smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1c(C(=O)NCc2ccco2)sc2ncnc(N3CCc4ccccc4C3)c12 2931587 PGLWXMUNVAKNLW-UHFFFAOYSA-N 404.495 4.085 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C(=O)[C@H](C)[C@H](C)C2 14692468 FLYXTLCSEZIBJX-VXGBXAGGSA-N 416.470 4.113 0 1 HIAF biogenic,in-vitro CN1CCN(c2ccc(Nc3ncc4ccn([C@H]5C[C@H]6CC[C@@H]5C6)c4n3)cc2)CC1 14954865 ACDIRSKTMRLXAX-SVMVAKDDSA-N 402.546 4.288 0 1 HIAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2CC(=O)c1c(C)n(C)c2ccccc12 20603571 GKOADABMGONHQA-UHFFFAOYSA-N 424.504 4.393 0 1 HIAF CN1CCC[C@H](n2cc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)c3cccnc32)C1 28862400 BHHPHVUPDJBAGA-HNNXBMFYSA-N 424.353 4.443 0 1 HIAF CCCCC(=O)N1C/C=C/[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 37867864 LXWIOYNCLXWINJ-NFOSPISASA-N 424.516 4.493 0 1 HIAF Cc1cc(Cl)cc2c1S(=O)(=O)N[C@H](C(=O)c1ccc3ccccc3c1)S2 40848916 XPBQTJKKSXHOFS-IBGZPJMESA-N 403.912 4.395 0 1 HIAF Cc1cc(CN2C(=N)NC(c3ccccc3)(c3ccccc3)C2=O)c(C(F)(F)F)o1 45167884 IUHCVTYGJFZREU-UHFFFAOYSA-N 413.399 4.417 0 1 HIAF Cc1cc(OCC2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)ccc1F 45229587 YLYWWVWYJSKNSP-UHFFFAOYSA-N 417.912 4.370 0 1 HIAF COc1ccc(Br)c(-c2nnc3n2N[C@H](c2ccccc2OC)S3)c1 73297083 IPRACHQKJMLFJC-INIZCTEOSA-N 419.304 4.073 0 1 HIAF CCCCOCCOC(=O)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(C)C 82082799 UFCVLBNVLUAEOX-SFHVURJKSA-N 419.547 4.001 0 1 HIAF Cc1cc2c(-n3cnc(-c4cnn(C)c4)c3)cccc2c(-c2ccc(C(N)=O)cc2C)n1 145457780 RDUDFSJZQMREIO-UHFFFAOYSA-N 422.492 4.204 0 1 HIAF COC(=O)[C@@]1(/C=C\[C@@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@@H]21 169351744 KAZMGBQDEYZMGJ-QAFPVLHSSA-N 409.320 4.297 0 1 HIAF C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3ccnc(OC4CCC4)c3)C2)cc1 169709810 CXKMUFARYATDAH-GAJHUEQPSA-N 421.541 4.258 0 1 HIAF COc1ccc2ncc(S(=O)(=O)c3ccc(F)cc3)c(N3CCC(C)CC3)c2c1 201537502 GGCXLSRFRRBGBB-UHFFFAOYSA-N 414.502 4.452 0 1 HIAF CN(C)CCOc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586976969 JEOJKBXXNDQSPI-UHFFFAOYSA-N 424.726 4.498 0 1 HIAF CC(=O)NCCc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586988190 GCUJXLWNAVCQSE-UHFFFAOYSA-N 408.457 4.497 0 1 HIAF c1ccc2c(c1)Sc1ccccc1N2CCc1nc2ccc(-n3cnnn3)cc2[nH]1 587041474 ZSNBLZXLQLPFEE-UHFFFAOYSA-N 411.494 4.384 0 1 HIAF O=C(NCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1cccc(C(F)(F)F)c1 587112191 PWPOVMKRLHSUSW-UHFFFAOYSA-N 403.282 4.410 0 1 HIAF Cc1cc(C)c2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352799 XSVQQTQWZHBYMY-URXFXBBRSA-N 403.409 4.355 0 1 HIAF COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402584 FKLWYARSJCONSU-RUZDIDTESA-N 417.461 4.338 0 1 HIAF COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1-c1ccccc1Cl 587419801 LYAHRPAYIFMUMH-IVZQSRNASA-N 423.852 4.415 0 1 HIAF COc1cc2c3c(c1)O[C@]1(Cc4ccccc4N(C(N)=O)c4ccccc41)[C@@H](C2)C3=O 587436952 WEKOGIWJDHUNFA-BVZFJXPGSA-N 412.445 4.111 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](CC=C(C)C)C(=O)c4ccccc41)[C@@H](C2)C3=O 587447025 KBILENMZHIDABM-VDABOFBKSA-N 402.446 4.076 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccc(C(=O)O)o4)c1)[C@@H](C2)C3=O 587455900 QXMLYFOKVFONKJ-JTSKRJEESA-N 406.390 4.054 0 1 HIAF CCOC(=O)Cn1c(C)cc2c1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587515412 MLCHUSLHTLVQMG-VWLOTQADSA-N 407.510 4.435 0 1 HIAF COc1ccccc1-n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587582049 NLDULZBVVJJZDD-ZJSXRUAMSA-N 414.417 4.289 0 1 HIAF COC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592283 JSCQCQLZSZDXKU-PFTWBPNJSA-N 404.418 4.058 0 1 HIAF CCOC(=O)[C@H](c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599640 YJBXPXWCBRQZEG-QTEQDKRBSA-N 404.418 4.069 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccn2Cc2ccccc2)N1 587754819 MVWYTKIHTFFCEZ-BFUOFWGJSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CN(C(=O)OC(C)(C)C)C2)N1 587759223 FGNKBSLWEKNGOO-ABAIWWIYSA-N 413.331 4.421 0 1 HIAF COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587806803 JMEBODKFHABRJB-YUNKPMOVSA-N 422.294 4.239 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2C[C@@H]2C(=O)O)N1 587825122 FUVMQUSUVUXZSB-OOGZCYTASA-N 404.279 4.087 0 1 HIAF COc1ccc(O)cc1[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962628181 ACZRIOFIBNLHIX-RLWLMLJZSA-N 400.522 4.411 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCc2nnc(N)s2)(c2ccccc2)N1 962955083 RQHBKKUYQRMKCZ-WAIKUNEKSA-N 403.555 4.402 0 1 HIAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc(Cl)n1 963199040 VPVDJZFCVVAPIF-XHDPSFHLSA-N 405.203 4.404 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2c(F)cccc2F)C(=O)OC)cc1 1772647837 WBTMHPKTYNZLOG-OYHNWAKOSA-N 419.468 4.353 0 1 HIAF COc1cc(OCC2CC2)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl 1857588113 XGEQTOQUSQBLGR-UHFFFAOYSA-N 413.905 4.289 0 1 HIAF C[C@@H]1CCCCN1CCCNCCc1ccc(CNCCCN2CCCCC2)cc1 1857746220 VKJBWMDBBXZFCL-XMMPIXPASA-N 414.682 4.049 0 1 HIAF Cc1cc(F)ccc1-c1cccn2[nH]c(=N[C@@H]3CCc4c(cnn4CC(C)C)C3)nc12 1857751779 ASBIYGBMBQYECQ-LJQANCHMSA-N 418.520 4.088 0 1 HIAF COc1ccc(-c2noc([C@@H](C)O)c2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 2356309302 WGIBPMOEHLULBL-QGZVFWFLSA-N 420.509 4.498 0 1 HIAF C[C@H](CO)[C@@H]1CC[C@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@@]3(CC[C@]12C)[C@@H]4CCC(=O)C5(C)C 2356465111 ZUDJUVFQGPNIMI-LFUGJLNHSA-N 400.559 4.305 0 1 HIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCCN(C)C 2356732182 CKUCLCVBSKPSGB-FSSWDIPSSA-N 408.627 4.098 0 1 HIAF CCCc1cc(-c2nc(N)ncc2-c2ccc3c(c2)OCCCO3)c(O)cc1OC 13129915 QEWSMKBZMDFIQA-UHFFFAOYSA-N 407.470 4.221 0 1 HIAF COc1cc([C@@H]2COc3cc(OC)c4c(c3[C@H]2O)CCc2cc(O)ccc2-4)ccc1O 13378529 DARDHUFDRYDZMZ-BVZFJXPGSA-N 420.461 4.090 0 1 HIAF biogenic COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCC1CCCCC1)C(C)(C)C)CC2 13588132 LINUTILUQQLJPE-JOCHJYFZSA-N 402.579 4.173 0 1 HIAF CN(CCc1ccccc1)C(=O)Cc1cc(CC(=O)O)cc(OCc2ccccc2)c1 13758637 NIWDNDWVAFQDFC-UHFFFAOYSA-N 417.505 4.136 0 1 HIAF COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H]1[C@@H](O2)OC(C)(C)[C@@H]1OC(C)=O 14610777 XMJHOTVIJNLONQ-WWNPGLIZSA-N 422.433 4.011 0 1 HIAF biogenic C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCCC1 27618008 OOFOACXCPZFTFT-HNNXBMFYSA-N 400.906 4.448 0 1 HIAF CC(C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 28523120 VVNPWPROCJEJMN-UHFFFAOYSA-N 406.438 4.398 0 1 HIAF O=C(O)C[C@@H]1[C@H](c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)C1(Cl)Cl 28648257 DGHLGBHZIKLZQQ-MJGOQNOKSA-N 421.324 4.423 0 1 HIAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cccc(CO)c21 28952254 WWMFSJQCLRRNSR-UHFFFAOYSA-N 406.530 4.320 0 1 HIAF COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 29128987 QCFZUTYIUYQTPW-JOCHJYFZSA-N 405.485 4.171 0 1 HIAF O=C(CSc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1)c1ccc(Cl)cc1 40917719 DICMHZYQHKOOTJ-UHFFFAOYSA-N 406.841 4.267 0 1 HIAF O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ncccc2-c2n[nH]cc2[C@@H]1C1CC1 45259206 DCRNJLSTBCJOLV-KRWDZBQOSA-N 420.416 4.151 0 1 HIAF O=C(O)[C@@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2ccccc21 45364154 OWHGPTIAUNTCGK-NCNALHRDSA-N 408.542 4.126 0 1 HIAF C[C@H](CN1CCC(n2nnc3ccccc32)CC1)NC(=O)c1ccc2ccccc2c1 72135645 PVPMLGFHZWEOQF-GOSISDBHSA-N 413.525 4.040 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc(F)cc1 82140878 SHUWISQYHVQCAA-CQSZACIVSA-N 422.460 4.152 0 1 HIAF Cc1ccc(CCNc2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)cc1 82152065 BCACTSNSRWFQQE-UHFFFAOYSA-N 404.489 4.482 0 1 HIAF CSCCc1nc2nc(N3CC=C(c4ccc(Cl)cc4)CC3)ccc2[nH]c1=O 82231768 DMLACUONYHQDPJ-UHFFFAOYSA-N 412.946 4.171 0 1 HIAF Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)/C=C/c1cncnc1 84687906 DLICNBDXFXRCRL-XVNBXDOJSA-N 410.836 4.482 0 1 HIAF COc1ccc(-n2cnc3c(sc4ncnc(Nc5cccc(F)c5)c43)c2=O)cc1 95562924 SLNJFRDFDZTYFR-UHFFFAOYSA-N 419.441 4.282 0 1 HIAF CCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175327 KNNBOUJMARSVFB-HNAYVOBHSA-N 410.539 4.149 0 1 HIAF CN(C)C(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C 143822872 BKEHJVQKSUYYDE-UHFFFAOYSA-N 414.513 4.199 0 1 HIAF C=[S@@](=O)(NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)c1ccccc1 169690299 LFKNOSGTSPOGOH-SANMLTNESA-N 409.294 4.377 0 1 HIAF CCCn1c(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2[nH]cccc-2c1=O 169727420 NSMVIBKKVPJRQH-UHFFFAOYSA-N 410.481 4.129 0 1 HIAF COC(=O)c1ccc2[nH]c([C@H]3C(=O)Nc4c(Br)cccc43)c(N=O)c2c1 169729501 PZBIEAMWQJHGEF-ZDUSSCGKSA-N 414.215 4.199 0 1 HIAF COC[C@@H]1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1 207368466 WSVNIAQPDBBVAE-SFHVURJKSA-N 400.486 4.150 0 1 HIAF COc1cc(-c2cnc(C)n2C)ccc1Nc1cc2cc(C(=O)N(C)C)ccc2cn1 207748181 KDWFCINDKGCDFP-UHFFFAOYSA-N 415.497 4.398 0 1 HIAF CC(=O)OC[C@H](OC(C)=O)[C@]1(C)C[C@@H](O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 238757395 GCXYZMBESPRGQQ-RQOJZXTJSA-N 424.578 4.022 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586917780 UZBUPTSXIMLQLB-DYZYQPBXSA-N 410.783 4.193 0 1 HIAF O=[S@@](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)C(c1ccccc1)c1ccccc1 586960346 OYBARJXEOFYOGW-LJAQVGFWSA-N 416.428 4.362 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cccc(OCc4csc(C)n4)c3)nc2cc1OC 587020218 IGKVXNVOACVVBV-UHFFFAOYSA-N 409.467 4.369 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCn3c(O)nc4cccc2c43)[C@H]1c1ccc(F)cc1 587351218 ZHOWDLUKVIXZEJ-RDPSFJRHSA-N 416.408 4.245 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@H]1CCCO1)O2 587370059 AVAPEZZVBMBLNS-UYAOXDASSA-N 402.288 4.379 0 1 HIAF CCOC(=O)C1CCN(c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587396912 WYMGAHLJESGXFQ-QFIPXVFZSA-N 408.498 4.063 0 1 HIAF Cn1ccnc1[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571355 NFRUBYZERQLAKC-GBXCKJPGSA-N 416.408 4.170 0 1 HIAF C/C(=C\[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587572512 PQCQMPUCJMPDLE-OFLKIAERSA-N 402.450 4.110 0 1 HIAF COCc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587591001 FFPKKUQMUBNEEC-QPPBQGQZSA-N 406.434 4.424 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCCN(C)C)c2)N1 587741181 MFBVPXYDQLDOMH-QKKBWIMNSA-N 421.354 4.326 0 1 HIAF COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587808490 QJLZXDXTJIYWLX-MGNBDDOMSA-N 408.267 4.007 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)s2)N1 587852145 DKOMPHBWJPUETN-INWYIAFRSA-N 406.118 4.431 0 1 HIAF CCN(C(C)=O)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587853060 ORPVSZOWTNNSCQ-JDNHERCYSA-N 412.328 4.041 0 1 HIAF Nn1c(SCC(=O)c2cccs2)nc2cc(-c3ccc(F)cc3)sc2c1=O 957656332 PXVYCLUAECBYBK-UHFFFAOYSA-N 417.512 4.014 0 1 HIAF COC(=O)[C@H](n1cccc1[C@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1C)C(C)(C)C 962641382 SCGWOTYFIBWYAP-ARBPTSGCSA-N 414.546 4.231 0 1 HIAF Cc1ccc2c(c1)[C@@]1(CC(=O)O2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962645894 TVBRBPRRFHFXDX-WXVAWEFUSA-N 410.517 4.295 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](c2ccccc2)(C2CC2)N1 962926891 NVBUYIIULLCURF-UKILVPOCSA-N 401.462 4.437 0 1 HIAF COc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@@]21NCCc2c(C(=O)O)cccc21 963128064 ZOLJSXFHMNZSSR-NOZRDPDXSA-N 401.462 4.307 0 1 HIAF Cc1c2c(cc3c1N(C)C(=O)C3=O)-c1ccccc1O[C@H]2CC(=O)Nc1ccccc1 1772620808 AAIDELZHTBZXGA-FQEVSTJZSA-N 412.445 4.283 0 1 HIAF CCCCN(C)c1c(C)nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn12 61898750 WAYKPTUPSXQLSE-UHFFFAOYSA-N 403.530 4.333 0 3 HIAF CC(C)C[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC(C)(C)C)C1=O 203463995 CIMJQZDWASJRLO-HXUWFJFHSA-N 405.542 4.200 0 3 HIAF Cn1c(=O)oc2cc([C@@H]3CCC(=O)N3Cc3csc(-c4ccccc4)n3)ccc21 1624929 BCARQUSEFZIXEH-KRWDZBQOSA-N 405.479 4.119 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c(C)c2c1 2459883 ADSARGRPFNQWAA-DOXZYTNZSA-N 420.575 4.326 0 1 HIAF CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1N 4036693 OFEYQCKEDOLAPU-ISKFKSNPSA-N 415.493 4.076 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295884 PHFXWLKDVFDSCF-YBGRSWKWSA-N 418.896 4.094 0 1 HIAF CC(=O)c1ccc(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3)C2)s1 12058031 HWUPFKGRJMIXHC-QFIPXVFZSA-N 400.519 4.218 0 1 HIAF O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4cncnc4)cc3)ccc21 14977022 NDYAVUSEOIDPAZ-IBGZPJMESA-N 404.466 4.496 0 1 HIAF CCCOc1ccccc1C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 28571768 FZFBIJQQPYOEKT-HSZRJFAPSA-N 413.477 4.021 0 1 HIAF CCc1nnc(-c2cn3ncnc(Nc4cnc5[nH]c(C)cc5c4)c3c2C(C)C)o1 29047420 PIOUCPYCCSJSEY-UHFFFAOYSA-N 402.462 4.393 0 1 HIAF CC(C)(C)c1ccc(C(=O)NC(=O)Nc2cccc([C@@H]3CN4CCSC4=N3)c2)cc1 29395890 RFTUWUSCHKVPJN-IBGZPJMESA-N 422.554 4.406 0 1 HIAF O=C(O)Cc1cn(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccncc1 96270523 ZIVCNQCTWXONIK-UHFFFAOYSA-N 405.404 4.488 0 1 HIAF COc1cc([C@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)cc(OC)c1OC 103273631 YWKTYGMXVAYERH-OAQYLSRUSA-N 419.481 4.267 0 1 HIAF Cc1noc(-c2c(NC(=O)C3=C(C(=O)O)C4CCC3CC4)sc(C)c2C2CC2)n1 147057398 DYYABJJPSJWVTP-UHFFFAOYSA-N 413.499 4.432 0 1 HIAF CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H]2OC[C@@]2(CCCc2ccccc2)C[C@H]3[C@H]1C5 169290811 AFNNIVJCAOZVSR-NQUAJUJASA-N 417.549 4.079 0 1 HIAF COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169694941 JVBFQJWVXHSZFN-OALUTQOASA-N 411.523 4.306 0 1 HIAF COC(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586998868 QUYIDINLHJAAGP-HWKANZROSA-N 401.216 4.011 0 1 HIAF COc1cc(OC)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 586999274 XWGTUBZLLYVCRZ-ARJAWSKDSA-N 403.232 4.242 0 1 HIAF O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Cl)cc(F)c2[nH]1 587000577 QYJHDLZJOCMRPJ-UHFFFAOYSA-N 424.657 4.086 0 1 HIAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ncc[nH]c-4n3)cs2)cc1 587014100 KJYXHERHYRASIF-UHFFFAOYSA-N 408.487 4.366 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(C(=O)O)c3[nH]1)N2 587030424 DUXMPJKBRVKCTQ-QVASGMJFSA-N 414.512 4.388 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(C)cnc(Cl)c3[nH]2)cc1 587041788 GFGSLZFGVNTFIE-AWEZNQCLSA-N 402.907 4.206 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@@H](CN)Cc3ccc(Cl)cc3)nc2c1 587069327 IUANHVVNULHJKO-GFCCVEGCSA-N 422.710 4.050 0 1 HIAF FC(F)(F)Oc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587119424 XEPSJCDBXNNZJY-UHFFFAOYSA-N 417.269 4.380 0 1 HIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c(Br)ccnc2[nH]1 587120575 PJJITXFBBVRAOF-UHFFFAOYSA-N 400.080 4.148 0 1 HIAF Cc1c(F)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1F 587132925 LSQGYCKXMXZNCE-UHFFFAOYSA-N 405.573 4.470 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1cnccn1)c1ccccc1 587587626 NOHMXQYHWTXBCP-RCZVLFRGSA-N 410.429 4.282 0 1 HIAF CN1C(=O)CCc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587594590 MZKRHOWFZXBJHY-RDGATRHJSA-N 415.445 4.178 0 1 HIAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2nsnc12 587618323 NSGOLFAOLSLYQT-VGOFRKELSA-N 419.462 4.166 0 1 HIAF COc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587746421 ZNUCDHICWCRESK-FKIZINRSSA-N 421.310 4.375 0 1 HIAF CCO[C@H](C)c1ccc([C@]2(CN)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587750294 SNLONQLVWWXIIF-LKBUQDJMSA-N 421.354 4.422 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C(=O)OC(C)(C)C)c2)N1 587762338 XNJVGEIDLFAJQW-QFYYESIMSA-N 410.287 4.192 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cnn(C)c2)N1 587766338 VIUFCJPGQPCCFW-ZUOKHONESA-N 400.295 4.148 0 1 HIAF CCCOc1cc2nc(-c3ccccc3CC(=O)OC)[nH]c2cc1Br 587783603 WOGIXVZUWGFKBQ-UHFFFAOYSA-N 403.276 4.497 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587825944 CLDUTDWODBIFGT-HOGDKLEQSA-N 408.267 4.302 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(-n2nc(C)cc2C)nn1 587863202 UJPMWRHKTWCGLE-UHFFFAOYSA-N 414.391 4.159 0 1 HIAF COC(=O)c1c(C)[nH]c2c1[C@@]1(CCC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962699477 IIXOTZZIQCQNCV-IQMFZBJNSA-N 414.546 4.192 0 1 HIAF CCOC(=O)c1cccc([C@@H]2CCC[C@]3(C2)N[C@H](C(=O)O)Cc2cccc(F)c23)c1 962900397 QITQXBBWVKQKDS-LJFZDNNRSA-N 411.473 4.154 0 1 HIAF COCCn1c([C@H]2c3ccsc3CCN2Cc2cccnc2)nc2ccccc21 963006547 IZXCSPGMNXMMOP-JOCHJYFZSA-N 404.539 4.287 0 1 HIAF CN1C(=O)C[C@H]2CN[C@@](CCCCC(=O)O)(c3ccc(Cl)cc3)c3cccc1c32 963030563 QZHKTWRQVYSSFY-WNSKOXEYSA-N 412.917 4.282 0 1 HIAF COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c(Cl)n1 963189546 WXLXYMRQBHEQGP-OCCSQVGLSA-N 421.202 4.104 0 1 HIAF O=C(Nc1ccccc1)c1ccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963231857 RPQOLYGASBKYTL-BJKOFHAPSA-N 423.472 4.175 0 1 HIAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(NCC(C)(C)O)c3)cc2)c1 1857607714 JXFKQDKAFYHLDD-QGZVFWFLSA-N 419.525 4.431 0 1 HIAF OCC[C@@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1 1857744908 KNDFCMIZUQCXIF-MYIFBMMKSA-N 412.618 4.099 0 1 HIAF O=C(NCCN1CCCCC1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 1857769697 KQSAKJCTJMLZKY-UHFFFAOYSA-N 409.917 4.477 0 1 HIAF Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2ccncc2)no1 206015923 WNHTZYOQCYNMMH-IBGZPJMESA-N 408.433 4.137 0 3 HIAF O=C(NCCCN1CCc2ccccc2C1)c1ccc2c(c1)ncn2C1CCCC1 2933252 AXFHZBAATODLLZ-UHFFFAOYSA-N 402.542 4.330 0 1 HIAF CCC(=O)Oc1c2c(c(COC(C)=O)c3c(C)coc13)[C@@H](C)C[C@H](OC(C)=O)C2 13300449 RKEUCAIBENNROK-NHYWBVRUSA-N 402.443 4.101 0 1 HIAF biogenic Cc1c([C@@H](O)c2ccccn2)oc2cccc(OCCCNCc3cccnc3)c12 13479544 FJGCNQALXGWFCZ-QHCPKHFHSA-N 403.482 4.172 0 1 HIAF O=C(SCCCc1ccccc1)[C@@H]1[C@H]2CC[C@H](C2)N1S(=O)(=O)c1ccccc1 13554302 DQEFPMAYIWMEDM-ZVDOUQERSA-N 415.580 4.121 0 1 HIAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(Cl)c2-c2ccccc2)nc1 13588364 IICKIGHIYRLUSO-UHFFFAOYSA-N 401.797 4.010 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1C[C@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 25990327 GDBHWWGVCRIESX-XBUBOJNLSA-N 406.563 4.255 0 1 HIAF CC[C@H](C)[C@@H](/C=C/c1ccncc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccccc1 26748742 NKNSQYFKKJCNLE-OLZPZJBOSA-N 419.569 4.363 0 1 HIAF COc1cc2c(cc1OC)C(C)(C)CO[C@H]2CCN1CCN(c2ccccc2)CC1 27882056 UGNQQNFIGBOZIT-QFIPXVFZSA-N 410.558 4.265 0 1 HIAF CC(C)(C)OC(=O)N(Cc1ccco1)S(=O)(=O)c1ccccc1Br 36382960 CYVABGOZAURJMU-UHFFFAOYSA-N 416.293 4.168 0 1 HIAF Cc1ccc(S(=O)(=O)N(CCCNCc2cccc(O)c2)c2ccccc2)cc1 45187942 FYTUXBABZRTBSH-UHFFFAOYSA-N 410.539 4.076 0 1 HIAF CCn1c2ccncc2c2cc(NS(=O)(=O)c3ccc(OC)c(OC)c3)ccc21 64549660 FZTGBEBBFIFSKT-UHFFFAOYSA-N 411.483 4.027 0 1 HIAF COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Br)cc3)C[C@H]2C)cc1 72103627 QKJICQXHWUJCOQ-ACJLOTCBSA-N 417.303 4.085 0 1 HIAF O=C(N1CCCCC1)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72184694 UNIFPOREDOQZMZ-QFIPXVFZSA-N 412.965 4.484 0 1 HIAF CCCc1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@@H]1CCCN1C 82180054 BZJPLGGWSVKDNQ-FQEVSTJZSA-N 406.578 4.308 0 1 HIAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO 95877375 IYIZTPMKRSYPHV-RJWMVNQGSA-N 416.496 4.411 0 1 HIAF COc1ncccc1-c1cccn2nc(Nc3ccc(C4CCNCC4)cc3)nc12 96169777 XCAHFWQHLZXNDH-UHFFFAOYSA-N 400.486 4.011 0 1 HIAF C/N=c1\scc(-c2cc(OC)ccc2OC)n1N/C=C1\C(C)=Nc2ccccc21 100587295 HKMYOYOKCMICRV-PUGVQKEDSA-N 406.511 4.455 0 1 HIAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c3c(N)ncnn32)C1 100619114 VNBAPWAHYONUPY-XLOAEROZSA-N 421.888 4.448 0 1 HIAF CC(C)(C)CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O 141960209 UDTXPRTYCWSBIQ-UHFFFAOYSA-N 413.345 4.133 0 1 HIAF O=C(NCCc1ccccc1F)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 165948124 OYUWZBKBVQQCAG-UHFFFAOYSA-N 403.457 4.346 0 1 HIAF CC(C)CC(=O)N1CCC[C@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166535791 VHCZNBKXHGQPOY-QFIPXVFZSA-N 422.529 4.045 0 1 HIAF O=C(O)c1ccc(-c2ccc(CNS(=O)(=O)c3cc4ccccc4[nH]3)cc2)cc1 203656596 DUIUDFJWVOCDQY-UHFFFAOYSA-N 406.463 4.012 0 1 HIAF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1cccc([N+](=O)[O-])c1)CC(C)(C)CC3 218324739 KZUGFMORYINOHI-GOSISDBHSA-N 422.485 4.091 0 1 HIAF C[C@@H](NC(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(F)(F)F 224786974 JUKDSCRWMDUHBH-LLVKDONJSA-N 404.367 4.213 0 1 HIAF Cc1ccc(-n2cnnc2SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1Cl 586967625 BZUSARSAQXPPRZ-UHFFFAOYSA-N 424.917 4.282 0 1 HIAF COc1nccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 587054541 IEHCNAIQSZKFLJ-UHFFFAOYSA-N 401.253 4.150 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCC4)O2 587409331 RNBDLNDXQUUFBF-HWRSSNJWSA-N 419.477 4.364 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C 587519161 VNVXAFLVOGOJMB-PKOBYXMFSA-N 401.503 4.271 0 1 HIAF COc1ccccc1N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580638 CJUCQFROCMGUNY-XUZZJYLKSA-N 403.434 4.012 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCN(C(=O)c1ccccc1)C2 587584358 XCJDUIJMLLEERA-SQJMNOBHSA-N 415.445 4.029 0 1 HIAF CC[C@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596696 QYUVVNVCDHLOBL-XUZZJYLKSA-N 420.417 4.123 0 1 HIAF COc1ccc(OC)c2c1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602746 YOTNGQVADYBBOF-ZJSXRUAMSA-N 404.418 4.213 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCSCC2)o1 587620599 ZWCCZIAVVJRFJC-NFBKMPQASA-N 423.490 4.237 0 1 HIAF COC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623158 ZUCGUTSNTISMMX-UHFFFAOYSA-N 402.223 4.328 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587740705 FCVSKAOECIACTJ-BIBXISHDSA-N 421.310 4.353 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCN(C)C)(c2ccc(O)cc2)N1 587741427 NCZDKKBVOFAGDK-RBZFPXEDSA-N 407.327 4.023 0 1 HIAF CC(=O)N(C)c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587744474 BITSDSJQAKCESC-FKIZINRSSA-N 405.311 4.369 0 1 HIAF CCCCn1c(O)nc(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1=O 587860462 XJQNTYPSODFHOQ-UHFFFAOYSA-N 423.300 4.307 0 1 HIAF CCCN1C(=O)c2ccccc2N[C@H]1c1nc(C(=O)OC)cc2c1[nH]c1ccccc12 653747923 CDRIAUCEFLOZKZ-JOCHJYFZSA-N 414.465 4.479 0 1 HIAF O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccccc1 653857031 OQLAERCQJVOEON-ZYQDXHPFSA-N 407.602 4.092 0 1 HIAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)ccc1OCC(F)F 962640540 RFRLLXWOJZDIQY-YEJXKQKISA-N 407.457 4.322 0 1 HIAF CC(C)[C@@]1(CCc2cccc(N)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957878 CSIODTRSWZSNRV-LAUBAEHRSA-N 408.876 4.283 0 1 HIAF c1cc(C2OCCO2)cc([C@@]2(C3CCCCC3)NCCc3nc4ccccn4c32)c1 962984605 FBNPHAPUHHFUQJ-RUZDIDTESA-N 403.526 4.349 0 1 HIAF CCOc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1OC(C)C 963233677 POLXVFAZNUCZCA-REWPJTCUSA-N 406.482 4.109 0 1 HIAF CO[C@@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C 2356507799 HNYWCLCFGNCFCF-OSXXGASWSA-N 420.590 4.152 0 1 HIAF O=C(N/C=C/c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2ccccc12 3872148 CNFDLPADVYGTJH-BQYQJAHWSA-N 408.255 4.382 0 1 HIAF C[C@@H]1CCCC[C@@H]1N(C)C1CCN(CCCNC(=O)/C=C/c2cccs2)CC1 20241368 JULDRBVVYBVBBQ-MIYJXHNBSA-N 403.636 4.243 0 1 HIAF Cc1oc(-c2ccccc2)nc1[C@@H](O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 26575840 VDPUTXRAMMGAED-PBXDPIQXSA-N 422.462 4.086 0 1 HIAF Cn1c(-c2ccc(NC(=N)N)cc2Cl)ccc1-c1ccc(NC(=N)N)cc1Cl 28469236 KUTSQFHGXNYYAQ-UHFFFAOYSA-N 416.316 4.277 0 1 HIAF Cc1ccc(CNC(=O)c2[nH]cnc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 28528507 RHZMTCAYDDSXEB-UHFFFAOYSA-N 403.269 4.207 0 1 HIAF Cc1cc(Nc2nc(-c3cc(Br)ccc3F)nc3nccnc23)ccn1 28822265 SMVUGQWYFJJCKA-UHFFFAOYSA-N 411.238 4.435 0 1 HIAF CCO[C@H](CNCc1ccc(Cl)c(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1 40897473 KEGDKEUNEDECPK-OAHLLOKOSA-N 420.340 4.442 0 1 HIAF Cn1c(-c2ccc(C(N)=O)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 71315860 XRKNMGUUBWDXPL-UHFFFAOYSA-N 401.297 4.358 0 1 HIAF COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccc(F)cc3)n2)cc1 82195409 APTKTHLIBLMKQD-FQEVSTJZSA-N 411.502 4.243 0 1 HIAF C[C@@H](O)c1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 96933201 MRBWGNISLLFDCV-SSDOTTSWSA-N 419.190 4.361 0 1 HIAF Cc1cccc2c1C1(C=C2)CCN(S(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)CC1 100640448 SWFQTCOREPWUNL-YADARESESA-N 413.583 4.081 0 1 HIAF Cc1nc(-c2cc(-c3ccc(C(=O)Nc4c(F)cccc4F)s3)n(C)n2)no1 114457449 JEUFZNLGKWYQKO-UHFFFAOYSA-N 401.398 4.038 0 1 HIAF Cc1cc(C)cc(-c2nc3ccc(N4CCNC(C)(C)C4)nn3c2-c2ccncc2)c1 140202560 UUTJRZYKEQWDLF-UHFFFAOYSA-N 412.541 4.263 0 1 HIAF CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1 169311829 YDOVOPCISVCLEX-ONEGZZNKSA-N 405.886 4.284 0 1 HIAF O=Nc1c([C@H]2C(=O)Nc3cc(I)ccc32)[nH]c2ccccc12 169685102 ZMTFCRAERVFMKE-ZDUSSCGKSA-N 403.179 4.254 0 1 HIAF Oc1cccc2c1OCC(c1nc3c(Br)ncc(Br)c3[nH]1)=C2 586907142 DYEFFMDHVBOSOR-UHFFFAOYSA-N 423.064 4.122 0 1 HIAF Nc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1N 586999608 CGQRTJNULQYVSU-UHFFFAOYSA-N 409.291 4.164 0 1 HIAF Cc1csc([C@](O)(Cc2nc3cc(Br)c(F)cc3[nH]2)C(F)(F)F)n1 587093722 GGVUMUVLNACORX-CYBMUJFWSA-N 424.217 4.222 0 1 HIAF CCOC(=O)C(C(=O)OCC)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587095779 APOMXYRHVHMDCG-UHFFFAOYSA-N 417.461 4.273 0 1 HIAF CCOC(=O)[C@@](C)(OC(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097581 RIGHYBIRKSRAAI-DEOSSOPVSA-N 403.434 4.096 0 1 HIAF OCc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 587120356 ZQRHJUCVEBXUFI-UHFFFAOYSA-N 409.371 4.451 0 1 HIAF N[C@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1F 587142881 PDTSAYGXUGNZNN-MRVPVSSYSA-N 406.152 4.263 0 1 HIAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587334935 NFXJQUUMONPPJV-JTHBVZDNSA-N 408.356 4.234 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335222 OEDPDQRZSGVVPW-QPPBQGQZSA-N 424.399 4.488 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cncc1Br 587573136 XXGFBHGLRMFKDM-APWZRJJASA-N 416.202 4.392 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]ccc2=NC(=O)C(C)(C)C)N1 587740766 FHYRMKIWXYVHHR-BBATYDOGSA-N 420.326 4.013 0 1 HIAF CCOC(=O)CC[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587771315 BVRWFQPGHUBILS-RNODOKPDSA-N 421.310 4.104 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1C[C@H]2CN(Cc2ccccc2)C1 587776670 XXKNXTKOIILJRN-WBAXXEDZSA-N 415.350 4.470 0 1 HIAF CCOc1ccc(OCC)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587778804 UGCBDUKOCVWXCM-UHFFFAOYSA-N 414.405 4.321 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 587780517 BQOLEQCCTNMEHM-YVMONPNESA-N 401.260 4.342 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587792237 BCZRNTRRHGVXEF-MPBGBICISA-N 422.294 4.025 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1cc(Cl)c(C)n1 587868014 HOGZEHPMJXYVSB-SNVBAGLBSA-N 413.787 4.032 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)C(F)(F)F)cc1 587871408 VXDWVHDLJQQURT-UHFFFAOYSA-N 414.380 4.371 0 1 HIAF CCOc1cc(-n2c(O)cc(-c3ccc(OC)cc3)c2O)c(Cl)cc1C(=O)O 587942074 UOQYOHXRXDRKTE-UHFFFAOYSA-N 403.818 4.314 0 1 HIAF COc1cccc2c(NCCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 653797975 YMXLYCPBTPMFCJ-UHFFFAOYSA-N 410.481 4.214 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@@](C[C@@H]2CCCCCN2)(c2ccccc2)N1)C(F)(F)F 962763269 JYNFOYOPTAFLJB-IEIRFRATSA-N 416.487 4.498 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2nc3c(s2)C[C@H](c2ccccc2)CC3)N1 962913131 QPVMFQCCTGLCKB-YMTYPPQLSA-N 408.498 4.243 0 1 HIAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1CC[C@H](C)CO1 1772636685 SUECNHKSTARKJF-GUYCJALGSA-N 416.522 4.037 0 1 HIAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 2356345443 RARJQAOGTFMPFZ-HIUFNZKISA-N 402.572 4.406 0 1 HIAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@H]2[C@@H]1O 2356603505 JIMBNUYQTGVXSH-FCLDRVBOSA-N 422.654 4.235 0 1 HIAF O[C@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(CCCc2ccccc2)C1 2356812259 BIYUVYVCJJFFGI-OALUTQOASA-N 417.431 4.496 0 1 HIAF CCOC(=O)c1cn(-c2ccc(F)c(F)c2F)c2c(F)c(F)c(F)cc2c1=O 2050035 AIGQYWRPXHOOPU-UHFFFAOYSA-N 401.262 4.002 0 3 HIAF c1ccc(CN2CCC(Nc3ccccc3)(c3nnnn3Cc3ccccc3)CC2)cc1 5582210 BIEFAJJYFCAXBU-UHFFFAOYSA-N 424.552 4.325 0 1 HIAF Cc1c(C2=CCN(CCN3CCNC3=O)CC2)c2ccccc2n1-c1ccc(F)cc1 13731222 QNKNONFOUXSKRI-UHFFFAOYSA-N 418.516 4.192 0 1 HIAF Oc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1 14945414 RWHWILFMZJUQKK-UHFFFAOYSA-N 407.493 4.285 0 1 HIAF CCC(=O)N(c1ccc(Br)c(Br)c1)[C@H]1CCC[C@H]1N(C)C 28237916 HXEHMPLACPOMPI-CABCVRRESA-N 418.173 4.437 0 1 HIAF CC1(C)OC[C@H](NC(=O)Cc2ccccc2Br)[C@H](c2ccccc2)O1 28381172 IDSWRMBDHAKWJA-HKUYNNGSSA-N 404.304 4.001 0 1 HIAF Fc1cc(F)cc(Nc2ncccc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)c1 28530326 SEGRIDZHCWLQHY-UHFFFAOYSA-N 408.368 4.361 0 1 HIAF NCCCCCN(Cc1ccc2c(c1)OCO2)C(=O)CCCc1c[nH]c2ccccc12 28825917 KCBYGHZJZXZHQZ-UHFFFAOYSA-N 421.541 4.377 0 1 HIAF Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)Nc1ccccc1 29037981 PWIBKEWBERRHGJ-UYAOXDASSA-N 412.555 4.448 0 1 HIAF CCN(CC)CCCOc1ccc(/C=C2\CCn3c2nc2ccccc2c3=O)cc1 40913425 PBXZYLMZCIWSJI-CZIZESTLSA-N 403.526 4.452 0 1 HIAF COc1cc(-c2coc3cc(O[C@@H]4CCCCO4)ccc3c2=O)cc(OC)c1OC 45286981 NGWXLUVKIAOYCX-OAQYLSRUSA-N 412.438 4.391 0 1 HIAF COc1ccccc1CN[C@H](c1nc(-c2ccccc2)c(N2CCOCC2)o1)C1CC1 72186191 VGPFABYLSJTEJP-QFIPXVFZSA-N 419.525 4.428 0 1 HIAF Nc1nccc2occ(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c12 95557013 XSKKJZREOBORCM-UHFFFAOYSA-N 405.404 4.487 0 1 HIAF Cc1ccc(-c2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)nc2-c2ccc(C)cc2)cc1 101431911 VLZDPPKDNMXZLN-OYRHEFFESA-N 401.510 4.461 0 1 HIAF C[C@H]1COc2c(CNc3ccc(Cl)cc3)c(F)cc3c(=O)c(C(=O)O)cn1c23 146697217 LYLPQKKKTUJYHJ-JTQLQIEISA-N 402.809 4.058 0 1 HIAF COc1c(Cl)c(C)cc(O)c1C(=O)c1cccc(O/C=C\[C@@H](C)C(=O)O)c1C=O 238786722 GAZYEUATOWFTEU-SKVAFPRGSA-N 418.829 4.019 0 1 HIAF CCOC(=O)[C@@H]1[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C 253684032 FRGNNZYHLRTEQP-YSFYHYPLSA-N 415.480 4.485 0 1 HIAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@@H]3[C@H](O)[C@]21C 504714281 LFQOBUGWTJTTGE-DCSMYYRPSA-N 423.597 4.226 0 1 HIAF biogenic COC(=O)c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cn1 586976004 RHSFLYTTXIMGFU-UHFFFAOYSA-N 401.047 4.481 0 1 HIAF Nc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1N 587119431 CNTCIYKACAFFGC-UHFFFAOYSA-N 409.375 4.123 0 1 HIAF C[C@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128472 MPTLIZHBFJWFKK-SCSAIBSYSA-N 402.739 4.479 0 1 HIAF Cc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br 587151445 ZPOQRZABFUSZKX-GFCCVEGCSA-N 420.257 4.428 0 1 HIAF Nc1cc(C(=O)O)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 587249979 VFRSVPABFXIKGD-UHFFFAOYSA-N 411.053 4.035 0 1 HIAF COC(=O)CC[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587372802 RITZVQIRVOZGDU-HXUWFJFHSA-N 418.287 4.154 0 1 HIAF CCCCCS(=O)(=O)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587451765 ZQOBWGUBMMGMKI-XMSQKQJNSA-N 400.496 4.148 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 587484952 HHWNUDOIJCUQFT-KNUWZQJKSA-N 401.503 4.326 0 1 HIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOC(C)=O 587525920 WNQQQMPNSCPLCL-QFIPXVFZSA-N 410.466 4.222 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1-n1cccn1 587558115 QCHXXRQHVRTJDF-WMZHIEFXSA-N 402.381 4.420 0 1 HIAF Cc1ccncc1[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584549 AYYKOBQTFWEDNN-RDGATRHJSA-N 410.429 4.396 0 1 HIAF CC(C)(C)OC(=O)N1CC2(CC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 587597452 VIYAHJGNNAEUBY-HOYKHHGWSA-N 423.465 4.124 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606787 DPNCDUVCIZEWSP-XUZZJYLKSA-N 404.418 4.431 0 1 HIAF C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612480 UYLLNJLFLYMEIS-FCDRKTINSA-N 404.418 4.330 0 1 HIAF CCCCN(CCCC)c1ccc(-c2nn(CC(=O)O)c(=O)c3ccccc23)c(O)c1 587659960 AEALMIHDKUEQJY-UHFFFAOYSA-N 423.513 4.260 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587745176 VPCBJLXVONUHGY-YBTHPKLGSA-N 419.294 4.107 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc(C(=O)O)c23)N1 587805204 SJJCNUHMEHKRMD-YYSFKGJASA-N 403.251 4.391 0 1 HIAF CSc1ncc2c(n1)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587844237 LDJJIXPVVGZNQX-MGNBDDOMSA-N 408.340 4.214 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Br)c[nH]1 587861472 QWKJEXLGPGDTKN-UHFFFAOYSA-N 414.181 4.357 0 1 HIAF COc1ccc(-c2ccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c(O)c2)cc1OC 587928062 XWGSYLVNWJAEFJ-NRFANRHFSA-N 404.426 4.343 0 1 HIAF O=C(/C=C\c1cccc(O)c1)N1N=C(c2ccncc2)O[C@@H]1c1c[nH]c2ccccc12 653721978 YGGZCFCZCZGCMR-XXXZYALBSA-N 410.433 4.201 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)C1(CCC3(CCCN3Cc3ccccc3)CC1)NCC2 962934157 VEWYXKRATCEQGI-UHFFFAOYSA-N 417.597 4.338 0 1 HIAF Cc1cccn2cc(COc3ccc([C@H]4NCCc5c(C(=O)O)cccc54)cc3)nc12 963121964 MJFPXGQHQNKEQM-HSZRJFAPSA-N 413.477 4.155 0 1 HIAF Cc1cc2c(cc1O)[C@](c1ccc(Cl)nc1)(c1c(C)cccc1C)N[C@H](C(=O)O)C2 963489839 IAHNOBVYRWQWRV-YADARESESA-N 422.912 4.257 0 1 HIAF CC(C)Cc1cc(CNC(=O)[C@@H]2[C@H]3CN(CCC(C)(C)C)C[C@H]32)nn1-c1ccccc1 1857607928 DOKOGLOPIXTMOO-UBRQYEGLSA-N 422.617 4.301 0 1 HIAF CN(C(=O)[C@@H](CC(N)=O)Cc1ccccc1)c1nc(-c2ccccc2Cl)cs1 1857744742 OLLSGQDFCOGZKX-OAHLLOKOSA-N 413.930 4.161 0 1 HIAF Cc1nc2ccc(C(=O)NCC(C)C)cc2n2c(-c3cc(F)ccc3Cl)nnc12 1857747767 FLQOVJQOPQSJIU-UHFFFAOYSA-N 411.868 4.431 0 1 HIAF O=C(NCc1ccco1)[C@@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 13478283 HQBLJGKDDOPGBS-AWEZNQCLSA-N 406.282 4.127 0 3 HIAF CC(=O)Nc1cccc(NC(=O)C[C@]2(C)N=C(c3cccc4ccccc34)N(C)O2)c1 205233445 LHGSEDREVUTHHY-XMMPIXPASA-N 416.481 4.167 0 3 HIAF CCN(CC)C(=O)N(C)C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 26186136 TYIBMMJUKQOSPL-QHCPKHFHSA-N 407.514 4.241 0 1 HIAF CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)nc1 40835045 RJYQAFGYQJXSBT-UHFFFAOYSA-N 406.530 4.313 0 1 HIAF O=C(N/C(C(=O)N1CCCC(F)(F)C1)=C(\Cl)c1ccccc1)c1ccccc1 72177457 SYIOFRDXPXRCLC-ZCXUNETKSA-N 404.844 4.282 0 1 HIAF COC1CCC2(CC1)Cc1ccc(-c3ccc4cc[nH]c4c3)cc1[C@]21N=C(N)N(C)O1 139433264 MSKXYFUUPNXUFI-LRARRHDQSA-N 416.525 4.311 0 1 HIAF Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1F 204540724 JQXZOYWNDOHYKA-UHFFFAOYSA-N 407.401 4.485 0 1 HIAF O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)C[C@@H]1CC1CCCCC1 216984735 VKWQNOCLLHSGNW-IZIBRLFBSA-N 423.597 4.351 0 1 HIAF COc1cc(/C=C/C(=O)N2C(=O)C=CC[C@@H]2/C=C/c2ccccc2)cc(OC)c1OC 299820499 COKUNOIWJOBRKD-IIXHZYAMSA-N 419.477 4.123 0 1 HIAF Cc1nc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2cc1Br 587013737 AOWIIRTZSPWKEF-UHFFFAOYSA-N 424.324 4.177 0 1 HIAF CC(C)(C)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2n1 587020165 ZPOMEXIWAISNTR-UHFFFAOYSA-N 407.499 4.261 0 1 HIAF NC(=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587112554 VSOOVZAJHXRZSQ-UHFFFAOYSA-N 401.310 4.485 0 1 HIAF N[C@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(Br)cc1F 587145272 VMQCJGQDDNIAKK-CQSZACIVSA-N 418.245 4.032 0 1 HIAF Fc1ccccc1CCc1nc2c(I)cnc(Cl)c2[nH]1 587148757 FVAKGCQISHLXKS-UHFFFAOYSA-N 401.610 4.140 0 1 HIAF Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(Cl)nc4[nH]3)o2)c1 587157984 RXNPYUGRHWJEIY-UHFFFAOYSA-N 422.645 4.348 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cc(F)cnc3OC)nc2c(F)c1Nc1ccccc1 587176582 WWIOOCAPKOIEIT-UHFFFAOYSA-N 410.380 4.442 0 1 HIAF O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cnc2[nH]1)c1ccccc1 587217307 BXCZRMKWFCMHLH-KRWDZBQOSA-N 407.271 4.240 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1cc(OC)ccc1OC)CC2=O 587482826 JOOVPNIVBQCOTJ-OAQYLSRUSA-N 408.454 4.459 0 1 HIAF O=C1C[C@H](c2c(Br)cnc3nccnc23)Oc2c1ccc1c2CCCC1 587499631 SVCQAXKSTRIGTI-MRXNPFEDSA-N 410.271 4.373 0 1 HIAF O=C1C[C@](C(=O)O)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587503328 NSJGSDKMYUJASB-HXUWFJFHSA-N 401.256 4.273 0 1 HIAF O=C(O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(OCc2ccccc2)=CO1 587535160 IZBZYLMYIFQSCL-VWLOTQADSA-N 418.445 4.326 0 1 HIAF Cc1ccc([C@]2(c3ncccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587586674 LHQCNIAMHZEBOI-OFVILXPXSA-N 410.429 4.396 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2ccccc2N)N1 587745693 GKAJSKFTEJSVIZ-YEJXKQKISA-N 412.306 4.392 0 1 HIAF CCOC(=O)Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587795715 JCAXUZRRYYRBCL-ASSNKEHSSA-N 420.322 4.492 0 1 HIAF NC[C@]1(c2ccc(Cl)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962642238 OIPGDVXVDNGZOW-NOZRDPDXSA-N 403.957 4.289 0 1 HIAF COc1cc(N(CC2CC2)c2ccc(Cl)cc2)cnc1C(=O)[C@H]1C[C@H]1C(=O)O 1772586331 RGANFCZPDDPSBH-DLBZAZTESA-N 400.862 4.195 0 1 HIAF Fc1ccc(Cc2ccc(N3CCN(C[C@H](F)COc4ccncc4)CC3)cc2)cc1 1857538573 WPARQLUMSPTMFB-QHCPKHFHSA-N 423.507 4.351 0 1 HIAF c1ccc(C2=NN(c3ccccc3)[C@@H](Cn3cnc4c(N5CCCC5)ncnc43)C2)cc1 1857649227 OVGNZMQIEKUFHZ-OAQYLSRUSA-N 423.524 4.110 0 1 HIAF CC(=O)[C@H]1CC[C@]2(C)[C@@H]1C(=O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@@H](C(C)(C)O)CC[C@]12C 1857653456 QPFJWGKNBNABEP-PLXSTZSLSA-N 406.563 4.255 0 1 HIAF CC1(C)[C@H]2CC[C@]3(C)[C@H](C[C@H](O)[C@@H]4[C@H]([C@H]5C=CC(=O)O5)CC[C@]43C)[C@]2(C)CC[C@H]1O 2356638372 BHCIGQMFNDFUAU-GCNAJJIOSA-N 416.602 4.485 0 1 HIAF COc1ccc(CNC(=O)C[C@@H]2C[C@H](C(C)C)[C@H](CNC(=O)C3CC3)C=C2C)cc1 2356701218 YUHJEVYOPDLMON-QNWVGRARSA-N 412.574 4.082 0 1 HIAF Cc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc23)o1 4111854 LTPVYTFQTXJWIL-PKTZIBPZSA-N 413.477 4.296 0 3 HIAF CS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc3c(c2)OCCO3)cc1 3814667 DLEXWYPUXDTMQV-UHFFFAOYSA-N 402.418 4.474 0 1 HIAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccccc1OCC 4152645 FRQCFFFYTVDOJK-FYYLOGMGSA-N 410.514 4.492 0 1 HIAF C[C@@H]1CCCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc23)C1 4909738 VRPPNBZAEUMDSY-UZFJHSOTSA-N 401.510 4.337 0 1 HIAF O=c1nc(SCc2ccc(Cl)cc2)n(Cc2ccco2)cc1Cc1cncnc1 26572647 PLBNCYNEMCLTND-UHFFFAOYSA-N 424.913 4.211 0 1 HIAF O=C1[C@@H](c2ccc(F)cc2)[C@H](c2ccc(O)cc2)N1CC[C@@H](O)c1ccc(F)cc1 28707548 HVGDTPPMOCOEIL-VJBWXMMDSA-N 409.432 4.461 0 1 HIAF CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(C(=O)O)cc4)c3)c2C1 29054810 DWTFCQAYKJLHIY-INIZCTEOSA-N 422.485 4.021 0 1 HIAF CCCC[C@@](C)(O)[C@@H]1C[C@@]23C=C[C@]1(C)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 40741614 AWJZAGZCZVPFAX-CCCFVBFXSA-N 409.570 4.175 0 1 HIAF O=C(c1ccc(Cl)c(Cl)c1)[C@H]1NS(=O)(=O)c2ccc(Cl)cc2S1 40848438 INVHUHRMYZADBM-AWEZNQCLSA-N 408.715 4.240 0 1 HIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(NC(C)=O)cc2)cs1 82195540 CEISQBXGEIWBEB-IBGZPJMESA-N 400.548 4.044 0 1 HIAF O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 103251184 LISONRCHUBYJHC-LBPRGKRZSA-N 420.309 4.475 0 1 HIAF C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1 114343922 UUVFRMLWZBOAOM-HNNXBMFYSA-N 411.465 4.154 0 1 HIAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CNc2n[nH]c3c2CCCC3)CC1 117301147 GYIYCRBGKVNKFJ-FZNQNYSPSA-N 401.942 4.046 0 1 HIAF COc1c([C@H](C)Nc2ncnc(N)c2C#N)cc(Cl)c(F)c1-c1cncc(F)c1 146974088 NONXFQMPUCRQOF-VIFPVBQESA-N 416.819 4.106 0 1 HIAF CC1=C(c2ccc3nc([C@@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3c2)NNC(=O)C1 587077616 UUMVVIGCNFOCOH-FQEVSTJZSA-N 421.932 4.309 0 1 HIAF Cc1cncc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 587141717 VIPHMEGCUMQFAK-HNNXBMFYSA-N 410.902 4.125 0 1 HIAF COc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(I)c1 587180711 XPQJKNXSAQTPGD-UHFFFAOYSA-N 404.129 4.260 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc4c(OC)ccc(OC)c4nc1Cl)[C@@H](C2)C3=O 587420258 JKCLMJWXOOYYAU-YEJXKQKISA-N 411.841 4.403 0 1 HIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587787384 VDXGNEGDWDUJEG-WDEREUQCSA-N 406.667 4.317 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 587872054 IAKLRPSUIZOVET-KRWDZBQOSA-N 407.445 4.090 0 1 HIAF O=S1(=O)C[C@@]2(c3cc(Cl)ccc3O1)c1ccsc1CCN2Cc1ccco1 962704929 DVFBEQUMDFTXHR-IBGZPJMESA-N 421.927 4.019 0 1 HIAF COC(OC)(c1ccccc1)[C@]1(c2ccccc2)NCCc2c1c(C(C)C)nn2C 962918206 NKWLFVGUXGPFGS-XMMPIXPASA-N 405.542 4.079 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2nccnc2NC(=O)OC(C)(C)C)N1 962940543 CWVZBSPRZDLCTG-FATZIPQQSA-N 407.518 4.493 0 1 HIAF CCOC(=O)CC[C@]1(C(C)C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963179346 KGEUVYAHFOKUJY-FZKQIMNGSA-N 421.843 4.152 0 1 HIAF C[C@@H](C[C@@H]1CCCCN1)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772599823 MXNQCNJVMWIZPS-JZXOWHBKSA-N 421.549 4.173 0 1 HIAF CC1CCN(C2CCN(S(=O)(=O)c3cccc(-c4ccccc4F)c3)CC2)CC1 1857584452 FUEPFPYJMOBHQL-UHFFFAOYSA-N 416.562 4.378 0 1 HIAF CC(C)CCCCCCCC[C@]1(O)C=C[C@@H]2N(CCCCCNC(=N)N)CCCN21 2356819537 FCOYUTPAQLUJJA-VWNXMTODSA-N 421.674 4.009 0 1 HIAF CN(C)CCN(Cc1ccccc1)C(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 95601342 HMFYSXZNBAVGPI-UHFFFAOYSA-N 416.447 4.300 0 3 HIAF CC1=C[C@H](CNC2CCC(CO)CC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356302090 LRXHHWFZZNOXNK-MYKCNMGISA-N 410.606 4.496 0 1 HIAF CC(=O)NC1C[C@@H]2CC[C@@H](C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1 101597645 KVRXDZGSMIJSDR-OALUTQOASA-N 422.554 4.158 0 1 HIAF O=C(NCCOc1nc(N2CCc3ccccc3C2)nc2ccccc12)c1ccccc1 1911574272 ZMJFRZSQGJOCDT-UHFFFAOYSA-N 424.504 4.001 0 1 HIAF Cn1cc(-c2cnc(N)c(Oc3ccc(C(=O)Nc4cccc(Cl)c4)cc3)n2)cn1 1911582769 WEOGGUARIACEDQ-UHFFFAOYSA-N 420.860 4.157 0 1 HIAF CC(C)c1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)N1CCCC1 29038120 IXSAAPAZRZURIH-UYAOXDASSA-N 418.603 4.247 0 1 HIAF O=c1oc2c(Cl)cccc2cc1S(=O)(=O)Nc1ccc(Br)cc1 28373612 BICINDIBXIUBFJ-UHFFFAOYSA-N 414.664 4.010 0 1 HIAF Cc1ccc(OC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)cc1 26175638 JZTVSOZSLJMGFA-UHFFFAOYSA-N 412.876 4.026 0 1 HIAF CN1CCC(c2n[nH]c3ccc(S(=O)(=O)c4cccc5ccccc45)cc23)CC1 71295585 RLVDJFWXVLBZCY-UHFFFAOYSA-N 405.523 4.358 0 1 HIAF COc1ccc(C(=O)NC[C@]2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1 45317061 UTQUTYRCYJNMQO-KRWDZBQOSA-N 414.767 4.098 0 1 HIAF Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2)no1 40422206 XLOTYWDJMRLPBZ-UHFFFAOYSA-N 422.919 4.246 0 1 HIAF CC(C)N(Cc1ccccc1Cl)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40916004 RNZSGTNWRLLGSO-NRFANRHFSA-N 420.891 4.008 0 1 HIAF CC(C)N(CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O)C(C)C 49071029 DXHVDEOWTGAGFG-UHFFFAOYSA-N 416.525 4.435 0 1 HIAF CN(C)CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 84653430 FGNHHQRGJTYKKZ-UHFFFAOYSA-N 414.307 4.026 0 1 HIAF Cc1ncccc1NS(=O)(=O)c1ccc(-c2cccc(C3CCNCC3)c2)cc1 199937178 VBECDAFHCBQGPQ-UHFFFAOYSA-N 407.539 4.325 0 1 HIAF COC(=O)Nc1nc2cc(S(=O)(=O)c3c(C)[nH]c4ccc(Cl)cc34)ccc2[nH]1 299823009 JHQLAPQSQUBJQH-UHFFFAOYSA-N 418.862 4.017 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573750 XFWNDXWRUSWIGF-QPPBQGQZSA-N 422.408 4.342 0 1 HIAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)CC1 586952622 JVNQGHLIFBGAPW-UHFFFAOYSA-N 413.543 4.140 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c3c2)cc1 587093810 HDXBTAJQENJIKB-NSHDSACASA-N 421.375 4.271 0 1 HIAF C[C@@]1(COC(=O)c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340818 WYDJDISSKNKBIN-URXFXBBRSA-N 421.424 4.088 0 1 HIAF Fc1c(Br)ccc2nc(C(F)(Br)Br)[nH]c12 587088373 LUTGHKCBEFDOLL-UHFFFAOYSA-N 404.834 4.334 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c(Br)c1Br)[C@@H](C2)C3=O 587417578 OAIBCKMJJVROTR-RTHLEPHNSA-N 413.065 4.037 0 1 HIAF COC(=O)c1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2c1 587241013 UYZTYQFKJZKNLW-UHFFFAOYSA-N 415.449 4.212 0 1 HIAF COc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2cn1 586920219 OBCIYVDKKWLPIU-UHFFFAOYSA-N 417.965 4.252 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(F)c(F)c1)CC2=O 587467395 RCBGVPSZCMAUET-QFIPXVFZSA-N 404.409 4.437 0 1 HIAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cnn(-c2ccccc2)c1C 587632001 OUTOYXNNUMLDCJ-UHFFFAOYSA-N 411.820 4.472 0 1 HIAF Cc1ccc(-n2ncc([C@@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2C)cc1 962770974 ULQFWKCKCRHANW-IRLDBZIGSA-N 413.443 4.398 0 1 HIAF CCCc1ccc([C@]2(c3cnccc3C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963550423 LMDRRJJCVWBHKK-BKMJKUGQSA-N 416.521 4.247 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cccn1-c1nccc(-c2ccco2)n1 963061649 UOKFLULHELMCPJ-DEOSSOPVSA-N 423.476 4.319 0 1 HIAF COc1ccc(Nc2ncnc3c2[C@@H](c2ccc(O)cc2)c2c(n[nH]c2C)O3)cc1 1772572428 YABMJYOHSDKCFI-SFHVURJKSA-N 401.426 4.252 0 1 HIAF COc1cc(OC2CCC2)nc(-c2ccc3c(c2)CC[C@H]([C@@H]2C[C@H]2C(=O)O)O3)c1F 1772649273 IVDMPMHSOXBAHC-JFIYKMOQSA-N 413.445 4.242 0 1 HIAF Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3 13488011 RFRAMVDLVRFQPK-ICSRJNTNSA-N 411.546 4.155 0 1 HIAF CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)cn21 169325475 XVRSZUZIZXSHAX-INIZCTEOSA-N 407.436 4.011 0 1 HIAF CCn1c(=O)cc(N2CCOCC2)c2cc(-n3cc(C)nc3-c3ccccc3)ccc21 1857594696 PEHDAQQCZDRKSV-UHFFFAOYSA-N 414.509 4.019 0 1 HIAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4054919 JBCKGNAWJNZXKM-GMAHTHKFSA-N 420.896 4.207 0 1 HIAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 2356288389 COMBNOBOJRQZBL-JTAQYXEDSA-N 414.571 4.007 0 1 HIAF O=S(=O)(c1ccc(Cl)s1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1ccccc1)C2 102082561 WWBXWWWAZYGPBG-JJRVBVJISA-N 419.959 4.359 0 1 HIAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CCCCC3)c2s1 103264875 OUOXPHUGQSVSFK-UHFFFAOYSA-N 411.531 4.242 0 1 HIAF NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2coc3cc(F)ccc23)CC1 26493960 URMWJMIKSZNNLQ-HSZRJFAPSA-N 420.484 4.464 0 1 HIAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(C(F)(F)F)cc4)ccc31)[C@@H]1CC[C@@H](C2)N1 116588268 VZUXJXGRENJAPJ-GUYCJALGSA-N 420.456 4.379 0 1 HIAF O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2cccc(Cl)c2c1 66252781 TTXQZIOMYONUEL-UHFFFAOYSA-N 421.888 4.020 0 1 HIAF CCCC(=O)O[C@]1(C)CC[C@H](O)[C@](C)(O)C[C@H]2O[C@H]1[C@@H]1[C@H](C(C)C)CC=C(C)[C@H]21 2356609893 AOODOWQDWVZWQC-WPHOOOFWSA-N 408.579 4.006 0 1 HIAF Cc1cc(C)c(S(=O)(=O)N[C@@H](Cn2ccc3ccccc32)C(F)(F)F)c(C)c1 35968628 NXRVYSZNJVQSEI-SFHVURJKSA-N 410.461 4.476 0 1 HIAF CC[C@H](C)c1cc(=O)oc2c(C(=O)C[C@H](C)CO)c(O)c(CC=C(C)C)c(O)c12 14586118 ZLUSGBMZNWJLHJ-KBPBESRZSA-N 402.487 4.428 0 1 HIAF biogenic Cc1nc(Nc2c(Cl)cc(C(F)(F)F)nc2Cl)c(=O)n([C@@H](C)C2CC2)n1 49035826 PUMFYGZTBOVYQT-LURJTMIESA-N 408.211 4.382 0 1 HIAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CSCc2ccccc2)cc1 199944076 RNAAZKOVIVMPAE-UHFFFAOYSA-N 401.557 4.271 0 1 HIAF CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCc3cccs3)ncnc21 82190258 ZUYSYIVTCIMYRI-QGZVFWFLSA-N 419.558 4.046 0 1 HIAF CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2cc(OC)ccc2s1 84652331 WBOSIFPIMSXMTG-UHFFFAOYSA-N 416.300 4.329 0 1 HIAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4cccs4)C[C@H]32)n1 261100463 GFFAVKDUYBZUHO-FXAWDEMLSA-N 404.539 4.173 0 1 HIAF CNC(=O)C[C@@]1(c2ccccc2)CC(O)=C(Sc2ccccc2Cl)C(=O)O1 299825183 XGHSXMRBDGDROV-HXUWFJFHSA-N 403.887 4.180 0 1 HIAF Cc1[nH]c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C(=O)O 587345751 KKWFIYXZFRTIRJ-XXBNENTESA-N 409.413 4.449 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccsc1C(=O)OC)CC2=O 587493896 IOFRTGHUKFUEFF-GTJPDFRWSA-N 404.484 4.384 0 1 HIAF COc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)nn1-c1ccccc1F 587156847 SUTUKFOSFTZULP-UHFFFAOYSA-N 422.645 4.374 0 1 HIAF C[C@]1(c2sc(N)nc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558076 VBRZSHYMHLPTOI-SGTLLEGYSA-N 422.384 4.327 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)OCc2ccccc2)N1 587801194 JNPGRHBLXIQKJX-RNODOKPDSA-N 406.295 4.471 0 1 HIAF O=C(Nc1nc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cs1)c1cccs1 587019874 RLOCFIKPKUCXOH-UHFFFAOYSA-N 424.486 4.249 0 1 HIAF COC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587091353 IXBMDVLSLOZZOV-UHFFFAOYSA-N 419.281 4.371 0 1 HIAF O=C(O)c1coc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356720 RAQNLCKGVJZRKG-AUSIDOKSSA-N 408.381 4.413 0 1 HIAF COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H](N=O)C2 587331042 ACHWSUIXVFXELD-AKFKNWHVSA-N 419.408 4.485 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc4c(cc3nc1O)OCCO4)CC2=O 587488748 JFUJDHAAOARSNT-LJQANCHMSA-N 407.422 4.076 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587109864 OPGAGKFXKRZKGV-UHFFFAOYSA-N 415.412 4.466 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(Br)s1)[C@@H](C2)C3=O 587450335 JMCNLQZCTBITRX-CDNSIRFLSA-N 420.328 4.237 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OC)c(OC)c1)CC2=O 587483101 VBEDPYIZLAAAGT-HSZRJFAPSA-N 414.454 4.087 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(C)c(OC)cc2[nH]1 587181446 QXDZMTAWJAAOBH-JTQLQIEISA-N 410.259 4.319 0 1 HIAF CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(SC)n1 587611248 FYCSFCDDOXWXCB-MAUKXSAKSA-N 412.492 4.329 0 1 HIAF CCC[C@@H](CC1(c2nc3c[nH]c(=N)[nH]c-3n2)CCCC1)C(=O)OCc1ccccc1 587781219 FTCQYQDVTKGIEP-KRWDZBQOSA-N 407.518 4.079 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ccc(C)cn3)c(=O)c3ccccc23)c(O)c1 587664253 CZPIRTQKPIMWPN-UHFFFAOYSA-N 400.482 4.308 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC1OCCO1)c1cccc(F)c1 587571370 NLSMQRQTGTZJKQ-ZJSXRUAMSA-N 422.408 4.151 0 1 HIAF CC(C)(C)OC(=O)NCC[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962954952 KJZAKZDQZKRVNO-INIZCTEOSA-N 414.468 4.313 0 1 HIAF COC(=O)c1ccc(F)cc1[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962639544 QRGNZKAOVLXXGA-OFVILXPXSA-N 416.496 4.449 0 1 HIAF CSCCSCCC(=O)OC[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 13556011 WSLCFIYYDJNWLK-ZGXWSNOMSA-N 411.608 4.422 0 1 HIAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CCN(Cc2ccccc2)C1 201100083 GYSMIUJIRNPYBU-SGGJORCASA-N 418.581 4.355 0 1 HIAF CCO[C@H]1OC(C(=O)N2CCCCCCC2)=C[C@@H](c2ccccc2)[C@@H]1CCCO 6758584 MCGALVUZNARNQM-HFMPRLQTSA-N 401.547 4.228 0 3 HIAF CCOc1ccc(C(=O)N2CCC(c3ncnc4cc(OC)c(OC)cc34)CC2)cc1 1857565626 XEEPXUKKEWDPRT-UHFFFAOYSA-N 421.497 4.066 0 1 HIAF CCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)nn1 1857610831 FNALABCQNYPDNM-UHFFFAOYSA-N 424.448 4.430 0 1 HIAF CC[C@H]1CN(C(=O)Nc2ccccc2)CC[C@H]1CC(=O)NCc1ccc(OC)cc1 8295714 XKYBWRZCKYXBSG-PMACEKPBSA-N 409.530 4.282 0 1 HIAF biogenic C[C@](O)(CSc1ccccc1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 13609014 GSXWVKUVVQIKGM-IBGZPJMESA-N 423.412 4.294 0 1 HIAF O[C@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCCc1ccc(F)cc1 13648536 DTTQTDUZOHHUFF-CCDWMCETSA-N 405.513 4.308 0 1 HIAF Cc1c(CF)cnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn12 13861615 DNXSHHKGXGJBMT-UHFFFAOYSA-N 413.449 4.384 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc(Cn2ccnc2)c1 26816440 CQMLBXJDMVUDAY-PGVNHDJNSA-N 409.486 4.133 0 1 HIAF Cc1occc(=O)c1OCCCCCOc1c(C)n(-c2ccc(F)cc2)ccc1=O 28712736 YOVWACBUHLSIEM-UHFFFAOYSA-N 413.445 4.175 0 1 HIAF Cc1nnc(S(=O)(=O)c2nc3cc(Cl)c(Cl)cc3nc2C(C)C)s1 28950884 UNPLSINQQNDIKS-UHFFFAOYSA-N 403.316 4.053 0 1 HIAF CC(C)N(Cc1ccc(Cl)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40420957 YCMYRZGROHDRGH-NRFANRHFSA-N 420.891 4.008 0 1 HIAF COc1ccc([C@@H]2C[C@H]3C(=O)c4ccccc4NC(=O)[C@@H]3[C@@]2(O)c2ccccc2)cc1 40564190 UACDYYIWNKUHDU-KNZHSQOXSA-N 413.473 4.138 0 1 HIAF COc1ccc(NC(=O)COc2c(-c3ccccc3)oc3ccccc3c2=O)cc1 40976781 VEJCGJKRBCRTNP-UHFFFAOYSA-N 401.418 4.486 0 1 HIAF O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(c2ccccc2)CC1 64600161 HKMFQXTVIXVWGE-UHFFFAOYSA-N 407.539 4.245 0 1 HIAF CC1=CC=C2/C=C/C(C)=C(/C)C[C@@H](C)C(=O)[C@@H](C(=O)O)[C@]3(C)O/C(=C/1O2)C(O)=C3O 100091871 PBKVAXUNUBEUPO-SXYPQNGMSA-N 414.454 4.377 0 1 HIAF in-vitro CCN(CC)C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N(CC)CC 103229274 IWSHRIZSAICDHO-MXXWWZHRSA-N 404.554 4.247 0 1 HIAF CN(C[C@H](O)c1ccccc1)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166514073 HVCKGEIOCGXUGK-QHCPKHFHSA-N 415.493 4.040 0 1 HIAF c1cc2c3cnc(Nc4ccc(N5CCCC5)nn4)nc3n(C3CCCC3)c2cn1 169706696 AQRSMVCQDQNUQT-UHFFFAOYSA-N 400.490 4.228 0 1 HIAF COc1ccc2[nH]nc(C(=O)NCC3CCN(CC[C@@H]4CCC[C@@H](C)C4)CC3)c2c1 221875505 XOOYTHKXMQQQEA-MSOLQXFVSA-N 412.578 4.230 0 1 HIAF CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 224830494 IWZFWJNIEKIDPA-UHFFFAOYSA-N 424.501 4.462 0 1 HIAF CC(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261095404 FGGHQCCTGDDYGV-KESTWPANSA-N 400.563 4.316 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4occ5c4CCC5)[nH]c3c2)cc1 586905316 KMKVNTFYTHPDNV-UHFFFAOYSA-N 409.467 4.121 0 1 HIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(F)cc(Br)cc2[nH]1 587038464 IQZHKWCDYHSFGU-UHFFFAOYSA-N 414.260 4.330 0 1 HIAF Cc1ccnc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587329651 ACKMQLYBVAGJJU-UPVQGACJSA-N 420.440 4.381 0 1 HIAF CCn1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587338265 CASBOVVFZBBXFM-VHUOBLMZSA-N 421.472 4.077 0 1 HIAF C[C@@H]1Nc2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587343756 DIVCBXGXHJANCV-DKEVXLODSA-N 403.409 4.169 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]c(C(=O)OC)cc1Br)CC2=O 587458270 QWQFRBCJZCBXHJ-LJQANCHMSA-N 422.275 4.103 0 1 HIAF O=C1C[C@@H](c2c(I)ccnc2F)Oc2c1ccc1c2CCCC1 587507795 SKLDDNABDJQNIW-HNNXBMFYSA-N 423.225 4.411 0 1 HIAF CC[C@]1(c2cc(C(=O)O)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553459 BKHRTMQKWSNTHQ-WMZHIEFXSA-N 408.381 4.497 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554069 GULCTDWGRNJFNK-APWZRJJASA-N 404.344 4.330 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587732506 NMZAKMFYGVRFTM-WLRWDXFRSA-N 410.258 4.068 0 1 HIAF CCOC(=O)N1C=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 587768193 LGJDOCXEYLRIKT-BUXKBTBVSA-N 411.315 4.474 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c3nc(O)ccc23)N1 587779040 PUDLJSIWMHSQCQ-CFMSYZGJSA-N 417.278 4.345 0 1 HIAF COc1cccc2cc3c(nc12)[C@]1(NCC3)C(Cl)=CN(C)C(Br)=C1F 963063000 YTGMFSWDFJTVGZ-SFHVURJKSA-N 424.701 4.144 0 1 HIAF Cc1ccc(C)c([C@@]2(c3ccc(C)nc3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963239578 XHRWYFOYIUKTCO-AHKZPQOWSA-N 423.516 4.446 0 1 HIAF CN1CCc2c(Br)cccc2[C@]12CCOc1ncc(Br)cc12 963278579 CFASPQZUOFQJNM-KRWDZBQOSA-N 424.136 4.121 0 1 HIAF O=C1Nc2ccccc2C1=Cc1cc(CN2CCN(c3ccccc3Cl)CC2)on1 1857634338 GFYMNPPXYUMCIJ-UHFFFAOYSA-N 420.900 4.143 0 1 HIAF COc1cc2c(Nc3ccc(Br)c(F)c3)ncnc2c(OC)c1OC 1857636894 ADRRZMAYUGWQFR-UHFFFAOYSA-N 408.227 4.301 0 1 HIAF COC(=O)c1cc(=O)c2cc(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)ccc2[nH]1 1857639545 WWUYSOSZRDJVGE-UHFFFAOYSA-N 423.322 4.117 0 1 HIAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3nc(C)no3)cc(-c3ncccc3F)c2)nc1 1857771658 GSYSADWZLROLTJ-AWEZNQCLSA-N 417.444 4.441 0 1 HIAF Cc1cccc(CN(Cc2cccc(C)n2)C[C@@H]2COCc3nc4ccccc4n32)n1 2356697366 GKFIZYPJJQMPOI-JOCHJYFZSA-N 413.525 4.217 0 1 HIAF c1cc(Oc2ccc(-c3cc4ccc(C5=NCCN5)cc4[nH]3)cc2)cc(C2=NCCN2)c1 1995682 NQSOKZXQDFTBHG-UHFFFAOYSA-N 421.504 4.327 0 1 HIAF C=CCN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2118373 OMCAHGFOGWXCSS-BXKMTCNYSA-N 419.912 4.039 0 1 HIAF biogenic COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 13526182 FWPPLEXUCNFYBN-UHFFFAOYSA-N 423.601 4.325 0 1 HIAF O=C(NC[C@@H]1CNc2ccccc2C(c2ccccc2F)=N1)OCc1ccccc1 27521473 AHHXPJAEVZEJBL-SFHVURJKSA-N 403.457 4.384 0 1 HIAF COc1ccc(CN2c3ccc(Cl)cc3N(C)S(=O)(=O)c3cccnc32)cc1 28637293 KFESTFHVDODFOL-UHFFFAOYSA-N 415.902 4.220 0 1 HIAF CN1Cn2c3c(c4cc(Br)ccc42)CCN(C)[C@@H]3[C@@H]1Cc1ccccc1 72110101 DJAYVOJDCFDUFD-RBBKRZOGSA-N 410.359 4.447 0 1 HIAF biogenic CCCCCCN(C)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 82067270 RTAXQQBNXYZMJZ-UHFFFAOYSA-N 417.554 4.119 0 1 HIAF COc1cc2nc(NC[C@H]3CCCO3)nc(NCC3CCCCC3)c2cc1OC 82125427 XDZGFQQBYFTVJQ-MRXNPFEDSA-N 400.523 4.230 0 1 HIAF CCN(CC)C(=O)Cc1c(-c2ccc(Br)cc2)nc2c(C)cc(C)nn12 96168025 WBBNDNCIVIIEMF-UHFFFAOYSA-N 415.335 4.187 0 1 HIAF CC(C)[C@H](CCc1ccc2c(c1)OCCCO2)NC(=O)[C@H](C)CNCc1ccccc1 114097559 YDYGYVQRRINDBI-OFNKIYASSA-N 424.585 4.347 0 1 HIAF COc1cc(C)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 206096952 GZLSICDQKNTTPR-UHFFFAOYSA-N 411.508 4.476 0 1 HIAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(-c3ccncc3)c2n1 223686514 XBPVFSNSYCABCO-UHFFFAOYSA-N 409.453 4.240 0 1 HIAF COc1cc([C@H]2[C@H](C)[C@H]3C(=O)Oc4cc5occc5c(OC)c4[C@@H]23)cc2c1OCO2 238733516 LFHZRNLDFDEWNG-CDFRUWJZSA-N 408.406 4.231 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)c(OC)cc2[nH]1 587179958 BFPXPJGNQJULDN-MRVPVSSYSA-N 414.222 4.150 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OC[C@H]4CO4)cc1)[C@@H](C2)C3=O 587455310 MEYHLNOCWXSEOM-MCEYFSPLSA-N 414.457 4.164 0 1 HIAF COc1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587569178 FSSFHDJKEAOEAX-BJCIKUEASA-N 417.461 4.333 0 1 HIAF CC(=O)c1c(C(F)(F)Br)[nH]c2c1c(Br)cc1n[nH]cc12 587622075 WLXPJAICXBNLPQ-UHFFFAOYSA-N 407.012 4.454 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(F)c(Cl)cc12 587728670 FVBBUSGJDJLEPT-IWEMQMMOSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCN(C)C)cc2)N1 587742493 RTXYHRGLELERBG-SPLOXXLWSA-N 421.354 4.326 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CCN(C(=O)OC(C)(C)C)C2)N1 587773991 LFTVXNMQJYDDTH-CWTRNNRKSA-N 411.315 4.125 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587789509 DPMOSQJYWDTGPG-AYLIAGHASA-N 407.283 4.037 0 1 HIAF Cn1ccc([C@]2(c3ccc(F)cc3)NC3(CC3)Cc3ccc(Br)cc32)n1 961614299 KPGNLMPUEKFBHB-OAQYLSRUSA-N 412.306 4.292 0 1 HIAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc(Cl)c1OC(C)=O 962638339 PMABKZOKROUGTQ-YUNKPMOVSA-N 419.905 4.257 0 1 HIAF FC(F)(F)c1ccc(CN2CCC[C@H](c3nnn4cnc5[nH]ccc5c34)C2)cc1 1772574371 CHFGYUDQHWGNLY-AWEZNQCLSA-N 400.408 4.004 0 1 HIAF CO[C@H]1C[C@@H](NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772634137 OZPQQOAEDWJSOZ-FZNQNYSPSA-N 417.387 4.348 0 1 HIAF C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=S)Nc1ccc(C(F)(F)F)cc1 1857599278 RSJHPPAILDWGOT-GFCCVEGCSA-N 403.470 4.343 0 1 HIAF COc1cc(Cn2cnc3sc(-c4ccnc5[nH]ccc45)cc3c2=O)cc(OC)c1 1911570700 LNOMUGHAHOAATL-UHFFFAOYSA-N 418.478 4.067 0 1 HIAF COc1ccc2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)CC[C@@H]1COC(=O)N21 2356290115 JTJLVALDWJTHKI-MRXNPFEDSA-N 422.403 4.325 0 1 HIAF CC=C(C)C(=O)O[C@@H](c1cc2ccc(=O)oc2cc1OC)[C@H]1OC(C)(C)OC1(C)C 2356321834 YMVDDLDKESKNJK-VQTJNVASSA-N 416.470 4.282 0 1 HIAF COc1cccc(NC(=O)CCN2C(=O)c3ccccc3Sc3ncccc32)c1 8589023 OHDZIOYSMWKYBN-UHFFFAOYSA-N 405.479 4.230 0 3 HIAF C[C@H]1Nc2ncnc(N3CCc4ccccc4C3)c2N(Cc2ccc(Cl)cc2)C1=O 36382442 XPONLXFZEOKIFF-OAHLLOKOSA-N 419.916 4.040 0 3 HIAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCOC 4152890 BCOVRVQHRCMLER-LADGPHEKSA-N 424.541 4.453 0 1 HIAF COc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1ccc2ccccc2c1 28129400 XJFRLONNOVLEKR-UHFFFAOYSA-N 418.518 4.417 0 1 HIAF CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1 28572126 SUWUWYNHAIZHCH-NRFANRHFSA-N 415.497 4.227 0 1 HIAF CCCc1nc2c(N3CC(NC(=O)/C=C/c4ccccc4)C3)cccc2n1C1CC1 45202809 WZVBQFAUPUFHBF-NTCAYCPXSA-N 400.526 4.342 0 1 HIAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccn2)c2ccccc12 58538194 QWVUPJNQFNNUHI-GOSISDBHSA-N 409.493 4.043 0 1 HIAF CCCN1CCN(C(=O)c2cnc(Nc3ccc(OC)cc3)c3ccccc23)CC1 59525428 LUEJPTOXTXXTSJ-UHFFFAOYSA-N 404.514 4.155 0 1 HIAF COc1cc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)cc(OC)c1 72177637 ADWYGOARTPQGIL-UHFFFAOYSA-N 402.498 4.173 0 1 HIAF COc1cc2nc(N3CCSCC3)nc(NC[C@H](C)c3ccccc3)c2cc1OC 82125786 HKBYUJKIXHWGNE-INIZCTEOSA-N 424.570 4.416 0 1 HIAF Cc1ccc(CNc2ncnc3c2nc(CC(C)C)n3CC[C@H]2CCCN2C)cc1 82179296 ORGMIMNEGYUEEK-HXUWFJFHSA-N 406.578 4.430 0 1 HIAF O=C(Nc1ccccc1CCCO)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 95574960 YYQTWWJPPNVDHY-HSZRJFAPSA-N 421.516 4.300 0 1 HIAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)C(=O)C2 100043704 FNKXXRGICBRBQT-YADARESESA-N 415.599 4.082 0 1 HIAF CCCc1cc(=O)oc2cc(OCc3ccccc3/C(=C\OC)C(=O)OC)ccc12 103181163 YJVBGRJKJAVKHM-RCCKNPSSSA-N 408.450 4.485 0 1 HIAF O=c1[nH]ccc2ccc(OCCCN3CCN(c4cccc5sccc45)CC3)cc12 115090841 KBDPNEXGRBZDFM-UHFFFAOYSA-N 419.550 4.334 0 1 HIAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnccn4)ccn23)c1 139511700 PSBHDJALGHPEBE-UHFFFAOYSA-N 412.375 4.142 0 1 HIAF Cc1cc([C@H](O)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144371005 LTXJULOSIPKSDB-ALKREAHSSA-N 419.378 4.497 0 1 HIAF O=C1OCC2=C1[C@H](c1ccc(Cl)c(Cl)c1)c1cc3c(cc1N2CCO)CCC3 299827789 PEAKVZRAGYGWHS-HXUWFJFHSA-N 416.304 4.237 0 1 HIAF Nc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1N 587017607 NWLFEGCXVWAJSS-UHFFFAOYSA-N 406.334 4.266 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cnncc2[nH]1 587074468 YBEJOWYJHGSRDT-NRFANRHFSA-N 413.909 4.475 0 1 HIAF C[C@H](c1nc2c(S)nc(S)nc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128856 RYDMMTMCLPLJHH-UWTATZPHSA-N 412.825 4.265 0 1 HIAF COc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)nn1-c1ccccc1F 587156351 MJXPPGOGKFRGLS-UHFFFAOYSA-N 403.211 4.031 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 587168163 UEGZLALSPNXDTE-GFCCVEGCSA-N 422.233 4.368 0 1 HIAF C[C@]1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174672 RDJXTLLHYDYYFB-HSZRJFAPSA-N 402.429 4.162 0 1 HIAF CN1CCN(c2ccc3nc(-c4cc(O)cc(NC(=O)OC(C)(C)C)c4)[nH]c3c2)CC1 587242021 NOENCDDFKWBFLF-UHFFFAOYSA-N 423.517 4.034 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(O)c(F)cc32)[C@H]1c1ccc(F)cc1 587330472 FNJLPUVJKJYOKU-GMAHTHKFSA-N 410.372 4.413 0 1 HIAF COC(=O)[C@@H]1CC(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587363766 UQBUVZCXQZZFHN-QGZVFWFLSA-N 401.418 4.429 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)O2 587382238 KWSUYQUOFCNGMR-JCURWCKSSA-N 410.461 4.049 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580929 TVZJTPFQFUZVQM-STSQHVNTSA-N 411.454 4.170 0 1 HIAF CN1C(=O)CCc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587594592 MZKRHOWFZXBJHY-WIOPSUGQSA-N 415.445 4.178 0 1 HIAF C[C@@]1(CCc2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608419 KWWVBIBJDDKPMA-QPPBQGQZSA-N 404.418 4.474 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(c3ccccc3)C(=O)C2)N1 587771799 XTXJNESQJZSNKT-RBZFPXEDSA-N 403.295 4.145 0 1 HIAF NC(=O)N1CCc2sccc2[C@H]1C[C@H]1CCCCN1C(=O)OCc1ccccc1 962713909 PWKBRUWGFDDIJH-IEBWSBKVSA-N 413.543 4.307 0 1 HIAF CCOC(=O)c1cccc([C@@]2(CC)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962764290 LFQYZLSBTORJEN-WIYYLYMNSA-N 405.416 4.163 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCc3c2sc2nc(C(=O)OC)cn32)N1 962941443 DXOIDZAMGMZOPK-JCQPUDPBSA-N 420.538 4.168 0 1 HIAF CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccc(C)cc1 1857557011 IRCYDVZOQZPAFA-UHFFFAOYSA-N 419.477 4.129 0 1 HIAF c1csc(CN=c2[nH]c(Nc3ccc(N4CCOCC4)cc3)nc3ccccc23)c1 1857588181 WZHUSGVNWCEPTJ-UHFFFAOYSA-N 417.538 4.306 0 1 HIAF CCn1nccc1Nc1ncnc2ccc(-c3cccc(N4CCOCC4)c3)cc12 1857748667 ORXFRSBRGVNHNJ-UHFFFAOYSA-N 400.486 4.093 0 1 HIAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@H](CO)[C@@]2(C)CCc1ccoc1 2356520120 AIGWUCNUZVDRHF-DRRHGHKVSA-N 418.530 4.370 0 1 HIAF O=C(NCCCN1CCCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4054958 PUCAKVJSRUEHHK-AZUAARDMSA-N 417.962 4.095 0 1 HIAF O=[S@](Cc1cc(OCc2ccc(F)cc2F)ccn1)c1nc2cscc2[nH]1 13448747 FACADWWILYMHLV-MHZLTWQESA-N 405.451 4.184 0 1 HIAF CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(C(F)(F)F)c1 38346926 PZPVQKKTULQJKR-UHFFFAOYSA-N 422.808 4.283 0 1 HIAF Cc1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2C[C@@H]2CCCO2)o1 82180825 TUOAYWAUOYLSAS-KRWDZBQOSA-N 421.476 4.367 0 1 HIAF O=C(CCc1nnc2sc(Nc3ccc(Cl)cc3)nn12)c1nc2ccccc2[nH]1 95591959 WLIHPPCULVLCHG-UHFFFAOYSA-N 423.889 4.275 0 1 HIAF CCOC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@H]1N2 101060603 AKVQJIISOMHZTO-MXEMCNAFSA-N 401.453 4.143 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(F)c(C(F)(F)F)n3)C2)cc1 169709755 SKORBXSRMAXPPW-BLLLJJGKSA-N 411.399 4.094 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N(C)CC(C)C)n3)C2)cc1 169709909 SRTUUFDUKNCGTK-PGRDOPGGSA-N 410.562 4.029 0 1 HIAF CN(CCCCCCn1c(O)c2n(c1=O)Cc1ccccc1C2)CCc1ccccc1 169718928 NUCZTXHJJDVCGR-UHFFFAOYSA-N 419.569 4.043 0 1 HIAF Cc1cc(C)c(-c2nc([C@@H](C)O)[nH]c2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 219090761 VINHYLOQNZOEFD-QGZVFWFLSA-N 414.509 4.167 0 1 HIAF Fc1cc(F)cc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1 226063590 JBCJHSXBXJBGJM-UHFFFAOYSA-N 420.467 4.377 0 1 HIAF O=C(O)[C@@H]1Nc2c(F)cccc2[C@@H]2[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 250237347 LANXXLRUWCFLPO-PFNPHEKDSA-N 422.865 4.484 0 1 HIAF Cc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Br 586919987 BNCBOVIKKOAETH-UHFFFAOYSA-N 419.344 4.139 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(Br)ccnc4[nH]3)c2)c1 587231631 CVOUFZIKBGWALO-UHFFFAOYSA-N 421.298 4.338 0 1 HIAF Cc1ccc(F)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587337877 SGKPDVWBXXTZEV-CVDCTZTESA-N 407.372 4.185 0 1 HIAF O=C(O)c1ccc2c(c1)OC=C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355715 GEQUUTAYKGWLDO-ZJSXRUAMSA-N 418.376 4.390 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCc4ccccc4)[C@@H](C)C1)[C@@H](C2)C3=O 587436473 RPIQLIZPRYKOJN-KFSOKAEPSA-N 407.466 4.003 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1N1CCN(C)CC1)CC2=O 587460334 LVZBPSPTZMCQFD-NRFANRHFSA-N 414.933 4.456 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)nc2/C=C/N(C)C)N1 587756138 QBDSHCFOIDYFLN-RNSFSJJJSA-N 420.326 4.019 0 1 HIAF CC(C)CN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587767024 HSSXIRUEFSWHMR-ZSEKCTLFSA-N 417.322 4.369 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnccn2)(c2ccccc2)N1 587774100 LJTBHHZHHMRYBK-LHSJRXKWSA-N 412.306 4.399 0 1 HIAF CCOC(=O)Cc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794863 HTVYTCUNXDFYJC-LRTDBIEQSA-N 420.322 4.492 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2Cc3ccccc3C(=O)O2)N1 587831663 IORMTBSSZPEAQI-ZUNHGIIWSA-N 404.279 4.119 0 1 HIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)c1 587933901 ZFZIIJIOBOTQBB-UHFFFAOYSA-N 415.493 4.443 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949230 CCXNYIBGQJMPMR-UHFFFAOYSA-N 407.495 4.196 0 1 HIAF O=C(c1ccccc1)c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1 653779704 NOOCKQUKVMGOOU-UHFFFAOYSA-N 414.461 4.406 0 1 HIAF COc1cc2c(cc1[C@@H]1c3ccsc3CCN1Cc1cccn1C)OCCCO2 962400961 USQLFSTVLPGJDZ-QHCPKHFHSA-N 410.539 4.404 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1CC 962639316 VTAHFKIOBTTXQP-LFPIHBKWSA-N 414.546 4.219 0 1 HIAF CC(=O)n1cc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c2ccccc21 962699295 IKBYDBJKUBUICC-HKUYNNGSSA-N 420.362 4.148 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2C2(CCN(c3ccccc3)CC2)N1 963169573 GPGHESAWOYUQEL-INIZCTEOSA-N 424.850 4.453 0 1 HIAF C[C@@]1(c2c(N)cc(F)cc2F)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186342 SSDPVDPLDAGTOX-RHSMWYFYSA-N 420.765 4.082 0 1 HIAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](CO)Cc2ccccc2)c1 775778 POSKWZUMSWVDBC-IBGZPJMESA-N 422.525 4.371 0 1 HIAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4076037 HSPZVPFUXRJCRH-JOCQJMSRSA-N 406.935 4.017 0 1 HIAF CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2cccc(C(N)=O)c2C1 13979267 FTFDKAXJKYPQQO-GOSISDBHSA-N 409.505 4.054 0 1 HIAF in-vitro O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959214 HJULFTQEKBTIGR-IFMALSPDSA-N 418.884 4.113 0 1 HIAF NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1 26496752 PNTQCYZWFHYKJG-QHCPKHFHSA-N 419.500 4.199 0 1 HIAF Cc1cc2c(F)c(Nc3ncnn4cc(-c5nnc(C)o5)c(C(C)C)c34)cnc2[nH]1 29047425 IXYUGLGTMIXVHB-UHFFFAOYSA-N 406.425 4.279 0 1 HIAF N[C@@H](CNC(=O)c1cc2c(-c3ccc(Cl)cc3Cl)cccc2s1)C(=O)O 43013008 DACYHOWCDYMMGQ-AWEZNQCLSA-N 409.294 4.017 0 1 HIAF CCNc1ccc(NC(=O)N2CCN(Cc3sc4ccccc4c3C)CC2)cn1 43075782 MKDFFBKXSBARKH-UHFFFAOYSA-N 409.559 4.386 0 1 HIAF CN(c1c/c(=N/C(=O)c2cccs2)cc[nH]1)C1CCN(Cc2cccc(F)c2)CC1 45189354 ZJZHHXCIZGGLEN-UHFFFAOYSA-N 424.545 4.057 0 1 HIAF C[C@@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@H](C2CC2)c2cn[nH]c2C1(F)F 49034414 CJQQDMKSAZWIFD-LKFCYVNXSA-N 421.391 4.064 0 1 HIAF COc1ccccc1CCNC(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82216421 YZAAVVCPEHHWAK-UHFFFAOYSA-N 420.488 4.086 0 1 HIAF O=C([C@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 95559269 IAJQUJNBYYGCQD-NZQKXSOJSA-N 402.425 4.343 0 1 HIAF NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2ccc(F)c3ccoc23)CC1 95607272 IVJVVSGUEHDXJN-QHCPKHFHSA-N 420.484 4.464 0 1 HIAF CC(C)(Oc1ccc(N(Cc2ccco2)C(=O)Nc2nccs2)cc1)C(=O)O 103243931 FMLICZPKMWFYJX-UHFFFAOYSA-N 401.444 4.217 0 1 HIAF CCOc1ccc(/C=C/c2nc3cc(-c4ccccc4S(N)(=O)=O)ccc3[nH]2)cc1 117136665 JMQNNKRJCWFHKC-NTEUORMPSA-N 419.506 4.446 0 1 HIAF CCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(-c4ccncc4)cc3C2)cc1 166598648 IWMSLSSXTRMPIP-UHFFFAOYSA-N 400.482 4.436 0 1 HIAF COc1ccc2cc(-c3cn(CC(=O)NC45CC6CC(CC(C6)C4)C5)nn3)ccc2c1 169310940 RXXFWZYRORJTPN-UHFFFAOYSA-N 416.525 4.192 0 1 HIAF CCCc1cc(=O)oc2c(C(=O)CC)c(N3CCOCC3)c3c(c12)OC(C)(C)C=C3 169336488 KENRHQUXTMJBTG-UHFFFAOYSA-N 411.498 4.359 0 1 HIAF C[C@@H]1c2ncn(-c3ccccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1F 218412437 GBQXOGRJGKMVTD-GFCCVEGCSA-N 404.367 4.185 0 1 HIAF O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 261180917 WBFFBCACAZRULE-CYFREDJKSA-N 406.489 4.258 0 1 HIAF O=S(=O)(Nc1ccc(F)cc1F)c1ccc2c(c1)CCN2CCc1ccccc1 473135465 QEHJJDUBVAFWCX-UHFFFAOYSA-N 414.477 4.371 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3/C=C\C(=O)O)nc2c1 586882088 JPPRKJIMDYHJBJ-FPLPWBNLSA-N 415.243 4.267 0 1 HIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(I)cc2[nH]1 586882587 YWCYRAWPZKYALK-UHFFFAOYSA-N 418.234 4.096 0 1 HIAF O=[S@](CCCc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 586957725 AXVCHUSJOIPAGO-HSZRJFAPSA-N 416.703 4.253 0 1 HIAF COC(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586984302 DWTYMKCXSSCXII-GOSISDBHSA-N 414.303 4.297 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c1 587015816 BVPIAPGOYYCWNO-UHFFFAOYSA-N 416.528 4.285 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cncc(Br)c2[nH]1 587166593 FCCNZYJOGVHSOV-CQSZACIVSA-N 404.243 4.229 0 1 HIAF Fc1ncc(Br)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587177891 FDSJQSBNHVECAJ-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF Cc1cc(Br)cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194286 PINJJFWFUNZAOY-CYBMUJFWSA-N 411.344 4.151 0 1 HIAF CC(=O)Nc1cccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)c1 587242909 YGPBXNPBHXUDTM-UHFFFAOYSA-N 424.096 4.032 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@@H](C(=O)O)c3ccccc3)cc1)O2 587399328 IHIANVOTORPUGR-FGZHOGPDSA-N 403.434 4.488 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCc4c1ccc(OC)c4Br)[C@@H](C2)C3=O 587416575 BHFQELGDLOEJDI-VBKZILBWSA-N 401.256 4.055 0 1 HIAF CCc1cc(=O)oc2cc(O[C@@H](C)[C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc12 587454832 YUJYDHNSNGQKQY-ZLWNONNNSA-N 420.461 4.338 0 1 HIAF COC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587524099 JZSSEXVHFAQOEA-VWLOTQADSA-N 417.461 4.040 0 1 HIAF C[C@@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547290 QECARJRZZUOOHR-XLIONFOSSA-N 412.239 4.427 0 1 HIAF O=C1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 587552099 NMLARWPGWXQCOR-SIKLNZKXSA-N 408.793 4.212 0 1 HIAF Cc1nc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)no1 587587732 PPUAARZLNUURRB-UGKGYDQZSA-N 400.390 4.454 0 1 HIAF COc1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1)O[C@@H](C)C2 587617474 PUMWKIXRBPETAE-QDKFYKFOSA-N 404.418 4.427 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)OC(C)(C)C)C2)N1 587764904 AIICEYGHMWPCEN-CWTRNNRKSA-N 413.331 4.349 0 1 HIAF COC(=O)c1[nH]c(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587791427 MBGHZYQDYCYGTA-UGZDLDLSSA-N 409.299 4.117 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)([C@H](O)c2ccco2)N1 587829738 RDQKPXLHGYBAHK-ZBJVWZGCSA-N 406.251 4.286 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c(C(=O)O)csc32)N1 587856482 IEDVIMYIBJNFLT-NIVTXAMTSA-N 410.308 4.462 0 1 HIAF CS(=O)(=O)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Br)c1 587875809 NKIFCRHYZZONQU-UHFFFAOYSA-N 409.236 3.950 0 1 HIAF Cc1cc2c(cc1O)[C@@]1(CCc3c(OCc4ccccc4)cccc31)N[C@H](C(=O)O)C2 963548037 DGTRZAIKPBEJFJ-NVQXNPDNSA-N 415.489 4.068 0 1 HIAF CC(C)[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cc1 1911575167 CRSCZCYSOOZATQ-SFHVURJKSA-N 405.292 4.296 0 1 HIAF CO[C@@H]1C[C@]2(CC[C@]3(CCC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@@]43C)O2)[C@@H](OC)O1 2356394834 HUSWIFOINKVFAU-GJTHSAOWSA-N 410.551 4.198 0 1 HIAF CCc1nc(-c2nc(C=C[C@@H](OC)[C@@H](C)C(=CC(=O)OC)OC)cs2)cs1 2356505122 SJCBHNAYTHVEQH-IUODEOHRSA-N 408.545 4.197 0 1 HIAF O=C(N[C@H](c1ccc(Cl)cc1)c1cnccn1)C1CCN(Cc2ccccc2)CC1 61904715 CUYHAIGMVIUJNR-HSZRJFAPSA-N 420.944 4.248 0 3 HIAF C[C@@H]1OCN(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6cccc(F)c6)c5c4CCN3C(=O)[C@@H]12 203467417 APOWEVFRIZOHLL-SVWBVHECSA-N 419.500 4.096 0 3 HIAF CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCC(C)(C)CO)cc1 774222 TXHMXUJVZSNULN-UHFFFAOYSA-N 424.497 4.164 0 1 HIAF CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(O)cc2)CC1 3815922 KPOBZMXBVODHGB-UHFFFAOYSA-N 405.498 4.175 0 1 HIAF COc1ccc(Oc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C4CC4)c3n2)cc1 4239014 SYAMTDZNRQLGEQ-UHFFFAOYSA-N 422.391 4.268 0 1 HIAF COc1ccc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1 8608087 GZUQQWCDXGNXKQ-UHFFFAOYSA-N 420.490 4.454 0 1 HIAF O=C(Nc1cnccn1)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 13605293 TXZSEEGAARAJRD-PMERELPUSA-N 414.490 4.021 0 1 HIAF CCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)ccoc3c2)c1 13781332 FUFMCGMUAVSMEF-UHFFFAOYSA-N 424.497 4.192 0 1 HIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccc(O)cc2[C@H]1CN1CCCC1 26816808 QHRMWGUCTJFDKM-OAQYLSRUSA-N 419.352 4.463 0 1 HIAF CN1CCC(Nc2cccc(S(=O)(=O)n3ccc4ccc(Cl)cc43)c2)CC1 35262017 WDKSNDKKTMSLAI-UHFFFAOYSA-N 403.935 4.038 0 1 HIAF COc1ccccc1CNCCCCCN1C(=O)c2cccc3cccc(c23)C1=O 45246047 CMEJUYHLZHWTOJ-UHFFFAOYSA-N 402.494 4.405 0 1 HIAF Cc1cc(OCCCN2CC[C@@H](N(C)C)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49034918 OWQWPXCWDHUFEH-GOSISDBHSA-N 410.537 4.391 0 1 HIAF Cc1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cn1 68267338 VIHMHSQDSVUSON-UHFFFAOYSA-N 411.512 4.177 0 1 HIAF CC(C)C(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1 72122855 UQPXZORKDJUTMK-MSOLQXFVSA-N 404.514 4.134 0 1 HIAF O=C(NCCC1=CCCCC1)[C@@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085245 MROFPEDKZANWOZ-FQEVSTJZSA-N 424.570 4.498 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc2oc(=O)cc(C)c2cc1C(C)=O 103188358 JQKUILXYXJOEIZ-DEDYPNTBSA-N 422.433 4.043 0 1 HIAF Cc1cc(NC(=O)c2csc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n2)no1 103248923 UPNLZZGYTQBGLI-UHFFFAOYSA-N 411.270 4.180 0 1 HIAF CC(C)(C)c1ccccc1N1CCN(C(=O)C23C[C@@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)CC1 114543504 UFIQNYCAFNWRET-GBXBDOIYSA-N 424.585 4.304 0 1 HIAF C[C@H](Nc1ncc(F)c(N2CC3(CC3)OC2=O)n1)c1ccc(C(F)(F)F)cc1F 142100922 HCJBWQGVRKLFIW-VIFPVBQESA-N 414.334 4.436 0 1 HIAF CC(C)Nc1nc2cnncc2nc1N1CCC([C@@H](F)c2ccc(F)cc2F)CC1 144357584 OHOTWVMGAUZQIJ-LJQANCHMSA-N 416.451 4.446 0 1 HIAF CC(C)CC(=O)N1CCC[C@@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166535915 VHCZNBKXHGQPOY-JOCHJYFZSA-N 422.529 4.045 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CCNC(=O)CC3)nn2-c2ccccc2)c1 169707195 CWMOYLOAJILGNK-LJQANCHMSA-N 416.525 4.347 0 1 HIAF COC[C@H]1CCCN1C(=O)[C@@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169722904 BISDATDRFVQCJJ-ZMYBRWDISA-N 421.328 4.139 0 1 HIAF COc1cc(OCc2ccccc2)c2nc(-c3cn4nc(OC)sc4n3)oc2c1 205904988 CXDBSYVQJLPZJE-UHFFFAOYSA-N 408.439 4.195 0 1 HIAF O=C(Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12)C1CCCCC1 223678103 IGLBOWLFLDJWMI-MRXNPFEDSA-N 422.558 4.046 0 1 HIAF COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)cc(C)c3[nH]2)cc1OC 586975275 LLZPNFUXQLHFIG-OAHLLOKOSA-N 410.699 4.353 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(-c3sc([C@H](C)OCC)nc3C)[nH]c2c1 587013696 BIYYTYLRIYUBJS-ZDUSSCGKSA-N 422.576 4.171 0 1 HIAF O=C(CCc1nc2cccc(C(F)(F)F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024426 ZNYVXFVCZPXRLI-UHFFFAOYSA-N 418.404 4.067 0 1 HIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587116262 BDWXLFODRQBFFJ-UHFFFAOYSA-N 406.799 4.467 0 1 HIAF Cc1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144751 DFVTWFCGBVMVOL-UHFFFAOYSA-N 412.471 4.410 0 1 HIAF COc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2n1 587179191 RRLYYSZIRHUJEU-UHFFFAOYSA-N 419.144 4.257 0 1 HIAF Nc1cccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1C(=O)O 587248186 HMRXLUWPDCPHFM-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF CCOC(=O)[C@]1(c2ncccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340486 SXAJVDHQJRZPEY-YKSBVNFPSA-N 421.424 4.052 0 1 HIAF CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C 587343326 JSHBWCHCSADEOS-AUSIDOKSSA-N 413.445 4.270 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cccc(Br)c1)O2 587376756 KGXFRRKMUHKXGH-DUIUGDAFSA-N 401.304 4.276 0 1 HIAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2C[C@H]1CN(C(=O)OCc1ccccc1)C2 587486785 LMEAOUQGVMXDMO-ROUUACIJSA-N 421.493 4.337 0 1 HIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCOCC1 587518751 PGOGRKFEAIVSAU-SANMLTNESA-N 421.537 4.287 0 1 HIAF CC[C@]1(c2ccc(OCC(=O)O)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522411 LRLYWMFFBQEAAZ-XMMPIXPASA-N 410.466 4.308 0 1 HIAF CCn1ncc([C@]2(C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587555437 LHCKDKUGJCDDJQ-UWJYYQICSA-N 400.381 4.039 0 1 HIAF CC(C)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587598672 XVTOBNPJOHQRFS-SQJMNOBHSA-N 415.445 4.252 0 1 HIAF O=C(Cn1cnc2ccccc21)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656126 FWQRVLHYPCLDEN-UHFFFAOYSA-N 416.387 4.032 0 1 HIAF CC(C)OC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587704693 JLELCMYJGVPXQU-BJOHPYRUSA-N 412.221 4.222 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2ccccn2)N1 587752807 GIFRHPIJBFPCDO-RNODOKPDSA-N 400.295 4.457 0 1 HIAF C[C@H](Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)O 587792138 LKJRAFLAHZUIFO-LIBAHTEVSA-N 408.267 4.064 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCC(=O)O)cc2)N1 587796512 TZZLAZCFNOCRSW-FKIZINRSSA-N 422.294 4.239 0 1 HIAF COC(=O)c1cccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587802397 MCNKTRXYOLSHGZ-GIGQVBGESA-N 417.278 4.480 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587827818 LFHNFFHBFONSLT-GIGQVBGESA-N 410.283 4.305 0 1 HIAF COCCc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587849495 AABZFZSHEWLTAJ-YPMLDQLKSA-N 413.356 4.340 0 1 HIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1cnn2c1CCCC2 961776912 AGHUNSPRKVFMGQ-QFIPXVFZSA-N 408.546 4.460 0 1 HIAF COc1ccccc1[C@@]1(c2nnc(C)o2)c2ccsc2CCN1Cc1cccn1C 962377605 XIHNGEFERJGEJT-QHCPKHFHSA-N 420.538 4.137 0 1 HIAF O[C@@H]1C[C@H]2C[C@@]3(C[C@H]1N2Cc1ccccc1)NCCc1c(Cl)cc(Cl)cc13 963110405 MVQUSDHMJYAYDN-ZJQURUERSA-N 403.353 4.132 0 1 HIAF COc1cc(N(CC2(C)CC2)c2ccc3c(c2)CCC3)cnc1C(=O)[C@@H]1C[C@@H]1C(=O)O 1772571556 UZIRXZUCOKESJN-UXHICEINSA-N 420.509 4.421 0 1 HIAF O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccco2)cn1 1772589683 JNCNARGJGZOOEE-UHFFFAOYSA-N 422.448 4.301 0 1 HIAF CC(C)(C)c1ccc(Nc2nccc(-c3c(C(C)(C)O)nn4ncccc34)n2)cc1 1857619950 LISUKYVUUMYMLK-UHFFFAOYSA-N 402.502 4.455 0 1 HIAF COc1ccc(-c2ccc3ncnc(N[C@@H]4CCN(C(=O)OC(C)(C)C)C4)c3c2)cn1 1857643217 QIWKFCFWIZPVDJ-QGZVFWFLSA-N 421.501 4.122 0 1 HIAF Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(Cc2cn(C)c3ccccc23)cc1 1857653136 ZVYBOBUOBOZFIF-UHFFFAOYSA-N 418.518 4.196 0 1 HIAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Br)cc2)c1C(=O)NC1CC1 199204990 WSEYDMHAOLFLGE-UHFFFAOYSA-N 424.298 4.150 0 3 HIAF CCn1ncc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(C)cn2)c1C 4614937 ZQHWWRQPRDHGTA-NRFANRHFSA-N 405.502 4.362 0 1 HIAF COc1ccc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1 17222120 BIKVKSCSIMJKAW-QGZVFWFLSA-N 412.902 4.324 0 1 HIAF C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cccc(N)c3)CC[C@@H]12 26952594 GXYDBTCLBZLDRJ-IEFWHFDDSA-N 407.558 4.121 0 1 HIAF O=C(CC1Cc2ccccc2C1)NCCCN1CCC2(CCc3ccccc32)CC1 28569058 OTVGPVHXWZRYPH-UHFFFAOYSA-N 402.582 4.278 0 1 HIAF CCCCc1ncc(CO)n1Cc1cccc2c1ccn2-c1ccccc1C(=O)O 29307617 AJYPLEHQCRHUIZ-UHFFFAOYSA-N 403.482 4.408 0 1 HIAF Clc1ccc(-c2[nH]nc(C3CCN([C@H]4CCOC4)CC3)c2-c2ccncn2)cc1 49069584 TYOFBPUAMABHNL-SFHVURJKSA-N 409.921 4.155 0 1 HIAF 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)Nc1ccccc1O 58689903 BGGSGEZOWWTTGS-BNXJYMPYSA-N 408.542 4.244 0 1 HIAF NC(=S)Nc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)o2)c1 73164125 AXHMYBMGGGNACR-UHFFFAOYSA-N 404.904 4.021 0 1 HIAF COc1cc(-c2nc(N3CCC(C)CC3)ncc2-c2ncc(C)o2)cc(OC)c1OC 82167190 BGSXXSIXRXXIKK-UHFFFAOYSA-N 424.501 4.369 0 1 HIAF CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3ccc(N)nc3)ccc1-2 96269658 YHJVHNRIYHRCFY-UHFFFAOYSA-N 404.499 4.229 0 1 HIAF COc1ccccc1OCCN(C)C[C@@H](O)COc1cccc2[nH]c3ccccc3c12 96939430 IIYAQEVCUAUADP-GOSISDBHSA-N 420.509 4.080 0 1 HIAF COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(CNCC(=O)O)c2)cc1 117830825 KIGBNDLCTFMATG-UHFFFAOYSA-N 413.420 4.394 0 1 HIAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1cccc2ccccc12 169351553 JVVFEBJFWYCXOQ-BQSHJARYSA-N 420.505 4.424 0 1 HIAF NC1=N[C@](CF)(c2cc(Oc3ncccc3Cl)ccc2F)C[C@@H](C(F)(F)F)O1 223544409 XRSAAOSZIHJCAU-XJKSGUPXSA-N 421.753 4.497 0 1 HIAF S=C1N(Cc2ccccc2)OC12C=CC1(C=C2)ON(Cc2ccccc2)C1=S 238752268 DNCSYSTVIJQPJB-UHFFFAOYSA-N 406.532 4.140 0 1 HIAF CCCOc1cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br 587094759 UZNOIKQPWXVRHN-QMMMGPOBSA-N 408.218 4.244 0 1 HIAF O=C1C[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F 587151251 XXIYYTNQZNCKBG-LLVKDONJSA-N 411.330 4.256 0 1 HIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587202730 GZAWSDVOTHCYIM-UHFFFAOYSA-N 405.380 4.494 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CC3(CCN(C(=O)OC(C)(C)C)CC3)C1)O2 587398861 ITXPSYJVZQFJMO-IBGZPJMESA-N 400.519 4.338 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(O)cc1)(c1ccc(O)cc1O)CC2=O 587490923 SVGSIRYMYXTBNW-DEOSSOPVSA-N 406.434 4.371 0 1 HIAF CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587519351 ZWVPVOSAHOFRIK-CZKAHXPPSA-N 413.514 4.068 0 1 HIAF COc1cccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587586709 CYBYPXXIGXXODR-GBXCKJPGSA-N 414.417 4.494 0 1 HIAF C[C@]1(c2c[nH]c3cc(C(=O)O)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589121 NPILKCVJBRQGRD-GBXCKJPGSA-N 415.401 4.449 0 1 HIAF COc1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 587606196 CECKVCAQZCSRAE-GBXCKJPGSA-N 416.385 4.210 0 1 HIAF C[C@H](Oc1ccc2c(c1)OCO2)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613570 YMUHTPHMDBZFIM-KLGSUFROSA-N 420.417 4.309 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587755683 PSQXHNAFIHINBQ-BFUOFWGJSA-N 415.310 4.409 0 1 HIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCCO 587798030 NNQSWYDWHQFXNR-BFUOFWGJSA-N 408.311 4.200 0 1 HIAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O 587808907 RHROQKFQYAPRQB-GIPWTMENSA-N 422.294 4.320 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccc(O)cc3oc2=O)N1 587838859 CUOAPLHSVAVTDG-SBKAZYGRSA-N 418.262 4.198 0 1 HIAF COCCOc1cc2c(cc1[C@H]1c3ccsc3CCN1Cc1cccnc1)OCO2 962993512 JFWOZJKSYGKPGK-HSZRJFAPSA-N 424.522 4.045 0 1 HIAF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356480711 NMJFVCKFWDELPC-WOJBJXKFSA-N 414.454 4.082 0 1 HIAF CC1(C)CCC[C@]2(C)[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H]3CO[C@H](O)[C@H]3[C@@]12C 2356635846 MEIBKHXXKNZYPZ-HJNKJNOISA-N 400.515 4.135 0 1 HIAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@H](CO)CNC)CC1 2356776200 RFXLKVTYRRYTBK-OOYIDZMOSA-N 411.627 4.379 0 1 HIAF CCCC(=O)N(Cc1ccco1)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356844050 NRVMJEHYLKEITI-XMMPIXPASA-N 420.509 4.475 0 1 HIAF CCn1ccnc1CN1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 12201709 OFSBQYNGSFNQFD-NRFANRHFSA-N 405.502 4.084 0 3 HIAF COc1ccc([C@H]2C=CCN(C(=O)C3CC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 12478251 XAPQFFOIGCFEJL-GAJHUEQPSA-N 422.500 4.101 0 3 HIAF Cc1ccccc1CN1CCC(NC(=O)[C@@](O)(c2ccccc2)C2CCCC2)CC1 13835812 KRCWDAGTDHZOFY-AREMUKBSSA-N 406.570 4.154 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C(=O)[C@H](C)[C@@H](C)C2 14692470 FLYXTLCSEZIBJX-NWDGAFQWSA-N 416.470 4.113 0 1 HIAF biogenic Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1S(=O)(=O)Nc1ccccc1 29037983 PWIBKEWBERRHGJ-ICSRJNTNSA-N 412.555 4.448 0 1 HIAF CCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)ccnc12 43076371 GJFRNUBRALSFKT-UHFFFAOYSA-N 420.856 4.479 0 1 HIAF O=c1cc(-c2ccc(F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1 59081388 QRTGPFAZBNJTEU-UHFFFAOYSA-N 402.473 4.089 0 1 HIAF C=CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2CCOC)ccn1 64528505 BIRRANLHPAKQKN-UHFFFAOYSA-N 412.490 4.244 0 1 HIAF O=C(c1ccccc1)N1CC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)C1 72101976 PBUPBHZKMWNWQA-NRFANRHFSA-N 411.427 4.304 0 1 HIAF CCNC(=O)Nc1nc2cc(-c3ccc(C(=O)O)nc3)cc(-c3ccccn3)c2s1 103248721 LKARHSLPXNSSIL-UHFFFAOYSA-N 419.466 4.260 0 1 HIAF O=S(=O)(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2)N1CCOCC1 169311181 LPXBZYACXYOFTH-GILFWBMKSA-N 424.566 4.004 0 1 HIAF N[C@H]1CC[C@H](Nc2nccn3c(-c4cccc(NCc5ccsc5)n4)cnc23)CC1 261151042 OYNWNBXJGFPRIQ-QAQDUYKDSA-N 419.558 4.147 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3/C=C/C(=O)O)nc2c1 586882087 JPPRKJIMDYHJBJ-BQYQJAHWSA-N 415.243 4.267 0 1 HIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(C)c(Br)cnc2[nH]1 586917682 UQBTWBZPUBLQCL-DJJJIMSYSA-N 400.276 4.245 0 1 HIAF COc1cc(-c2nc3nc(Br)c[nH]c-3n2)cc(Cl)c1OCC(C)C 587044422 AZTLKTQCNNRQLD-UHFFFAOYSA-N 411.687 4.431 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2c1 587095519 IOQOIPVEGFBNOZ-UHFFFAOYSA-N 414.181 4.380 0 1 HIAF CCOc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1OCC 587277051 XAQBWTCSYYQRTC-UHFFFAOYSA-N 420.259 4.111 0 1 HIAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587334930 NFXJQUUMONPPJV-GGAORHGYSA-N 408.356 4.234 0 1 HIAF COC(=O)Cc1c(C(=O)OC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587363785 VDOZZTIGJXJPRZ-UHFFFAOYSA-N 405.406 4.159 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3c(Cl)cc(Cl)cc31)O2 587379635 JUOZWIWLDXDUQB-IBGZPJMESA-N 406.221 4.106 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(I)s1)[C@@H](C2)C3=O 587427035 GMTOUXGICGLQIB-MGPLVRAMSA-N 412.248 4.024 0 1 HIAF CCCc1c(O)ccc2c1OC1(CCN(c3nccc(C(F)(F)F)n3)CC1)CC2=O 587464567 SULIXRIKNFFXGL-UHFFFAOYSA-N 421.419 4.158 0 1 HIAF COC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 587525710 PCYCCDXJCTUIFD-DEOSSOPVSA-N 405.450 4.089 0 1 HIAF C[C@@]1(c2c(Cl)ncnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554257 WPJKFGUXNIIMPT-BFUOFWGJSA-N 403.221 4.366 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Br)cc1F 587569677 SBAUILKVMDBHGJ-HNAYVOBHSA-N 416.202 4.392 0 1 HIAF CCO[C@H](C)c1ccc([C@@]2(CN)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587579790 QCDQMPHSUNVTPP-QOFFVNHYSA-N 419.477 4.306 0 1 HIAF COc1cccc([C@]2(CC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587809951 SBCKOHCCFFMVQX-ODXCJYRJSA-N 406.295 4.354 0 1 HIAF O=c1ccc2ccc(OCCNCCC3CCN(Cc4ccccc4)CC3)cc2o1 653691242 OLXGWSKUULDSEJ-UHFFFAOYSA-N 406.526 4.064 0 1 HIAF CNC(=O)c1ccc(Oc2cccc(NC(=S)Nc3ccc(F)c(F)c3)c2)nc1 653808121 PEFFGRSQWIVVCK-UHFFFAOYSA-N 414.437 4.321 0 1 HIAF Cc1cc2c(o1)CC(C)(C)C[C@]21c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962665079 KPPREYXXUMQQSO-DQEYMECFSA-N 404.510 4.451 0 1 HIAF CC[C@]1(c2cc(N)ccc2C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922374 CPOUQOJFPDZMGA-UKILVPOCSA-N 418.493 4.328 0 1 HIAF Oc1cc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)ccc1I 963103603 LRRSPWQYLROPDI-ACJLOTCBSA-N 409.242 4.246 0 1 HIAF CN1CCc2c(Br)cccc2C12[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C1 963280062 LMKXTQLYEAJVJH-KBPBESRZSA-N 407.352 4.019 0 1 HIAF COc1cc(Nc2nc(Nc3ccc(C)cc3)nnc2Cl)cc(OC)c1OC 1911584288 CNPSXEYWRUQFTE-UHFFFAOYSA-N 401.854 4.346 0 1 HIAF COc1cccc2nc(C[C@@H]3CN(C4CCC(F)(F)CC4)CC[C@H]3CC(=O)O)[nH]c12 2356305832 LFIIITKDYALOSP-LSDHHAIUSA-N 421.488 4.105 0 1 HIAF CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@]35CC[C@]12C 2356736712 KLLPYPVHEZFPAN-NPNCARCESA-N 415.618 4.254 0 1 HIAF C[C@@]1(C(=O)NCc2cccnc2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61896646 JDTJLOQHFHVANJ-NRFANRHFSA-N 413.399 4.172 0 3 HIAF COc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccccc3n3cccc23)C1 6782628 UPJNZCWYHWTJHQ-LJQANCHMSA-N 414.509 4.029 0 1 HIAF COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2OC)cc1 13557939 CUVGDFGPADWSJA-UHFFFAOYSA-N 406.438 4.217 0 1 HIAF NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1 26495165 NCCVKLHAWCZIET-XMMPIXPASA-N 421.516 4.289 0 1 HIAF Brc1cccc(Br)c1N(C1=NCCN1)C1CCCCC1 28231656 USCFEAJMCPIUJI-UHFFFAOYSA-N 401.146 4.310 0 1 HIAF CN(C)Cc1ccn2c(-c3ccnc(NCC4CC4)n3)c(-c3ccc(F)cc3)nc2c1 28963504 GQZVIHBLRZQEEV-UHFFFAOYSA-N 416.504 4.481 0 1 HIAF O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)c1ccc(F)cc1 29056660 RRJORRWIIOPMFS-SDHOMARFSA-N 404.529 4.401 0 1 HIAF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(N)=O)cc1 29555089 ZEKDLNSSTBFYAH-LDADJPATSA-N 423.538 4.145 0 1 HIAF COc1cc(CNc2ccc(C(=O)Nc3ccccc3N)cc2)cc(OC)c1OC 36338685 ASVMMHZVAVJSDS-UHFFFAOYSA-N 407.470 4.159 0 1 HIAF CS(=O)(=O)Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 66100121 CZWCAVOCGLPUTE-UHFFFAOYSA-N 413.543 4.044 0 1 HIAF COc1cc(CCNc2cncc(Oc3cccc4cccnc34)n2)cc(OC)c1 82068535 SJZKSYCLDINMFB-UHFFFAOYSA-N 402.454 4.489 0 1 HIAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2ccc(F)cc2)C1 82139575 SVQHPWZEKNKKKN-SJORKVTESA-N 414.525 4.382 0 1 HIAF Cc1ccccc1CNc1ncnc2c1nc(-c1cccnc1)n2CCc1ccccn1 82180227 MUHSWHYUZVPBHF-UHFFFAOYSA-N 421.508 4.447 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccc(C)cc2C)nn1C 103178839 UQLBMSAVIFHZPB-RCCKNPSSSA-N 406.482 4.443 0 1 HIAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1 114099805 NTAUHMJDISBFQD-HXUWFJFHSA-N 410.558 4.258 0 1 HIAF CC(C)Nc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)c1 116590300 ZQYAXECAHPPKQG-OXQOHEQNSA-N 409.555 4.181 0 1 HIAF CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccc(Cl)cc2O1 143376622 XXHFINPTQZUXOL-OAHLLOKOSA-N 401.850 4.095 0 1 HIAF COc1n[nH]c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)c1C 206748267 AYMCHEDNKNVQSE-UHFFFAOYSA-N 400.482 4.122 0 1 HIAF Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCCC3)cc2F)cn1 224775925 IUEADHGHXKKKAH-UHFFFAOYSA-N 412.490 4.033 0 1 HIAF CCCS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC1 586951987 FTZITLRXVXUVGK-UHFFFAOYSA-N 409.861 4.154 0 1 HIAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccnc4[nH]cc(Br)c34)nc1-2 587003706 NHZJKEBCUIVARP-UHFFFAOYSA-N 417.576 4.283 0 1 HIAF Cc1ccc(-c2csc3ncnc(SCc4nc5c(O)ncnc5[nH]4)c23)cc1 587040332 YPUPRLVZBVDZPY-UHFFFAOYSA-N 406.496 4.331 0 1 HIAF Nc1ncnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 587064015 JAIHCDUCUWXEMI-UHFFFAOYSA-N 404.861 4.289 0 1 HIAF FC(F)(F)c1cncc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 587115396 MVQXPLUJWZWIEV-UHFFFAOYSA-N 424.551 4.297 0 1 HIAF Fc1ccccc1-c1nnc(SCc2nc3cncnc3[nH]2)n1-c1ccccc1 587153505 STWFZOQJYDGRMG-UHFFFAOYSA-N 403.446 4.032 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)O2 587402389 ZWCRLTFNIBDAIS-XZOQPEGZSA-N 400.519 4.482 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cn3c(Br)cccc3n1)CC2=O 587457753 CGLMJSCBXFIAQO-INIZCTEOSA-N 401.260 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC(C(=O)O)CC3)cc1)CC2=O 587474328 GKULRKVLZHZCIQ-JOCHJYFZSA-N 409.482 4.352 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)NC(C)(C)C)cc1)CC2=O 587482285 CSEUIHKFUCNWCO-FQEVSTJZSA-N 417.527 4.128 0 1 HIAF CCC(C)(C)c1ccc(OCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587566014 ZLONNPLGRPQAMX-UHFFFAOYSA-N 401.532 4.080 0 1 HIAF CCOc1ccc(-c2nn(CCc3ccncc3)c(=O)c3ccccc23)cc1OCC 587668354 AKRGHUIUDYKXJC-UHFFFAOYSA-N 415.493 4.499 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587725354 CSHQOBOXSKIXCB-ODXCJYRJSA-N 424.285 4.458 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2ccnc2)(c2cccc(F)c2)N1 587735216 XHSVWSTVPAQMSD-RNODOKPDSA-N 418.285 4.402 0 1 HIAF COC(=O)N(C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 587741482 NKWGYZOYQSGBRB-WBMJQRKESA-N 407.283 4.437 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)cc3c2N(C)CCC3)N1 587768018 SMXHBTLQXXVHSV-ODXCJYRJSA-N 417.322 4.407 0 1 HIAF CCOC(=O)Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587795722 JCAXUZRRYYRBCL-YEJXKQKISA-N 420.322 4.492 0 1 HIAF CSc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(SC)n1 587847265 TUPGQZOYODPNPN-XLKFXECMSA-N 414.369 4.446 0 1 HIAF C[C@@]1(Cc2cccc(OCc3ccccc3)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962900622 RSKZIFWHXUFEDJ-DHLKQENFSA-N 405.469 4.462 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@H]3C1(C)CCN(C(=O)OC(C)(C)C)CC1 963037949 RDKDCXNVZYCHSL-OAQYLSRUSA-N 411.546 4.467 0 1 HIAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1ccc2ncsc2c1 963152468 VNCGUZAYZFITBQ-ZFWWWQNUSA-N 417.512 4.089 0 1 HIAF Cc1ccn2c([C@H]3N[C@H](C(=O)O)Cc4cc(C(F)(F)F)c(Cl)cc43)cnc2c1 963189962 XORWCWNHBWDZEW-YOEHRIQHSA-N 409.795 4.003 0 1 HIAF COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)NCCc2cccc(Cl)c21 963391054 PDLNXAQCADMFKG-LJQANCHMSA-N 419.706 4.146 0 1 HIAF CCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)nc2ccccn12 1857621464 PMACDMQXKREKDP-UHFFFAOYSA-N 405.285 4.423 0 1 HIAF CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)cc2)CC1 835560 AQMSXOSMVXZSPU-UHFFFAOYSA-N 421.585 4.309 0 1 HIAF O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2)[C@H]1C(=O)c1cc2ccccc2o1 2249350 FTYVNZMAQAGQDZ-ZWKOTPCHSA-N 402.431 4.045 0 1 HIAF CC[C@H](c1ccc(F)c(C(F)(F)F)c1)n1c(C(=O)OC)c(C(=O)OC)[nH]c1=S 3963138 LNTUBWHTZVKTJS-LLVKDONJSA-N 420.384 4.276 0 1 HIAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 4055060 GQNUGIAZZYIEJI-HARLFGEKSA-N 422.912 4.472 0 1 HIAF CC(C)N(CC[C@@](CC[C@@H]1CCCCN1)(C(N)=O)c1ccccc1Cl)C(C)C 26264555 AFVWAVIJLFYWRJ-WMZHIEFXSA-N 408.030 4.494 0 1 HIAF CS(=O)(=O)c1ncc(-c2ccc(C(F)(F)F)cc2)c(N[C@@H]2C[C@@H]3CC[C@H]2C3)n1 28824794 FVZPQLDTGMDKPN-PVXIVEMSSA-N 411.449 4.166 0 1 HIAF CC[C@H](COC)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3Cl)ccnc21 34167681 ZEDBPLSFZAIKJI-GFCCVEGCSA-N 405.857 4.166 0 1 HIAF Cc1ccc(S(=O)(=O)N[C@H](/C(=C/c2ccsc2)[N+](=O)[O-])c2ccccc2)cc1 34774008 QIAXCEKKCBHBPW-DTBYZMGXSA-N 414.508 4.394 0 1 HIAF Cc1ccc2c(=O)c(C(=O)NC3CCCCCC3)cn(Cc3ccccc3F)c2n1 35050291 NWAOGKOQDOUHAE-UHFFFAOYSA-N 407.489 4.345 0 1 HIAF CC1=CC(=O)O/C1=C\C=C(/C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@@H]2[C@@H](O)C[C@@]1(C)O 40953124 UQABFAYKAMYBGT-AWYLHJDVSA-N 418.574 4.037 0 1 HIAF COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccccc1C(F)(F)F 64447495 RLTQYNFGKWUQQQ-FBMGVBCBSA-N 420.339 4.124 0 1 HIAF Cc1cc(=O)c2cc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)ccc2o1 84758532 DJQRIZUNZFTQHC-UHFFFAOYSA-N 410.543 4.075 0 1 HIAF CC1(C)C(=O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@@]4(C)[C@@H](CC=C5CO[C@@H](O)[C@H]54)[C@]3(C)CC[C@@H]12 85645296 KHYDTIKDUFOUBY-BOKACIBUSA-N 402.575 4.096 0 1 HIAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(S[C@H]4CCCCO4)cc3)c3c(N)nccn32)C1 100618732 JNXSRXIMLNLMFQ-GIMINZRKSA-N 410.543 4.226 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 101623409 XHQASLNJMZUQBB-OGAOHHHESA-N 423.465 4.203 0 1 HIAF O=C(NCC1(c2ccc(Cl)nc2)CCC(F)(F)CC1)[C@H]1CCOc2ncccc21 205623297 YGINLXCUJZESTO-HNNXBMFYSA-N 421.875 4.260 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2c1 587033196 GYFATFBQTQTYMU-ZDUSSCGKSA-N 403.573 4.447 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4c(cc3[nH]1)OCO4)N2 587033384 YZRIHBQVKZUCIC-JFEKIERCSA-N 414.512 4.419 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587048515 HZOHZHMKVTXGMQ-MNOVXSKESA-N 410.326 4.391 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587378524 URBSMMUUFJHHLL-HXUWFJFHSA-N 418.287 4.154 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(I)c1O)CC2=O 587471207 JQEKZRKJPLXUNF-MRXNPFEDSA-N 424.234 4.361 0 1 HIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1OCCO 587595188 JTRKVQFABYTHNL-RDPSFJRHSA-N 406.434 4.083 0 1 HIAF CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)cn1 587622488 NWNVNYGOQMWNIQ-UHFFFAOYSA-N 408.206 4.138 0 1 HIAF CC1=C[C@@]2(CC(=O)N1Cc1ccco1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587760042 NSZVIGPBDVSOAY-YUNKPMOVSA-N 419.294 4.247 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncn2)(c2ccccc2)N1 587777399 HGQZEICNIQTNGI-LHSJRXKWSA-N 412.306 4.399 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn2cc(C(F)(F)F)ccc2n1 587870961 MHOWLKNVOOZWAK-UHFFFAOYSA-N 418.350 4.443 0 1 HIAF COc1cc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1SC(F)(F)F 963019148 DSDMDOSWBGDUNS-BLVKFPJESA-N 408.445 4.450 0 1 HIAF COc1ccc(C(=O)[C@@H](CC2CCN(Cc3ccccc3)CC2)C(C)=O)cc1OC 1772583635 ZIAWLNILNATLHN-QFIPXVFZSA-N 409.526 4.394 0 1 HIAF CN(C)c1nc(Cl)nc2c1ncn2CCCNc1ccnc2cc(Cl)ccc12 1772652718 MWSVSZVMCGJOKX-UHFFFAOYSA-N 416.316 4.250 0 1 HIAF CCn1c([C@@](O)(c2ccc(C)cc2)c2ncccc2C)nc2ccc(CCCO)cc21 1857588783 IJESSUBSFUBJCD-AREMUKBSSA-N 415.537 4.277 0 1 HIAF Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(C(=O)NC3CCCCC3)cc2)n1 1911576401 QYAOLXACVZFCGN-UHFFFAOYSA-N 407.474 4.185 0 1 HIAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(C(F)(F)F)ccn1 1911579229 OVHBBHALQAGCJU-OAHLLOKOSA-N 404.367 4.233 0 1 HIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)N1CCN(C)CC1 2356732503 UNYGZEPGZXFKQW-VJBWXMMDSA-N 420.638 4.194 0 1 HIAF COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cc1 61926825 YJPYFLMKZHSRQR-XMMPIXPASA-N 417.465 4.048 0 3 HIAF CN1O[C@@](C)(CC(=O)Nc2ccc(F)cc2F)N=C1c1cccc(Br)c1 205222067 APPQKVLVMHRDNC-SFHVURJKSA-N 424.245 4.096 0 3 HIAF Cc1c(C(=O)N(CC(=O)O)c2ccc(C(F)(F)F)cc2)cnn1-c1ccc(F)cc1 838586 GAIYLIZOHPWWHI-UHFFFAOYSA-N 421.350 4.070 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215227 KFEHDMUCZNJERV-OEMFJLHTSA-N 408.542 4.420 0 1 HIAF Cc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CCCC3)CC2)cc1 13835815 WOXZWDNEPKZBSN-SANMLTNESA-N 406.570 4.154 0 1 HIAF CC(C)OC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O 13860459 DDPMELHZOUURFT-SFHVURJKSA-N 402.853 4.369 0 1 HIAF Cc1nc([C@@H](C)NC2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)cs1 14881931 ZQXCYJGRNVJPBJ-MRXNPFEDSA-N 412.603 4.444 0 1 HIAF c1cc(OCc2ccc(Cc3nnn[nH]3)cc2)cc(OCc2ccc3ccccc3n2)c1 28218847 HWSZZEHYQFDFID-UHFFFAOYSA-N 423.476 4.497 0 1 HIAF COc1ccc(CN2c3cc(Cl)ccc3S(=O)(=O)N(C)c3cccnc32)cc1 28637647 NLQVJRNVNFISBY-UHFFFAOYSA-N 415.902 4.220 0 1 HIAF COc1ccc(NC(=O)COc2ccc3c(=O)cc(-c4ccccc4)oc3c2)cc1 40379456 UXIDSXFUSVZGQO-UHFFFAOYSA-N 401.418 4.486 0 1 HIAF CN1C[C@@H](c2cccs2)[C@@]2(Cc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 40395150 XZSHCTBQGXJNNC-NTUVXCKYSA-N 400.503 4.050 0 1 HIAF CN(C)C[C@H](c1ccccc1)c1nnc2n1-c1ccccc1C(c1ccccc1)=NC2 40504188 PFKVZOMOSRIJBT-JOCHJYFZSA-N 407.521 4.312 0 1 HIAF NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(F)c1 66251463 WXVWWJSTSHLJIZ-UHFFFAOYSA-N 415.512 4.266 0 1 HIAF CC(=O)O[C@H]1C[C@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c3ccc(O)cc3)CC(C)=CC[C@]12C 82123311 CHQMIQBQLGDCJJ-OSGAQNHASA-N 416.514 4.003 0 1 HIAF Cc1cc2c3c(c1)c(=O)c(C(=O)NC1CCCCC1)cn3[C@H](c1ccccc1)CO2 95556062 LUTFEJUSDOPSHW-NRFANRHFSA-N 402.494 4.354 0 1 HIAF CCOC(=O)c1c(-c2cc(F)cc(OC)c2)[nH]c2cc(OC)c(Cl)cc2c1=O 95556706 VTUHCKKBXJVJRV-UHFFFAOYSA-N 405.809 4.182 0 1 HIAF Cc1cc2ccccc2n1S(=O)(=O)c1ccc2c(c1)c1c(n2C)C[C@@H]2CC[C@@H]1N2 100632997 LWGPDTZLECGYJQ-LPHOPBHVSA-N 405.523 4.028 0 1 HIAF FC(F)Oc1ccc(-c2nnc3cncc(N4CC[C@@H](c5ccccc5)C4)n23)cc1 103302963 DHFJQIXVZGXHFA-QGZVFWFLSA-N 407.424 4.387 0 1 HIAF COc1ccccc1-c1cc(=O)n2[nH]c(C)c(-c3ccc(Br)cc3)c2n1 137483917 GPSLOORUEBORIF-UHFFFAOYSA-N 410.271 4.436 0 1 HIAF O=C(NCCc1ccncc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148355240 UYOSEKNZLXWSRG-UHFFFAOYSA-N 411.465 4.380 0 1 HIAF Cn1cnc2cc(-c3cccc(OC[C@@H](O)CN4CCc5ccccc5C4)c3)ccc21 218389121 NETFEXKPQFDURR-QHCPKHFHSA-N 413.521 4.038 0 1 HIAF COc1ccc2[nH]nc(C(=O)NCC3CCN(CC[C@@H]4CCC[C@H](C)C4)CC3)c2c1 221875567 XOOYTHKXMQQQEA-ROUUACIJSA-N 412.578 4.230 0 1 HIAF CO[C@@H]1C[C@@]2(CC[C@]3(CCC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]43C)O2)[C@H](OC)O1 238786774 HUSWIFOINKVFAU-KJFLTHLTSA-N 410.551 4.198 0 1 HIAF Cc1cnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2c1 586968660 BSSMLCMUKJZBPS-HUUCEWRRSA-N 420.542 4.115 0 1 HIAF CCOc1n[nH]c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1Br 586980208 RKKFYEWDNPCVNI-UHFFFAOYSA-N 411.259 4.345 0 1 HIAF FC1(F)Oc2cc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3cc2O1 587001781 GZZOYKTUVRFACS-UHFFFAOYSA-N 421.201 4.239 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(CO)cc3[nH]1)N2 587033377 YWMZFUQBHSGYDW-SHLUWWQESA-N 400.529 4.182 0 1 HIAF CNc1c(F)cccc1-c1nc2c(I)cnc(Cl)c2[nH]1 587135685 MEQWMIINMBNNDN-UHFFFAOYSA-N 402.598 4.064 0 1 HIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)C2 587246187 DKFNKCYDASXRBX-SFHVURJKSA-N 411.811 4.466 0 1 HIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Cl)c(N)cc41)[C@@H](C2)C3=O 587420163 HHNITLYLGMYTOT-XDHUDOTRSA-N 417.848 4.166 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cnc(=S)n(C)c1N)CC2=O 587492388 OSCQPNCSKIPFPE-QHCPKHFHSA-N 421.522 4.299 0 1 HIAF O=C1C[C@@H](c2ccccc2OCCN2CCCC2=O)Oc2c1ccc1c2CCCC1 587513111 HOIVXVPPFSVLCX-QHCPKHFHSA-N 405.494 4.273 0 1 HIAF C/C(=C\[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587740816 KPZHZQWEORLTCB-HUOFJMHOSA-N 404.327 4.226 0 1 HIAF Cc1cc(C)cc(-n2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c1 587761290 AIMIGUTUYHAVIE-RNODOKPDSA-N 415.310 4.409 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(O)cc2)N1 587792981 JBLPGSXJHGRPGM-DGIBIBHMSA-N 402.267 4.308 0 1 HIAF COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC 587807795 NNZMHZPLTMRPLB-GIPWTMENSA-N 424.310 4.412 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)nc2onc(C)c12 587861591 AHCNEYGIHMFHCF-UHFFFAOYSA-N 416.359 4.419 0 1 HIAF COc1ccc2c(c1)C[C@@H](c1nc3cccc(I)c3[nH]1)CC2 587944940 BCKAIKOTFJXMQF-LBPRGKRZSA-N 404.251 4.449 0 1 HIAF COc1ccc2c(c1)[C@H](c1ccccc1OCC(=O)N1CCCC1)N(C(C)C)CC2 962090506 LHZGPVZCTOMPFV-VWLOTQADSA-N 408.542 4.052 0 1 HIAF COc1ccc2c(c1OC)[C@]1(CCCN(C(=O)OC(C)(C)C)[C@H]1C)N(C)[C@H](C)C2 962645461 ZRYGHCHRXFOCTM-VBURHUQHSA-N 404.551 4.195 0 1 HIAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@](C)(C1CCC1)N2C(=O)OC(C)(C)C 962704457 FRVZTEMIUROMLK-DHIUTWEWSA-N 403.494 4.492 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962723081 ZWLLDIFVMXQQLD-HXOBKFHXSA-N 412.530 4.174 0 1 HIAF CCOC(=O)CC[C@@]1(c2ccc(F)cc2)NCCc2cnc3c(OC)cccc3c21 963046911 LQYROICHJSVZDI-DEOSSOPVSA-N 408.473 4.115 0 1 HIAF COc1ccccc1C[C@@H]1N2CCC(CC2)[C@@]12NCCc1c(OC)ccc(Cl)c12 963259821 UWZTXUNDJIXTHG-LADGPHEKSA-N 412.961 4.035 0 1 HIAF Clc1nc2ccc(Br)cc2cc1Cn1nnnc1Cc1ccccc1 1772583911 UVSQZZIEZIUYTR-UHFFFAOYSA-N 414.694 4.276 0 1 HIAF COc1cc2nccc([C@@H](OC(C)=O)c3ccc4ncccc4c3OC)c2cc1OC 1772608472 ZARWODRDMNPMOT-XMMPIXPASA-N 418.449 4.461 0 1 HIAF Oc1nc(N2CCC3(CC2)CNc2cc(Cl)cc(Cl)c23)nc2c1CCCC2 1857581257 QCAJKPUKPLDOJH-UHFFFAOYSA-N 405.329 4.332 0 1 HIAF Cc1cc(F)ccc1Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1 1857653633 SLSUNARBUPMOHO-UHFFFAOYSA-N 402.355 4.245 0 1 HIAF CC=CC=CC[C@@H]1C[C@@H]2C=CC(C)=C[C@@H]3C=C[C@H](O)[C@H](O)[C@H]3C(C)=CC=C[C@H]2C(=O)N1 2356529837 UIBDXMJAGQYGAG-XMDZHUTCSA-N 421.581 4.172 0 1 HIAF CC1=C[C@H](CN2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356751993 FMHRMUWVVAUDBZ-ZRBLBEILSA-N 408.590 4.381 0 1 HIAF COC(=O)C1=C(Nc2ccc(OC)cc2)C=C(C)[C@H](C(=O)OC)[C@@H]1c1ccc(C)cc1 3623445 JIEKOVLBZONABQ-VXKWHMMOSA-N 421.493 4.376 0 3 HIAF O=C1N[C@H](Cc2ccccc2)c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc21 36389180 FPPIWJHLZKQHOG-LJQANCHMSA-N 401.853 4.066 0 3 HIAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 4049425 QDSHOAGOOITOGH-PZJWPPBQSA-N 417.912 4.029 0 1 HIAF COc1ccccc1NC(=O)c1cc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)ccc1Cl 9490087 AIWKKWKSRNPGGX-VUIMYGBESA-N 424.884 4.136 0 1 HIAF O=C(O)C[C@](O)(CSCCCCCCc1ccc(Cl)c(Cl)c1)C(=O)O 13758142 HFKUTSQHEHKDBJ-KRWDZBQOSA-N 409.331 4.120 0 1 HIAF O=C([C@H]1CCCN1)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 25996140 RTXXHDKZVSNDOF-WOJBJXKFSA-N 400.415 4.038 0 1 HIAF O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1ccccn1 28522436 RJSSNORBHMDAHN-RTBURBONSA-N 416.319 4.098 0 1 HIAF O=C(O)C[C@@H](NC(=O)C1CCC2(CC1)CCN(c1ccncc1)CC2)c1ccccc1 28755536 JNMHMFBZJMPXKX-JOCHJYFZSA-N 421.541 4.191 0 1 HIAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[P@@](=O)(O)OC 29313786 MJUFDTCXLLESHF-SREVYHEPSA-N 410.359 4.017 0 1 HIAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1cc(C)c(=O)c(C)c1)C(F)(F)F 34802053 JTIJBQLFJJJIJO-HXUWFJFHSA-N 415.427 4.274 0 1 HIAF O=c1ccn(C/C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 36185079 ISRBLVQOVMVNRK-KHPPLWFESA-N 424.500 4.102 0 1 HIAF in-vivo COC(=O)c1[nH]c2ccc(Br)cc2c1Cc1cc(O)c(OC)c(OC)c1 45290099 LVDVBGYRHQYULZ-UHFFFAOYSA-N 420.259 4.031 0 1 HIAF O=C(NCCCSc1nc2ccccc2s1)NC(=O)NCCc1ccccc1 64539733 BLASVEACAZDLSA-UHFFFAOYSA-N 414.556 4.030 0 1 HIAF O=C(Cc1cccc2cnccc12)Nc1scc(Br)c1-c1ncn[nH]1 66077421 GLVDZCDUMFNCFY-UHFFFAOYSA-N 414.288 4.025 0 1 HIAF CC(C)CC(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72142856 UTYCTJCCQWISPS-OAQYLSRUSA-N 420.479 4.212 0 1 HIAF CC[C@H](C)Nc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccccc2F)n1 82153244 JOHZDLOKAIVQIA-INIZCTEOSA-N 422.504 4.474 0 1 HIAF Cc1cccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)n1 84614454 WOOZKYJTHJWUFV-UHFFFAOYSA-N 413.525 4.226 0 1 HIAF CC(C)COc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 146814667 UDNZKYWBVTTWJF-UHFFFAOYSA-N 401.850 4.233 0 1 HIAF O=Cc1ccc(OCC(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1 299856219 CJXWHSNWSNKVTC-UHFFFAOYSA-N 411.889 4.088 0 1 HIAF CCOC(=O)[C@@H](F)[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586987462 WSSZZAIYXPFRTK-IPQOISQHSA-N 405.425 4.158 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3ccnc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl 587062505 WSYZEWMEHYMKGT-SCLBCKFNSA-N 419.312 4.358 0 1 HIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)n1 587079281 IHIYBRWQFIOLMC-MRVPVSSYSA-N 406.817 4.344 0 1 HIAF C=C(NC(C)=O)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587202287 DXEUAURXDJRXIM-UHFFFAOYSA-N 406.339 4.080 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(CCC(=O)O)=COc2cc(F)ccc21 587471969 NOFVSJDQUZJNIM-HSZRJFAPSA-N 412.413 4.486 0 1 HIAF C[C@]1(c2ncccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539054 HGMHNASKPAAIPT-UZLBHIALSA-N 412.239 4.427 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccc1)CC2 587581534 HVACFGMDWZOUID-JOCHJYFZSA-N 401.462 4.389 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1(CN2CCOCC2)CCCCC1 587591496 FQAYTPZJRIIQLW-QPPBQGQZSA-N 423.509 4.005 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3ccc(Cl)cc32)N1 587699137 PSCGALNAIXAUFJ-DYBLOJMWSA-N 410.670 4.329 0 1 HIAF CCn1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587711959 YVQSXISYZAKKMA-VFZGTOFNSA-N 406.221 4.145 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2NC(=O)OC(C)(C)C)N1 587744679 SJCYCCVODRKFEZ-RWTORFTKSA-N 413.331 4.395 0 1 HIAF COc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 587757788 HULQQXADOBYPMM-FKIZINRSSA-N 416.294 4.406 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1cccnc1-c1ncccc12 587777940 KAALDSDHTAMNSD-WSVYEEACSA-N 424.273 4.019 0 1 HIAF CC[C@@]1(c2ccc(OCC(=O)O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792462 LHCBQTOHGTXLJJ-YUNKPMOVSA-N 422.294 4.239 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCC(=O)O)N1 587796470 SXLPZXGREHNZGI-WLRWDXFRSA-N 408.267 4.065 0 1 HIAF O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O 587942450 YUVRSDMEEMFUHV-UHFFFAOYSA-N 416.058 4.313 0 1 HIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587963664 PZBAYKLNQQVIRT-OLZOCXBDSA-N 417.918 4.175 0 1 HIAF C[C@]1([C@@H]2CC2(Cl)Cl)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963166091 CJMIJLDPCHEWSF-MWODSPESSA-N 402.627 4.367 0 1 HIAF Cc1cccc2c1[C@@](C)(C[C@H]1CCOC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905122 WGIRYBXZWWPVSN-JTUHZDRVSA-N 403.519 4.273 0 1 HIAF Cc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4ccc(F)cc34)cn2)c1 1857542936 BEIAGJMRJORPOP-UHFFFAOYSA-N 418.476 4.133 0 1 HIAF CC(C)(C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 1857616031 FCRSLMLPGRRFJG-UHFFFAOYSA-N 414.600 4.387 0 1 HIAF Cc1c(O)ccc2c1[C@H](Cn1cc(-c3ccccn3)nn1)[C@@]13CC(=O)[C@@](C)(CC[C@@H]21)C3 1857771674 KZPMRURPWAPNOY-AMIJONBRSA-N 414.509 4.385 0 1 HIAF O=C1[C@@H](Cc2ccc3c(c2)OCCO3)CCCN1c1ccc(Br)cc1 1911574800 FLUIYNDRXGDUEM-OAHLLOKOSA-N 402.288 4.206 0 1 HIAF COc1ccc(S(=O)(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)cc1 1911580845 LBKFQTQZULGXMO-UHFFFAOYSA-N 407.447 4.269 0 1 HIAF CC[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1)N(C)C 3820257 ZCIYBFFBVPVYLH-FGZHOGPDSA-N 409.530 4.456 0 1 HIAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc(OCC)c1 4043217 FOHGETOOEMEWIG-JTHBVZDNSA-N 409.530 4.159 0 1 HIAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@@]4(C)[C@@H]3CC[C@@]21C 26387563 SLZJMEMEWDUTRZ-KQTHGUNBSA-N 403.611 4.127 0 1 HIAF CC(C)(c1cc(-c2cccc(-c3cc[n+]([O-])cc3)c2)c2ncccc2c1)S(C)(=O)=O 29037754 KIPIUFGWKOVMSY-UHFFFAOYSA-N 418.518 4.482 0 1 HIAF COc1ccc(C(=O)CSc2nc(Cc3cc(C)cc(C)c3)c(C)c(=O)[nH]2)cc1 29058416 LYWPGTUGQIRUPE-UHFFFAOYSA-N 408.523 4.270 0 1 HIAF Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)N(C)O)c(F)c2)no1 45338921 LFVFDEMVFVGCTK-MRVPVSSYSA-N 423.807 4.130 0 1 HIAF Cc1oncc1CNC(=O)c1ccc2cc(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1 49803414 HWWYLNDARXJWEW-UHFFFAOYSA-N 411.465 4.375 0 1 HIAF COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c1 71295428 DVVOGWYOYHNNQP-UHFFFAOYSA-N 407.445 4.149 0 1 HIAF O=C(NOCc1ccccc1Cl)c1cc(Br)c(Br)[nH]1 71341868 YLFDBSKBDGLUNN-UHFFFAOYSA-N 408.477 4.055 0 1 HIAF C[C@H](C(=O)NCc1ccc(C2CCCC2)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73240448 KUJXVPHLRPKHHL-HNNXBMFYSA-N 418.534 4.275 0 1 HIAF CC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)COc1ccc(C(C)(C)C)cc1 95604736 MINXLAHSANXZBA-UHFFFAOYSA-N 408.502 4.245 0 1 HIAF Cc1ncccc1Oc1ccc(OC(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1 143159281 QULMOQQNFDJHJA-UHFFFAOYSA-N 405.332 4.022 0 1 HIAF O=C(Nc1ccc(C(=O)O)c(F)c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 144217262 IPCIZRUEEJQDHO-UHFFFAOYSA-N 412.465 4.115 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1 150101839 VUVNBGXOCSAVDV-UHFFFAOYSA-N 408.458 4.038 0 1 HIAF Cc1noc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)c2)c1C 169311672 QTIMEMGSWAIZPJ-UHFFFAOYSA-N 419.890 4.022 0 1 HIAF COc1cccc(N2CCN(c3cc(O)n(-c4ccc(C)c(Cl)c4)c3O)CC2)c1 169687417 SVFJXLIPBFKFCE-UHFFFAOYSA-N 413.905 4.186 0 1 HIAF CN(c1ccc(-c2cc(F)cc(F)c2)cn1)C(=O)[C@H]1CC[C@@H](N2CCCC2=O)CC1 261167852 SHHLAOFRYFMPJR-GSXCWMCISA-N 413.468 4.171 0 1 HIAF COc1ccc(NC(=O)NC2CCN(c3cc(C)nc4ccc(OC)cc34)CC2)cc1 299857830 DBXQZKAXKLZZMS-UHFFFAOYSA-N 420.513 4.351 0 1 HIAF Cc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1C 586951790 ZRTSUEVTGJCGGF-UHFFFAOYSA-N 420.332 4.050 0 1 HIAF CC(C)COc1cc2nc(C(C)(C)SCC(=O)O)[nH]c2cc1Br 586958022 CMAHYEWCHWGXQN-UHFFFAOYSA-N 401.326 4.413 0 1 HIAF CCOC(=O)[C@@H](F)[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586987158 UCBHECVQILAERN-PEBXRYMYSA-N 405.425 4.473 0 1 HIAF Cc1c(-c2nc3ncc(Br)c(C)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029898 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Cn1nc(C(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587554788 JHYWORCRUXIZAI-SUMWQHHRSA-N 406.772 4.420 0 1 HIAF Cc1ccc([C@@]2(c3ncc[nH]3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794149 SYAGUAXPDLGNFC-ZUOKHONESA-N 400.295 4.446 0 1 HIAF COc1ccc([C@]2(/C=C/C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587812238 YUTWQAAFEKVVSI-SOUFYDLCSA-N 420.278 4.015 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1cc(Br)c(C)n1 587869252 FKWHEMYYMSHTNU-LBPRGKRZSA-N 421.270 4.257 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccnc(NC(=O)C(C)(C)C)c1 587870898 UTUWBGSMSUMFJZ-UHFFFAOYSA-N 410.449 4.156 0 1 HIAF COc1ccc2c(c1)[C@]1(CCCC[C@H]1[C@@]1(O)C(=O)Nc3ccccc31)N(C(C)C)CC2 962090577 LSSGDDPUDVKBNR-DMTNHVFBSA-N 420.553 4.187 0 1 HIAF NC[C@]1(c2ccc(Cl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962642244 OIPGDVXVDNGZOW-ZCYQVOJMSA-N 403.957 4.289 0 1 HIAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@](C)(C1CCC1)N2C(=O)OC(C)(C)C 962704459 FRVZTEMIUROMLK-XZOQPEGZSA-N 403.494 4.492 0 1 HIAF CC(C)Oc1ccc(Br)cc1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962898692 MFEMFQJYQFWJIR-WMZOPIPTSA-N 408.267 4.064 0 1 HIAF Cc1cccc2c1[C@]1(C=CN(C)C=C1Cl)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863497 XXLQMRSOVQTJON-OPAMFIHVSA-N 418.921 4.366 0 1 HIAF COc1cc(-c2cnc3cnc(-c4cccc(NC(C)=O)c4)cn23)cc(OC)c1OC 1857595934 RRXKKFDIKOVKSX-UHFFFAOYSA-N 418.453 4.048 0 1 HIAF CC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)[C@H](OC(C)=O)[C@@]4(O)C(=O)OC 2356400857 LWNWMGNTSHEJGE-YTEGIJCYSA-N 406.563 4.255 0 1 HIAF COc1cc2c(c(OC)c1)C(=O)[C@@H](c1ccc3c(c1OC)C[C@H](O)C(C)(C)C3)CC2 2356570869 YOJIDZRPCZHMDV-UTKZUKDTSA-N 410.510 4.111 0 1 HIAF CC=C(C)[C@@H]1C(C)=C[C@@H]2CC[C@H](OS(=O)(=O)O)[C@H](C)[C@@H]2[C@H]1C=CC=CC(=O)O 2356829469 IYRMAAQKPZZPSB-IJKWGBFBSA-N 410.532 4.192 0 1 HIAF COc1cccc(-c2nn(C)c3sc(C(=O)Nc4ccc5c(c4)OCCO5)cc23)c1 4076453 XJQBQSLFCKTQGW-UHFFFAOYSA-N 421.478 4.334 0 3 HIAF CCOC(=O)C1=CC[C@H]2c3c(c4ccccc4n3C)C(=O)[C@H]1N2Cc1ccccc1 102634226 XNQUMZRCECALRF-UNMCSNQZSA-N 400.478 4.180 0 3 HIAF COC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCC4)CCC2 1855670 JDCKLAWDBNRXBJ-UHFFFAOYSA-N 416.517 4.121 0 1 HIAF CCCCCC[C@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NCc1ccccc1 26747315 ROSKDGQAKQKTRP-QMPJNXRZSA-N 422.525 4.170 0 1 HIAF CC(C)C[C@H](NC(=O)[C@@H](CCC(=O)O)CCc1ccccc1)C(=O)Nc1ccccc1 27874850 HQKHAIXFILRCNW-IRLDBZIGSA-N 424.541 4.270 0 1 HIAF O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 28966152 BYFKKJAXKHAYMR-UHFFFAOYSA-N 422.456 4.347 0 1 HIAF COc1cc(C(=O)O)ccc1Cn1ncc2ccc(NC(=O)CC3CCCC3)cc21 29467830 JMQWBUKHNFPDCT-UHFFFAOYSA-N 407.470 4.310 0 1 HIAF O=C1Nc2ccc(F)cc2/C1=C\c1cccc(/C=C2/C(=O)Nc3ccc(F)cc32)n1 40916918 FCUJJIMTKSPZRC-XOBNHNQQSA-N 401.372 4.345 0 1 HIAF O=c1c(I)c(OCc2ccccc2)ccn1Cc1ccccc1 49113476 NEZIZFKTRZDBMW-UHFFFAOYSA-N 417.246 4.080 0 1 HIAF CC(C)N1CCC(C(=O)Nc2ccccc2CNC(=O)c2ccc(Cl)s2)CC1 66080169 QHJIFSSCZQQNKE-UHFFFAOYSA-N 419.978 4.390 0 1 HIAF COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4[C@@]23c2ccc(Cl)cc2)cc1 115650617 LYGSUKXHAHMWBC-DEOSSOPVSA-N 418.880 4.162 0 1 HIAF CC1(C)OC(c2ccc(S(C)(=O)=O)c(Cl)c2)=C(c2ccc(F)c(F)c2)C1=O 138256887 QOYYIUZOTUUSTM-UHFFFAOYSA-N 412.841 4.268 0 1 HIAF CC(=O)c1ccc([C@@]2(C)Cc3cc(OCC(=O)O)c(Cl)c(Cl)c3C2=O)cc1 169315837 OMDNCCKRHOUGAD-HXUWFJFHSA-N 407.249 4.356 0 1 HIAF CCOC(=O)C1=C(CC)N=C(CC)[C@@H](C(=O)OCC)[C@@H]1c1cccc(-n2ccnc2)c1 169714467 NTDPJPABTWNXFD-LEWJYISDSA-N 423.513 4.227 0 1 HIAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)c(C)c3)CC[C@H]2C)c1 207465114 VSLUJTNAZDNCRC-RTBURBONSA-N 422.504 4.343 0 1 HIAF COC(=O)c1cccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961154 SIZHKYUTTBKVJZ-GDLZYMKVSA-N 404.491 4.388 0 1 HIAF Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2n1 586963714 NQVMSFQFJARHOS-UHFFFAOYSA-N 412.906 4.051 0 1 HIAF FC(F)(F)c1cnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029235 KNMWTCYIKUMKPM-UHFFFAOYSA-N 400.389 4.498 0 1 HIAF CCOC(=O)Cc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587226797 SXWXFOYLFIJGNF-LJQANCHMSA-N 401.507 4.425 0 1 HIAF COC(=O)c1cc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2c(F)c1Nc1ccccc1 587243335 JZAMPSYUTPNMJL-UHFFFAOYSA-N 419.416 4.390 0 1 HIAF O=C(c1cc(F)cc(C(F)(F)F)c1)c1c(CO)oc2cc(Br)cnc12 587276615 PACIHPBFGCDPEX-UHFFFAOYSA-N 418.140 4.472 0 1 HIAF CC(C)(C)OC(=O)NC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587337215 OSCHPRHXYZRZGT-PELQFQBLSA-N 413.445 4.316 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1ccnc1)(c1ccccc1Br)O2 587376025 GRIYLWHHGQJMOV-FQEVSTJZSA-N 412.287 4.097 0 1 HIAF CC(C)(C)C(=O)N1CCOc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518151 CCAGTDOIRNSQTK-OAQYLSRUSA-N 420.509 4.438 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccnc1F 587571649 RLZLNJVTRSSMQZ-YJBOKZPZSA-N 416.202 4.392 0 1 HIAF CC1(C)CC(=O)C(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)C1 587603301 LRSACPKTZMNRSB-YKSBVNFPSA-N 408.450 4.077 0 1 HIAF Cc1nn(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Br 587681226 RFBHYXMRZQYPBH-UOWDBTKRSA-N 417.120 4.016 0 1 HIAF CCn1cc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587682201 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CCc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2Cl)cc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c1ccc2nc(N3CCOCC3)sc2c1)N1CCC(Cc2ccccc2)CC1 5145688 LKVRUAHOVWEHOG-UHFFFAOYSA-N 421.566 4.228 0 3 HIAF CCc1nc2c(OCc3ccc(C(=O)OC)cc3)cccn2c1N(C)C(=O)CC(C)C 61897619 IUABNWIJEBOFGR-UHFFFAOYSA-N 423.513 4.271 0 3 HIAF O=C(O)c1cccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)sc23)c1 3928191 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CN(c1ccc(C(F)(F)F)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118892384 GFCVFQWGOHHRFW-AWEZNQCLSA-N 421.394 4.273 0 1 HIAF CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccnnc3)cc2)C2CC2)CC1 207680517 CGVHJANETRZTCV-UHFFFAOYSA-N 422.529 4.148 0 1 HIAF CC(C)(C)OC(=O)NC[C@@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586988555 LRFILPKEJLHXDQ-LBPRGKRZSA-N 402.450 4.316 0 1 HIAF COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587024509 AXPNSDTZNGPQCC-YSSFQJQWSA-N 423.538 4.486 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335225 OEDPDQRZSGVVPW-URXFXBBRSA-N 424.399 4.488 0 1 HIAF C[C@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348393 ODUKFRBIGMJPLC-ISKFKSNPSA-N 422.408 4.269 0 1 HIAF COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)c[nH]1 587379509 VGURHBXZELHMEK-HSZRJFAPSA-N 424.884 4.449 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCN1CCCC[C@H]1C)[C@@H](C2)C3=O 587434564 AROJQXUWGPYYCN-BXEPQMNJSA-N 407.510 4.437 0 1 HIAF Nc1ncc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545160 GTUKOFSICJKIET-MAUKXSAKSA-N 402.328 4.091 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)c(F)c1 587553136 FRYNXVKGFHKDQQ-XUZZJYLKSA-N 421.424 4.071 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575490 CESJAQBFYURZHL-QPPBQGQZSA-N 401.418 4.154 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595052 MKOMWLHWXIXMSO-WRPOGVCQSA-N 420.417 4.035 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)cnc2N)N1 587710523 DIPHPQXGLPTHDF-WJWGPLDTSA-N 404.205 4.208 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCC(=O)N3C)N1 587775750 UMBRKQOWRPRTDE-PRWKNARSSA-N 403.295 4.121 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(N)=S)cc2)N1 587844400 NQQBHXCPIHHLDV-XTZNXHDOSA-N 408.340 4.041 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C(F)(F)F)nc1 587867980 FYOIJCJULLAILW-UHFFFAOYSA-N 416.281 4.075 0 1 HIAF O=C(O)c1cc(-n2c(O)ccc2OCCCc2ccccc2)c(Br)cn1 587939014 GXPJAKSTQTVIHZ-UHFFFAOYSA-N 417.259 4.050 0 1 HIAF CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H](SCc3ccccc3)N[C@H]2C)cc1 618016565 BVDXXEPILRZNCN-GRWTVWFQSA-N 411.571 4.080 0 1 HIAF Cc1cn(CCC(=O)O)c(C)c1[C@]1(C)c2ccsc2CCN1Cc1cccnc1 963019874 ZAUUFYDFIMUOBX-QHCPKHFHSA-N 409.555 4.358 0 1 HIAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncs3)cc2NC(=N)C1 1772589740 POUSALTVZZQMLQ-UHFFFAOYSA-N 411.531 4.220 0 1 HIAF COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCCCN1C[C@@H](C)O[C@H](C)C1 1857572797 GUHIQNZDIVLZBP-YZSDCBCWSA-N 422.525 4.066 0 1 HIAF CCCCC[C@H]1OC(=O)c2c(C)cccc2Oc2ccc(O)c(CO)c2C=C[C@@H]1O 2356829331 IXKMZTKNAYOHND-PZJWPPBQSA-N 412.482 4.479 0 1 HIAF CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NCCCOC 2480371 BBNUAPIDGFXNAE-UHFFFAOYSA-N 410.470 4.182 0 1 HIAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 4049126 BUHLZPDPKUMJCR-UPVQGACJSA-N 407.558 4.360 0 1 HIAF O=C(N1CCOCC1)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccc(Cl)cc21 13758931 VGMAWNWJBMCHCB-UHFFFAOYSA-N 412.852 4.104 0 1 HIAF COc1cc(O)c([C@@H]2CC(=O)c3c(O)cc(OC)c(CC=C(C)C)c3O2)c(O)c1 14648234 SABJGAJVBSRRQW-IBGZPJMESA-N 400.427 4.036 0 1 HIAF biogenic Cc1cc(-n2ccnc(NCCc3c[nH]c4ccccc34)c2=O)ccc1Br 15732424 KQZFYXSAZAYUJG-UHFFFAOYSA-N 423.314 4.439 0 1 HIAF CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc2c(c1)CCCN2C 18182450 YLOVZYPOHQLBAH-GOTSBHOMSA-N 408.542 4.450 0 1 HIAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1OS(=O)(=O)O 31494771 QQNKOSWYTHSEOP-UHFFFAOYSA-N 411.650 4.472 0 1 HIAF CC[C@H](CO)Nc1nc(Nc2ccc(-c3ccncc3)cc2)c2ncn(C(C)C)c2n1 40395317 OIAXHKYMISZFIW-GOSISDBHSA-N 417.517 4.396 0 1 HIAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\CCCCCCCCCCCO)C(=O)O1 45365431 BILGEJGOAACGBI-CMYVBNMBSA-N 412.567 4.073 0 1 HIAF C[C@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(C(=O)O)cc2)C1=O 72106762 WXXNFNQJCUQPBK-HSZRJFAPSA-N 418.405 4.398 0 1 HIAF O=C([C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1)N1CCCCC1 82085403 IHNVOTCXBUKXMR-NRFANRHFSA-N 403.482 4.112 0 1 HIAF C[C@@H]1Oc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn(c23)[C@H]1c1ccccc1 95555439 FXXPMGSAZPNOGM-KSFYIVLOSA-N 402.494 4.434 0 1 HIAF CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc2ccc(Oc3nc4cnccc4s3)cc2o1 95598152 IMLKPKQTIDHVCY-HOTGVXAUSA-N 420.494 4.035 0 1 HIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 104083742 JTJCTZZQNZOJNB-XMSQKQJNSA-N 410.514 4.283 0 1 HIAF CC(C)N(c1ncc(Cl)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118881668 IMTBURCVIUELNE-HNNXBMFYSA-N 416.884 4.081 0 1 HIAF CC(=O)N1CCC(c2cccnc2O[C@H]2C[C@H](Nc3ccc4ccccc4n3)C2)CC1 146067882 KWFULDZYTGWUOZ-OYRHEFFESA-N 416.525 4.378 0 1 HIAF O=C(CC1CCCC1)Nc1ccc(NC(=O)N2Cc3ccc(C(=O)O)cc3C2)cc1 166958587 JXKUNKFBQPUWPE-UHFFFAOYSA-N 407.470 4.451 0 1 HIAF Nc1cnc(-c2ccc(C3CCC3)c(OCCc3ccc(C(=O)O)cc3)c2F)cn1 224566434 NVEVAAMCFCPAPL-UHFFFAOYSA-N 407.445 4.452 0 1 HIAF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 299877020 GPOBRHWJZYGGCV-AVCGJXAMSA-N 422.912 4.472 0 1 HIAF COc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Cl 586946216 UUPROVGATWSHOX-UHFFFAOYSA-N 423.903 4.025 0 1 HIAF Cc1ccc(-n2ccnc2SCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C)c1 586966085 DGNBMJAWZKYIFO-UHFFFAOYSA-N 405.527 4.360 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 587124778 CJEHIOXKMPCHGL-JMCQJSRRSA-N 413.787 4.174 0 1 HIAF Fc1cccc(C2(F)CC(c3nc4cc(I)cnc4[nH]3)C2)c1 587131671 RGLPESXAYDSRSV-UHFFFAOYSA-N 411.193 4.444 0 1 HIAF Cc1cnc(Cl)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc12 587240788 WWDJUFLJZISEPM-PYDTXJQDSA-N 420.941 4.475 0 1 HIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc3c(c2)CCC3)[C@H]1c1ccc(F)cc1 587355178 TWLSJWAPBXTDIC-WIOPSUGQSA-N 418.420 4.359 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 587552901 SYISIJFHPOMQCQ-PXNSSMCTSA-N 421.840 4.339 0 1 HIAF Cc1ccc(CNC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577232 JWNMNYKYDIUNCC-RDGATRHJSA-N 417.461 4.127 0 1 HIAF Cc1ccc([C@]2(c3ncccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587586673 LHQCNIAMHZEBOI-BWKNWUBXSA-N 410.429 4.396 0 1 HIAF COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587590328 BZHBQRLZHVTQDM-URXFXBBRSA-N 406.434 4.372 0 1 HIAF CC1CCN(C[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 587660510 GFTJVJRIRSJPPI-KRWDZBQOSA-N 407.489 4.211 0 1 HIAF CCOC(=O)[C@]1(CCC(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587711099 VWHCUGFHQLLURJ-RFAUZJTJSA-N 412.221 4.223 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\C(=O)O)(c2ccc(F)cc2)N1 587729229 CLCVUFDHXBXEKV-PWXOESSWSA-N 408.242 4.146 0 1 HIAF Cc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587746246 ZIIAJUGBIJSRRL-BUXKBTBVSA-N 406.299 4.070 0 1 HIAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O 587809863 VNLQZAGVTOQTHF-GIGQVBGESA-N 408.267 4.146 0 1 HIAF COC(=O)c1ccc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2c1 587927615 SWEDVZPNYDUOQD-UHFFFAOYSA-N 404.422 4.406 0 1 HIAF COc1cc(C)c(CNC[C@H](NC(=O)c2cc(C)on2)c2ccc(F)cc2)cc1C 653856208 GUUSHOABIYMOKQ-NRFANRHFSA-N 411.477 4.008 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@](C[C@H]2CCCCCN2)(c2ccccc2)N1)C(F)(F)F 962763276 JYNFOYOPTAFLJB-NWSQWKLXSA-N 416.487 4.498 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)N(C)c1c(C)cc(Br)cc12 962946193 KOUHUVWIJIYKGE-RCDICMHDSA-N 424.342 4.383 0 1 HIAF C[C@]1(c2c(F)cccc2N2CCOCC2)c2ccsc2CCN1Cc1cccnc1 963014225 RTUUHUTYCIEBJC-XMMPIXPASA-N 423.557 4.441 0 1 HIAF CCCC(=O)Nc1nc2ccc(NC(=O)CSc3cccc(O)c3)cc2s1 1772597614 WIXNSAOMTXMWGH-UHFFFAOYSA-N 401.513 4.471 0 1 HIAF O=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)C[C@@]1(CO)c1ccc(F)cc1 1772606183 TWFRJVDERSSRTP-HSZRJFAPSA-N 407.420 4.495 0 1 HIAF O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ccccc1C(F)F 1772611395 VEADERCDTCHJII-STQMWFEESA-N 400.351 4.196 0 1 HIAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)nc2)CC1 1772643797 HRQXACYUDOKFBF-QAQDUYKDSA-N 416.449 4.403 0 1 HIAF COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC)[C@@H](C)[C@H](C)C2 2356434878 HZQALWQXBWOKBO-XAAFQQQXSA-N 416.470 4.330 0 1 HIAF COc1c(Cl)c(C)cc(O)c1C(=O)c1cccc(OC=C[C@@H](C)C(=O)O)c1C=O 2356692025 GAZYEUATOWFTEU-LLVKDONJSA-N 418.829 4.019 0 1 HIAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccsc1 774123 DMMQPRVBFBCFLD-DYVFJYSZSA-N 400.500 4.216 0 1 HIAF CS(=O)(=O)Nc1cccc(-c2nc(NCc3cccs3)c3ccccc3n2)c1 4257437 JEUXYGGARQOBNE-UHFFFAOYSA-N 410.524 4.342 0 1 HIAF aggregator Cc1cccc(CNC(=O)CCCN2C(=O)c3cccnc3Oc3ccccc32)c1 6878156 ZHEREDJISQMMHE-UHFFFAOYSA-N 401.466 4.239 0 1 HIAF CCCCNc1nc2c(S(=O)(=O)c3ccc(C)c(C)c3)nnn2c2ccsc12 8589302 MHESYIOSEMELKG-UHFFFAOYSA-N 415.544 4.001 0 1 HIAF aggregator COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NN(C)C(=S)C2 13555785 FHRHPTYEYBZECA-UHFFFAOYSA-N 405.317 4.034 0 1 HIAF CCCc1ccc(-c2ccc(CCC[C@H](P(=O)(O)O)S(=O)(=O)O)cc2)cc1 13746370 IXJCCPSOPQUMBT-LJQANCHMSA-N 412.444 4.020 0 1 HIAF COc1ccc(Sc2ccc(Cl)cc2N2C[C@@H](C)N(CC(=O)O)C[C@@H]2C)cc1 28366837 JSVXVCHEVWOFFP-CABCVRRESA-N 420.962 4.483 0 1 HIAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1Br)CC[C@@H](c1ccccc1)C3 28871459 XRXMAHCSMSPKKN-OAHLLOKOSA-N 412.331 4.380 0 1 HIAF Cc1ccccc1-c1ccc2c(c1)C(=O)c1ccccc1[C@@H]1[C@H](C(=O)O)[C@H](C(=O)O)[C@H]21 29206943 FPPSDLIYYVXVBW-GSPCLOLRSA-N 412.441 4.489 0 1 HIAF CCO[C@H](Cc1ccc(OCCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O 34717778 QOQHJKLBIHRPEG-OAQYLSRUSA-N 410.470 4.089 0 1 HIAF Cc1cc(OCCCNC[C@@H]2CCCCN2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49052732 XGFAYQDGAQCKAI-SFHVURJKSA-N 410.537 4.486 0 1 HIAF COc1ccc(OC)c(-c2cccc3c(N)c4c(nc23)CN(C2CCCC2)C4=O)c1 71280661 SUBCTDHFKBVAQE-UHFFFAOYSA-N 403.482 4.400 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccccc1F 82152664 DAGCEZHQGUPFRM-MRXNPFEDSA-N 422.504 4.474 0 1 HIAF CCCCc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@@H]3CCCO3)n2)cc1 82193014 BVNCWSOAPSRLML-FPOVZHCZSA-N 413.587 4.417 0 1 HIAF CCn1cc(-c2ccc(CN3C(=O)[C@@](O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 95595673 CTCPWCSJPUAEEC-HXUWFJFHSA-N 419.378 4.006 0 1 HIAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1ccco1 103190704 XQELITFOWCWHER-OAHLLOKOSA-N 408.265 4.405 0 1 HIAF Fc1ccc(CNc2cn3c(-c4ccc(OC(F)F)cc4)nnc3cn2)cc1F 103303365 HQILIKFLQAQYLT-UHFFFAOYSA-N 403.339 4.283 0 1 HIAF O=S(=O)(Nc1ccccc1Cl)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142882971 YADZNZJJYXXYPH-UHFFFAOYSA-N 403.769 4.210 0 1 HIAF O=S(=O)(c1cccc([C@H]2CCOC2)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 143409167 RAEYAGONQNJXKR-AWEZNQCLSA-N 417.914 4.069 0 1 HIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)cccc21 144453709 XXKKFRHMFPXNRK-LJQANCHMSA-N 403.482 4.497 0 1 HIAF COc1cccc(N2CCN(c3cc(O)n(-c4ccc(F)c(Cl)c4)c3O)CC2)c1 169689359 FXFIUULICYWRBL-UHFFFAOYSA-N 417.868 4.016 0 1 HIAF c1cc2c3cnc(Nc4ccc(N5CCNCC5)cn4)cc3n(C3CCCC3)c2cn1 169706730 JESGKYVOWCEUEO-UHFFFAOYSA-N 413.529 4.248 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(Cl)cc2)c1 169706978 VLYDWBJWTRRASS-KRWDZBQOSA-N 422.916 4.220 0 1 HIAF CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cn1)C(=O)O 204761993 KBYMCUBCOVUPIR-UHFFFAOYSA-N 406.364 4.042 0 1 HIAF Cn1ccc(CN2CCOc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3C2=O)n1 206206884 MKAAVFTTYURDPX-UHFFFAOYSA-N 417.387 4.021 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCCOC4)n3)c(Cl)cn2)CC1 261141590 NDOZPWULCVWYRD-BRWVUGGUSA-N 415.969 4.317 0 1 HIAF O=c1c2ccccc2ncn1CCCCCN1CCN(c2ccc(Cl)cc2)CC1 299861290 IDPNQWSNDOTCKF-UHFFFAOYSA-N 410.949 4.042 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C)c(Cl)cc2[nH]1 586937627 RDOQDKOTWDSGJI-HNNXBMFYSA-N 409.964 4.297 0 1 HIAF Cc1ccc(-c2nnc(SCc3nc4cc(Br)cnc4[nH]3)n2C)cc1 586965370 OTZROKGTRRCHTA-UHFFFAOYSA-N 415.320 4.117 0 1 HIAF COC(=O)C1(c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)CCOCC1 587100533 CEGXGWMFMROTDA-UHFFFAOYSA-N 401.462 4.284 0 1 HIAF CCn1nccc1[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338358 CGCRAHJDICLQRT-VHUOBLMZSA-N 421.472 4.077 0 1 HIAF O=C1C[C@H]([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CO1 587361188 XXWUIRWDXFEYGS-FIMBPPNMSA-N 418.420 4.349 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)O2 587395775 OKBXZPHNMGNPCV-WAIKUNEKSA-N 400.519 4.481 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCC4)O2 587409333 RNBDLNDXQUUFBF-PWECECGKSA-N 419.477 4.364 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1Cc1ccc([C@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587446256 BFQKLYWOWBBNHL-UGOJKKMYSA-N 406.478 4.412 0 1 HIAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O 587597287 QORKDAOHGJYAKU-DENIHFKCSA-N 406.390 4.192 0 1 HIAF COC(=O)C[C@@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587725588 FEGREDABNVLYQG-WLRWDXFRSA-N 410.258 4.068 0 1 HIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1-n1cccn1 587757902 HZVXYCLOHGJHJX-KZULUSFZSA-N 401.283 4.101 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(=O)n(C)c3ccccc23)N1 587771989 UWYNUNFIYZUQSD-BIBXISHDSA-N 401.279 4.064 0 1 HIAF Cc1[nH]c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1CCC(=O)O 587795501 XSRHDAWIYUESCI-ZRNGKTOUSA-N 409.299 4.174 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3sc(N)nc23)N1 587859351 WBWFMZSLOFXXEA-NIVTXAMTSA-N 406.324 4.578 0 1 HIAF NC(=O)N1CCc2sccc2[C@@H]1C[C@@H]1CCCCN1C(=O)OCc1ccccc1 962713908 PWKBRUWGFDDIJH-HKUYNNGSSA-N 413.543 4.307 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(OCc3ccccc3)c(Cl)n1)NCC2 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HIAF Cc1cc([C@@H]2[C@@H]3CC[C@H](C[C@H]2c2ccc(I)cc2)N3C)on1 26659007 BWXFANYCYSQZCJ-CVYDXHPNSA-N 408.283 4.322 0 1 HIAF Cc1ccn(-c2ccc(C(=O)N3CC4=CCC(=O)N4Cc4ccccc43)c(Cl)c2)n1 28824038 RBXBLNFMHMFMSD-UHFFFAOYSA-N 418.884 4.111 0 1 HIAF CN1CCC[C@H](n2cc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cccnc32)C1 28862350 LTLJCRZLNGLYAB-HNNXBMFYSA-N 423.460 4.155 0 1 HIAF CCc1nc(NC(COC)COC)c(CC)nc1Nc1ncc(Cl)cc1Cl 28956198 BPRPWSIDDAZAMV-UHFFFAOYSA-N 414.337 4.120 0 1 HIAF CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccccc4C)CC3)ccc2[nH]1 45245992 YXILNWGOVXGLLV-UHFFFAOYSA-N 421.541 4.244 0 1 HIAF in-vitro COc1cc(Nc2cncc(Oc3cccc4c3CCC4=O)n2)cc(OC)c1OC 45483991 KHGAQBPCJBIPQG-UHFFFAOYSA-N 407.426 4.167 0 1 HIAF Cn1cc(Cc2nn([C@@H](C(=O)O)c3ccccc3)c(=O)c3ccccc23)c2ccccc21 68198734 JXEAVXZALMHYOT-XMMPIXPASA-N 423.472 4.153 0 1 HIAF CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)O1 72141550 SRCFYHFLMLAPBI-HSZRJFAPSA-N 407.489 4.048 0 1 HIAF COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N(C)C(C)C)n2)cc1 82066318 QXIBTDYERCKLDV-UHFFFAOYSA-N 415.444 4.407 0 1 HIAF COc1cc(-c2cc3c(cn2)nc(NCc2ccccc2)n3C)cc(OC)c1OC 82078356 BSVKSGDGBZXCQU-UHFFFAOYSA-N 404.470 4.273 0 1 HIAF CCN(Cc1ccccc1)C(=O)c1cnc(NCCCOC)nc1-c1ccccc1F 82159651 BTQGSXPGFKYEQA-UHFFFAOYSA-N 422.504 4.393 0 1 HIAF CC1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](c2cccc(O)c2)NC(=S)N1 103294993 GHOBITXPHSKDFC-INIZCTEOSA-N 408.310 4.131 0 1 HIAF CSc1ccc(Nc2ccc(CCNC[C@@H](O)c3ccc(O)c(CO)c3)cc2)cc1 169351236 SAMMCBWSNUJQFF-XMMPIXPASA-N 424.566 4.216 0 1 HIAF CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2cccc(Cl)c2)CC3)n1 169702284 YMDWAJKFRMSSOA-UHFFFAOYSA-N 405.893 4.256 0 1 HIAF COC1CCC2(CC1)Cc1ccc(-c3cccc(Cl)c3)cc1[C@@]21N=C(N)N(C)C1=O 201208601 ZGMXAXRVEMIDBS-TVNWEXPRSA-N 423.944 4.121 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cccc(O)c3[nH]1)C(=O)OC2 586915579 OGXKKUBBYKGUOM-GHXNOFRVSA-N 408.454 4.083 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)CC2)cc1 586954787 IQOKRVOBRZXYRP-UHFFFAOYSA-N 423.460 4.458 0 1 HIAF CC1=C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@@H](C)n2ncnc2N1C 586990041 UINGEKWBXQHFTG-CYBMUJFWSA-N 409.449 4.185 0 1 HIAF CCn1cc(Br)c(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)n1 586999956 GNPFXSQWBYGFBP-UHFFFAOYSA-N 409.287 4.364 0 1 HIAF Cc1nc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2cc1Br 587127135 SANCHBYQPHDIMV-UPONEAKYSA-N 415.217 4.200 0 1 HIAF COc1ccc(NC(C)(C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587201118 GEDUEVMZXCPQBS-UHFFFAOYSA-N 413.421 4.212 0 1 HIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 587245693 XMLZIXBXUJYYNR-UHFFFAOYSA-N 416.416 4.027 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(F)c(F)cc1C(=O)O)[C@@H](C2)C3=O 587423955 MBFTVULLOXSKRY-BXKMTCNYSA-N 422.383 4.363 0 1 HIAF COc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575466 BYTPFUYKVRSPOC-QPPBQGQZSA-N 419.433 4.150 0 1 HIAF O=C(Nc1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1)c1ccc(F)cc1 587652216 YOXURWADIVVPCJ-UHFFFAOYSA-N 421.815 4.130 0 1 HIAF O=C(Cc1nc2ccccc2[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657669 DDEQZUPTHVWMSW-UHFFFAOYSA-N 416.387 4.101 0 1 HIAF C[C@@H](Oc1ccccc1F)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658574 PDXCQGYIQBCRSK-CQSZACIVSA-N 406.388 4.449 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)n(C)n2)N1 587712268 KHAOLBQZWJNHJD-GLEZIHRCSA-N 406.221 4.138 0 1 HIAF COC(=O)N(C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 587741478 NKWGYZOYQSGBRB-BLLLJJGKSA-N 407.283 4.437 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2ccccn2)N1 587752809 GIFRHPIJBFPCDO-ZUOKHONESA-N 400.295 4.457 0 1 HIAF COc1nc(N2CCCC2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587765976 LPHLMHRQPOAZGU-BLVKFPJESA-N 420.326 4.216 0 1 HIAF Cc1cc2ncc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)n2n1 587799377 YMEOJHUZBLJRIR-APBUJDDRSA-N 403.299 4.045 0 1 HIAF CCCNc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587853923 SIKYPJCXIQYEAI-MLCYQJTMSA-N 412.372 4.973 0 1 HIAF CC(=O)NCCNc1cc(N2CCCc3ccc(F)cc3C2)nc2ccc(C)cc12 1857635072 TYYNVIWQZZRXHX-UHFFFAOYSA-N 406.505 4.183 0 1 HIAF CSc1ccccc1OCc1cc(C(=O)N2CCN(c3ccccc3)C[C@H]2C)no1 12308593 GVIRQIICSFDKFT-QGZVFWFLSA-N 423.538 4.326 0 3 HIAF O=C(O)C[C@](O)(CSCCCCCCc1ccccc1-c1ccccc1)C(=O)O 13758298 AABRCJOCZXVLOE-QHCPKHFHSA-N 416.539 4.480 0 1 HIAF CCCCCCOc1c(OC)cc(C(=O)OCCc2sc[n+](C)c2C)cc1OC 26263224 FTJXUTWAODYZQL-UHFFFAOYSA-N 422.567 4.257 0 1 HIAF CCn1c(=O)n2c(c/c1=N\c1c(C)cc(C)cc1C)-c1cc(OC)c(OC)cc1CC2 29239350 ZVQQLAGXLKLVOD-WNAAXNPUSA-N 419.525 4.068 0 1 HIAF C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H]1C(C)(C)[C@H](O)CC[C@]1(C)O 31170084 HBYBDKQFQLMBGU-QYQYHAIPSA-N 400.515 4.446 0 1 HIAF O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2cccc(=O)[nH]2)on1 45298363 KDNJHFFRVMRZLF-QZTJIDSGSA-N 403.482 4.109 0 1 HIAF Cc1cccc(-c2nn(Cc3cccc(C(N)=O)c3)cc2-c2ccc3ncccc3n2)n1 49807612 QXOFPMCSEIPTGK-UHFFFAOYSA-N 420.476 4.011 0 1 HIAF Cc1ccc(CNc2ncnc3c2nc(CC(C)C)n3CC[C@@H]2CCCN2C)cc1 82179295 ORGMIMNEGYUEEK-FQEVSTJZSA-N 406.578 4.430 0 1 HIAF CNC(=O)c1cc(Oc2ccc(NC(=S)Nc3ccc(F)c(F)c3)cc2)ccn1 84653342 OCMVKSMZVMTNNB-UHFFFAOYSA-N 414.437 4.321 0 1 HIAF N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2cccc(-c3ccc(O)cc3F)n2)C1 96177649 ULCNUMDONBNGGP-WBVHZDCISA-N 405.473 4.399 0 1 HIAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@H]1CC(c1ncc[nH]1)(C3)C2 101065166 XGDUOZKIZRASEM-PULRJNIHSA-N 413.949 4.483 0 1 HIAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)C[C@H](C)NCc1ccccc1 114099247 MZXDEHVXSCJFOD-FQEVSTJZSA-N 410.558 4.401 0 1 HIAF CCN(CC)CCOc1ccc2c(c1)C1(CCNCC1)c1[nH]c3ccccc3c1C2=O 146632748 GGYVQDJNEABTCR-UHFFFAOYSA-N 417.553 4.102 0 1 HIAF Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(O[C@@H]4CCCNC4)n3)c2c1 149999946 LRZCLGRWOPGGBZ-CQSZACIVSA-N 407.424 4.096 0 1 HIAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)C[C@H]5O[C@]54[C@@H]3CC[C@@H]2C1 255257131 OXIATHILTZZSGH-ROFDABFFSA-N 414.542 4.192 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(SC)cc2[nH]1 586935934 JYYAROLBWZQINI-INIZCTEOSA-N 407.586 4.058 0 1 HIAF CCS(=O)(=O)c1ccc2nc(COc3ccc(Br)cc3C)[nH]c2c1 586981238 MRXHSOKDGUONBV-UHFFFAOYSA-N 409.305 4.006 0 1 HIAF Nc1cc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2cn1 586984200 OHJGNZOBUUZVKQ-UHFFFAOYSA-N 408.259 4.222 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047954 CPOLCBGBPKLAMC-RYUDHWBXSA-N 410.326 4.391 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(=O)Nc3ccccc3)cc1)O2 587390064 NOTPIHUUVWNLMZ-RUZDIDTESA-N 416.477 4.475 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1)O2 587407729 IXJDRRRWGXEQLS-OYLFLEFRSA-N 407.466 4.492 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](C1CC3(C1)CN(C(=O)OC(C)(C)C)C3)CC2=O 587473887 CROLTPNBOBCZHE-LJQANCHMSA-N 401.503 4.326 0 1 HIAF O=C1C[C@@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3Cc2ccccc2)Oc2c1ccc1c2CCCC1 587518265 DMTXLBUHTIKXKI-DPPFLCKZSA-N 403.522 4.067 0 1 HIAF COc1ccccc1[C@]1(CNC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570820 JNGOULWSFPLOJJ-RDGATRHJSA-N 419.477 4.256 0 1 HIAF CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580832 FBQKFSZHQZYJSY-FBJLLXQBSA-N 409.482 4.294 0 1 HIAF COCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587599187 WIQFWXIJJHGZEZ-XUZZJYLKSA-N 422.433 4.129 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(C)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617398 PCSBHGVSTPCHKL-OFNKIYASSA-N 408.406 4.104 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(C2CCOCC2)N1 587778608 NIVWVRWTIPJOTO-ZUOKHONESA-N 405.311 4.188 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3sc(N)nc32)N1 587859388 WLHNPBDPWIEPAK-DYBLOJMWSA-N 410.356 4.377 0 1 HIAF COc1ccc(-c2cc(C(=O)N[C@H](CC3CCCCC3)C(=O)O)c(C)o2)cc1OC 621431090 NGXPGKRDLAARHU-GOSISDBHSA-N 415.486 4.426 0 1 HIAF C[C@@]1(CC(=O)NC2CCCC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950584 HIRUFMJFBJHOHB-FQEVSTJZSA-N 410.480 4.021 0 1 HIAF FC(F)(F)C1CCN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)CC1 1772597057 CFYKFXXPQVORBG-HDJSIYSDSA-N 406.456 4.154 0 1 HIAF C[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1OS(=O)(=O)O 2356552762 BJLIZEUOFAZAFA-KIMCTKHYSA-N 400.581 4.214 0 1 HIAF O=C1N[C@@H](Cc2ccccc2)c2nc3ccc(F)cc3c(=O)n2-c2cc(Cl)ccc21 61949314 SJULNTRADCHVLW-IBGZPJMESA-N 419.843 4.205 0 3 HIAF COc1ccc(C[C@@]2(CCC(=O)N3CCC[C@H]3c3ccc(F)cc3)CCC(=O)N2)cc1 12453779 RQFAPOSFUJNKIG-DHLKQENFSA-N 424.516 4.170 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1c(-c2ccccc2)noc1C 13212390 ODOXTRYGHUAHES-PXNSSMCTSA-N 410.470 4.225 0 1 HIAF CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(Cl)c2)C1=O 15956389 LFPAYPUPVJUEMY-NFBKMPQASA-N 421.928 4.306 0 1 HIAF biogenic CCCCCC[C@@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NCc1ccccc1 26747311 ROSKDGQAKQKTRP-JWIKTPOESA-N 422.525 4.170 0 1 HIAF Cc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)c2c1[C@H](C)CC(=O)N2 28527332 JFLGKAWVPPPTKB-QGZVFWFLSA-N 420.582 4.415 0 1 HIAF CCOCCn1/c(=N/C(=O)c2cccc(C(F)(F)F)c2F)cc(C(C)(C)C)n1C 29124427 FCUJYBBHOFEHCA-PCLIKHOPSA-N 415.431 4.060 0 1 HIAF CN1C[C@H](C(=O)OCCO)C[C@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@@H]21 29483011 KIIBBCNQABCMRJ-JZWVFAODSA-N 410.558 4.032 0 1 HIAF COc1cccc(-c2nc3sc4c(c3c(=O)n2Cc2ccncc2)CCCC4)c1 34855127 RUBJPUWETQYTKP-UHFFFAOYSA-N 403.507 4.456 0 1 HIAF CC(C)=CCc1c(O)cc2occ(-c3ccc4c(c3)C[C@@H](O)C(C)(C)O4)c(=O)c2c1O 38968540 ZQFVIWLMWIBTMY-OAQYLSRUSA-N 422.477 4.454 0 1 HIAF biogenic,in-vitro O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(Cl)cc2)nc1 49114496 RVCJMLBYBBJSCR-UHFFFAOYSA-N 412.942 4.064 0 1 HIAF COc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2C[C@@H]2CCCO2)cc1 82178230 UPYIXYOLOMHLSE-FQEVSTJZSA-N 415.497 4.293 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)C4=C(C(=O)OC4)[C@@]3(C)[C@H](O)C[C@H]21 142531285 JATZQTKLRUQDOB-VYXBSXJOSA-N 402.575 4.240 0 1 HIAF Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 142906037 HNHPUPCBAQSHTI-CYBMUJFWSA-N 405.483 4.187 0 1 HIAF COc1cc([C@@H]2[C@@H](C)[C@@H]3[C@H](C)Oc4c(c(=O)[nH]c5ccccc45)[C@@H]32)cc(OC)c1OC 169338484 XSQTWHNZXOUNIA-UCCCNAJCSA-N 421.493 4.468 0 1 HIAF COc1cccc(OC)c1-c1cc(Cl)cc([C@@H](CC(=O)O)c2nnc(C)o2)c1 219435638 CBBJLBWYZFKWIY-OAHLLOKOSA-N 402.834 4.322 0 1 HIAF CCN(CC)C(=O)Oc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1 299858861 DXZGBAWOHVWIDA-UHFFFAOYSA-N 413.426 4.023 0 1 HIAF Oc1ccc(C2(c3nc4cc(Br)c(F)c(F)c4[nH]3)CCOCC2)cc1 586913141 NDDUEMHAFDXNFY-UHFFFAOYSA-N 409.230 4.406 0 1 HIAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3ccccc3cc2[nH]1 586947236 ZSJDZCHEAXBLSA-GOSISDBHSA-N 421.522 4.149 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013215 PKSIVTXXMCKDMR-UHFFFAOYSA-N 412.334 4.120 0 1 HIAF O=C(O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026532 LLGFKNDZMMQUFZ-JLSDUUJJSA-N 409.511 4.398 0 1 HIAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]3c4cc5c(O)nc(O)nc5nc4C[C@@]3(C)CC[C@H]12 587561885 XSOLNHBMMMFIMO-IQWRYUKUSA-N 409.530 4.069 0 1 HIAF C[C@H](C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O 587567126 DVEHQPZPRWDVLM-UCWRBECXSA-N 422.408 4.499 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595047 MKOMWLHWXIXMSO-JOGUKUGOSA-N 420.417 4.035 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597831 SAXCHBMPDZSKDV-GBXCKJPGSA-N 404.418 4.121 0 1 HIAF CCOC(=O)[C@H](Cc1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598348 TYUQSXKZYZBBDS-UTSGNWPNSA-N 418.445 4.144 0 1 HIAF CC(=O)OCc1csc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587613204 MWRDQECDWHTNEX-DENIHFKCSA-N 410.447 4.394 0 1 HIAF COc1ccc(-n2cccn2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587761423 UGIRJQRFRCRHNK-FKIZINRSSA-N 416.294 4.406 0 1 HIAF C[C@H](Oc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O 587798268 ZHUIQEJECWASQR-DDBGAENHSA-N 408.267 4.064 0 1 HIAF CC(C)c1nn(C)c2c1[C@@]1(NCC2)C(Br)=COc2ccc(Cl)cc21 962921970 VDIVFKGKEUPFJY-SFHVURJKSA-N 408.727 4.215 0 1 HIAF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(F)cc1Br 963224409 BXJIAUIMINHGID-MOPGFXCFSA-N 415.262 4.133 0 1 HIAF Cc1cc2c(cc1O)[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)N[C@H](C(=O)O)C2 963550067 KBHYVGVHZYRFME-GOEBONIOSA-N 419.321 4.427 0 1 HIAF CN1CCc2cnn(C)c2[C@@]1(CCc1cc(F)c(F)c(F)c1)c1cccc(F)c1 963955676 RGBYUDYGXDLFQK-JOCHJYFZSA-N 403.423 4.341 0 1 HIAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356286169 WWVIWQQMQIFPHS-LZLYRXPVSA-N 415.509 4.080 0 1 HIAF COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCCCC3)[C@H]2c2ccc(F)cc2)cc1 4101680 QHTDMJVJHKYWSF-JTHBVZDNSA-N 410.489 4.331 0 3 HIAF CC(=O)N1CCCN(Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 12708701 PGDWQIMTUBQJTL-UHFFFAOYSA-N 402.542 4.210 0 3 HIAF CC(C)COC(=O)N1CCCC[C@H]1c1cc(C(=O)NCc2ccc(F)cc2)no1 61903302 XATOVZJIKAGGHZ-SFHVURJKSA-N 403.454 4.063 0 3 HIAF O=C(NC[C@H]1CCC2(CCN(Cc3cc4ccccc4o3)CC2)O1)c1ccccc1 12020292 DKNPTCLLLPNCCL-OAQYLSRUSA-N 404.510 4.376 0 1 HIAF Cc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 13452466 ARZIOMWQBRPJMY-UHFFFAOYSA-N 420.532 4.283 0 1 HIAF CN1C(=O)c2c(nc(CC3CCCC3)n2Cc2ccccc2)N2CC3(CCCC3)N=C12 13763688 RMBOGQJRGCGRGT-UHFFFAOYSA-N 417.557 4.239 0 1 HIAF COC(=O)C(C)(C)CCCOc1cccc(OC)c1OCCCC(C)(C)C(=O)OC 25975279 MDLWEEATAWCVEX-UHFFFAOYSA-N 424.534 4.412 0 1 HIAF CCOC(=O)c1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1 36126954 ORDOTDQORVZNKP-UHFFFAOYSA-N 405.472 4.196 0 1 HIAF CCc1ccc(-c2ccc(CCOc3ccc(NC(=O)[C@@](C)(N)CO)cc3)cc2)cc1 40901226 REFPNKOWHPOSQU-SANMLTNESA-N 418.537 4.186 0 1 HIAF CN1CCN(c2nsc3ccc(-c4ccc(OCCN5CCCC5)cc4)cc23)CC1 45186763 NBMDZGVXARLEQN-UHFFFAOYSA-N 422.598 4.190 0 1 HIAF O[C@H](CNCc1ccccc1Br)Cn1c2c(c3ccccc31)CCCC2 73160652 JCXSUWGEZVBQJD-QGZVFWFLSA-N 413.359 4.433 0 1 HIAF O=C1CO[C@H](COc2cccc3[nH]c4ccccc4c23)CN1CCOC1CCCCC1 96939971 WPXCQEUFXIGSID-IBGZPJMESA-N 422.525 4.277 0 1 HIAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1Br 103538463 WTLHZBJMZHGZBD-HNNXBMFYSA-N 421.320 4.443 0 1 HIAF Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(Cl)c2)CC3)nn1C 169702347 AEVGSVIPXQRBJX-UHFFFAOYSA-N 419.920 4.005 0 1 HIAF C[C@H](Nc1nccc(N2C(=O)OC3(COC3)[C@H]2c2ccccc2)n1)c1ccccc1 222599732 XHGYTCDIBZJNNA-OXJNMPFZSA-N 402.454 4.117 0 1 HIAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@]23[C@@H]4[C@H]5C[C@@H]6[C@@H]4[C@]4(OCCCN42)[C@H]2[C@H]6[C@@H]5[C@H]23)cc1 253651386 RQXVHLUYOBCSQY-HYAGOVSDSA-N 419.565 4.048 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 299884332 SWGYVGTXKHCPCJ-KZCJGOGDSA-N 418.896 4.094 0 1 HIAF O=C1CCc2cc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3cc2N1 587016968 GHVJVZHLMLFFIU-UHFFFAOYSA-N 412.478 4.863 0 1 HIAF COc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C(F)(F)F)c1 587098878 YETCXTLILNWFMV-UHFFFAOYSA-N 415.375 4.317 0 1 HIAF O=C(N[C@@H](c1ccccc1)c1nc2ccnc(Br)c2[nH]1)c1ccccc1 587217115 BBVSGHBWFJCZSG-INIZCTEOSA-N 407.271 4.240 0 1 HIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587243813 BLOKFDMOEKNPDY-UHFFFAOYSA-N 402.241 4.404 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)ccnc1N1CCCCC1)O2 587378541 VBVZWZYYTWEXGZ-KRWDZBQOSA-N 416.319 4.432 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(CNC(=O)OC(C)(C)C)cc1F)[C@@H](C2)C3=O 587425936 IJLSUNLRFHRPGR-KKSFZXQISA-N 413.445 4.348 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1c(C)nn(-c3ccccc3)c1C)CC2=O 587474061 AAAZLCSVTDRJMR-XMMPIXPASA-N 420.465 4.093 0 1 HIAF CC(C)n1ncc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc21 587583704 WUYMESITQGTLRN-SIKLNZKXSA-N 401.422 4.421 0 1 HIAF COC(=O)[C@H](C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592285 JSCQCQLZSZDXKU-VNJOCVIMSA-N 404.418 4.058 0 1 HIAF CCOC(=O)CCc1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587621403 DONUSAIFNYNQJK-UHFFFAOYSA-N 404.186 4.321 0 1 HIAF COc1ccc(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587658969 WHWPDYMCGKGXKU-UHFFFAOYSA-N 402.425 4.484 0 1 HIAF COc1ccc2[nH]c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587775805 ADLIMZSYRPJRRL-OVWNDWIMSA-N 417.278 4.062 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccncc12 587778868 OLEPWHOCZLQKSL-VERVWZFWSA-N 423.285 4.354 0 1 HIAF COC(=O)c1[nH]c(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587791422 MBGHZYQDYCYGTA-AYLIAGHASA-N 409.299 4.117 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798913 PQECVVVLHUVXBF-ZUOKHONESA-N 406.295 4.238 0 1 HIAF COc1cccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1OC 587862462 OTHGMKPCLWYRGB-UHFFFAOYSA-N 406.360 4.283 0 1 HIAF Cc1c(C)c2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2oc1=O 653687441 IPJZSNUPIXZHAU-UHFFFAOYSA-N 406.526 4.043 0 1 HIAF CCCc1ccc([C@@]2(C[C@H](C)CC(=O)O)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962915096 ANXLOZZUWMCJMR-OECQAKIHSA-N 413.489 4.122 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)c1ccns1 963841738 RAJOMOLBMRACCI-QVKFZJNVSA-N 402.516 4.352 0 1 HIAF O=C(Nc1nc[nH]n1)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772589077 XSROGNNGJPKVSF-PKNBQFBNSA-N 422.452 4.242 0 1 HIAF CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21 1772643504 ZYDSDRZMIWGATN-HOTGVXAUSA-N 414.945 4.068 0 1 HIAF CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2cc(C)ccc2C)CC1 95569957 XJVDTULWVAGZFV-QHCPKHFHSA-N 404.562 4.002 0 3 HIAF COc1ccc([C@@]2(O)C(S(=O)(=O)c3ccc(C)cc3)=Cc3ccc(OC)cc32)cc1 1856511 LCMRHQDFGVSKEF-DEOSSOPVSA-N 422.502 4.077 0 1 HIAF COc1ccccc1NC(=O)CN1C(=O)C[C@@H](c2ccco2)Sc2ccccc21 5053334 QMIYMTSCRXNXLN-FQEVSTJZSA-N 408.479 4.497 0 1 HIAF C[C@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1 10450365 QOBSOSGAGQUIOA-LLVKDONJSA-N 421.824 4.023 0 1 HIAF C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CCc1ccccc1-c1ccccc1 13587117 ODZVSOPOSFXRJM-FYWRMAATSA-N 412.315 4.459 0 1 HIAF COC1(c2sc(Sc3ccc4c(c3)CCC(=O)N4C)nc2C)CCOCC1 27307160 DZWLXGOMXPGGJN-UHFFFAOYSA-N 404.557 4.164 0 1 HIAF O=C(C1=N[C@H](c2c[nH]c3cc(Br)ccc23)CN1)c1c[nH]c2ccccc12 34239858 BYNAFSYAUGRDSZ-SFHVURJKSA-N 407.271 4.337 0 1 HIAF biogenic CC(=O)c1cnc(N2CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c(Cl)c1 38157626 LLBAMDKUHRHNSH-UHFFFAOYSA-N 423.826 4.159 0 1 HIAF Cc1c(CN2CCN(C(=O)Nc3ccc(N(C)C)nc3)CC2)sc2ccccc12 43074914 NBHDBULOBVNLOV-UHFFFAOYSA-N 409.559 4.020 0 1 HIAF COc1ccccc1C1=C(c2ccccc2)C(=O)N/C1=C\c1ccc(/C=C/C(=O)O)o1 45353971 ZZXYLZIUUBKEFT-MCDHDYCYSA-N 413.429 4.468 0 1 HIAF NC(=O)c1cnc(NC[C@@H]2CCCCN2)c2cc(-c3ccc(Cl)cc3)sc12 64560326 HNDIPDMUONQEIX-AWEZNQCLSA-N 400.935 4.270 0 1 HIAF O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(-c2ccccc2)oc1C(F)(F)F 73157649 WIHHZGFYJRFSHB-UHFFFAOYSA-N 417.387 4.449 0 1 HIAF NCCCCC(=O)N[C@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 73219774 OTBZVPVWQSZMJV-HSZRJFAPSA-N 403.526 4.025 0 1 HIAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(C(F)(F)F)cc2)C1=S 95872970 LLRZKVWFLHLZFE-UHFFFAOYSA-N 400.422 4.498 0 1 HIAF O=S(=O)(Nc1ccc(-c2cnc3cn[nH]c3n2)cc1)c1cc(Cl)ccc1Cl 148847622 NFEGNNZUUDFMLA-UHFFFAOYSA-N 420.281 4.128 0 1 HIAF CO[C@]1([C@@H]2CSC(=O)N2C)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 169361238 ZBEGSVSIVKRYDW-FOYMXVGUSA-N 423.575 4.300 0 1 HIAF C[C@@H]1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2cccc(F)c2)CC1)OCO3 206545299 WVACORZTRDQIKU-MRXNPFEDSA-N 410.489 4.374 0 1 HIAF Cc1cc(-c2ccc(O[C@H](C)C(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 473111553 ABECVUABIRGFJZ-QGZVFWFLSA-N 411.465 4.315 0 1 HIAF COc1cc(Br)c([C@@H](N)c2nc3ccc(OC(C)C)cc3[nH]2)cc1OC 586974094 BGBRAXUFIXUKMB-GOSISDBHSA-N 420.307 4.178 0 1 HIAF NS(=O)(=O)c1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587049059 GWMQGZJJRGWBFO-UHFFFAOYSA-N 411.870 4.010 0 1 HIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)c(F)c1 587145795 QZMFADFSMBPJQQ-UHFFFAOYSA-N 412.471 4.410 0 1 HIAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(OC)nc3[nH]2)c1C 587165853 MNZYSUVRHZHKHY-UHFFFAOYSA-N 422.460 4.302 0 1 HIAF Cc1ccc(F)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335950 PLVHDSNJLGYFRC-WZONZLPQSA-N 407.372 4.185 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CCN(C(=O)OC(C)(C)C)C3)CC1)O2 587402114 YMEFKHYKVYOQCK-UHFFFAOYSA-N 400.519 4.482 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccc4c1CCN4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587441503 GCYGHBHTDCWYPH-HTAPYJJXSA-N 407.466 4.482 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547562 MGZIDOUHRPONQU-OFNKIYASSA-N 424.836 4.466 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597832 SAXCHBMPDZSKDV-HYBUGGRVSA-N 404.418 4.121 0 1 HIAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598747 VAYSEPHGGXELQD-LSRZYVKLSA-N 410.466 4.482 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncn2Cc2ccccc2)N1 587755733 QIYNAFTVYOMADZ-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c(O)nc2-c2ccccc2)N1 587792542 OSUZJBLCJLQNOW-QGHHPUGFSA-N 402.267 4.308 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ncon3)cc2)N1 587799469 ZMMJUENCOTTWSO-WYRIXSBYSA-N 418.266 4.174 0 1 HIAF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)O 587800990 IIPHAEKPCVAFRP-XTZNXHDOSA-N 408.267 4.309 0 1 HIAF Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)n3nc4cc3Oc3ccc(F)cc3-4)ccc12 587874010 SACIDMXCNVMESY-LBPRGKRZSA-N 406.369 4.317 0 1 HIAF NC[C@]1(c2ccccc2Cl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640547 QXHJNPLPQWJTJB-PXDATVDWSA-N 403.957 4.289 0 1 HIAF CC(C)(C)[C@@]1(c2ccc(N)cc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962659159 FUOILRYPBFJBFQ-JWQCQUIFSA-N 403.526 4.205 0 1 HIAF CON/C=C\[C@@]1(c2ccc(OC)cc2)c2ccsc2CCN1Cc1cccnc1 962993551 JLCCAOUKEWVAOQ-GQZPPLQUSA-N 407.539 4.118 0 1 HIAF Cc1cc(O[C@H](C)[C@@]2(C)NCCc3c(C(=O)O)cccc32)c2c(C)c(C)c(=O)oc2c1 963121131 JDNORXZWHACGNW-PUAOIOHZSA-N 421.493 4.245 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@H]1CN(C(=O)c2cccc(-c3ccco3)c2)CCO1 1772627365 KGCHFFSSYQTAAW-HXUWFJFHSA-N 410.857 4.080 0 1 HIAF O=C1C=C[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2C=CCCC[C@H](CCc2ccc3cccnc3c2)O1 1857626508 XHHDRUPDXADOLR-FYEJASGKSA-N 421.537 4.124 0 1 HIAF COC(=O)c1cc(=O)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2[nH]1 1857642154 SOEGUZXBWDTFJH-UHFFFAOYSA-N 406.225 4.266 0 1 HIAF Fc1cccc(F)c1CCn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1 1857649138 QLWVPEXFPCIDDA-UHFFFAOYSA-N 420.345 4.270 0 1 HIAF CC(=O)Nc1ccc(S[C@@H](CCN2CC[C@H](O)CCC2=O)c2ccccc2)cc1 36382990 UOEBUPCTMXTXPU-IRLDBZIGSA-N 412.555 4.242 0 3 HIAF CCCCN(C=O)c1c(CC)nc2c(OCc3ccccc3C(=O)OC)cccn12 61930953 RKBWJEPHCZRZMT-UHFFFAOYSA-N 409.486 4.025 0 3 HIAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccn3)CC2)cc1 13444627 LFKNMWWWQLOXKE-UHFFFAOYSA-N 423.557 4.072 0 1 HIAF Nc1ncc(Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(N)n1 13472735 KYJSISOHUNITEJ-UHFFFAOYSA-N 412.493 4.390 0 1 HIAF CC1(C)Oc2ccc(C(=O)c3ccccc3)cc2[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1O 27519353 DUZBLSGNHVRCAO-GMAHTHKFSA-N 419.452 4.060 0 1 HIAF O=C(NC[C@H]1CNc2ccccc2C(c2ccccc2F)=N1)c1cc2ccccc2[nH]1 27520926 HGKIQPBLDGUPTC-QGZVFWFLSA-N 412.468 4.369 0 1 HIAF CCN1CCC(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1 40976632 LKJQIVQCJBWGDC-UHFFFAOYSA-N 416.504 4.379 0 1 HIAF Cc1cccn2c([C@@H](C)Nc3ncnc4[nH]cnc34)c(-c3cc(F)cc(F)c3)nc12 95565939 CPTIBQXPYIQVLM-GFCCVEGCSA-N 405.412 4.427 0 1 HIAF Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3C)cc2)cc1 100101483 VRTMUDJPMPQXRG-LNWKWYTESA-N 418.562 4.099 0 1 HIAF C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5cc(Cl)ccc5[nH]4)cc3n21 117696881 XVXFGPGPMWYPAS-LLVKDONJSA-N 407.861 4.118 0 1 HIAF CCNC(=O)Nc1nc2cc(-c3cnc([C@H](C)O)nc3)cc(-c3ccccn3)c2s1 144657758 HFBFHSCEHRGIBX-LBPRGKRZSA-N 420.498 4.010 0 1 HIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc(OCC(F)F)cc1 166333661 IWXLLWPXBZDXRN-PBHICJAKSA-N 405.441 4.457 0 1 HIAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C1(O)CCCCC1)C=C/C=C/3CO 169297103 AHYOUXMXCQWDCX-UKUWLMKDSA-N 408.538 4.400 0 1 HIAF CCC1C[C@@H]2C(=O)[C@H](C1)[C@H](c1ccc(O)c(OC)c1)N[C@H]2c1ccc(O)c(OC)c1 195520825 DJQKXCZAWGHYAP-HHPBFDEVSA-N 411.498 4.122 0 1 HIAF COc1ccc([C@]2(COc3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC 200418029 QVPVVEXTVJPQSR-YADARESESA-N 404.466 4.074 0 1 HIAF CC(=O)Oc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)c(OC(C)=O)c1 299877070 GSJSDLGYROZESW-HYFFOGBASA-N 407.422 4.062 0 1 HIAF CCCCC1CCC(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC1 586884513 OJRPUSFLBZFLRR-UHFFFAOYSA-N 405.564 4.048 0 1 HIAF O=C(O)c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1F 587182298 DJRWJZSFLNKNDY-UHFFFAOYSA-N 416.577 4.325 0 1 HIAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587429588 QAOPRLSQXOGHPI-BIUIGEDTSA-N 423.509 4.337 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4cccs4)c(OC)c1)[C@@H](C2)C3=O 587452182 QXPMNFSEYBNXPF-OYHNWAKOSA-N 422.458 4.473 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ncc(Br)cc1N(C)C)CC2=O 587460627 VCIASQFOIVRTHG-KRWDZBQOSA-N 405.292 4.275 0 1 HIAF CCOC(=O)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549257 RKDDLFBQLPUAEM-AUSIDOKSSA-N 424.836 4.466 0 1 HIAF CCC[C@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570969 JZPMFWREIPLUSV-WZONZLPQSA-N 413.470 4.417 0 1 HIAF Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651276 GKDPRESTKHIXMJ-QMMMGPOBSA-N 419.190 4.128 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ncccn2)N1 587737640 ZFLABRCXZVAGLW-FKIZINRSSA-N 416.269 4.343 0 1 HIAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O 587807840 NXRYSJGGTUKYCX-APBUJDDRSA-N 408.267 4.146 0 1 HIAF COC(=O)c1cc2nc(-c3ccc(C(=O)c4cccc(OC)c4)cc3)[nH]c2cc1OC 587933108 VBHTUMXFZVEIPF-UHFFFAOYSA-N 416.433 4.265 0 1 HIAF Oc1cc(Cc2ccccc2)c(O)n1-c1cc(Br)cnc1Br 587941158 ROZKFPIGGPPINJ-UHFFFAOYSA-N 424.092 4.399 0 1 HIAF CCOc1cc(C=O)c(OCC)n1-c1nn(COc2ccccc2F)cc1Cl 587944749 FHZGLZIRFJGWKN-UHFFFAOYSA-N 407.829 4.113 0 1 HIAF CCOC(=O)[C@]1(c2c(C)cccc2Cl)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962563481 GLQBUIAPWBVTAU-WNSKOXEYSA-N 417.933 4.349 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2conc2Cc2ccccc2)N1 962704140 UMKIAVGFZJPCMF-RTBURBONSA-N 420.362 4.112 0 1 HIAF COc1cc(Cl)cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1O[C@H](C)C(=O)O 963108657 PILSMQVQSRVAIW-QROBEVECSA-N 419.880 4.450 0 1 HIAF CC[C@]1(Cc2ccco2)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963137937 HQZSQSISYKACLH-VWLOTQADSA-N 420.509 4.426 0 1 HIAF CN1c2ccc(F)cc2-c2ccnc3[nH]c(C4=CCNCC4)c(c23)[C@H]1c1cnn(C)c1 1772626292 FUWWBWFHMBBTKE-HSZRJFAPSA-N 414.488 4.018 0 1 HIAF CC(C)CCN1c2nc(Nc3cc(Cl)c(O)c(Cl)c3)ncc2N(C)C(=O)[C@@H]1C 1911570533 FFZJIFBTRFIHML-NSHDSACASA-N 424.332 4.450 0 1 HIAF Cc1[nH]nc2nc(O)cc([C@H]3CC[C@H](CC(=O)N4CC(Cc5ccccc5)C4)CC3)c12 1911586716 SXEUSRBRPAJJFS-KESTWPANSA-N 418.541 4.337 0 1 HIAF CC(C)C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356477577 AJBRSFMZZWORQQ-HBGUBZPUSA-N 418.618 4.119 0 1 HIAF CSc1ccc(CN2CC[C@]2(C)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 61902952 SOUZHEJCORHHFJ-RUZDIDTESA-N 423.626 4.154 0 3 HIAF COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 774000 XBODQLPXOFVHRW-RBUKOAKNSA-N 422.481 4.059 0 1 HIAF COc1ccc([C@]2(CC(C)C)CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC 3597214 VVDPTPKPSDGQJK-QHCPKHFHSA-N 417.571 4.391 0 1 HIAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4049414 GUJNNORKEPTGQD-ILBGXUMGSA-N 415.537 4.390 0 1 HIAF O=C(c1cccc(CN2CCN(c3nsc4ccccc34)CC2)c1)N1CCCCC1 12356374 NBQHGNXQTOFSDN-UHFFFAOYSA-N 420.582 4.245 0 1 HIAF CC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2[C@H](O)c2ccccc2Cl)C1 13442797 ZYJIBUSGJMVYSO-GOSISDBHSA-N 420.962 4.372 0 1 HIAF COc1ccc(-c2cc(=O)c3c(O)c4c(c(OC)c3o2)OC(C)(C)C=C4)cc1OC 13484734 DIOIPXZGSXBDJU-UHFFFAOYSA-N 410.422 4.376 0 1 HIAF biogenic,in-vitro Cc1cccc(COc2nn3c(-c4coc(C)n4)nnc3c3c2C2CCC3CC2)n1 13580824 MGVMCBAQXDZWTN-UHFFFAOYSA-N 402.458 4.125 0 1 HIAF Cc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12 14945417 LNKPBQMYLJEWNJ-UHFFFAOYSA-N 403.530 4.455 0 1 HIAF O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959193 UMZHRFFXXGXJSJ-FQEVSTJZSA-N 420.856 4.281 0 1 HIAF CCCc1c(O[C@@H](C)CCCOc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28395892 FDKGCYFABDMHAW-HNNXBMFYSA-N 424.501 4.354 0 1 HIAF CC(C)(C)c1nc2cc(S(=O)(=O)c3nccs3)ccc2n1CC1CCOCC1 29048147 MPSJVQFSPPXGIU-UHFFFAOYSA-N 419.572 4.050 0 1 HIAF CC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1F 34891863 LHGFALDPWSWDGB-QGZVFWFLSA-N 405.413 4.199 0 1 HIAF CO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]23C)[C@H](OC)O1 36444463 YCGYYZXBHVNOIX-VBKRYCECSA-N 424.578 4.444 0 1 HIAF biogenic,in-vitro CN(C)C(C)(C)[C@@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1 40763407 ZJCPXNRESMOODE-OAQYLSRUSA-N 409.530 4.456 0 1 HIAF NC(CO)(CO)CCc1ccc(-c2ccc(Sc3cccc(F)c3)cc2F)cc1 49067429 WVXAIIPSUJHFPG-UHFFFAOYSA-N 415.505 4.398 0 1 HIAF NC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 50934938 NJQYURUGBBQUIQ-UVTDQMKNSA-N 408.801 4.410 0 1 HIAF CC(C)c1nccn1C[C@@H](O)COc1ccc(F)cc1C(=O)CCc1ccccc1 73279399 VJUKUWQPMCOHSF-HXUWFJFHSA-N 410.489 4.401 0 1 HIAF COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2ccccc2OC)S3)c1 73297085 IPRACHQKJMLFJC-MRXNPFEDSA-N 419.304 4.073 0 1 HIAF Cc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)co1 82069111 OGELPVGKWQYODJ-OAQYLSRUSA-N 417.509 4.004 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 82219765 JDJLTCSJXHKDJD-ROUBRXKESA-N 424.585 4.323 0 1 HIAF Cc1ccc2c(c1)Sc1cc3ccccc3nc1N2CCCCNS(C)(=O)=O 96905910 IUCXKSDQHVPWOV-UHFFFAOYSA-N 413.568 4.475 0 1 HIAF COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2OC)cc1 100106170 VITZZSQACHCFNG-QXSURTEESA-N 400.522 4.311 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3[C@@H]4C[C@@H]4[C@@H](C2)N3C(=O)OC(C)C)c1C 103233174 FWAAPZFDGYIRMI-BSHDOZJQSA-N 424.501 4.056 0 1 HIAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCC(C)(O)CC1 117951461 OMNMBRLOSRERTR-UHFFFAOYSA-N 404.510 4.069 0 1 HIAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@@](=O)c3ccccc32)cc1 139347024 WRHPPQZOFSXDOM-PMERELPUSA-N 418.518 4.405 0 1 HIAF O=C(Nc1ccc(CCN2CCOCC2)cc1C1=CCCCC1)c1ncc(Cl)[nH]1 146932269 CBWJJBFIPXVPBN-UHFFFAOYSA-N 414.937 4.148 0 1 HIAF CC[C@@H](C)C(=O)O[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 202258247 PCZOHLXUXFIOCF-CHSQCZEFSA-N 404.547 4.196 0 1 HIAF CC(=O)N1CCc2nc(-n3c(C)cc4ccccc43)nc(NCc3ccccc3)c2C1 218994130 PUPNTPUZZJKMMS-UHFFFAOYSA-N 411.509 4.246 0 1 HIAF COC(=O)c1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c(F)c1Nc1ccccc1 586892009 QRESNCSIQQIGAH-FQEVSTJZSA-N 407.401 4.020 0 1 HIAF CS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 586926811 QMGCWWRYFIIHGW-UHFFFAOYSA-N 419.222 4.415 0 1 HIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 587040551 NXBGVCHYMAFDJI-NSHDSACASA-N 402.289 4.447 0 1 HIAF O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cnc2[nH]1)c1ccccc1 587217308 BXCZRMKWFCMHLH-QGZVFWFLSA-N 407.271 4.240 0 1 HIAF CN(C)CC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341520 XXMAOPQLOFYNQC-UKILVPOCSA-N 421.468 4.443 0 1 HIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CO 587354913 WCDCNNDJMDUICE-VWNXMTODSA-N 408.425 4.307 0 1 HIAF COC(=O)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547330 LTQXAIZYUADUND-XMSQKQJNSA-N 410.809 4.076 0 1 HIAF CC(C)(C)OC(=O)NC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573642 UBAMORPOLNDPEM-WZONZLPQSA-N 411.454 4.027 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)nc1 587594065 KTGXTUZDLFPWQN-URXFXBBRSA-N 402.450 4.480 0 1 HIAF CCn1ncc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587701358 CKYJJZIBLCMWMU-FVMDXXJSSA-N 420.248 4.453 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(F)CN(C(=O)OC(C)(C)C)C2)N1 587721635 PWHHZDCSYCVIHW-BMIGLBTASA-N 417.294 4.123 0 1 HIAF CC(=O)NCCc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587754234 JHQRCBNAKAQFCA-ASSNKEHSSA-N 419.338 4.065 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C2\C(=O)N(C)c3ccccc32)N1 587772828 XFSNTULQFWTFJZ-MROAWWQASA-N 415.306 4.398 0 1 HIAF COC(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587804744 SDHSQAHJUFKRKT-GIPWTMENSA-N 417.278 4.020 0 1 HIAF COc1ccccc1-c1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1 587930044 CBOCGLDZVZOYSF-UHFFFAOYSA-N 407.495 4.156 0 1 HIAF CC(C)N1C=C(C(=O)O)[C@@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2cc(F)ccc21 963093578 AKOSGELISKLCPR-HOYKHHGWSA-N 410.464 4.426 0 1 HIAF CC(C)=C/C=C\C(C)=C/CC/C(C)=C/CNCCCNCCCCNCCCN 1857596331 NMYCZCKCPCZGSP-TYTXVWQNSA-N 404.687 4.470 0 1 HIAF Cc1ccc2nc3n(c2c1)[C@H](CN(Cc1nccs1)Cc1nccs1)COC3 2356299884 PVDYYVZMTKCREJ-OAHLLOKOSA-N 411.556 4.031 0 1 HIAF COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC 763304 BLNHUDPLSOCHOF-HXUWFJFHSA-N 424.541 4.162 0 1 HIAF Cc1ccc(-c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3O)nc2-c2ccc(C)cc2)cc1 28900325 PPYVHWBOOKXYEF-IRLDBZIGSA-N 401.510 4.461 0 1 HIAF COc1cc2c(cc1OC)[C@H](c1ccccc1N)N(CCOc1ccccc1)CC2 40892126 FSNXVFYUQDMAOC-VWLOTQADSA-N 404.510 4.313 0 1 HIAF COc1ccc([C@H]2CC(Nc3nc4ccc(Cl)cc4s3)=NN2C(C)=O)cc1O 45260933 ICHBTYZWHHHKLM-CQSZACIVSA-N 416.890 4.383 0 1 HIAF COC(=O)c1ccc(CNC[C@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)cc1 95555954 VLIBCSTWKMRAPT-OHEPNIRZSA-N 423.509 4.105 0 1 HIAF COc1ccc(CNC[C@@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)cc1O 95557668 FCGJGYHKBXZYTJ-UVQUFPMPSA-N 411.498 4.033 0 1 HIAF COc1ccc(-c2nc3c(C(=O)NC4C[C@H]5CCC[C@H](C4)N5C)cccc3o2)cc1 101372609 VDBKJDOCZOVAPB-QZTJIDSGSA-N 405.498 4.249 0 1 HIAF COc1ccccc1N1CCN(C[C@@H]2CO[C@H](c3cccc4ccccc34)O2)CC1 103221569 ZPOXZVXRHXPTRT-NLFFAJNJSA-N 404.510 4.085 0 1 HIAF CC1=Nc2nnnn2[C@H](c2cccc(Br)c2)/C1=C(\O)OC1CCCCC1 104115538 DVYCZGALQBKVIV-IBOXJLQUSA-N 418.295 4.250 0 1 HIAF CCOC1CCC2(CC1)Cc1ccc(-c3cccc(OC)c3)cc1[C@@]21N=C(N)N(C)O1 141840397 QAEMRDPFYVFBTI-VZTJNBFISA-N 421.541 4.228 0 1 HIAF NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl 169351741 NFESGNOLEXZHKX-UHFFFAOYSA-N 404.662 4.011 0 1 HIAF O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2)[C@@H]1C(=O)c1cc2ccccc2o1 169688697 FTYVNZMAQAGQDZ-QZTJIDSGSA-N 402.431 4.045 0 1 HIAF CN(c1ncc2ccccc2n1)[C@@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1 203538944 MUNRPCOFBLTMAD-MRXNPFEDSA-N 420.900 4.316 0 1 HIAF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1cccc([N+](=O)[O-])c1)CC(C)(C)CC3 218324674 KZUGFMORYINOHI-SFHVURJKSA-N 422.485 4.091 0 1 HIAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587064746 PKAVJRNGQNPHEW-UHFFFAOYSA-N 413.886 4.110 0 1 HIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1OC 587077161 RTEPVSFHOYNLPR-UHFFFAOYSA-N 409.829 4.446 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2cc(F)cc(F)c2[nH]1)c1ccc(F)cc1 587170338 AEYZFOXIQWKZAZ-UHFFFAOYSA-N 403.385 4.448 0 1 HIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(O)c1 587240568 KPPILMHCLGSEJS-UHFFFAOYSA-N 419.412 4.262 0 1 HIAF Cc1nn(C)cc1[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327150 FGLUBSQBYVPSCS-WIYYLYMNSA-N 402.372 4.093 0 1 HIAF C[C@@]1(c2cc3c(cc2N)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330423 BMVDVTHVUWYJFW-UPVQGACJSA-N 421.424 4.159 0 1 HIAF CN(C)CC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341513 XXMAOPQLOFYNQC-ILBGXUMGSA-N 421.468 4.443 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cnc3nccnc13)CC2=O 587459368 OPRVLHAUZPIZSN-OAHLLOKOSA-N 414.259 4.152 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)CC(F)F)cc1)CC2=O 587468651 YVNSBMXDFSAHQO-OAQYLSRUSA-N 424.465 4.264 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](C1=C(c3ccccc3)N3CCN=C3S1)CC2=O 587499002 LCHBUMJKMQCABC-IBGZPJMESA-N 406.507 4.466 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594485 OFVRSKXTLNNQNQ-REWPJTCUSA-N 406.390 4.029 0 1 HIAF COCOc1ccc(OC)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594522 OKNUJNKBXAXZLQ-OFNKIYASSA-N 408.406 4.086 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCc2ccccc2)N1 587758594 YMHMHWZXWAXJJQ-RBZFPXEDSA-N 405.311 4.044 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(CCN)c3ccccc23)N1 587759419 SZFFULQNGOBNQH-YEJXKQKISA-N 416.338 4.299 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(O)ccc32)N1 587779650 VFQQOGPIPGRPDW-YBTHPKLGSA-N 405.311 4.439 0 1 HIAF COC(=O)/C=C/c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587809524 ROPWABKVYOFOSI-UIHBPHOOSA-N 404.279 4.398 0 1 HIAF Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C(=O)O)=CO2 587839167 QVSQHBCEOWYYHJ-PRWKNARSSA-N 418.262 4.035 0 1 HIAF Cc1cc(C)c2nc(O)c(CN(CCO)C(=O)Nc3ccccc3C3CC3)cc2c1 1911572166 UMARCMGAEFUNCC-UHFFFAOYSA-N 405.498 4.461 0 1 HIAF CC=CC=CC=CC(=O)O[C@@H]1C=C2CO[C@H](OC)[C@]2(O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356759092 IQZCRLBNSYMYLI-HASYHFQMSA-N 402.531 4.093 0 1 HIAF Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)nc1 581919 IARSIFGESCFKQY-UHFFFAOYSA-N 410.320 4.431 0 1 HIAF COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 2492532 HMHLBKPPMGOGNB-JOCHJYFZSA-N 422.525 4.369 0 1 HIAF Cc1ccc(C(C)C)c(OCC(=O)N2N=C3CC[C@@H](C)C[C@H]3[C@@]2(O)C(F)(F)F)c1 4172200 ADWUUUJQYFCWKJ-OWDMVUQNSA-N 412.452 4.383 0 1 HIAF CC[C@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@@H](C(C)(C)O)C2 13379082 NSWHDVGYGYSKPN-SUMWQHHRSA-N 422.477 4.469 0 1 HIAF biogenic Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3nccn3C)cc2)c1C 13437968 SMFAJSYEZREKBY-UHFFFAOYSA-N 408.483 4.160 0 1 HIAF NCCCCOc1ccc2c(c1)NC(=O)Cc1c-2[nH]c2ccc(Br)cc12 13532139 MAQBOTRSBYDGOL-UHFFFAOYSA-N 414.303 4.210 0 1 HIAF CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)Cc1cccc(OC)c1)CC2 13817502 QSVWQWOLHDIYPA-KRWDZBQOSA-N 408.542 4.021 0 1 HIAF CC(C)=CCc1cc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@H]2O)ccc1O 14727530 WFHBGCVPESHDKZ-ZEQRLZLVSA-N 424.493 4.498 0 1 HIAF biogenic CCCCCNC(=O)[C@@H]1CS[C@@H](c2ccoc2)N1C(=O)c1ccccc1Cl 35196091 HSAHFEDCEHNNCY-PXNSSMCTSA-N 406.935 4.496 0 1 HIAF COc1ccc(NC(=O)Cn2c(-c3ccccc3)c(-c3ccccc3)oc2=O)cc1 40980632 XJJSIHZKHKFTKJ-UHFFFAOYSA-N 400.434 4.423 0 1 HIAF O=C(Nc1cccc(F)c1)c1ccc(C(=O)N[C@@H]2CCN(CC3CCCCC3)C2)cc1 45194002 QDDDFBSVZUEWIH-HSZRJFAPSA-N 423.532 4.462 0 1 HIAF CCCCNC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccc(F)cc1 82139379 OPLHEMONOWCLFN-UHFFFAOYSA-N 422.504 4.476 0 1 HIAF COc1cc(C[C@H]2CCCC[C@@H]2O)c(Br)c(Br)c1OC 82154569 FQNQZQJJUNTVIK-KOLCDFICSA-N 408.130 4.322 0 1 HIAF Cc1cc([C@@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O 84652749 YZAWUNKUBAITJY-MRXNPFEDSA-N 402.560 4.084 0 1 HIAF O=C1/C(=C/c2ccc(Br)cc2)CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 84669443 YWVGRUDLUVFVDJ-ORBNHADYSA-N 415.375 4.328 0 1 HIAF CC(C)[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 95552928 LGGAKUPXXCXLLZ-ILGMOKPNSA-N 406.526 4.290 0 1 HIAF Oc1ccc2sc(CNc3nncc(-c4c(O)ccc5ccccc45)n3)nc2c1 95581734 OMYVIAHKCNOLKD-UHFFFAOYSA-N 401.451 4.325 0 1 HIAF CNC(=O)C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 95785463 NAXOBJLZBUHOSE-HTAPYJJXSA-N 409.507 4.070 0 1 HIAF CCn1cnc2c(Nc3cccc(C(F)(F)F)c3)nc(N[C@H]3CC[C@@H](N)CC3)nc21 100821316 ITNUIFJLBYTNFE-HDJSIYSDSA-N 419.455 4.290 0 1 HIAF S=C1NC2=C(CNC/C2=C\c2ccccc2Cl)[C@H](c2ccccc2Cl)N1 101679964 KKTZFVSYZRVTQF-CWIMXHLESA-N 402.350 4.453 0 1 HIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CC4(CCC4)Oc4ccc(F)cc43)cccc21 145710976 WEHVPUWXAOYTEK-GOSISDBHSA-N 407.445 4.246 0 1 HIAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Cc4ccc(F)cc4Cl)c3)c2c1 164787109 VOCFDLBENVEPGN-UHFFFAOYSA-N 422.847 4.303 0 1 HIAF Cn1cc(CN2CCOc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3C2=O)cn1 206198589 RYIWHFYBSKNGBK-UHFFFAOYSA-N 417.387 4.021 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@H]2CCCC[C@@H]21 586961405 RAIVQWBAAVFFHW-COXVUDFISA-N 416.934 4.306 0 1 HIAF Cc1c(Br)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1C 587006008 DYZUIOQGBJMSJR-UHFFFAOYSA-N 421.096 4.414 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(=O)O)cc3[nH]1)N2 587031128 LUKBIFVNYBJWTP-IXIHQHOXSA-N 414.512 4.388 0 1 HIAF O=C(NCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1cc2c(s1)CCC2 587034814 LYTLJMBSUAQBNH-UHFFFAOYSA-N 412.259 4.084 0 1 HIAF Nc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1CC(=O)O 587249789 NFCLBZXYSPISKW-UHFFFAOYSA-N 414.181 4.221 0 1 HIAF C[C@@]1(c2ccc(-n3cncn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344128 VXZCSHGEEFDUMF-UPVQGACJSA-N 415.424 4.386 0 1 HIAF C=CN1CCCC[C@@H]([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587443087 KTGDVWKFODYVDF-FHAGJXEFSA-N 403.478 4.110 0 1 HIAF COc1ccc(OCc2nc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cs2)cc1 587450322 JHQKBGNXXXWZSK-OPAMFIHVSA-N 409.463 4.228 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1sccc1Br)[C@@H](C2)C3=O 587450377 FRFKQOJSMFFEOU-UFPHDVEESA-N 420.328 4.237 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(Cc1cccc(F)c1)CC2=O 587465531 FLRODOKARCMCQJ-HSZRJFAPSA-N 400.446 4.384 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)NC1C3CC4CC(C3)CC1C4)CC2=O 587469673 JODWIRFBWDAPHY-VTVLZYBLSA-N 411.542 4.400 0 1 HIAF Cn1nccc1C(=O)Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517475 NZXVCSQXGXZQRN-QFIPXVFZSA-N 402.450 4.225 0 1 HIAF CC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2C1 587582705 NOYITSPABJUFKK-WIOPSUGQSA-N 415.445 4.002 0 1 HIAF CCn1cc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587688170 WZEXLOONGNVZNZ-RMLUDKJBSA-N 417.120 4.191 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)oc3ccc(F)cc3c2=O)N1 587732599 NFUOCBRUCVXJIP-CQLKUDPESA-N 421.241 4.040 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ncccn2)N1 587737642 ZFLABRCXZVAGLW-MPBGBICISA-N 416.269 4.343 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC(=O)N(C)C)N1 587743380 WMUNBOMPVGWVMS-BBATYDOGSA-N 407.283 4.272 0 1 HIAF CCCOc1ccccc1[C@@]1(CN)N[C@H](C)Cc2ccc(F)c(Br)c21 587750138 RRHMBAYTRQFNNZ-ZUOKHONESA-N 407.327 4.114 0 1 HIAF CC(C)N1CCc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)sc2C1 587858286 PUNXUALPNJINHR-ADLMAVQZSA-N 424.383 4.435 0 1 HIAF Cc1ccc([C@]2(CCc3ccccc3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963526854 OZWWRCGWBXLMJF-NVQXNPDNSA-N 401.506 4.484 0 1 HIAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)ncc12 1772593680 YBVBXGHZKMSWEI-MRVPVSSYSA-N 423.260 4.326 0 1 HIAF COC(=O)[C@]1(C)CCC[C@@]23CO[C@H]4c5occc5[C@H](C)[C@H]([C@@H](OC(C)=O)C[C@@H]12)[C@H]43 1772657362 MLWLYRXQKXMOIG-PQGYYFMWSA-N 402.487 4.002 0 1 HIAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1 1911578951 BPZPBJVMRGXWLM-KRWDZBQOSA-N 411.716 4.454 0 1 HIAF O=C(C=Cc1ccccc1)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 2356679880 LCPXFIYCSRAKAD-RPWUZVMVSA-N 402.402 4.039 0 1 HIAF C[C@@H]1O[C@]2(C=Cc3cccc(O)c3CO2)[C@H](C)O[C@]12C=Cc1cccc(O)c1CO2 2356718800 GWADQOOKXMSEMY-QBGYIRFESA-N 408.450 4.101 0 1 HIAF Cc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)o1 13596978 FBEWYDBSBWPFEG-FQEVSTJZSA-N 400.567 4.291 0 3 HIAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1ccccc1 1863287 DEFIUIMCPXKHQD-BBATYDOGSA-N 411.310 4.066 0 1 HIAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCn1ccnc1 13645702 SREBJVOZOOLUNK-WAYWQWQTSA-N 410.470 4.167 0 1 HIAF CCc1cc(Nc2cc(=O)n(CCCCCCCCCCO)c(=O)[nH]2)ccc1C 13674929 RRIGEJMJNAQMHD-UHFFFAOYSA-N 401.551 4.264 0 1 HIAF c1ccc(CNCCNCCCCCCCCNCCNCc2ccccc2)cc1 22933958 DBVMDICZQYQUMP-UHFFFAOYSA-N 410.650 4.086 0 1 HIAF Cc1oc(-c2ccccc2)nc1C(=O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 26577633 IBVBAEAQAFKYMI-WQRHYEAKSA-N 420.446 4.236 0 1 HIAF O=C(O)c1ccc(C(=O)O)c(-c2ccc3c(c2)OC[C@H](Cc2ccccc2)[C@H]3O)c1 29481204 IUZVDUBXCSPZHN-HTAPYJJXSA-N 404.418 4.035 0 1 HIAF COc1cccc(NC(=O)c2ccc(OC)c(C(=O)Nc3cccc(OC)c3)c2)c1 34295462 GRPHJFCAPWPDPS-UHFFFAOYSA-N 406.438 4.217 0 1 HIAF C[C@H]1CN(C(=O)c2ccc(-c3cccnc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 49034282 MHGREHPRCJCUIW-SFHVURJKSA-N 424.504 4.217 0 1 HIAF COc1cc(/C=C/C=C/C=C/C=C/c2c(Cl)ccn2S(C)(=O)=O)oc(=O)c1C 64526517 URGWZGQTNAWIKF-LOVBCJNSSA-N 421.902 4.058 0 1 HIAF Cc1nnc(NC(=O)N2CCC3(CC2)CC(c2cccc(OC(F)(F)F)c2)C3)o1 73163558 VCMCMVTYRLLTIB-UHFFFAOYSA-N 410.396 4.468 0 1 HIAF O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2cccc(C(F)(F)F)c2)cs1 82195439 OYBGEFSDYGGNQB-ZDUSSCGKSA-N 423.382 4.476 0 1 HIAF COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cc(C)nn3C)nc3ccccc32)cc1 84587914 UGOKGQWAQPCCOX-HNNXBMFYSA-N 421.526 4.195 0 1 HIAF COc1ccc(C2=NN(C(=O)c3ccc(C)nc3)[C@H](c3ccc(OC)cc3)C2)cc1 84714837 TUJUDPBTZRYQRL-QHCPKHFHSA-N 401.466 4.399 0 1 HIAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(-c3cccc(F)c3)c(=O)c12 88345888 VGOHZLCNLVUERR-AWEZNQCLSA-N 414.444 4.278 0 1 HIAF COc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 95590416 IGNGDXXVFAEFPS-UHFFFAOYSA-N 412.427 4.428 0 1 HIAF CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 95874468 WHIDLAPBXJGMLF-BGEHMKEDSA-N 404.554 4.018 0 1 HIAF COc1ccc(OC[C@@H]2c3cc4c(cc3CCN2C(=O)c2ccccc2)OCO4)cc1 96906953 GBKRSFKDSZQYOZ-JOCHJYFZSA-N 417.461 4.243 0 1 HIAF COC(=O)c1cc2c(OC[C@@H](N)Cc3c[nH]c4ccccc34)ccc(Cl)c2n1C 103224936 QXLQVOGIYDMAKL-AWEZNQCLSA-N 411.889 4.048 0 1 HIAF Fc1ccc(CCOc2cn3c(-c4ccc(OC(F)F)cc4)nnc3cn2)cc1F 103303355 PHGWNHSKOAAQGR-UHFFFAOYSA-N 418.350 4.292 0 1 HIAF CC1(C)c2cc(N3CCC(N4CCCC4)CC3)ccc2C(=O)c2c1[nH]c1ncccc21 114800150 YPOBQOGPBSLDQP-UHFFFAOYSA-N 414.553 4.498 0 1 HIAF c1cc2c3cnc(Nc4ccc(N[C@@H]5CCNC5)cn4)nc3n(C3CCCC3)c2cn1 169706631 SMNBJOCPOYEKDE-MRXNPFEDSA-N 414.517 4.007 0 1 HIAF NC1=N[C@](c2ccccc2)(c2cccc(-c3ccncc3)c2)C(=O)N1C1CCCCC1 218624383 PELJWIRYZWWWKO-AREMUKBSSA-N 410.521 4.482 0 1 HIAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)cc(C)c2[nH]1)C(C)C 586933713 WRAOWGSVGKUGFW-AWEZNQCLSA-N 402.358 4.050 0 1 HIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)c1C 586946735 FELYNYFYRMMSNZ-UHFFFAOYSA-N 413.890 4.091 0 1 HIAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cnncc4[nH]3)cs2)cc1 587014556 SUPDLQSBNXZUIE-UHFFFAOYSA-N 408.487 4.414 0 1 HIAF Clc1c(Br)cnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587041908 PINBJILZGZVQFJ-RYUDHWBXSA-N 409.740 4.320 0 1 HIAF CCCCOc1cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2cc1Br 587249419 LWYXGEHRGATZLY-UHFFFAOYSA-N 404.264 4.452 0 1 HIAF C[C@@]1(CC(=O)Nc2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329880 AVUHJGIVDZCFLB-GGAORHGYSA-N 406.413 4.073 0 1 HIAF COc1cc(C)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587353347 YSSLBAYHHXHLSA-GBXCKJPGSA-N 419.408 4.055 0 1 HIAF C[C@@]1(c2sc(N)nc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558075 VBRZSHYMHLPTOI-KZULUSFZSA-N 422.384 4.327 0 1 HIAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598749 VAYSEPHGGXELQD-UXSWERMXSA-N 410.466 4.482 0 1 HIAF O=C(c1ccncc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587621425 FDZJFTFOYBIOLU-UHFFFAOYSA-N 409.165 4.452 0 1 HIAF Nc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)[nH]c2ccccc12 587658391 ONNKVFQDCAMPDW-UHFFFAOYSA-N 416.387 4.094 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(CCC(F)(F)F)CC2)N1 587709060 HPVXNYJGMDUWEL-LLVKDONJSA-N 409.265 4.366 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)Nc3ccc(F)cc32)N1 587733809 OSLOUXHVVDFGPI-DGIBIBHMSA-N 407.258 4.237 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2cccnc2)N1 587763545 JXRXQCNFWOKPSG-NSPYISDASA-N 401.283 4.007 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCOCC3)c2)N1 587769421 AYOUQQUBONFLAF-RNODOKPDSA-N 405.311 4.048 0 1 HIAF Cc1ccc([C@]2(c3ncc[nH]3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587790112 HFSORIDEHFEUSB-RBZFPXEDSA-N 400.295 4.446 0 1 HIAF COC(=O)c1ccc(OC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587811344 ZDZCJFJLBMIBGY-MLCYQJTMSA-N 408.267 4.007 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNC(=O)c1ccccc1 587858313 DPMJXCRHDOXIBX-UHFFFAOYSA-N 418.280 4.326 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(C)cc1Br 587866628 HONHFXJYCIMBHO-UHFFFAOYSA-N 413.197 4.428 0 1 HIAF O=C(Nc1cc(CN2CCCCC2)ccn1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 653739297 XBIUKPXUYROLSP-FQEVSTJZSA-N 419.529 4.392 0 1 HIAF COc1c([C@@H]2c3ccsc3CCN2Cc2cccnc2)ccnc1Br 963014410 SPJQAWNPEXCJCD-KRWDZBQOSA-N 416.344 4.457 0 1 HIAF COC1([C@@]2(c3cccc(C(F)(F)F)c3)NCCc3c(C(=O)O)cccc32)CCC1 963125013 RPDBXXZMPXJEGN-NRFANRHFSA-N 405.416 4.362 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2cccc(F)c2F)C(=O)OC)cc1 1772636254 IMODPFWOYAJROC-OYHNWAKOSA-N 419.468 4.353 0 1 HIAF Cc1nnc2n1-c1ccc(-c3ccc(=N)[nH]c3)cc1[C@@H](Nc1ccc(F)cc1)CC2 1857553789 QARYGONRFYUTRS-FQEVSTJZSA-N 400.461 4.289 0 1 HIAF COc1cc(-c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1ccc(F)cc1 1857615414 CXPYJKAOTCNKRJ-UHFFFAOYSA-N 419.412 4.168 0 1 HIAF C[C@@]12C=C[C@@]3(C1)[C@H](O)C[C@H]1[C@](C)(CCC[C@@]1(C)COC(=O)CCC(=O)O)[C@H]3CC2 2356576244 SGSLKSWEAHEFTA-DQUFEFGYSA-N 404.547 4.334 0 1 HIAF CCCCC[C@](C)(O)C=C[C@H]1[C@H](CC=CCCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O 2356746562 DMLOOJUPVUOLJU-CHSSDKTLSA-N 410.595 4.300 0 1 HIAF COc1cccc(CN2C(=O)COCc3ccc(-c4ccc5c(c4)OCO5)cc32)c1 205210180 NBPQQBWGLRRIQW-UHFFFAOYSA-N 403.434 4.154 0 3 HIAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 786148 JDJLTCSJXHKDJD-PVPSJYBTSA-N 424.585 4.323 0 1 HIAF Cc1c(C)c(-n2cccc2)c(C)c(C)c1NCc1cnc2nc(N)nc(N)c2c1C 3814971 ODRLNFBWPJLHHF-UHFFFAOYSA-N 401.518 4.134 0 1 HIAF C[C@H](N)C(=O)N1CCCC[C@H]1P(=O)(Oc1ccc(F)cc1)Oc1ccc(F)cc1 3823298 ZBVWLXGRHBKEGG-IFXJQAMLSA-N 424.384 4.302 0 1 HIAF CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)[C@H](O)C(C)(C)C 3939645 PGZQBZCWIHOLGU-WMZOPIPTSA-N 411.554 4.012 0 1 HIAF CN(CCCF)c1ccc(-c2cn3cc(I)ccc3n2)cc1 13560559 DHSNMHSCQWZKAA-UHFFFAOYSA-N 409.246 4.402 0 1 HIAF Cc1ccc(-c2nn(CCN3CCN(c4ccccc4)CC3)c(=O)c3ccccc23)cc1 34801006 XVTBCBDVEQKIKN-UHFFFAOYSA-N 424.548 4.194 0 1 HIAF CC1(C)Cc2c(CN3CCC4(CC3)CCN(C(=O)c3ccncc3)CC4)cccc2O1 34984814 IRHNBISUJFEBRF-UHFFFAOYSA-N 419.569 4.314 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)OCCOCCN(C)C)co2)cc1 82076614 VUZYSSJQQCDNBL-UHFFFAOYSA-N 404.507 4.036 0 1 HIAF CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O 95558315 UXQVMDVKHFQOEU-LJQANCHMSA-N 410.949 4.300 0 1 HIAF Cc1nc2ccc(CN3CCC[C@H](CO)C3)cc2n2c(-c3ccccc3Cl)nnc12 95595315 XYHOTKZGFKCGHN-KRWDZBQOSA-N 421.932 4.111 0 1 HIAF OC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 95873231 IBZUTKZKACVZJU-FKBYEOEOSA-N 408.508 4.431 0 1 HIAF C/C=C\c1cc(OC)c(O[C@H](C)[C@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 111448684 FLBWVIKFCMUTDS-LEGUDHKZSA-N 418.486 4.264 0 1 HIAF N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2cccc(-c3cc(O)ccc3F)n2)C1 140245430 UXBVHGGTBYDTJN-CABCVRRESA-N 406.461 4.226 0 1 HIAF O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)Nc1nc2ccccc2[nH]1 473096865 CBSLLDQOZUCAEW-UHFFFAOYSA-N 411.937 4.147 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2c1 587033195 GYFATFBQTQTYMU-CYBMUJFWSA-N 403.573 4.447 0 1 HIAF Clc1ccc(-c2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc2)nn1 587086636 BOPOWASQPVPDHM-UHFFFAOYSA-N 405.889 4.173 0 1 HIAF CC(C)(C)OC(=O)NC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332284 CZQNCCKBIQHVFH-GCJKJVERSA-N 401.434 4.174 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccc(Br)c1)O2 587372883 RRQVVSMPAYHRCH-LJQANCHMSA-N 403.276 4.092 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(Cc3ccc(Cl)cc3Cl)nn1)O2 587375361 LMRALSOKPHYOKT-FQEVSTJZSA-N 417.296 4.404 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CC3(CCN(C(=O)OC(C)(C)C)CC3)C1)O2 587398862 ITXPSYJVZQFJMO-LJQANCHMSA-N 400.519 4.338 0 1 HIAF COC(=O)c1cccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509703 FBPRSXDPZHCWOC-DEOSSOPVSA-N 407.466 4.105 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546121 IJVHXWGNARCUGZ-VGSWGCGISA-N 407.809 4.163 0 1 HIAF COc1cccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587569182 FSSFHDJKEAOEAX-NRXDJYBQSA-N 417.461 4.333 0 1 HIAF COC(=O)C[C@]1([C@@H](C)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597301 XZZVMYZYPSHJKW-AGSBLFPASA-N 418.445 4.459 0 1 HIAF C[C@@]1(c2ccc(OCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598367 UECPPHUYZMACOR-URXFXBBRSA-N 420.417 4.123 0 1 HIAF CC(=O)CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1 587630710 AYNVHBOIATWUCY-UHFFFAOYSA-N 401.825 4.439 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CCC(=O)O)c2c1 587649079 PEJIOESFCQPXIA-UHFFFAOYSA-N 422.300 4.018 0 1 HIAF Cc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649613 RHGMALARCWFKSD-UHFFFAOYSA-N 419.717 4.428 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587734835 WGNYSOIDCBREKB-FKIZINRSSA-N 424.285 4.458 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc(-c2ccccc2)no1 587862376 LVNLROOADWDEHM-UHFFFAOYSA-N 414.343 4.316 0 1 HIAF COc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867483 FWZJOOAYHVLZKX-GFCCVEGCSA-N 421.375 4.089 0 1 HIAF COc1ccc(COC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867765 AAAXMBDBTGMMBK-UHFFFAOYSA-N 407.348 4.166 0 1 HIAF CCOC(=O)[C@@H]1CCc2sc3ncnc(SCC(=O)c4cccs4)c3c21 958026600 WTESYGIAWGJSDR-SNVBAGLBSA-N 404.538 4.321 0 1 HIAF CC(C)(O)c1ccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cn1 962963200 XNPMQVUISLFRCB-IBGZPJMESA-N 406.448 4.069 0 1 HIAF CC[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963021480 GGEJKBVKZWBMSE-CPJLOUKISA-N 406.526 4.345 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)C(=O)CC(C)C 963914651 IWMVHALMNGMUPR-HXOBKFHXSA-N 403.519 4.462 0 1 HIAF CN1CCc2cn(C)nc2[C@@]1(Cc1ccc(F)cc1)c1ccccc1Br 963954090 GPRZKFYTUVUAIQ-OAQYLSRUSA-N 414.322 4.296 0 1 HIAF Cc1cc(Nc2ccc(F)cc2)nc(N2CCC(NC(=O)c3ccccc3F)CC2)n1 1857638027 BKXQAWNRHAIZSC-UHFFFAOYSA-N 423.467 4.206 0 1 HIAF O=C(O)C[C@H]1CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356306001 YDAHVOXFWZGNGK-CVEARBPZSA-N 411.889 4.012 0 1 HIAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)[C@H](O)C[C@@H]5[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 2356331394 IQLFOYKUCJTPMF-SLTJEMIPSA-N 418.618 4.375 0 1 HIAF COc1c([C@@H](CC(C)C)OC(C)=O)ccc(O)c1C(=O)c1c(O)cc(C)cc1C=O 2356873119 YFAAXYFTAMLVMS-LJQANCHMSA-N 414.454 4.109 0 1 HIAF Cc1ccnc(NC(=S)N2C[C@@H]3CN(c4cccc(C(F)(F)F)c4)C[C@H]3C2)c1 95570139 KRIXABFYBRTIIS-GJZGRUSLSA-N 406.477 4.174 0 3 HIAF CNC(=S)NNc1ncnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(C)cc1 1642613 DJIKSNHKQYWDTR-UHFFFAOYSA-N 422.945 4.470 0 1 HIAF COc1cc(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1 3814608 VGXVISZXWFXQTI-UHFFFAOYSA-N 414.380 4.109 0 1 HIAF Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Br)c2)cc1 15274732 PFBXBOUKFJZEQV-UHFFFAOYSA-N 417.332 4.377 0 1 HIAF O=c1[nH]c2cccc(N3CCN(Cc4cc(-c5ccccc5)ccc4F)CC3)c2o1 26398493 YTLARIHDMMQLCL-UHFFFAOYSA-N 403.457 4.249 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H]3CCCCC3=O)CN(C)[C@@H]1C2 27518811 HFQSQNJGOYLPPV-GUBFDYSESA-N 408.542 4.237 0 1 HIAF COC(=O)c1nc(-c2csc([C@@H](NC(=O)CC3=CCCC3)C(C)C)n2)oc1C 28530101 KAYOUPPZYNZDRC-INIZCTEOSA-N 403.504 4.207 0 1 HIAF COc1ccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc2c1 35827156 JHXXTCCXWRAEMQ-UHFFFAOYSA-N 419.525 4.005 0 1 HIAF O=C(CCc1ccccc1)NCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 40407602 ZBWMUFAKPSHRGZ-XMMPIXPASA-N 406.913 4.295 0 1 HIAF CC(C)N(CC[C@@](CCCN1CCCCC1)(C(N)=O)c1ccccc1F)C(C)C 40465110 ICDDLOQOGBZMAC-XMMPIXPASA-N 405.602 4.324 0 1 HIAF CN(c1nc2ccc(F)cc2o1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 72317227 MEZFIHMQXSCMSN-AWEZNQCLSA-N 411.408 4.139 0 1 HIAF c1ccc(CCc2nc3c(NCc4ccccc4)ncnc3n2C[C@@H]2CCCO2)cc1 82178576 ZIBCHVTXJHEPER-NRFANRHFSA-N 413.525 4.403 0 1 HIAF CC(C)(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1C[C@@H]1CCCO1 82197024 MHRGVEPYXZCSCO-SFHVURJKSA-N 411.525 4.388 0 1 HIAF O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1cc(-c2ccc(F)cc2Cl)no1 84618565 LQMJDFXYANXGEK-VLIAUNLRSA-N 408.807 4.377 0 1 HIAF Cc1ccc(C(=O)N[C@@H](Cc2ccc(OCCc3ccccc3)cc2)C(=O)O)cc1 95560430 OOUSNVIOISIYAN-QHCPKHFHSA-N 403.478 4.042 0 1 HIAF Cc1cc(C)nc(OCCCn2c3c(c4cc(C5=NCCO5)ccc42)CCCC3)n1 95579861 AWOIMEWPFPEKTG-UHFFFAOYSA-N 404.514 4.173 0 1 HIAF COc1cccc2c(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)c(C)n(CCN(C)C)c12 95607041 GOTMKWHLCZVWNF-LAMXGVLKSA-N 411.590 4.465 0 1 HIAF O=C(Cc1cccc(Cl)c1)OCCOC1=C(c2ccc(Cl)cc2)C(=O)OC1 96914299 RSNJSOHBCXXTSF-UHFFFAOYSA-N 407.249 4.064 0 1 HIAF Cc1cc([C@H]2[C@H](c3ccc(I)cc3)C[C@H]3CC[C@H]2N3C)on1 169332965 BWXFANYCYSQZCJ-HPFXQQBRSA-N 408.283 4.322 0 1 HIAF CC[C@H]1C[C@@]2(C[C@@H](CC)N1)C(=O)N(CCc1ccccc1)C(=O)N2c1ccccc1 253666859 QXIBZXMYFNEWGV-ZZYHAFTGSA-N 405.542 4.377 0 1 HIAF FC(F)(F)c1ccc(Nc2nc3ccc(N4CCN5CCC[C@@H]5C4)cc3[nH]2)nc1 299834525 YOUSNZCJJJTYTP-OAHLLOKOSA-N 402.424 4.005 0 1 HIAF CSCC[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)O 473121837 HGXLXQVWGBALSS-AWEZNQCLSA-N 402.541 4.002 0 1 HIAF Cc1nn(Cc2nc3cc(Br)cc(F)c3[nH]2)c(C)c1Br 586979050 PGNAORNGFMXMOQ-UHFFFAOYSA-N 402.065 4.089 0 1 HIAF Fc1cnc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc12 587005485 XIGWZBSPRSVHLJ-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF COC(=O)c1cccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 587017477 LKBUYLSKVMPBOU-UHFFFAOYSA-N 401.451 4.765 0 1 HIAF O=C(O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587027489 RDPULDDBRVZLCP-KYNGSXCRSA-N 409.511 4.398 0 1 HIAF C[C@@]1(c2nc3c(Cl)c(Br)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171828 BPPWQDBCSNKZRQ-INIZCTEOSA-N 410.630 4.141 0 1 HIAF Fc1ccc(I)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587182086 DTBLHGICWCSVMW-UHFFFAOYSA-N 410.186 4.135 0 1 HIAF Cc1cc(Br)c2[nH]c(-c3cncc(I)c3)nc2c1 587185446 UNPKHPLMDPSRJU-UHFFFAOYSA-N 414.044 4.300 0 1 HIAF Cc1cccnc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329965 BAAJTHNTAMKUGZ-ZJSXRUAMSA-N 420.440 4.381 0 1 HIAF C[C@]1(c2cccc(NC(=N)N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340058 UYIXLJYNYCSIBX-NFBKMPQASA-N 405.429 4.111 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(=O)n(Cc3c(F)cccc3Cl)c1)O2 587383137 XYSCDJZJILACAT-HXUWFJFHSA-N 412.848 4.286 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ncc(Br)nc13)CC2=O 587461131 XGMQUMXZNGIOSP-CQSZACIVSA-N 402.248 4.085 0 1 HIAF O=NCC1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587569206 FVVHHYWFHTYPBX-REWPJTCUSA-N 401.374 4.292 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(CN2CCOCC2)CCCCC1 587591506 FQAYTPZJRIIQLW-XUZZJYLKSA-N 423.509 4.005 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587707853 XHALUHGUDQIKGM-BFCNOCSMSA-N 420.269 4.316 0 1 HIAF CCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)ccc21 587769265 AEEOKJZVVRSZKU-FKIZINRSSA-N 403.295 4.041 0 1 HIAF CCOC(=O)[C@]12CCCC1=C[C@@]1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800833 ZTRUUZCJDKAGGH-OUWQEXSBSA-N 408.311 4.381 0 1 HIAF COC(=O)C1C[C@@H]2CCC[C@H](C1)C21N[C@H](C)Cc2cc(Br)c(F)cc21 587805559 HNHSAFVHFGKNCJ-BZDZRWCVSA-N 410.327 4.317 0 1 HIAF COC(=O)c1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587806109 UQNWLHNWKVQANF-OVWNDWIMSA-N 417.278 4.480 0 1 HIAF COc1ccc2c(c1OC)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587811630 WYGAMQOOHCMMQE-BIBXISHDSA-N 406.295 4.329 0 1 HIAF COC(=O)[C@@]1(C)CC[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(=O)CCC(=O)O)CC[C@]23C)[C@@H]1C 653914347 DVPOBVZOHAGQGR-SPOFZMPASA-N 408.535 4.205 0 1 HIAF Cc1cc(C)c2c(N)c(C(=O)N3NC(c4ccco4)=C[C@@H]3c3ccco3)sc2n1 958590191 DVMIWVTWKZHGOU-CQSZACIVSA-N 406.467 4.424 0 1 HIAF CCOC(=O)C1CCN(c2ncccc2[C@H]2c3c(F)cccc3C[C@H]3CCCN23)CC1 963088336 DXLMBMPGHAYVPV-XXBNENTESA-N 423.532 4.110 0 1 HIAF Cc1ccc(OCc2ccccc2)c([C@@H](C)NC(=O)NS(=O)(=O)c2ccccc2)c1 1857631653 SJJCNZUTGSXJNB-GOSISDBHSA-N 424.522 4.323 0 1 HIAF C[C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 1857636887 ZNZKFGNGMCSJIF-DLBZAZTESA-N 416.587 4.412 0 1 HIAF C/C(=C\CC[P@@](=O)(NCC(=O)OC(C)C)Oc1cccc2ccccc12)CO 1857766936 YQRGJTOBHNIMLK-FYVKRASNSA-N 405.431 4.282 0 1 HIAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc(OC)c(CC=C(C)C)c3O[C@@H]1CO2 3978529 QADCCYSYLNTZHV-YADHBBJMSA-N 410.466 4.341 0 3 HIAF biogenic,in-vitro O=C(CN(Cc1ccccc1)C(=O)c1cc2c(s1)CCC2)NCc1cccs1 4966891 WRRUBTKAPANKGA-UHFFFAOYSA-N 410.564 4.257 0 3 HIAF COc1ccc(-c2cnn(C(C)(C)C(=O)Nc3ccc(N(C)C)cc3)c2)cc1OC 205226615 OMBGGNGQZOHCRA-UHFFFAOYSA-N 408.502 4.007 0 3 HIAF Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2N)cc1 592834 RMYHYDABGVQXCU-UHFFFAOYSA-N 404.495 4.231 0 1 HIAF O=S(=O)(c1ccccc1)C(c1ccc2ccccc2n1)S(=O)(=O)c1ccccc1 6007106 BMDIXOOKVXZORU-UHFFFAOYSA-N 423.515 4.181 0 1 HIAF O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(Cc2ccccc2)CC1 8289633 QZDGTFNTXVLBQQ-UHFFFAOYSA-N 408.586 4.190 0 1 HIAF COc1c2c(c(OC)c3occc13)O[C@H](c1ccc3c(c1)OCO3)[C@H](OC)[C@@H]2OC 14859167 IRTVRUQCSNGIAC-BSIFCXSSSA-N 414.410 4.015 0 1 HIAF biogenic CC(=O)Nc1ccc(OC(=O)c2cccnc2Nc2ccnc(C(F)(F)F)c2)cc1 45366776 AIEJSVFKEAMEDX-UHFFFAOYSA-N 416.359 4.417 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1C 71340534 QOLHUCVLXVPCQL-JZXOWHBKSA-N 412.490 4.057 0 1 HIAF CCCCNC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccccc1F 82217022 IFYADCMWBNPWDD-UHFFFAOYSA-N 422.504 4.476 0 1 HIAF Clc1cc(-c2nc(CSc3nnc(-c4ccncc4)n3C3CC3)no2)ccn1 84689173 FMQXAKIGOZZDAL-UHFFFAOYSA-N 411.878 4.066 0 1 HIAF FC(F)(F)c1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 96169013 OOMPQNKJPRWPOF-UHFFFAOYSA-N 407.436 4.437 0 1 HIAF CN(C)CCCN[C@H]1N=C2C(c3ccc(C(F)(F)F)cc3)=CNN2c2ccccc21 103150371 RCCYIQGHRGKMGQ-FQEVSTJZSA-N 415.463 4.023 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@H]5[C@@]4(C)[C@@H]3CC[C@@]12C 169322156 WNENMRZSIGSSCW-NODJSDKISA-N 400.607 4.190 0 1 HIAF CCCC[C@H]1CNC2=[N+]1C[C@@H](Cc1ccc(OC)cc1)N2CC[C@@H]1C[C@@H]2CC[C@@H]1C2 169721138 KWTDWBFTETWUMK-ZSXJVMONSA-O 410.626 4.279 0 1 HIAF CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C(F)(F)F 222493803 VLWWSFAMFACJRL-UHFFFAOYSA-N 403.408 4.140 0 1 HIAF COc1ccc(Sc2ccc(Cl)cc2N2C[C@H](C)N(CC(=O)O)C[C@H]2C)cc1 261122560 JSVXVCHEVWOFFP-LSDHHAIUSA-N 420.962 4.483 0 1 HIAF CC(=O)N[C@H]1CC[C@H](NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)CC1 261122784 JUUQZUVNZARKLE-WKILWMFISA-N 402.564 4.089 0 1 HIAF Cc1c(C2CN(C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)C2)oc2ccc(Cl)cc12 299833830 XBFZWNNKAQIXBO-FARCUNLSSA-N 421.884 4.314 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](C)CN(C)C 299887584 ZDDUUZIKQUZSEB-ZPMCFJSWSA-N 403.567 4.166 0 1 HIAF COc1cc(N)c(I)cc1-c1nc2cc(Cl)c(F)cc2[nH]1 587178852 NEFHMNXDYDWXIX-UHFFFAOYSA-N 417.609 4.218 0 1 HIAF Cc1c(Br)ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 587235793 UKYTVCNYXVYSNE-UHFFFAOYSA-N 422.323 4.497 0 1 HIAF COc1ccccc1Nc1ccccc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587241327 YYVWAYSJTDXXPT-UHFFFAOYSA-N 422.510 4.232 0 1 HIAF Cc1cccc2c1N(C)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340966 UXMAOVKJHRCHOG-RDPSFJRHSA-N 403.409 4.071 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]nc(Nc4ccccc4)c31)CC2=O 587486580 RTBRLZPAHAUPIS-DEOSSOPVSA-N 403.482 5.008 0 1 HIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCC(=O)O 587499361 SKJQWXZVJTYAQP-GOSISDBHSA-N 416.857 4.397 0 1 HIAF C[C@@]1(CC(=O)Nc2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553217 UKUTWCBIXWNJJU-KNQAVFIVSA-N 424.840 4.190 0 1 HIAF COC(=O)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587698834 JVNBGVUACPXUNX-MGNBDDOMSA-N 412.686 4.192 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)Nc3ccc(F)cc32)N1 587733819 OSLOUXHVVDFGPI-OVWNDWIMSA-N 407.258 4.237 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2ccnc2)(c2ccccc2)N1 587758790 YGAMOFRDHHBYDR-VLIAUNLRSA-N 400.295 4.263 0 1 HIAF COC(=O)c1ccc(OC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587805491 GDWOSXDDGGWGSG-XTZNXHDOSA-N 408.267 4.007 0 1 HIAF COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1O 587811397 ZWZAOILXWYIVEF-GIGQVBGESA-N 410.283 4.109 0 1 HIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587932698 YLWLMZGUUCCXNY-WAIKUNEKSA-N 401.470 4.076 0 1 HIAF CC(C)(C)OC(=O)[C@@]1(C2=COCCC2)NC2(CC2)Cc2ccc(Br)cc21 961617668 VHUIHARPDCOVFY-NRFANRHFSA-N 420.347 4.359 0 1 HIAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(-c2cccs2)nn1 1857744704 DPFACMDCJRENTM-UHFFFAOYSA-N 411.434 4.101 0 1 HIAF COc1cc2nc(=S)n(C3CCN(Cc4ccccc4)CC3)c(O)c2cc1OC 253497287 LYADUZNGFOCMGY-UHFFFAOYSA-N 411.527 4.326 0 3 HIAF CCOc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCCCCC1 645256 QKZPYIFJHXRMGX-UHFFFAOYSA-N 422.591 4.103 0 1 HIAF O=C(O)C[C@@](O)(CSCCCCCCc1ccccc1-c1ccccc1)C(=O)O 13758295 AABRCJOCZXVLOE-HSZRJFAPSA-N 416.539 4.480 0 1 HIAF COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(C=O)c1 25975086 KTZAZFWCITWBBQ-UHFFFAOYSA-N 422.518 4.216 0 1 HIAF COc1ccc(CN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CCCC[C@@H]3C2=O)cc1 26502880 KBHCNHZXGQOFAJ-PMACEKPBSA-N 408.498 4.265 0 1 HIAF COP(=O)(OC)C(O)(c1ccc(-c2ccccc2)cc1)P(=O)(OC)OC 29221066 ZXKPDXCRRNQQFD-UHFFFAOYSA-N 400.304 4.428 0 1 HIAF CC(C)=CCc1c(O)c2c(c3c1O[C@@H](C(C)(C)O)C3)O[C@@H](c1ccc(O)cc1)CC2=O 34165794 UICPJXWESAHQFX-WOJBJXKFSA-N 424.493 4.387 0 1 HIAF biogenic Cc1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2C[C@@H]2CCCO2)o1 82185745 LKKUVVYDTASLQO-KRWDZBQOSA-N 407.449 4.325 0 1 HIAF CCCCCNc1ncnc2c1nc(CCC)n2CCCCOC(=O)C(F)(F)F 82186880 OBIAQKAWFBPANN-UHFFFAOYSA-N 415.460 4.267 0 1 HIAF CN(CCO)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cn1 96270024 SEKZYHGDPAVGFB-UHFFFAOYSA-N 413.562 4.123 0 1 HIAF C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)Cc2ccccc2C(N)=N1 96929105 HYYQMCVDWIIXHE-QFIPXVFZSA-N 408.864 4.303 0 1 HIAF O=C(OCCF)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(Br)cc1)N2CCCF 101012902 XXLBWUCJODELRH-XLAORIBOSA-N 416.306 4.258 0 1 HIAF CCN(Cc1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1 169700753 GLNHAAZDYFNFMG-UHFFFAOYSA-N 424.512 4.029 0 1 HIAF CC(C)(C)[C@H]1Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1 199132961 ZFCKCMYWAFSXOW-CQSZACIVSA-N 418.540 4.061 0 1 HIAF CN(c1nc2ccc(F)cc2s1)[C@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 203540740 DJFJFDYHLZKLLM-AWEZNQCLSA-N 409.486 4.468 0 1 HIAF C[C@H]1c2ncn(-c3ccccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1F 218412508 GBQXOGRJGKMVTD-LBPRGKRZSA-N 404.367 4.185 0 1 HIAF COc1ccccc1N(C(=O)[C@H](C)OC)[C@H]1CCN(CCc2ccccc2)C[C@H]1C 261089443 DGHGOWMPBMIXER-URVUXULASA-N 410.558 4.016 0 1 HIAF COc1cc(OCc2ccccc2)c(Br)cc1/C=C1\SC(=O)NC1=O 299838484 MROYAVPBMLCMPA-PXNMLYILSA-N 420.284 4.361 0 1 HIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(CC)cc1 299881571 OEYOURCNXBLVDM-NKHOYCFXSA-N 411.498 4.265 0 1 HIAF c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5o4)cc3)CC2)nc1 473154344 GKGJGKJYBXXPBA-UHFFFAOYSA-N 414.509 4.481 0 1 HIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587092656 ACHVPFZNQXLRLN-RXMQYKEDSA-N 418.135 4.474 0 1 HIAF C[C@@]1(c2nc3c(Cl)c(Br)cnc3[nH]2)C=C(c2ccccc2F)NO1 587158571 XRQSHGODYWTCAR-INIZCTEOSA-N 409.646 4.304 0 1 HIAF O=C(c1cscc1Br)c1c(CO)oc2cc(Br)cnc12 587276466 QIPOAIIQSZXNNS-UHFFFAOYSA-N 417.078 4.138 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)cc(F)c32)[C@@H]1c1ccc(F)cc1 587329001 BQKKXSOVVBKGQJ-XMSQKQJNSA-N 411.335 4.016 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(c3ccccn3)CC2)[C@H]1c1ccc(F)cc1 587349368 YPASRCFVTYQSHW-QFIPXVFZSA-N 404.441 4.324 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(I)c(F)c1F)O2 587385802 GFPKTZKKGJEDMV-CYBMUJFWSA-N 415.177 4.167 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnn(-c3ccccc3)c1)(c1ccccc1O)O2 587392956 YFQPLHFAAMGGSZ-VWLOTQADSA-N 411.461 4.378 0 1 HIAF C=CN1CCCC[C@H]([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587443082 KTGDVWKFODYVDF-DFIYOIEZSA-N 403.478 4.110 0 1 HIAF Nc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br 587540719 QTFLVSSIJQIROD-FXAWDEMLSA-N 412.239 4.440 0 1 HIAF Nc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540811 REFHKTKCULQPKX-PXNSSMCTSA-N 412.239 4.440 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)c(F)c1 587554622 LPMFLYIQKWAYHN-NFBKMPQASA-N 402.381 4.420 0 1 HIAF CCn1ncc([C@@]2(C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587555435 LHCKDKUGJCDDJQ-LAUBAEHRSA-N 400.381 4.039 0 1 HIAF O=C(NCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCc1ccccc1 587573101 RPOFUPCZSJWLHN-CTNGQTDRSA-N 419.433 4.039 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(C)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617400 PCSBHGVSTPCHKL-REWPJTCUSA-N 408.406 4.104 0 1 HIAF Cc1nn([C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1Cl 587657774 ZNRPVSYQBLJFJV-ZDUSSCGKSA-N 410.836 4.262 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)n(C)n2)N1 587712266 KHAOLBQZWJNHJD-ANRSDYALSA-N 406.221 4.138 0 1 HIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCCO 587798038 NNQSWYDWHQFXNR-YJYMSZOUSA-N 408.311 4.200 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc(N)sc3c2)N1 587856055 HYJGCQCCEVXFPV-YYSFKGJASA-N 406.324 4.578 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CCN1Cc1ccccc1 587864336 XOFSEMBOJVFDPI-LJQANCHMSA-N 415.415 4.492 0 1 HIAF O=c1cc(Cl)c2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1 653691279 XATVGNRTOUJFHU-UHFFFAOYSA-N 412.917 4.079 0 1 HIAF COc1ccc2c(c1OC)[C@](C)(CSc1ccccc1C(=O)O)N(C)[C@@H](C)C2 962619815 HFFGYESSUBYEJA-FPTDNZKUSA-N 401.528 4.286 0 1 HIAF CC(C)(C)[C@]1(c2ccc(N)cc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962659167 FUOILRYPBFJBFQ-RPBOFIJWSA-N 403.526 4.205 0 1 HIAF COC(=O)[C@]1(c2c[nH]c3ccccc23)c2ccsc2CCN1Cc1cccnc1 963010405 NJSVQMWRCUGJKV-HSZRJFAPSA-N 403.507 4.099 0 1 HIAF CO[C@@H](C)CNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772578955 KAPODPSZQHDNOD-LBPRGKRZSA-N 405.376 4.206 0 1 HIAF Clc1ccc2c(=NCc3cn(Cc4ccccc4)nn3)c3c([nH]c2c1)CCCC3 1772587721 RNRMCYXQNSQXAY-UHFFFAOYSA-N 403.917 4.441 0 1 HIAF COc1ccc(Cn2c(CCC(=O)N[C@@H](C)c3ccccc3)nc3cccnc32)cc1 1772631245 SIHBNWJKTANPSL-SFHVURJKSA-N 414.509 4.298 0 1 HIAF COc1ccc(-c2nnc(-c3cc(OC(F)(F)F)ccc3-n3cncn3)o2)cc1F 1857603535 CYAAJEPOZNKZEL-UHFFFAOYSA-N 421.310 4.031 0 1 HIAF COc1ccc(C(=O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 1857745941 RRMZLAPWHMMVCV-UHFFFAOYSA-N 413.514 4.132 0 1 HIAF COC(=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=C1C[C@H]3O 2356738933 LEMNKDYZZKCTCV-UEHUIRMCSA-N 404.591 4.486 0 1 HIAF O=C(c1ccccc1)c1ccc(OC[C@H](O)CN[C@H]2CCCc3ccccc32)cc1 3446505 LVUSIYDZJCXTSI-RDGATRHJSA-N 401.506 4.325 0 3 HIAF CN(C)C(=O)Oc1ccc(-c2cn3cc(NC(=O)c4ccccc4)ccc3n2)cc1 633448 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O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@@H]1n1cc(C2CC2)nn1 72141520 YZURTNKNJIUDGQ-QHAWAJNXSA-N 414.962 4.420 0 1 HIAF CCCCCc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)oc1C 82165809 MFEZXYMIZFGICI-MRXNPFEDSA-N 423.517 4.134 0 1 HIAF CC(C)n1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82206521 AMXSTLPIWJYCEV-IBGZPJMESA-N 402.583 4.348 0 1 HIAF CCOc1ccc(C(C)=O)cc1CSc1nc2cc(F)ccc2n1CC(=O)O 84668858 RZHWTUBXTAZZEL-UHFFFAOYSA-N 402.447 4.154 0 1 HIAF O=C(O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2C2CC2)cc1 95572841 ZBXMYMGVIZIYNF-UHFFFAOYSA-N 405.498 4.002 0 1 HIAF COc1ccc(Sc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1OC 136906542 KQFWAHJPCZAWRR-UHFFFAOYSA-N 405.479 4.497 0 1 HIAF C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(C)c4)ncnc3cc2OC)CC1 141713227 QSSKFKCURYVBPD-UHFFFAOYSA-N 418.497 4.246 0 1 HIAF CCc1[nH]c(=O)c(Cc2cnc3cc(OC)ccc3c2)c2cc(OC)c(OC)cc12 169703371 YNHQXCDMFQRWLP-UHFFFAOYSA-N 404.466 4.255 0 1 HIAF Cc1cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)cc(C(C)(C)C)c1 169707329 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4.356 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3NCCc4cccc2c43)[C@H]1c1ccc(F)cc1 587346572 JLNIECWKWJTOGD-OPHFCASCSA-N 401.437 4.376 0 1 HIAF COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)o1 587357617 UUKZNYUTESHUCZ-NFBKMPQASA-N 410.397 4.494 0 1 HIAF C[C@@]1(CSc2nncs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372709 FZLDBUGQZRNHKD-APWZRJJASA-N 402.472 4.293 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(C)c(Br)c21 587459804 PVMAEFRWDBCJJQ-HXUWFJFHSA-N 416.271 4.228 0 1 HIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587489914 WVTKYCLEQHRRSL-QAPCUYQASA-N 405.491 4.051 0 1 HIAF C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@@]21C 587560304 FMHLBKLLDWRXRG-GTLMKPBJSA-N 421.541 4.369 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587588363 KAZLCQZCBGFMSO-CYFREDJKSA-N 421.449 4.391 0 1 HIAF CCOC(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592438 HDAFHGZRQHNHCD-XUZZJYLKSA-N 420.417 4.037 0 1 HIAF CCOC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1cc(F)c(Cl)nc1Cl 587637305 GFXNYUWDTVPLRY-UHFFFAOYSA-N 411.216 4.480 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(C(F)(F)F)cc2)N1 587709847 BIHWQHOQDLLMMX-BTDLBPIBSA-N 418.228 4.377 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(=O)O)n(C)c3ccccc23)N1 587753518 JKSOMYSSCJAWLC-MLCYQJTMSA-N 417.278 4.402 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCNC(=O)OC(C)(C)C)N1 587755429 OFYQFTPYXZWAAC-ADLMAVQZSA-N 401.320 4.252 0 1 HIAF COc1cc(C)cc2c1OCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587834887 NCPOTHVIWXCTQI-YUNKPMOVSA-N 406.295 4.466 0 1 HIAF COc1ccccc1C1=C[C@]2(NCCc3c2c(C(C)C)nn3C)c2ccc(O)cc2O1 962917327 MGRCJQUCXORFFH-VWLOTQADSA-N 417.509 4.081 0 1 HIAF Cc1ccc([C@]2(c3c(N)sc4c3CCC4)NCCc3nc4ccccn4c32)cc1F 962981231 FKCZJAVSBMBJPT-XMMPIXPASA-N 418.541 4.352 0 1 HIAF COc1nc(C(=O)[C@@H]2C[C@H]2C(=O)O)ncc1N(CC1CC1)c1cccc2ccccc12 1772616349 QYPOYXFLLPVCEL-QZTJIDSGSA-N 417.465 4.090 0 1 HIAF COc1cc(N(Cc2cccc(Cl)c2)CC2CC2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O 1772657091 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O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2[nH]ncc2c1 72178618 IKANYDMRAFPCDG-LJQANCHMSA-N 403.313 4.340 0 1 HIAF C[C@H](C(=O)NCc1ccc([C@H]2C=CCC2)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73239784 XLVSBBAKCTYGEW-RDJZCZTQSA-N 416.518 4.051 0 1 HIAF Cc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 116823143 CJUYFTMJBXJBFH-BGYRXZFFSA-N 408.505 4.300 0 1 HIAF COC(=O)[C@H]1[C@@H](c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccccc2)[C@H]1C 169347086 ZPWSMNJWLWWFPP-MORSLUCNSA-N 406.404 4.150 0 1 HIAF C[C@@]12CC3CC(NC(=O)CCn4sc5cccc(F)c5c4=O)(C1)C[C@](C)(C3)C2 299839353 YAFWPZIMAZZCDK-BGCCBAISSA-N 402.535 4.457 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc(Cl)c2[nH]1 586939012 YTOYJUVTPZNOCR-CQSZACIVSA-N 424.979 4.001 0 1 HIAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cc1 586955158 LTNOLPJYBKDFSD-UHFFFAOYSA-N 401.507 4.394 0 1 HIAF CCOc1n[nH]c(-c2nc3ccc(F)c(Br)c3[nH]2)c1Br 586979196 JNELDGDJWJKRPK-UHFFFAOYSA-N 404.037 4.016 0 1 HIAF Cc1ccc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2n1 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Cc1ccc(CNC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577230 JWNMNYKYDIUNCC-DHLKQENFSA-N 417.461 4.127 0 1 HIAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(N)ccc2O1 587580932 TXGHISKTNYWEQV-RDPSFJRHSA-N 403.434 4.393 0 1 HIAF Cc1nc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)no1 587587726 PPUAARZLNUURRB-DENIHFKCSA-N 400.390 4.454 0 1 HIAF COC[C@@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587723570 BKZYGXMYAWYWAF-MGNBDDOMSA-N 400.238 4.291 0 1 HIAF CCc1nn(CC)c2c1[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587768026 ZMXGCFKRRWFCMS-YUNKPMOVSA-N 406.343 4.481 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587769969 BYAJLFWRUJOKCH-XWCIJXRUSA-N 413.331 4.421 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC3CCOCC3)nc2)N1 587770314 IPCJPQDISSAMQC-FKIZINRSSA-N 421.310 4.165 0 1 HIAF CCOC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587793493 NCXUUQGJRRACAF-MPBGBICISA-N 422.294 4.154 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801695 HUENJETZECNSSU-UGZDLDLSSA-N 407.283 4.037 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCc1nc2ccccc2[nH]1 587870106 WNBNNGFABCKUMJ-UHFFFAOYSA-N 415.375 4.122 0 1 HIAF COC(=O)Cc1cc(OC)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1OC 587943405 ZQGVSAINOKNIKJ-UHFFFAOYSA-N 409.910 4.385 0 1 HIAF O=C1C[C@]2(C[C@H](c3ccco3)[C@@H]1n1cncn1)NCCc1cccc(-c3ccccc3)c12 962671073 WECSCJHRORKBQI-NYMACZPPSA-N 424.504 4.267 0 1 HIAF CCOC(=O)C(F)(F)c1ccc([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)n1C 963096159 CSGKKLDMWNMYQO-YCRPNKLZSA-N 406.448 4.103 0 1 HIAF CC(=O)C[C@@H]1CCCC[C@@]12N[C@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963189444 WPLNBYJXJFSMKZ-XAYKYTGQSA-N 403.828 4.322 0 1 HIAF COc1ccc2c(c1)[C@@](C(=O)O)(c1ccc(F)cc1)N(Cc1ccc(F)cc1)CC2 963304188 RWCXBFNCUHLGBK-XMMPIXPASA-N 409.432 4.360 0 1 HIAF CC(C)(C)Nc1c(-c2ccccc2F)nc2c3ncn(CCN4CCCC4)c3ncn12 1857535592 RAWNOKNAYYEZTE-UHFFFAOYSA-N 421.524 4.191 0 1 HIAF Cc1cccc(NC(=O)N[C@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 598729 MYNLMIGJXBPKMR-JOCHJYFZSA-N 404.514 4.489 0 1 HIAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049423 QDSHOAGOOITOGH-FPOVZHCZSA-N 417.912 4.029 0 1 HIAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CSCC)CC2)cc1 13444654 QMUNKLLETTWTBJ-UHFFFAOYSA-N 420.619 4.116 0 1 HIAF O=S(=O)(CC(F)(F)F)N(Cc1cccnc1)c1cccc(OC2CCCC2)c1 26832109 WCYYNLFGFUQJMF-UHFFFAOYSA-N 414.449 4.302 0 1 HIAF in-vitro CCCCC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N21 26950959 VXZPZDGVAUGUMM-ZRBLBEILSA-N 415.537 4.284 0 1 HIAF Cc1c(Br)ccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28884488 JNJKTURNCLNWAF-UHFFFAOYSA-N 410.267 4.455 0 1 HIAF COC(=O)CC/C=C/CC[C@H]1C(=O)C[C@@H](O)[C@H]1/C=C/C[C@](C)(O)/C=C/C1=CCCC1 34192608 ZZVPHCPLTZTOBC-ARJRVJAOSA-N 416.558 4.206 0 1 HIAF O=C1N[C@@H](c2cc3ccc(Br)cc3[nH]2)CN=C1c1c[nH]c2ccccc12 40394904 AQISXXIBBBVKLX-GOSISDBHSA-N 407.271 4.072 0 1 HIAF biogenic O=C(c1ccccc1)C1(c2ccccc2)CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1 49071536 ZINMAVWMOCKSRF-CLJLJLNGSA-N 411.545 4.431 0 1 HIAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1cccc2ccccc12 169351555 JVVFEBJFWYCXOQ-QWMDBFCWSA-N 420.505 4.424 0 1 HIAF COC(=O)C1=C[C@@H]([C@@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2OCCC[C@@H]12 169355934 COSCUZRDNFVXDW-JNGUWMMZSA-N 409.320 4.297 0 1 HIAF CNc1nc(Nc2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2OC)ncc1Cl 169705017 IABVILFOULNYAX-STQMWFEESA-N 403.914 4.042 0 1 HIAF Cc1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCC(F)(F)CC2)cn1 207640678 PSSGFZSWEAPGGY-KRWDZBQOSA-N 411.855 4.385 0 1 HIAF CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)C(=O)O 299832372 FPIZUBHJQMKCPU-QFIPXVFZSA-N 415.493 4.472 0 1 HIAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2cccnc2)nc2ccc(OC)cc12 299853132 GGLPNSAWEAKNAF-TXUMWKRHSA-N 403.526 4.459 0 1 HIAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 299877039 GQNUGIAZZYIEJI-QTGUNEKASA-N 422.912 4.472 0 1 HIAF C[C@H]1COc2c(CNc3cccc(Cl)c3)c(F)cc3c(=O)c(C(=O)O)cn1c23 473243888 DYPCFEYSXIFSNH-JTQLQIEISA-N 402.809 4.058 0 1 HIAF O[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C1CCOCC1 586912645 FJTYQTPGRLWYOH-LJQANCHMSA-N 417.303 4.364 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc([C@H](C)O)s5)[nH]c4c3)o2)cc1 587022818 ZHKHGDKWNPTZNN-NSHDSACASA-N 419.466 4.465 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(F)c(F)c3)[nH]c2c1 587145884 UMEZJEJFYNCNHA-UHFFFAOYSA-N 415.421 4.318 0 1 HIAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587182135 LUHIMTYUMYWFIC-LURJTMIESA-N 422.604 4.213 0 1 HIAF Cn1ccnc1[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339011 DCQGYLHWRMOWLI-NFBKMPQASA-N 404.397 4.161 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345288 IOMNKQQSBJOTBK-GBXCKJPGSA-N 421.424 4.457 0 1 HIAF COc1cc(OC)c2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(=O)O)[nH]c2c1 587523120 GZCRWXGIMSLJRY-IBGZPJMESA-N 421.449 4.469 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1N1CCOCC1 587555918 HWUOAYBXLDAMHZ-GBXCKJPGSA-N 421.424 4.071 0 1 HIAF O=Cc1ccnc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccn2)c1 587588827 SLTXUHBMAOFFIA-RCZVLFRGSA-N 424.412 4.365 0 1 HIAF COCc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587591008 FFPKKUQMUBNEEC-ZJSXRUAMSA-N 406.434 4.424 0 1 HIAF CC(=O)N1CCc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587592548 HVMOEXXVYAUQIU-WIOPSUGQSA-N 415.445 4.178 0 1 HIAF Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nn2)cc1 587760932 RFZOURVZPMKXGT-RNODOKPDSA-N 415.310 4.160 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(N)=S)c2)N1 587847020 VWVBXZAAUMIQGR-YPMLDQLKSA-N 408.340 4.041 0 1 HIAF COCCc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587853352 QFKZXECZZRWQOK-XTZNXHDOSA-N 413.356 4.340 0 1 HIAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cnc(C3CCCC3)s2)N1 962646063 WBTNGWALFRGKRI-GDBMZVCRSA-N 412.433 4.388 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(Oc4cnccn4)cc3)C2)cc1 1772593689 YVAAODBHUCTLPM-GAJHUEQPSA-N 418.497 4.124 0 1 HIAF COc1ccc2oc(=O)c(C(=O)C(F)(F)F)c(Nc3ccc4c(c3)OCO4)c2c1 1772605406 CKCMUZPDQAQWLJ-UHFFFAOYSA-N 407.300 4.019 0 1 HIAF Cc1cccc(Cl)c1-n1cnc2[nH]c(=Nc3ccc(F)c(F)c3)sc2c1=O 1857566314 OINXIPYARYMOGC-UHFFFAOYSA-N 404.829 4.248 0 1 HIAF CCn1c([C@@](O)(c2ccccc2F)c2ncccc2C)nc2ccc(CCCO)cc21 1857618208 VGWUCTPBTYUTCW-RUZDIDTESA-N 419.500 4.108 0 1 HIAF CNC[C@H](O)c1ccc(O)c2c1C[C@H]([C@H]1OC[C@@H](C)c3ncccc31)CC(C)(C)C2 2356361188 WLEJUQSLUFOHJJ-KUBSJMJMSA-N 410.558 4.046 0 1 HIAF COc1ccc(-c2nn(-c3ccccc3F)cc2CNCCn2nc(C)cc2C)cc1 13596652 LXPWQQDJNRLNPW-UHFFFAOYSA-N 419.504 4.290 0 3 HIAF COc1cc2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c2c1OC(C)(C)C=C2 15119300 WNOFGVICQRDQSB-UHFFFAOYSA-N 408.406 4.390 0 1 HIAF biogenic CCCc1cc(=O)oc2c(C(=O)C(C)(C)[C@@H](C)O)c(O)c3c(c12)OC(C)(C)C=C3 25970509 CKYLXONSZBPDTG-GFCCVEGCSA-N 400.471 4.225 0 1 HIAF CCCn1nc(C(C)C)c(C(N)=O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1 27628044 QLXIXKKEOFCMCV-UHFFFAOYSA-N 405.498 4.471 0 1 HIAF O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] 28827433 VHQVBTBBIBMMJF-UHFFFAOYSA-N 418.758 4.163 0 1 HIAF CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2cccc([C@H](F)CCCF)c2)C1=O 35269111 YLNRJQOYJWXWBO-DYESRHJHSA-N 423.410 4.288 0 1 HIAF COc1cc2c(cc1OC)Sc1ncnc(Nc3ccc4c[nH]nc4c3)c1NC2 40766647 AHHRQHYRHDOEHS-UHFFFAOYSA-N 406.471 4.190 0 1 HIAF CCCN(Cc1ccccc1Cl)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40917426 QBLLXZWAFQGZOZ-OAQYLSRUSA-N 420.891 4.010 0 1 HIAF COc1cc(-c2coc3cc(O[C@H]4CCCCO4)ccc3c2=O)cc(OC)c1OC 45286983 NGWXLUVKIAOYCX-NRFANRHFSA-N 412.438 4.391 0 1 HIAF CCCCOCCOC(=O)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(C)C 82082798 UFCVLBNVLUAEOX-GOSISDBHSA-N 419.547 4.001 0 1 HIAF CS(=O)(=O)c1ccc2c(c1)c1c(n2CCCc2nc3ccccc3[nH]2)CCCC1 95573867 GGZQWOBXMBYINN-UHFFFAOYSA-N 407.539 4.433 0 1 HIAF OC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H]2CN(Cc3ccncc3)CCCCN12 95877191 IIEQDBKKVIBHJT-TWJOJJKGSA-N 403.570 4.074 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1ccc2c3c(c(=O)oc2c1)CCC3 103178596 MWVMPUJVHWNQJX-KGENOOAVSA-N 406.434 4.021 0 1 HIAF Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C 117242011 DARIRPKWVLTKQE-UHFFFAOYSA-N 402.498 4.005 0 1 HIAF O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1 147816756 RJCLUDCGUNLXRQ-OAQYLSRUSA-N 411.509 4.019 0 1 HIAF C[C@@H]1c2nnc(-c3csc(-c4ccccc4)n3)n2CCN1C(=O)c1ccc(F)cc1 165177084 FONDHAXAYFJYSI-CQSZACIVSA-N 419.485 4.425 0 1 HIAF O=C1CCc2cc(OCCCCCN3CCOCC3)ccc2N1Cc1ccccc1 169308741 QNBGWPXFHUBCJV-UHFFFAOYSA-N 408.542 4.047 0 1 HIAF CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)C1 169703880 FBJKJDGXKNSOMV-UHFFFAOYSA-N 424.504 4.328 0 1 HIAF COC(=O)[C@]1(/C=C\[C@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@@H]21 195422583 KAZMGBQDEYZMGJ-HVGKOGRDSA-N 409.320 4.297 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586935392 GWHABCLGHSQOJX-MRXNPFEDSA-N 418.588 4.028 0 1 HIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Br)cnc(Br)c2[nH]1 587087743 GCOGPNYXRZPRAJ-LURJTMIESA-N 422.071 4.233 0 1 HIAF Fc1cnc(Br)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 587126865 GKNADQMQFDOFMI-UHFFFAOYSA-N 416.132 4.301 0 1 HIAF Fc1ccc(-c2nc3c(I)cccc3[nH]2)nc1Br 587155404 KZDQNJWUYZIGER-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF Nc1cccc(C(=O)O)c1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587248856 XYIDHCYRABSSGR-UHFFFAOYSA-N 416.153 4.171 0 1 HIAF CC[C@@]1(c2cc(C(=O)OC)n(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339904 GUMTUFTUCNOXGD-URXFXBBRSA-N 423.440 4.321 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCN3Cc4ccccc4N[C@H]32)[C@H]1c1ccc(F)cc1 587348409 RQYBVONHAYRVHW-ICDZXHCJSA-N 416.452 4.287 0 1 HIAF O=C(O)c1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352072 LPRCJBJYBOWHQR-ZJSXRUAMSA-N 404.393 4.430 0 1 HIAF Cc1ccc2c(c1)OC(=O)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358798 QKPGXKDADPDAAX-UPVQGACJSA-N 404.393 4.403 0 1 HIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC 587378320 UKGOVLZTUZATDD-INIZCTEOSA-N 406.276 4.454 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381713 JZXPMDSSGXUASA-HXUWFJFHSA-N 407.388 4.410 0 1 HIAF COc1ccc([C@@]2(c3cccc(N)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587392135 XCKBVTHUTWYWSF-DEOSSOPVSA-N 404.466 4.086 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc31)O2 587409665 SFNLQIQHWKVFML-LADGPHEKSA-N 403.434 4.373 0 1 HIAF CCOC(=O)CCc1c(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccn12 587435470 HILUBHYRNVMYHL-NSYGIPOTSA-N 419.477 4.241 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C[C@@H]1OCCc3ccccc31)(C(=O)OCC)CC2=O 587494204 XSNGTKMLYQUFSC-DHLKQENFSA-N 424.493 4.316 0 1 HIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC 587592793 KNGAIEWLBIDIRP-SIKLNZKXSA-N 408.406 4.121 0 1 HIAF COCCc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614151 RJGOWYDZXYCUHT-GCJKJVERSA-N 411.479 4.223 0 1 HIAF COc1ccc(CNC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587622836 HRJUVIFFTVFMTE-UHFFFAOYSA-N 413.275 4.054 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(Br)c2)N1 587682312 LFRNYIVGILZSPS-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cnn(C)c2)N1 587767322 YCSYUJPANDZLST-ZUOKHONESA-N 400.295 4.148 0 1 HIAF COc1ccc2[nH]c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587778223 LRSNDUDZAMNPDS-DGIBIBHMSA-N 417.278 4.062 0 1 HIAF Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C(=O)O)=CO2 587838761 OXFAFVYEEZNJLY-PRWKNARSSA-N 418.262 4.035 0 1 HIAF Cn1cc(-c2cc(C(F)(F)F)nc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)cn1 587873625 FGDMCOZWMLRCHW-UHFFFAOYSA-N 402.311 3.993 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@@H]3[C@H]3CCCN3C)nc(Cl)c2C)s1 653808340 KCVSSWIVRALAID-HRCADAONSA-N 421.998 4.233 0 1 HIAF O[C@@H]1C[C@H]2C[C@]3(C[C@H]1N2Cc1ccccc1)c1ccsc1CCN3Cc1ccco1 962709094 MQQIUQWXSJMSRT-JECRDHHXSA-N 420.578 4.393 0 1 HIAF C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@H]([C@@H]2CC[C@@H]3CCC4(CCCC4)[C@@H]3N2)[C@@]2(O)C[N@@]12 2356700873 JWRGEHATSYWSHI-KWTPVDRCSA-N 408.586 4.086 0 1 HIAF CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2cccc(N(C)C)c2)O3)cc1 61927199 VFDBPNAZCQOWAM-VWLOTQADSA-N 416.525 4.213 0 3 HIAF O=C(N[C@@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(F)c1 199410959 PSWUEORRDPJUTN-GOSISDBHSA-N 408.395 4.156 0 3 HIAF Cn1c(O)c(C(=O)C[C@@H](Nc2cccc(N)c2)c2cccs2)c(=O)c2ccccc21 3846498 UIETWYLONYEJCB-QGZVFWFLSA-N 419.506 4.314 0 1 HIAF biogenic CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358321 PFMGKNXOXIEXRB-AWEZNQCLSA-N 409.404 4.297 0 1 HIAF COc1cccc2c(CCN(C)C)cn(S(=O)(=O)c3ccc4ccccc4c3)c12 13645863 KJQPJUWCEXALQN-UHFFFAOYSA-N 408.523 4.144 0 1 HIAF CC(C)=Cc1ccc(-c2ccc(CCC[C@@H](P(=O)(O)O)S(=O)(=O)O)cc2)cc1 13746384 RGZAJJXKENRILA-FQEVSTJZSA-N 424.455 4.491 0 1 HIAF CC1(C)C=Cc2cc(-c3coc4cc5c(c(O)c4c3=O)C[C@@H](C(C)(C)O)O5)ccc2O1 14825198 CVRIJAMWTQXHRM-FQEVSTJZSA-N 420.461 4.424 0 1 HIAF biogenic CC(=O)c1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1 26376081 MKCBXPWPMVJKNB-UHFFFAOYSA-N 408.523 4.468 0 1 HIAF CC(C)(O)CSc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1 29466523 DHNTZEYGEFMOTJ-UHFFFAOYSA-N 405.463 4.034 0 1 HIAF NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(-c2ccncc2)cc1 45188188 OYQHIKUEKOEUHI-UHFFFAOYSA-N 418.500 4.349 0 1 HIAF Cc1cc(C)c2cc1C(=O)NCCCCOc1cccc(c1)Sc1cc-2nc(N)n1 73219425 INCKCPRNUKUIPD-UHFFFAOYSA-N 420.538 4.396 0 1 HIAF CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccn1 169695429 VHUQCJPWPCRVMF-UXHICEINSA-N 404.491 4.308 0 1 HIAF COC(=O)c1ccc2[nH]c([C@@H]3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1 169729498 QNOWIQIPRISMTP-CYBMUJFWSA-N 403.316 4.455 0 1 HIAF Cn1ccnc1C(=O)N1CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1 206195770 TXSQHPAXNKLDSO-UHFFFAOYSA-N 401.388 4.141 0 1 HIAF Cc1ccc(O)c(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 586992864 ZDENFIBBBMONEP-UHFFFAOYSA-N 411.413 4.460 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 587120392 HFZJNSCBMLNVJV-UHFFFAOYSA-N 412.677 4.431 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422262 SOWVHZYFQMLTPH-DCTNLQOOSA-N 403.400 4.432 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(OC)c1NC(=O)C(C)(C)C)CC2=O 587471628 USCQJASVRJOGCB-GOSISDBHSA-N 412.486 4.439 0 1 HIAF O=C(O)CC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568088 CRLWYTSTYRJGEK-NFBKMPQASA-N 408.381 4.253 0 1 HIAF CC1(C)COC2(CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)OC1 587610747 QONGDAPKDXXHOF-IBGZPJMESA-N 410.466 4.436 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)c(Br)c2)N1 587676511 FBGVVHAEIUQRPE-WJWGPLDTSA-N 416.088 4.075 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(N[C@@H](C)Cc4cc(Br)c(F)cc41)[C@H](C3)C2 587810111 TVLVCGDCNZNMHO-LDELJBEWSA-N 422.338 4.317 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ncccn3)n2)N1 587851173 HLXZGUUUHDAFHT-VFZGTOFNSA-N 405.296 4.125 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCc2nnc(C)n2C1 587859827 MHPXYABKRYDUTM-LBPRGKRZSA-N 420.300 4.058 0 1 HIAF O=C(O)/C=C/C=C\c1nc2c(C(=O)Nc3ccc(C(F)(F)F)cc3)cccc2[nH]1 587969142 RFPVIMPZJFJDCO-BHYIOOLYSA-N 401.344 4.488 0 1 HIAF C[C@@]1(c2cnc(-c3cccc(Cl)c3)s2)N[C@H](C(=O)O)Cc2cccc(F)c21 962900329 PSECHGRLYBXPEY-YWZLYKJASA-N 402.878 4.465 0 1 HIAF Cc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182174 NHLFWOWCOAMHNH-AUUYWEPGSA-N 411.807 4.292 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C[C@H](C)C(=O)O)c1ccc(Cl)cc1 963603928 CMINHWJPNAHNGR-OKHZJLECSA-N 403.906 4.246 0 1 HIAF Cc1nc(CCN2CCCN(Cc3ccccc3F)CC2)cc(-c2cccs2)n1 1857535146 VXHGTUUEGONEDU-UHFFFAOYSA-N 410.562 4.403 0 1 HIAF Nc1ccc(S(=O)(=O)Cc2nc3ccccc3n2Cc2ccccc2Cl)cc1 1857744633 OXCAKTMMVHVFLJ-UHFFFAOYSA-N 411.914 4.294 0 1 HIAF CC(C)CCCCCCCC[C@]1(O)C=C[C@H]2N(CCCCCNC(=N)N)CCCN21 2356819536 FCOYUTPAQLUJJA-UPVQGACJSA-N 421.674 4.009 0 1 HIAF CCCCNC(=O)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1 95601666 FDBFKDJIOVZDLE-HSZRJFAPSA-N 414.505 4.251 0 3 HIAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccsc1 774122 DMMQPRVBFBCFLD-SUMWQHHRSA-N 400.500 4.216 0 1 HIAF Cc1ccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 2256068 KBSIGJQSDAXLEH-NHCUHLMSSA-N 414.417 4.194 0 1 HIAF O=C(c1csnn1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1 3956168 LBBUYIOGTLDSEP-QHCPKHFHSA-N 404.539 4.338 0 1 HIAF CC(C)OCCCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C 4904629 CODBAAPDZDLTKB-UHFFFAOYSA-N 409.530 4.153 0 1 HIAF O=c1[nH]sc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br 13681978 HSKAYWQXMCMXAQ-UHFFFAOYSA-N 403.345 4.410 0 1 HIAF CN1CCN(CCc2ccc(C3=CC[C@H]4CN(Cc5ccccc5)C[C@H]34)cc2)CC1 29128055 WTJMJPZPMMIOOV-BDYUSTAISA-N 401.598 4.012 0 1 HIAF O=S1(=O)N=C(c2nc(Cc3ccccc3)c3ccccc3c2O)Nc2ccccc21 40875266 SZCDACLBXAKFFN-UHFFFAOYSA-N 415.474 4.092 0 1 HIAF COc1ccc(CCNCCCCCNCCc2ccc(Cl)cc2)cc1OC 45190693 JBJFHEHGFLOERB-UHFFFAOYSA-N 404.982 4.492 0 1 HIAF COc1cc2c(cc1NS(=O)(=O)c1c(Cl)nc3sccn13)C(C)=C(C)C2 45348563 OYCSAKPQXKWSDF-UHFFFAOYSA-N 409.920 4.208 0 1 HIAF CN(C)CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1 64549319 JTBGQWWYKCOVRU-UHFFFAOYSA-N 400.478 4.024 0 1 HIAF CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)O 82070048 FJURSDOOAOGTAC-LBPRGKRZSA-N 424.297 4.218 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(-c2ccccc2)cc1 82154127 NXXMDCANGJETHO-GOSISDBHSA-N 416.525 4.176 0 1 HIAF COc1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1-n1cnc(C)c1 103290257 VOQGFUMSCUTNRR-UHFFFAOYSA-N 412.298 4.297 0 1 HIAF O=C(O)CCCOc1cc(-c2cnco2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143456460 HIZWQMLFUMQCPS-FQEVSTJZSA-N 419.355 4.364 0 1 HIAF COC(=O)/C1=C/C=C(\C(C)C)CCC2=CCC[C@](C)(OC2=O)[C@@H](OC(C)=O)CC1 169292449 GCDVQIVAHBRSQZ-KRJIEBICSA-N 404.503 4.196 0 1 HIAF CC1=C[C@@H](/C=C(\C)CCCc2ccoc2)[C@]2(OC(=O)[C@@](C)(O)C2=O)[C@@H]2[C@@H](C)CC[C@@H]12 205229336 SUPAAFLITZURHL-GVJGBABDSA-N 412.526 4.403 0 1 HIAF O=C(Nc1nc(Cc2nc3ccc4ncccc4c3[nH]2)cs1)c1cccc(O)c1 587019947 UBXQAWIKOMGVPY-UHFFFAOYSA-N 401.451 4.116 0 1 HIAF Cc1csc([C@](O)(Cc2nc3cccc(Br)c3[nH]2)C(F)(F)F)n1 587094132 KRVJGDNUEMJWMA-CYBMUJFWSA-N 406.227 4.083 0 1 HIAF C[C@@]1(c2nc3cccc(I)c3[nH]2)C=C(c2ccccc2F)NO1 587156757 PSVAJFCMLCQIFX-KRWDZBQOSA-N 421.213 4.098 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(Cc4ccccc4N(C(N)=O)c4ccccc41)[C@@H](C2)C3=O 587436951 WEKOGIWJDHUNFA-AVRWGWEMSA-N 412.445 4.111 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C1)[C@@H](C2)C3=O 587442368 IOXROGAEORFDMY-DPSWKAHMSA-N 413.514 4.383 0 1 HIAF COc1cc2c3c(c1)O[C@@](CN1CCCCC1)(c1cc(C)c(O)c(C)c1)[C@@H](C2)C3=O 587444395 OLZVITYSTMXJQR-CPJSRVTESA-N 407.510 4.146 0 1 HIAF CCCc1c(O)ccc2c1O[C@](COCc1ccccc1)(CC(=O)OCC)CC2=O 587476273 AIPZJDZQXRXFNP-DEOSSOPVSA-N 412.482 4.219 0 1 HIAF O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Br)cc2O1 587495060 BNXJVSAGMCBUNF-NRFANRHFSA-N 413.267 4.498 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cccc(O)c1C(=O)c1cccc(O)c12 587532353 LHKSBHFRYRPKQA-AREMUKBSSA-N 412.441 4.430 0 1 HIAF O=C(O)CCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595659 LQBVPYWQDGXURW-ZJSXRUAMSA-N 420.417 4.339 0 1 HIAF CC1(C)C(=O)Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587597454 UPHIVSSFEKUXHN-CJFMBICVSA-N 415.445 4.499 0 1 HIAF CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CO 587599423 XIRXPANIJXEGAO-QPPBQGQZSA-N 406.434 4.376 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)CCC(=O)N3C)N1 587772636 IIXXXAQTIWZVIJ-LAJNKCICSA-N 417.322 4.295 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)s2)N1 587850586 ZYUINXVFFXMOJY-VOJFVSQTSA-N 411.340 4.110 0 1 HIAF CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)NC(C)C)cc21 653795644 MRQATYLSNUDCKK-UHFFFAOYSA-N 408.546 4.322 0 1 HIAF CC1(NC(=O)OC(C)(C)C)CC2(C1)NC1(CC1)Cc1ccc(Br)cc12 961319382 ICZMHZITBVUZGU-UHFFFAOYSA-N 407.352 4.400 0 1 HIAF COc1ccc(OC)c([C@@]2(CCCCC(=O)O)NCCc3ccc(F)c(C)c32)c1 962372634 HKFDERPOQTYKKW-HSZRJFAPSA-N 401.478 4.186 0 1 HIAF COc1cccc2c1OCC[C@@]21c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962636724 OHZLYBVHRTYTCM-WXVAWEFUSA-N 412.533 4.468 0 1 HIAF CC1=C2CCC(=O)[C@@]2(C)CC[C@@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962663078 JIMAUEXRFVVPGE-CCDWMCETSA-N 404.510 4.008 0 1 HIAF Cc1c([C@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)c(N2CCCC2)nc2ccccc12 962925579 WAIMJFDHPPDJQO-SQJMNOBHSA-N 419.500 4.145 0 1 HIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cscc2Br)N1 962962828 HSVUDIGVXIQMMD-MFKMUULPSA-N 408.651 4.131 0 1 HIAF COc1ccc(-c2noc(C)c2[C@H]2NCCc3cc4cccc(OC)c4nc32)cc1 963049287 BPMSDBBOZUPSPU-XMMPIXPASA-N 401.466 4.451 0 1 HIAF Cc1ccnc2c1CCN[C@]21C(=O)N(Cc2cccc3ccccc23)c2ccccc21 963069347 DPMFKJMSJOCVSH-MHZLTWQESA-N 405.501 4.479 0 1 HIAF O=C(O)c1cccc2c1[C@]1(c3ccc(F)cc3C[C@@H]3CCCN31)c1ccccc1C2=O 963089193 GDBJAALEUHVUTH-QLXKLKPCSA-N 413.448 4.381 0 1 HIAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4nc(C(=O)NC5CC5)cs4)c3c2)o1 1772614019 URZDNZCJPNIWLN-UHFFFAOYSA-N 408.487 4.054 0 1 HIAF CS(=O)(=O)c1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1 1857584542 ASDUNIRPFAQIPX-UHFFFAOYSA-N 412.410 4.173 0 1 HIAF CCNC(=O)c1ccc(-c2c(C)nc3c(OCCc4ccccc4)cccn23)cn1 1911585953 DOUIRNCGDWADKY-UHFFFAOYSA-N 400.482 4.076 0 1 HIAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNC(=O)C4CCC4)C=C3C)[nH]c2n1 2356308992 QGCHJERVPCMWEO-IPMKNSEASA-N 410.562 4.280 0 1 HIAF CC(=O)c1ccc(OCc2cc(C(=O)N3CCCC[C@@H]3c3cccnc3)no2)cc1 12303874 UMNBRAQOKYTKGO-JOCHJYFZSA-N 405.454 4.219 0 3 HIAF CCC(=O)[C@@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@@H]2CC[C@H]1N2 27984050 IPBBJWDRJMAEIL-KYXHQGGESA-N 403.691 4.148 0 1 HIAF Cc1ccc(CC(=O)NC[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 28523107 GFIKVUHWODPRCS-SANMLTNESA-N 413.565 4.217 0 1 HIAF CCCCC[C@H](O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 43123554 PEGKTVODCSBWQI-FQEVSTJZSA-N 413.580 4.097 0 1 HIAF O[C@H](CNCc1ccc(Br)cc1)Cn1c2c(c3ccccc31)CCCC2 73170197 NUXHYPLBQQBFPB-GOSISDBHSA-N 413.359 4.433 0 1 HIAF COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)c1 104116291 KPGPKYFVRUYEKA-OAHLLOKOSA-N 413.499 4.338 0 1 HIAF O=C(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F 118097616 IGARUGJELGRQHO-SBBZOCNPSA-N 415.856 4.114 0 1 HIAF CC(C)Cn1cc(-c2cc(C(N)=O)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144918842 WFQLGCUCERCFQY-NRFANRHFSA-N 415.415 4.084 0 1 HIAF C[C@H](C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)CCC(=O)O)C(=O)O 167306769 OFCQCSHBABYJSE-KUHUBIRLSA-N 417.889 4.010 0 1 HIAF CC(C)COc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)ccn1 169709804 ZESIVXCEIGYGCF-FDDCHVKYSA-N 423.557 4.361 0 1 HIAF CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCC[C@@H](C(F)(F)F)C3)[C@@H]2CC1 299815095 ATIUOFKXXHOPLM-DGYXETDDSA-N 401.469 4.096 0 1 HIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 586930141 GEIXNNAZYOAABU-UHFFFAOYSA-N 413.421 4.159 0 1 HIAF FC(F)(F)c1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cn1 586970336 XAILKAGGLXDGAX-UHFFFAOYSA-N 421.360 4.048 0 1 HIAF CCOC(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042056 HGNSORRIAHNTQI-MRXNPFEDSA-N 401.875 4.049 0 1 HIAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cccc(C(F)(F)F)c4[nH]3)n2)cc1 587112057 HVAXTVHJXJJUHT-UHFFFAOYSA-N 412.297 4.302 0 1 HIAF Cc1cc(Br)cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 587235050 DIRJKKPBOCNKTM-UHFFFAOYSA-N 422.323 4.497 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238590 DPQLORQHYCJRBO-LSWYUMSHSA-N 407.461 4.396 0 1 HIAF C[C@@]1(CC(=O)NCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339639 SGBIHERPYKBFCO-NOZRDPDXSA-N 419.452 4.355 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@H](C(=O)O)[C@@H]2CC3)c1 587363597 QZIXZHXPSCUGMU-YLEKAMJDSA-N 414.461 4.359 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCC3(CN(C(=O)OC(C)(C)C)C3)C1)CC2=O 587474300 GEVKOPGPPPRPFZ-QHCPKHFHSA-N 401.503 4.470 0 1 HIAF O=C1CC2(CCC(O)(c3ccc4c(c3)OCO4)CC2)Oc2c1ccc1c2CCCC1 587530495 CQMRJZBORYZYSM-UHFFFAOYSA-N 406.478 4.460 0 1 HIAF COc1cc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587591332 GNARWYZDOZSHES-ZJSXRUAMSA-N 422.433 4.295 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774067 LXMOAHHLTNZHQK-BJINURBMSA-N 411.315 4.101 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnccn2)(c2ccccc2)N1 587774103 LJTBHHZHHMRYBK-SZNDQCEHSA-N 412.306 4.399 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587776576 XJFRRMWSDMSHKW-IPJQRFBASA-N 411.315 4.101 0 1 HIAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O 587806547 JZSQMCRTITZCLK-APBUJDDRSA-N 408.267 4.146 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc(N)sc3c2)N1 587856049 HYJGCQCCEVXFPV-LZVRBXCZSA-N 406.324 4.578 0 1 HIAF CC(C)OCCCn1c(-n2nc3cc2Oc2ccc(F)cc2-3)nc2ccccc2c1=O 587874879 FAMFHTRYXCXXFE-UHFFFAOYSA-N 420.444 4.309 0 1 HIAF Cc1cc2c(o1)CC(C)(C)C[C@@]21c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962665093 KPPREYXXUMQQSO-LOSJGSFVSA-N 404.510 4.451 0 1 HIAF CC(=Cc1csc(C)n1)[C@@H]1CC=CCCC[C@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O1 2356512597 YQYQTGREIHNPDS-ZXUOCUECSA-N 405.560 4.489 0 1 HIAF CC(C)(C)[C@H](N)C(=O)N[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253977298 DKQUQODYLFKBLG-PDQZLYSZSA-N 402.623 4.168 0 3 HIAF Cc1ccc(NC(=O)CC(=O)N2N=C(N3CCCCC3)C[C@H]2c2ccccc2)cc1 1647551 GHMIHOYVFLHYTF-NRFANRHFSA-N 404.514 4.097 0 1 HIAF CCCN[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O 1902774 RDGUFKZGMLPVHL-QFIPXVFZSA-N 408.498 4.267 0 1 HIAF CS(=O)(=O)c1ccc(Cc2cc3c(cc2O)C[C@@H](CCc2ccccc2)O3)cc1 13453391 SQDCSZMVWAQBCP-OAQYLSRUSA-N 408.519 4.323 0 1 HIAF O=C(N[C@@H](CO)c1ccc(F)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959224 CHRQOFCKHUIEES-FQEVSTJZSA-N 424.863 4.328 0 1 HIAF O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCCc3ccccc32)CC1 22937430 RFCNHGNHAMPZOO-JWQCQUIFSA-N 408.561 4.131 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@]12C 26387060 WNENMRZSIGSSCW-DFSGXGEKSA-N 400.607 4.190 0 1 HIAF O[C@H]1CCCC[C@@H]1N1CCC(CCCC2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 28238036 OTKJKWJZVZDXKV-NDBXHCKUSA-N 406.655 4.188 0 1 HIAF CS(=O)(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 64527781 PWFWZBRXWTUXTL-UHFFFAOYSA-N 409.389 4.189 0 1 HIAF COCc1ccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@@]34CCCN24)o1 82056127 RHXHADRJPOFXHG-XWFZLUIHSA-N 400.906 4.017 0 1 HIAF Cc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CC[C@@H]2CCCN2C)o1 82178504 QVDPTLOLDJVIRX-IBGZPJMESA-N 416.529 4.491 0 1 HIAF CC(C)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@H]1CCCN1C 82187542 SMQBJIMDWGHBAJ-LJQANCHMSA-N 410.541 4.228 0 1 HIAF CC[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82207706 ZCGIFIZYYFBOCV-IBGZPJMESA-N 420.557 4.264 0 1 HIAF CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2CC1CCCC1 95667288 TUJDZJZAGUKGRP-RPBOFIJWSA-N 422.544 4.044 0 1 HIAF C[C@H]1CN(C)c2cccc3c2N1[C@H]1CCN(CCCC(=O)c2ccc(F)cc2)C[C@@H]31 139255834 QWOQSWADTUZGSG-HSQYWUDLSA-N 407.533 4.305 0 1 HIAF CC(=O)Oc1ccc(-c2nonc2NC(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1 169320947 MKUPXYLXURZJSD-UHFFFAOYSA-N 420.347 4.349 0 1 HIAF COc1ccc(-c2ccc3cc(C(=O)N4CCC[C@H](CO)C4)ccc3c2)cc1OC 169339980 QFOLWXLXCQGPGC-KRWDZBQOSA-N 405.494 4.369 0 1 HIAF CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 169349026 MKGFWLZEIHOFSB-KRWDZBQOSA-N 408.376 4.499 0 1 HIAF O=C(O)C[C@@H]1CCC2(CCN(c3cc(OC(F)(F)F)ccc3Cl)CC2)OC1 209048627 DIZADOFRCFKNSD-LBPRGKRZSA-N 407.816 4.479 0 1 HIAF S=C1N[C@@H]2/C(=C/c3ccc(Cl)cc3)CNC[C@H]2[C@H](c2ccc(Cl)cc2)N1 261156367 PZPVJFQTDWDACU-GNKHWHRNSA-N 404.366 4.184 0 1 HIAF CC[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@@H]2C1 299846606 GZJUVUXURINFEI-RCVRLOBCSA-N 402.575 4.385 0 1 HIAF S=C(Nc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 504249184 KLOZPBAJHPVGHH-PKICCIJUSA-N 411.571 4.007 0 1 HIAF biogenic O=S(=O)(Cc1nc2cnc3ccccc3c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950976 PAMNDFMRINOSTK-UHFFFAOYSA-N 421.526 4.043 0 1 HIAF Cc1cnc(Cl)c2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c12 586999526 FMUKOCUCWNXHBO-UHFFFAOYSA-N 406.623 4.161 0 1 HIAF Cc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1C 587169788 KVKPOEXDWJWBIR-NRFANRHFSA-N 409.486 4.387 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ncc(-c4ccc(Br)cc4)[nH]1)[C@@H](C2)C3=O 587417043 HTMLZDFGZNQKCE-LIRRHRJNSA-N 411.255 4.337 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccc(F)cc1C(=O)O)[C@@H](C2)C3=O 587425454 CTJUOJPVSDYUCZ-CYFREDJKSA-N 422.383 4.363 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1cn(CC(=O)O)c4ccccc14)(C(C)C)[C@@H](C2)C3=O 587430618 JVSRIIPBSBKUAC-XDHUDOTRSA-N 405.450 4.033 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCCN1CCCCC1)[C@@H](C2)C3=O 587440968 BWLZMEHSFBIQSI-YADARESESA-N 423.509 4.057 0 1 HIAF CC(=O)N(C)c1cccc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587515005 ZOOWQZONKJPUTH-BOMYWPOKSA-N 418.537 4.484 0 1 HIAF O=C(O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587576887 LCUQIFXSOJUFAN-URXFXBBRSA-N 415.401 4.134 0 1 HIAF CO[C@H](C)c1ccc([C@]2(CN)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587744944 DMJRTTBUWPPQDK-IZDJOXEWSA-N 407.327 4.032 0 1 HIAF Cc1ccc([C@@]2(c3nccn3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587757072 URPDDUBUPDFJCX-LHSJRXKWSA-N 414.322 4.456 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(C(=O)O)ccc1OC2(C)C 587835994 YIKJRBXIVYTMGS-WVDJIFEKSA-N 420.278 4.235 0 1 HIAF C[C@H](O)[C@@]1(c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 587847314 KGMHRIZGWOEDKE-YNEJBJPTSA-N 404.732 4.462 0 1 HIAF CN1CCC[C@@H]1CCNC[C@H]1CCN(c2ncnc3scc(-c4ccccc4)c23)C1 653665971 IUHQQVBGHOMFGE-UYAOXDASSA-N 421.614 4.259 0 1 HIAF COc1cc(OC)c2c(C)c([C@]3(C)NC[C@H]4CC(=O)N(C)c5cccc3c54)oc2c1 963017989 DJMWIJLTJPVLBU-JBEBIEQOSA-N 406.482 4.075 0 1 HIAF O=c1ccc2ccc(OC[C@H]3CC(c4ccc(Br)cc4)=NO3)cc2o1 1772612425 AWYGIZPDVNQYST-MRXNPFEDSA-N 400.228 4.128 0 1 HIAF CC[C@@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 1857599978 OKISXZNTABKJAU-CYBMUJFWSA-N 414.600 4.387 0 1 HIAF CC1=C[C@@]23C(=O)OC(C)(C)[C@H]1C[C@]2(O)CC1=C2C(=O)O[C@H](c4ccoc4)[C@]2(C)CC[C@@H]13 2356587391 JJXOUNRHCCYHOY-IVVSWERUSA-N 424.493 4.013 0 1 HIAF COc1cc(-c2cnc3c(NC=O)cc(-c4ccccc4)cn23)cc(OC)c1OC 61905952 NSHCPWFJIFNVKP-UHFFFAOYSA-N 403.438 4.262 0 3 HIAF O=C(O)c1cccc(-c2ccc3c(c2)N(Cc2cc(F)cc(F)c2)C(=O)COC3)c1 205224322 DFEIBWWJFHBNKA-UHFFFAOYSA-N 409.388 4.393 0 3 HIAF Oc1nc2c(O)ccc(CCNCCCCCCNCCc3ccccc3)c2s1 13556258 AXNVQVYGPYLDFR-UHFFFAOYSA-N 413.587 4.232 0 1 HIAF CC[C@H]1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 40640439 JFWJCWCZUQORCO-QFIPXVFZSA-N 410.481 4.338 0 1 HIAF Cc1ccc(NC(=O)c2cc(Br)cc(N3CCCN(C)CC3)c2)cc1F 45167587 MWDIZDFVXFOWKY-UHFFFAOYSA-N 420.326 4.291 0 1 HIAF COc1cc(Cn2cc(C(=O)Cc3ccc(Cl)cc3Cl)nn2)cc(OC)c1 72125714 SXJIDQACLAIQDA-UHFFFAOYSA-N 406.269 4.076 0 1 HIAF O=C(O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82072908 IAHIKKHXHLTNIZ-LBPRGKRZSA-N 422.281 4.068 0 1 HIAF Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4nnnn4C=N[C@@H]32)cc1 98083198 KVUHESOFOLRHJU-LADGPHEKSA-N 404.477 4.370 0 1 HIAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC)[C@H](C)[C@H](C)C2 138722039 WYKCWLMVRLFACA-HNYWDRBLSA-N 416.470 4.330 0 1 HIAF N#Cc1ccc2c(c1)c(C[C@H](O)CO)cn2-c1ccc(Oc2ccc(F)cc2)cc1 146627437 PCPLXIGUTKPMMD-FQEVSTJZSA-N 402.425 4.329 0 1 HIAF CCCCCCOc1ccc(C(=O)N[C@H](C)C(=O)N[C@@H]2CCc3ccccc3C2)cc1 148953195 KESXWGDGUNIUTR-AUSIDOKSSA-N 422.569 4.438 0 1 HIAF CC[C@H](C)C(=O)N1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166532039 KVRSDPLGCNPGRH-KRWDZBQOSA-N 422.529 4.045 0 1 HIAF Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)CNCC2 168642876 GBLZTKFXDPUOOD-UHFFFAOYSA-N 424.426 4.056 0 1 HIAF CC(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 210596966 GKCFGLBUEJGUOQ-UHFFFAOYSA-N 413.949 4.329 0 1 HIAF O=S(=O)(Cc1nc2cccc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586951585 ZIISDDZYDCYENR-UHFFFAOYSA-N 404.923 4.149 0 1 HIAF FC(F)(F)c1ncc2nc(-c3csc(Nc4cccc5ncccc45)n3)nc-2[nH]1 587017113 IFJLGXORVFQMQI-UHFFFAOYSA-N 413.388 4.739 0 1 HIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cs1 587018860 BMEUAINEKQBIAT-UHFFFAOYSA-N 414.466 4.282 0 1 HIAF C[C@]1(CC(=O)N2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337752 BMUWSIUSCAOIES-ISKFKSNPSA-N 411.473 4.442 0 1 HIAF C[C@]1(c2ccc(NC(N)=S)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587373774 IUKFVRBVLIFIGC-NFBKMPQASA-N 422.481 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](NC(=O)C(F)(F)F)c2ccccc21 587462434 QFOFSRFWHYDSFA-IIBYNOLFSA-N 419.399 4.329 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(C=C(CO)OC=C1OCc1ccccc1)CC2=O 587484321 SRKOFXACVDERRR-XMMPIXPASA-N 408.450 4.013 0 1 HIAF O=C1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc2N1 587569052 JZMLUBSMQWHQCY-NZQKXSOJSA-N 405.381 4.121 0 1 HIAF Cn1cc([C@@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587570146 KIQXFJRNTAEHEY-ZJSXRUAMSA-N 416.408 4.170 0 1 HIAF CN(CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OC(C)(C)C 587572417 PELURNWQAUBIBX-FDDCHVKYSA-N 413.470 4.370 0 1 HIAF CN1CCN(c2c(-c3ccc(Br)cc3)[nH]c3c(C(=O)O)cccc23)CC1 587638792 QDAAWQSQWLGXLG-UHFFFAOYSA-N 414.303 4.047 0 1 HIAF C[C@H](Cn1cc(Cl)cn1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657200 QDXGLLSMDWFYQB-CYBMUJFWSA-N 410.836 4.029 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)nn3)c(=O)c3ccccc23)c(O)c1 587665338 KVEWYYBNEOPQHZ-UHFFFAOYSA-N 421.888 4.048 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587697269 NGOSOLMOTMJVRS-DCXZOGHSSA-N 409.686 4.280 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587734814 WCVGPYGFBYRPOS-YUNKPMOVSA-N 424.285 4.458 0 1 HIAF COc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587746424 ZNUCDHICWCRESK-MPBGBICISA-N 421.310 4.375 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O[C@H](C)C(=O)O)c2)N1 587790239 GTRDDBAWGXFZQZ-HTGLOVNISA-N 422.294 4.238 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2(C(=O)O)CC2)N1 587820314 BAKBNAHCALZFPW-FKIZINRSSA-N 404.279 4.231 0 1 HIAF CCOC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc1C 587830693 UCVKNXSNCAXFPG-APBUJDDRSA-N 410.283 4.464 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@@H]2OCc2ccccc2)N1 587836828 XTIGEYZUYZUPFT-OREJSRFESA-N 420.322 4.323 0 1 HIAF CC(=O)N(c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1)C1CC1 587853469 NHCDYDBHKIDISH-XYZCENFISA-N 424.339 4.184 0 1 HIAF CCOC(=O)[C@@H]1CCSCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587856030 HSQIBMWEVVLYNN-RRUGBERISA-N 416.356 4.024 0 1 HIAF CCOC(=O)c1cc(OCC)n(-c2cc(F)c(Br)cc2F)c1OCC 587943710 ONXPWOCLAAFNPZ-UHFFFAOYSA-N 418.234 4.492 0 1 HIAF Nc1cccnc1C(=O)Nc1ccc(N2Cc3ccc(Cl)cc3C2=O)c(Cl)c1 653845060 BSFSWQDELBLJJG-UHFFFAOYSA-N 413.264 4.383 0 1 HIAF COc1ccccc1/C=C/CN1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 12466988 KEPKEUBJQMOXCB-SOFGYWHQSA-N 420.553 4.488 0 3 HIAF CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1)c1ccccc1 1912298 GHSJAVKLOCHEIG-NRFANRHFSA-N 424.522 4.377 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CCOCC1 4153773 BXHCZEDQSTZMBW-UPVQGACJSA-N 422.525 4.159 0 1 HIAF COc1ccc(C2(C(F)(F)F)N=N2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 28259734 VTJHFHDXRREQSB-HKUYNNGSSA-N 404.436 4.459 0 1 HIAF CCC[C@@H](CC(=O)O)n1ccc2cc(NC(=O)Cc3ccc4c(n3)NCCC4)ccc21 28475702 SSONDDGKHKLNPR-FQEVSTJZSA-N 420.513 4.392 0 1 HIAF CC(C)Nc1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C 36351794 YFLYQHULFMRTHA-UHFFFAOYSA-N 406.408 4.430 0 1 HIAF in-vivo Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2C[C@H](C)C[C@@H](C)C2)cc1 40829439 ZTESOUAADVEJOU-RTBURBONSA-N 405.542 4.441 0 1 HIAF CCc1c(Cc2c(F)cccc2F)nc(SCC(=O)c2ccccc2)[nH]c1=O 40879825 PZMCFTCRCLUFAU-UHFFFAOYSA-N 400.450 4.176 0 1 HIAF CN(C)c1ccc(-c2cscc2C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)cc1 45316913 HPBFBRPFCAWQAJ-HXUWFJFHSA-N 420.582 4.271 0 1 HIAF CCOC(=O)c1ccc(NC(=O)C(Br)(C(F)(F)F)C(F)(F)F)cc1 68574017 FHLYRWPTFQGGLB-UHFFFAOYSA-N 422.119 4.060 0 1 HIAF biogenic O=C(Nc1cc(Br)ccn1)Nc1cccc2c1[C@H]1CCCCN1C2=O 95578544 GFPGWHOCRYTVLL-CQSZACIVSA-N 401.264 4.169 0 1 HIAF Nc1ncnn2c1c(-c1ccc(Oc3ccccc3)cc1)nc2[C@H]1CC[C@H](CO)CC1 100619060 XVMYWCOUGUFFSM-MAEOIBBWSA-N 415.497 4.432 0 1 HIAF CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC3CCCC3)C2)N=C1N 138147399 NOZCXTAZEGFFAQ-XZDHIHRUSA-N 402.627 4.354 0 1 HIAF in-vitro O=C1CCc2ccc(NC(=O)N[C@@H]3CCOc4cc(OC(F)(F)F)ccc43)cc2N1 144407883 FXXBNNDOZOVWCQ-OAHLLOKOSA-N 421.375 4.115 0 1 HIAF COc1cc(CN2C(=O)[C@@H](C)C[C@@H]2c2c(OC)cccc2OC)ccc1OC(F)F 167382899 HNDLNRVVUUYXHR-DZGCQCFKSA-N 421.440 4.424 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@H]3c3ccc(C)o3)sc2c1 169690103 DBQKPIMGHJRMHE-ZWKOTPCHSA-N 420.446 4.255 0 1 HIAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3ccc4[nH]ncc4c3)nn3ccnc23)n1 207368694 VEHHNPXQTIIXQL-OAHLLOKOSA-N 410.485 4.400 0 1 HIAF CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCC3(CC2)CC3)cc1F 261104635 HEUVLYHJGIMASW-UHFFFAOYSA-N 409.523 4.132 0 1 HIAF O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 261104719 HGCUPVSMDWTYJY-IERDGZPVSA-N 412.518 4.319 0 1 HIAF O=S(=O)(CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc2c(c1)CCC2 586920347 JIFNADLPBOVOHM-UHFFFAOYSA-N 412.408 4.226 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(F)c(F)c(N)c3F)nc2c1 587137273 WWJLJHRUPCJHRR-UHFFFAOYSA-N 414.181 4.169 0 1 HIAF CSc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587187396 GFYHQMBHMFKRCD-UHFFFAOYSA-N 406.252 4.204 0 1 HIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(CCO)cc3[nH]2)c(C2CC2)n1 587230244 QLLGSYCBUIJOEJ-UHFFFAOYSA-N 408.502 4.062 0 1 HIAF C[C@@]1(c2cc(CC(=O)O)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374525 KRKNTSRALSAGOB-UNMCSNQZSA-N 412.438 4.494 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1CCCC[C@H]1C)[C@@H](C2)C3=O 587434566 AROJQXUWGPYYCN-UHUZZHMISA-N 407.510 4.437 0 1 HIAF Cc1nc(-c2ccc(Br)cc2)sc1-c1ccc2c(O)nc(O)nc2n1 587564303 PKFUVCZMNZSOGF-UHFFFAOYSA-N 415.272 4.297 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587700128 RUGHBNPXAADIFR-YYSFKGJASA-N 409.686 4.280 0 1 HIAF C[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 587761934 RHJPNRKKWMJXRX-UFYHVXEKSA-N 413.331 4.347 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C(=O)O)c3ccccc32)N1 587820235 AOYWNDWEPVOVEW-FYYVMTAXSA-N 404.279 4.328 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cc3ccccc3o2)(C(=O)O)N1 587830895 GRCNGYYTLVNYMQ-BIBXISHDSA-N 418.262 4.391 0 1 HIAF C[C@]1(c2cc[nH]c3nccc2-3)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963187514 VDFURXGRUZQFHD-CRAIPNDOSA-N 409.795 4.049 0 1 HIAF COC(=O)[C@]1(CC(=O)c2ccc3c(c2)CCCC3)c2ccc(C)c3c2C2(CC2)CN31 963730335 LVJJTULSIFASLD-SANMLTNESA-N 401.506 4.380 0 1 HIAF FC(F)(F)c1cnc(NCCCCNC(=S)Nc2cccnc2)c(Cl)c1 1857619379 UXECGRKKMVXNOD-UHFFFAOYSA-N 403.861 4.328 0 1 HIAF CC(C)=CCc1ccc(O)c2c1C(=O)c1c(c(C)cc3c1O[C@@H](C(C)(C)O)CO3)OC2 2356853256 REUMTLWYRYSHJD-LJQANCHMSA-N 424.493 4.243 0 1 HIAF CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2ccc(F)c(F)c2)O3)cc1 61926920 BRPKPGUKQZHDTE-XMMPIXPASA-N 423.463 4.103 0 3 HIAF CCN1c2ncc(COc3ccc(O)cc3)cc2C(=O)N(C)c2ccc(Cl)nc21 6385136 VSOOMDQCUKVIFC-UHFFFAOYSA-N 410.861 4.163 0 1 HIAF CC(C)NC[C@H](O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2N(C)C 26495208 QRJWWKRLFSIDAO-CAVKYZKFSA-N 414.634 4.211 0 1 HIAF CCC(=O)N(c1ccc(Br)c(Br)c1)[C@@H]1CCC[C@@H]1N(C)C 28237898 HXEHMPLACPOMPI-LSDHHAIUSA-N 418.173 4.437 0 1 HIAF Cc1cccc(C)c1OC(=O)[C@H](C)[C@H](O)C1(Sc2ccccc2)CCN(C)CC1 45193272 OBCRLNPUVSMFAN-KNQAVFIVSA-N 413.583 4.463 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1C 71333987 KKAKZTLYKANGNB-BQFCYCMXSA-N 412.490 4.057 0 1 HIAF Cc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3CCc2ccccn2)cc1 82179196 BKIOIXNEUGXXEX-UHFFFAOYSA-N 421.508 4.447 0 1 HIAF CC(C)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1 82187524 JEQRLESIEOPINJ-UHFFFAOYSA-N 410.541 4.229 0 1 HIAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CCCCC(=O)NO 167201615 VDIGVJGLKJPTED-UHFFFAOYSA-N 418.856 4.393 0 1 HIAF CC(C)c1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccccc1F 198930025 QCGXSMUBEQLLQZ-UHFFFAOYSA-N 419.503 4.027 0 1 HIAF Nc1ncc(-c2ccc(-c3ccccc3Oc3cc(N4CCC4)ncn3)cc2F)cn1 224807230 XCNXYPUQFXIAFX-UHFFFAOYSA-N 414.444 4.324 0 1 HIAF CCCN1CCc2c(C)c3c(n2-c2cc(Cl)c(C(N)=O)cc21)CC(C)(C)CC3=O 299859195 FKJCCKZLXXZQBR-UHFFFAOYSA-N 413.949 4.466 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 299879894 LKIKRFUYRAOTBB-CTSOBWNQSA-N 406.935 4.017 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc12 587014321 PTTUCELJXCOZHV-UHFFFAOYSA-N 424.324 4.177 0 1 HIAF Nc1c(-c2nc3c(S)nc(S)nc3[nH]2)sc2cc(Br)ccc12 587030202 ATPXDCNGUWFFKJ-UHFFFAOYSA-N 410.347 4.157 0 1 HIAF NS(=O)(=O)c1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587039916 GVZIDJSGAGECTL-UHFFFAOYSA-N 422.535 4.056 0 1 HIAF C[C@]1(c2nc3ccc(I)cc3[nH]2)C=C(c2ccccc2F)NO1 587155154 IGORUGJOTYKDBB-QGZVFWFLSA-N 421.213 4.098 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)cc(Br)cc21 587457559 KKBYFQLMPMBQTE-FQEVSTJZSA-N 416.271 4.228 0 1 HIAF O=C(O)CCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595656 LQBVPYWQDGXURW-URXFXBBRSA-N 420.417 4.339 0 1 HIAF CC(C)N1CCc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2C1 587620325 XZCDLAIKDYBLJV-UGKGYDQZSA-N 422.506 4.318 0 1 HIAF O=C(COc1ccccc1Cc1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587652098 KWRNQUGTWQYTCX-UHFFFAOYSA-N 404.853 4.360 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3nccnc3Cl)c(=O)c3ccccc23)c(O)c1 587664894 GKPUSQYUAYKLGT-UHFFFAOYSA-N 421.888 4.048 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587759723 VFRRQCZZCLDJMF-GIPWTMENSA-N 415.310 4.409 0 1 HIAF COc1ccccc1-n1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587761779 WANYOTJCSAXNAU-FKIZINRSSA-N 416.294 4.406 0 1 HIAF COCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587796936 UNAPJLRLAGKUIY-ODXCJYRJSA-N 424.310 4.246 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Br)n2)N1 587850743 FEXBTBMNGYMIJW-SREIQFSDSA-N 406.118 4.431 0 1 HIAF CC(C)c1nn(C)c2c1[C@](c1ccccc1)(c1ccc(C3OCCO3)s1)NCC2 962914322 FGFPSPSNXSVUAN-QHCPKHFHSA-N 409.555 4.088 0 1 HIAF CN1C(=O)C[C@@H]2CNC3(CC(c4ccc(Br)cc4F)C3)c3cccc1c32 963037610 VQVJDIPCFVBWSZ-UGQOVCNZSA-N 415.306 4.414 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]31CCN(Cc2ccccc2)CC1(F)F 963045493 GHZMZHAGBRTCLU-QHCPKHFHSA-N 409.480 4.126 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2cc(F)ccc2F)C(=O)OC)cc1 1772633536 XBIZVSJNGBCOEY-IVZQSRNASA-N 419.468 4.353 0 1 HIAF COc1ccc(NC(=O)C2CCN(c3ncccc3Br)CC2)cc1Cl 1857587576 JXACRVBSIGYPHN-UHFFFAOYSA-N 424.726 4.361 0 1 HIAF O=C(O)c1cc(-c2ccc(F)cc2)c(-n2cccc2)c(I)c1O 1857632120 PZAQSVDHGPHHRK-UHFFFAOYSA-N 423.181 4.292 0 1 HIAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4cc(OC)cc(OC)c4)ccc32)cc1 1857772688 QRSNDCACCYSIAL-UHFFFAOYSA-N 403.434 4.109 0 1 HIAF C[C@@H](N=c1[nH]c2c(cnn2C(C)(C)C)c(=O)n1Cc1ccccc1)c1ccc(F)cc1 1911584156 XIMMQQRUYYGBED-MRXNPFEDSA-N 419.504 4.130 0 1 HIAF COC(=O)C1=CCCC(C)=C[C@H]2OC(=O)C(C)=C2C[C@@H](OC(C)=O)C(C)=CCC1 2356496437 JQCWXJKSJTVECI-NHCUHLMSSA-N 402.487 4.116 0 1 HIAF COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 4041954 LEOQSVHBQMKCBW-LADGPHEKSA-N 423.557 4.121 0 1 HIAF COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@@H](C(F)(F)F)OC2 22944960 GGQQGJOPMGVPKN-JBACZVJFSA-N 406.448 4.412 0 1 HIAF CC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1CC[C@H]1C[C@@H](O)CC(=O)O1 26184289 IGQJDRRAFAJNLM-MOPGFXCFSA-N 423.488 4.196 0 1 HIAF CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)cc1 29131007 WZXBWZLVHBHFDT-UHFFFAOYSA-N 401.938 4.018 0 1 HIAF COc1c(-c2ccc3c(c2)CN[C@@H]3C)ccc2c(=O)c3c(O)nsc3n(C3CC3)c12 35090207 SSOPBSTVDIVBPO-LLVKDONJSA-N 419.506 4.492 0 1 HIAF COc1ccc([C@H]2CC(C3CCCCC3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 70459630 MFBGTNBCFBEARO-JOCHJYFZSA-N 413.543 4.230 0 1 HIAF Nc1scc(CN2CCN(C3CCCC3)CC2)c1C(=O)c1ccc(Cl)cc1 73222394 MLBNYNHTFZBWOO-UHFFFAOYSA-N 403.979 4.275 0 1 HIAF CCn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c2ccccc21 96175246 AGCNVMQBGLWVOV-BEFAXECRSA-N 419.550 4.335 0 1 HIAF Cc1cc(CN2Cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)c3C2=O)no1 96285855 RBLWOLKKTLUERQ-UHFFFAOYSA-N 417.296 4.275 0 1 HIAF COc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100633358 IFPKQBGRFPZAFI-CXAGYDPISA-N 416.930 4.022 0 1 HIAF O=C1Nc2ccc(Br)cc2/C1=C1/Nc2ccc(Br)cc2C1=O 136612541 JNKVMKJVDXSLEG-YPKPFQOOSA-N 420.060 4.183 0 1 HIAF COc1ccc(COC(=O)C2=C(c3cccs3)NC(=O)N[C@@H]2c2ccccc2)cc1 205385775 BALKLJYKTFYRRF-HXUWFJFHSA-N 420.490 4.265 0 1 HIAF CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCC(C)(C)O 219942552 NHLXRGNIXZDNBK-UHFFFAOYSA-N 413.547 4.146 0 1 HIAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cc1-c1ccccc1C 261178343 VLBCEYHWLPIXFN-NRFANRHFSA-N 404.466 4.320 0 1 HIAF COC(=O)Nc1nc2cc([S@@](=O)c3c(C)[nH]c4ccc(Cl)cc34)ccc2[nH]1 299820759 DQRKCQJHGSMMCV-HHHXNRCGSA-N 402.863 4.351 0 1 HIAF Fc1ccccc1-c1nnc(SCc2nc3cnncc3[nH]2)n1-c1ccccc1 587152711 DRRFAYXKONQXEQ-UHFFFAOYSA-N 403.446 4.032 0 1 HIAF COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(I)c1 587180480 RMAVYQRMQPYGFP-UHFFFAOYSA-N 422.222 4.004 0 1 HIAF C[C@]1(c2cn(-c3ccccc3)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343777 VHUWNUFXAMSMTO-LADGPHEKSA-N 415.424 4.386 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 587412062 LSQJOZSOTCPXIT-RPBOFIJWSA-N 415.445 4.306 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ncc1Br)[C@@H](C2)C3=O 587424061 WVCDRSZOTDVTIC-MGPLVRAMSA-N 414.177 4.360 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(F)c1)C1CCNCC1 587569287 HIUDLALBNPCAMR-RDGATRHJSA-N 419.452 4.388 0 1 HIAF C[C@@]1(c2cccc(N3CCC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583319 RPYYZPBZBSIAQI-URXFXBBRSA-N 401.418 4.006 0 1 HIAF O=C(c1cc(-c2ccco2)on1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655891 HDSVQKRQGIDUDG-UHFFFAOYSA-N 419.343 4.278 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(C)o2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832153 YUGORUKWOIJFFB-JEOXALJRSA-N 410.283 4.221 0 1 HIAF Cn1ccnc1NC(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1 653753173 ULVLJLJXBVFIRI-UHFFFAOYSA-N 421.411 4.228 0 1 HIAF Cc1cc(O[C@@H](C)[C@]2(C)NCCc3c(C(=O)O)cccc32)c2c(C)c(C)c(=O)oc2c1 963121126 JDNORXZWHACGNW-LMKMVOKYSA-N 421.493 4.245 0 1 HIAF O=C(CCCN1C(=O)c2ccc(F)c(F)c2C1=O)Nc1ccc(-c2ccccc2)cn1 1857575500 ZEBAQOIAMFYYQC-UHFFFAOYSA-N 421.403 4.042 0 1 HIAF C[C@]1(O)CCN(Cc2cccs2)[C@H](c2ccccc2)[C@H]1NC(=O)c1ccc(F)cc1 2356289807 ZYKGSWGLEHADDF-AKFKNWHVSA-N 424.541 4.384 0 1 HIAF OCCOCCN1[C@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 13580500 SPARNWYFZQKTHR-AIZNXBIQSA-N 417.496 4.075 0 1 HIAF Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@H]1C=Cc3c(c4ccccc4n(C)c3=O)[C@H]21 14588134 DDSKJOGDKJUJHO-PGRDOPGGSA-N 424.500 4.336 0 1 HIAF biogenic C=C(C)[C@@H](O)Cc1c(O)c(C(=O)C(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12 14589305 HUJQDILIRUAUFY-KRWDZBQOSA-N 408.450 4.189 0 1 HIAF biogenic O=C(O)CN1CCC2(CCC(C(=O)N3CCC(C4CCCCC4)CC3)CC2)CC1 28756831 RDSXFJKTNOUQMU-UHFFFAOYSA-N 404.595 4.162 0 1 HIAF Cc1cc(/C=C/c2ccccc2OC[C@H](O)CN[C@H](C)CCc2ccc(O)cc2)on1 29232265 SRGALVVKLPDAAI-OJRZNGHPSA-N 422.525 4.210 0 1 HIAF CC(C)NC[C@H](O)COc1ccc(CC(=O)O[C@H]2C[C@@H](C(C)C)C[C@@H](C)[C@@H]2C)cc1 29401039 XDTTWGPDHGKGPK-DGJRGIMWSA-N 419.606 4.217 0 1 HIAF CO[C@@H]1[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(F)(F)F)cc2)CCC1(C)C 29480165 WLUGALZQBLDUBW-JCGIZDLHSA-N 413.440 4.323 0 1 HIAF NC(=O)c1cnc(N[C@@H]2CCCC[C@H]2N)c2cc(-c3ccc(Cl)cc3)sc12 64573343 KYPDWYANHSPXEK-HZPDHXFCSA-N 400.935 4.397 0 1 HIAF COCCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1 82132749 PWHGCQTZJZNYFH-UHFFFAOYSA-N 424.932 4.218 0 1 HIAF CCN(CC)CCC[C@H](C)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82161856 OJJXUOUGDGLMNT-INIZCTEOSA-N 402.539 4.092 0 1 HIAF CCCCNc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2ccc(F)cc2)n1 82215047 ZYGASQBUQNXGJQ-UHFFFAOYSA-N 422.460 4.153 0 1 HIAF CC[S@](=O)C(=O)N(CCCC[S@@](C)=O)Cc1ccc(-c2ccccc2)cc1 96930144 PVJJMDLDEBSCNI-RRPNLBNLSA-N 405.585 4.203 0 1 HIAF Fc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3C3=CCNCC3)n2n1 142982701 YZZLAFBWMAPDEA-UHFFFAOYSA-N 404.424 4.190 0 1 HIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(F)ccc1Oc1ccc(OCC(F)(F)F)cc1 143206639 QCDCHYCAWONKAY-UHFFFAOYSA-N 422.334 4.500 0 1 HIAF O=C(Nc1ccncc1)Nc1cccc([C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1 169025671 FPZBIWLOOPEUJV-QGZVFWFLSA-N 413.485 4.381 0 1 HIAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc(N)c4)c3c2)CC1 169329657 SHXZIAYIFMVRPO-UHFFFAOYSA-N 415.463 4.200 0 1 HIAF O=C(Nc1ccc(Cl)cc1)N1CCC[C@](CCC2NN=NN2)(c2ccccc2)C1 169723115 JLXGARLQMCTBTK-OAQYLSRUSA-N 412.925 4.487 0 1 HIAF CC(C)[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 195489746 AHUKDBFUVJNLJK-ZODMCCGTSA-N 401.510 4.439 0 1 HIAF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCC[C@H](C)C2)cn1 217087321 SRYFAAODYUIKSL-SCLBCKFNSA-N 407.345 4.295 0 1 HIAF O=C(NC1CSC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 584630246 UOEOZDXSYRAUDZ-UHFFFAOYSA-N 405.401 4.286 0 1 HIAF N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586984040 MMAQMHUEPCWKTR-NSHDSACASA-N 400.198 4.467 0 1 HIAF CC(C)[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)N(C)C 587199194 ZJWPCRIWYDDZQX-SFHVURJKSA-N 406.939 4.276 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(I)ccc1F)O2 587385850 GMSZZIFRYZWMJI-QGZVFWFLSA-N 411.214 4.202 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CNC(=O)OC(C)(C)C)(C1CCOCC1)CC2=O 587468255 CQKOYOMAEBSTSN-HSZRJFAPSA-N 419.518 4.000 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(Cl)s1)CC2=O 587492145 AZIPTXIRFVUECR-HXUWFJFHSA-N 422.886 4.053 0 1 HIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(O)cc(-c2ccccc2)n1 587661438 OEUYMDCQEYUROH-UHFFFAOYSA-N 410.408 4.354 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(Cl)cc3)n2)N1 587694331 GNSYEDCBBBTFGX-MLCYQJTMSA-N 421.701 4.446 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCNC(=O)OCc2ccccc2)N1 587756202 QJCBQLSLVCHPOB-CXAGYDPISA-N 421.310 4.480 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCOC3=O)c2)N1 587764276 CVXPBWFYBMJWML-ODXCJYRJSA-N 419.294 4.343 0 1 HIAF CCOC(=O)CC[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587767952 BWUSWKXZBMLQRA-XCLFUZPHSA-N 421.310 4.104 0 1 HIAF Cc1ccc([C@@]2(/C=C/C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587829669 RYPHLCHMZOBASC-LDHDXPGBSA-N 404.279 4.315 0 1 HIAF CCN(c1ccc(-c2csc([C@@H](C)Cn3nc(C)cc3C)n2)cc1)S(C)(=O)=O 587923500 TZJSKYBGUWPLHM-AWEZNQCLSA-N 418.588 4.213 0 1 HIAF CCOC(=O)[C@H]1CCc2sc3ncnc(SCC(=O)c4cccs4)c3c21 958026599 WTESYGIAWGJSDR-JTQLQIEISA-N 404.538 4.321 0 1 HIAF CC(=O)Nn1c(C)cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1C 962640691 MFFPYVUSUKNIPU-ZEQKJWHPSA-N 414.553 4.031 0 1 HIAF O=C(c1cc2n(c1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O)N1CCCCC1 1772573784 LETGRCJTEOYDIM-UHFFFAOYSA-N 406.313 4.077 0 1 HIAF CCc1nn(Cc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)c(CC)c1CC(=O)O 1772581523 LSLVGKKEVBTDTA-UHFFFAOYSA-N 406.461 4.366 0 1 HIAF COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(C(=O)NCCC(C)C)cc1)C2 1772584905 GWWNERDQHKQIBF-UHFFFAOYSA-N 411.502 4.027 0 1 HIAF COc1cc([C@@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@@H](C)[C@H]2C)cc(O)c1OC 2356417219 VDZKDMJORWVROZ-VTLGYEHRSA-N 402.443 4.232 0 1 HIAF Cc1cccc(C)c1NC(=O)[C@]1(C)CSCC(=O)N1CCc1c[nH]c2ccccc12 95600533 SFVBYCASHVEAHD-DEOSSOPVSA-N 421.566 4.300 0 3 HIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ccncn3)cc2)c1C 838992 OXPDZJBNFCQMDY-UHFFFAOYSA-N 406.467 4.216 0 1 HIAF CC[C@H](C)C(=O)O[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 5893060 PCZOHLXUXFIOCF-LEHPAEQBSA-N 404.547 4.196 0 1 HIAF COCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 13530085 IOVWTDMVMHJYTM-UHFFFAOYSA-N 412.489 4.138 0 1 HIAF CCCn1c(-c2ccc(F)cc2)nc2c(NC3C[C@@H]4CC[C@H](C3)N4C)nc(C)nc21 13782941 FLABGLALTXSQHU-YQQQUEKLSA-N 408.525 4.388 0 1 HIAF CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCCC(C(=O)O)(CC2)CC3)cc1 40404365 DUEIVZSAOXTVES-UHFFFAOYSA-N 420.513 4.417 0 1 HIAF O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccc(F)cc1 63539982 XZONYYFHQICDAM-UHFFFAOYSA-N 412.428 4.261 0 1 HIAF CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2CCc3ccccc3C2)n1 82066820 FPJYIYDCSIDGGG-MRXNPFEDSA-N 405.502 4.446 0 1 HIAF CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCc3ccccc3)ncnc21 82178414 SOJCBTWHOMJNRM-IBGZPJMESA-N 402.502 4.183 0 1 HIAF CCN(CC)C[C@@H](O)CN(Cc1ccc(C)cc1)Cc1cc2ccccc2nc1OC 96939076 ILXDTIWVEUWTNG-XMMPIXPASA-N 421.585 4.257 0 1 HIAF CCc1c(C)c2ccc(OCc3ccccc3/C(=C\OC)C(=O)OC)cc2oc1=O 103178498 VLNPXUVSUCCKNC-KGENOOAVSA-N 408.450 4.403 0 1 HIAF COc1cc2[nH]cc(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c2cc1OC 103228845 VNFZSWBHQWSTQG-UHFFFAOYSA-N 410.489 4.462 0 1 HIAF COC(=O)c1c[nH]n2c(NC3CCC(C)CC3)c(-c3ccc(OC)c(OC)c3)nc12 103618178 XKCGLAJVMSWKBG-UHFFFAOYSA-N 412.490 4.124 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@@H]4CCCO4)n3)c(Cl)cn2)CC1 169703703 PHHPXJDRQAFCBI-XHSDSOJGSA-N 401.942 4.070 0 1 HIAF CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707015 QDDAIENJQSSXCW-MRXNPFEDSA-N 424.451 4.116 0 1 HIAF C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473081736 CYHGCAMRFRTVNB-LLVKDONJSA-N 404.804 4.010 0 1 HIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cccc(C(=O)O)c3[nH]2)c1 587147533 SBVJVHKUBSYINP-UHFFFAOYSA-N 406.369 4.441 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)C[C@@H]1CCCO1 587198114 YNLPKCWWLBUTQW-JTQLQIEISA-N 401.294 4.181 0 1 HIAF Cc1cc(C)c(S(N)(=O)=O)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209885 WDIGZXWFBYZWBN-UHFFFAOYSA-N 414.486 4.377 0 1 HIAF C[C@@]1(c2cccc3oc(N)nc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333810 IFOTZXYQKHITLS-CVDCTZTESA-N 404.397 4.529 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCc4ccc(OC)c(Br)c41)[C@@H](C2)C3=O 587417306 LEBORCCPGVVJHR-LHSJRXKWSA-N 415.283 4.446 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(Cl)cc4Cl)nn1)[C@@H](C2)C3=O 587421111 SOSVBGDVCHXMON-BUXKBTBVSA-N 402.237 4.071 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4ncccn14)[C@@H](C2)C3=O 587426542 DICLCMYZLSFAGN-AOMKIAJQSA-N 401.397 4.033 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Cl)=COc1cc(O)ccc12 587552226 OVPQVBTXZNOXNR-KNQAVFIVSA-N 408.793 4.428 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1F 587567647 IMBKKKVOOBFXAJ-ZJSXRUAMSA-N 421.424 4.071 0 1 HIAF CCn1ncc([C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587723397 WOOKUSJVXROATB-XYZCENFISA-N 402.258 4.156 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncn2)(c2ccccc2)N1 587777401 HGQZEICNIQTNGI-SPLOXXLWSA-N 412.306 4.399 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCC(=O)O)c2)N1 587790324 FXFANLRDJDRDAV-MPBGBICISA-N 422.294 4.455 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCC(=O)O)N1 587794073 NUSSHECYQXACAY-JEOXALJRSA-N 408.267 4.065 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3cccs3)CC2)N1 587850748 FIYQWPQPRVLFJV-GFCCVEGCSA-N 423.351 4.315 0 1 HIAF CCN(C)C(=O)Oc1cccc([C@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1 962617134 BSUBDUIQXXLUGU-VOIUYBSRSA-N 412.530 4.294 0 1 HIAF Cn1c(-c2ccc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)o2)nc2ccccc21 963239042 ZPPCXCKBDPHBDL-AUSIDOKSSA-N 424.460 4.070 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2cccc(OC)c2)C(=O)OC)cc1 1772600383 DKMKGYWRJYODPO-GAJHUEQPSA-N 413.514 4.083 0 1 HIAF Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)n(Cc2cccc(N3CCCCC3)n2)c1 1857598609 NANUMQJVRKUMGI-UHFFFAOYSA-N 418.497 4.181 0 1 HIAF COc1ccc2nc(C(=C3C(=O)Nc4ccc(C(=O)O)cc43)c3ccccc3)[nH]c2c1 1857624507 GTHUEDBAWKTNDV-UHFFFAOYSA-N 411.417 4.181 0 1 HIAF CC(C)(C)N1C(=O)c2c(C(=O)OCc3ccccc3)[nH]c(-c3ccccc3)c2C1=O 72141864 ATDGCHKHRQLAJO-UHFFFAOYSA-N 402.450 4.433 0 3 HIAF Cc1ccc(-c2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)no2)cc1 201476243 ZHXCVBZLNXDVCQ-CQSZACIVSA-N 423.947 4.328 0 3 HIAF COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1CCCC[C@@H]1O 773447 ZDLZASGTMPIJJF-MSOLQXFVSA-N 410.445 4.190 0 1 HIAF COc1ccc(-c2oc3c(OC)c(Cl)c(OC)c(OC)c3c(=O)c2OC)cc1 13386472 XHKNIXRPLGLVRM-UHFFFAOYSA-N 406.818 4.156 0 1 HIAF endogenous,in-man Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCS3 13488009 RFRAMVDLVRFQPK-UYAOXDASSA-N 411.546 4.155 0 1 HIAF O=C(N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccc(Cl)cc1 13601542 OYFZQSPLHJMXQM-FQEVSTJZSA-N 407.832 4.025 0 1 HIAF Cc1nc(N2CCCC2)c2nnn(-c3ccc(C(C)C)cc3Br)c2n1 13794701 RYIQWKCCVGAEII-UHFFFAOYSA-N 401.312 4.005 0 1 HIAF COc1cc(/C=C/c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1 14957755 BQAKNRDEPAZDKP-YJJPMGAVSA-N 400.482 4.086 0 1 HIAF COC(=O)/C1=C/CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H](OC(C)=O)/C(C)=C\CC1 15161842 JQCWXJKSJTVECI-ANVCQMOXSA-N 402.487 4.116 0 1 HIAF O=C(O)[C@H](CCOc1cccc2ccccc12)CN1CCN(c2ccccc2)CC1 26666144 OTDRUQFCAVFJCN-OAQYLSRUSA-N 404.510 4.132 0 1 HIAF Cc1ccn2nc(SCc3nnc(SCc4cccc(Cl)c4)o3)nc2n1 40408330 QIXXNVAZGSIOQZ-UHFFFAOYSA-N 404.908 4.054 0 1 HIAF Cc1cccc(C)c1NC(=O)[C@H](NC(=O)C1=CC(C)(C)NC1(C)C)c1ccccc1 40641185 YHODCMGZWLUCIO-OAQYLSRUSA-N 405.542 4.186 0 1 HIAF OCCN1CCN(Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)CC1 45321940 UDKIOOPEUPULQT-UHFFFAOYSA-N 412.537 4.007 0 1 HIAF CCCCNc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccccc2)n1 82133732 CJZGRMRAYZTUTH-UHFFFAOYSA-N 404.514 4.337 0 1 HIAF CN(C)CCCNC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 84728334 LNQQIONQWXOLBX-UHFFFAOYSA-N 415.946 4.489 0 1 HIAF COc1ccc(C2=NN(C(=O)[C@@H]3COc4ccccc4O3)[C@@H](c3ccccc3)C2)cc1 95563590 JJNGTQBXROZDIP-QPPBQGQZSA-N 414.461 4.213 0 1 HIAF O=C(Cc1ccc(Br)cc1)Nc1cccc(Oc2ncnc3[nH]ncc23)c1 95586894 MXCDPUJELOTUHB-UHFFFAOYSA-N 424.258 4.089 0 1 HIAF C=CC(=O)Nc1cccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)NC)n2)c1 96935132 BWOMHWHLMCLCGL-UHFFFAOYSA-N 422.876 4.101 0 1 HIAF CCn1c2ccccc2c2cc(NC(=O)CSC(=S)N3CCOCC3)ccc21 98084904 YCQICSQYZCCLMF-UHFFFAOYSA-N 413.568 4.103 0 1 HIAF Cc1ccc(-c2ccc(C3(Cc4nnn[nH]4)C4CC5CC3CC(C4)C5O)cc2)cc1 103233307 HHAOIVOAQIVISD-UHFFFAOYSA-N 400.526 4.083 0 1 HIAF CCCN(CCC(=O)N[C@H]1CCCc2ccccc21)C(=O)c1cc(OC)cc(OC)c1 136630000 ROZUQMUUSMFXPX-QHCPKHFHSA-N 424.541 4.140 0 1 HIAF CC1CCN(c2c(S(=O)(=O)c3cccc(C#N)c3)cnc3ccc(F)cc23)CC1 137641223 VOCWUZPZHXGQJR-UHFFFAOYSA-N 409.486 4.315 0 1 HIAF Cc1c([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cnn1-c1ccccc1 142150319 OEHBRBWELIGUEC-DNVCBOLYSA-N 406.490 4.125 0 1 HIAF CC[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C5CC5)c(NC(C)(C)C)nc34)[nH]c21 222382898 SKRRMVNHSWITRS-MRXNPFEDSA-N 405.502 4.131 0 1 HIAF O=C1c2ccccc2C(=O)N1CCCCCCNC1CCN(Cc2ccccc2)CC1 299861685 IPLRZZABEVUDRB-UHFFFAOYSA-N 419.569 4.097 0 1 HIAF FC(F)(F)c1cnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 587018571 IEAOBUBNICSQRV-UHFFFAOYSA-N 418.400 4.462 0 1 HIAF CC(C)CCOc1cc2nc(CNC(=O)c3cscn3)[nH]c2cc1Br 587027496 DXWMRUHOSLSQHA-UHFFFAOYSA-N 423.336 4.137 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc2c1 587126001 ISTMSERMIWVJJF-UHFFFAOYSA-N 421.213 4.052 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136608 SNELQERYPIEDRF-UHFFFAOYSA-N 401.232 4.064 0 1 HIAF CC(C)Oc1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1 587183177 BJQZFVKFZVJKOL-OAHLLOKOSA-N 421.282 4.197 0 1 HIAF CCOC(=O)C[C@@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358232 WEYUGYRESZPXDO-GMAHTHKFSA-N 410.397 4.332 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O 587418660 AGZGRMJSYUMEFE-OXJNMPFZSA-N 400.356 4.388 0 1 HIAF CCC[C@H]1C(=O)N2CCCc3cccc(c32)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437145 DOZRPFLHFBJSOH-CEYNDMKZSA-N 403.478 4.047 0 1 HIAF CCc1cc(=O)oc2cc(C)cc(OC[C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 587454305 SJXOWKPROSRMTF-NSYGIPOTSA-N 420.461 4.258 0 1 HIAF C[C@]1(c2ccc(Br)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543058 HGVSMQVNBXTMNU-FXAWDEMLSA-N 412.239 4.427 0 1 HIAF Cc1ccc(Cl)c2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551691 ILHUBOYMCLOTQF-VGOFRKELSA-N 407.809 4.163 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1-n1cccn1 587570417 KOKQEMFONVHMBS-OFNKIYASSA-N 402.381 4.420 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582293 ZLVNPUJTRUCIKK-XZRIDHLOSA-N 411.454 4.170 0 1 HIAF CC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)nc1C 587587956 OVWBXDGTZAHWTR-ZJSXRUAMSA-N 403.434 4.484 0 1 HIAF O=C(c1cncc(Br)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657734 YVEBDDUCSPEVFE-UHFFFAOYSA-N 424.229 4.049 0 1 HIAF O=C(CN1CCCc2ccccc21)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661424 OAMUKNWYBZDRMI-UHFFFAOYSA-N 413.452 4.296 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587761028 NFPWCFMKVWKHDC-CJBNDPTMSA-N 413.331 4.421 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3cccn3)cc2)N1 587761457 UNXIBPUAAGCXJM-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF Cc1cc2ncc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)n2n1 587799378 YMEOJHUZBLJRIR-DGIBIBHMSA-N 403.299 4.045 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Br)o1 587866660 IMCQCWTXXOETDQ-UHFFFAOYSA-N 416.153 4.017 0 1 HIAF COc1ccccc1-c1ccc2c(c1)CC[C@@H](CN(C)C)[C@]2(O)c1cccc(O)c1 653821005 HTAYRDXHIXFQRU-HFZDXXHNSA-N 403.522 4.428 0 1 HIAF COc1ccc2c(c1)[C@](c1ccc(Br)cc1)(C1CNC1)N(C(C)C)CC2 962043566 LDTATGPLSZCWMQ-QFIPXVFZSA-N 415.375 4.187 0 1 HIAF COc1cc2c(cc1OC)[C@](Cc1ccccc1)(c1c[nH]c(C(=O)O)c1)N(C)[C@@H](C)C2 962561571 DHDSGLASKNZFDP-LMKMVOKYSA-N 420.509 4.093 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cccn1-c1ccc(Br)cc1)NCC2 962927874 FCXKSTVMENGWJK-OAQYLSRUSA-N 424.342 4.177 0 1 HIAF Cc1c(O)ccc2c1[C@](c1ccccc1)([C@H](C)Oc1ccccc1)N[C@H](C(=O)O)C2 963527708 QEOOWTRMAMAJNC-SBJAYZTMSA-N 403.478 4.011 0 1 HIAF COc1ccccc1OCCNC[C@H]1CCOC(c2ccccc2)(c2ccccc2)O1 1857567260 IPGPPSLCUMESRR-HSZRJFAPSA-N 419.521 4.370 0 1 HIAF Fc1ccc(N=c2[nH]c(Cl)nc(=Nc3cccc(C(F)(F)F)c3)[nH]2)c(F)c1 1857631000 HUKXJIDZZZGPDM-UHFFFAOYSA-N 401.726 4.153 0 1 HIAF COc1ccc(CCC(=O)C[C@H]2CCC[C@H](CC(=O)CCc3ccc(O)cc3)N2)cc1 2356375942 JGDGIEYGWBIOHI-FGZHOGPDSA-N 423.553 4.395 0 1 HIAF O=S1(=O)CCOC[C@H](CC2CCCCC2)N1Cc1cccc(C(F)(F)F)c1 15937233 AOOLOQCDEUWXIT-SFHVURJKSA-N 405.482 4.206 0 3 HIAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1ccccc1 1863290 DEFIUIMCPXKHQD-ZMZPIMSZSA-N 411.310 4.066 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@@H]2OC(=O)NC2=O)cc1 3808332 MTUFZLVOIXMPKC-FQEVSTJZSA-N 406.438 4.187 0 1 HIAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4054638 OGDOVIGXOQRDQR-URVUXULASA-N 414.933 4.442 0 1 HIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1cccc(OCC)c1 4153237 MARULYAQJNQIKM-GMAHTHKFSA-N 410.514 4.492 0 1 HIAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295879 PHFXWLKDVFDSCF-FRMWTETBSA-N 418.896 4.094 0 1 HIAF Cc1cc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4C)o3)CC2)ccc1F 6737494 SYDZRGLXBWDGHG-UHFFFAOYSA-N 415.490 4.061 0 1 HIAF COC(=O)C[C@@H]1c2ccccc2C(Cc2ccc3c(c2)OCO3)=C(C)N1C(=O)OC 8682182 GWGXYZKUIAPJGD-LJQANCHMSA-N 409.438 4.075 0 1 HIAF Cc1cccc2c(=O)[nH]c(C3=C[C@H](N4CCN(c5ccc(Cl)cc5)CC4)CC3)nc12 28954786 QJKXVFJNFCANON-HXUWFJFHSA-N 420.944 4.253 0 1 HIAF C[C@@]1(c2ccccc2)C(=O)Nc2cc(Br)cc(Br)c2C1=O 28977887 FTFCLURVGKMMQL-INIZCTEOSA-N 409.077 4.304 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCCOc1ccc(C[C@]2(C(=O)O)CCCO2)cn1 34717774 FJPNDQPXIIPWFS-DEOSSOPVSA-N 422.481 4.233 0 1 HIAF OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ncc45)c(Cl)c3)c21 43196353 RBVREWVCSCUBOY-UHFFFAOYSA-N 420.860 4.489 0 1 HIAF CC(C)(CO)N1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1 49087844 KPWMQBPJZXGXJB-UHFFFAOYSA-N 411.937 4.137 0 1 HIAF FC(F)(F)c1cc(-c2nc(N3CCc4[nH]cnc4C3)no2)cc(C(F)(F)F)c1 73196476 OCCUWVAUQWJIPS-UHFFFAOYSA-N 403.286 4.060 0 1 HIAF COCCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1cccc(C)c1 82145335 JEUXQWYDGRYUAC-UHFFFAOYSA-N 418.541 4.181 0 1 HIAF CC(C)(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1C[C@H]1CCCO1 82197025 MHRGVEPYXZCSCO-GOSISDBHSA-N 411.525 4.388 0 1 HIAF Cc1ncccc1Oc1ncnc(OC2C[C@@H]3[C@@H]4C[C@H]4[C@@H](C2)N3C(=O)OC(C)C)c1C 101417708 FWAAPZFDGYIRMI-NCXUSEDFSA-N 424.501 4.056 0 1 HIAF COc1ccc2c(=O)cc(-c3cnn(Cc4ccc(OC(F)(F)F)cc4)c3)[nH]c2c1 146214170 WBMVSJVDNGAHBJ-UHFFFAOYSA-N 415.371 4.347 0 1 HIAF CN(C(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)c1ccccc1 147042476 QXAHXNZIALRXIP-UHFFFAOYSA-N 406.461 4.047 0 1 HIAF COc1ccc(COC(=O)C2=C(c3ccccc3)NC(=O)N[C@@H]2c2ccccc2)cc1 205384247 MKDWZFWVPYWDDB-JOCHJYFZSA-N 414.461 4.204 0 1 HIAF COc1cc(N2CCOCC2)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1 223710056 ZBJKHBDXYYMSMW-UHFFFAOYSA-N 422.533 4.072 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc([C@H](O)c5cccc(O)c5)[nH]c4c3)o2)cc1 586892577 RVZRUEOHAUXGOZ-HXUWFJFHSA-N 414.421 4.076 0 1 HIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 586948589 PBNCQQCUTABIPB-UHFFFAOYSA-N 412.284 4.282 0 1 HIAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc(F)c4[nH]3)CC2)cc1 586955227 NDCIEHPXYKSQET-UHFFFAOYSA-N 401.507 4.394 0 1 HIAF Ic1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587018229 WQDUSQVHSBOZNF-UHFFFAOYSA-N 407.236 4.475 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(CCC(=O)c3ccc(F)cc3)nc2c1 587161797 DNELLFBHJFRGHF-UHFFFAOYSA-N 419.250 4.457 0 1 HIAF O=C1CCc2cc3nc(-c4cc(I)ccc4Cl)[nH]c3cc2N1 587182997 UFJDIGHBRSKUMK-UHFFFAOYSA-N 423.641 4.373 0 1 HIAF CCS(=O)(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587226048 OFSIXVCKOMYSSO-KRWDZBQOSA-N 407.536 4.113 0 1 HIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cn1 587246738 FRMTYTAXXBLYQW-UHFFFAOYSA-N 417.263 4.070 0 1 HIAF CCOC(=O)C1(c2ccc(F)cc2)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587427939 KGWZJHLIOHDUJO-PNEAOOGRSA-N 424.468 4.396 0 1 HIAF COc1cc2c3c(c1)O[C@](Cc1ccnc(SC)n1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428679 NZGXBVPDDVNXQE-FDDCHVKYSA-N 422.481 4.232 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1cn4ccccc4n1)[C@@H](C2)C3=O 587437456 ZWGURICYBRXVNN-DFBJGRDBSA-N 412.445 4.411 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(C(OC)(OC)c1ccccc1)[C@@H](C2)C3=O 587438255 DNAYZMIGTQKOOY-OFVILXPXSA-N 416.473 4.484 0 1 HIAF Cc1nc(NC[C@H]2CCCO2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587536328 UNJPDDYTVXAJAF-WAIKUNEKSA-N 412.555 4.802 0 1 HIAF C[C@@]1(c2cc(F)nc(N3CCCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569846 MOJJOMDWHMLRBC-URXFXBBRSA-N 420.440 4.404 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(Cl)c3)c2c1 587649306 PIKWHXLWDWWLGG-UHFFFAOYSA-N 401.793 4.475 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(F)CN(C(=O)OC(C)(C)C)C2)N1 587721638 PWHHZDCSYCVIHW-BONVTDFDSA-N 417.294 4.123 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)([C@@H](O)c2ccco2)N1 587828658 OQAFIIDVYLMWNP-VMKIBOBSSA-N 406.251 4.286 0 1 HIAF CN1CCN(c2ccc(-n3cc(-c4ccncc4OC4CCCCC4)cn3)cc2)CC1 653899321 WDDUOQDGYWMZCG-UHFFFAOYSA-N 417.557 4.398 0 1 HIAF O=C(Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1)c1nn(-c2ccccc2)ccc1=O 1857750288 LVMHDWOVCBEOCS-UHFFFAOYSA-N 423.432 4.105 0 1 HIAF O=C(N[C@]1(Cc2ccccc2)C(=O)Nc2ccc(Br)cc21)c1ccccc1 1911585346 DYPNMGJAKGSRHF-QFIPXVFZSA-N 421.294 4.269 0 1 HIAF Cc1c2c(c(O)c3c1O[C@]1(C)CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]1C3)C(=O)OC2 2356325323 XBGQHUQSZVWBPL-NKMDHKBNSA-N 400.515 4.278 0 1 HIAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NC[C@@H](O)CC 770404 RNXNCZKHKKZYJL-NGYIFUPDSA-N 424.541 4.188 0 1 HIAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NCC(C)(C)CO)c1 775280 NJVAAUDAHIIABX-UHFFFAOYSA-N 412.461 4.295 0 1 HIAF COc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@H]32)ccc1O 6530567 DOHAFUYYATUHNR-PKTZIBPZSA-N 424.541 4.231 0 1 HIAF O=C1CCCC[C@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22927469 PFWYQMRPYJCLKX-DEOSSOPVSA-N 406.570 4.170 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)N(C(=O)OCC)[C@@H]1c1ccccc1Br 26482369 OMFZZYIQGFYRTI-MRXNPFEDSA-N 409.280 4.218 0 1 HIAF c1ccc2nc(COc3ccc(OCc4ccc(Cc5nnn[nH]5)cc4)cc3)ccc2c1 28220592 GTBAXPIVLNRIOG-UHFFFAOYSA-N 423.476 4.497 0 1 HIAF O=C(Nc1ccccc1Br)N[C@H]1CCN(c2ccnc3ccccc23)C1 45202823 DZGXQOPZHDNVIX-AWEZNQCLSA-N 411.303 4.398 0 1 HIAF O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)n1c(=O)[nH]c2cc(Cl)ccc21 96905538 VBOQHNMSUBKKBM-LJQANCHMSA-N 401.869 4.160 0 1 HIAF CC(=O)N1[C@H]2C=C(CN3CCC(Nc4ccc5ccccc5n4)CC3)C[C@H]1CCC2 101451410 DQQJTBKQLYIUIZ-DHIUTWEWSA-N 404.558 4.211 0 1 HIAF O=C(O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)F)c(OC(F)F)c1 103250085 ITOPHTCFBLGYAI-VXGBXAGGSA-N 413.323 4.330 0 1 HIAF O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1cc(OCC(F)(F)F)c(C2CC2)cn1 149237196 JNQAIADWINAWLA-HNNXBMFYSA-N 419.325 4.329 0 1 HIAF Cc1cnc(-c2ccccc2[C@@H](C)O)nc1NCC1CCN(c2cccnc2)CC1 169303065 GJNPUBPVDHBQQG-GOSISDBHSA-N 403.530 4.229 0 1 HIAF COC(=O)[C@@H]1CC[C@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H]12 238741708 MYUACHJYYCBZTB-RMDFBKEZSA-N 414.542 4.244 0 1 HIAF Cn1c2c(c3ccccc31)CC(=O)N(c1ccc(F)cc1)[C@H]2C(=O)NC1CCCCC1 299830760 OGUNSHAKUXGQGC-XMMPIXPASA-N 419.500 4.397 0 1 HIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586962524 FSVCRUBSMVJYOG-SFHVURJKSA-N 406.515 4.442 0 1 HIAF Cc1ccc(-c2csc3ncnc(SCc4nc5cnnc(O)c5[nH]4)c23)cc1 587040272 YBYOVOQVEGKNSG-UHFFFAOYSA-N 406.496 4.331 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3ccccc3Cl)nc2c1 587059147 PBDWWXKGHPDBCU-AWEZNQCLSA-N 422.710 4.398 0 1 HIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Br)cnc2[nH]1 587197926 BGDLFSILBNEMFG-UHFFFAOYSA-N 422.286 4.246 0 1 HIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc1OC 587340708 UHNULBFBZLKLLC-OFNKIYASSA-N 409.413 4.218 0 1 HIAF COc1cc2c3c(c1)O[C@H]([C@H]1CC[C@@H](NC(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587431482 GHSBJUFPNNAPDV-QFOUMGLESA-N 421.493 4.296 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1-n1cncn1 587549990 UQRLIQRWFHYEAW-DENIHFKCSA-N 419.824 4.329 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585342 CHJNZKCADMDFMA-HUWAZJHZSA-N 423.465 4.264 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587587116 FQECTLGPKHMTDI-YADARESESA-N 421.449 4.391 0 1 HIAF CC[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609510 NETOJSYJGIAMFV-QPPBQGQZSA-N 404.418 4.431 0 1 HIAF O=c1c2cc(Cl)ccc2cnn1-c1ncccc1-c1nc(-c2cccc(F)c2)no1 587651850 PXPLSBHHKLJBEQ-UHFFFAOYSA-N 419.803 4.290 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cccnc2Cl)N1 587706235 PFEMXJVAEDBWJJ-LDOYSUHVSA-N 424.745 4.490 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c(F)c(O)c(F)c2F)N1 587723897 ZCOYTGGQOSHEOQ-AANKLQPISA-N 408.164 4.474 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(C(=O)O)N1 587729024 BRZKHEJEQXFZQY-FVEXXERHSA-N 408.242 4.255 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCC3=O)c2)N1 587768189 LGFJUOKEYXQGBU-MPBGBICISA-N 403.295 4.123 0 1 HIAF COc1cc(C2(c3nc4cc(Br)cc(C(=O)O)c4[nH]3)CC2)ccc1C 587924935 HITBYGSICMJKNR-UHFFFAOYSA-N 401.260 4.421 0 1 HIAF COc1ccc2c(c1OC)[C@](C)(CSc1ccccc1C(=O)O)N(C)[C@H](C)C2 962619819 HFFGYESSUBYEJA-PEBXRYMYSA-N 401.528 4.286 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(CO)N(c3ccc(F)cc3)C=C2OC)N1 962951633 OLCCSRLGUFABCP-NSYGIPOTSA-N 419.500 4.311 0 1 HIAF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3cccc(Cl)n3)CC1)C2 1139549901 NQXMJGWHWLUOTH-KRWDZBQOSA-N 414.933 4.410 0 1 HIAF O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccc(Cl)c(F)c1 1772586892 JATJVTHLUABLLD-IOMROCGXSA-N 420.887 4.113 0 1 HIAF COCC(=O)N(c1ccc(C(C)(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1cccnc1 95596315 HHTAADAUSUEJGX-NRFANRHFSA-N 411.546 4.015 0 3 HIAF COC(=O)CCC(=O)c1ccc2c(c1)C[C@@]1(C2)Cc2ccc3c(c2C1)CCCC3=O 1855602 XWFALCLNUQKGLQ-AREMUKBSSA-N 402.490 4.225 0 1 HIAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4051578 QXSMWXUTFDQBEL-YDUONIPWSA-N 418.896 4.094 0 1 HIAF O=C1C[C@@H](c2ccccc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)O1 13382654 GQAGUHWGUCXTSY-HNNXBMFYSA-N 416.385 4.018 0 1 HIAF biogenic CCC1(CC)CCC(NC(=O)[C@@H](CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1 13447253 AFCWKTHKVQUQFI-GOSISDBHSA-N 422.953 4.168 0 1 HIAF Cc1cccc2c(-c3ccc(F)cc3)cn(C3=CCN(CCN4CCNC4=O)CC3)c12 13731256 PQNSPAOOWUBCML-UHFFFAOYSA-N 418.516 4.328 0 1 HIAF O=C(O)C[C@](O)(CSCCCCCc1ccccc1-c1ccccc1)C(=O)O 13758292 UYSRTIVREXCPKD-QFIPXVFZSA-N 402.512 4.090 0 1 HIAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(O)c1 36189329 NOUYCYGNOBPMES-GUCZTKFNSA-N 408.542 4.244 0 1 HIAF CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O 40893659 YNNCJPLSEBDJPD-QHCPKHFHSA-N 420.509 4.100 0 1 HIAF COc1ccc(OC)c(CCNc2cncc(Oc3cccc4cccnc34)n2)c1 82068526 GBIJIPGUBMGTOZ-UHFFFAOYSA-N 402.454 4.489 0 1 HIAF CC(C)CNc1ncnc2c1nc(CCc1ccccc1)n2CCN1CCCCC1 82178069 HALOFQYETSXGIA-UHFFFAOYSA-N 406.578 4.165 0 1 HIAF COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C)on4)c3)c2cc1OC 84652833 SFVQKUIJLYJJCY-UHFFFAOYSA-N 421.413 4.380 0 1 HIAF Cc1cc(C)c(Nc2nc(N)nc(NC3CCN(Cc4ccccc4)CC3)n2)c(C)c1 84711232 RSWBMYGTQGWXGC-UHFFFAOYSA-N 417.561 4.199 0 1 HIAF CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(C(C)(C)C)cc12 96908247 MWWIATPRPDJBIZ-UHFFFAOYSA-N 400.567 4.436 0 1 HIAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(C)C)c(OC)c2)cc1OC 96922282 BISYAFMPXNTKQJ-RBUKOAKNSA-N 414.498 4.074 0 1 HIAF O=c1oc2ccc(Cl)cc2n1CCCN1CCN(c2cccc(Cl)c2)CC1 103167094 BFYOIXVTVHSARK-UHFFFAOYSA-N 406.313 4.114 0 1 HIAF CCOc1ccc2c(c1)cc(C(=O)NCCCCCC(=O)Nc1ccccc1N)n2C 117582194 JSVOYDVIRVQOBJ-UHFFFAOYSA-N 422.529 4.088 0 1 HIAF c1ccc2nc(N3CC(c4nccnc4N4CCC[C@@H]4c4nccs4)C3)ccc2c1 144770538 JTLRUYCJJBICJI-LJQANCHMSA-N 414.538 4.427 0 1 HIAF CC[C@H](C)C(=O)N1CCC[C@@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167549003 WEQQVFKYQCOVRV-HTAPYJJXSA-N 422.529 4.045 0 1 HIAF CCOC(=O)C1=C[C@@H](c2ccc(Br)cc2)[C@H]2C(=O)CC(C)(C)CC2=N1 169723788 HOFOTNXVWIWZLG-KBXCAEBGSA-N 404.304 4.440 0 1 HIAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCn3ccc4ncccc43)c2)c1 201556129 MYDITYCIXPTVED-UHFFFAOYSA-N 412.453 4.149 0 1 HIAF CCn1nc2c(c1C)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O 220220879 KBQLHGZSZFKGCG-HXUWFJFHSA-N 420.904 4.274 0 1 HIAF CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Nc4cccc(F)n4)CC3)ccc21 261166931 SBXHAOOYZCFMGG-GASCZTMLSA-N 412.465 4.319 0 1 HIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 586938478 VZNAQHGGFPOUIH-SNVBAGLBSA-N 415.412 4.465 0 1 HIAF CCOC(=O)Cc1ccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2c1 586965915 VWUHGGOWWIHWQJ-UHFFFAOYSA-N 421.526 4.065 0 1 HIAF Cc1cc(Br)ccc1OCc1nc2ccc(OCCN(C)C)cc2[nH]1 586981698 SYGRJYSPPRNFFX-UHFFFAOYSA-N 404.308 4.153 0 1 HIAF N[C@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 586996783 KIHISFBXWJIDSD-GFCCVEGCSA-N 400.198 4.467 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587037875 ZTSYRUGAIDBQGI-CQSZACIVSA-N 421.316 4.420 0 1 HIAF N[C@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1F 587143073 VCJRJGWBBJCUMF-SNVBAGLBSA-N 403.177 4.121 0 1 HIAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(F)c(F)cc2[nH]1)c1ccc(F)cc1 587169399 CNLIMGWITUKZPC-IBGZPJMESA-N 417.412 4.048 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(C(=O)C3CCC3)CC2)[C@@H]1c1ccc(F)cc1 587337844 BQXWZAYLNDZTBK-OAQYLSRUSA-N 409.457 4.052 0 1 HIAF CCOC(=O)C[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359801 ZUJJTJZXANSCEL-FYYLOGMGSA-N 410.397 4.332 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnn(-c3ccccc3)c1)(c1ccccc1O)O2 587392955 YFQPLHFAAMGGSZ-RUZDIDTESA-N 411.461 4.378 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC13CCN(C(=O)OC(C)(C)C)CC3)O2 587402115 YMTJVTFSJCVMBR-HSZRJFAPSA-N 400.519 4.482 0 1 HIAF CCOc1cc(Br)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1O 587410968 APRBFTAMWKYPBX-CWTRNNRKSA-N 405.244 4.051 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OC[C@H]4CO4)cc1)[C@@H](C2)C3=O 587455309 MEYHLNOCWXSEOM-AOJNWGRGSA-N 414.457 4.164 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC(C(=O)O)CC3)cc1)CC2=O 587474331 GKULRKVLZHZCIQ-QFIPXVFZSA-N 409.482 4.352 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 587483782 DOZNXHFPIRUHQN-AQKDONEWSA-N 401.503 4.468 0 1 HIAF CN(C)C(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587505804 LROQUYOHPDCQJG-NRFANRHFSA-N 413.901 4.392 0 1 HIAF COC1=C(Br)[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587542549 HLMNIOXSHHYYIZ-BEFAXECRSA-N 403.228 4.139 0 1 HIAF O=C(COc1ccc(OCc2ccccc2)cc1)n1ncc2ccc(Cl)cc2c1=O 587652302 ORALCVKIHKQDCT-UHFFFAOYSA-N 420.852 4.348 0 1 HIAF CCn1ncc([C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587723395 WOOKUSJVXROATB-VVVCHXIZSA-N 402.258 4.156 0 1 HIAF CO[C@H](C)c1ccc([C@]2(CN)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587751359 YBBHAZGAHXMQOY-RDXCRGQUSA-N 407.327 4.032 0 1 HIAF C=CN1CCCC[C@H]([C@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587769128 XDLXDNSBYBPLDA-PCMMCCAGSA-N 421.354 4.500 0 1 HIAF COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(O)c1OC 587808691 QNSXZPXZOAZAKZ-GIGQVBGESA-N 410.283 4.109 0 1 HIAF COC(=O)c1coc2c1[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587829024 PTMOWHBRVXABHU-OVWNDWIMSA-N 408.267 4.082 0 1 HIAF CCOc1nc2sccn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587858109 XYLVDEWJIJMEMP-XPTSAGLGSA-N 410.312 4.320 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 587872056 IAKLRPSUIZOVET-QGZVFWFLSA-N 407.445 4.090 0 1 HIAF O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O 587940734 LTCNOXASUAUTRE-UHFFFAOYSA-N 416.058 4.313 0 1 HIAF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4NC(C)=O 653745038 QOZCRAVHGATCPT-JSRUGDOASA-N 419.606 4.076 0 1 HIAF COc1ccc(O)cc1[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962628171 ACZRIOFIBNLHIX-LVXARBLLSA-N 400.522 4.411 0 1 HIAF Cc1cc2c(cc1O)[C@@](c1ccsc1)(c1ccc(Cl)cc1F)N[C@H](C(=O)O)C2 963551247 MOVRFYRHKWOSML-GHTZIAJQSA-N 417.889 4.445 0 1 HIAF Clc1ccc(CCNC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772638901 HJSZIUDMNAXXLP-QAQDUYKDSA-N 408.937 4.365 0 1 HIAF COC(=O)[C@]1(C=C[C@H](C)[C@H](OC)c2ccccc2Br)[C@H]2CCCO[C@H]21 1857622796 KAZMGBQDEYZMGJ-DZKZAWRRSA-N 409.320 4.297 0 1 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 769048 XEUFZJJBTZPCKF-RBBKRZOGSA-N 405.885 4.330 0 1 HIAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccc(F)cc1 4049949 TZDIXBZYXUYXRW-ISKFKSNPSA-N 418.468 4.285 0 1 HIAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4050108 NSHPGHUVZPZKIL-STAYPELNSA-N 414.505 4.351 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](C)CN(C)C 4212185 ZDDUUZIKQUZSEB-HSQYWUDLSA-N 403.567 4.166 0 1 HIAF CCC(=O)Nc1ccc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c(C)c1 26825950 MTCFFHOJZFWMPF-UHFFFAOYSA-N 407.558 4.123 0 1 HIAF CN(C)c1ccc(NC(=O)Nc2ccc3c(c2)c(=O)n(C)n3Cc2ccccc2)cc1 61898106 NMLCEHRFZNTDCP-UHFFFAOYSA-N 415.497 4.098 0 3 HIAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Cn1ccc2c(Cl)cccc21 2356536152 POMRNRAFYHJNEI-RXVVDRJESA-N 417.981 4.034 0 1 HIAF COc1ccc(NC(=S)Nc2ccc3c(c2)c(=O)n(C)n3-c2ccccc2)cc1 61895777 OCJOJUYRECVREF-UHFFFAOYSA-N 404.495 4.147 0 3 HIAF COC(=O)[C@H](Sc1ccccc1)c1ccc(OC)c(I)c1 40764198 RVAZICHCLCSBTN-OAHLLOKOSA-N 414.264 4.306 0 1 HIAF COc1ccncc1-c1ccc2[nH]nc(-c3cc(N4CCC(F)(F)CC4)ncn3)c2c1 225559696 FKAKVEBQFNPPRE-UHFFFAOYSA-N 422.439 4.326 0 1 HIAF O=C1NC(=O)[C@H](Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)S1 45388337 NCXQJPOFNFYTTM-LBPRGKRZSA-N 402.781 4.440 0 1 HIAF COc1ccccc1CCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 82133950 WDMFZKRNIJUSEQ-UHFFFAOYSA-N 416.525 4.115 0 1 HIAF COCCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc(C)c1 82145179 MHYNMBDVHFXMSM-UHFFFAOYSA-N 424.932 4.484 0 1 HIAF CN(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCNCC2)n1 95590442 GYCNKTJLOQCTEA-UHFFFAOYSA-N 411.443 4.144 0 1 HIAF Cc1nc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)ccc1F 473160617 YPWLCFQLQUMTCG-UHFFFAOYSA-N 417.423 4.380 0 1 HIAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 299878172 IMFXGXVIAMNINI-SONWIMMPSA-N 414.505 4.333 0 1 HIAF COC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587808801 PHHOVHZMNZNEBI-HUTJROTASA-N 418.306 4.416 0 1 HIAF Nc1cccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1C(=O)O 587248558 UBJNKRPMVREMIY-UHFFFAOYSA-N 411.053 4.035 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cnccc12 587779631 VARXYTZZULDGCC-IPQOISQHSA-N 423.285 4.354 0 1 HIAF CCn1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587711957 YVQSXISYZAKKMA-PSLIRLAXSA-N 406.221 4.145 0 1 HIAF COC(=O)C[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541166 DJSBDQMSKLZEOH-REWPJTCUSA-N 424.836 4.466 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-n1nc(C(=O)OC)cc1C)CC2=O 587475741 OLJQKHILWBYSHM-QFIPXVFZSA-N 420.465 4.332 0 1 HIAF OC1(c2nc3ccc(I)cc3[nH]2)CCC(C(F)(F)F)CC1 587126723 MZVGPFYPERPNAE-UHFFFAOYSA-N 410.177 4.108 0 1 HIAF C[C@@]1(CCCN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587518023 YWKVJVRHKAMYKJ-RUZDIDTESA-N 403.478 4.366 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCCc2ccccc2)N1 587754019 IUUJBFYGPJHYFI-LHSJRXKWSA-N 419.338 4.087 0 1 HIAF Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccccc1 587756859 FYEFAVOYBOTJRS-FKIZINRSSA-N 415.310 4.275 0 1 HIAF CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 587499021 QIJRRCKASAZWHB-NRFANRHFSA-N 412.283 4.165 0 1 HIAF O=C1[C@H](c2ccc(O)cc2)Oc2ccccc2[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963113503 RHXPBTOHAXYVTE-VFHOHQAYSA-N 415.464 4.498 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCCc2nc(-c3cccnc3)sc21 963604650 DQKXFWVXOAJVMH-QKFKETGDSA-N 407.539 4.336 0 1 HIAF CCc1c(-c2ccc(N(C)C)cc2)n(Cc2ccccc2)c(=O)c2c(O)cc(=O)oc12 1772640470 CPZPHIRRMKXCJM-UHFFFAOYSA-N 416.477 4.004 0 1 HIAF O=C(CC[C@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1)NCc1ccccc1F 13659303 OWVXTTOMNOJETN-MRXNPFEDSA-N 404.913 4.493 0 3 HIAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(C4CCOCC4)ccc3C[C@@H]21 168392506 RGNUWCSONAQZKC-YKSBVNFPSA-N 401.510 4.401 0 1 HIAF CO[C@H]1CC=C[C@@H](O)CC(=O)O[C@@H](/C=C(/C)CO)CC=CC=CC[C@H](C)C=C1C 1857757385 XFHTYANURKSTPU-MYHKGXIQSA-N 404.547 4.038 0 1 HIAF FC(F)(F)Oc1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1 117608997 UAFCAYMHZWJZOW-UHFFFAOYSA-N 405.405 4.406 0 1 HIAF CC(=O)N1CCc2c(sc(NC(=O)C3CCC3)c2C(=O)c2ccccc2Cl)C1 13442695 HFRWUAHRQNUCDF-UHFFFAOYSA-N 416.930 4.276 0 1 HIAF COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@]12CCC(=O)[C@H]3/C(=C/c1ccccc1)C2 13524129 RNXZIQREMYDCBE-DNIIXVEZSA-N 415.533 4.352 0 1 HIAF CN(CCC1CCN(C[C@@H]2COc3ccccc3O2)CC1)C(=O)Nc1ccccc1 13813690 NCFQNALJMWRWNO-OAQYLSRUSA-N 409.530 4.092 0 1 HIAF CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1 13835806 KYYKFSMOYWOWFU-RDPSFJRHSA-N 420.544 4.247 0 1 HIAF Nc1ncc(Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c(N)n1 27199547 WMWQXWKFCHELSR-UHFFFAOYSA-N 412.493 4.390 0 1 HIAF COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2OC)cc1 27738038 PSJWUZGLTFXJPG-UXHICEINSA-N 420.962 4.105 0 1 HIAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 28528930 ZHJJMVDZXABUHY-LLVKDONJSA-N 403.269 4.460 0 1 HIAF Cc1ccc(CN(C)CC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1 64528395 PLUVRVQOBSVXAW-UHFFFAOYSA-N 407.892 4.259 0 1 HIAF O=C(NCCc1ccccc1F)[C@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82195673 ZOVAQECVTMHOMJ-HXUWFJFHSA-N 413.493 4.416 0 1 HIAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cc(F)cc(Br)c1)O3 96269840 VRILEAYFMLLRTN-BMLIUANNSA-N 409.207 4.051 0 1 HIAF Cc1cc(C)nc(N2CCC3(CCCC(=O)N3Cc3cccc4[nH]ccc34)CC2)n1 96285056 SIBWUCGEVHSYAT-UHFFFAOYSA-N 403.530 4.126 0 1 HIAF COc1cc([C@@H]2N(C)c3ccccc3C(=O)NN2c2ccccc2)cc(OC)c1OC 103187940 NCOXXVCDUJWMAR-XMMPIXPASA-N 419.481 4.012 0 1 HIAF O=C(c1cccc2nc[nH]c12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 149552413 RGCVWVPTCVUBJN-SFHVURJKSA-N 408.408 4.040 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3(C)C)nn2-c2ccccc2)c1 169707002 FOCBQZLMDAQIHJ-HXUWFJFHSA-N 416.525 4.203 0 1 HIAF Cc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)NC(C)C)cc1 205730320 GXVLEZZXTLMHOF-UHFFFAOYSA-N 415.486 4.268 0 1 HIAF COc1cccc([C@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)c1 206392468 ZQIOXLHZRIHQGJ-HXUWFJFHSA-N 402.479 4.475 0 1 HIAF COc1cccc(-c2cccc([C@]3(C4CC4)N=C(N)N(C4CCCCC4)C3=O)c2)c1 218701145 XHQIVBKVZTWKFJ-VWLOTQADSA-N 403.526 4.457 0 1 HIAF COc1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cc1C 586980382 QTGUIMMRFCIQOJ-UHFFFAOYSA-N 405.248 4.043 0 1 HIAF COC(=O)c1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2n1 587128342 KCZYWYMISWRRJN-YFKPBYRVSA-N 405.739 4.079 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)c4ccc(F)cc4F)[nH]c3c2)cc1 587151588 SUZLVIKQBKJWBO-FQEVSTJZSA-N 409.392 4.468 0 1 HIAF COc1ccc2c(c1)OC(C(F)(F)F)=C[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421514 LIBWCXGHNCSXLA-VLIAUNLRSA-N 404.340 4.185 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cccn3cc(Br)nc13)CC2=O 587459282 NRKZTLWPSJNZDD-INIZCTEOSA-N 401.260 4.461 0 1 HIAF C[C@]1(c2cc(Br)ccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540544 PEZUBLQFGXXXOV-YLJYHZDGSA-N 412.239 4.427 0 1 HIAF C[C@H](NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587569727 GZNUFHGJTUTRFE-PMHROOCVSA-N 417.461 4.380 0 1 HIAF CCC[C@@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570967 JZPMFWREIPLUSV-JPYJTQIMSA-N 413.470 4.417 0 1 HIAF O=c1[nH]ccc2cc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)ccc12 587655966 FGYKIPDQRFFRIE-UHFFFAOYSA-N 401.372 4.172 0 1 HIAF CC(C)Cn1cc([C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587719337 QEBJYEHGQWLJMR-ZMZPIMSZSA-N 416.285 4.484 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(F)cc(Cl)cc12 587738168 KQXBIFXFRMBASX-IWEMQMMOSA-N 413.649 4.111 0 1 HIAF COc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587739939 IRDVNQYQUXFBOQ-BNWQSOIRSA-N 419.338 4.450 0 1 HIAF CCOC(=O)Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587793466 FJMMEMSPDAYVKY-ASSNKEHSSA-N 420.322 4.492 0 1 HIAF CC1=C(OC(=O)C(C)C)[C@@]2(C=CO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587836155 ZDCGPZQWPOBKOO-WLRWDXFRSA-N 410.283 4.292 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1S(C)(=O)=O 587866212 GOCBTRBYLZHGFY-UHFFFAOYSA-N 410.417 4.360 0 1 HIAF Cc1cc(OC(C)(C)C)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O 587945613 NYTYRCUEGVDYPW-UHFFFAOYSA-N 416.478 4.139 0 1 HIAF O=C(O)C1C[C@@H]2CC[C@H](C1)C21c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962648371 XMVQYYODVDFIEH-FHUXWZAISA-N 402.538 4.150 0 1 HIAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCC(F)(F)C2)N1C(=O)c1ccccc1 963414318 KAJWRPLDGOSXCD-PGRDOPGGSA-N 410.420 4.334 0 1 HIAF Fc1ccccc1CCn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1 1857652808 JCPHXPGNGSEBCP-UHFFFAOYSA-N 402.355 4.131 0 1 HIAF CC(C)C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356477579 AJBRSFMZZWORQQ-PJMBVZKBSA-N 418.618 4.119 0 1 HIAF Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)sc(=O)n1Cc1cccc(F)c1 61926857 PLNKSAGEQLSFIP-UHFFFAOYSA-N 424.419 4.354 0 3 HIAF CCOC(=O)Cn1nnc2ccc(Nc3nc4ccccc4nc3-c3ccccc3)cc21 1658656 ZQQKJLQFXWRZOV-UHFFFAOYSA-N 424.464 4.348 0 1 HIAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccnc3)CC2)cc1 13444630 FAZLRTUIRXGMGN-UHFFFAOYSA-N 423.557 4.072 0 1 HIAF COc1ccc(Nc2nc(Nc3ccc(C(=O)O)cc3)ncc2Br)cc1 13560307 YMPWYIHAVYUJEK-UHFFFAOYSA-N 415.247 4.433 0 1 HIAF CC/C=C\CO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13642024 NFJUISWVZRMNFR-VGOKWCNXSA-N 409.305 4.348 0 1 HIAF CC[C@@H]1[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C(=O)C1(C)C 27768227 JWXXDZSKQPBEGO-QBWXLMJASA-N 409.570 4.376 0 1 HIAF CS(=O)(=O)c1ccc(-c2nc(NC[C@H]3CC=CCC3)cc(C(F)(F)F)n2)cc1 29131892 UOXFFAVXHZCBJI-ZDUSSCGKSA-N 411.449 4.334 0 1 HIAF COc1ccc([C@H]2[C@H]3CCc4ccc(OC)cc4C3=NN2C(=O)C(F)(F)F)cc1 40585147 NWCOKPBCOVRMOB-LPHOPBHVSA-N 404.388 4.116 0 1 HIAF C=CC1=C(C(=O)N2CCN(c3ccccc3Cl)CC2)[C@H](c2ccc(OC)cc2)OC1 73223325 OGACMBPLTAURAE-QHCPKHFHSA-N 424.928 4.251 0 1 HIAF CCOC(=O)Nc1cc(N[C@@H](C)CCCN(CC)CC)c2nc(C)c(C)nc2n1 82151893 CUSZZQWSAOXSHQ-AWEZNQCLSA-N 402.543 4.132 0 1 HIAF COc1ccc2nc(/C(=C3/C(=O)Nc4ccc(C(=O)O)cc43)c3ccccc3)[nH]c2c1 84740716 GTHUEDBAWKTNDV-QZQOTICOSA-N 411.417 4.181 0 1 HIAF O=S(=O)(Cc1ccccc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 103282051 JIWAAZYQXYAWTG-UHFFFAOYSA-N 421.562 4.165 0 1 HIAF Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Cl)cn3)[C@@H]2C)c(-c2ncco2)c1 225857484 ONPJSNNLVSNPPJ-WMLDXEAASA-N 411.893 4.199 0 1 HIAF COc1ccc(-c2c(CO)n(Cc3cccc(Br)c3)c3ncccc23)cn1 299819689 DIEBXJLHHFQNFH-UHFFFAOYSA-N 424.298 4.410 0 1 HIAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 299877038 GQNUGIAZZYIEJI-AVCGJXAMSA-N 422.912 4.472 0 1 HIAF CCn1cc(Br)c(Cc2nc3ccc(Br)c(F)c3[nH]2)n1 587000827 RRZJPFISGMVDTJ-UHFFFAOYSA-N 402.065 4.034 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587024944 CXZYWWWORQVKBJ-AGRHKRQWSA-N 421.526 4.281 0 1 HIAF Fc1c(Br)cc2nc(C(F)(Br)Br)[nH]c2c1F 587088017 HWOOQPIWAHCTNP-UHFFFAOYSA-N 422.824 4.473 0 1 HIAF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2cn1 587145045 RVRKDHFIGRHJIB-UHFFFAOYSA-N 405.385 4.224 0 1 HIAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587226533 ZSWQNAROLSNBDI-UHFFFAOYSA-N 406.364 4.080 0 1 HIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc1OC 587340704 UHNULBFBZLKLLC-NZQKXSOJSA-N 409.413 4.218 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN[C@H](C(=O)O)[C@H]32)c1 587363700 SXWKEUQGBZRTTN-OTURYTIQSA-N 414.461 4.359 0 1 HIAF COc1cc2c3c(c1)O[C@@](C(=O)c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587429410 TVMMOBVNMZVFDM-CYFREDJKSA-N 406.384 4.499 0 1 HIAF COc1ccccc1-n1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583043 SYLNQYCEYYFLIX-XUZZJYLKSA-N 414.417 4.289 0 1 HIAF O=C(O)c1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 587586393 BYVVKMYBBNVPRY-UGKGYDQZSA-N 401.374 4.275 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587586999 DUMBQWALFOENNU-XMSQKQJNSA-N 407.422 4.217 0 1 HIAF C[C@]1(c2ncc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614193 ROKMFPRFADRCIF-KSSFIOAISA-N 418.268 4.488 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)OC(C)C)c(=O)c3ccccc23)c(O)c1 587667633 RMFDZRJPOFKZNX-INIZCTEOSA-N 423.513 4.069 0 1 HIAF CC(C)CN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587766103 FGTVHNLIJYGVBL-YEJXKQKISA-N 417.322 4.369 0 1 HIAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3csc4ccccc34)c2)c1 653916417 WDPIYNTVIZDLTN-UHFFFAOYSA-N 403.463 4.227 0 1 HIAF COC(=O)c1ccc2c(c1)CCC[C@]21NC2(CC2)Cc2ccc(Br)cc21 961745962 BZRYHUDTARNFGL-QFIPXVFZSA-N 412.327 4.494 0 1 HIAF COC(=O)c1ccc(NC(=O)C[C@]2(C)c3ccsc3CCN2Cc2ccco2)cc1 962709296 QZKXRPHPWXPGMT-HSZRJFAPSA-N 424.522 4.430 0 1 HIAF CCOc1cccc2[nH]cc([C@@H]3N[C@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)c12 962717979 XZURCOONKSTKKP-QFBILLFUSA-N 422.378 4.413 0 1 HIAF O=C(Cc1ccc(F)cc1)Nc1ccc(CC2=CC(=O)O/C2=C/Br)cc1 1857636303 OKFMWDPARBLPTN-LDADJPATSA-N 416.246 4.269 0 1 HIAF C[C@@H](NC(=O)N(C)S(=O)(=O)c1ccccc1)c1ccccc1OCc1ccccc1 1857644501 YLUIPXLTTMQVAC-GOSISDBHSA-N 424.522 4.357 0 1 HIAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCC(C)(C)CO 4273899 UPSDQAPCJSABDM-RTWAWAEBSA-N 404.551 4.234 0 1 HIAF CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCC3)c2)CC1 12356375 XRXBJPTUUYTFJY-UHFFFAOYSA-N 407.558 4.032 0 1 HIAF O=C1C([C@@H]2C(=O)Nc3cc(Br)ccc32)=Nc2cc(Br)ccc21 13409856 WZQVPPRCYKCSJY-CYBMUJFWSA-N 420.060 4.216 0 1 HIAF biogenic COc1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cccc(C#N)c3)ccc2=O)cc1 25235668 KVLMLLJPIQTAEH-IRLDBZIGSA-N 411.505 4.015 0 1 HIAF biogenic O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 49113486 HGMJSVCIJOCTMZ-UHFFFAOYSA-N 420.435 4.175 0 1 HIAF Cn1c(-c2ccc(C(=O)N3CCC3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71330976 OYMOQCSFDUOSAA-UHFFFAOYSA-N 406.917 4.451 0 1 HIAF CC(C)(C)[C@H](N)COc1cncc(-c2ccc3[nH]cc(-c4ccc(N)nc4F)c3c2)n1 73129820 ROHRRJCWCUZOFC-LJQANCHMSA-N 420.492 4.160 0 1 HIAF CCN(C)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1cccc(C)c1 82147481 MNJMPGSDNRBVJZ-UHFFFAOYSA-N 420.513 4.173 0 1 HIAF Cc1nc(N2CCC(O)CC2)nc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc12 84618677 NOZFWVQYNVZWEO-RUDMXATFSA-N 422.916 4.205 0 1 HIAF Ic1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 96285110 CAFQENPHMGSAHC-UHFFFAOYSA-N 417.294 4.285 0 1 HIAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 116823037 LZTSTMNHWRCGAK-ROUUACIJSA-N 404.539 4.030 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(OCC4CC4)ncc3C)C2)cc1 169709201 VIPGEIVAIVWAHO-HTAPYJJXSA-N 409.530 4.034 0 1 HIAF COc1ccc([C@H]2c3ccc4ccccc4c3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 195147671 XXEYLJLVKQNJRK-BJLQDIEVSA-N 406.532 4.120 0 1 HIAF CC(=O)N1C(=O)SC[C@H]1C(=O)/C=C/C[C@H]1CC[C@H](C)C=CCCC(C)=CC(=O)O1 253664686 FISAKOWYJDPHMO-VKUNQYAISA-N 419.543 4.210 0 1 HIAF O=S(=O)(c1ccc(OC(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 473219268 NCZUKRJLPFYBEV-UHFFFAOYSA-N 413.829 4.166 0 1 HIAF C[C@@H](Sc1ncccn1)c1nc2c(Br)cnc(Br)c2[nH]1 586961367 HTQWPOBEJYPWGS-ZCFIWIBFSA-N 415.114 4.126 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587107364 JDJVFLOUHVLXSX-UHFFFAOYSA-N 411.449 4.251 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCCC1 587226774 SFMSOYRTTYZSAM-HXUWFJFHSA-N 414.550 4.151 0 1 HIAF CN(C)CCOc1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587234831 AHPQDRRJUMPORF-IAGOWNOFSA-N 402.539 4.054 0 1 HIAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 587328611 BAIIZUJMTPVFMG-GMAHTHKFSA-N 408.356 4.234 0 1 HIAF COC(=O)C(=O)[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362667 MAWLQCWDMAAMGZ-QGZVFWFLSA-N 401.418 4.429 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(Cl)cc2)n1 587552396 RBUVUUULJVOWET-UGKGYDQZSA-N 419.824 4.329 0 1 HIAF Cn1nc(C(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587554787 JHYWORCRUXIZAI-GUYCJALGSA-N 406.772 4.420 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2cc(F)ccc2c1=O 587572990 UIKMASFQQOGVRV-AUSIDOKSSA-N 404.349 4.341 0 1 HIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1-n1cncn1 587760723 QDMKXQUEXAAGSO-HXPMCKFVSA-N 401.283 4.101 0 1 HIAF CCCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587793690 KGNUCEAIQIAFSP-PRWKNARSSA-N 403.295 4.271 0 1 HIAF CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587798180 OAEBHCAHWIJUTQ-CNBXIYLPSA-N 418.306 4.101 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)n(C(F)F)n1 587861123 OCPJHFZMGPAEEC-UHFFFAOYSA-N 400.307 4.166 0 1 HIAF C[C@H](c1ccccc1)N1c2cc(-n3c(O)nc4ncccc43)ccc2C(=O)NC1(C)C 653851996 WNYKGJHEQVIFGL-OAHLLOKOSA-N 413.481 4.173 0 1 HIAF in-vitro COc1cc2c(cc1OC1CCCC1)CN(S(=O)(=O)c1ccc(Cl)cc1)CC2 1857761444 CUKTVONIWVOXFX-UHFFFAOYSA-N 421.946 4.417 0 1 HIAF O=C(c1ccccc1C(F)(F)F)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 206055465 VFBCBKJJLHPNNE-NHYWBVRUSA-N 412.770 4.373 0 3 HIAF CC[C@@H](C)C(=O)O[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 104892962 PCZOHLXUXFIOCF-BOZMLOIZSA-N 404.547 4.196 0 1 HIAF Cc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccccc1C(F)(F)F 20582201 BQCVXVLNIZJAJM-UHFFFAOYSA-N 415.331 4.040 0 1 HIAF COc1ccc(CC2CCN(C3CCN(C(=O)Cc4ccccc4C)CC3)CC2)cc1 28331357 OZIPSESMEGJVGY-UHFFFAOYSA-N 420.597 4.492 0 1 HIAF COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(C)nc2)c2ccccc12 103245347 DFJBEQGLNBNKEV-GOTSBHOMSA-N 404.510 4.176 0 1 HIAF COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1 61923759 PHIKEKWKBPYBRF-WXFUMESZSA-N 410.562 4.093 0 3 HIAF O=C(CCCCC(=O)Nc1ccccc1C(=O)O)Nc1ccc(Br)cc1 26577188 ARHUWNLKMRQVGV-UHFFFAOYSA-N 419.275 4.285 0 1 HIAF Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccccc5)[nH]c4C)ccc3[nH]2)n1 115832661 OTCVXOMPERIAJG-UHFFFAOYSA-N 412.453 4.155 0 1 HIAF COc1ccc(CCSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 28862884 BJCVNBSJLXWVKN-UHFFFAOYSA-N 402.466 4.291 0 1 HIAF COc1ccc(-c2sccc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O 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O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CCC1 261141039 NBWWBMWMDFWWPB-XGAFWQRZSA-N 412.574 4.460 0 1 HIAF Nc1nc(N)c2c(n1)N[C@@H](c1sc(Cl)nc1Cl)CC(c1ccc(F)cc1)=N2 299863404 LCKHPCZFKGPUQU-SECBINFHSA-N 424.292 4.221 0 1 HIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc(NC(C)=O)c1)CC2=O 587469976 RIFZPOBIYAXYIN-BYUVYSIJSA-N 408.498 4.239 0 1 HIAF O=S(=O)(Nc1cc(-c2nc3cc(F)cnc3[nH]2)ccc1Cl)c1ccc(F)cc1 587171199 MQTXLMUNGXTRCA-UHFFFAOYSA-N 420.828 4.357 0 1 HIAF COC(=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1OC 587017849 RDGYIOSOSDBWHD-UHFFFAOYSA-N 400.847 4.197 0 1 HIAF Oc1nc(O)c2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2n1 587082503 QHHRKNUTMSLJNG-UHFFFAOYSA-N 405.801 4.005 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)cnc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587240289 SDUYUKBJTFQPOB-JTBRIISXSA-N 424.904 4.305 0 1 HIAF C[C@]1(c2cccc(N3CCCC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597031 UCLHZDWFVOYRTL-WIOPSUGQSA-N 415.445 4.396 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cn3ccnc3)c2)N1 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Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc5nc(C)ccc5c4[nH]3)CC2)cc1 586955462 YSNDXSUWLNCBJA-UHFFFAOYSA-N 420.538 4.296 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587745171 VPCBJLXVONUHGY-BIBXISHDSA-N 419.294 4.107 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(NC(C)=O)c1 587862377 LWYFOFBEJRWUOX-UHFFFAOYSA-N 403.360 4.224 0 1 HIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(C)=O 587590761 DOJNCSLNMIUIIE-QPPBQGQZSA-N 420.417 4.203 0 1 HIAF C[C@@]12CC[C@@]3(C=C1CCCC2=O)c1ccccc1C[C@@]1(C2CCC2)C(=O)NC(=O)N31 962662608 IRJYSRLAOKGYCZ-UBFVSLLYSA-N 404.510 4.008 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(-n4ccc(C(F)(F)F)n4)cc3)c3cccc1c32 963015739 AHFAMYTVJBHNRG-SZNDQCEHSA-N 412.415 4.034 0 1 HIAF C[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1O)[C@@H](C(N)=O)c1ccccc1 1772608207 URBCNRMQNVVHHJ-QVKFZJNVSA-N 408.885 4.476 0 1 HIAF O=C(O)[C@@H]1CCCN(CCOCC=C(c2ccc(F)cc2)c2ccc(F)cc2)C1 13801379 RMSAHBFSIQZSMH-LJQANCHMSA-N 401.453 4.210 0 1 HIAF O[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@@H]1n1cc(C2CC2)nn1 169358314 YZURTNKNJIUDGQ-PCCBWWKXSA-N 414.962 4.420 0 1 HIAF CCO[C@@H]1C[C@H](CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2)N(C)C1 1857586286 JJRCJHDDDMVMGM-VQTJNVASSA-N 403.517 4.077 0 1 HIAF O=C(N[C@H]1CC[C@@H]([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1)c1ccccc1 1857596274 GGPLEOHHSWNDKN-XWPSFPKYSA-N 401.510 4.193 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCC(C)(C)CO 4216590 AQOPPAKGGUJWQL-SFTDATJTSA-N 404.551 4.234 0 1 HIAF O=C1NC(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 13680107 OGAIUTUFCWEMLV-CYBMUJFWSA-N 410.065 4.009 0 1 HIAF N[C@H](COc1cncc(-c2ccc3c(=O)[nH]ccc3c2)c1)Cc1c[nH]c2ccccc12 14962555 LNNKVVBFVNQCFM-FQEVSTJZSA-N 410.477 4.020 0 1 HIAF S=C1NC(=S)C(CSCc2ccccc2)(CSCc2ccccc2)N1 27103403 LSVVTJTZYRGALO-UHFFFAOYSA-N 404.651 4.397 0 1 HIAF O=c1ccc(-c2ccccc2)nn1CCCCNC(=S)Nc1ccc(Cl)cc1 27214001 WRNTVGGTWAAWKJ-UHFFFAOYSA-N 412.946 4.331 0 1 HIAF C[C@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@H]2N(C)C1 29483821 UDRQASHQXVJFFN-NOECGLLESA-N 410.558 4.029 0 1 HIAF O=S(=O)(NCCCCNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1 35190798 OZNHTPQYVWGBBW-UHFFFAOYSA-N 407.898 4.198 0 1 HIAF CCOC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 58555638 FRGNNZYHLRTEQP-LRSLUSHPSA-N 415.480 4.485 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ncc(OC4CCC4)cc3F)C2)cc1 169709187 YZDMPVLIBXUJNE-YWZLYKJASA-N 413.493 4.007 0 1 HIAF Cc1noc(C)c1[C@@H]1C[C@@H](c2cc(-c3cncnc3)c(F)cc2F)N=C(N)S1 220135806 ZNDAYQFTAYAHER-IRXDYDNUSA-N 401.442 4.261 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccccc3C(=O)O)nc2c1 586882576 YOVQCXNDFAWNDC-BQYQJAHWSA-N 415.243 4.371 0 1 HIAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 586922887 UXDRRZPUWKHVPJ-UHFFFAOYSA-N 401.232 4.064 0 1 HIAF O=S(=O)(Cc1nc2ccc3ncccc3c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950160 AWJBHPBVPIKEDH-UHFFFAOYSA-N 421.526 4.043 0 1 HIAF COC(=O)[C@@H]1c2ccc(OC)nc2Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107267 QMDYDNMQESLTNM-HSZRJFAPSA-N 422.440 4.059 0 1 HIAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OC)ncc4[nH]3)nc2n1 587115299 RVKOITMLSZMKSC-UHFFFAOYSA-N 422.436 4.432 0 1 HIAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4nc(Cl)c[nH]c-4n3)n2n1 587119871 JXXJSDVFFMEBFQ-UHFFFAOYSA-N 415.766 4.353 0 1 HIAF C[C@@]1(c2cc3c(cc2N)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330425 BMVDVTHVUWYJFW-VWNXMTODSA-N 421.424 4.159 0 1 HIAF COC(=O)C[C@]1(C2CC(F)(F)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334540 OZWJGLBZQASZIR-DENIHFKCSA-N 420.383 4.237 0 1 HIAF C[C@]1(CC(=O)NCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339635 SGBIHERPYKBFCO-ILBGXUMGSA-N 419.452 4.355 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccncn2)[C@@H]1c1ccc(F)cc1 587345950 KPXBWGATCQTWNB-ISKFKSNPSA-N 413.408 4.019 0 1 HIAF C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5cc6c(O)nc(O)nc6nc5CC[C@]4(C)[C@H]3CC[C@@]21C 587561050 MPCWWIHRZOPWRG-PNPBWEPKSA-N 423.557 4.459 0 1 HIAF COc1cccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587569180 FSSFHDJKEAOEAX-KJHJYUCVSA-N 417.461 4.333 0 1 HIAF COC(=O)c1ccc(F)c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587655717 PKJMRDMCFFVWOF-UHFFFAOYSA-N 410.351 4.257 0 1 HIAF CC(=O)Nc1cccc2c1[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587745935 XRIGJAQMYUCGJW-PRWKNARSSA-N 403.295 4.271 0 1 HIAF COc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587756992 UAIRPROQFFZPHC-YUNKPMOVSA-N 416.294 4.406 0 1 HIAF COC(=O)c1ccc(OC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587811343 ZDZCJFJLBMIBGY-MGNBDDOMSA-N 408.267 4.007 0 1 HIAF COc1ccc(-c2ccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c(O)c2)cc1OC 587925552 BBWCFDGYTFTOIN-UHFFFAOYSA-N 417.465 4.322 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc(O)c3ccccc23)N1 962709493 QUBVATNZMALESU-HKUYNNGSSA-N 405.347 4.392 0 1 HIAF COc1ccc2c(c1)O[C@H](c1ccccc1)C[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962894163 HZBLBNPVANEZEX-UMXIMWEHSA-N 419.452 4.201 0 1 HIAF CCOc1ccccc1[C@]1(CCCCC(=O)O)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963019678 IEMDQFMMMIAREB-GKVSMKOHSA-N 422.525 4.027 0 1 HIAF Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1 1772609666 ZGRDQSSNSDLZLJ-UHFFFAOYSA-N 405.462 4.484 0 1 HIAF Cc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2cnn(C)c2)cn1C(C)C 1772645047 ZGAFXMIKUHIQJH-UHFFFAOYSA-N 414.456 4.006 0 1 HIAF CS(=O)(=O)c1n[nH]c(-c2cccc(-c3cnc(-c4ccccc4Cl)s3)c2)n1 1857637967 LNUYQJYPNSEVAS-UHFFFAOYSA-N 416.915 4.319 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 1857772366 NVZCYLCFNPOIAR-UHFFFAOYSA-N 421.396 4.496 0 1 HIAF CC(=O)O[C@@H]1C=C(C)[C@H](O)CC=C(C)C[C@H](OC(=O)c2ccccc2)[C@H]1C(C)C 2356407023 NJSSIGJNKWSAJR-KAOXLYBCSA-N 400.515 4.463 0 1 HIAF CC=CC=Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@@]3(C)[C@@H]1C2 2356636851 XXHQUPUACYOBLJ-IODBPXAYSA-N 412.526 4.459 0 1 HIAF O=C(c1cc(COc2c(F)cccc2F)on1)N1CC[C@H](c2ccccc2F)C1 12438764 QGFZLRJIWIUDIW-ZDUSSCGKSA-N 402.372 4.301 0 3 HIAF Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2F)cc1 3031391 MQQWSIWVWGBGST-UHFFFAOYSA-N 424.497 4.133 0 1 HIAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4052585 TWVOIYWZHGWKKM-GMAHTHKFSA-N 402.494 4.066 0 1 HIAF CCN1c2ncc(CCc3cccc(N)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 5841360 XTZOFNNUVVUZHO-UHFFFAOYSA-N 407.905 4.245 0 1 HIAF O=C1Nc2ccccc2CCN1CCC1CCN(C[C@H]2COc3ccccc3O2)CC1 12356415 AVPPBLUOVDZTAO-NRFANRHFSA-N 421.541 4.019 0 1 HIAF CC(=O)OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 28528668 PJUYFSRWEFJRNZ-UHFFFAOYSA-N 412.574 4.290 0 1 HIAF COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1cccc(C(F)(F)F)c1 64447860 IWEMVNOPLKVTKW-FBMGVBCBSA-N 420.339 4.124 0 1 HIAF CC(C)N1CNc2c(Nc3ccc(Cl)cc3)nc(N3CCCC[C@@H]3CCO)nc21 70719312 OAUSTSIVSAKUSN-QGZVFWFLSA-N 416.957 4.213 0 1 HIAF Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2cnccc21 73224508 UVPXKUCCPFYUHG-UHFFFAOYSA-N 424.382 4.267 0 1 HIAF O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(F)cc1 95893581 XGQZPVUIFXVPMI-SMIHKQSGSA-N 417.484 4.207 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cccc(-c3cnco3)c2)C1 96272129 LAKLCGNXYNXBFW-QGZVFWFLSA-N 409.873 4.486 0 1 HIAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2C[C@H]3CCC[C@H](C2)C3)c1=O 100617115 WKPMMJFYKKQWLO-KVIJGQROSA-N 421.541 4.231 0 1 HIAF CC1(C)CCN(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)C(=O)c2cnn(C3CCCCC3)c21 101668487 HKFKIRVNMWCAKD-QLGLJSNNSA-N 411.590 4.451 0 1 HIAF Cc1cccc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@H]3C)n1 222032223 VHSNSHISDWBRJP-LBPRGKRZSA-N 402.285 4.037 0 1 HIAF CN=c1nc(OCCCN(C)C)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 473087989 NBPKVYUAYQQGAJ-UHFFFAOYSA-N 410.465 4.171 0 1 HIAF Cc1ccc(-c2ncccc2C)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1 473162841 QRUHHPPNCJHLTN-DYXWJJEUSA-N 414.509 4.228 0 1 HIAF CCOC(=O)Cc1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914576 VGXOHFHYZOCMCP-UHFFFAOYSA-N 416.433 4.437 0 1 HIAF NS(=O)(=O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587039030 AHAXPFTUIUJFDG-UHFFFAOYSA-N 422.535 4.056 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c(F)c2)c1 587147760 ZKPWURIJTAMWEP-FQEVSTJZSA-N 420.400 4.467 0 1 HIAF Fc1ccc(I)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587182848 PHKXFVUCCIWZGT-UHFFFAOYSA-N 407.108 4.387 0 1 HIAF Oc1nc2cc3nc(-c4cc(I)ccc4Cl)[nH]c3cc2[nH]1 587182952 QVHHAVWQJGJGJN-UHFFFAOYSA-N 410.602 4.070 0 1 HIAF N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 587185173 YLLYJBXKGODGLB-LBPRGKRZSA-N 415.637 4.203 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)C[C@H]1CCCO1 587197190 KZUNIFDRHSWQSS-SNVBAGLBSA-N 401.841 4.411 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@@H]1CCCO1)O2 587370057 AVAPEZZVBMBLNS-ICSRJNTNSA-N 402.288 4.379 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](c2nc[nH]n2)(c2cccs2)[C@@H]1c1ccc(F)cc1 587371698 CVAOVRJNKZXNHL-NQIIRXRSSA-N 407.426 4.014 0 1 HIAF COC(=O)c1cc(Br)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1 587505588 VBWBODAHLCGFQZ-FQEVSTJZSA-N 418.287 4.323 0 1 HIAF O=N[C@@H]1CCn2c(O)nc3cccc(c32)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521203 ANOZTMBXBZGVPT-AUSIDOKSSA-N 403.438 4.020 0 1 HIAF Nc1cccc([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575789 DJQGKZYAQCAHCX-WIOPSUGQSA-N 410.429 4.275 0 1 HIAF CCOC(=O)[C@H](C1CCCC1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598338 TXFGIDAXDQRUOA-SKPFHBQLSA-N 410.466 4.482 0 1 HIAF CCOC(=O)Cc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599650 YKNKCEFREZDADL-DHLKQENFSA-N 418.445 4.375 0 1 HIAF COc1ccc(OC)c2c1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602743 YOTNGQVADYBBOF-QPPBQGQZSA-N 404.418 4.213 0 1 HIAF Cc1ccc([C@]2(c3nccn3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587757073 URPDDUBUPDFJCX-QKKBWIMNSA-N 414.322 4.456 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2N2CCOC2=O)N1 587768667 VMCPNUZTMKIXBX-FKIZINRSSA-N 419.294 4.343 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CCN(C(=O)OC(C)(C)C)C2)N1 587773990 LFTVXNMQJYDDTH-BUXKBTBVSA-N 411.315 4.125 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCC(=O)O)c2)N1 587790326 FXFANLRDJDRDAV-YUNKPMOVSA-N 422.294 4.455 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3nc[nH]n3)o2)N1 587843299 IFXSMVUUNCPHJK-VXJOIVPMSA-N 409.284 4.074 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cncc(NC(C)=O)c1 587858357 GHHHSAJLZVKRQS-UHFFFAOYSA-N 419.268 4.298 0 1 HIAF COc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867484 FWZJOOAYHVLZKX-LBPRGKRZSA-N 421.375 4.089 0 1 HIAF COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C3CC3)on2)c2ccccc2)cc1C 653846200 GPGPPZCHWOZQIB-JOCHJYFZSA-N 419.525 4.438 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(C1)c1cccc(F)c1CCN2[C@H]1CCSC1 962701265 JVDZZDXQDRSYFS-ZMPRRUGASA-N 406.567 4.462 0 1 HIAF CC(=CCOc1cc(O)c2ccc(=O)oc2c1)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356436753 YYIUCUSMWAUULF-JOCHJYFZSA-N 416.514 4.462 0 1 HIAF CC1(C)O[C@]2(CC3=CCC[C@]45C[C@]34[C@H](O[C@@H]5c3ccoc3)O2)C[C@H]1[C@H]1C=CC(=O)O1 2356669604 HRRBKEHQHRGAFZ-WXYQIDGXSA-N 410.466 4.187 0 1 HIAF O=C(NCC1CCCCC1)C1(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCNCC1 15924808 QWWQXOSOWSEZBY-FQEVSTJZSA-N 417.981 4.289 0 3 HIAF O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 13820223 FNCKBGUFFRPQSH-WTNAPCKOSA-N 416.974 4.112 0 1 HIAF O=C(N[C@@H](CO)c1ccccc1F)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959249 XUVQHPRTXRLLPM-FQEVSTJZSA-N 424.863 4.328 0 1 HIAF CC(C)NC[C@H](O)COc1ccc2c(=O)c(-c3ccccc3)c(-c3ccco3)oc2c1 27108735 KNIJOTIVOLHASP-SFHVURJKSA-N 419.477 4.458 0 1 HIAF CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2)CC[C@H](N(C)C)C1 60325922 VFIXEEIIZUMLIG-HNNXBMFYSA-N 400.569 4.019 0 1 HIAF Clc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1 64549848 QWRYNIRYBRCZFM-UHFFFAOYSA-N 406.877 4.254 0 1 HIAF CCC[C@@H](C(=O)O)n1nc(Cc2cn(C)c3cccc(C)c23)c2ccccc2c1=O 68198724 CFWPPIWGODXVHI-NRFANRHFSA-N 403.482 4.213 0 1 HIAF C1=C(c2ccccn2)CCCN1c1nnc(N2CCC(N3CCCCC3)CC2)s1 84651865 KGTSVLOKRNDHFU-UHFFFAOYSA-N 410.591 4.029 0 1 HIAF C/C(=C\CC/C(=C/C[C@H]1OC(=O)C=C1CO)CO)CC[C@H]1C(C)(C)CCC[C@]1(C)O 87529321 BYAXMGMKQCMKDN-GBWQJRNESA-N 420.590 4.223 0 1 HIAF in-vitro COc1oc(=O)c2cc(NC(=O)OCC(Cl)(Cl)Cl)ccc2c1Cl 95586359 UYBNBJVJVOJGCT-UHFFFAOYSA-N 401.029 4.374 0 1 HIAF CCN(CC)CCOc1ccc2c(n1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O 114802900 VURIBYKQPQGYMZ-UHFFFAOYSA-N 402.498 4.025 0 1 HIAF CCCS(=O)(=O)Oc1ccc2c(c1)[C@@H](C1(c3cccc(F)c3)CCC1)NCC2 114981578 RFYULKFCKDZSCR-NRFANRHFSA-N 403.519 4.253 0 1 HIAF CN1CC[C@@H](OCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 146496257 KATQWVSENDKVPU-LJQANCHMSA-N 408.571 4.295 0 1 HIAF C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(O)cc4)CC3)[C@@H]2CC1 169354695 BFMMRUIXWOLGNQ-UCHKZTAJSA-N 410.558 4.139 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@@H](c1[nH]c3ccc(Br)cc3c1N=O)C(=O)N2 169722508 KTUYTFLNYYSWEW-HNNXBMFYSA-N 413.231 4.371 0 1 HIAF COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@@H]1CC4)[C@]31CC[C@](OC)(C(C)C)OC1 238782571 NYUJYFZXEOGHOB-SJBIMOBPSA-N 417.590 4.023 0 1 HIAF FC(F)(F)c1ccc(Nc2nc3ccc(N4CCN5CCC[C@H]5C4)cc3[nH]2)nc1 299834522 YOUSNZCJJJTYTP-HNNXBMFYSA-N 402.424 4.005 0 1 HIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2)c1C 586947617 WKBOMBDGRDMVIP-UHFFFAOYSA-N 421.478 4.376 0 1 HIAF Cc1ccc2c(ccc3nc(Cc4csc(NC(=O)c5cccc(O)c5)n4)[nH]c32)n1 587019587 PALHHZOHNSBJPX-UHFFFAOYSA-N 415.478 4.425 0 1 HIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)cc4[nH]3)cc2N1 587127453 XTTIBVSEQCMTKN-KRTXAFLBSA-N 400.202 4.496 0 1 HIAF Cc1cc(Cl)cc2nc([C@H](C)n3ncc(I)c3C)[nH]c12 587182420 ODUWXYSCXLRGHL-VIFPVBQESA-N 400.651 4.244 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(N)cc21 587380546 WDBLQWLTLHJNDE-QHCPKHFHSA-N 404.853 4.266 0 1 HIAF COc1cc2c3c(c1)O[C@]1(c4cc(Br)ccc4OC1(C)C)[C@@H](C2)C3=O 587420078 WGGXBSBEUXURHY-VBKZILBWSA-N 401.256 4.272 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(OC)c(OC)cc4nc1Cl)[C@@H](C2)C3=O 587420605 LGWFZUJLKVBVLB-YEJXKQKISA-N 411.841 4.403 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(CC(C)(OC)OC)c1F)[C@@H](C2)C3=O 587425599 FSCXDKPHUCJTDA-GAJHUEQPSA-N 400.446 4.049 0 1 HIAF C[C@H](NC(=O)OC(C)(C)C)C(=O)CC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508884 FXOSWMYUFGVXJA-HOCLYGCPSA-N 401.503 4.162 0 1 HIAF COC(=O)C[C@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726919 MDMQDFUEYNKYAD-JEOXALJRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)N3CCc4cccc2c43)N1 587790875 JMCWUQCJYABMCG-GTJPDFRWSA-N 415.306 4.049 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587951706 YGJGABDGKIWZMH-UHFFFAOYSA-N 417.575 4.079 0 1 HIAF CCCCC(=O)OCc1ccc([C@@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1 653708510 SXDDEBSPMPOXHW-JOCHJYFZSA-N 405.498 4.149 0 1 HIAF Cc1c(F)ccc2c1[C@H]([C@H]1[C@H]3C=C[C@@H](C3)[C@H]1NC(=O)OCc1ccccc1)NCC2 962089050 FPQOONNKKHYSAB-JVAGSPMVSA-N 406.501 4.438 0 1 HIAF CCCOc1ccc([C@@]2(c3cnccc3C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962909418 MFAWVFWCQSHARX-UKILVPOCSA-N 420.484 4.209 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 962951706 OUKFYTCUFZUHKJ-OWJWWREXSA-N 400.482 4.343 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@](c3ccc(C(C)(C)C)cc3)(C3CCNCC3)c3cccc1c32 963038647 XKIGWXZBLDXKCK-DNOBIOAJSA-N 417.597 4.281 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]31c2ccccc2-c2ccc(C(=O)O)cc21 963059502 RIIOZFAXUFUNGU-AREMUKBSSA-N 408.457 4.360 0 1 HIAF CCN1CCN(c2cc(C)c3cc(NC(=O)c4cc5ccccc5[nH]4)ccc3n2)CC1 1857633351 VHQTZVQBEUYNJS-UHFFFAOYSA-N 413.525 4.419 0 1 HIAF CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2-c2ccccc2Cl)CC1 4101364 UDLRJBDIDPWMTQ-UHFFFAOYSA-N 405.882 4.338 0 3 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(N)c1 3804848 GXYDBTCLBZLDRJ-QKONGSNMSA-N 407.558 4.121 0 1 HIAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4049443 BCIZNGDAPSYZNH-FPOVZHCZSA-N 417.912 4.029 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1O 26957405 BGGSGEZOWWTTGS-DWPRXLCISA-N 408.542 4.244 0 1 HIAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1/C=C/[C@H](O)COc1ccc(F)cc1 33822012 JEUSDRLWFSRHSX-XUEDOEMRSA-N 404.478 4.116 0 1 HIAF in-vitro Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)C1=CC(C)(C)NC1(C)C)c1ccccc1 40641188 YHODCMGZWLUCIO-NRFANRHFSA-N 405.542 4.186 0 1 HIAF COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 40955101 HIASEHRDTBGCHW-HSZRJFAPSA-N 419.521 4.023 0 1 HIAF CN1CCCN(c2ccnc3cc4c(cc23)N(C(=O)c2ccccc2Cl)CC4)CC1 45226549 NWEIMBFCHVOBRS-UHFFFAOYSA-N 420.944 4.233 0 1 HIAF CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C 45316459 RPNCUUWWHDFVDL-FCRRYGJJSA-N 424.553 4.346 0 1 HIAF c1cncc(-c2nc3c(NCc4cccs4)ncnc3n2CCN2CCCCC2)c1 82190236 NHAVOOFPMWZNTC-UHFFFAOYSA-N 419.558 4.048 0 1 HIAF CN(C)c1ccc(-c2nc3c(c(Nc4ccc(CC(=O)O)cc4)n2)SCCC3)cn1 103259159 IZADTQKIASBMJF-UHFFFAOYSA-N 421.526 4.014 0 1 HIAF CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 103296806 KMXYLNLVWRXFBA-INIZCTEOSA-N 405.170 4.446 0 1 HIAF Cn1cnc(S(=O)(=O)N(Cc2ccc(F)c(F)c2)c2cc3ccccc3s2)c1 115232206 OBPVAYSNAYZHQB-UHFFFAOYSA-N 419.478 4.309 0 1 HIAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@@H](c2cccc(Cl)c2)C1 116981256 MJHHVYGUXBJBHB-GDBMZVCRSA-N 411.937 4.439 0 1 HIAF COc1cc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC 169312260 WNLMHFMVSSKCAP-UHFFFAOYSA-N 411.454 4.467 0 1 HIAF CN1C[C@@H](C(=O)OCCO)C[C@@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@@H]21 169313387 KIIBBCNQABCMRJ-ZEYPLWLESA-N 410.558 4.032 0 1 HIAF C[C@H]1Cn2c(nnc2-c2ccncc2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl 219193618 ZKVJGQKRNQLDBN-NSHDSACASA-N 421.810 4.057 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(C(C)(C)SCC(=O)O)[nH]c3c2)cc1 586959954 UENOIFANZQEVNZ-UHFFFAOYSA-N 400.456 4.195 0 1 HIAF COc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1OC 586966900 VGWBCZLCEYYJNR-UHFFFAOYSA-N 421.526 4.390 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c1 586983318 AXODZTPUOSKAII-ZDUSSCGKSA-N 408.683 4.008 0 1 HIAF CCN1C(=O)C[C@@H](c2nc3c(Br)ccnc3[nH]2)[C@@H]1c1ccccc1Cl 587062124 TYPUVCBMKFNUEJ-BZNIZROVSA-N 419.710 4.451 0 1 HIAF Cc1onc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)c1COc1ccccc1Cl 587063741 USAJMDPCWOYLPG-UHFFFAOYSA-N 410.861 4.461 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c(I)cccc13)O2 587387475 SBRGQLFTNBBPEJ-INIZCTEOSA-N 418.234 4.370 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccccc4C(=O)O)c1)[C@@H](C2)C3=O 587440746 ARGOYZCRYXXOBQ-RDPSFJRHSA-N 416.429 4.461 0 1 HIAF Cc1nn(-c2ccccc2)c(N)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753258 ATSIIMPOQCZNEK-WYRIXSBYSA-N 415.310 4.288 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cnn(C)c2)N1 587767317 YCSYUJPANDZLST-RNODOKPDSA-N 400.295 4.148 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587769007 LXMOAHHLTNZHQK-UBHSHLNASA-N 411.315 4.101 0 1 HIAF COC(=O)[C@H](C)[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587811912 XXJVKDIVPGWMKU-HKZYLEAXSA-N 420.322 4.370 0 1 HIAF CC(C)(C)OC(=O)Nc1c(F)cccc1[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962895963 JWGILQCVFRYCBG-YJBOKZPZSA-N 404.413 4.000 0 1 HIAF Cc1nc(Nc2ccc(F)cc2)sc1[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962915281 BLPHVCZSXJSBBN-KKSFZXQISA-N 415.465 4.336 0 1 HIAF CCOc1cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc(Cl)c1OCC 962929770 XIQCLORKMFZZOF-FQEVSTJZSA-N 402.922 4.074 0 1 HIAF CN1C=C(C(=O)O)[C@@]2(NCCc3c(Cl)cc(Cl)cc32)c2cc(F)cc(F)c21 963113087 UXJLKIANEIKFLD-IBGZPJMESA-N 411.235 4.079 0 1 HIAF COc1ccc(-c2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)cc2)nc1 1772656457 BRFNQRRIFQKIQJ-UHFFFAOYSA-N 407.901 4.373 0 1 HIAF CCC[C@H]1c2c(C)nn(-c3ccccc3)c2NC(=O)[C@H]1NC(=O)c1cccc(C)c1 1857589999 ZBQSFFDACOWZOL-FPOVZHCZSA-N 402.498 4.124 0 1 HIAF Cc1ccc(-n2cc(CSC3=N[C@@H](c4ccccc4)CC(=O)N3C)nn2)cc1C 1911576581 ODVLKQYBUFOXJP-HXUWFJFHSA-N 405.527 4.077 0 1 HIAF COC(=O)C=C[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 2356808751 AJOPHDUNANPFKQ-AFAXMTHHSA-N 404.591 4.342 0 1 HIAF COc1cc(O)c([C@@H](CC(=O)N2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1 13661437 MDJOJUOFAZKAPL-FQEVSTJZSA-N 412.530 4.010 0 3 HIAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1OC 775199 DORXOKAHBMWNAE-RDTXWAMCSA-N 412.461 4.293 0 1 HIAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OCC 4041426 SZXKLVMWMRMFHG-GGAORHGYSA-N 409.530 4.159 0 1 HIAF CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@](C)(O)[C@H]2COc1ccc2ccc(=O)oc2c1 5425854 WNANPKYNOALKIV-YGPPEJNESA-N 400.515 4.136 0 1 HIAF endogenous,in-man COC(=O)C1=CCC[C@H]2[C@@]1(COC(C)=O)CC[C@@H](C)[C@]2(C)CC(=O)c1ccoc1 5839664 RORKGWQNRINLCW-JWDANJKUSA-N 402.487 4.348 0 1 HIAF CCO[n+]1ccccc1Oc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 28118344 WAHPCLQLMAMVBF-UHFFFAOYSA-N 414.489 4.074 0 1 HIAF CCCC[C@](C)(O)[C@@H]1C[C@@]23C=C[C@]1(C)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 40741613 AWJZAGZCZVPFAX-RSTQGYKPSA-N 409.570 4.175 0 1 HIAF CCCCNc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccccc2F)n1 82152875 OTSQTXMAUZMJOQ-UHFFFAOYSA-N 422.504 4.476 0 1 HIAF O=C(NCc1cccc(Cn2cccc2C(=O)O)c1)NC12CC3CC(CC(C3)C1)C2 95573948 OBPZBNPYBCEMEE-UHFFFAOYSA-N 407.514 4.003 0 1 HIAF CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@@H]12 169307585 LAAZEJPVRHNOIV-LXDRIQHSSA-N 417.962 4.155 0 1 HIAF CCCCNc1c(-c2cccc(OCCO)c2)nc2ccc(Br)cn12 169326568 UZNNQNGQMHGOHQ-UHFFFAOYSA-N 404.308 4.347 0 1 HIAF CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc2c(c1)CCCN2C 169688519 YLOVZYPOHQLBAH-PKTZIBPZSA-N 408.542 4.450 0 1 HIAF CCCCn1c(O)c2n(c1=O)[C@@H](c1ccc(OC)cc1)c1[nH]c3ccccc3c1C2 169717783 GKNMKFGNESPSPX-QFIPXVFZSA-N 403.482 4.187 0 1 HIAF C[C@@]1(C(=O)NCc2ccc(Cl)cc2)CCN1C(=O)Cc1csc2ccccc12 204876373 ACRYAMZGHWMSRM-QFIPXVFZSA-N 412.942 4.405 0 1 HIAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](C1CCCCC1)(N1CCC(O)CC1)C(=O)N2 219361749 UPQOINWYCSHOAS-XMMPIXPASA-N 409.530 4.143 0 1 HIAF O=C(O)c1ccccc1/C=C\c1nc2c(Br)cnc(Br)c2[nH]1 586882600 ZNGFKIHBQYKVOY-WAYWQWQTSA-N 423.064 4.352 0 1 HIAF CC(C)(SCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)O 586959409 NYTYIWYUPQFGGF-UHFFFAOYSA-N 413.215 4.320 0 1 HIAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccccc3[nH]2)C[C@@H](C)O1 586969362 WRPLTFZZZGHWBJ-GASCZTMLSA-N 405.527 4.412 0 1 HIAF CCOC(=O)Cc1ccc2nc(COc3ccc(Br)cc3C)[nH]c2c1 586981302 OMCNNFCYCOFQGO-UHFFFAOYSA-N 403.276 4.318 0 1 HIAF Clc1cnc(Br)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)n1 587005798 TVTLUIMILADWDJ-UHFFFAOYSA-N 423.883 4.247 0 1 HIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cs1 587019648 RZWAVXLXOQDWEB-UHFFFAOYSA-N 411.418 4.092 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(CCO)cc3[nH]1)N2 587032882 VDGHNTITTNXABY-RGZVIEDOSA-N 414.556 4.225 0 1 HIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(Br)c4[nH]3)cc2N1 587127340 XJCFFZSJLWLGMR-HQJQHLMTSA-N 400.202 4.496 0 1 HIAF O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)ncc2[nH]1)c1ccccc1 587219684 PRASGCASAUOXCP-SFHVURJKSA-N 407.271 4.240 0 1 HIAF O=C1C[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CO1 587361191 XXWUIRWDXFEYGS-YRSQORNKSA-N 418.420 4.349 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C(Br)=COc4ccc(F)cc41)[C@@H](C2)C3=O 587430150 YTJVEWATPFJGSX-ORAYPTAESA-N 403.203 4.106 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1cccc(Br)c1)CC2=O 587457993 OZSNODVXQQBHAA-FQEVSTJZSA-N 419.271 4.141 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CC2=O 587487819 OGIKRBIWTZGFFA-DJKDLEHESA-N 401.503 4.326 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593123 CKDGLPMFEPITSO-BWKNWUBXSA-N 418.445 4.429 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(CN=O)=COc1ccccc12 587739002 FLOWYURYTPSYKJ-WLRWDXFRSA-N 403.251 4.409 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(c3ccccc3)C(=O)C2)N1 587771803 XTXJNESQJZSNKT-XCLFUZPHSA-N 403.295 4.145 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC3CCOCC3)nc2)N1 587772099 NMGLFRODVSTEFV-ODXCJYRJSA-N 421.310 4.165 0 1 HIAF CCOC(=O)/C=C/[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587792324 BPNZHAKYRNRUAK-NXVOGEQNSA-N 418.306 4.485 0 1 HIAF Cc1[nH]c([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)cc1C(=O)O 961749225 MLGDXBCPBGPECK-FQEVSTJZSA-N 411.502 4.262 0 1 HIAF Cc1nc(C2CC2)sc1[C@]1(C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962623048 BEUWVLNBVUADRP-KPZWWZAWSA-N 412.433 4.090 0 1 HIAF CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@]12c1ccsc1CCN2C(N)=O 962703693 FFSPDYJVUIBVHS-JIGPKXGUSA-N 419.591 4.470 0 1 HIAF COc1ccc2c(c1)O[C@H](c1ccccc1)C[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962894159 HZBLBNPVANEZEX-RSEQLOHWSA-N 419.452 4.201 0 1 HIAF CC(=O)C[C@@]1(c2ccsc2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184084 PXPBZQMOOYELGH-WBVHZDCISA-N 417.836 4.242 0 1 HIAF CCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(=O)O)c(OC)c1)c1ccc(F)c2ccccc12 1857574456 WZZGQVYQQSYOEW-IRXDYDNUSA-N 408.429 4.444 0 1 HIAF c1cc(N=c2[nH]c3ccccc3[nH]2)cc([C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1 1857595521 AKUZVTJTTLCFAD-QGZVFWFLSA-N 409.497 4.384 0 1 HIAF COc1cc(NCc2ccc3oc(=O)c(-c4ccccc4)nc3c2)cc(OC)c1OC 1639098 KCTCDGFLSGVBQO-UHFFFAOYSA-N 418.449 4.493 0 1 HIAF O=c1c2ncn([C@H]3CCCCO3)c2n(-c2ccccc2)c(=S)n1-c1ccccc1 1648104 MKWJBHBVTAYNSD-GOSISDBHSA-N 404.495 4.406 0 1 HIAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CCC3)CC2)cc1 13444647 HZCFDQSTHWNXEC-UHFFFAOYSA-N 400.563 4.163 0 1 HIAF O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 13734741 LRESLIPVFHTRCL-UHFFFAOYSA-N 415.990 4.247 0 1 HIAF CCc1cc(Cl)c(OC)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1O 13820630 KNDROBMWIFWNJI-UHFFFAOYSA-N 402.922 4.011 0 1 HIAF CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCCN(CCO)CCO)c1ccc(O)cc1 29333330 VDBSCXIZRNHFFZ-RPBOFIJWSA-N 415.574 4.006 0 1 HIAF CC(C)(C)c1ccc(CNC(=O)/C=C/c2ccc(CNC3CCNCC3)cc2)cc1 45227183 SYRGUJBWNYHJDM-JLHYYAGUSA-N 405.586 4.155 0 1 HIAF Fc1cc(F)cc(Cn2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1 45357149 BKXBJRBGRSFVLX-UHFFFAOYSA-N 421.451 4.338 0 1 HIAF O=S1(=O)N(Cc2ccc(F)cc2)CCN1Cc1cccc(Oc2ccccc2)c1 72127917 RECTVKSGFMZYKO-UHFFFAOYSA-N 412.486 4.181 0 1 HIAF Cc1ccc(CNc2ncnc3c2nc(-c2cccc(O)c2)n3C[C@@H]2CCCO2)cc1 82179118 VSSTUIDQCIGGJV-FQEVSTJZSA-N 415.497 4.298 0 1 HIAF COc1cccc(CN(CCN2CCCC2)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1 95590766 FXVIJUPKVPPUNX-UHFFFAOYSA-N 419.529 4.215 0 1 HIAF CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc2cc(Oc3nc4ncccc4s3)ccc2o1 95598235 OEYRSZKDMZCBAE-HOTGVXAUSA-N 420.494 4.035 0 1 HIAF CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2F)nc2nc(N)sc12 95604738 PQYZCJMYDYNLKP-NWDGAFQWSA-N 421.567 4.480 0 1 HIAF NC[C@H]1CC[C@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnn32)CC1 100619059 YTCDDUDCMFELKG-MAEOIBBWSA-N 414.513 4.398 0 1 HIAF CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 102330646 KNAOHFQHRNIUOB-NRFANRHFSA-N 403.438 4.257 0 1 HIAF COc1cc(Br)ccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1 103237060 AFYIKLPMOLPVKR-UHFFFAOYSA-N 414.303 4.468 0 1 HIAF O=C1/C(=C/N2CCCCC2)N=C2CN=C(c3ccccc3)c3cc(Cl)ccc3N12 169319684 LXQMYMSKINHVGC-CYVLTUHYSA-N 404.901 4.263 0 1 HIAF O=C(OCCF)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@H]2CC[C@H]1N2CCCF 195096024 XXLBWUCJODELRH-TVFCKZIOSA-N 416.306 4.258 0 1 HIAF COCc1nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)c(Cl)[nH]1 220790997 JDLWIQJRBDESGA-UHFFFAOYSA-N 420.900 4.296 0 1 HIAF Cc1cc(C)cc(S(=O)(=O)c2n[nH]c3ccc(C(=O)Nc4ccccc4)cc23)c1 299859651 YEVDWRJNLWOYSN-UHFFFAOYSA-N 405.479 4.265 0 1 HIAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587071425 MWHNQWUPTXJOPC-UHFFFAOYSA-N 413.886 4.110 0 1 HIAF CCOC(=O)C[C@H](C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097959 PNWJHMDICJEYPM-IBGZPJMESA-N 417.461 4.355 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)ncc(C)c2[nH]1 587179946 BATGKVFFKXPYMW-QMMMGPOBSA-N 415.666 4.359 0 1 HIAF CC(=O)N[C@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(C)cc1 587207830 XDVAJXKGJQFCCX-CYBMUJFWSA-N 407.699 4.102 0 1 HIAF CCOC(=O)C[C@]1(c2ccc3c(c2)CCCC3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444506 ZSXJQGURENYJSP-CJFMBICVSA-N 406.478 4.170 0 1 HIAF Cn1nc(C(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587554782 JHYWORCRUXIZAI-CXAGYDPISA-N 406.772 4.420 0 1 HIAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)nn1C 587720333 MRWNLDXTUIOJBH-UOWDBTKRSA-N 406.221 4.273 0 1 HIAF COc1nc(N2CCCC2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587766602 OGXDVLZXROFFRK-BUXKBTBVSA-N 420.326 4.216 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3n(C)c2=O)N1 587772773 WMVWDZSKDXABHX-JEOXALJRSA-N 401.279 4.064 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587795375 IQDUHXRKGFWJCS-XCLFUZPHSA-N 406.295 4.319 0 1 HIAF CCOC(=O)/C=C/[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796489 KQYYHKMHQIGJFW-IFGUIADFSA-N 418.306 4.485 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(Cl)s2)N1 587848978 QLFGPQQDZPEBMS-KWKYVRJSSA-N 404.688 4.166 0 1 HIAF CC(C)(C)OC(=O)N[C@H]([C@@H]1CCCOC1)[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963107145 WTXZAASXQPGUNY-SKBHOOIQSA-N 404.526 4.207 0 1 HIAF COc1cc2oc(-c3ccc(NC(=O)c4ccccc4)cc3)cc(=O)c2c(O)c1OC 1857573809 FASCWUMCOBPPLI-UHFFFAOYSA-N 417.417 4.435 0 1 HIAF CCCC(=O)O[C@]1(C)CC[C@H](O)[C@](C)(O)C[C@H]2O[C@H]1[C@H]1[C@H]2C(C)=CC[C@@H]1C(C)C 2356609892 AOODOWQDWVZWQC-RQYJLVQOSA-N 408.579 4.006 0 1 HIAF O=C(O)Cc1cccc2c1O[C@@H](c1ccccc1)[C@@](Cl)(C(=O)c1ccccc1)C2=O 1646823 FZHHXKOSWGNPIC-BJKOFHAPSA-N 420.848 4.491 0 1 HIAF COCc1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1 13762110 RTMLEMVGTJEJFC-UHFFFAOYSA-N 410.417 4.108 0 1 HIAF CCN(CC)C(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCc3cccnc3)c(C)c2[C@@H]1O 25204719 FIDZKKFSCPKGJD-NYQDVAGCSA-N 410.558 4.378 0 1 HIAF biogenic CCC(=O)N(c1ccc(Br)c(Br)c1)[C@H]1CCC[C@@H]1N(C)C 28237904 HXEHMPLACPOMPI-GJZGRUSLSA-N 418.173 4.437 0 1 HIAF O=c1cc(-c2ccccc2)oc2c(Br)c(O)c(Br)c(O)c12 29545244 DHEXTYZLLGWEFS-UHFFFAOYSA-N 412.033 4.396 0 1 HIAF CC(C)N(CC[C@](CCN1CC2CCC(CC2)C1)(C(N)=O)c1ccccc1)C(C)C 39254139 JMBZCJXHKKWCIL-JGZAQREWSA-N 413.650 4.431 0 1 HIAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc(CCCN3CCCCC3)cc1)C2 40848281 VYOLQJFUGVWASV-XMMPIXPASA-N 409.526 4.309 0 1 HIAF CCC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 66260205 QDNMAHYHMXHIIS-UHFFFAOYSA-N 402.542 4.256 0 1 HIAF O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(CO)c2)cc1 95576689 YATLVLVIFHKYTC-UHFFFAOYSA-N 411.505 4.428 0 1 HIAF NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2ccc(F)c3ccoc23)CC1 95607271 IVJVVSGUEHDXJN-HSZRJFAPSA-N 420.484 4.464 0 1 HIAF O=C(C1CCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95875770 NPXWAHHKOIONJD-CCDWMCETSA-N 422.544 4.044 0 1 HIAF CN1[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1CCC2(C)C 100521081 AMHPTVWBZSYFSS-OAGGEKHMSA-N 405.585 4.240 0 1 HIAF in-man Cc1ccc(S(=O)(=O)N[C@@H]2CCCCCCCCCCC(=O)NCCC2)cc1 103215457 JAZXESGVMWDPAF-HXUWFJFHSA-N 408.608 4.453 0 1 HIAF CCOc1oc(COc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(Cl)cc1 103234531 NHPSLVUBTKJQQY-UHFFFAOYSA-N 408.788 4.350 0 1 HIAF CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(O)CCCC2=N1 103539706 JTQGNTCGDROJTI-LJQANCHMSA-N 420.431 4.372 0 1 HIAF CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCO[C@@H]2CC(=O)O)cc1C#N 114896233 OFXSCSPYUFTYDL-HSZRJFAPSA-N 420.465 4.425 0 1 HIAF O=C(Nc1cccnc1)Nc1cccc([C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1 169050665 WJIPQBPPPBYQKD-QGZVFWFLSA-N 413.485 4.381 0 1 HIAF Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1C 169293195 AMZDKPJJASZWNB-LVUQWTNXSA-N 412.489 4.113 0 1 HIAF COc1ccccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3nccs3)ccc12 215503222 VXWICGNZDVMGRY-UHFFFAOYSA-N 415.471 4.307 0 1 HIAF O[C@H](COc1cccc(-c2ccc3cnoc3c2)c1)CN1CCc2ccccc2C1 219749089 HVKQCRTUTDCBIU-QHCPKHFHSA-N 400.478 4.293 0 1 HIAF C[C@H](CCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 263614359 HSLYPVWJYLQYET-OUUKCGNVSA-N 402.572 4.404 0 1 HIAF in-vitro C[C@@H]1CN(c2cc(F)cc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473083288 NVEKCDJVMYTAFR-LLVKDONJSA-N 404.804 4.010 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586917777 UZBUPTSXIMLQLB-BMLIUANNSA-N 410.783 4.193 0 1 HIAF COC(=O)c1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586998428 JRXKQKRXWZHOQA-WAYWQWQTSA-N 401.216 4.011 0 1 HIAF CC(C)(C)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2n1 587118105 JZQDEIPFYCMROS-UHFFFAOYSA-N 416.245 4.476 0 1 HIAF COc1cc(N)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 587340816 WWDQEEZDJPKVIL-ZJSXRUAMSA-N 423.440 4.405 0 1 HIAF Cc1ccc2c(c1)OC(=O)C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358795 QKPGXKDADPDAAX-LADGPHEKSA-N 404.393 4.403 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378078 UHSODNFYZCJYKP-NFBKMPQASA-N 421.449 4.460 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@H]1CCCO1)[C@@H](C2)C3=O 587417819 MMRYZZIOGXUOFD-CDXJDZJCSA-N 415.283 4.280 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(C)cc1I)[C@@H](C2)C3=O 587428682 QBPMPKSJXMWHRA-LIRRHRJNSA-N 420.246 4.405 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccc(NC(C)=O)c1)CC2=O 587469981 RIFZPOBIYAXYIN-JHUUHBRDSA-N 408.498 4.239 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(F)c(Br)cc21 587471585 LFHWZYLVHIXUFS-IBGZPJMESA-N 420.234 4.059 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)c(C(=O)OC)c1)CC2=O 587474019 DXSOTBKSBVGNJR-QFIPXVFZSA-N 409.482 4.438 0 1 HIAF CN1CCO[C@@H]([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587498270 DTALPTMHGLAWAN-VWNXMTODSA-N 411.929 4.410 0 1 HIAF COC(=O)[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587503518 ORCDRQDXNNFEGC-OAQYLSRUSA-N 415.283 4.362 0 1 HIAF COc1cc(OC)c2c(c1)OCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608440 KZPLOIPYAGGYLR-XUZZJYLKSA-N 420.417 4.049 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 587701701 CFZYUMFYOYDIBC-PWJLMRLQSA-N 423.717 4.455 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnccn2)(c2ccccc2)N1 587774143 LQPRBVJCKPLHAR-SPLOXXLWSA-N 412.306 4.399 0 1 HIAF COC(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804748 SDHSQAHJUFKRKT-YBTHPKLGSA-N 417.278 4.020 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587844299 LGHKGMZNCUADDQ-NIVTXAMTSA-N 407.308 4.040 0 1 HIAF CCOC(=O)CCCC[C@]1(c2ccc(F)cc2)c2ccsc2CCN1C(N)=O 962715307 RJKWYHWKRUSHDU-NRFANRHFSA-N 404.507 4.191 0 1 HIAF O=C(OCc1ccccc1)N1CC[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 963003958 FBSVRBFEODWMKX-XMMPIXPASA-N 419.550 4.439 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CN(C(=O)c2cccc(-c3ccco3)c2)CCO1 1772627364 KGCHFFSSYQTAAW-FQEVSTJZSA-N 410.857 4.080 0 1 HIAF c1cc(N=c2[nH]c3ccccc3[nH]2)cc([C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1 1857595520 AKUZVTJTTLCFAD-KRWDZBQOSA-N 409.497 4.384 0 1 HIAF O=S(=O)(NCCc1cccc(F)c1)c1cc(-c2cccnc2)cc(C(F)(F)F)c1 1857633980 ZHOXZUVULSGHLN-UHFFFAOYSA-N 424.419 4.428 0 1 HIAF Nc1c2c(nc3ccc(C(F)(F)F)cc13)N1C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]1CC2 1857652200 LHSLAESQIVKBPF-CKJDJMSUSA-N 416.491 4.461 0 1 HIAF COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3ccc(F)cc3OC)cs2)cc1 61905152 MMONYHUKMLLPLE-OAQYLSRUSA-N 400.475 4.366 0 3 HIAF O=C1CSC2=NC3=C(COC/C3=C\c3ccc(F)cc3)[C@@H](c3ccc(F)cc3)N12 1651525 VJVPBUBRMDUAHH-ZVYZCIRASA-N 410.445 4.319 0 1 HIAF COc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)cc1 2724758 ZWYRVOAQOXCUKD-QFIPXVFZSA-N 408.404 4.157 0 1 HIAF 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](C(=O)O)[C@@H]3C(=O)O 5976879 PXYRCOIAFZBLBN-PFRREXLVSA-N 418.530 4.298 0 1 HIAF CCn1cc2c(nc(NC(=O)Nc3ccccc3Cl)n3nc(-c4ccco4)nc23)n1 13472344 HBBCCVGBJNRDQE-UHFFFAOYSA-N 422.836 4.051 0 1 HIAF C[S@](=O)c1c(Br)[nH]c2cc(Br)cc(Br)c12 14769655 SSXBWYWPNBZASD-OAHLLOKOSA-N 415.932 4.193 0 1 HIAF biogenic Cc1cc(C)n(-c2ccc(Sc3cccc(C4(C(N)=O)CCOCC4)c3)cc2)n1 28474719 PKZVVJIZKBXENS-UHFFFAOYSA-N 407.539 4.174 0 1 HIAF COc1ccc2nc([S@](=O)Cc3nc4cc(Cl)ccc4n4cccc34)[nH]c2c1 28638921 DYYMRQHORIQMFZ-NDEPHWFRSA-N 410.886 4.334 0 1 HIAF O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2cn1 40393501 UPKZNVQHJZHSGN-UHFFFAOYSA-N 422.960 4.220 0 1 HIAF in-vitro CN(C)c1ccc(-c2nc(-c3n[nH]c(=S)n3N)cc3c2[nH]c2ccccc23)cc1 40836270 CNMDFCJSCOLBOF-UHFFFAOYSA-N 401.499 4.084 0 1 HIAF Fc1ccc(Cn2c(N3CCC(NCC4CCOCC4)CC3)nc3ccccc32)cc1 43071862 GHZHZIJXYOTTAA-UHFFFAOYSA-N 422.548 4.209 0 1 HIAF CC(C)(C)OC(=O)N1CCN(c2cc(Oc3cccc4ccccc34)ncn2)CC1 82068330 RAZKEHXAKCMIEG-UHFFFAOYSA-N 406.486 4.479 0 1 HIAF Cc1c(S(=O)(=O)Nc2cccc(-c3nnn[nH]3)c2)sc2ccc(C(C)C)cc12 114605305 SXNABZBLGRWPIO-UHFFFAOYSA-N 413.528 4.314 0 1 HIAF CCOC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2C 169367079 FRGNNZYHLRTEQP-CMOCDZPBSA-N 415.480 4.485 0 1 HIAF Cn1cnc2ccc(-c3cccc(OC[C@H](O)CN4CCc5ccccc5C4)c3)cc21 218388336 XOQLCVLZWLEHOX-HSZRJFAPSA-N 413.521 4.038 0 1 HIAF C/C=C/C=C\C[C@@H]1C[C@@H]2C=CC(C)=C[C@H]3C=C[C@@H](O)[C@@H](O)[C@@H]3C(C)=CC=C[C@H]2C(=O)N1 255271460 UIBDXMJAGQYGAG-NKTYMRLJSA-N 421.581 4.172 0 1 HIAF Cc1ccc(F)c(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1 473154325 GHMASSBRZQUWTC-UHFFFAOYSA-N 417.423 4.380 0 1 HIAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(F)c2[nH]1 586956516 MRQHFYVWPJCCTJ-UHFFFAOYSA-N 423.469 4.129 0 1 HIAF Cc1cc(F)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 587170793 SLBFNRCRMNLQOS-IBGZPJMESA-N 413.449 4.217 0 1 HIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)c(O)c1 587241216 XTDWRWLWOZZDAW-UHFFFAOYSA-N 401.422 4.123 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1N1CCCC1)O2 587390837 OIRFJLCRQVRXOD-NRFANRHFSA-N 402.498 4.378 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1nc(N(C)C)n(-c4ccccc4)c1Cl)[C@@H](C2)C3=O 587422954 RSGKUZFVWWNCGB-YWZLYKJASA-N 409.873 4.089 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1sc(N)c3C(=O)OCC)CC2=O 587493738 GLWAVYALBBSJEM-QFIPXVFZSA-N 415.511 4.362 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573753 XFWNDXWRUSWIGF-ZJSXRUAMSA-N 422.408 4.342 0 1 HIAF Cc1nn(C)c(C)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587703800 GYCAZCARUFAXJY-BCTVWOGZSA-N 420.248 4.279 0 1 HIAF CCOCCCN1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)C1 587757687 BCFYIEKYMVBCKC-SXGZJXTBSA-N 413.375 4.086 0 1 HIAF COc1ccc([C@]2(CC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587811076 UXIAFAZZPVIKEZ-YUNKPMOVSA-N 406.295 4.354 0 1 HIAF COc1ccc(NCN2C(=O)c3ccc(NC(=O)Nc4ccccc4)cc3C2=O)cc1 653720683 VIIJGMMTRBMJDR-UHFFFAOYSA-N 416.437 4.005 0 1 HIAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cnc(C3CCCC3)s2)N1 962646067 WBTNGWALFRGKRI-ZBFHGGJFSA-N 412.433 4.388 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCOC(C)=O)c(OC)c2)N1 962962409 VLNMPRNRMOLKOE-GAJHUEQPSA-N 408.498 4.132 0 1 HIAF CCOC(=O)CCC[C@@]1(CC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963205664 XGVHZXPUUNFWKH-CRAIPNDOSA-N 421.843 4.296 0 1 HIAF CCOc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1OC(C)C 963233673 POLXVFAZNUCZCA-OFNKIYASSA-N 406.482 4.109 0 1 HIAF Cc1c(C(=O)Nc2c(C)n(C)n(C(C)C)c2=O)noc1[C@@H]1CCC[C@H](C(C)(C)C)O1 1772582832 IHDWQGDZRHONMF-JKSUJKDBSA-N 418.538 4.281 0 1 HIAF O=C(O)C[C@H]1COc2cc(OCc3cn(-c4c(Cl)cccc4Cl)nn3)ccc21 1857569369 OJEJWGKBZYRATO-NSHDSACASA-N 420.252 4.104 0 1 HIAF CN(C)c1ccc(N2C(=O)CN(Cc3ccc(F)cc3Cl)C2=S)cc1Cl 1857640424 IRZMKZNZFOMVLS-UHFFFAOYSA-N 412.317 4.332 0 1 HIAF CC(C)(C(=O)N1CC[C@@]1(C)C(=O)Nc1ccccc1Br)c1ccccc1 61925903 MTZBECJYQUPFDB-NRFANRHFSA-N 415.331 4.356 0 3 HIAF COc1cccc(N2CCN(CCCC[C@@]34CCCc5cccc(c53)NC4=O)CC2)c1 13473677 RICXTHKKAYORIJ-AREMUKBSSA-N 419.569 4.214 0 1 HIAF C[C@H](N)C(=O)N1CCCC[C@@H]1P(=O)(Oc1ccc(F)cc1)Oc1ccc(F)cc1 13907520 ZBVWLXGRHBKEGG-LIRRHRJNSA-N 424.384 4.302 0 1 HIAF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(SC(F)(F)F)c2)cc1 45194132 YUTOIFCTFXRSRR-ACJLOTCBSA-N 413.461 4.339 0 1 HIAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@H]3NC(=S)NC(=S)[C@@H]32)cc1 64447361 AXYTWSCYIWVQDK-MISYRCLQSA-N 406.532 4.120 0 1 HIAF COc1ccc2c(Nc3ccc(S(N)(=O)=O)cc3)c3c(Cl)coc3nc2c1 72109921 FAAOVEKZKXIFSR-UHFFFAOYSA-N 403.847 4.034 0 1 HIAF CC(=O)NCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2C)n1 82177678 PMKIRBPFEQLABH-UHFFFAOYSA-N 403.511 4.277 0 1 HIAF COc1ccc(/C=C/c2cc(I)c(OC)c(OC)c2)cc1O 84615608 SHUZMTMATJDFEI-SNAWJCMRSA-N 412.223 4.193 0 1 HIAF CC[C@H](CO)Nc1nc(NCc2cccc(C(F)(F)F)c2)c2ncn(C(C)C)c2n1 95562637 QXGDDAJYIXAKAM-OAHLLOKOSA-N 422.455 4.221 0 1 HIAF Cc1ccc(NC(=O)NCc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C 101500527 LPNXPWAKNHEHBK-OYRHEFFESA-N 403.482 4.081 0 1 HIAF Cc1nc(N2CCC(C(=O)N3C[C@H]4CCC[C@H]3C4)CC2)nc2cc3c(cc12)CCC3 102670539 BPUMSZGXYAUHPG-UWJYYQICSA-N 404.558 4.044 0 1 HIAF CC(C)Oc1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@H]4CC(=O)O)cc1C#N 114898574 WBHAZTBAKNZXNJ-NRFANRHFSA-N 419.481 4.067 0 1 HIAF O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1 141438601 PWWFFXGAOVSLKQ-SAABIXHNSA-N 407.445 4.408 0 1 HIAF O=C(O)c1cccc2c1c(C[C@H](O)CO)cn2-c1ccc(Oc2ccc(F)cc2)cc1 145367324 KGMKGDWEIOAUEQ-SFHVURJKSA-N 421.424 4.156 0 1 HIAF COc1ccccc1-c1nc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)ccc1OC 203902394 KIFSEXYRIVFNFU-IBGZPJMESA-N 420.465 4.020 0 1 HIAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](COc3ccc4oc(=O)ccc4c3)[C@@](C)(O)CC[C@@H]12 238776739 BVWJOHUOYZAXKK-MLNGRUJYSA-N 400.515 4.136 0 1 HIAF CC1=CC(=O)O[C@@]1(O)/C=C/[C@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@@]2(C)O1 238782220 JDGXUUFIFAKRTF-ZMFQFBFRSA-N 418.574 4.276 0 1 HIAF O=C(Nc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1Cl)c1ccc[nH]1 299868437 RIPUMCSSFQGIRQ-UHFFFAOYSA-N 414.937 4.011 0 1 HIAF Ic1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587039824 FZKDUWXLYSRMBZ-JKSUJKDBSA-N 421.307 4.114 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587424858 WLVLHVUZYHZHAW-XCWBYQPUSA-N 401.409 4.015 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1cc(I)ccc1F)[C@@H](C2)C3=O 587429295 UBWYRWNDCPGVNR-SCLBCKFNSA-N 424.209 4.102 0 1 HIAF CCCCOC(=O)C1=C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)CC(C)(C)O1 587487027 YKBNQPGYCJPEQX-QHCPKHFHSA-N 402.487 4.475 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccc(F)cc2c1=O 587572231 ULZVIYGXZLJBIV-XXBNENTESA-N 404.349 4.341 0 1 HIAF Cc1[nH]c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1CCC(=O)O 587586763 DHBKTWBVKSWMKF-XXBNENTESA-N 407.422 4.057 0 1 HIAF CCn1ncc(Br)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587676836 GFJBNTZEYSMTSQ-XLKFXECMSA-N 417.120 4.191 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccccc3c2=O)N1 587778895 OPYKZKCHSPWOPY-PRWKNARSSA-N 401.279 4.227 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccccc23)([C@@H](C)O)N1 587802943 OPTKGTHDJXKLES-HTGLOVNISA-N 403.295 4.228 0 1 HIAF COc1ccccc1N1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1 653688949 BQDGJNNXKPPHKX-UHFFFAOYSA-N 416.953 4.073 0 1 HIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cscc2Br)N1 962962824 HSVUDIGVXIQMMD-GWCFXTLKSA-N 408.651 4.131 0 1 HIAF COc1cccc2cc3c(nc12)[C@]1(CCCc2[nH]nc(Nc4ccccc4)c21)NCC3 963058385 OFMIVTPVOHKPEY-RUZDIDTESA-N 411.509 4.436 0 1 HIAF C[C@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)c2c(F)cccc2C[C@H]2CCCN21 963096462 NLRWAWZDUMMQRK-MWTRTKDXSA-N 407.445 4.083 0 1 HIAF C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccco3)NCCc3c(C(=O)O)cccc32)C1 963124489 QZIQLEPJZWXTBT-ZLOXQWCVSA-N 408.523 4.184 0 1 HIAF COc1ccc2c(c1OC)[C@H](c1ccc(C)c(O)c1)N(C(=O)c1ccccc1N)CC2 963132855 AEDVOJCGYSEQJA-QHCPKHFHSA-N 418.493 4.088 0 1 HIAF O=C1Nc2c(F)cccc2[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832087 KTRPCQYMZQHNHB-RUZDIDTESA-N 413.452 4.227 0 1 HIAF Cc1cc2c(-c3cccc(-n4cnc5ccccc5c4=O)c3C)ccc(C(N)=O)c2[nH]1 1857768829 QCHPUFDUGNCATD-UHFFFAOYSA-N 408.461 4.250 0 1 HIAF CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 770617 LTDXYJVQSNEDLG-OAQYLSRUSA-N 412.505 4.221 0 1 HIAF C[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1 3053825 OZAFTJNMOCVEDS-AWEZNQCLSA-N 403.887 4.398 0 1 HIAF COc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2)[C@@H]2C(=O)CCCC2=N3)cc1OC 6498248 MEJJMRUDKSLDOY-SFTDATJTSA-N 402.454 4.007 0 1 HIAF COc1cc(O)c2c3c1-c1c(ccc(O)c1O)[C@@H]1Oc4ccccc4[C@@H](CC2=O)[C@H]31 14617081 ADDWUEDYAWOVOO-ZGVBBSATSA-N 402.402 4.380 0 1 HIAF biogenic CCN(CC)C(=O)c1ccc([C@@H](c2cccc(OC)c2)N2CC(C)(C)NC[C@@H]2C)cc1 22939684 HAILLLUQXQOSOC-CYFREDJKSA-N 423.601 4.339 0 1 HIAF CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cc3ccccc3s2)ccc1=O 25229964 LHKOXJMMACQDBO-ZBFHGGJFSA-N 410.564 4.039 0 1 HIAF biogenic C=CC(=O)Nc1ccc(C(=O)Nc2cccc([C@H](O)c3ccccc3)c2)c(OC)c1 28567929 FSRUYCWCPCDEAQ-HSZRJFAPSA-N 402.450 4.154 0 1 HIAF Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)N1CCCCCC1 29038065 KYFRIZCSHPMESO-PZJWPPBQSA-N 418.603 4.212 0 1 HIAF CNCc1cc(N2CCCS2(=O)=O)ccc1Oc1ccc(Cl)cc1Cl 29129574 YZHPFFVLNPTVQU-UHFFFAOYSA-N 401.315 4.045 0 1 HIAF CC(C(=O)Nc1ccc2c(c1)[C@H](N1CCOCC1)CCC2)(C(F)(F)F)C(F)(F)F 45254105 ILACWWPQONYUHT-OAHLLOKOSA-N 424.385 4.466 0 1 HIAF Nc1ccccc1/C=C/C(=O)NCCCCC1CCN(C(=O)c2ccccc2)CC1 71316679 MOFXQIXTBKZGKT-BUHFOSPRSA-N 405.542 4.121 0 1 HIAF COCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 82133723 WVUPONTYJONDEV-BEKAIBRUSA-N 408.546 4.002 0 1 HIAF O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Br)cc2)cc1 95583370 YGXOEYQPJCYRSZ-UHFFFAOYSA-N 418.312 4.409 0 1 HIAF CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4cc(Cl)cc(Cl)c4)cc32)N=C1N 95603270 ZXOLJYUYPJRDLJ-FQEVSTJZSA-N 404.297 4.204 0 1 HIAF CO[C@]1([C@@H]2CSC(=O)N2C)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 102219847 ZBEGSVSIVKRYDW-ORXKEFIDSA-N 423.575 4.300 0 1 HIAF CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 148775229 QCQZBSOBEKMLKJ-JJGIJDNGSA-N 415.502 4.113 0 1 HIAF Cc1nn(Cc2cccnc2)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2 200988034 VTQVJOGBGHAJPW-UHFFFAOYSA-N 414.440 4.439 0 1 HIAF CC(C)OC(=O)N1CCC2(CC1)CC(CCCOc1ccc(S(C)(=O)=O)cc1)C2 209661822 XRHZAGCRBPJATQ-UHFFFAOYSA-N 423.575 4.286 0 1 HIAF CCn1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@H]2c1ccc(Cl)cc1 220221144 WIFZFGUMQICZOO-IBGZPJMESA-N 420.904 4.274 0 1 HIAF CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(C(=O)OC)cc2)[nH]c2ccccc12 473084254 REBRGAZRMATXNF-UHFFFAOYSA-N 406.482 4.453 0 1 HIAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586939284 SUBYVNVFUZEKDO-HNNXBMFYSA-N 417.840 4.309 0 1 HIAF COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cn1 587072436 WNVUETRZJNCORR-CQSZACIVSA-N 402.882 4.428 0 1 HIAF Cc1cc(Br)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 587085511 XETRHSYTBREQAP-UHFFFAOYSA-N 406.715 4.461 0 1 HIAF COC(=O)c1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2n1 587121842 NFKWTSHDJLJHLR-UHFFFAOYSA-N 402.332 4.167 0 1 HIAF Cc1cnc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2c1 587130308 HMYVMQFZWAQVST-UHFFFAOYSA-N 406.396 4.483 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1cn(C)nc1C)O2 587393235 ZYMFTVVFSJRATK-QFIPXVFZSA-N 413.481 4.178 0 1 HIAF C[C@]1(c2cc(Cl)cnc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551811 KBIWCEUNZSZTTQ-IIBYNOLFSA-N 411.797 4.016 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3n(C)c2=O)N1 587772774 WMVWDZSKDXABHX-NSPYISDASA-N 401.279 4.064 0 1 HIAF Cc1cc2c(cc1C)[C@]1(CC(=O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 587839646 UFLYVVKMTMZSHH-ODXCJYRJSA-N 404.279 4.292 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cc(O)cc(-c4cccc(OC)c4)c3)nc2cc1OC 587933140 KVNHFHUDQFRQNQ-UHFFFAOYSA-N 404.422 4.406 0 1 HIAF NC[C@@]1(c2ccc(Cl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962642241 OIPGDVXVDNGZOW-UKILVPOCSA-N 403.957 4.289 0 1 HIAF COc1cccc2occ([C@@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)c(=O)c12 962700995 JAYRKUTYGAEEFY-FPTDNZKUSA-N 411.498 4.394 0 1 HIAF O=S(=O)(c1cncc2ccccc12)n1cc(C2=CCNCC2)c2cc(Cl)ccc21 1857542532 BUZCVUOSQNPFAP-UHFFFAOYSA-N 423.925 4.457 0 1 HIAF O=C1Nc2ccc(C(=O)c3ccco3)cc2/C1=C/c1ccc(O)c(Br)c1 1857543145 QDIQZBKNINHQDL-ZSOIEALJSA-N 410.223 4.471 0 1 HIAF Cc1c(C)c2ccc(OC[C@@H]3CCCN(Cc4ccc(CO)cc4)C3)cc2oc1=O 1857550995 BXCUGXRKJOGSPH-OAQYLSRUSA-N 407.510 4.193 0 1 HIAF COc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)c2cnccn2)cc1 3615698 QBMNLVLEIRHSLY-JOCHJYFZSA-N 418.497 4.061 0 1 HIAF CC1([C@H](O)/C=C/[C@H]2[C@H](O)C[C@H]3C/C(=C\CCCC(=O)O)C[C@@H]23)Cc2ccccc2C1 26143457 MQWSTBYQAHHSQY-RIFNUUNNSA-N 410.554 4.297 0 1 HIAF COc1ccc(-c2ssc(=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1O 59100762 IOLUCOQZDWQWFY-UHFFFAOYSA-N 406.481 4.244 0 1 HIAF NC(=O)c1c(-c2ccccc2)cc(C(F)(F)F)c2c1N=C(c1ccco1)N1CCN=C21 64437080 CRWNPWBMBMQGOK-UHFFFAOYSA-N 424.382 4.218 0 1 HIAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCCO 64526992 WLPCYHBGURAENO-UHFFFAOYSA-N 414.506 4.204 0 1 HIAF Cc1ccc(CCNc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)cc1 82151697 LLCGCROZOOLSNL-UHFFFAOYSA-N 404.489 4.386 0 1 HIAF COC(=O)[C@@H]1C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C 95556519 AWDBWNSWVGTRMV-WIOPSUGQSA-N 410.473 4.185 0 1 HIAF CC(C)c1cc(=O)n2c3ccccc3n(Cc3cc(=O)oc4ccc(F)cc34)c2n1 96934504 DMBKBGOYSSGPRQ-UHFFFAOYSA-N 403.413 4.066 0 1 HIAF Fc1ccc(CCOc2ccc3nnc(-c4ccc(OC(F)F)cc4)n3n2)cc1F 103302928 POGWIRSWBGSGTG-UHFFFAOYSA-N 418.350 4.292 0 1 HIAF CCNC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1 144053403 PIWBBTDGTNREQE-UHFFFAOYSA-N 409.339 4.223 0 1 HIAF C[C@@H]1CCCC[C@@H]1COc1cc(F)c(C(=O)NS(=O)(=O)C2CC2)cc1C1CC1 207148574 YMIBCYGHRXUZOT-UKRRQHHQSA-N 409.523 4.130 0 1 HIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc2nc(O)n(c12)CC3 586987751 FIFRLUMXFIPKAR-UHFFFAOYSA-N 405.413 4.430 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1cnccn1)(c1ccc(C(F)(F)F)cc1)O2 587382563 QEYWRVUQMSHSAJ-NRFANRHFSA-N 413.399 4.489 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(CCc1c(C)[nH]c4c(C)cccc4c1=O)[C@@H](C2)C3=O 587435096 BUWCREURSSNJJJ-DFBJGRDBSA-N 403.478 4.292 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(Br)c(C)cc21 587457821 NTPROJZMWLVNCL-FQEVSTJZSA-N 416.271 4.228 0 1 HIAF CCOC(=O)/C(=C\N(C)C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514266 WJPOZTIFOFNFKY-CWCGOZQBSA-N 419.521 4.435 0 1 HIAF O=C(O)c1cccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587586554 CQXMSXYKOYIUCR-SIKLNZKXSA-N 401.374 4.275 0 1 HIAF Cc1c(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cnn1C 587622368 LWYKVMWHYHNMEC-UHFFFAOYSA-N 408.206 4.017 0 1 HIAF COc1ccc([C@]2(CCN(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587738738 CJBQBFOAFPLMIJ-SZNDQCEHSA-N 421.354 4.326 0 1 HIAF CO[C@H](C)c1ccc([C@]2(CN)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587744946 DMJRTTBUWPPQDK-RDXCRGQUSA-N 407.327 4.032 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C(c2cccn2C)(c2cccn2C)N1 587757980 WLDPWNXPHKTWOW-ZDUSSCGKSA-N 402.311 4.091 0 1 HIAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O 587807842 NXRYSJGGTUKYCX-GIGQVBGESA-N 408.267 4.146 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NCCc1ccccn1 587865622 DPZBIDJAFZGNQI-UHFFFAOYSA-N 404.392 4.163 0 1 HIAF O=C(Nc1cccc(CN2CCCC2)n1)Nc1cccc2c1[C@H]1CCCCN1C2=O 653739306 ZHGPXTXAVBCOTI-LJQANCHMSA-N 405.502 4.002 0 1 HIAF CC(C)Oc1ccc(Br)cc1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21 962898690 MFEMFQJYQFWJIR-FUHWJXTLSA-N 408.267 4.064 0 1 HIAF Cc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182177 NHLFWOWCOAMHNH-KUHUBIRLSA-N 411.807 4.292 0 1 HIAF Cc1c(OC[C@@]2(C)NCCc3ccc(O)cc32)ccc2c3c(c(=O)oc12)CCCC3 963354380 XDLSEOWROASMAX-RUZDIDTESA-N 405.494 4.126 0 1 HIAF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCC[C@@H](C)C2)cn1 1772637657 SRYFAAODYUIKSL-ACJLOTCBSA-N 407.345 4.295 0 1 HIAF CCCSc1nc(Cl)c2c(n1)N(Cc1ccccc1)[C@H](C(=O)NCC(C)C)N2 1857634716 JEXVCCLLSROSDB-GOSISDBHSA-N 419.982 4.163 0 1 HIAF COc1ccccc1CCn1nnc2c1CCN(c1ccc(C(F)(F)F)cc1)C2 1857772480 CGKURFLUZJZXCB-UHFFFAOYSA-N 402.420 4.111 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@](O)(C(C)C)C=C3[C@@H](OC(C)=O)C[C@H]21 2356515332 KQVWNDSMMYPVJY-UPEGVSDWSA-N 406.563 4.421 0 1 HIAF COc1ccc([C@@H]2C[C@@H](OC(=O)C=Cc3ccc(O)cc3)C[C@@H]3CCCCN32)cc1O 2356638842 SYMZKAVNWGDBHC-BVSLBCMMSA-N 423.509 4.421 0 1 HIAF CC1=C[C@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356873925 YKDOCRYUPUTPTB-HBMCJLEFSA-N 420.561 4.052 0 1 HIAF CC(C)(C)[C@@H]1C=C(C(=O)NCc2ccccc2)O[C@H](OCc2ccc(CO)cc2)C1 13634972 DYTVJFSMBUTIBL-GGAORHGYSA-N 409.526 4.305 0 3 HIAF COCC(=O)N(c1ccc(C(C)(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1cccnc1 95596316 HHTAADAUSUEJGX-OAQYLSRUSA-N 411.546 4.015 0 3 HIAF Cc1ccccc1-c1cccc2c3c([nH]c12)[C@@H]1C[C@H]2[C@@H](C(=O)N1CC3)[C@H](C)ON2C 199737904 KKXISXYHEXXEHO-JNHSIYEJSA-N 401.510 4.223 0 3 HIAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCCc1c(Cl)cccc1Cl 771056 KPUSGQDBNYCENW-NRFANRHFSA-N 421.324 4.492 0 1 HIAF COCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 13586258 LVAJRQDSXRFOTR-UHFFFAOYSA-N 422.525 4.244 0 1 HIAF CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)Cc2ccsc2)C3)cc1 28475362 JBBFQBICOPNJQP-UHFFFAOYSA-N 408.527 4.106 0 1 HIAF COc1ccccc1Nc1ncc(C(=O)NCc2ccccc2)c(C(F)(F)F)n1 28645229 JGYRLGIXABJZGY-UHFFFAOYSA-N 402.376 4.178 0 1 HIAF O=C1c2ccc(-c3cccc(OC(F)(F)F)c3)cc2CCN1CCN1CCCC1 59113341 YFURTEYAEPSLFX-UHFFFAOYSA-N 404.432 4.346 0 1 HIAF C/C(=C\c1ccccc1)CN(CC[C@H]1CCCN1C)C(=O)c1ccc2c(c1)OCCO2 84604729 GTCPVFWDKLPXPL-VEYZUFFBSA-N 420.553 4.488 0 1 HIAF Cc1nc([C@](C)(NC(=O)c2cc(O[C@H](C)C(F)(F)F)c(C3CC3)cn2)C2CC2)no1 149235407 KWDRDSMKCSDYLL-GIGQVBGESA-N 424.423 4.035 0 1 HIAF N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NCCCc3ccccc3)cc1)C2 166603071 XVQSGGYHCZWJMR-UHFFFAOYSA-N 424.504 4.469 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2cc1OC 586914471 QBMZAYIYNMQJHA-UHFFFAOYSA-N 418.405 4.126 0 1 HIAF Cc1ccc(-c2nnc(SCc3nc4cc(C(F)(F)F)cnc4[nH]3)n2C)cc1 586965602 SVTCPCVVBRCRMG-UHFFFAOYSA-N 404.421 4.373 0 1 HIAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccnc(Cl)c3Br)nc1-2 586979126 HKKOKBOBDWZRCK-UHFFFAOYSA-N 412.984 4.455 0 1 HIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cncc(Br)c3[nH]2)cs1 587019440 NBBPVOXGLROHLZ-UHFFFAOYSA-N 410.297 4.115 0 1 HIAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587028561 RVXCAIKLERASLM-UHFFFAOYSA-N 412.418 4.283 0 1 HIAF Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@]21CC(=O)c2cc(C)cc(N)c2O1 587385646 DLVOCQCLCVPQBW-VWLOTQADSA-N 415.493 4.271 0 1 HIAF COc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccccc1)O2 587407096 AHICKJZHVZNAIL-JWQCQUIFSA-N 415.445 4.306 0 1 HIAF CCOC(=O)C(F)(F)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1C 587497074 FJASBYJOQQMILO-QFIPXVFZSA-N 417.452 4.439 0 1 HIAF CC(=O)Nc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576765 IARJQTVUACCDIC-QPPBQGQZSA-N 401.418 4.154 0 1 HIAF O=C(O)CSC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611034 ZBZFSHOJNNNXEB-REWPJTCUSA-N 422.458 4.067 0 1 HIAF CCOC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C(=O)O)cccc12 587637882 AZBLPEPBRWWHFN-ZDUSSCGKSA-N 416.474 4.157 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)c(F)c(O)c(F)c2F)N1 587718861 JXZSUHXATHBVKZ-AANKLQPISA-N 408.164 4.474 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CCNCC2)N1 587795017 NFDHRYNZNZFXJX-LHSJRXKWSA-N 403.339 4.366 0 1 HIAF COc1cccc([C@]2(CC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587805965 GZGJRRKGGPPYQQ-ODXCJYRJSA-N 406.295 4.354 0 1 HIAF COc1ccc2occ([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587836972 CPYYPKRYXPNNLZ-OVWNDWIMSA-N 418.262 4.327 0 1 HIAF COc1cccc(OCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 587862339 KRMQNIHNTLUEIU-UHFFFAOYSA-N 406.360 4.305 0 1 HIAF Cc1cc(C)nc(SCC(=O)Nc2nnc(Cc3cccc4ccccc34)s2)n1 653707744 MGSQXSHQQNDKQT-UHFFFAOYSA-N 421.551 4.420 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cccn1-c1ccc(Br)cc1)NCC2 962927871 FCXKSTVMENGWJK-NRFANRHFSA-N 424.342 4.177 0 1 HIAF Cc1cc2c(cc1O)[C@@](c1ccccc1)(c1cc(F)c(F)c(F)c1)N[C@H](C(=O)O)C2 963468668 IBWTVBSXVSSYBL-WMZHIEFXSA-N 413.395 4.009 0 1 HIAF CCN(Cc1ccc(CNC(=O)c2csc3ncnc(O)c23)cc1)C1CCCCC1 1857534873 VDWQEXVBMIBDPI-UHFFFAOYSA-N 424.570 4.482 0 1 HIAF CN(C)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F 1857638192 VVSYKJPFWGNVEB-UHFFFAOYSA-N 420.172 4.154 0 1 HIAF CN1[C@H](C(=O)NCc2ccccc2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 254046463 QRAQLPHQVSZGDI-AGRHKRQWSA-N 415.324 4.035 0 3 HIAF O=C(c1ccc(-c2ccc3oc(CCN4CC=CCC4)cc3c2)cc1)N1CCOCC1 13589393 LPLQDVMVHQTAGL-UHFFFAOYSA-N 416.521 4.377 0 1 HIAF CCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)Cc1ccccc1 13644344 LYRPEEGFRXLGPT-UHFFFAOYSA-N 416.569 4.211 0 1 HIAF COc1ccccc1CN(C)C(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C 13742624 UWXIKPYBYHAWLS-UHFFFAOYSA-N 412.489 4.486 0 1 HIAF Cc1cccc(OC[C@H]2CN(c3ccc(-n4cc5cccnc5c4)c(F)c3)C(=O)O2)n1 40764252 PJAQFMAZTHNHLC-GOSISDBHSA-N 418.428 4.272 0 1 HIAF COCCn1cc(C(=O)O)c(=O)c2cc(Cc3ccc(Cl)cc3Cl)ccc21 40974363 OUAOSWSHPRTXSJ-UHFFFAOYSA-N 406.265 4.244 0 1 HIAF Cc1cccc(C)c1OC(=O)[C@H](C)[C@@H](O)C1(Sc2ccccc2)CCN(C)CC1 45193278 OBCRLNPUVSMFAN-DENIHFKCSA-N 413.583 4.463 0 1 HIAF FC(F)(F)Oc1ccc(CNc2nnnn2-c2cccc(Cl)c2Cl)cc1 71331945 VVOXXCLEAJWRCU-UHFFFAOYSA-N 404.179 4.480 0 1 HIAF COCCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccccc2F)n1 82150485 GUBHEGSVAJLXSY-KXBFYZLASA-N 400.498 4.040 0 1 HIAF CC(C)c1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@@H]1CCCN1C 82180035 DIJYTQNWVCLQFW-FQEVSTJZSA-N 406.578 4.479 0 1 HIAF CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196339 NTGLBGUPLOUBLP-UHFFFAOYSA-N 424.467 4.019 0 1 HIAF COc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3cccc(OC)c3)cc2)cc1 100101409 FMOYLVWKHFTQAS-OOSCYNTBSA-N 400.522 4.311 0 1 HIAF COc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)[C@@H]1CC1(C)C)CC2 144059070 LYQGYKUZIRXZMC-IBGZPJMESA-N 411.473 4.059 0 1 HIAF Cc1n[nH]c(C)c1CCc1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 169307424 HNJCUSHLCUFLJA-UHFFFAOYSA-N 423.542 4.207 0 1 HIAF COC(=O)[C@]1(/C=C/[C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@@H]21 195422579 KAZMGBQDEYZMGJ-FPYYTBKESA-N 409.320 4.297 0 1 HIAF COc1cc(C(=O)N(C)C)ccc1Nc1cc2c(-c3cnn(C)c3)cccc2cn1 207616334 WOGKCFJXLJWDFZ-UHFFFAOYSA-N 401.470 4.089 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCOc5cc(F)ccc54)ncc23)ccn1 219746499 LKOMPTGOHXGPLP-QGZVFWFLSA-N 418.432 4.113 0 1 HIAF CCCCO[C@@H]1OC[C@H](Cc2ccc(O)c(OC)c2)[C@H]1Cc1ccc(O)c(OC)c1 238741848 OMCHYMLRSCWZQB-XLNZFTOWSA-N 416.514 4.306 0 1 HIAF COc1cc2ccc3c(c2cc1OC)N(C)[C@@H](CCO)c1c-3ccc(OC)c1OC 238747610 VCIQDGITMVHJRZ-SFHVURJKSA-N 409.482 4.415 0 1 HIAF COc1cnc2ccc(C3(c4nnc5c(F)cc(-c6cc(C)no6)cn45)CC3)cc2c1 299865826 URCNGWOVLTUSRQ-UHFFFAOYSA-N 415.428 4.469 0 1 HIAF Cc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)cc1 299868414 RHZXDVCKUWPBFF-LADGPHEKSA-N 417.534 4.170 0 1 HIAF CCCS(=O)(=O)N1CCC(c2nc3cccc(OCc4ccccc4)c3[nH]2)CC1 586952399 JSNFPSMIYCYVOU-UHFFFAOYSA-N 413.543 4.061 0 1 HIAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(C)cc2[nH]1 586956241 BFTAAUOHCZESQN-UHFFFAOYSA-N 419.506 4.298 0 1 HIAF CC(C)COc1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2cc1Br 587128466 MPQOKUWGWFWRDV-UHFFFAOYSA-N 400.227 4.093 0 1 HIAF Fc1ccc2c(c1)C[C@H](c1nc3c(Br)cnc(Br)c3[nH]1)O2 587173712 HHESKTVZZLYSIZ-SNVBAGLBSA-N 413.044 4.298 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1cncnc1)O2 587369977 ABWBISWHKIHSOD-HXUWFJFHSA-N 410.271 4.039 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(Br)o1)O2 587371955 INRJLKBFOVJSRG-GFCCVEGCSA-N 401.054 4.402 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)Nc3ccccc3)cc1)O2 587391043 RRGYOUPHYNDVBG-QFIPXVFZSA-N 402.450 4.301 0 1 HIAF CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587391591 SLYUHIWJTSTVMY-DEOSSOPVSA-N 404.466 4.447 0 1 HIAF Cn1c(O)cc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587575242 DZAMJCZMYYWQJC-ZJSXRUAMSA-N 401.418 4.467 0 1 HIAF COc1ccccc1-n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587582048 NLDULZBVVJJZDD-XUZZJYLKSA-N 414.417 4.289 0 1 HIAF CCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587586775 JQPSKJDUIVIXRS-GBXCKJPGSA-N 401.418 4.006 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)N1 587764900 AIICEYGHMWPCEN-BLVKFPJESA-N 413.331 4.349 0 1 HIAF C[C@H]1Sc2nnc(-c3n[nH]c4c3CCC4)n2N=C1c1ccc(Cl)c(Cl)c1 653819599 FXYPPPBQIAYYJT-MRVPVSSYSA-N 405.314 4.210 0 1 HIAF Cc1c(OCCCN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c(=O)c1C 653861144 KRPAYSVTULTMNX-UHFFFAOYSA-N 410.345 4.411 0 1 HIAF COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)[C@H](O)O2 685935431 MOMKOGNUPUNXPC-JOCHJYFZSA-N 408.406 4.045 0 1 HIAF biogenic,in-vitro FC(F)(F)c1cccc2c1[C@@H](c1ncc(-c3ccccn3)o1)NCC21CCOCC1 962961138 SQNGNLZKHFGANN-IBGZPJMESA-N 415.415 4.496 0 1 HIAF COc1ccc2c(c1OC)[C@]1(CC(=O)C[C@H](c3ccccc3)C1)NCC21CCOCC1 963197064 XUSXDBVQVIYJQT-SIBVEZHUSA-N 421.537 4.087 0 1 HIAF Cc1c(O)ccc2c1[C@H](c1cc(F)ccc1OCc1ccccc1)N[C@H](C(=O)O)C2 963512573 XIAPMBIWVMLPNW-CVDCTZTESA-N 407.441 4.107 0 1 HIAF CCN(CC)Cc1ccc(NC(=O)c2n[nH]cc2Nc2ncnc3sccc23)cc1 1772645989 FLFGOZHEFLZZRQ-UHFFFAOYSA-N 421.530 4.252 0 1 HIAF O/N=c1\cc(-c2cc3cccn3cn2)oc2ccc(OCCCc3cccnc3)cc12 1772647226 RBOGQPFUPOSUGQ-SZXQPVLSSA-N 412.449 4.444 0 1 HIAF CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 1340301 NEVNMBCJTHZTBS-UHFFFAOYSA-N 420.542 4.295 0 3 HIAF C[C@@H]1c2cc(Cc3ccccc3)c(-c3ccccc3)n2CCN1Cc1cnc(N)nc1N 13520544 BYYHQKXHHYWFBF-GOSISDBHSA-N 424.552 4.277 0 1 HIAF CCOc1cc(OCC)cc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)c1 13525222 SBSPMKNAUUNSOY-UHFFFAOYSA-N 420.918 4.394 0 1 HIAF CN1CCN(c2ccc(Nc3ncc4ccn([C@@H]5C[C@H]6CC[C@@H]5C6)c4n3)cc2)CC1 14954861 ACDIRSKTMRLXAX-NJNPRVFISA-N 402.546 4.288 0 1 HIAF O=C(O)C(=O)CC(=O)c1ccc(-c2ccc(SCCc3ccncc3)cc2)cc1 28221688 OITKKKCAABDOLP-UHFFFAOYSA-N 405.475 4.310 0 1 HIAF CCN(CC)Cc1ccc(C(=O)N(CCc2ccc(Cl)cc2)[C@H]2CCNC2)cc1 28823633 FUYGSVMPRFVNAM-QHCPKHFHSA-N 413.993 4.229 0 1 HIAF CC(C)c1ccc(CN2CCN(C(=O)CC34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)CC2)cc1 32748005 MDQNLWQFPXRGJH-PJYWLYPCSA-N 410.602 4.176 0 1 HIAF Cc1ccccc1COc1cc(NC(=O)c2ccccc2)ccc1N(C)S(C)(=O)=O 45286956 UPTLYVKIHTXSNA-UHFFFAOYSA-N 424.522 4.222 0 1 HIAF Clc1cccc2c(-c3noc(CN4CCCC4)n3)cn(CC3CCOCC3)c12 66073745 IVQAPXKHSUQVFR-UHFFFAOYSA-N 400.910 4.367 0 1 HIAF COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(Cc3ccccc3)c12 84633776 VYWGWQXJWULHNO-UHFFFAOYSA-N 400.438 4.207 0 1 HIAF O=C(Nc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1 84652502 NXQBRORDMXGPPG-UHFFFAOYSA-N 401.514 4.090 0 1 HIAF C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 95877065 XNACUZIZQDXWGE-IMUNSOENSA-N 423.532 4.315 0 1 HIAF Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1NC(=O)CC(C)C 96916332 XAGBWBSHXPZAKN-UHFFFAOYSA-N 407.474 4.163 0 1 HIAF COc1ccc([C@H]2C(c3ccccc3)=C(c3ccccc3)Nc3nc(N)[nH]c(=O)c32)cc1 102822661 ZMZRFBGSYTXGHA-FQEVSTJZSA-N 422.488 4.487 0 1 HIAF CCOc1cc(C)nc2c1[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1Cl)CO2 146594666 QOQUTFMYXKRWGK-CYBMUJFWSA-N 414.811 4.253 0 1 HIAF COc1cc(-c2cnn(C)c2)ccc1Nc1cc2nc(-c3cnn(C)c3)ccc2cn1 207767339 QHFYAIHPKQHJJI-UHFFFAOYSA-N 411.469 4.183 0 1 HIAF CC1=N[C@]2(N=C1N)c1cc(Br)ccc1CC21CCC(OC(C)C)CC1 210604773 VLZNLJRDFMUDDW-GQOXECLESA-N 404.352 4.344 0 1 HIAF COc1ccc(-c2ss/c(=N/O)c2-c2cc(OC)c(OC)c(OC)c2)cc1O 216142800 HISUTRYFTYALQW-FMQUCBEESA-N 421.496 4.174 0 1 HIAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3[nH]ccc23)cc1 225942118 PHMPKAWRVVMOOJ-IZZDOVSWSA-N 403.463 4.048 0 1 HIAF COc1cccc(-c2cc(=O)c3cc(Cl)cc(NCCCN(C)C)c3o2)c1N 299828239 HRJDKBURPCIQLH-UHFFFAOYSA-N 401.894 4.068 0 1 HIAF CC(C)C[C@@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)C(=O)O 299832367 FPIZUBHJQMKCPU-JOCHJYFZSA-N 415.493 4.472 0 1 HIAF O=C(c1ccccc1)c1c(C(F)(F)F)[n+](=O)c2ccc(C(F)(F)F)cc2n1O 377799886 MDHNMAJHZIMBQL-UHFFFAOYSA-N 403.258 4.062 0 1 HIAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587082662 ADMQRFCYVDIOKN-UHFFFAOYSA-N 421.309 4.335 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc5c(cc4[nH]3)OCCCO5)c2)c1 587235174 MQRJYRLHWWOKRN-UHFFFAOYSA-N 413.477 4.342 0 1 HIAF COC(=O)[C@H](C)[C@@]1(c2cccc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587377201 LPRXOFFDOJQYOD-FKIZINRSSA-N 418.287 4.010 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nncs1)(c1ccc(F)cc1)O2 587383486 CIZHRNXTGBENQS-IBGZPJMESA-N 401.488 4.221 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587452916 VXBJKEDRALWTEW-NBGIEHNGSA-N 400.430 4.393 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3cc(N(CC)CC)ccc31)CC2=O 587467567 FCEJJHJOEWAZRR-XMMPIXPASA-N 409.482 4.361 0 1 HIAF CCOC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598476 XUAVBUDUVLLQSS-ZJSXRUAMSA-N 420.417 4.037 0 1 HIAF CN(C)c1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587657385 ZRQSADANBLGIDI-UHFFFAOYSA-N 405.404 4.096 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2F)(C(F)(F)F)N1 587704728 JQSIYRVJSJBYIM-VXJOIVPMSA-N 407.180 4.462 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cccnc2Cl)N1 587706245 PFEMXJVAEDBWJJ-ZBQKBQLVSA-N 424.745 4.490 0 1 HIAF COC[C@@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587725935 SYYUSUGJGDIFLF-YPMLDQLKSA-N 400.238 4.291 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCC(=O)O)N1 587796472 SXLPZXGREHNZGI-WYRIXSBYSA-N 408.267 4.065 0 1 HIAF CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(Nc3nnc(C)o3)cc21 653806096 XMROUEWSJUBHLY-UHFFFAOYSA-N 405.502 4.227 0 1 HIAF Cc1ccn2c([C@]3(c4ccc(Cl)cc4)NCCc4nc5ccccn5c43)cnc2c1 962983357 LCOVHKWYQMXNSS-DEOSSOPVSA-N 413.912 4.381 0 1 HIAF Cc1ccccc1N=c1ccnc(N2CCC(NC(=O)c3cccc(Cl)c3)CC2)[nH]1 1857637259 MEFHDMJSNIPCEB-UHFFFAOYSA-N 421.932 4.003 0 1 HIAF CNC(=O)c1ccc2nc(C)c3nnc(-c4cc(OCC(C)C)ccc4Cl)n3c2c1 1857746893 NUXSVUZDEZKZLN-UHFFFAOYSA-N 423.904 4.301 0 1 HIAF O=C(O)C1=CC[C@@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(Cl)cc2)C1 36387294 IYRQIDGPPLKOHA-KRWDZBQOSA-N 412.294 4.140 0 3 HIAF Cc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@@H]3CCCc4ccccc43)c(C)o2)cc1 5058034 TUKPYDBIIZTJDX-IIMAJNMQSA-N 422.550 4.401 0 1 HIAF CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CCOCC4)cc3)cc2)CC1 13488927 AMLBLZKKHJTHSR-UHFFFAOYSA-N 422.569 4.327 0 1 HIAF CC(C)N(CC[C@](CC[C@H]1CCCCN1)(C(N)=O)c1ccccc1Cl)C(C)C 26264569 AFVWAVIJLFYWRJ-XXBNENTESA-N 408.030 4.494 0 1 HIAF CCCCC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N21 26950973 VXZPZDGVAUGUMM-ZLNRFVROSA-N 415.537 4.284 0 1 HIAF COC(=O)C(C)(C)c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 45188443 MARKFAUFCFINOE-QRWLVFNGSA-N 423.475 4.410 0 1 HIAF Cc1cc(OCCCN2C[C@@H]3[C@H](C2)CN3C)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49050584 ZHACVDSMPRHWEQ-HTAPYJJXSA-N 408.521 4.001 0 1 HIAF CN1CCC(N(C)C(=O)c2cnn(-c3ccccc3-c3ccco3)c2C2CC2)CC1 58534786 YZOCOYZWVGPADA-UHFFFAOYSA-N 404.514 4.176 0 1 HIAF COc1cc(Nc2cccn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1 59150815 GCIBZKILAXKLDP-UHFFFAOYSA-N 404.445 4.282 0 1 HIAF Cc1c(Sc2ccc(Cl)cc2)c2ccc(S(C)(=O)=O)cc2n1CC(=O)O 73162768 VBNVWLWDXYXHRY-UHFFFAOYSA-N 409.916 4.242 0 1 HIAF C[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1cc(F)c(NS(C)(=O)=O)c(F)c1 84653172 IIRSCYPPTBXNHL-CYBMUJFWSA-N 424.513 4.054 0 1 HIAF COc1cc(C(=O)c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)cc(OC)c1OC 95581620 LVNLQAYTRDUBEW-UHFFFAOYSA-N 406.360 4.352 0 1 HIAF C[C@]1(c2cc(Br)cc(NC(=O)c3cccs3)c2)CCSC(N)=N1 96174307 ILVSANQLNIXSKF-MRXNPFEDSA-N 410.362 4.430 0 1 HIAF COc1ccc2c(O)cc(=O)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2c1 100777208 ZRWBPRSATATQHI-UHFFFAOYSA-N 401.418 4.129 0 1 HIAF Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)c2)nc1 169311641 FFLZCDMNACBDNH-UHFFFAOYSA-N 415.902 4.121 0 1 HIAF O=C(OCCF)[C@@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1N2CCCF 169347043 XXLBWUCJODELRH-BSDSXHPESA-N 416.306 4.258 0 1 HIAF Cc1cnc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@@H]3C)c(C)c1 225980146 ZCMLNGREFPJXJY-CYBMUJFWSA-N 416.312 4.345 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586900737 KXYDVTUVZKUZMV-UHFFFAOYSA-N 410.451 4.008 0 1 HIAF FC(F)(F)c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cn1 587018597 JJIATCJZZZLAOV-UHFFFAOYSA-N 418.400 4.462 0 1 HIAF O=C1CC=C(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)NN1Cc1ccc(F)cc1 587164556 WFEUBQMSUNUXMY-UHFFFAOYSA-N 408.330 4.138 0 1 HIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587174884 NFRHTSCQKANWPO-LLVKDONJSA-N 413.325 4.475 0 1 HIAF C[C@]1([C@@H]2Cc3ccccc3C(=O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361229 YEJQGKAVJKAQCD-WRALFONMSA-N 418.420 4.431 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@@H](C(=O)O)c3ccccc3)c1)O2 587398971 HAFNMNRDBVTBQE-FGZHOGPDSA-N 403.434 4.488 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)c(F)c1)(C1CCNCC1)CC2=O 587465215 BXYDRYCQDUELSC-QHCPKHFHSA-N 401.453 4.483 0 1 HIAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)c3nc4nc(O)nc(O)c4cc3C[C@@H]12 587560380 BALDFFVPVQSQTJ-CVJORQDNSA-N 403.482 4.015 0 1 HIAF O=C([C@@H]1CCCN(Cc2cccc(Cl)c2)C1)n1ncc2ccc(Cl)cc2c1=O 587651662 NQAOJGJSZDVJNU-MRXNPFEDSA-N 416.308 4.256 0 1 HIAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)nn1C 587721893 RHPGMJHRDWISBP-NXSYQRQQSA-N 406.221 4.273 0 1 HIAF CC(=O)Nc1cccc2c1[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587745931 XRIGJAQMYUCGJW-BIBXISHDSA-N 403.295 4.271 0 1 HIAF CCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)ccc21 587769268 AEEOKJZVVRSZKU-MPBGBICISA-N 403.295 4.041 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1C[C@H]2CN(Cc2ccccc2)C1 587776669 XXKNXTKOIILJRN-JLSDUUJJSA-N 415.350 4.470 0 1 HIAF COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC 587808087 OSYUMNTXBQBECD-BIBXISHDSA-N 424.310 4.412 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C(c2nccs2)(c2nccs2)N1 587854103 PRKOETLAJSZCDY-VIFPVBQESA-N 410.337 4.327 0 1 HIAF COc1ccc(-c2ccc(CCC(=O)O)n2-c2cnc(C)c(Br)n2)cc1 587939953 FTYSZMHSCHOPLA-UHFFFAOYSA-N 416.275 4.031 0 1 HIAF C[C@@]1(c2cccc3oc(N)nc23)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640855 MJFNPIUVHBQHKK-FNZWTVRRSA-N 410.521 4.420 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](Cc2ccc(F)cc2Cl)(c2ccoc2)N1 962906172 XCOZLPDUSJWMKF-RXVVDRJESA-N 403.812 4.296 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ccc(F)cc2)(c2cncc3ccccc23)N1 962919752 LDBFTMSZAJONKC-ZCYQVOJMSA-N 416.427 4.404 0 1 HIAF CC(C)Cc1cc(CNS(=O)(=O)c2cccc3cccnc23)nn1-c1ccccc1 1772649488 QNGUXLPPDMBKJF-UHFFFAOYSA-N 420.538 4.098 0 1 HIAF Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C1(c2nc[nH]c3nccc2-3)CC1 1857590476 SHIWIQYWTPQUEN-UHFFFAOYSA-N 411.465 4.141 0 1 HIAF COc1cc2c(c(O)c1C(C)=O)-c1c(C)cc(O)c3c1[C@H](O2)c1cccc(O)c1C3=O 2356713600 MWSTUXWPIZPLKW-XMMPIXPASA-N 418.401 4.016 0 1 HIAF C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1 205709100 SGMIONYIGMBCES-GCQDIAHQSA-N 408.464 4.395 0 3 HIAF NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 603789 AYGLZYIWAZBQDC-XMMPIXPASA-N 419.500 4.199 0 1 HIAF Cc1csc2nc(Cc3cccc(NC(=O)c4cccc(NO)c4)c3)oc(=O)c12 1903936 BMRGNVVGPKSZGN-UHFFFAOYSA-N 407.451 4.202 0 1 HIAF COc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC 5999005 YCCPYTPBHUIHGW-HOTGVXAUSA-N 404.459 4.331 0 1 HIAF in-vitro CCCCCN1CC(=O)N2[C@@H](c3cccc(C)c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 6592124 GZSAAFZDARQPDR-RDGATRHJSA-N 415.537 4.351 0 1 HIAF biogenic CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCCCc4ccccc4)CO[C@@H]23)cc1 25237894 AAFRNMHBQQJNCI-KEZOAJOQSA-N 424.541 4.116 0 1 HIAF biogenic CC(C)NC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28131551 UUHKKDGGLAQYTI-UHFFFAOYSA-N 405.483 4.219 0 1 HIAF C=CC(=O)OCCO[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 35064153 MZAVRMYKKYOSTP-AREMUKBSSA-N 413.473 4.290 0 1 HIAF COc1cc(OC)cc(C(=O)N[C@@H]2CCN(Cc3ccc4ccccc4c3)C[C@H]2C)c1 36351871 ZDCIMEKMJPQAFI-IQGLISFBSA-N 418.537 4.497 0 1 HIAF CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 38798212 OFXZJOZJRALMEK-UHFFFAOYSA-N 416.587 4.356 0 1 HIAF Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnnc(-c3ccc(F)cc3F)c21 64417368 PXLJVTKFYJOEBS-UHFFFAOYSA-N 401.319 4.344 0 1 HIAF COc1cccc([C@H](OC2CN(C(=O)N3CCCCC3)C2)c2cccnc2Cl)c1 73279897 WPVRQOXZCVLZQE-FQEVSTJZSA-N 415.921 4.140 0 1 HIAF Cc1nnc([C@H](NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)C(C)(C)C)o1 146398102 QYLLCSHAKQWRMO-HNNXBMFYSA-N 412.412 4.109 0 1 HIAF NC1=N[C@](CF)(c2cc(Oc3cccc(Cl)n3)ccc2F)C[C@@H](C(F)(F)F)O1 223549302 SFXSTJPWHBYXAA-BLLLJJGKSA-N 421.753 4.497 0 1 HIAF COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(F)cc1 299878735 JQCDMIRMFIZVRY-CCPTVDRVSA-N 415.461 4.231 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3c(C)ccnc3[nH]1)C(=O)OC2 586914835 CKAQWHTVIDZZQE-LFYBBSHMSA-N 407.470 4.081 0 1 HIAF Cc1cnc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc12 586945326 GOZORZSEFPUQFX-UHFFFAOYSA-N 424.960 4.188 0 1 HIAF Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc2c(C)n1 587238819 GJAAJCDIXFEJDW-UZSYQUHHSA-N 400.523 4.130 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)O2 587394852 JTQXAKHMWNONIZ-QSAZIKIQSA-N 400.519 4.481 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1-n1cncn1 587549991 UQRLIQRWFHYEAW-KNQAVFIVSA-N 419.824 4.329 0 1 HIAF CS(=O)(=O)c1c(-c2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622518 OPFFFYUKYGXUCQ-UHFFFAOYSA-N 408.252 4.016 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(C(F)F)N1 587723392 WODGKBQWLKVOMC-XLFHBGCDSA-N 402.210 4.449 0 1 HIAF COc1ccccc1[C@]1(CNC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587756675 RZYCWAHRHUQWIX-SZNDQCEHSA-N 421.354 4.373 0 1 HIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CC(=O)O 587804552 BUIOMVJNFQJOSU-BIBXISHDSA-N 422.294 4.022 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](CC(=O)O)c3ccccc32)N1 587825452 DKOSLLPQRRTHQF-JNHSQIPHSA-N 404.279 4.328 0 1 HIAF COc1ccc(NC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(OC)c1 587868989 ZJPJMDFGWXVGGN-UHFFFAOYSA-N 422.363 4.070 0 1 HIAF c1ccc(CN2CCN(C[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 653704207 QKLBWFBWMSIHHB-AREMUKBSSA-N 414.549 4.121 0 1 HIAF CC(C)CN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 1772586687 BEPJBRRIMYSUMQ-UHFFFAOYSA-N 406.939 4.159 0 1 HIAF C[C@@H](CC(F)(F)F)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 12612067 GDAMXAPPMKFQEH-INIZCTEOSA-N 424.467 4.269 0 3 HIAF COCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCCN1CCCC[C@H]1C 7991835 ZRONKRFFMUWFCI-GOSISDBHSA-N 422.577 4.125 0 1 HIAF O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccc2c(c1)OCO2 13821523 RNNFVPVAASPLLW-UHFFFAOYSA-N 409.445 4.381 0 1 HIAF C[C@@H](/C=C/c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)n1oc(=O)nc1O 27098952 LVOGMNHMHJMCPC-GFUIURDCSA-N 406.360 4.414 0 1 HIAF CC(C)[C@@H]1C(=O)N[C@@H](c2ccc(NC(=O)CCCN3CCCC3)cc2)c2ccccc21 33823695 ZNEOVOXIFNNFTO-DQEYMECFSA-N 419.569 4.460 0 1 HIAF Clc1cccc(N2CCN(CCCN3CCc4c([nH]c5ccccc45)C3)CC2)c1 40791370 LSVKGHACVTXUEB-UHFFFAOYSA-N 408.977 4.392 0 1 HIAF Cc1ccccc1Cn1nc(-c2nc(CNC(=O)OC(C)(C)C)no2)c2ccccc21 40876343 YUAQYKZNCQLBEW-UHFFFAOYSA-N 419.485 4.468 0 1 HIAF CCOC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 66258993 KJVMAQQFBLAGOS-UHFFFAOYSA-N 418.541 4.476 0 1 HIAF CC(C)N(C)CCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181632 SWVNKLSFKSGRMX-HNNXBMFYSA-N 423.401 4.236 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)NCCCC)co2)cc1 82070613 DXGUJKGGOCODGB-QGZVFWFLSA-N 415.534 4.335 0 1 HIAF COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)[C@H]2COc3ccccc3O2)cc1 95563180 JCSMWROUIBBVBP-ZJSXRUAMSA-N 414.461 4.213 0 1 HIAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2cccs2)s1 95579921 UAVBXTCRHQYQIA-LAUBAEHRSA-N 409.580 4.307 0 1 HIAF CCCn1c(-c2ccccc2Br)nc2ccc(N3CCN(C)CC3)nc21 95584800 KVVCVKMIWFVCBO-UHFFFAOYSA-N 414.351 4.023 0 1 HIAF Nc1nc(Nc2cccc(Br)c2)c2cc(CCc3ccccn3)[nH]c2n1 95585975 IHMGTTHADPULSV-UHFFFAOYSA-N 409.291 4.226 0 1 HIAF CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCC2)[C@@H]1CO 95878588 MVEVAPCGDRHHAJ-IGKWTDBASA-N 423.532 4.319 0 1 HIAF O=C(OC[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(CO)cc(C(=O)OC[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 101588492 NLHFLNGHBNUOLE-UFRCIXKBSA-N 412.526 4.365 0 1 HIAF Cc1cn(-c2ccc3c(c2O)CCN(Cc2cccc(C(F)(F)F)c2)C3=O)cn1 103247226 VBGHXRDKKCVQKD-UHFFFAOYSA-N 401.388 4.104 0 1 HIAF N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2cccc(-c3c(F)cc(O)cc3F)n2)C1 168270531 XPYWUBKBMVKZNW-KGLIPLIRSA-N 424.451 4.365 0 1 HIAF O=C1CCc2cc(OCCCCCCN3CCOCC3)ccc2N1Cc1ccccc1 169308742 VSIXKVDXEWXXOC-UHFFFAOYSA-N 422.569 4.437 0 1 HIAF COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ccc(C(F)(F)F)cn1)C2 221056288 RRWOGIBMESBRRG-MAZHCROVSA-N 409.383 4.106 0 1 HIAF CC1=C[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(O)cc4)CC3)[C@@H]2CCC(C)=CCC1 253638915 BFMMRUIXWOLGNQ-KMDXXIMOSA-N 410.558 4.139 0 1 HIAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@H]3C=CC(=O)O3)CC[C@]21C 255199301 BHCIGQMFNDFUAU-QLCPOYKKSA-N 416.602 4.485 0 1 HIAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@H](C)CN(C)C 299885376 VJXQRQLJWUWQOV-VOQZNFBZSA-N 403.567 4.166 0 1 HIAF OCCc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985224 LSXHJAVGESOEKM-LJQANCHMSA-N 400.320 4.045 0 1 HIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(Cl)cn1 586985360 FYHMQLIVBZZUKD-UHFFFAOYSA-N 415.836 4.381 0 1 HIAF Cc1nc(-c2c[nH]cc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cs1 587021473 OBMMDPLQBKWKNZ-UHFFFAOYSA-N 403.471 4.049 0 1 HIAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2F)c1 587142980 IWMOFFNAVBEQPV-UHFFFAOYSA-N 402.838 4.482 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc3c4c(c(=O)oc3c1)CCCC4)O2 587408660 NHXPJBLOYLKLMO-VWLOTQADSA-N 419.477 4.365 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cnc(N)c(C(=O)O)c3)cc1)CC2=O 587473497 WDCZTTDRNWRSQH-OAQYLSRUSA-N 418.449 4.394 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 587552900 SYISIJFHPOMQCQ-FXAWDEMLSA-N 421.840 4.339 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@H]1CC3C[C@H]2CC(C(=O)O)(C3)C1 587606251 DEMYAGNAUXODHX-SNGDYUEMSA-N 406.434 4.004 0 1 HIAF COc1ccc(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587657088 TZVXMELCXGZXPI-UHFFFAOYSA-N 406.388 4.233 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587732507 NMZAKMFYGVRFTM-WYRIXSBYSA-N 410.258 4.068 0 1 HIAF COc1ccc([C@@]2(CCN(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587741543 ODAGRNKCURZKBT-LHSJRXKWSA-N 421.354 4.326 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](NC(=O)OC(C)(C)C)C2)N1 587742985 MTULHFYINKHATI-MVBJNABHSA-N 413.331 4.395 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587755686 PSQXHNAFIHINBQ-YJYMSZOUSA-N 415.310 4.409 0 1 HIAF Cc1cnn(Cc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c1 587756414 DKKFKEUNRCZFEN-HXPMCKFVSA-N 404.283 4.358 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3sc(N)nc32)N1 587858659 SLEMWICQOCHWRC-YYSFKGJASA-N 410.356 4.377 0 1 HIAF COC(=O)c1ccc(-n2c(OC(C)(C)C)cc(C(C)C)c2O)c(O[C@H]2CCOC2)c1 587924486 ALAIENUOPNBOSM-INIZCTEOSA-N 417.502 4.438 0 1 HIAF CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)[C@H](CN1CCCCC1)c1ccccc1 621431393 AZCCDASEKDDDEB-LOSJGSFVSA-N 405.586 4.337 0 1 HIAF COc1ccccc1[C@@]1(c2ccccc2C)NCCc2ccc(C(=O)N(C)C)cc21 962928967 VBXQJRLOOVFSFQ-AREMUKBSSA-N 400.522 4.143 0 1 HIAF Cc1cc2c(cc1O)[C@@H](c1ccc(Oc3ccc(F)c(F)c3)cc1)N[C@H](C(=O)O)C2 963522556 FLDQMQGLGVJBQF-RBBKRZOGSA-N 411.404 4.459 0 1 HIAF CN1CCN(c2ccc(Nc3cc(-c4ccc(Br)s4)[nH]n3)cc2)CC1 1857610252 IJRSIEZAKKDGBO-UHFFFAOYSA-N 418.364 4.396 0 1 HIAF CC(=O)[C@@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@]35CC[C@]12C 2356736710 KLLPYPVHEZFPAN-FWFNVBNBSA-N 415.618 4.254 0 1 HIAF Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccccc4Cl)no3)CC2)c1 61959855 XORWGWAXIGFRSA-UHFFFAOYSA-N 424.932 4.288 0 3 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCN(CC)CC 4213569 LQAHVNXZHQXNRR-FCHUYYIVSA-N 403.567 4.167 0 1 HIAF C[C@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(C(=O)NCc1ccco1)CC3 13817537 OUGXPQHVPYXHJC-INIZCTEOSA-N 403.482 4.071 0 1 HIAF O[C@@H](CCN1CCN([C@H]2C=Cc3ccccc3N2)CC1)c1csc2ccccc12 27412839 OJOWITMTCTZCJP-UPVQGACJSA-N 405.567 4.407 0 1 HIAF O=S(=O)(CC(F)(F)F)N(Cc1cncnc1)c1ccc(Oc2ccccc2)cc1 28383338 BLOILAORYIVJSE-UHFFFAOYSA-N 423.416 4.168 0 1 HIAF Cc1cc(C)n2nc(S[C@@H](C)c3nnc(SCc4ccccc4F)o3)nc2n1 40408201 JXSKQMHJKXIVKG-LBPRGKRZSA-N 416.507 4.409 0 1 HIAF CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccncn1)CC2 45245518 XHYHAGAWIQDXFU-UHFFFAOYSA-N 422.573 4.030 0 1 HIAF Cc1cc(C(=O)NC2CCNCC2)nn1Cc1cc(Cl)cc2cc(C(C)C)oc12 73162823 IZEMWQORPQBUOS-UHFFFAOYSA-N 414.937 4.245 0 1 HIAF COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC(C)C)ncnc21 82177876 AIQGXWJXGSPHHH-UHFFFAOYSA-N 409.412 4.106 0 1 HIAF Cn1nc(C(=O)NCC2CCN(CCCCc3ccccc3)CC2)c2ccccc21 95566036 LBNWXSSHJSEOTC-UHFFFAOYSA-N 404.558 4.038 0 1 HIAF CC(C)N1CC[C@@]2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 95586030 OLYPNLJFKTVYMI-VWLOTQADSA-N 418.516 4.125 0 1 HIAF O=C(SCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@H](C2)N1S(=O)(=O)c1ccccc1 100899707 DQEFPMAYIWMEDM-SBHAEUEKSA-N 415.580 4.121 0 1 HIAF COC(=O)c1cccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)c1 101078147 PKDWTSIBGOSVNV-UHFFFAOYSA-N 407.491 4.066 0 1 HIAF Cc1ccn2c(C(=O)Nc3cc(-c4noc([C@H]5CC5(F)F)n4)ccc3C)cnc2c1 144126037 XSHQNNBDPNOIQS-CQSZACIVSA-N 409.396 4.376 0 1 HIAF O=C(c1ncccn1)N1CCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C1 206191231 ZDXUJLYBXZCNJB-UHFFFAOYSA-N 415.371 4.077 0 1 HIAF COc1ccc(-c2ss/c(=N/O)c2-c2cc(OC)c(OC)c(OC)c2)cc1 216142894 ZNOMLTKIYNTDHA-FMQUCBEESA-N 405.497 4.468 0 1 HIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587151121 QJHNZLPDKCACEG-MRVPVSSYSA-N 406.332 4.275 0 1 HIAF Cc1cc(Br)c2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2c1 587162910 GRAPJADPIVIJIC-UHFFFAOYSA-N 415.266 4.051 0 1 HIAF O=S(=O)(Nc1cc(-c2nc3cnccc3[nH]2)ccc1Cl)c1ccc(F)cc1 587171752 VLRJJWFSYQCKFX-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C[C@@H]1CCCO1 587197467 PHAWRVSIBFPDRL-VIFPVBQESA-N 403.376 4.035 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Cl)nc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238154 BATJRPWJXIWCQO-GIQGCJHYSA-N 406.914 4.166 0 1 HIAF C[C@]1(c2cc3c(cc2N)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330414 BMVDVTHVUWYJFW-ISKFKSNPSA-N 421.424 4.159 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@@H](C(=O)O)c3ccccc3)c1)O2 587398967 HAFNMNRDBVTBQE-FCHUYYIVSA-N 403.434 4.488 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587435556 GHZHNOCKSVPUIE-KOAQGZTJSA-N 413.514 4.381 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](CC=C(C)C)C(=O)c4ccccc41)[C@@H](C2)C3=O 587447023 KBILENMZHIDABM-KMEZTADASA-N 402.446 4.076 0 1 HIAF COC(=O)c1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587597310 YDNQOQWHLSRTNF-FPOVZHCZSA-N 404.418 4.142 0 1 HIAF O=C(O)CSC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611032 ZBZFSHOJNNNXEB-NZQKXSOJSA-N 422.458 4.067 0 1 HIAF Cc1ccccc1C(=O)Nc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651727 DEVJVIAZMZSJFC-UHFFFAOYSA-N 417.852 4.299 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccoc3C)c(=O)c3ccccc23)c(O)c1 587665950 UVOZQIBNXBIIJW-UHFFFAOYSA-N 417.465 4.205 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)n(C)n2)N1 587713244 MSSHXHKOKGSTCG-ANRSDYALSA-N 406.221 4.138 0 1 HIAF CC(C)c1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 653709736 WXUBRMCBEXLSIZ-UHFFFAOYSA-N 424.541 4.022 0 1 HIAF C[C@]1(Cc2c[nH]c3ccccc23)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962690495 AWWAKTXJZDIYSU-AZUAARDMSA-N 406.379 4.383 0 1 HIAF CC(=O)c1ccc2cccc([C@@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2n1 962775178 ZIEPGAQDPQAHQA-KNQAVFIVSA-N 412.411 4.347 0 1 HIAF O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21c2c(F)cccc2C[C@@H]2CCCN21 963105366 MEBBRSGVMVTGTE-QLXKLKPCSA-N 413.448 4.381 0 1 HIAF COc1ccc(C=CN(CCc2ccc(OC)c(OC)c2)C(=O)c2ccccn2)cc1 1857622436 QVDMHXUBHJZRFF-UHFFFAOYSA-N 418.493 4.463 0 1 HIAF CCCSc1nc(Nc2ccccc2)c2ncc(=O)n(Cc3ccccc3)c2n1 1857649063 UNXMZPCOICYPNK-UHFFFAOYSA-N 403.511 4.481 0 1 HIAF O=C1[C@H]2ON(c3ccccc3)[C@H](c3c[nH]c4ccccc34)[C@H]2C(=O)N1Cc1ccccc1 1857770699 DICIKGKWPXYNNT-SMIHKQSGSA-N 423.472 4.215 0 1 HIAF O=C(NCCCN1CCN(c2ccccc2F)CC1)Nc1cccc2ccccc12 2468645 YOWZJYTZLKIZFD-UHFFFAOYSA-N 406.505 4.313 0 1 HIAF COc1ccc(Nc2ncc(C(=O)NCCCN3CCCC3)c3ccccc23)cc1 4734308 QMUBRMQJYXHARV-UHFFFAOYSA-N 404.514 4.203 0 1 HIAF COc1cccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4n4cccc34)C2)c1 6782631 PZYWXRJGTXPTEM-IBGZPJMESA-N 414.509 4.029 0 1 HIAF S=C1NC(=S)N(Cc2cccc(Cl)c2)CCN1Cc1cccc(Cl)c1 13652013 HGDVOXRBWNVXSN-UHFFFAOYSA-N 410.395 4.471 0 1 HIAF CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCc2ccc(C(=O)O)cc2)CCC1 13836512 UKQBTMIUJAZTON-HBOBLJELSA-N 414.542 4.161 0 1 HIAF Cc1cnc2c(-c3ccc(F)cc3F)c(-c3ccc(S(C)(=O)=O)cc3)nn2c1C 13861632 VXRCHIZUVDJRTC-UHFFFAOYSA-N 413.449 4.362 0 1 HIAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cc4ccccc4s3)c2=O)CC1 25427083 DFOMWIQWSKQHHH-MJGOQNOKSA-N 419.594 4.243 0 1 HIAF biogenic CCC(=O)N(c1ccccc1)C1(COC)CCN([C@@H](C)[C@H](O)c2cccs2)CC1 27980045 OZSJJACQMYZOPH-AVRDEDQJSA-N 416.587 4.094 0 1 HIAF COc1ccc2c(c1)c1c(n2S(=O)(=O)Cc2ccccc2)CCC[C@@H]1CN(C)C 28103396 LWNYVECHJPKUMF-GOSISDBHSA-N 412.555 4.010 0 1 HIAF Cc1cc(/C=C/c2ccccc2OC[C@@H](O)CN[C@@H](C)CCc2ccc(O)cc2)on1 29232272 SRGALVVKLPDAAI-SRLKBVILSA-N 422.525 4.210 0 1 HIAF CCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 29549447 WAUNCDQDEMAMGB-UHFFFAOYSA-N 401.532 4.140 0 1 HIAF O=C(CCc1cccs1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 38480152 FETVMDMQGRMEIQ-UHFFFAOYSA-N 423.538 4.278 0 1 HIAF COc1ccc([C@@H]2CC(C3CCCCC3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 70459629 MFBGTNBCFBEARO-QFIPXVFZSA-N 413.543 4.230 0 1 HIAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCCC3=CCCCC3)co2)cc1 82072712 VGTBUCMZABTUTA-OAQYLSRUSA-N 407.514 4.261 0 1 HIAF Cc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CC[C@H]2CCCN2C)cc1 82179214 JPXIWBVHQYKEIP-HXUWFJFHSA-N 416.529 4.491 0 1 HIAF COc1cc([C@H](C)NC(=S)NCc2ccc(C(C)(C)C)cc2)ccc1OCCN 84691006 VLPAROWWHSRGPV-INIZCTEOSA-N 415.603 4.056 0 1 HIAF O=C(Nc1ccc(C2=CCN(C(=O)C3CCCC3)CC2)cc1)N1Cc2ccncc2C1 166890913 RHLZNKVHUNHDLT-UHFFFAOYSA-N 416.525 4.435 0 1 HIAF Cc1nnc2sc(C(=O)NCc3ccc(-c4ccc(F)nc4)cc3)c(N)c2c1C 221839857 HAXLKQVEMGYHPJ-UHFFFAOYSA-N 407.474 4.021 0 1 HIAF CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1)c1ccccc1 299885746 VYCKZVITPZGWLA-FYYLOGMGSA-N 403.482 4.014 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Cl)nc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238151 BATJRPWJXIWCQO-FYYVMTAXSA-N 406.914 4.166 0 1 HIAF COc1cc2c3c(c1)O[C@@H](C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H](C2)C3=O 587433686 ULLNGSUAKQCIOZ-QYZOEREBSA-N 409.482 4.467 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)ccc(Br)c21 587461842 ZOADUHFHZRCLJM-FQEVSTJZSA-N 416.271 4.228 0 1 HIAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)nn1C 587554138 HKAMEJPOTPNHCE-YJBOKZPZSA-N 404.344 4.156 0 1 HIAF CC(C)NC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587570397 IPEIYFDETVAXDC-NZQKXSOJSA-N 403.434 4.233 0 1 HIAF CN(C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587572126 NTRHUNSYZFRBJD-URXFXBBRSA-N 403.434 4.166 0 1 HIAF COC(=O)CC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572353 SFFKRXAMADGINI-XUZZJYLKSA-N 422.408 4.342 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2ccnc2)(c2ccc(F)cc2)N1 587729773 DJMNICNATCMTEW-XCLFUZPHSA-N 418.285 4.402 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C2)N1 587741037 FVUSHECBTDGQEM-MJCKAROISA-N 413.331 4.395 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587741459 HHEAGONWXRMMSE-BIBXISHDSA-N 421.310 4.353 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCN(C)C)c2)N1 587743123 VMLKGSQWAVNNEU-RBZFPXEDSA-N 407.327 4.152 0 1 HIAF CCOC(=O)Cc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792281 BHBWJECWTCZPAW-LRTDBIEQSA-N 420.322 4.492 0 1 HIAF CC(C)Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587793297 NIPPUAVAHJBGKT-YUNKPMOVSA-N 408.311 4.491 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587847521 UJJWTOGFAWGYEA-DYBLOJMWSA-N 407.308 4.040 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)sc3c2CCOC3)N1 587856188 WSBBECQIGSMJAA-DYBLOJMWSA-N 411.340 4.102 0 1 HIAF CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5c[nH]cnc-5n4)c3)CC2)CC1 618011817 VSGMDGBEKCFCTG-UHFFFAOYSA-N 418.589 4.008 0 1 HIAF O=C1NCCN1c1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)cc1 962645878 SWRDWSRIZUXBEY-RSXGOPAZSA-N 424.548 4.053 0 1 HIAF Cc1cccc2c1N(C)C=C(C(=O)O)[C@@]21c2ccsc2CCN1Cc1ccco1 962716063 TYYJGEPYAZDBQB-HSZRJFAPSA-N 406.507 4.370 0 1 HIAF COC(=O)[C@@]1(c2cn(C)c3ccccc23)c2ccsc2CCN1Cc1ccco1 962717639 VDNHECKNUTVCBQ-QHCPKHFHSA-N 406.507 4.308 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H]([C@@H]2CCN(Cc3ccccc3)C2)N1 962717990 YCDQONAFKQBXHC-VOBQZIQPSA-N 422.422 4.007 0 1 HIAF COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)cc2)cc1F 962896335 JUJJBQCMRASLBI-FCHUYYIVSA-N 423.415 4.107 0 1 HIAF C[C@]1(Cc2c[nH]c3cccc(F)c23)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975152 XRDJAQXAOWDUSD-MGPUTAFESA-N 408.807 4.295 0 1 HIAF COC1([C@]2(c3cccc(C(F)(F)F)c3)NCCc3c(C(=O)O)cccc32)CCC1 963125015 RPDBXXZMPXJEGN-OAQYLSRUSA-N 405.416 4.362 0 1 HIAF CCCCc1cc2c(=O)c(C(=O)NC(C)C)c[nH]c2cc1OCCOc1ccccc1 1857549663 QBDSORHNQLBTKG-UHFFFAOYSA-N 422.525 4.467 0 1 HIAF C=CC(C)=CC[C@]1(C)[C@H](C)CC[C@]23C(=C[C@H](O)C[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O 2356582187 CLMGAZWYZXAAJO-VGCDPUPISA-N 418.530 4.047 0 1 HIAF CC(=O)N1CCc2cc(NC(=O)[C@@]3(C)CCN3Cc3ccc(C(C)C)cc3)ccc21 61903148 PBXCLXOOTUTQNL-RUZDIDTESA-N 405.542 4.322 0 3 HIAF COc1ccccc1C(=O)N[C@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O 199411711 DQLQVRZTASZGNB-SFHVURJKSA-N 420.431 4.025 0 3 HIAF CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 763057 FUXQLGJADZZIQL-SFHVURJKSA-N 420.431 4.455 0 1 HIAF COc1ccc([C@@H]2CC(=O)N(CC(=O)N3CCCCC3)c3ccccc3S2)cc1 5053261 LUKDUPRZMFUWIZ-NRFANRHFSA-N 410.539 4.278 0 1 HIAF CN(CCc1ccccc1)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682671 YDPBSJKOADFTFY-UHFFFAOYSA-N 405.338 4.314 0 1 HIAF Cc1nc2cnccc2n1CC1CCN(C(=O)OCC2(c3ccccc3)CC2)CC1 13745855 QLCZQDHWIBBCCS-UHFFFAOYSA-N 404.514 4.320 0 1 HIAF Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1ccc(Cl)cc1 14945552 FHTOFDBQMPQMLQ-UHFFFAOYSA-N 411.795 4.310 0 1 HIAF CC(/C=C1/C(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)=C(Cl)Cl 15148589 GSTRDEBFQFLBIV-FMDAWORTSA-N 422.567 4.275 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCC2CCCCC2)[C@H]1Oc1ccc(C(=O)O)cc1 27204535 BNPBKHLQTOQNLR-FQEVSTJZSA-N 402.491 4.028 0 1 HIAF COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)/C=C/c3ccccc3)C4)c2c1 28817525 RGARHLWYICZBMA-ACGJQVIASA-N 424.504 4.116 0 1 HIAF CCOC(=O)c1s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n(CC2CC2)c1C 28954352 VCRMLBYWNMZLCM-NKFKGCMQSA-N 412.433 4.205 0 1 HIAF OC[C@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 36289117 CNPAPCMIYUFOOZ-ZWEKWIFMSA-N 402.582 4.221 0 1 HIAF CN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@@H](c1cccs1)[C@@]21Cc2ccccc2C1=O 40391014 BHMALGNTDBPTJQ-QTLGCAHFSA-N 414.530 4.074 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c1C 71332571 QOLHUCVLXVPCQL-SOLBZPMBSA-N 412.490 4.057 0 1 HIAF CC(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1CC[C@@H]1CCCN1C 82185821 FBYOHAOFNWCZCS-IBGZPJMESA-N 410.541 4.260 0 1 HIAF COc1ccc([C@@H](CC(=O)NCc2ccccc2)c2c(O)cc(OC)cc2OC)cc1 95597440 XUCOAQWTRZAPLT-OAQYLSRUSA-N 421.493 4.256 0 1 HIAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 95877067 XNACUZIZQDXWGE-OBSHWXBWSA-N 423.532 4.315 0 1 HIAF COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)cc1 100108408 ARSUAUPWLYNDSQ-UBRQYEGLSA-N 417.484 4.473 0 1 HIAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)CCCc2ccccc2)[C@@H]2CC[C@@H]1C2 101210220 FKOIYBLNYOUXOR-RFWYYUHSSA-N 419.587 4.155 0 1 HIAF COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C#N)nc1 143252385 DWLARPPEZGCACN-UHFFFAOYSA-N 415.384 4.089 0 1 HIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccc3ncsc3c2)n1 144099464 YTHCTEVKCAABIK-GOSISDBHSA-N 420.494 4.479 0 1 HIAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(CC(C)(C)O)ccc3Cl)nnc12 145743224 BKFJBOQWAWVYLP-UHFFFAOYSA-N 407.905 4.492 0 1 HIAF CN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)Cc1ccc(Cl)cc1 149185422 FVLUWMHVUGCKAU-OAQYLSRUSA-N 405.325 4.186 0 1 HIAF COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1[C@@]21N=C(N)N(C(C)C)C1=O 169700411 MHLVJXQIYBRATN-VZTJNBFISA-N 411.590 4.167 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@H](c3ccccc3)CC[C@H]2C1 254092435 ILBCFHDOQNPYQO-KURKYZTESA-N 413.949 4.071 0 1 HIAF FC(F)(F)c1ccc(N2CCN(c3ncnc4c3ncn4C3CCCC3)CC2)cc1 299821311 CFHAVHJZTPOVLU-UHFFFAOYSA-N 416.451 4.287 0 1 HIAF CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@@H]1CCCN1C 299875166 COPFLTKCKHKKSY-ICSRJNTNSA-N 406.578 4.479 0 1 HIAF CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 586914406 VWTAXWGUWWMLAF-DNVCBOLYSA-N 415.515 4.045 0 1 HIAF FC(F)(F)Sc1ccc2nc(-c3nccnc3I)[nH]c2c1 587186350 ILDCKAXBEHTGSF-UHFFFAOYSA-N 422.173 4.236 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C[C@@H]1CCCO1 587197374 NVHUQBGFNGWZIW-LBPRGKRZSA-N 415.412 4.378 0 1 HIAF C=CC(=O)Nc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 587243641 HIMCRTKCTIJSKA-UHFFFAOYSA-N 424.629 4.007 0 1 HIAF C[C@]1(c2ccc3nc(O)[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344842 HMJKUNFNUZUQBE-NFBKMPQASA-N 404.397 4.388 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 587383571 YXHSZBUGJPXFLC-FQEVSTJZSA-N 407.388 4.410 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccc(C(=O)O)o1)[C@@H](C2)C3=O 587456942 YOJXRDDPQKQLQY-KSFYIVLOSA-N 406.390 4.054 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C(=O)O)=COc2ccc(Cl)cc21 587460086 FWYSRSPIEIWRCW-NRFANRHFSA-N 400.814 4.220 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591784 XBHONYVADKISBE-FDDCHVKYSA-N 407.422 4.166 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(F)cc2)N1 587727997 CLWZAPFJUHJVSR-WYRIXSBYSA-N 410.258 4.370 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)oc3ccc(F)cc3c2=O)N1 587729316 GYFUZTJAXJYHBM-RBHXEPJQSA-N 421.241 4.040 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cnccn2)N1 587737095 WMKZIGCDMHIPSD-FKIZINRSSA-N 416.269 4.343 0 1 HIAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O 587807843 NXRYSJGGTUKYCX-OVWNDWIMSA-N 408.267 4.146 0 1 HIAF CS(=O)(=O)Nc1ccc(-c2csc(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 587923911 RAOJAFPCYUAJEI-UHFFFAOYSA-N 421.931 4.016 0 1 HIAF C[C@@H](N=c1nc[nH]c2sc(-c3ccc(S(C)(=O)=O)cc3)cc12)c1ccccc1 653698623 NDNROOMOCCOVQA-CQSZACIVSA-N 409.536 4.357 0 1 HIAF O=C1c2ccccc2[C@]2(NCCc3ccc(O)cc32)[C@H]1c1nc2ccc(Cl)cc2[nH]1 963354961 ZMNVJKPDSKOOQL-ZJSXRUAMSA-N 415.880 4.291 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 963603204 BLILKGGYGRINPR-ILWKUFEGSA-N 420.550 4.040 0 1 HIAF Cn1c(C[S@@](=O)c2ccc(F)cc2)c(C(=O)OC(C)(C)C)c2cc(O)ccc21 1772610501 VMNRUZBDDILWPM-MUUNZHRXSA-N 403.475 4.286 0 1 HIAF O=C(Nc1nc2ccccn2c1C(=O)NC1CCCC1)c1ccc(C(F)(F)F)cc1 1857581345 LISXEEVWANVANQ-UHFFFAOYSA-N 416.403 4.278 0 1 HIAF CC1=NN(c2ccc(OC(F)F)cc2)C(=O)[C@H]1C(=O)Nc1cccc(C(C)(F)F)c1 1857604653 RKHTWHXFUQTRLX-MRXNPFEDSA-N 423.366 4.377 0 1 HIAF CC(C)=Cc1cc(-c2coc3cc4c(c(O)c3c2=O)C[C@H](C(C)(C)O)O4)ccc1O 2356490347 FDUNCNVQGNIJMX-HXUWFJFHSA-N 408.450 4.369 0 1 HIAF CC=C(C)C(=O)OCC(=CC)C(=O)OC(=CC)c1cc(OC)c(OC)c(OC)c1 2356605514 IVVZNECQJNOXTP-UHFFFAOYSA-N 404.459 4.072 0 1 HIAF CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 763058 FUXQLGJADZZIQL-GOSISDBHSA-N 420.431 4.455 0 1 HIAF CN1CCN(C(=O)OC2=C(c3ccccc3)Oc3ccccc3-n3cccc32)CC1 13491312 VHPGHALYSSHBTF-UHFFFAOYSA-N 401.466 4.080 0 1 HIAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(C(=O)NCC3CCCC3)cc21 13650707 ZUHHSWCRXPRRHG-UHFFFAOYSA-N 406.482 4.316 0 1 HIAF CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 36331978 ZYDYAOTXGMFSHO-FXAWDEMLSA-N 409.511 4.406 0 1 HIAF O=C(c1ccc(Cl)cc1)n1c(-c2ccc(S(=O)(=O)O)cc2)nc2ccccc21 66251423 WITXMTRAGFTXNC-UHFFFAOYSA-N 412.854 4.292 0 1 HIAF O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 101637723 CLIBJGOZHDJBND-UJMXGEILSA-N 416.550 4.125 0 1 HIAF COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)c1 104116286 KPGPKYFVRUYEKA-HNNXBMFYSA-N 413.499 4.338 0 1 HIAF CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CCNCC2)cc1 144184038 CBCJTISJWHFCOC-AATRIKPKSA-N 404.558 4.017 0 1 HIAF C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164780113 WGLDYJDMRXWXMY-OAHLLOKOSA-N 424.464 4.421 0 1 HIAF N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2cccc(-c3ccc(O)cc3F)n2)C1 167925799 ZGMUXPVXFXTVIK-CABCVRRESA-N 406.461 4.226 0 1 HIAF C[C@@H]1CN(S(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)CC[C@@]12C=Cc1ccccc12 169316661 MKYSQFPCLREISL-DDDCRWRYSA-N 413.583 4.018 0 1 HIAF COc1ccn2c(Cc3ccc(Cl)cc3)cc(C(=O)C(=O)Nc3cccnc3)c2c1 169323275 NHRHXJXRCHELHS-UHFFFAOYSA-N 419.868 4.409 0 1 HIAF O=C(CCCOc1ccc2ccc(=O)oc2c1)N1CCC(Cc2ccccc2)CC1 169352280 GJVAFWHEAOFOAU-UHFFFAOYSA-N 405.494 4.433 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2Cl)c1 169707038 BHNKUPZJKYRGSV-QGZVFWFLSA-N 422.916 4.220 0 1 HIAF CCCCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729899 FCMPMUWSGXGOHY-FCHUYYIVSA-N 424.497 4.459 0 1 HIAF COC(=O)/C1=C\CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H](OC(C)=O)/C(C)=C\CC1 195334412 JQCWXJKSJTVECI-XSYRIHKLSA-N 402.487 4.116 0 1 HIAF Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(F)cc1)[C@@H]2C(=O)NC(C)(C)C 299822739 CHKJWQTUWHHRSS-QFIPXVFZSA-N 407.489 4.253 0 1 HIAF CCOC(=O)C[C@@H](C(=O)CC)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586989410 HXUXOJCITNNNBJ-INIZCTEOSA-N 417.461 4.476 0 1 HIAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2ccnn12 587343728 DFEIVRSKXFZAJC-GGAORHGYSA-N 403.413 4.157 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc(Br)cc1)O2 587370263 DDAFMAPCWJABDK-NDDJGDGRSA-N 401.304 4.276 0 1 HIAF C[C@]1(c2cccnc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550117 ZTWWJIYXZMKBGP-OXQOHEQNSA-N 412.239 4.427 0 1 HIAF Nc1nc2cc(Cl)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 587553271 VDOBIWBJHYCVRE-JXFKEZNVSA-N 408.797 4.472 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 587701708 CFZYUMFYOYDIBC-ZKANADHPSA-N 423.717 4.455 0 1 HIAF COc1cccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587743056 NHMFDCNFHKABAT-MPBGBICISA-N 421.310 4.375 0 1 HIAF COc1cccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587743057 NHMFDCNFHKABAT-ODXCJYRJSA-N 421.310 4.375 0 1 HIAF CC[C@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757491 VJDDTWHQKNIOFG-ADLMAVQZSA-N 401.320 4.252 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)N(C(=O)OC(C)(C)C)C2)N1 587759565 GKQGWOOTVWPLJC-HNYWDRBLSA-N 413.331 4.347 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(Cc3cccnc3)CC2)N1 587770230 ROHRJEGMXDKMMA-QKKBWIMNSA-N 418.354 4.471 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N(C)C)nc2Cl)N1 587850897 FZSWGPIODPXFRU-MADCSZMMSA-N 404.736 4.388 0 1 HIAF CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1c[nH]cc(Br)c1=O 587939437 DVEHZHXESABJSN-UHFFFAOYSA-N 417.303 4.402 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1cn2ccccc2n1 963853965 KPKSVGIRIOXZRJ-VGSWGCGISA-N 421.497 4.369 0 1 HIAF Cc1ccc(N2CC[C@H](N3CC[C@@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F 1772625779 RUJFBNIDDSNLJQ-ICSRJNTNSA-N 404.432 4.070 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2cc(F)ccc2F)C(=O)OC)cc1 1772633537 XBIZVSJNGBCOEY-OYHNWAKOSA-N 419.468 4.353 0 1 HIAF COc1cc2c(cc1OCCCC(=O)Nc1ccc(C)cc1)N=C[C@@H]1CCCN1C2=O 1857598209 YIRRWCAGXPJSTR-SFHVURJKSA-N 421.497 4.122 0 1 HIAF O=C(c1c2c(nn1-c1ccccc1)CC[C@H](NCc1ccccc1)C2)N1CCCCC1 1857598343 ONFVSJZWPOBFCT-NRFANRHFSA-N 414.553 4.146 0 1 HIAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356697099 JHTXRKPGWPKLQU-GUDVDZBRSA-N 411.546 4.249 0 1 HIAF C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2cc3sccc3n2C)C1 4101439 RGDVXUUUSIMRPJ-HKUYNNGSSA-N 423.582 4.230 0 3 HIAF O=C(Cn1nnc(-c2ccccc2)c1COc1ccc2ccccc2c1)NCC1CC1 61906757 SIRGTXSSYRZOEO-UHFFFAOYSA-N 412.493 4.204 0 3 HIAF CN(C)CCCNc1nc2cc(-c3cccc(C(F)(F)F)c3)sc2c(=O)n1C 61909006 VIURWZXZUCCTJM-UHFFFAOYSA-N 410.465 4.044 0 3 HIAF CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3ccc4ccccc4n3)C2)O1 96019012 DNTYFCCRIVPCBC-CPJSRVTESA-N 423.557 4.037 0 3 HIAF O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4076577 YJTJIBHGZGNJIX-PZJWPPBQSA-N 410.857 4.220 0 1 HIAF CCc1ccc(NC(=O)C2CCN(c3nnc(-n4c(C)ccc4C)s3)CC2)cc1 6806081 JLGIJOHKYCXNIX-UHFFFAOYSA-N 409.559 4.363 0 1 HIAF CCO[C@H](Cc1ccc(OCCn2c3ccccc3c3ccncc32)cc1)C(=O)O 12358194 OCSNIPAKIFPWTJ-HSZRJFAPSA-N 404.466 4.301 0 1 HIAF COC(=O)CCCC=C(c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 26847265 DCDRRBGQBNPBMZ-UHFFFAOYSA-N 400.471 4.496 0 1 HIAF CC(C)NC[C@H](O)COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 27102387 SJDRDAXIAHYUCY-HNNXBMFYSA-N 421.415 4.217 0 1 HIAF CCSc1nc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc2n1C 28523491 SALWHPDJZZVIOX-UHFFFAOYSA-N 411.575 4.469 0 1 HIAF Cc1cc(Oc2ccc3c(c2)OCO3)nc(Oc2ccc(-n3ccnc3)cc2F)n1 28709529 FDGPPDMWCPBMSY-UHFFFAOYSA-N 406.373 4.423 0 1 HIAF COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=S)N2CCCCCCC(=O)O)c1 73200010 AKRBADWPYNKQNE-RWDVLYHFSA-N 419.587 4.120 0 1 HIAF CCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82069044 CVAHSCIORHBWPP-LJQANCHMSA-N 407.539 4.068 0 1 HIAF O=S(=O)(Nc1cc(Cl)ccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 95559375 YSVHPACWAGFQQP-UHFFFAOYSA-N 417.705 4.087 0 1 HIAF O=C(O)[C@@H]1CCCN(CCO/C=C/c2cc(F)ccc2Cc2ccc(F)cc2)C1 96923650 JRTSDOUKJZFNHI-RGFVMQALSA-N 401.453 4.340 0 1 HIAF O=c1[nH]c2ccccc2n1C1CCN(C2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 101653821 OTRVJNOKJPZDCM-VXKWHMMOSA-N 416.569 4.162 0 1 HIAF CNc1nc(NCCCN(C)C)c2sc(-c3ccc(C(F)(F)F)nc3)cc2n1 103263066 AGPAJYGJZLIGFE-UHFFFAOYSA-N 410.469 4.177 0 1 HIAF CC(C)C(=O)N[C@H]1CC[C@H](c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166365052 ZLNLDYOQTWIKGX-UEDWGHLCSA-N 406.530 4.428 0 1 HIAF C[C@@H](CSc1nnc(-c2ccncc2)s1)C(=O)NCc1ccccc1Cl 473085556 XUYZLUWSWSMPJZ-LBPRGKRZSA-N 404.948 4.298 0 1 HIAF CCOC(=O)CC[C@@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989907 SEPIUEVDYJVAHW-AWEZNQCLSA-N 403.434 4.168 0 1 HIAF c1cc(Nc2nc(-c3nc4cc5c(cc4[nH]3)OCCO5)cs2)c2cccnc2c1 587018399 YSZKAECUVBDZJR-UHFFFAOYSA-N 401.451 4.749 0 1 HIAF FC1(F)Oc2cc3nc(-c4cccc(OCn5cc(Cl)cn5)c4)[nH]c3cc2O1 587081512 AZCYNEGJSWAWDW-UHFFFAOYSA-N 404.760 4.438 0 1 HIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(Br)nc2[nH]1 587259190 YJZBMXJESAJJLX-HNNXBMFYSA-N 424.302 4.292 0 1 HIAF C[C@@]1(Cn2nc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336626 ZAVLKURSJMGXOZ-BEFAXECRSA-N 422.243 4.247 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2[C@@H](C(=O)O)NC[C@@H]32)c1 587364298 ZUEDPXNJRDOXPE-JCEJCQQGSA-N 414.461 4.359 0 1 HIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(N)c(Cl)cc41)[C@@H](C2)C3=O 587423565 VTLBVQCLPMGRFG-XDHUDOTRSA-N 417.848 4.166 0 1 HIAF COc1ccc(C(=O)Nc2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 587432994 OBWDDJMGSBHPBK-YKSBVNFPSA-N 415.445 4.445 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)N3CCCC3)cc1)CC2=O 587476626 VZURDBAUGGCOJW-RUZDIDTESA-N 423.509 4.227 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C)C(=O)O)c(OCC)c1)CC2=O 587481918 IZEJAVDQMAESFR-RBZFPXEDSA-N 414.454 4.302 0 1 HIAF C[C@@]1(CC(=O)Nc2cccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550374 AAQSXPDZIRFJGY-GCJKJVERSA-N 424.840 4.190 0 1 HIAF Cc1cccc(N2CCC([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)CC2)n1 587580704 DAEMFZSJPBWYLI-RDGATRHJSA-N 416.477 4.342 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@H]2N(Cc2ccccc2)C1 587585592 DXLMYAYFBJBJSG-WOYNUSMLSA-N 413.473 4.387 0 1 HIAF C[C@@]1(c2cccc(N3CCOC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597520 VLHXEGMAMDWAQJ-RDPSFJRHSA-N 417.417 4.226 0 1 HIAF Cc1[nH]nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Br 587684649 ZKIZEDUCVBNFRM-CAAJLBCPSA-N 403.093 4.006 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(Cl)cc3)nn2)N1 587693325 DLJNEUOAYDQZBZ-MLCYQJTMSA-N 421.701 4.446 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCCN(C)C)c2)N1 587738942 DOAOUGNUQWYUFK-SPLOXXLWSA-N 421.354 4.326 0 1 HIAF CCOC(=O)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc1C 587830695 UCVKNXSNCAXFPG-GIGQVBGESA-N 410.283 4.464 0 1 HIAF COC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccc(OC)c(OC)c2)s1 621431181 ZKMRUYCQYBGDKB-GOSISDBHSA-N 411.523 4.420 0 1 HIAF COc1ccccc1[C@@]1(c2cccc(F)c2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963024849 MEZYXVQGAGVKBY-PUAOIOHZSA-N 402.469 4.180 0 1 HIAF C[C@@]1(c2cc[nH]c3nccc2-3)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963187518 VDFURXGRUZQFHD-QAPCUYQASA-N 409.795 4.049 0 1 HIAF Cc1c(O)ccc2c1[C@@](c1ccccc1)([C@H](C)Oc1ccccc1)N[C@H](C(=O)O)C2 963527699 QEOOWTRMAMAJNC-ADSMNUKGSA-N 403.478 4.011 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccccc1CN1CCCC1)C1CC1 963612663 SWODZWPTOOJUCE-WXTAPIANSA-N 406.570 4.487 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2OC)C(=O)OC)cc1 1772586951 VTLNSSNZHAEHEU-GAJHUEQPSA-N 413.514 4.083 0 1 HIAF CNS(=O)(=O)c1cccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772623268 FXOPXBXUGBBOOY-UHFFFAOYSA-N 422.432 4.123 0 1 HIAF [C-]#[N+]c1ccc(C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NCCC)cc1 1857597023 IAFPMSRBFROPSR-GOSISDBHSA-N 403.404 4.123 0 1 HIAF CCC(C)=CC(=O)O[C@@H]1C=C2[C@H](OC)O[C@H](OC(C)=O)[C@H]3CC[C@@H]4C(C)(C)[C@H]1C[C@@]234 2356437549 WYBPMCYBIZBVKA-HPIIYWPGSA-N 418.530 4.145 0 1 HIAF O=C(NC[C@H]1OCCc2ccccc21)c1cc(COc2ccc(F)cc2Cl)on1 13636977 AEXHATDJJDNXCV-HXUWFJFHSA-N 416.836 4.090 0 3 HIAF Cc1ccc(F)cc1C(=O)N1CCC[C@H](c2cc(C(=O)Nc3ccccc3)no2)C1 61897270 WOWAHNXJUPSVDR-INIZCTEOSA-N 407.445 4.394 0 3 HIAF O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205045 GWFFJEMCQTUROB-UNMCSNQZSA-N 411.933 4.034 0 1 HIAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCC(C)(C)CO 4273901 UPSDQAPCJSABDM-LEWJYISDSA-N 404.551 4.234 0 1 HIAF COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccccn2)cc1 7992349 QVDMHXUBHJZRFF-DTQAZKPQSA-N 418.493 4.463 0 1 HIAF NC1=N[C@@H](c2cccc(OCc3ccccc3)c2)N(c2cccc(Cl)c2)C(N)=N1 13559318 JQLXDOJOBIARNA-HXUWFJFHSA-N 405.889 4.067 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1[C@H](O)C[C@H]1C[C@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 25990319 GDBHWWGVCRIESX-FRQXQOBNSA-N 406.563 4.255 0 1 HIAF O=c1nc(SCc2ccccc2)n(CCc2cccs2)cc1Cc1cncnc1 26569862 PCVATYKWGBWCCW-UHFFFAOYSA-N 420.563 4.221 0 1 HIAF CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(N[C@H](C)O)nc21 26647785 TZBPMNNBOKMKLI-INIZCTEOSA-N 402.502 4.437 0 1 HIAF COc1ccccc1C(=O)c1ccc2c(-c3ccc(OCC(=O)O)cc3)nocc1-2 28566860 KARQVHVRWWKMLM-UHFFFAOYSA-N 403.390 4.149 0 1 HIAF Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(Cl)c3)cc1)CCN2 29049273 ZXQPAYCROYPEFR-UHFFFAOYSA-N 407.865 4.293 0 1 HIAF CS(=O)(=O)c1ccc(-c2nc(NC[C@@H]3CC=CCC3)cc(C(F)(F)F)n2)cc1 29131894 UOXFFAVXHZCBJI-CYBMUJFWSA-N 411.449 4.334 0 1 HIAF Cc1nc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 43204133 RMUNXROCBCEXAA-NQIIRXRSSA-N 414.444 4.365 0 1 HIAF COc1cccc(-c2cc(C(=O)Nc3coc4cc(O)ccc4c3=O)ccc2OC)c1 45337964 WZRCULCICDLZDC-UHFFFAOYSA-N 417.417 4.435 0 1 HIAF CC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1cccc2ccccc12 58576549 VJSKWISJKOVRKJ-UHFFFAOYSA-N 423.582 4.195 0 1 HIAF Nc1ncnc2scc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12 63298224 VUHZDNOPEVGHEO-UHFFFAOYSA-N 404.455 4.170 0 1 HIAF Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)c1C 84690102 ZSQBRRZMEIGWGW-UHFFFAOYSA-N 422.413 4.014 0 1 HIAF CCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175328 KNNBOUJMARSVFB-BEFAXECRSA-N 410.539 4.149 0 1 HIAF Cc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccccc3C)cc2)c1 100107926 VTDJBBYBMAZGCD-LNWKWYTESA-N 418.562 4.099 0 1 HIAF Cc1nccn1-c1ccc(Sc2cccc(C3(C(N)=O)C[C@@H]4CC[C@@H](C3)O4)c2)cc1 101027433 NJAUDUPYDIZYIU-PMACEKPBSA-N 419.550 4.396 0 1 HIAF Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@H]2CC[C@H](N3CCCC3)CC2)cc1 101224456 OXYRVSPLWYNARN-TYKWCNGQSA-N 403.526 4.480 0 1 HIAF Cc1nc(-c2cccc(C(F)(F)F)n2)cc(N2CC(c3nc4ccccc4n3C)C2)n1 143099650 AGWOHPRXXKREGR-UHFFFAOYSA-N 424.430 4.356 0 1 HIAF CC(=O)Nc1cccc(-c2cc(CCc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1 169207714 VVBAYEQFYBYFKT-UHFFFAOYSA-N 405.473 4.198 0 1 HIAF C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnn(-c3ccc(F)cc3)c21 225979069 GKKRKEQHTAFIPC-LLVKDONJSA-N 405.260 4.473 0 1 HIAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](Oc2cccc(C(=O)O)c2)CC1 253660086 MURDWSCWZJZGCX-UWAHDGMKSA-N 412.530 4.343 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 586961187 QELPWEOHVVCLLA-BVGQSLNGSA-N 416.934 4.306 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 587145215 IPUMKPKULCWTHE-UHFFFAOYSA-N 409.486 4.210 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCc4ccccc4)[C@H](C)C1)[C@@H](C2)C3=O 587436475 RPIQLIZPRYKOJN-YIEPVFBUSA-N 407.466 4.003 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCN4CCCCC4)c(OC)c1)[C@@H](C2)C3=O 587443114 LBBBLOBLIZJEEB-DFBJGRDBSA-N 423.509 4.057 0 1 HIAF C=CN1CCCC[C@H]([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587591958 GSSNNTPGICDUGD-NXQMDHLFSA-N 419.477 4.275 0 1 HIAF C[C@H](C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O 587601986 GNCLJDLSWYXQOT-ZNSVGSLASA-N 404.418 4.360 0 1 HIAF Cc1nnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1-c1ccccc1 587655744 ADHMZJUCIMIRLC-UHFFFAOYSA-N 415.403 4.220 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCNC(=O)OC(C)(C)C)N1 587752569 DSNLVOHCQNMFLR-ADLMAVQZSA-N 401.320 4.252 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccncn2)(c2ccccc2)N1 587776433 CNOHJNWZPAMGQX-QKKBWIMNSA-N 412.306 4.399 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)O)nn3ccccc23)N1 587798356 VDHYHXDBMYRXCS-BBATYDOGSA-N 418.310 4.087 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)nc(-c2ccccn2)n1 587868176 HOEDOARIBZCUCV-UHFFFAOYSA-N 412.375 4.122 0 1 HIAF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cnc1Cl 963173749 FBQXKTWAKGWLAH-RISCZKNCSA-N 405.203 4.404 0 1 HIAF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C[C@@]5(CC[C@@]43C)NCCc3ccc(O)cc35)[C@@H]1CCC2=O 963354267 VQLMAEOUQJWKGI-YLVCYYDHSA-N 421.581 4.236 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cccc(-n3ccnc3)c2)C1 1772583953 XSOUGWAKUIUSDC-KRWDZBQOSA-N 408.889 4.017 0 1 HIAF COc1nn(-c2ccccn2)c2cc(-c3ccc([C@H]4C[C@@H]4C(=O)O)cc3)cc(F)c12 1772584443 NDAGWIYJGKXHOZ-SJORKVTESA-N 403.413 4.423 0 1 HIAF CCc1ccc(CN2CCN(Cc3ccc(CC)cc3)[C@@H](Cn3ccnc3)C2)cc1 1857597567 DPBSNGNCJMLBES-AREMUKBSSA-N 402.586 4.395 0 1 HIAF Cc1ccc(NC(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@H]3[C@@]2(C)CO)cc1 2356315617 DFPGMORDBHSFDI-VMOSYGLWSA-N 401.503 4.053 0 1 HIAF CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2cccc(Cl)c2)O3)cc1 61929721 KQDLBKZWSKGFIF-XMMPIXPASA-N 421.928 4.478 0 3 HIAF CCOC(=O)c1cc(-c2ccccc2C)n(C[C@H]2CC(c3ccc(OC)cc3)=NO2)n1 61959390 UOJUSKOHMKQQRU-LJQANCHMSA-N 419.481 4.237 0 3 HIAF C[C@]1(C(=O)NCc2ccccc2Br)CON=C1c1cccc(Cl)c1 772118 JKJICTHZDHTMIZ-SFHVURJKSA-N 407.695 4.160 0 1 HIAF O=C(c1ccccc1)N1CCC[C@@H]2C[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C[C@H]21 3981117 IUJFZAIAEZRGHJ-VEYUFSJPSA-N 418.581 4.310 0 1 HIAF COc1ccccc1C(=O)CCCCCN1CCN(c2noc3ccccc23)CC1 13493257 VRSNKCQWIMHWFX-UHFFFAOYSA-N 407.514 4.402 0 1 HIAF CCN(CC)Cc1cccc2c1S(=O)(=O)c1c(CN(CC)CC)cccc1O2 26247282 PRDMAQWQIQANIZ-UHFFFAOYSA-N 402.560 4.309 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccccc1 82133600 BWMAPYKFFMPZCG-KRWDZBQOSA-N 404.514 4.335 0 1 HIAF CC(C)Cc1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@H]1CCCN1C 82180886 KKGSYDYDDIODDO-LJQANCHMSA-N 424.568 4.303 0 1 HIAF Clc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@@H]2CCCO2)cc1 82184958 JUZNYXYSWUYYBX-SFHVURJKSA-N 420.904 4.333 0 1 HIAF COc1cc2c(NCc3ccccc3)c(C(N)=O)cnc2cc1-c1c(C)noc1C 84635925 VCRMDHVRVRZNLO-UHFFFAOYSA-N 402.454 4.226 0 1 HIAF CN1CCN(c2cccc(Nc3nc4c(-c5ccc(F)cc5)cccn4n3)c2)CC1 84669334 DRBLSGJGTGHHCV-UHFFFAOYSA-N 402.477 4.031 0 1 HIAF CC(=O)OC[C@]1(O)C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(C)=O)[C@H]2CC[C@H]1C3 85957216 OQDCKOUFTOKDOD-DHLGUUOTSA-N 406.563 4.257 0 1 HIAF in-man CC(C)[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 95553570 LGGAKUPXXCXLLZ-XVPJOVGPSA-N 406.526 4.290 0 1 HIAF OCC1CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4o3)cc2)CC1 95559780 GSPPBEDIAJRJPI-UHFFFAOYSA-N 417.469 4.362 0 1 HIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](F)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118919900 ZQZFTIODRGJPCF-CLWCSFAOSA-N 410.570 4.426 0 1 HIAF CN(c1nc2cc(F)ccc2o1)[C@@H]1CCc2c(CC(=O)O)c3cc(F)ccc3n2C1 203540763 LQLWDVDNKZVRLG-CQSZACIVSA-N 411.408 4.139 0 1 HIAF NC(=O)[C@@H]1CC=C(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 220267601 HARNAUAUWRBJSD-GOSISDBHSA-N 424.508 4.301 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@H]2CCCC[C@@H]21 586957441 AMVXVENTRRREHJ-OREJSRFESA-N 421.526 4.134 0 1 HIAF COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144093 PCIZUDLGRIWOHA-UHFFFAOYSA-N 406.369 4.441 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2c1 587173594 FVTJNUOACLFYKQ-HNNXBMFYSA-N 405.223 4.317 0 1 HIAF C[C@]1([C@@H]2COc3ccccc3O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360057 UCRLGAHYIXJQFL-WPFOTENUSA-N 406.409 4.489 0 1 HIAF Nc1cccc2c1C(=O)c1cccc(N)c1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511791 RXFIMZFKBFICAO-SANMLTNESA-N 410.473 4.183 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(N2CCOCC2)c1 587558787 UMQNGIIKRGULHJ-ZJSXRUAMSA-N 421.424 4.071 0 1 HIAF CCOC(=O)c1sc(Nc2ccccc2)c(-c2ccc3c(O)nc(O)nc3n2)c1C 587562731 JQFJUSWNNKFAOO-UHFFFAOYSA-N 422.466 4.393 0 1 HIAF C[C@@]1(c2ncc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614190 ROKMFPRFADRCIF-KBXCAEBGSA-N 418.268 4.488 0 1 HIAF COC(=O)c1c(Cc2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622775 SUHXXRDHGKLEKM-UHFFFAOYSA-N 402.223 4.323 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccc(Cl)nn23)N1 587705322 MUJZBFYIICCYMG-VVVCHXIZSA-N 409.690 4.082 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2N2CCOCC2)N1 587723841 YRCQOHYQUHHHDD-CWTRNNRKSA-N 423.301 4.188 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3ccnc3)cc2)N1 587753436 ISCLRRNLCGZXPB-ZUOKHONESA-N 400.295 4.457 0 1 HIAF Cc1[nH]c2ccccc2c1[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805370 UBHHPHKDYLIBDS-FVINQWEUSA-N 417.278 4.240 0 1 HIAF COc1cc(C)cc2c1OCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587836401 UGZHHNYJNWEPSM-ODXCJYRJSA-N 406.295 4.466 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)s2)N1 587853436 MZQHMUCQOUTNOS-QTTZVWFDSA-N 406.118 4.431 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C)c(Cl)c1C 587860969 HLODQQPRGCBPBS-UHFFFAOYSA-N 412.799 4.385 0 1 HIAF C[C@]1(/C=C2\Nc3ccccc3NC2=O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962691693 ASRIFOBWFDZRBJ-GZCUUUDTSA-N 409.530 4.353 0 1 HIAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@]1(CC[C@@H](C)C1)N2C(=O)OC(C)(C)C 962703337 GIVXVNBFDFOQMT-BQKRCXSJSA-N 403.494 4.492 0 1 HIAF CC(=O)c1ccc2cccc([C@]3(C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2n1 962775182 ZIEPGAQDPQAHQA-SIKLNZKXSA-N 412.411 4.347 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1ccnc(Cl)n1 963857312 YYANXLRWORYVBX-KDOFPFPSSA-N 417.893 4.164 0 1 HIAF COc1nc(C(=O)[C@H]2C[C@@H]2C(=O)O)ncc1N(CC1CC1)c1cccc2ccccc12 1772616350 QYPOYXFLLPVCEL-ROUUACIJSA-N 417.465 4.090 0 1 HIAF COc1cc(C(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)ccc1-n1cnc(C)c1 1911575152 ADZFHVHIVAENEZ-LJQANCHMSA-N 407.489 4.423 0 1 HIAF COc1cc([C@@H]2CC(=O)Oc3cc(O)cc(C=Cc4ccc(O)cc4)c32)ccc1O 2356512398 ZYHGYHJVGNKOFF-IBGZPJMESA-N 404.418 4.423 0 1 HIAF Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)o1 13596981 FBEWYDBSBWPFEG-HXUWFJFHSA-N 400.567 4.291 0 3 HIAF COc1ccccc1N1CCN(CCCC[C@]23CCCc4cccc(c42)NC3=O)CC1 1896330 MUBNQYJQCBLICS-SANMLTNESA-N 419.569 4.214 0 1 HIAF Cc1oc(-c2ccccc2NS(C)(=O)=O)nc1CN(C)Cc1ccc(Cl)cc1 11912265 CTWLGRGTPGJIGA-UHFFFAOYSA-N 419.934 4.307 0 1 HIAF Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(Cl)cc3)CC1)C(=O)OC2 13612710 IQLZMOLGOMDVTI-UHFFFAOYSA-N 413.905 4.208 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 13834041 BUPWFKLTAPZHIE-AYHJJNSGSA-N 413.949 4.246 0 1 HIAF in-vivo C[C@H]1CCCC[C@@H]1N(C)C1CCN(CCCNC(=O)/C=C/c2cccs2)CC1 20241370 JULDRBVVYBVBBQ-NUBZLUIHSA-N 403.636 4.243 0 1 HIAF O=C(O)C1(c2ccc3c(c2)OC[C@H](Cc2ccc4ccccc4n2)[C@H]3O)CCCC1 26383991 SIKIAJDUWPJIDO-GAJHUEQPSA-N 403.478 4.416 0 1 HIAF COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN(C)C 28528810 FZJNUBRRMWUZTE-UHFFFAOYSA-N 424.328 4.389 0 1 HIAF Nc1onc(-c2ccncc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28568063 INBHFJIACZSINN-UHFFFAOYSA-N 403.282 4.298 0 1 HIAF O=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CCN(c2ncccn2)CC1 34805360 DNFIKGVLGPRNPN-UHFFFAOYSA-N 412.415 4.125 0 1 HIAF Cc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc2)n1 38153788 WVLOVNHEUBAALF-UHFFFAOYSA-N 405.449 4.254 0 1 HIAF CC(C)=CCc1cc(-c2coc3cc4c(c(O)c3c2=O)C[C@@H](C(C)(C)O)O4)ccc1O 59728665 STWKZOLIYPDQRJ-NRFANRHFSA-N 422.477 4.454 0 1 HIAF biogenic Cc1nc2c(=O)n(Cc3ccccc3)nc(Cl)c2c2cc(-c3ccccc3)nn12 64454390 CORJPLANXRFZNY-UHFFFAOYSA-N 401.857 4.116 0 1 HIAF CCOC(=O)N1CCC(c2nc(-c3ccc(OC)c(OC4CCCC4)c3)no2)CC1 72175521 XCROJXPAXYBTJQ-UHFFFAOYSA-N 415.490 4.403 0 1 HIAF COc1ccc(F)c(-c2ccc3c(c2)[C@]2(COC(N)=N2)c2cc(OC)ccc2O3)c1 95575701 MVXQIQQZUNOJEY-HSZRJFAPSA-N 406.413 4.204 0 1 HIAF Cc1cc(N2CCC(Oc3nccnc3C3CCOCC3)CC2)nc2ccccc12 96169020 JLYSBBRWLSGIEL-UHFFFAOYSA-N 404.514 4.275 0 1 HIAF Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3nncc-3c2O)cc1Cl 100702993 OZNPNOZRGBEFHT-UHFFFAOYSA-N 410.886 4.410 0 1 HIAF CC(=O)N1C[C@@H]2C[C@@H]1CN2Cc1cc2cc(Oc3nc4cccnc4s3)ccc2o1 101656283 WPGBXAGVMGVJEH-JKSUJKDBSA-N 420.494 4.035 0 1 HIAF O=S(=O)(c1ccccc1)[C@@H]1C[C@H]2O[C@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 102285136 ONZSWOKBHMLNCW-PQNGQFLHSA-N 420.486 4.022 0 1 HIAF Nc1ccc2c(c1)[C@@H](O)[C@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2 103232421 LNIMWHNBBWKUND-XDHUDOTRSA-N 409.505 4.415 0 1 HIAF O=C(O)CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 113581219 HTTOMFGIDDKXGS-UHFFFAOYSA-N 422.308 4.383 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@@]32O)C1 118916805 WJOGTCZNZPHODB-SPZQQDFNSA-N 416.558 4.175 0 1 HIAF COc1cccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCC(C)CC2)c1 137713441 GZZDOKXXJYZNJZ-UHFFFAOYSA-N 414.502 4.452 0 1 HIAF O[C@@H]1CCCC[C@@H]1N1CCC(CCCC2CCN([C@@H]3CCCC[C@H]3O)CC2)CC1 253636148 OTKJKWJZVZDXKV-ZFFYZDHPSA-N 406.655 4.188 0 1 HIAF CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cccnc43)CC2)[C@H]1c1ccccc1 299849094 VERJHOAQBPYQNX-LNLFQRSKSA-N 406.486 4.180 0 1 HIAF O=S(=O)(NC1CCCC1)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc12 584905687 BCAADIRANQOVRJ-UHFFFAOYSA-N 409.433 4.470 0 1 HIAF in-vitro O=[S@](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(c1ccccc1)c1ccccc1 586961915 YZBOJJACZYFIAU-GDLZYMKVSA-N 402.479 4.183 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CCO)cc3[nH]2)C[C@H]2CCCC[C@@H]21 587026128 KFKICLLKZIJQOK-QMMLZNLJSA-N 409.555 4.234 0 1 HIAF O=C1CCc2cc3[nH]c(-c4cc(-c5ccccc5)nc5c(Cl)cnn45)nc3cc2N1 587081869 XATHXIFTXTTZQL-UHFFFAOYSA-N 414.856 4.478 0 1 HIAF CN1C(=O)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587333825 CVZCGADLUVKKAC-UPVQGACJSA-N 403.409 4.152 0 1 HIAF CSc1nccc(C[C@]2(c3ccc(F)cc3)CC(=O)c3cc(C)cc(N)c3O2)n1 587384040 JIRHUKSLQQNZJW-JOCHJYFZSA-N 409.486 4.332 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4cccc(Br)c4)c1)[C@@H](C2)C3=O 587420437 WPCCIYRYAOEPLI-OXJNMPFZSA-N 411.255 4.132 0 1 HIAF CCCc1c(O)ccc2c1OC1(CC2=O)c2c(O)cccc2C(=O)c2cccc(O)c21 587485989 WDSKCLFBIKYIJU-UHFFFAOYSA-N 416.429 4.209 0 1 HIAF COC(=O)c1[nH]c(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587794399 UQSYNHDNHQDEJP-AYLIAGHASA-N 409.299 4.117 0 1 HIAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC 587807337 NBVAXPLZMVQFFB-MGNBDDOMSA-N 410.283 4.238 0 1 HIAF CC(C)(CN1C(=O)c2ccccc2[C@@H]1C(=O)NCCCF)c1ccc(Cl)cc1 653723925 PLURIBOHSAYLHF-LJQANCHMSA-N 402.897 4.291 0 1 HIAF CON/C=C\[C@]1(c2ccc(OC)cc2)c2ccsc2CCN1Cc1cccnc1 962993549 JLCCAOUKEWVAOQ-BLSBEMRDSA-N 407.539 4.118 0 1 HIAF Cc1cc(C(F)(F)F)n(-c2nc([C@@]3(C)NCCc4ccc(O)cc43)c(C)s2)n1 963342679 RRFZJSXHCLSGSR-SFHVURJKSA-N 408.449 4.079 0 1 HIAF Cc1ccc(N2CC[C@@H](N3CC[C@@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F 1772625778 RUJFBNIDDSNLJQ-AZUAARDMSA-N 404.432 4.070 0 1 HIAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 72139606 NXALNJDSPBFCFY-QFIPXVFZSA-N 413.539 4.354 0 3 HIAF CC[C@H](c1nnnn1-c1c(C)cccc1C)N1CCN(C/C=C/c2ccccc2)CC1 72141021 YUCQSDHNAYLYHS-VTJDKEBTSA-N 416.573 4.061 0 3 HIAF CCNc1cccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 581872 DGXPRFFOVPWQOE-UHFFFAOYSA-N 422.907 4.040 0 1 HIAF CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F 775651 JQAWFKYLIJEFIQ-NSHDSACASA-N 413.287 4.041 0 1 HIAF Cc1cc(C)cc(Nc2nnc3n2S(=O)(=O)c2cc(C)c(Cl)cc2S3)c1 5930682 VDPQLKVMUYRYRK-UHFFFAOYSA-N 406.920 4.302 0 1 HIAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)/C=C/C=C(C)C 27747218 RGAOOVNYDMBWPX-OJGJWBPKSA-N 404.547 4.062 0 1 HIAF COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccc(Cl)cc3)CC1)OCC2 27883519 ODPWESVJJBIVJS-NRFANRHFSA-N 416.949 4.183 0 1 HIAF C[C@@](CO)(CCCS(=O)CCC[C@@](C)(CO)c1ccccc1)c1ccccc1 28566969 JSOCMLGSQVOMQK-ZEQRLZLVSA-N 402.600 4.196 0 1 HIAF COC[C@H]1CCCN1C(=O)C1=C(C)Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 40845235 YUQIGBKAJHYJLB-AUUYWEPGSA-N 421.328 4.116 0 1 HIAF Cn1cc(-c2ccnc3[nH]c(-c4cccc(CNC5CCC(O)CC5)c4)cc23)cn1 45195322 RAVKIVGACRBHTN-UHFFFAOYSA-N 401.514 4.024 0 1 HIAF Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C 45259908 IPXCVXXZEZCJRH-UHFFFAOYSA-N 412.374 4.205 0 1 HIAF C[C@H](C[C@H]1CC[C@@H]([C@H](C)Cn2cc(-c3ccccn3)nn2)O1)OC(=O)c1ccccc1 64540417 JMQXMAWLGSWGBC-MYJYVVNQSA-N 420.513 4.159 0 1 HIAF CCC(=O)Nc1nc(-c2ccc(OC)cc2OC)cc(-c2ccc(OC)cc2OC)n1 66104033 QEDPTBCEWGMNCW-UHFFFAOYSA-N 423.469 4.194 0 1 HIAF CC(C)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccco1 82082026 KJOPFVMAUMGVIZ-QGZVFWFLSA-N 417.918 4.127 0 1 HIAF COc1ccc(-n2cnc3c(sc4ncnc(Nc5ccc(F)cc5)c43)c2=O)cc1 95561500 MBEFENLYQAIOSY-UHFFFAOYSA-N 419.441 4.282 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)NC1(C(F)(F)F)CC1 96929160 XZMDWZUYDFLMRU-ICVGDBTHSA-N 424.507 4.111 0 1 HIAF Cc1nc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2n1C 147826473 FITNTDDQDXTUHS-UHFFFAOYSA-N 423.476 4.170 0 1 HIAF CS(=O)(=O)N1CCC[C@@H]1c1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 216019043 UPOHXDUXLHLJCM-LJQANCHMSA-N 418.902 4.283 0 1 HIAF COc1cc([C@@]2(COC(=O)/C=C/c3ccccc3)CO2)c(OC(=O)C(C)C)cc1C 238736643 PDXLMFXZQYBQIS-NFPSEPLVSA-N 410.466 4.047 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 299876413 FQJHQCITQOZRFI-ZHODDXKCSA-N 404.551 4.232 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Cl)c(F)c(F)c4[nH]3)cc12 587037719 MPDUXQUHQDMKHI-ZETCQYMHSA-N 409.849 4.242 0 1 HIAF Cc1ccc(-c2csc3ncnc(SCc4nc5c(N)ncnc5[nH]4)c23)cc1 587040238 XYKNMLOHLQSTTR-UHFFFAOYSA-N 405.512 4.208 0 1 HIAF CC1=C(c2ccc3nc([C@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3c2)NNC(=O)C1 587070683 TYDNOSWELFEAAR-CYBMUJFWSA-N 408.889 4.348 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3ccc(C(F)(F)F)cc3F)nc-2[nH]1 587109470 KSFGCFKCIHXTRR-UHFFFAOYSA-N 403.339 4.447 0 1 HIAF Cc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1Br 587163714 NRRVMFJPUOAKPP-UHFFFAOYSA-N 415.266 4.051 0 1 HIAF C[C@@]1(c2cccc(NC(=N)N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340065 UYIXLJYNYCSIBX-REWPJTCUSA-N 405.429 4.111 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1c(C)cccc1I)[C@@H](C2)C3=O 587429436 VOURSILKRGHQAA-KPZWWZAWSA-N 406.219 4.097 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(C[C@H]1COCCN1C(=O)OC(C)(C)C)CC2=O 587475488 MIAHTIHPPOITMF-NPMXOYFQSA-N 419.518 4.095 0 1 HIAF COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598159 AUYQQOKDBCYQKM-ZJSXRUAMSA-N 420.417 4.123 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc(-c2ccc(Cl)cc2)no1 587871182 PHOPVZSHMAHHNZ-UHFFFAOYSA-N 412.808 4.480 0 1 HIAF COC(=O)C[C@H]1N=C(c2ccc(Cl)c(C)c2)c2cc(OC)ccc2-n2c(C)nnc21 653699427 KQYXEGKZGKVXKA-GOSISDBHSA-N 424.888 4.001 0 1 HIAF Clc1ccc(N2CCN(CCCCNc3noc(-c4ccccc4)n3)CC2)cc1 653782538 AEGDITSWVZEWFA-UHFFFAOYSA-N 411.937 4.404 0 1 HIAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@]1(CSC[C@@H]1C)N2C(=O)OC(C)(C)C 962711777 QFIRBPJYUOTZBQ-KGRLDLLASA-N 421.534 4.055 0 1 HIAF Cc1[nH]c2ccccc2c1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963134164 CWJICYCSZMZTAF-RDJZCZTQSA-N 413.499 4.269 0 1 HIAF O=S(=O)(c1cccc2ncccc12)n1cc(C2=CCNCC2)c2cc(Cl)ccc21 1857554274 JBCZWOSMCMDNNG-UHFFFAOYSA-N 423.925 4.457 0 1 HIAF O=C(c1ccc(OCCCN2CCN(C/C=C/c3ccccc3)CC2)cc1)C1CC1 1857600833 BCEAIQUMKIIPQI-XBXARRHUSA-N 404.554 4.379 0 1 HIAF COc1ccc(-c2ccc(COC3(c4cccnc4)CN(C#N)C3)c(F)c2)cc1F 1911572764 NJMLRSFOAYMBRN-UHFFFAOYSA-N 407.420 4.244 0 1 HIAF O=C1[C@H]2C[C@@H](CN2Cc2ccccc2Cl)Oc2ccccc2N1Cc1cccnc1 2356603450 DPIPKSHWCNBLAL-SIKLNZKXSA-N 419.912 4.304 0 1 HIAF Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)NCc2cccnc2)C1 4057496 YMDIOEQCQLSZQW-IBGZPJMESA-N 424.932 4.227 0 3 HIAF O[C@H](CCN1CCN(c2cccc3c2OCO3)CC1)c1csc2ccc(F)cc12 13491151 ORGSQSTZLGJRRN-LJQANCHMSA-N 414.502 4.015 0 1 HIAF COc1ccc(Oc2c(-c3ccc(S(C)(=O)=O)cc3)oc(C)cc2=O)c(Cl)c1 13581221 KQVXEUPXZOZBRD-UHFFFAOYSA-N 420.870 4.473 0 1 HIAF C[C@@H](CCc1ccco1)N(C)C(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 15734851 WWMPYDNLLCOGBU-KRWDZBQOSA-N 424.570 4.494 0 1 HIAF CC1=Nc2nc(NS(=O)(=O)c3ccc(C)cc3)nn2[C@H](c2ccc(Cl)cc2)C1 18105887 LHOHCQPZKMTYQG-KRWDZBQOSA-N 415.906 4.126 0 1 HIAF CCOC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 26740091 FRGNNZYHLRTEQP-LNRXMEIDSA-N 415.480 4.485 0 1 HIAF O=C1CCC(=O)N1[C@@H](CCc1ccncc1)COc1ccc(-c2ccccc2)cc1 27319075 KICAPRIDENNFTR-QFIPXVFZSA-N 400.478 4.278 0 1 HIAF COc1ccc2c(OCc3nnc4ccc(-c5ccccc5F)nn34)ccnc2c1 40429932 MJIYYQVUIZGONV-UHFFFAOYSA-N 401.401 4.066 0 1 HIAF CC(C)N(CC[C@](CCCN1CCCCC1)(C(N)=O)c1ccccc1F)C(C)C 40465109 ICDDLOQOGBZMAC-DEOSSOPVSA-N 405.602 4.324 0 1 HIAF CCCC[C@@H](CC)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Cl)c(F)c2)C(=O)O1 40829547 ZNLUECRWFKKEBI-WWLXTMJWSA-N 412.885 4.300 0 1 HIAF COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 64447366 AXYTWSCYIWVQDK-SXLOBPIMSA-N 406.532 4.120 0 1 HIAF COc1ccc(OC)c(CCNCc2coc(-c3ccccc3Br)n2)c1 72185780 VWEPYNDWQYXRPW-UHFFFAOYSA-N 417.303 4.454 0 1 HIAF Oc1ccc([C@H](c2ccc(O)cc2O)c2cc(Br)c(O)cc2O)cc1 73195755 CNTUMGUCPXXURE-LJQANCHMSA-N 403.228 4.157 0 1 HIAF O=C(NCc1ccccc1Cl)c1cnc(N2CCCC2)nc1-c1ccccc1F 82160045 AMINSXGANOTHKP-UHFFFAOYSA-N 410.880 4.466 0 1 HIAF COCCn1c(CCc2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 82179988 OUNBCKXORGLFGS-UHFFFAOYSA-N 415.541 4.303 0 1 HIAF CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1C(F)(F)F 96903285 QTPZUDXEMBRJTQ-KRWDZBQOSA-N 409.448 4.260 0 1 HIAF CC(=O)N1[C@@H]2C=C(CN3CCC(Nc4ccc5ccccc5n4)CC3)C[C@@H]1CCC2 101451415 DQQJTBKQLYIUIZ-GOTSBHOMSA-N 404.558 4.211 0 1 HIAF COc1ccc(C(=O)Oc2cc(O)cc3oc(-c4ccc(OC)cc4)cc(=O)c23)cc1 138250937 RCBFOXVSFKMIRG-UHFFFAOYSA-N 418.401 4.402 0 1 HIAF CC1(C)OC(c2ccc(S(C)(=O)=O)c(Cl)c2)=C(c2cc(F)cc(F)c2)C1=O 138270936 ZZBBRGPMAKJWMS-UHFFFAOYSA-N 412.841 4.268 0 1 HIAF CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 261189229 YLCHGJNOKWJAIH-UKIBZPOASA-N 421.532 4.424 0 1 HIAF FC(F)(F)c1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cn1 587029873 UVPHCPBGNOTEKP-UHFFFAOYSA-N 400.389 4.498 0 1 HIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc2N1 587126550 YCZVKQGRICVDMC-RFAUZJTJSA-N 405.359 4.059 0 1 HIAF COc1ncc(F)cc1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 587175875 JHXKJGOGEZHLHO-UHFFFAOYSA-N 406.133 4.434 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@](C(=O)C(C)C)([C@H](C)CC(=O)O)CC[C@H]1C)O2 587409889 XKHGLKCXTYTJPD-DUUCSIHASA-N 415.530 4.424 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587485757 KDZXLRUXXABFHX-LSDHHAIUSA-N 419.518 4.441 0 1 HIAF CC(=O)Nc1cccc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511718 NAIZMDMSHUEYDM-AAJFVQQISA-N 404.510 4.460 0 1 HIAF C[C@@]1(c2ccc(Br)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544387 KMWHIHBRFSPJGQ-PXNSSMCTSA-N 412.239 4.427 0 1 HIAF CCOC(=O)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549619 SAEZOYXICVLLNM-CVDCTZTESA-N 424.836 4.466 0 1 HIAF C[C@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552205 OPCHFFNRMUQKNT-HRAATJIYSA-N 407.813 4.146 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ncon2)cc1 587591917 XKTZPMQBMCXLNV-NFBKMPQASA-N 416.389 4.057 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2cccnc2)N1 587754259 LAYKMAMQKRRPAW-ZUOKHONESA-N 400.295 4.457 0 1 HIAF Cc1[nH]c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1CCC(=O)O 587788935 AUVZBPWLZVCFHA-AYLIAGHASA-N 409.299 4.174 0 1 HIAF CC1=C(OC(=O)C(C)C)[C@@]2(C=CO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587831599 IBGKERQAHHLLFS-WLRWDXFRSA-N 410.283 4.292 0 1 HIAF O=S1(=O)C[C@]2(c3cc(Cl)ccc3O1)c1ccsc1CCN2Cc1ccco1 962704930 DVFBEQUMDFTXHR-LJQANCHMSA-N 421.927 4.019 0 1 HIAF CCOC(=O)c1cccc([C@]2(C(=O)OCC)N[C@@H](CC)Cc3c2[nH]c2ccccc32)c1 962951592 IAYKYEAVHNLNLY-BVZFJXPGSA-N 420.509 4.076 0 1 HIAF Cc1ccc([C@@]2(c3ccc(Br)cc3)NCCc3nc4ccccn4c32)nc1 962984968 OWENBEKCSRRFMR-JOCHJYFZSA-N 419.326 4.238 0 1 HIAF COC(=O)c1cc(Br)cc2[nH]nc([C@@H]3NCCc4c3sc(C)c4C)c12 963010352 NOBQHZNAOZFARF-INIZCTEOSA-N 420.332 4.025 0 1 HIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(CCOc3c(F)cccc32)N1 963170249 IUTLKADGDKEZSY-MAUKXSAKSA-N 415.770 4.123 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCCCC(=O)O)c1cccc(F)c1F 963635156 LRMSJMUFQLPYEH-QKFKETGDSA-N 419.468 4.405 0 1 HIAF COc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CCOCC4)nccn23)cc1 1857557633 MDDDAYFWAQDGRP-UHFFFAOYSA-N 404.445 4.048 0 1 HIAF CN(C)CCN=c1[nH]c(/C=C/c2ccc(F)cc2)nc2c(Br)cccc12 1857594048 GTEUFIJEGLFGJN-DHZHZOJOSA-N 415.310 4.097 0 1 HIAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@H](NC(=O)c2ccccc2)[C@H]1c1cccs1 2356288392 COMBNOBOJRQZBL-VIZSFHNOSA-N 414.571 4.007 0 1 HIAF CC(C)=CCc1c(O)c2c(c3c1O[C@@H](C(C)(C)O)C3)OC[C@H](c1ccc(O)cc1)C2=O 2356427834 ODCYMWRNQUTVAA-RTBURBONSA-N 424.493 4.040 0 1 HIAF COC(=O)C1=CO[C@H](C)[C@]2(C)CN3CCc4c([nH]c5ccc(OC)cc45)[C@@]3(C)C[C@@]12C 2356517034 UHDJCSZGZJGMDR-PWOYZBOKSA-N 424.541 4.142 0 1 HIAF COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)cc1 11997799 PIQJPYZKGFJBFT-IBGZPJMESA-N 420.475 4.285 0 3 HIAF Cc1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 2921737 CXITWSLMJOBQHH-OKILXGFUSA-N 413.518 4.072 0 1 HIAF COc1ccc2onc(N3CCN(CCCCCC(=O)c4ccccc4O)CC3)c2c1 13493253 BLJLFJSNEJZSQQ-UHFFFAOYSA-N 423.513 4.107 0 1 HIAF CCN(CC)CCOc1ccc(CCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 13799965 DTOABZXURMGIOT-NTEUORMPSA-N 400.950 4.433 0 1 HIAF Cn1c(N2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc21 36351939 BHTNQFXUFJJYNG-UHFFFAOYSA-N 418.419 4.210 0 1 HIAF in-vivo COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@H]21 45337777 RYTFJNDPQQZRLJ-KSNOWIBYSA-N 416.558 4.421 0 1 HIAF biogenic Cc1c(C)n(C)c2c(Cn3c(=O)n(CCC(=O)O)c4ccccc43)cc(Cl)cc12 72178072 CUTXBCGRPNWRNY-UHFFFAOYSA-N 411.889 4.088 0 1 HIAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCN3CCOCC3)C[C@@H]21 73159711 OQOGMEFNRHFVDB-GPMSIDNRSA-N 421.507 4.117 0 1 HIAF CCN(CC)c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1 82066125 QGWIFLHJUQWNCR-UHFFFAOYSA-N 415.444 4.409 0 1 HIAF COC[C@H](C)Oc1cc(/C=C/c2ccccc2F)cc(C(=O)Nc2ccn(C)n2)c1 95595980 JFPCJEPDGAUUEW-FDMDGMSGSA-N 409.461 4.396 0 1 HIAF CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccc2)[C@H]1CO 95877678 XCJZUGBCQYNSGZ-AVPJRLCVSA-N 412.533 4.297 0 1 HIAF COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2[C@@H]2SC(=O)NC2=O)cc1 169298832 DSASXCJKPZGHQH-RBBKRZOGSA-N 417.490 4.309 0 1 HIAF COc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169696162 KBXXEARFOZLUON-LEWJYISDSA-N 411.523 4.306 0 1 HIAF COC(=O)c1ccc2c(N=O)c([C@H]3C(=O)Nc4c3cccc4C(F)(F)F)[nH]c2c1 169729518 KVNYOTGDQLDEBZ-ZDUSSCGKSA-N 403.316 4.455 0 1 HIAF Cc1ccc(-c2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)nc2-c2ccc(C)cc2)cc1 253667851 VLZDPPKDNMXZLN-MEMLXQNLSA-N 401.510 4.461 0 1 HIAF COc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1OC 587000716 JZZTTYQYCUIHDV-ARJAWSKDSA-N 417.259 4.284 0 1 HIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(F)cnc(Br)c2[nH]1 587108897 IDIRHBNHHHBUMO-UHFFFAOYSA-N 404.117 4.244 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc12 587127462 YBPGDVPPGLSFKX-LDWIPMOCSA-N 415.217 4.200 0 1 HIAF COC(=O)c1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183228 BRAFKESCBFLQTA-HJWRWDBZSA-N 404.207 4.125 0 1 HIAF C[C@]1(c2cccc3oc(N)nc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333811 IFOTZXYQKHITLS-WMZHIEFXSA-N 404.397 4.529 0 1 HIAF CCOC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1C(=O)OC(C)(C)C 587390210 LIJIIUNLYAHCOF-GOSISDBHSA-N 414.458 4.045 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)Cc3ccccc3)cc1)O2 587409340 LNMBGJSGIKVEHM-QFIPXVFZSA-N 407.491 4.258 0 1 HIAF C=CN1CCCC[C@@H]([C@]2(c3ccncc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587474596 IQTQKHXTTVRYBW-CJFMBICVSA-N 420.509 4.373 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)CC(C)C)cc1)CC2=O 587489340 UHQJJKDQFRIEFF-NRFANRHFSA-N 402.512 4.481 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccco2)N1 587706726 QWRJXYGIDCIACL-JDNHERCYSA-N 420.200 4.481 0 1 HIAF C/C(=C\[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587739203 GNUUIFOHXFYPQD-FRKGRFLLSA-N 404.327 4.226 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)n(C)c3ccccc23)N1 587751841 BDNOCEOWLVDZEY-YPMLDQLKSA-N 417.278 4.402 0 1 HIAF COc1cc(OC)c2c(c1)OCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587832442 BTQUXIKNPJYQGE-BIBXISHDSA-N 422.294 4.166 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)s2)N1 587853158 LAJQWBWCLOOBFL-PWCHPLFNSA-N 406.118 4.431 0 1 HIAF CCCSc1nc(Sc2ccccn2)c2ncc(=O)n(Cc3ccccc3)c2n1 1857646998 HENZNNRPYHPIIK-UHFFFAOYSA-N 421.551 4.283 0 1 HIAF CN1CCN(C[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2)CC1 1857762568 NTRHVOKUNHBFDM-RUZDIDTESA-N 400.522 4.499 0 1 HIAF CCCCOc1ccc(C(=O)N[C@@H]2CCCCN(Cc3ccccc3C)C2=O)cc1 200050613 BDHSJAVADNSKCP-HSZRJFAPSA-N 408.542 4.485 0 3 HIAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)Nc1nccs1 5415445 OHKDPOZTMZRPON-GJZGRUSLSA-N 402.520 4.061 0 1 HIAF biogenic Cc1c(CCC(=O)N[C@H](C)C(=O)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 6075908 WMBHYZBRHYIUHX-CQSZACIVSA-N 419.433 4.037 0 1 HIAF biogenic CC[C@H](Sc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1)C(=O)O 8606696 LZACIWDYSLONMH-INIZCTEOSA-N 416.524 4.173 0 1 HIAF O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 11909590 PMQCKONZGCIYPJ-UHFFFAOYSA-N 407.945 4.435 0 1 HIAF COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OC(C)C)=C2 13553840 RTZYJJDTOPLRAX-OAQYLSRUSA-N 414.454 4.190 0 1 HIAF O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCCc2ccccn2)CC1 13782293 NYQISQXAPHJJAD-UHFFFAOYSA-N 406.357 4.463 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCCCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 27210428 PMUKNWYLXYGRRU-QFIPXVFZSA-N 424.497 4.081 0 1 HIAF CN1CCC(N2C(=O)CN=C(c3ccccc3F)c3cc(Cl)c(Cl)cc32)CC1 27747475 BNSKSBQHFDROSP-UHFFFAOYSA-N 420.315 4.411 0 1 HIAF CC(C)[C@H](N)C(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 28826994 NELPQJZODQQQDO-PMACEKPBSA-N 402.431 4.269 0 1 HIAF O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCC1)C(=O)Nc1ccc(Cl)c(F)c1 66262683 AFDBDOJIONZGFY-SFHVURJKSA-N 424.303 4.024 0 1 HIAF CC[C@@H](C)Nc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccccc2F)n1 82153241 JOHZDLOKAIVQIA-MRXNPFEDSA-N 422.504 4.474 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](O)[C@H]([C@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 84653651 QPYHJLGJPROCQR-TUSGKGAUSA-N 418.574 4.420 0 1 HIAF C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H]([C@H]2CC[C@@H]3CCC4(CCCC4)[C@@H]3N2)[C@@]2(O)CN12 85547761 JWRGEHATSYWSHI-YXGULLFVSA-N 408.586 4.086 0 1 HIAF biogenic,in-vitro O=S(=O)(Nc1cc(Cl)ccc1Cn1cnnc1)c1ccc(Cl)c(Cl)c1 95564173 AGJAKUVKWSUXBI-UHFFFAOYSA-N 417.705 4.087 0 1 HIAF CCC/C=C\C/C=C\CCCCC[C@@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 96094951 CPHHQDCIGLXPCO-WBZNGXOHSA-O 412.591 4.083 0 1 HIAF in-vitro COc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)OCC(C)C)CC2 144041100 IXZDZAOSFUUKMB-UHFFFAOYSA-N 415.461 4.279 0 1 HIAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ncccn4)ccn23)c1 147333324 LSNKATLPEMWPSX-UHFFFAOYSA-N 412.375 4.142 0 1 HIAF O=S(=O)(c1ccc([C@H]2CCOC2)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 147566943 HGZNQRRBJKLXNQ-AWEZNQCLSA-N 417.914 4.069 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 586948439 IEZNOTJRZLJWAS-HXUWFJFHSA-N 421.482 4.063 0 1 HIAF COc1cc(OC)c2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc2c1 586948782 NWRMYGKHETXCNF-UHFFFAOYSA-N 423.494 4.356 0 1 HIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 586951365 YLOKDBVGCCHWDY-UHFFFAOYSA-N 412.284 4.282 0 1 HIAF Ic1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039821 FZKDUWXLYSRMBZ-HOTGVXAUSA-N 421.307 4.114 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)ccnc1Br)O2 587374674 ZFIYGRZTDMFZBX-GFCCVEGCSA-N 412.081 4.204 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](NC(=O)C(F)(F)F)c2ccccc21 587462424 QFOFSRFWHYDSFA-HRAATJIYSA-N 419.399 4.329 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ncon2)cc1 587591927 XKTZPMQBMCXLNV-REWPJTCUSA-N 416.389 4.057 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(Oc4ccccc4C(=O)[C@H]1C(=O)c1ccco1)[C@H](C3)C2 587594263 NRZLJUJGLGLDLQ-AHRSJICNSA-N 420.461 4.092 0 1 HIAF CN(C)C(=S)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587612060 IQFFIXWYQDDWEL-DENIHFKCSA-N 421.474 4.320 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Br)n1 587616268 ZOTPYDFDZSLDHF-XJKSGUPXSA-N 404.241 4.314 0 1 HIAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O 587807377 NFOQTTYSKNICMP-GIPWTMENSA-N 422.294 4.320 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OC[C@@H]3CO3)c2)N1 587833102 LXBSLYXRUDHRRE-RRBXVBTKSA-N 406.295 4.164 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3nc[nH]n3)o2)N1 587843278 IDGBQYHSZMHHJF-GLEZIHRCSA-N 409.284 4.074 0 1 HIAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12)c1ccoc1 1857583604 UZUUOTQPFKPHFN-UHFFFAOYSA-N 420.778 4.419 0 1 HIAF COc1ccc(-c2oc3ccccc3c(=O)c2OCCCN2CCCC2)cc1OC 1857775029 LTYLMXWNTPYDJM-UHFFFAOYSA-N 409.482 4.342 0 1 HIAF CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@@H]1CCC1=CC(=O)OC1 2356446281 DJNBAZMKPVTPNB-IPRDPGLQSA-N 418.530 4.435 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](OC(C)=O)CC2 1652554 LLSIBTDXBWUAIU-QGZVFWFLSA-N 416.495 4.012 0 1 HIAF CCc1ccccc1NC(=O)[C@@H]1CCCN(c2nnc(-n3c(C)ccc3C)s2)C1 6806140 LBHVNONBLAQCAH-GOSISDBHSA-N 409.559 4.363 0 1 HIAF CC(=O)OCC1=C[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C(C)C)=C3[C@H]2C[C@H]1OC(C)=O 13413248 VTVZSBYDYBCNCU-DXSQJRSRSA-N 404.547 4.341 0 1 HIAF biogenic O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 26400602 NYESJNSEALKTLB-QIWRWZBJSA-N 420.475 4.201 0 1 HIAF COc1c(C)cnc(C[S@](=O)c2nnc(-c3cccc(C(F)(F)F)c3)o2)c1C 26639939 YRBCXQCWZWFYFU-MUUNZHRXSA-N 411.405 4.084 0 1 HIAF C[C@H]1C[C@@H](C)CN(c2ccc(Cl)cc2C(=O)NCCc2ccc(C(=O)O)cc2)C1 27561160 VYVITXCBCOLLKT-IYBDPMFKSA-N 414.933 4.493 0 1 HIAF C=CC(=O)Nc1ccc(C(=O)Nc2cccc([C@@H](O)c3ccccc3)c2)c(OC)c1 28567928 FSRUYCWCPCDEAQ-QHCPKHFHSA-N 402.450 4.154 0 1 HIAF COc1ccc(CN2c3cc(Cl)ccc3N(C)S(=O)(=O)c3cccnc32)cc1 28637161 GFYKHORMFDIORE-UHFFFAOYSA-N 415.902 4.220 0 1 HIAF O=C1NCN(c2ccccc2)C12CCN([C@H](c1ccccc1)c1ccccc1F)CC2 28886133 GOCDZUODHAZKGO-XMMPIXPASA-N 415.512 4.344 0 1 HIAF OCCN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 82154747 HWIHAMKZTYYAKI-OWOJBTEDSA-N 402.498 4.020 0 1 HIAF CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82221887 TWJBHFXAHOGXQQ-GOSISDBHSA-N 410.953 4.454 0 1 HIAF C[C@@H](c1nc(-c2ccc(S(C)(=O)=O)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1 84406524 JHAOVOZLDIGFEL-HWPZZCPQSA-N 413.902 4.022 0 1 HIAF COCCCCC1(CNC(=O)[C@H]2CCCNC2)c2ccccc2Oc2ccccc21 95580783 DRGBEZGEYKBZRH-IBGZPJMESA-N 408.542 4.011 0 1 HIAF O=C(Cc1ccc(Cl)cc1)OCCOC1=C(c2ccc(Cl)cc2)C(=O)OC1 96914303 KCYPROVBWNVYEB-UHFFFAOYSA-N 407.249 4.064 0 1 HIAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccc(C(=O)C(C)C)cc3)CC2)o1 103291331 ACQZGDOGARUWAF-UHFFFAOYSA-N 417.509 4.451 0 1 HIAF O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](O4)[C@@H]3c3nc4ccccc4[nH]3)ccnc2N1 150318640 LVALWLQZIOYNRM-BDTNDASRSA-N 410.433 4.277 0 1 HIAF CC[C@H](C(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1 167541691 ZTEOTPHJIHTFSF-FQEVSTJZSA-N 401.510 4.372 0 1 HIAF N[C@H]1C[C@@H](N2Cc3nc(-c4ccccc4)[nH]c3C2)CS[C@H]1c1cc(F)ccc1F 204682812 VNGDLXNLUDHUBB-YWMUFLPLSA-N 412.509 4.245 0 1 HIAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2ncc(-c3ccccc3)c(O)n2)c1O 299837705 PEWPYVGJHOJOSD-UHFFFAOYSA-N 419.890 4.134 0 1 HIAF CCOc1cc(/C=C/c2nc3c(Cl)ncnc3[nH]2)cc(Br)c1OC 586978534 WIPXAIWQIMPYLP-SNAWJCMRSA-N 409.671 4.347 0 1 HIAF Brc1nc(-c2nc3cncc(Br)c3[nH]2)c(C2CC2)s1 587011948 FMSQGHHDSPUXIP-UHFFFAOYSA-N 400.099 4.484 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587036569 GGPMAWXLEWLNDC-KRWDZBQOSA-N 407.586 4.082 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)ncc2[nH]1)c1ccc(F)cc1 587171535 RIKIQLGULUFZPW-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF O=C1C[C@]2(C[C@@H](c3ccccc3)N1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343275 BAUYKGPXJKTVCT-OPHFCASCSA-N 417.436 4.280 0 1 HIAF CCOC(=O)C1(c2ccc(F)cc2)CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587383998 ITEVDQOEQYKPCB-UHFFFAOYSA-N 411.473 4.495 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccccc3C(N)=O)o1)CC2=O 587472137 XLOMWDJBGKESTO-JOCHJYFZSA-N 421.449 4.322 0 1 HIAF CCCc1c(O)ccc2c1OC1(CCC(O)(c3ccc4c(c3)OCO4)CC1)CC2=O 587483179 DYSWGHQSXOXYSR-UHFFFAOYSA-N 410.466 4.239 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579310 DCVLGOGQZSDOQV-XUZZJYLKSA-N 413.433 4.293 0 1 HIAF CCOC(=O)C[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610316 FLQLZRUVUFSGNA-KNQAVFIVSA-N 410.447 4.264 0 1 HIAF CC1(C)Cc2nc(N)sc2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587616786 GYVQYATZYMLWPL-KSFYIVLOSA-N 408.479 4.260 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccc(F)cc2)N1 587729227 CLCVUFDHXBXEKV-DXXWUUCVSA-N 408.242 4.146 0 1 HIAF CC(=O)c1ccc([C@]2(C(=O)c3ccccc3)NCCc3c2c(C(C)C)nn3C)cc1 962921993 VEVKOZYJZFSJDK-VWLOTQADSA-N 401.510 4.018 0 1 HIAF CN1C(=O)C[C@H]2CN[C@H](c3n[nH]c4ccc(OCc5ccccc5)cc34)c3cccc1c32 963035447 RTUPYUIBSAOOQQ-GKVSMKOHSA-N 424.504 4.285 0 1 HIAF COc1ccc([C@]2(c3ncco3)NCCc3c(Cl)cc(Cl)cc32)c(OC)c1 963115177 ZUUKLNKSUAOVTC-FQEVSTJZSA-N 405.281 4.436 0 1 HIAF CC1(C)OC[C@H]([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)N1C(=O)O 963832283 NCAFNWWLZVWPDC-IRLDBZIGSA-N 421.497 4.049 0 1 HIAF O=C(c1c(F)ccc(F)c1F)n1nc(OCCN2CCCCC2)c2ccccc21 1857566154 DFRKMFTYHPJZPY-UHFFFAOYSA-N 403.404 4.007 0 1 HIAF Cc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C 1857594614 ZMXQCBKGVXUJDY-VWLOTQADSA-N 402.538 4.094 0 1 HIAF Cc1occc1C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)nc2)c2ccccc12 1857595813 YZSBLGRUVKFBFL-UHFFFAOYSA-N 400.360 4.074 0 1 HIAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(OC)c(OC)c2)cc1 1857771948 QJYUXPHANUMTLA-UHFFFAOYSA-N 403.434 4.109 0 1 HIAF CC[C@@H](C)C=C(C)C1=Cc2cc3c(c(O)c2CO1)C(=O)[C@@](O)(CC(C)=O)C(OC)=C3 2356493639 AEUOEFHLXREGMT-YEBMWUKDSA-N 412.482 4.150 0 1 HIAF COCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1 61904466 KYLFPZUJROWIGC-GOSISDBHSA-N 414.590 4.041 0 3 HIAF CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)cc1 2456828 JWBFTMKKFBWRNM-LJAQVGFWSA-N 411.502 4.324 0 1 HIAF COc1ccc(C2=NN(CCCCCCN(C)C)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26507433 ODTMPGUGTQXMBN-PMACEKPBSA-N 415.578 4.179 0 1 HIAF C[C@H](O)c1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 27527848 JZCHBJSHYLEUPN-KCTSRDHCSA-N 420.391 4.442 0 1 HIAF CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1cccc2ccccc12 29215149 WLEZHMPDCWLRGB-OFNKIYASSA-N 406.551 4.222 0 1 HIAF NCCCCCCNC(=O)c1cc2c3ccccc3n(Cc3ccccc3)c2cn1 35067674 NBZNMVZSVHDMLR-UHFFFAOYSA-N 400.526 4.487 0 1 HIAF COc1cc2occ(-c3cc(OC)c4c(c3OC)OC(C)(C)O4)c(=O)c2cc1OC 58583246 NTYIZOSCFJBMMJ-UHFFFAOYSA-N 414.410 4.002 0 1 HIAF Cc1c(CN2CCCc3ccccc32)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O 72142842 FGUPYKXPRUYTHT-UHFFFAOYSA-N 423.513 4.145 0 1 HIAF COc1cc2nc(NCCCn3ccnc3)nc(NCc3cccs3)c2cc1OC 82125082 BONGDPCIBOUXAR-UHFFFAOYSA-N 424.530 4.019 0 1 HIAF COCCC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 100636711 CSNKCYJNCXOAOT-BGYRXZFFSA-N 413.562 4.142 0 1 HIAF Cc1oc(-c2ccccc2)nc1Cc1cccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)c1 101454797 VECHOKOQWBGLST-OGAOHHHESA-N 407.466 4.247 0 1 HIAF Cc1cccc(-n2ncc3c2C(C)(C)CCN([C@H]2[C@H]4CC5C[C@@H]2C[C@@](O)(C5)C4)C3=O)c1 101668453 GDPNNZFTLYUMTF-QBYVCPELSA-N 419.569 4.244 0 1 HIAF O=C(NC[C@H](c1ccc(C2CC2)nc1)N1CCOCC1)c1cccc(Cl)c1Cl 207589267 QGUXMIQTJZBPNL-LJQANCHMSA-N 420.340 4.069 0 1 HIAF O=C(CSCc1nc2cc3c(cc2[nH]1)OCO3)Nc1ccc(C(F)(F)F)cc1 587113774 KWFGOCNWIYFTJV-UHFFFAOYSA-N 409.389 4.182 0 1 HIAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587223717 DPCTZKKELFFXPF-UHFFFAOYSA-N 406.364 4.080 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(Cc3ccccn3)CC2)[C@@H]1c1ccc(F)cc1 587345626 QJAVPNAETYPCBI-HSZRJFAPSA-N 418.468 4.320 0 1 HIAF COc1cccc2c1OC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356312 JHOXMYVINQMCQP-XUZZJYLKSA-N 406.409 4.273 0 1 HIAF COC(=O)c1ccc(-c2ccccc2-c2ccc3c(O)nc(O)nc3n2)cc1Cl 587368173 CVWWPTRJJCNCOI-UHFFFAOYSA-N 407.813 4.210 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)O2 587395773 OKBXZPHNMGNPCV-MWTRTKDXSA-N 400.519 4.481 0 1 HIAF CCOC(=O)C1CCN(c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)CC1 587397311 ZPUJTRXXHYJLLQ-QFIPXVFZSA-N 408.498 4.063 0 1 HIAF O=C1CC2(CCN([C@@H](C(=O)O)c3ccc(F)cc3)CC2)Oc2c1ccc1c2CCCC1 587505379 ILZIIZVMIVTDJN-JOCHJYFZSA-N 423.484 4.330 0 1 HIAF C[C@@]1(c2cc(Br)ccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540540 PEZUBLQFGXXXOV-PXNSSMCTSA-N 412.239 4.427 0 1 HIAF Cn1ccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587568938 GJYXAURYNJBTDB-URXFXBBRSA-N 416.408 4.170 0 1 HIAF CCc1ccc2c(c1)[C@@]1(CC(=O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607458 HEYVJXWZAGTWPH-XUZZJYLKSA-N 402.402 4.121 0 1 HIAF COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587805265 FEQGCHPCDAEQKR-MLCYQJTMSA-N 408.267 4.007 0 1 HIAF COc1ccc(-c2noc([C@@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)n2)cc1 962717481 UYHDCHNHGNUQKX-YWZLYKJASA-N 411.502 4.337 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@](Cc2ccccc2Cl)([C@H]2CCOC2)N1)C(F)(F)F 962767766 QXEPMOKMQAQUPP-LRQRDZAKSA-N 423.862 4.460 0 1 HIAF COCCOc1cc2c(cc1[C@@H]1c3ccsc3CCN1Cc1cccnc1)OCO2 962993514 JFWOZJKSYGKPGK-QHCPKHFHSA-N 424.522 4.045 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ccc(N2CCCCC2=O)cc1 963050499 CEUMGJNWSOMMNO-VWLOTQADSA-N 401.510 4.170 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1 1772614690 HRCKTAGTPSWGBL-QGZVFWFLSA-N 408.889 4.221 0 1 HIAF CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc21 1772642704 IGRYEDIMNMEBBU-UHFFFAOYSA-N 421.379 4.144 0 1 HIAF CCNC(=O)c1ccc(-c2c(C)nc3c(OCc4cccc(F)c4)cccn23)cn1 1911577447 CYXMAGJAHJICMH-UHFFFAOYSA-N 404.445 4.173 0 1 HIAF COc1cccc([C@H](c2ccc(O)c(OC)c2)[C@H](CO)c2ccc(O)c(OC)c2)c1 2356406873 JCCPWOFLCPSRGA-NTKDMRAZSA-N 410.466 4.032 0 1 HIAF CC=C(C)C(=O)OCC(=CC)C(=O)O[C@H](CC)c1cc(OC)c(OC)c(OC)c1 2356506808 KSPCZOVYRUGCQU-QGZVFWFLSA-N 406.475 4.162 0 1 HIAF C[C@]1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CON=C1c1cccc(Cl)c1 772440 ITYYLMHGZZYSEB-SFHVURJKSA-N 412.795 4.296 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1ccccc1F 4204659 QKOVVMBAWFEFMW-GGAORHGYSA-N 422.456 4.268 0 1 HIAF CC(C)=CCN(C)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 13802507 MZDPHJWJOIRIFO-UHFFFAOYSA-N 406.578 4.044 0 1 HIAF C[C@H]1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cc(F)cc21 28528140 AMUFJSCMOPQLMQ-HNNXBMFYSA-N 424.545 4.246 0 1 HIAF CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1 28572125 SUWUWYNHAIZHCH-OAQYLSRUSA-N 415.497 4.227 0 1 HIAF COc1ccc(Nc2snc(SCc3ccc(Cl)cc3)c2C(N)=O)cn1 36348951 OYVOITSEETVYOR-UHFFFAOYSA-N 406.920 4.335 0 1 HIAF Cc1cc(C(=O)Nc2cccc3cccnc23)ccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 62178800 UCLYABWWJWNQNB-NEAWWFDSSA-N 423.472 4.107 0 1 HIAF CC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4ccccc4)CC3)n2)c1C 72107535 MWPVVPNPUHSSMK-UHFFFAOYSA-N 402.502 4.266 0 1 HIAF CC[C@H]1CCCCN1c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 82066766 OAIZSJRQHJEGMJ-LPHOPBHVSA-N 413.522 4.032 0 1 HIAF O=C(Nc1ncc(-c2ccncc2)s1)[C@H](Cc1ccccc1)NCc1cncs1 96284443 GJOHVGHWKIFLND-SFHVURJKSA-N 421.551 4.001 0 1 HIAF O=C(c1ccncc1)n1nc(-c2ccc(O)cc2)cc1-c1cc2ccccc2oc1=O 103189278 TYVZUNOHYWUORN-UHFFFAOYSA-N 409.401 4.113 0 1 HIAF CNCC1CCN(c2ccc(Cl)cc2NC(=O)c2csc3cncnc23)CC1 113651666 OTHADYGENVEXOC-UHFFFAOYSA-N 415.950 4.033 0 1 HIAF Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Nc3ccccc3)CC2)c1C 117245763 GSBNFFLEHAKJCS-UHFFFAOYSA-N 401.514 4.038 0 1 HIAF CCOC(=O)c1cc2c(-c3cc(N)ccc3Oc3ccccc3)cn(C)c(=O)c2[nH]1 146400698 LRBCEURUHXHASZ-UHFFFAOYSA-N 403.438 4.085 0 1 HIAF O=S(=O)(c1ccc([C@@H]2CCOC2)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 147566730 HGZNQRRBJKLXNQ-CQSZACIVSA-N 417.914 4.069 0 1 HIAF Cc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)cc1 169299203 HCPMBDJDMRNPHJ-KVBOQDEDSA-N 402.560 4.148 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1 169717291 JTHIBRSUMPWUCR-UHFFFAOYSA-N 406.438 4.391 0 1 HIAF Cn1ncc2cccc(N3CCCN(Cc4csc(-c5ccccc5)n4)CC3)c21 205355424 KZOZGINZZQXYTM-UHFFFAOYSA-N 403.555 4.409 0 1 HIAF CCn1cnc2c(Nc3cccc(C(F)(F)F)c3)nc(N[C@H]3CC[C@H](O)CC3)nc21 253738378 QYBNTDWVGSUIRZ-CTYIDZIISA-N 420.439 4.324 0 1 HIAF CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)o1 299877044 GQVJCKBBXNGZDU-DQRNSDNCSA-N 415.486 4.383 0 1 HIAF O=c1cc(CO)c2ccc(OCc3ccc(CNCc4ccccc4)cc3)cc2o1 473135236 MRXZYTKUUZVUNY-UHFFFAOYSA-N 401.462 4.154 0 1 HIAF CCOc1ccccc1[C@@](N)(c1nc2c(Cl)c(Cl)cnc2[nH]1)C(F)(F)F 587093588 VIUZEYCGHLVCKC-OAHLLOKOSA-N 405.207 4.428 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149245 JARKJFVWJNWIOQ-FQEVSTJZSA-N 424.501 4.154 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587151963 JHIYUAZWJHBATK-GJZGRUSLSA-N 405.470 4.191 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587230603 IXTHMGWHDHRZKC-RYUDHWBXSA-N 403.832 4.272 0 1 HIAF COC(=O)c1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1Cl 587368425 JULVIJZJDRNVPH-UHFFFAOYSA-N 407.813 4.210 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3cc(C)c(C(=O)O)o3)cc1)O2 587403093 FGSNNAORVSEORI-FQEVSTJZSA-N 407.422 4.462 0 1 HIAF CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(CO2)CC(=O)c2ccc3c(c2O1)CCCC3 587519114 UQHKPHQPKUPNSE-RPWUZVMVSA-N 413.514 4.069 0 1 HIAF C[C@]1(c2sc(N)nc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558077 VBRZSHYMHLPTOI-XIKOKIGWSA-N 422.384 4.327 0 1 HIAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1c(Cl)ccc(F)c1Cl 587637266 GBLGBRXWXXCOKN-UHFFFAOYSA-N 410.184 4.330 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)n(C)n2)N1 587713253 MSSHXHKOKGSTCG-VXJOIVPMSA-N 406.221 4.138 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(C(F)F)N1 587714728 ALUUAXGJNKIUBG-VVVCHXIZSA-N 402.210 4.449 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)OCc2ccccc2)N1 587752247 DMWMHVNSGBFTMX-KPZWWZAWSA-N 407.283 4.090 0 1 HIAF O=C1NCCCCN(C(=O)/C=C/c2ccccc2)CCCOc2ccc(Cl)cc21 618017014 DVXUOCGWFRXFGG-FMIVXFBMSA-N 412.917 4.175 0 1 HIAF CC[C@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962899013 PYAWUFQPIGLKSI-OXJNMPFZSA-N 420.278 4.065 0 1 HIAF C[C@@]1(CC(=O)c2ccncc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949083 AVWWKANCFKCYCH-FQEVSTJZSA-N 404.432 4.240 0 1 HIAF COc1ccc([C@@]2(CC(F)(F)F)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963231561 NDKCQRXOAIHWEL-PZJWPPBQSA-N 416.399 4.038 0 1 HIAF Cc1c(O)ccc2c1[C@](C)(c1ccccc1OCc1ccccc1)N[C@H](C(=O)O)C2 963509378 MUMDPWXZNSGDQA-CPJSRVTESA-N 403.478 4.142 0 1 HIAF COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(SC)cc3)n2)cc1 1772573021 LZLNMHPWWOLFIG-UHFFFAOYSA-N 417.494 4.312 0 1 HIAF N=C1N[C@@](c2cccc(-c3cccnc3)c2)(C2CCCCC2)C(=O)N1C1CCOCC1 1772583104 HEYINMYLERBOCR-RUZDIDTESA-N 418.541 4.070 0 1 HIAF Cc1noc(C)c1-c1ccc2c(c1)[C@](N[C@@H](CO)C(C)C)(C1CCCCC1)C(=O)N2 1772592198 JCAGILJXSOSSRZ-XUZZJYLKSA-N 411.546 4.293 0 1 HIAF O=C1Nc2ccccc2/C1=C\c1cccc(OCc2cn(Cc3ccccc3)nn2)c1 1772603138 PIUGHXBCCYWASF-OEAKJJBVSA-N 408.461 4.398 0 1 HIAF Cn1c(CNC2(c3ccc(C(=O)O)cc3)COC2)cc2c(Cl)c(Cl)ccc21 1857584070 VSPUGVWMDNEHMO-UHFFFAOYSA-N 405.281 4.199 0 1 HIAF COc1ccc(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1OC 199391154 DFWPFNJGPTVMIR-UHFFFAOYSA-N 405.376 4.043 0 3 HIAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 769059 YOWPRYRBWSPSFS-QNWVGRARSA-N 420.896 4.282 0 1 HIAF COc1ccc(NC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc1 8583757 KNJGXMMKIBDPNM-UHFFFAOYSA-N 420.494 4.487 0 1 HIAF CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@H]1O3 13474837 OUVBYPZNWMJZAC-HSZRJFAPSA-N 406.482 4.365 0 1 HIAF COc1ccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c(OC)c1 13534074 YNOBLRNMHUJAER-UHFFFAOYSA-N 403.381 4.153 0 1 HIAF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1c1ccc(Br)cc1 13676256 SCXGZDPMWWSCTF-UHFFFAOYSA-N 407.267 4.449 0 1 HIAF Cc1nc2ccccc2n1C1CN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)C1 35983723 MSPLUIUYICJRLA-QFIPXVFZSA-N 402.542 4.249 0 1 HIAF COc1cccc(Nc2nccc(NC[C@H](O)c3ccc(C(F)(F)F)cc3)n2)c1 45227561 SMQOINVXZYUFSO-KRWDZBQOSA-N 404.392 4.393 0 1 HIAF COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccccc3)n2)c1 49050444 XKKWVWJLILGEDF-UHFFFAOYSA-N 412.467 4.042 0 1 HIAF O=S(=O)(Nc1ccc2[nH]c3ccncc3c2c1)c1ccc(OC(F)(F)F)cc1 64559567 YGRCVOUAJRIYOB-UHFFFAOYSA-N 407.373 4.416 0 1 HIAF O=C(c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CCC[C@H](CO)C1 82069406 JEBZYQOEGLBPDY-JTQLQIEISA-N 422.325 4.224 0 1 HIAF CO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@H]1c1cc(OC)c(OC)c(OC)c1 101833232 BUWMPMDFVIFXCD-PMIVHWTLSA-N 409.442 4.174 0 1 HIAF N[C@@H]1CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1 145527848 BERGLORGWPZLPW-MJGOQNOKSA-N 421.522 4.175 0 1 HIAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 210587142 IRRVONVFZZUAGM-UHFFFAOYSA-N 411.521 4.205 0 1 HIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cnc(OC(F)F)c(C)c1 215900547 MGVQTTHWUSUJOE-HNNXBMFYSA-N 406.429 4.262 0 1 HIAF CCCn1c(C(C)(C)C)cc(C(=O)N[C@H](CC(=O)O)c2ccc(OC)cc2)c1C 299858028 PQBPOBCLHYABRI-LJQANCHMSA-N 400.519 4.458 0 1 HIAF Cn1cc(-c2c[nH]c3ccc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc4)cc23)cn1 299866215 VJDXFFBSNLNWJD-QFIPXVFZSA-N 401.470 4.051 0 1 HIAF CC(C)c1cc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(O)c(C(C)C)c1 586896152 ICGMOMXISFJLOH-UHFFFAOYSA-N 401.532 4.433 0 1 HIAF Cc1cc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc2cc1F 586944189 NPNUZRARDMLUBG-UHFFFAOYSA-N 415.515 4.260 0 1 HIAF CCCS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CC1 586952260 GUGHKRTWVBWYEU-UHFFFAOYSA-N 409.861 4.154 0 1 HIAF Cc1ccc(-n2cnnc2SCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1Cl 586968327 QHKMXPZYMONSGI-UHFFFAOYSA-N 417.853 4.235 0 1 HIAF N[C@H](N=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985250 MFLZZKFBYMZVEP-QZTJIDSGSA-N 414.307 4.234 0 1 HIAF CC(C)COc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1Br 587249861 OHIGPODTPRSCFE-UHFFFAOYSA-N 418.291 4.231 0 1 HIAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 587328609 BAIIZUJMTPVFMG-GGAORHGYSA-N 408.356 4.234 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(CCC(=O)c1ccc(Cl)cc1)O2 587377056 GLGUSDGZTHUXRZ-JOCHJYFZSA-N 415.873 4.463 0 1 HIAF Nc1n[nH]cc1[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377520 RUBMLMBTKFTGDL-KNQAVFIVSA-N 421.453 4.201 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(I)=COc2ccccc21 587386604 KOTCRMSMXDBPNQ-SFHVURJKSA-N 419.218 4.107 0 1 HIAF CCCN(CCC)CCc1cccc2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 587401429 RAQRJYMAJUSPRM-RUZDIDTESA-N 421.541 4.055 0 1 HIAF COc1cccc([C@]2(c3ccc(C(=O)O)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587404277 WDFAHVBYPKADHJ-XMMPIXPASA-N 403.434 4.193 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(OC(F)(F)F)ccc21 587463893 DGAVCOKCULZTTO-IBGZPJMESA-N 407.344 4.056 0 1 HIAF C[C@]1(c2ccc(Br)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544389 KMWHIHBRFSPJGQ-YLJYHZDGSA-N 412.239 4.427 0 1 HIAF CN(C)Cc1c(-c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648914 JIAWBPFQIBAZTI-UHFFFAOYSA-N 407.333 4.063 0 1 HIAF Cc1nn(-c2ccncc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587764219 PDQTUDURXOZGLB-JEOXALJRSA-N 401.283 4.101 0 1 HIAF COCOc1ccc(OC)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587804271 DHRLFBVOWARZIU-JEOXALJRSA-N 410.283 4.203 0 1 HIAF COc1cccc([C@@]2(CC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587809947 SBCKOHCCFFMVQX-FKIZINRSSA-N 406.295 4.354 0 1 HIAF COc1cc2c(cc1OC)[C@]1([C@H]3CC[C@@H]1CN(C(=O)OC(C)(C)C)C3)N(C)[C@H](C)C2 962559402 BWAFXWWNSLOHOF-MUZNYLCMSA-N 416.562 4.052 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@H]3C1(C)CCN(C(=O)OC(C)(C)C)CC1 963037947 RDKDCXNVZYCHSL-NRFANRHFSA-N 411.546 4.467 0 1 HIAF COc1ccc(-c2cc(Cl)cc([C@H](CC(=O)O)c3nnc(C)o3)c2)c(OC)c1 1772600388 AIPJWKBGORUJER-KRWDZBQOSA-N 402.834 4.322 0 1 HIAF Cn1c(C[S@](=O)c2ccc(F)cc2)c(C(=O)OC(C)(C)C)c2cc(O)ccc21 1772610503 VMNRUZBDDILWPM-NDEPHWFRSA-N 403.475 4.286 0 1 HIAF C[C@@H]1CCCN1[C@H]1CC[C@H](c2ccc(N3CCC4(CCNCC4)C3=O)c(F)c2)CC1 1772635654 LZAFNRKWZXDHQV-SFHLNBCPSA-N 413.581 4.443 0 1 HIAF NCc1cc(Oc2cccc(C(=O)NCc3ccc(F)cc3)c2)nc(C(F)(F)F)c1 1857557133 GDSLUYKCPYECNN-UHFFFAOYSA-N 419.378 4.421 0 1 HIAF O=C(NCc1ccco1)[C@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 13478281 HQBLJGKDDOPGBS-CQSZACIVSA-N 406.282 4.127 0 3 HIAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049424 QDSHOAGOOITOGH-CTNGQTDRSA-N 417.912 4.029 0 1 HIAF O=S1(=O)c2cnccc2N=C(NCc2cccc3ccccc23)N1c1ccccc1 5934364 RWHMXTBQLHCYTM-UHFFFAOYSA-N 414.490 4.221 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@]1(C)Oc1ccc(C(=O)O)cc1 26489132 SCWUOZFIXPMGMZ-JOCHJYFZSA-N 410.470 4.038 0 1 HIAF CC(C)NC[C@@H](O)COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 27102384 SJDRDAXIAHYUCY-OAHLLOKOSA-N 421.415 4.217 0 1 HIAF COC(=O)CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)C)c2)[nH]1 40951290 WWEFMDIBKWFKNZ-UHFFFAOYSA-N 400.479 4.363 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1C[C@@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 40952490 GDBHWWGVCRIESX-OMEQTDIISA-N 406.563 4.255 0 1 HIAF O=c1cc(NCCCCNCc2cccc(Br)c2)[nH]c2ccccc12 45168058 DVYHJXLCIOWWSI-UHFFFAOYSA-N 400.320 4.273 0 1 HIAF COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(SC(F)(F)F)c2)cc1 45194135 YUTOIFCTFXRSRR-SCLBCKFNSA-N 413.461 4.339 0 1 HIAF COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 66114376 HBVRHZDJSGTARE-GOSISDBHSA-N 404.388 4.419 0 1 HIAF FC(F)(F)c1cc(-c2nc(N3CCc4[nH]ncc4C3)no2)cc(C(F)(F)F)c1 73196785 FGMRXSXVXNSIOT-UHFFFAOYSA-N 403.286 4.060 0 1 HIAF O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(N2CCCC2)nc1-c1ccco1 82142932 CBTYUCVZZVGXSJ-UHFFFAOYSA-N 416.403 4.286 0 1 HIAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 82192866 AKFJNRGYGYALQC-KBTUKFDYSA-N 424.516 4.155 0 1 HIAF O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 116828599 WBFFBCACAZRULE-NTKDMRAZSA-N 406.489 4.258 0 1 HIAF Cc1ccc(C(=O)NC2(C)COC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144399572 TUWVOYNQIYKUSZ-UHFFFAOYSA-N 415.493 4.077 0 1 HIAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1cccc(C(F)(F)F)c1 203532399 ODVOAJCAFSXIAS-ICSRJNTNSA-N 408.372 4.104 0 1 HIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H](C)c3ccccn3)c2cn1)c1ccccc1 210788838 ZHAUCJMQNQQYBP-HUUCEWRRSA-N 401.474 4.409 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 299856381 BRJRJWOWPFJJDT-GMAHTHKFSA-N 421.497 4.001 0 1 HIAF O=C(O)c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1F 586999185 UTOSQFRYLSOGSQ-OWOJBTEDSA-N 405.179 4.062 0 1 HIAF FC(F)(F)c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cn1 587004139 ZUCUWEVWSHCISI-UHFFFAOYSA-N 410.197 4.332 0 1 HIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587033952 CVCXGDNCFIGVOF-CYBMUJFWSA-N 420.494 4.380 0 1 HIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C2CC2)n1 587230635 VSKADCGBNODHAO-LJQANCHMSA-N 422.489 4.251 0 1 HIAF COCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587377594 NOZAUULESBOXRM-LJQANCHMSA-N 420.303 4.462 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)nn1[C@H]1CCCCO1)[C@@H](C2)C3=O 587422028 NFMDWWNZBRRMPX-JOKNJTHLSA-N 408.376 4.098 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(F)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422934 HBCYBBNZALFAIW-SZNDQCEHSA-N 404.821 4.084 0 1 HIAF COc1cccc([C@]2(c3c[nH]c4ncccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441255 SBEBBCOVUORMJB-CLOONOSVSA-N 412.445 4.271 0 1 HIAF CCO[C@H](C)c1ccc([C@]2(CN)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587579788 QCDQMPHSUNVTPP-LREARKGRSA-N 419.477 4.306 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3cccn3)cc2)N1 587762639 YTFPOEKZIJDELS-ZUOKHONESA-N 400.295 4.457 0 1 HIAF CSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(SC)n1 587847262 TUPGQZOYODPNPN-CLAHSXSESA-N 414.369 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)cs2)N1 587853053 OQLMCZGMBLDFLE-QTTZVWFDSA-N 406.118 4.431 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(C)(=O)=O)cc1 587867238 YIDVMWVLHLEQAB-UHFFFAOYSA-N 410.417 4.360 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccccc1F 587868629 QGLZXINNGNZPNR-LLVKDONJSA-N 409.339 4.219 0 1 HIAF Cc1c(C(=O)Nc2ccc(Oc3cc[nH]c4nccc3-4)cc2)nnn1-c1ccccc1 653721432 WHAYQOVMFDMZRW-UHFFFAOYSA-N 410.437 4.448 0 1 HIAF CCOC(=O)[C@@H](Sc1nc(C)nc2c1sc(=S)n2-c1ccccc1)C(C)=O 957877285 MDIBJEYQGBCGEZ-ZDUSSCGKSA-N 419.553 4.133 0 1 HIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3csc(Br)c3)N12 962625055 AVGNXUWWWVWKQS-VQIMIIECSA-N 417.328 4.247 0 1 HIAF COc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1C(C)C 1857560194 PSSPECPNSFKQNV-UHFFFAOYSA-N 408.608 4.012 0 1 HIAF Cc1cc(C(=O)Nc2cccc(C(=O)O)c2)n(Cc2csc(N3CCCCC3)n2)c1 1857601495 FLSLQRHKMBTMOZ-UHFFFAOYSA-N 424.526 4.242 0 1 HIAF CC(C)=CCc1c(O)c(Cc2c(O)c(C)c(C)oc2=O)c(O)c(C(=O)C(C)C)c1O 1857608832 PWZFWLUGEQTAEL-UHFFFAOYSA-N 416.470 4.017 0 1 HIAF O=C1CN(Cc2ccncc2)[C@@H](c2ccccc2)c2cc(Br)ccc2N1 1911581580 KTYUOJGCRZDTGR-NRFANRHFSA-N 408.299 4.388 0 1 HIAF Cc1ccc(NC(=O)NC(=O)N(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 4031954 MMKRHEPXQPYBAA-UHFFFAOYSA-N 415.515 4.260 0 3 HIAF COCc1ccc(C(=O)N2CCC(CCC(=O)Nc3cccc(C)c3)CC2)s1 12713753 NWRSIBGEQXKYAH-UHFFFAOYSA-N 400.544 4.474 0 3 HIAF COc1ccc(CC2=C(c3ccccc3)C(=O)O[C@]2(O)c2ccc(OC)cc2)cc1 13740965 GCLJDQQEPIRTNF-RUZDIDTESA-N 402.446 4.102 0 1 HIAF O=C(O)C[C@@](O)(CSCCCCCc1ccccc1-c1ccccc1)C(=O)O 13758289 UYSRTIVREXCPKD-JOCHJYFZSA-N 402.512 4.090 0 1 HIAF O[C@@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12 26976072 KEVOVRYMDHRZOO-LJQANCHMSA-N 407.485 4.240 0 1 HIAF CCOC(=O)CCc1ccc2c(c1)C[C@H](NC[C@@H](O)c1cccc(Cl)c1)CC2 29564121 UGZLTFCKIQRBBC-FGZHOGPDSA-N 401.934 4.016 0 1 HIAF CN1CCN(Cc2cc(-c3ccc4[nH]c(=O)oc4c3)co2)[C@@H](c2ccc(F)cc2)C1 34809190 QCPQMQBXFGUSQZ-OAQYLSRUSA-N 407.445 4.009 0 1 HIAF COC(=O)c1ccc2c(c1)nc(-c1ccc(F)c(N)c1)n2CCc1ccc(OC)cc1 43068291 VRNGBGBGZMXOCL-UHFFFAOYSA-N 419.456 4.463 0 1 HIAF O=S(=O)(Cc1ccccc1)N[C@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1 73162796 CVQPIJQGJBNBPN-HXUWFJFHSA-N 423.469 4.085 0 1 HIAF COc1ccc([S@](=O)c2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 73315823 BKUNIFXFINDIKU-GDLZYMKVSA-N 424.909 4.274 0 1 HIAF C[C@H](CNc1ncnc2c1nc(-c1ccoc1)n2C[C@@H]1CCCO1)c1ccccc1 82188167 ZWBZYMKQQPUUAI-APWZRJJASA-N 403.486 4.481 0 1 HIAF C[C@H](c1ccccc1)N1C[C@H]2[C@H](NC(=O)[C@](O)(c3ccccc3)C3CCCCC3)[C@H]2C1 101141665 LCDQNPJMKVBLRS-OAUYJGCHSA-N 418.581 4.262 0 1 HIAF Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(C(F)(F)F)nc4)c3C2)nc1 114994504 ICLOKAIXSUXTKZ-CQSZACIVSA-N 414.435 4.330 0 1 HIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc(OCC(F)F)cc1 166333901 IWXLLWPXBZDXRN-YOEHRIQHSA-N 405.441 4.457 0 1 HIAF Oc1c2c(c(O)n1-c1ccc(I)c(Cl)c1)[C@@H]1CC[C@@H]2O1 169727201 WXMHIDODJHKFEP-UWVGGRQHSA-N 403.603 4.053 0 1 HIAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)C1(O)CC1 261109295 HUVWCUMZGKOSQX-KESTWPANSA-N 410.558 4.202 0 1 HIAF COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](Nc1ccc(C(F)(F)F)cn1)C2 473170854 RRWOGIBMESBRRG-RCBQFDQVSA-N 409.383 4.106 0 1 HIAF Cc1nc2[nH]c(CCNc3ccc(Br)cc3)nc2cc1Br 586995186 FPQCWSRVDVVPAI-UHFFFAOYSA-N 410.113 4.446 0 1 HIAF CCOc1ccccc1[C@@](N)(c1nc2cc(C(F)(F)F)ncc2[nH]1)C(F)(F)F 587091565 FXEFUQDCWFUPBC-OAHLLOKOSA-N 404.314 4.140 0 1 HIAF COC(=O)C1C[C@@H]2CC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354087 TXSGTSYBFGIURV-ATKXJZHDSA-N 410.441 4.238 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)c(F)c(O)c(F)c1F 587554991 JZVIQIRNDGIWFD-ODXCJYRJSA-N 406.287 4.357 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587587986 IXTJXGKKEQTAQO-NFBKMPQASA-N 415.401 4.363 0 1 HIAF Cc1[nH]c2ccccc2c1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590439 SFKKDALKNUIMSQ-YKSBVNFPSA-N 415.401 4.124 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c(F)c(O)c(F)c2F)N1 587723901 ZCOYTGGQOSHEOQ-MQWCLQQTSA-N 408.164 4.474 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587805492 HECCOGXWPYUZIM-XCLFUZPHSA-N 406.295 4.124 0 1 HIAF CC1=C(OC(=O)C(C)C)[C@]2(C=CO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587831331 IBGKERQAHHLLFS-JEOXALJRSA-N 410.283 4.292 0 1 HIAF O=C(Nc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)c1cc(-c2ccco2)on1 621476541 QVCIEXALCZGVFJ-UHFFFAOYSA-N 402.332 4.451 0 1 HIAF CCOC(=O)[C@]1(C2CCCC2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962637645 OSOANMZRTFDLDT-BVAGGSTKSA-N 404.554 4.382 0 1 HIAF CCCc1ccc([C@@]2(c3cccc(OC)n3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962917413 GTXQZEVGLAYGSO-CPJSRVTESA-N 420.484 4.073 0 1 HIAF COc1cc(-c2ccccc2)c([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1OC 962920970 NLBTVLLJFSLBBK-NZQKXSOJSA-N 407.441 4.198 0 1 HIAF CC(=O)C[C@]1(c2ccsc2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184082 PXPBZQMOOYELGH-NVXWUHKLSA-N 417.836 4.242 0 1 HIAF COC(=O)c1ccc2c(I)cc(C(=O)c3ccccc3)c-2cc1 1857652921 OQNSOQGHPNCHGB-UHFFFAOYSA-N 416.214 4.414 0 1 HIAF COc1cc2c(Nc3cccc(Br)c3F)ncnc2c(OC)c1OC 1857752413 NDQDLDKFZHWMIB-UHFFFAOYSA-N 408.227 4.301 0 1 HIAF CC[C@H]1Oc2c(Br)cc(Br)cc2[C@H]2CC(C)=NN2C1=O 1857758322 NYLGYTWZKHXNMW-VXGBXAGGSA-N 402.086 4.032 0 1 HIAF C[C@@H](Cc1nc(=Nc2ccc(Cl)cc2)s[nH]1)NC1CC(C)(C)NC(C)(C)C1 1857765165 QCJZDRYTBRNZRB-ZDUSSCGKSA-N 408.015 4.187 0 1 HIAF CC[C@H](C)C=C(C)C=CC1=CC2=C(Cl)[C@H](O)[C@]3(C)OC(=O)[C@H](C(C)=O)[C@H]3C2=CO1 2356444831 KLSDJLUKJAUCQO-PXRSFJBESA-N 418.917 4.337 0 1 HIAF CCCC[C@H](CC1=CCN=C1)[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 2356818242 DRXKBLFMRWTLGS-NFBKMPQASA-N 415.530 4.432 0 1 HIAF COc1cccc(CNc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1OC 61895780 SKJQGGUNVLCUHY-UHFFFAOYSA-N 407.495 4.291 0 3 HIAF COc1ccc(-c2cnn(C(C)(C)C(=O)Nc3cnc4ccccc4c3)c2)cc1OC 205227892 QHRKPTGYLWFIOA-UHFFFAOYSA-N 416.481 4.489 0 3 HIAF CN(C)S(=O)(=O)c1ccc(Sc2cc([C@]3(C)COC(C)(C)O3)cs2)cc1 13743615 GQDIRQLYTRXMOS-SFHVURJKSA-N 413.586 4.148 0 1 HIAF COc1cc([C@@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1O 14435635 CAUANPLJFMVCHO-SNLXXHADSA-N 404.459 4.217 0 1 HIAF endogenous,in-man Brc1cc2c(cc1Cc1cc3c(cc1Br)OCO3)OCO2 40981158 OFEMBEHRAJWDFA-UHFFFAOYSA-N 414.049 4.260 0 1 HIAF COC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3c2)CC1 43122973 ZOGJGKBMLNMOAM-UHFFFAOYSA-N 410.558 4.342 0 1 HIAF NC(=O)c1c(C(F)(F)F)cc(-c2ccccc2)c2c1N=C(c1ccco1)N1CCN=C21 64437082 LKIXCHONORKNQC-UHFFFAOYSA-N 424.382 4.218 0 1 HIAF C[C@H](CNC(=O)Cc1c(F)ccc(F)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 66077648 NCFMLEOQTUZOKH-CYBMUJFWSA-N 414.468 4.046 0 1 HIAF CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(C)cc1)S2 95555195 GAXDNYTWZRXOEK-CVHFWEDTSA-N 421.566 4.294 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cc(N)ccc1OC(F)F 101724212 RRHOGZCQDLRHDJ-PQMNFKMDSA-N 410.417 4.072 0 1 HIAF Cc1c(Cc2ccccc2)nnc(C2CCN(c3cnc(C(C)(C)O)cn3)CC2)c1C 117288498 WNZFNQMJGGDSLY-UHFFFAOYSA-N 417.557 4.086 0 1 HIAF C=C(Br)C(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2)cc1 169348584 MXBLAKOVPHJAEX-LFYBBSHMSA-N 401.260 4.194 0 1 HIAF CC(C)c1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 169687602 YELGSQQDYSUPJV-DHIUTWEWSA-N 412.489 4.357 0 1 HIAF Cc1ccc2ncc(C(=O)Nc3cc(-c4noc(C5CC(F)C5)n4)ccc3C)n2c1 206117605 NCSAWLWVPXOKBG-UHFFFAOYSA-N 405.433 4.469 0 1 HIAF CC(C)(C)c1cc(F)c2c(=O)n(Cc3ccc(-c4cc[nH]c(=O)c4)cc3F)ncc2c1 209440107 MZHGUVIVLIVZQD-UHFFFAOYSA-N 421.447 4.376 0 1 HIAF O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3)nccc2c1 225116841 RXJSHHDINWUIPR-UHFFFAOYSA-N 402.888 4.208 0 1 HIAF O=C1C[C@H](c2coc3ccccc3c2=O)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1 299845569 IDRNOGGTOOLXSI-YPAWHYETSA-N 402.494 4.167 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@H](O)C3CCOCC3)[nH]c12 586914183 VVSZSULEHAZWON-GOSISDBHSA-N 419.403 4.294 0 1 HIAF Clc1ncc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc-2[nH]1 587020609 DIYNDWWOENEXMQ-UHFFFAOYSA-N 405.874 4.887 0 1 HIAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 587076784 OHTPTNBSPOOYQM-UHFFFAOYSA-N 420.900 4.483 0 1 HIAF CN(C)C(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587080515 FIYWMKWXPNNXDO-UHFFFAOYSA-N 416.872 4.295 0 1 HIAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cccc(F)c2[nH]1 587106983 FLGUBSGIOKECLR-AWEZNQCLSA-N 413.396 4.247 0 1 HIAF CCOC(=O)c1cnn(-c2ccc(-c3nc4ccncc4[nH]3)cc2)c1C(F)(F)F 587115286 RLCQHSHSCAXDHZ-UHFFFAOYSA-N 401.348 4.006 0 1 HIAF CCCc1nc(-c2nc3nc(Br)ccc3[nH]2)nn1-c1ccccc1F 587155291 DGKZAJHNUNLVEZ-UHFFFAOYSA-N 401.243 4.060 0 1 HIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(Br)cnc(Cl)c2[nH]1 587174878 NFBAPZJBRDZTFV-NSHDSACASA-N 408.662 4.237 0 1 HIAF CN(C)CCOc1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1 587241701 HJPLMDBCBCGPMP-UHFFFAOYSA-N 412.490 4.223 0 1 HIAF COC(=O)C[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522060 DTDZONDRSWHNCS-DEOSSOPVSA-N 410.466 4.006 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 587552903 SYISIJFHPOMQCQ-XLIONFOSSA-N 421.840 4.339 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccncc2)N1 587763129 IFQLYKMWPRGIOQ-NSPYISDASA-N 401.283 4.007 0 1 HIAF COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587809532 QYAAKKXBIJGRML-FKIZINRSSA-N 422.294 4.239 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(CC[C@@H](C)CC(=O)O)[nH]c4c3)o2)cc1 587963473 XPJNQDNVRPUXMZ-CYBMUJFWSA-N 406.442 4.332 0 1 HIAF Cc1nc(C2CC2)sc1[C@]1(C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962623050 BEUWVLNBVUADRP-KZULUSFZSA-N 412.433 4.090 0 1 HIAF COc1cccc2cc3c(nc12)[C@](C)(COc1cccc(Br)c1)NCC3 963044847 DWDIERAGYUOPAX-NRFANRHFSA-N 413.315 4.446 0 1 HIAF CN1CCc2c(Br)cccc2C12CC1(CN(C(=O)OC(C)(C)C)C1)C2 963270383 OSXGGQRRARIDNM-UHFFFAOYSA-N 407.352 4.163 0 1 HIAF Cc1ccccc1OCc1cn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nn1 1857534097 GCLSRJJXNARLRZ-UHFFFAOYSA-N 423.480 4.061 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]21)[C@H](OC(C)=O)C1=C(C)C(=O)O[C@@H]1C3 2356480385 AMSYBMMUEQADOI-QXASVXAKSA-N 416.514 4.030 0 1 HIAF CCn1c(C(=O)N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)cc2sccc21 4143314 WCWAVFAPFPKZMA-IBGZPJMESA-N 423.582 4.324 0 3 HIAF CCNc1ccc(OCc2ccnc3c2NC(=O)c2cccnc2N3C2CC2)cc1 5843617 IXGCBTOXTADCJH-UHFFFAOYSA-N 401.470 4.354 0 1 HIAF O=C(Cn1c(=O)n(Cc2ccccc2)c2ccccc21)c1ccc(Br)cc1 26729673 MCALRVQAVVGLHP-UHFFFAOYSA-N 421.294 4.497 0 1 HIAF CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(OC)cc2)CC1 28822972 GQSKSRBQNNHZCY-UHFFFAOYSA-N 419.525 4.478 0 1 HIAF C[C@H]1CC[C@@H](C)N1C(=O)c1coc(-c2ccc(CNC(=O)Cc3ccccc3)cc2)n1 40762538 GCWWAWMPPGAQJB-HDICACEKSA-N 417.509 4.214 0 1 HIAF Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CC[C@]1(CCc2ccccc21)O3 40934435 BNCOHUOAADWPNX-VWLOTQADSA-N 401.510 4.354 0 1 HIAF CCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C)c(C)cc2O3)cc2cn[nH]c12 49126361 HAQUGOAYIOFJRP-UHFFFAOYSA-N 417.509 4.382 0 1 HIAF COc1cc([C@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc(OC)c1OC 71282339 FPHZMPVWFHHDKD-GOSISDBHSA-N 414.454 4.339 0 1 HIAF Cc1cccnc1-n1nc(C)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O 73295408 DACDBRYFJUJEAA-LJQANCHMSA-N 418.541 4.165 0 1 HIAF CCN(C)c1ncc(-c2nc(C)c(C)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82167331 STLVXVIRVJHUCY-UHFFFAOYSA-N 414.531 4.366 0 1 HIAF CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2CCCN1CCCC1=O 82186970 KBRMKQGEZRCMRI-UHFFFAOYSA-N 400.571 4.030 0 1 HIAF COc1cc(C)ccc1COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C 117402969 QAOPHRIHKNANPQ-UHFFFAOYSA-N 407.510 4.319 0 1 HIAF Cc1c(Br)ccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C 141545428 BRXAIWWDESPYDF-UHFFFAOYSA-N 402.701 4.430 0 1 HIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3C[C@](C)(C(F)F)Oc4ccccc43)cccc21 145686728 PUGLLHTUPSOYJY-OPAMFIHVSA-N 413.424 4.208 0 1 HIAF CN(C(=O)c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1)c1ccc(Cl)cc1 167390583 CVGVSWYXRODYIS-UHFFFAOYSA-N 404.857 4.259 0 1 HIAF COC(=O)[C@@H]1[C@@H](c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccccc2)[C@H]1C 169347087 ZPWSMNJWLWWFPP-DOPJRALCSA-N 406.404 4.150 0 1 HIAF O=S(=O)(c1ccc(Cl)cc1)c1cnc2cc(Cl)ccc2c1N1CCOCC1 201539058 OZFUEMQWAQPQBL-UHFFFAOYSA-N 423.321 4.211 0 1 HIAF Cc1ncc2ccc(-c3cccc(OC[C@@H](O)CN4CCc5ccccc5C4)c3)cn12 218399057 KXXZKVYXBFLEEU-VWLOTQADSA-N 413.521 4.108 0 1 HIAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]1Oc1ccccc1 587600088 KVEJVZSSTYPVGP-KZKYLIHBSA-N 418.445 4.349 0 1 HIAF C[C@@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610088 PMAXMISAPLLBLY-DIUBRUIHSA-N 406.478 4.444 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)nc2)N1 587681452 LBCMMSNHCHKHAQ-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(OC(F)F)c1 587867703 CJEMETFHMNBOCY-UHFFFAOYSA-N 413.302 4.262 0 1 HIAF CC(C)Cc1nn(-c2nccs2)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 1772631244 RYPPHWSEHYREIE-UHFFFAOYSA-N 408.449 4.476 0 1 HIAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1Cl 1857539331 AWBPGGPYBDLIMO-DEOSSOPVSA-N 422.956 4.439 0 1 HIAF COc1ccc(-c2nc(Cl)cc(Nc3ccc(NC(=O)CN(C)C)cc3)n2)cc1 1857768137 YCVWLQUUMLQUTQ-UHFFFAOYSA-N 411.893 4.049 0 1 HIAF CC=C(C)C(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@](C)(C(=O)O)[C@@H](O)CC[C@]1(C)[C@@H]3CC2 2356772766 IALKHVRHBAMIIV-ZJSNTRICSA-N 416.558 4.499 0 1 HIAF COCCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F 2483314 LBYJXFVILPUUDX-UHFFFAOYSA-N 413.287 4.307 0 1 HIAF O=C(N[C@@H](Cc1ccccc1)c1nc2ccsc2c(=O)o1)OCc1ccccc1 3633115 ZECMHZNEFXHGHV-SFHVURJKSA-N 406.463 4.460 0 1 HIAF O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 11663380 CTVCRYOBOTXHKG-IBGZPJMESA-N 409.489 4.321 0 1 HIAF O=C(Nc1nc2c(s1)CCCC2)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2 13123782 OOIIANIFWVIHLY-RISCZKNCSA-N 411.453 4.168 0 1 HIAF c1ccc(-c2nn3c(c2-c2ccc4ncn(CCCN5CCCC5)c4c2)CCC3)nc1 13684190 MRWVGMSSTRXBOX-UHFFFAOYSA-N 412.541 4.394 0 1 HIAF C[C@H]1CCC[C@H](C)N1CCCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O 13733908 JSCQBRSCYBBBBD-SFTDATJTSA-N 404.554 4.385 0 1 HIAF CCCCOc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2c[nH]cn2)cc1 26287056 JETVEYBHTCPFMB-UHFFFAOYSA-N 419.572 4.084 0 1 HIAF O[C@H]1CCCC[C@H]1N1CCC(CCCC2CCN([C@@H]3CCCC[C@H]3O)CC2)CC1 28238042 OTKJKWJZVZDXKV-VPBXCIAMSA-N 406.655 4.188 0 1 HIAF CC1=C(C(=O)O)[C@@H](c2cccc(Cl)c2)C(C(=O)NC/C=C/c2ccccc2)=C(C)N1 28568089 CQONRXCYBUXUES-FNNXTJRKSA-N 422.912 4.489 0 1 HIAF CCN(CC)C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](N(C)C)C3)cc2)cc1 28760834 WLXGJKHCMBPMMD-DEOSSOPVSA-N 423.601 4.240 0 1 HIAF O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3CCc3ccccc31)CC2 28886115 CYUOYAHXHKYGLA-UHFFFAOYSA-N 423.560 4.303 0 1 HIAF COc1ccc2ccc(NCCCCN3CCN(c4ccccc4OC)CC3)nc2c1 29135291 DQPJFBDJGHOLKV-UHFFFAOYSA-N 420.557 4.266 0 1 HIAF Cn1cc2c(n1)CCc1c-2c2c(c3c1[nH]c1ccc([C@H]4CCCCO4)cc13)CNC2=O 49035202 PACMCHVNXJZGFE-HXUWFJFHSA-N 412.493 4.305 0 1 HIAF CC(=O)Nc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 49112726 RXBPOECJGWJGFO-MXXWWZHRSA-N 408.457 4.042 0 1 HIAF Cn1cc(Cl)nc(N2CCC(Oc3cc(C(F)(F)F)ccc3Cl)CC2)c1=O 72317671 IQUTVVVWNVSYSB-UHFFFAOYSA-N 422.234 4.154 0 1 HIAF COCCNc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1 73170031 ATVVWCUBVDUYSI-UHFFFAOYSA-N 406.364 4.066 0 1 HIAF Cc1ccc(NC(=O)NCc2cccc(NC(=O)c3cccc4onc(N)c34)c2)cc1 84727133 GTZZCMNHEPBQEO-UHFFFAOYSA-N 415.453 4.292 0 1 HIAF CN1CCc2cc(Cl)c(O)cc2[C@H](c2ccc([125I])cc2)C1 101490153 SFEBAZSWFKLMDP-RRHVOAMRSA-N 411.687 4.270 0 1 HIAF CCS(=O)(=O)N(Cc1ccnc(F)c1)c1sc2ccccc2c1C(C)(C)O 115233566 JVVMVBQSFUYBBJ-UHFFFAOYSA-N 408.520 4.019 0 1 HIAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C(F)(F)F 169008733 KMJHJQFJPSDYJD-MAEOIBBWSA-N 424.507 4.428 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 586887026 RVBSZIKFRSPKMT-GRYCIOLGSA-N 403.276 4.141 0 1 HIAF Clc1ccc(-c2nnc(SCc3nc4cncnc4[nH]3)n2Cc2ccco2)cc1 586965986 YDLLRZZJQKHZBJ-UHFFFAOYSA-N 423.889 4.198 0 1 HIAF Brc1ccc([C@@H](c2nc3cc4c(cc3[nH]2)OCO4)N2CCCC2)cc1 586984528 GNDWYIKDWDZGKI-SFHVURJKSA-N 400.276 4.239 0 1 HIAF O=c1c(-c2nc3c(Cl)cncc3[nH]2)cc(Br)cn1Cc1ccccc1 587006515 MEIMPPAXNBHRIL-UHFFFAOYSA-N 415.678 4.251 0 1 HIAF Fc1cnc(Br)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587006627 KPPZDXZNADXLGT-UHFFFAOYSA-N 411.032 4.165 0 1 HIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587044009 XHSWQILLQRZASJ-SNVBAGLBSA-N 408.396 4.232 0 1 HIAF Clc1cnn(COc2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)c1 587082285 MZUSPJHUSVVRCX-UHFFFAOYSA-N 404.655 4.274 0 1 HIAF COc1ccc(O)c(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 587107768 VNUNYWFVYYTPOU-UHFFFAOYSA-N 411.413 4.455 0 1 HIAF Oc1nc(S)nc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159433 PTLYQTOKERWIMX-AWEZNQCLSA-N 402.838 4.308 0 1 HIAF Nc1ccc(-c2ccc3nc([C@H](N)Cc4c[nH]c5ccc(F)cc45)[nH]c3c2)cc1N 587174124 FFAMDYNLXGXHTM-LJQANCHMSA-N 400.461 4.257 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)c(F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239632 MEEGBPXFEMNWRV-VQDICGIKSA-N 407.461 4.396 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2[C@@H](C(=O)O)NC[C@@H]2CC3)c1 587362814 LAAMNRAOUGYJHX-WRPOGVCQSA-N 414.461 4.359 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3ccc(Br)cc3c1=O)O2 587373326 UCXLQJUEWWUKDD-KRWDZBQOSA-N 400.228 4.153 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 587486951 NHFDWLLHVHCEHE-JCNMPKRYSA-N 421.493 4.480 0 1 HIAF Nc1ncc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545161 GTUKOFSICJKIET-QAPCUYQASA-N 402.328 4.091 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1N1CCOCC1 587556850 KMUIJTICNKWRGO-URXFXBBRSA-N 421.424 4.071 0 1 HIAF COC(=O)c1[nH]c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587590284 SDRRBWHVHRYVCG-WZONZLPQSA-N 407.422 4.001 0 1 HIAF COc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598158 AUYQQOKDBCYQKM-XUZZJYLKSA-N 420.417 4.123 0 1 HIAF CC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587710886 UWWOEJQXUKCEPV-UHLUBPPHSA-N 418.175 4.494 0 1 HIAF CCn1c(OCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1 653725027 NOQXGINUCHHZNK-UHFFFAOYSA-N 412.493 4.351 0 1 HIAF Cc1nc(C2CC2)sc1[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962623051 BEUWVLNBVUADRP-SGTLLEGYSA-N 412.433 4.090 0 1 HIAF CCOC(=O)[C@]1(c2ccc(OC(C)=O)cc2)NCCc2cc(-c3ccccc3)ccc21 962671285 UCFHZTXRBMDZMH-AREMUKBSSA-N 415.489 4.231 0 1 HIAF COc1cc([C@@H]2NCCc3c2c(C(C)C)nn3C)ccc1OCc1csc(C)n1 962921221 SJVFEMNBEOCJDK-QFIPXVFZSA-N 412.559 4.131 0 1 HIAF O=C(O)C[C@@H]1COc2cc(OCc3cn(-c4c(Cl)cccc4Cl)nn3)ccc21 1857569368 OJEJWGKBZYRATO-LLVKDONJSA-N 420.252 4.104 0 1 HIAF Fc1ccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1 1857648578 JIJUDABPAABLQY-UHFFFAOYSA-N 402.355 4.131 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 767112 HYVOCIKAAIMKKV-MDTJBUOBSA-N 408.542 4.425 0 1 HIAF Clc1ccc(C(n2cc(Br)cn2)n2cc(Br)cn2)cc1 5890454 XMKBCOCUWAOWQG-UHFFFAOYSA-N 416.504 4.353 0 1 HIAF CCC(C)(C)C(=O)C(=O)N1[C@H](C(=O)SCCCc2ccccc2)[C@H]2CC[C@@H]1C2 13554292 OBUILUCOHWRGAN-OTWHNJEPSA-N 401.572 4.264 0 1 HIAF COc1ccccc1CNC(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C 13742623 RPNSLZSITFBVPE-UHFFFAOYSA-N 412.489 4.453 0 1 HIAF COc1c2c(cc3oc(=O)c(-c4ccc5c(c4)OCO5)c(OC)c13)OC(C)(C)C=C2 14687505 OJMVWQKOYQXIJO-UHFFFAOYSA-N 408.406 4.390 0 1 HIAF biogenic C[C@H](NC(=O)N1C(=O)C[C@]1(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1 26376797 FOSUHQAUDWLEAC-BXKMTCNYSA-N 408.498 4.013 0 1 HIAF O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCn2c(-c3ccccc3)cnc2C1 29069775 AZTSYZUNKYTXOA-UHFFFAOYSA-N 405.401 4.013 0 1 HIAF CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(C)(C)O)C/C=C(/CO)CC[C@@H]2O[C@]21C 32303239 ISSYTMWXBGIZDF-XWMBFTBISA-N 418.574 4.404 0 1 HIAF biogenic,in-vitro CCOP(=O)(C[C@H](O)[C@H](COCc1ccccc1)OCc1ccccc1)OCC 40639678 RARQCQQRNJOLFV-VXKWHMMOSA-N 422.458 4.416 0 1 HIAF CC[C@@H](C(=O)OC[C@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1)c1ccccc1 40897257 NDDKHJOXHSQFAW-ZSDOYJHQSA-N 414.885 4.138 0 1 HIAF COc1ccc(-c2nc(-c3cccnc3)oc2Sc2ncccn2)c(OC)c1OC 45298456 QKNJZPYVKFJTJR-UHFFFAOYSA-N 422.466 4.371 0 1 HIAF CC[C@H](Nc1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12)c1nc(C)no1 64559455 OVEINYPAMNLCHO-KRWDZBQOSA-N 422.489 4.285 0 1 HIAF CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CC[C@@H]1CCCN1C 82188756 COPFLTKCKHKKSY-QUCCMNQESA-N 406.578 4.479 0 1 HIAF O=S(=O)(c1ccc(Cl)cc1Cl)N1[C@H]2c3c[nH]nc3C[C@@H]1c1cccc(F)c12 96906456 VLKPSGWFSLQJOZ-QAPCUYQASA-N 424.284 4.247 0 1 HIAF CC(C)(C)c1ccccc1N1CCN(C(=O)C23C[C@@H]4C[C@H](CC(C(=O)O)(C4)C2)C3)CC1 114543508 UFIQNYCAFNWRET-UFINEARASA-N 424.585 4.304 0 1 HIAF COC(=O)[C@@H](C)CN(c1sc2ccccc2c1C)S(=O)(=O)c1ccccc1 115228107 WREWEOWZYOZQJQ-AWEZNQCLSA-N 403.525 4.214 0 1 HIAF COc1cc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2)n2ccnc2)cc(OC)c1 169333744 ULAXXHKOZFRTFZ-JOCHJYFZSA-N 421.497 4.477 0 1 HIAF C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@@H](OC)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 198664371 IQZCRLBNSYMYLI-DLEJVWLXSA-N 402.531 4.093 0 1 HIAF Cc1c(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cnn1C 221308119 OBLWMTFYWMJXMH-MGPUTAFESA-N 420.517 4.340 0 1 HIAF CCOC(=O)c1oc2ccc(OC)cc2c1Nc1cc(OC)c(OC)c(OC)c1 299852804 XQTZSKXRLCOTCN-UHFFFAOYSA-N 401.415 4.388 0 1 HIAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 587089827 ZFHIBDSRPYFFLY-UHFFFAOYSA-N 407.776 4.374 0 1 HIAF Fc1ncc(Br)cc1-c1nc2ccc(I)cc2[nH]1 587178119 QPJORSIGIMGYII-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF Cc1cc(Cl)cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 587185139 XWXMMNHQPOIFTG-CYBMUJFWSA-N 411.674 4.372 0 1 HIAF Nc1cccc(C(=O)O)c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587248281 LKVXYZCTJODCCW-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF Cc1ccc2c(c1C)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352819 YBZBRQQXPKXYCS-HYBUGGRVSA-N 403.409 4.355 0 1 HIAF C[C@@]1(CSc2nncs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372712 FZLDBUGQZRNHKD-LPHOPBHVSA-N 402.472 4.293 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(C)C)([C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C1)O2 587409498 VXJJLKZSWBBAPJ-DUUCSIHASA-N 415.530 4.424 0 1 HIAF COc1cc2c3c(c1)O[C@](CCN(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587420571 XWMIVUAYHDXMLN-LAUBAEHRSA-N 416.315 4.052 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587442360 IMHYRELOUBDFRB-CYFREDJKSA-N 407.466 4.004 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(C)cc1)CC2=O 587485325 VIIJJNLDBSDLBN-XMMPIXPASA-N 410.466 4.036 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587587113 FQECTLGPKHMTDI-DVECYGJZSA-N 421.449 4.391 0 1 HIAF CN(C)c1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587616254 ZKJUWWWTAIHTGR-CJNGLKHVSA-N 402.859 4.271 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(CN=O)=COc1ccccc12 587739001 FLOWYURYTPSYKJ-NSPYISDASA-N 403.251 4.409 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCC(=O)N3C)N1 587775749 UMBRKQOWRPRTDE-GIPWTMENSA-N 403.295 4.121 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587781774 CREFYVADVGYPSS-UHFFFAOYSA-N 408.479 4.308 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3nncn3C)o2)N1 587847432 XUKTVIYYTFUEQA-FVMDXXJSSA-N 423.311 4.085 0 1 HIAF O=C1N(CC2CC2)[C@@H](Cc2ccccc2)C(O)[C@H](Cc2ccccc2)N1CC1CC1 6580842 BVTXGKCMPUPOGK-ZEQRLZLVSA-N 404.554 4.128 0 1 HIAF CC(C)C1=C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@@H](C(=O)O)[C@@H]3C(=O)O 12342038 PXYRCOIAFZBLBN-HECXQNDSSA-N 418.530 4.298 0 1 HIAF Cc1c(F)c(Oc2cccc(N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2N)c1F 13474058 NKBHNRUEAAWSDM-UHFFFAOYSA-N 413.428 4.185 0 1 HIAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc(CCCCN3CCCC3)cc1)C2 40380328 OMLYPOPMLOPEPH-XMMPIXPASA-N 409.526 4.309 0 1 HIAF CC1(C)C=C(C(=O)NCCCNCc2ccc(Oc3ccccc3)cc2)C(C)(C)N1 40503662 HKAVVJACNLZGED-UHFFFAOYSA-N 407.558 4.162 0 1 HIAF O=C(NC1CC1)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(Cl)c1 45192049 KACWDBJEBOXIOS-UHFFFAOYSA-N 406.313 4.328 0 1 HIAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1 63298330 ZRTWUBWXIGHVET-QGZVFWFLSA-N 404.514 4.009 0 1 HIAF C[C@@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(C(=O)O)cc2)C1=O 72106761 WXXNFNQJCUQPBK-QHCPKHFHSA-N 418.405 4.398 0 1 HIAF CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cc(OC)ccc2c1=O 95553413 VHYIZNPRSUKFNM-UHFFFAOYSA-N 402.244 4.143 0 1 HIAF CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1C(F)(F)F 96903286 QTPZUDXEMBRJTQ-QGZVFWFLSA-N 409.448 4.260 0 1 HIAF CCCCCCOc1ccc(NC(=O)C2=C(O)[C@H](Cc3ccccc3)NC2=O)cc1 101160283 BEHXYFDDPCDWEZ-FQEVSTJZSA-N 408.498 4.137 0 1 HIAF CCN(CCCCC[C@H](C)F)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 140574066 YZBMUXUJPCBQFJ-FXAWDEMLSA-N 402.576 4.112 0 1 HIAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2F)cc(N(C)C(=O)C(C)C)c1 142660349 NJKMWBRVPNXAJS-CQSZACIVSA-N 404.457 4.015 0 1 HIAF CC(=O)O[C@@H]1O[C@H](OC(C)=O)[C@@H]2[C@H]1[C@@H](O)C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C 166186884 YHQPTXXDIPLCDA-FUOWFBAVSA-N 422.562 4.041 0 1 HIAF CCC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169706995 YNEXOZANCDBXOF-SFHVURJKSA-N 416.525 4.302 0 1 HIAF Cc1cc(C)n(-c2ccc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)n1 221130211 XSGRBOJGLZRZNT-YLJYHZDGSA-N 420.517 4.433 0 1 HIAF CC1=CC(=O)O[C@@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]1(C)O)[C@H]23 238775070 YSJDJCWAZGWPOS-RHOVEEGCSA-N 416.558 4.484 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCN2C(=O)c3ccncc3[C@]12c1ccc(Cl)cc1 299854829 ALEXRJFKHPGKAK-QFIPXVFZSA-N 422.847 4.079 0 1 HIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)s1 299883380 RGEAXXYTQNLHHS-QYQKSZKWSA-N 403.500 4.073 0 1 HIAF S=C(Nc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 504249185 KLOZPBAJHPVGHH-SXKCCIOGSA-N 411.571 4.007 0 1 HIAF biogenic CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Br)c(C)c3[nH]2)c1 586931061 TZJDWIWQXCARRL-UHFFFAOYSA-N 422.348 4.331 0 1 HIAF COc1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc(Cl)c1OCC(C)C 587046571 WPLXHPLAYZSJSB-UHFFFAOYSA-N 410.879 4.173 0 1 HIAF C[C@@]1(c2ccc(CC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347377 AKDNUJOHHMYMMU-UPVQGACJSA-N 406.409 4.433 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(Br)[nH]1)[C@@H](C2)C3=O 587419224 XKPLWUUQPMXCEU-RMLUDKJBSA-N 413.065 4.037 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(/C=C/C(=O)O)=COc2ccc(F)cc21 587472654 TXCQCGBTGSGARS-YNYHDPJCSA-N 410.397 4.262 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCC(=O)O)c(OC)c1)CC2=O 587486280 ZGNOMFVLBNKKGO-HSZRJFAPSA-N 414.454 4.087 0 1 HIAF COC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547326 LTQXAIZYUADUND-GCJKJVERSA-N 410.809 4.076 0 1 HIAF C[C@@]1(CC(=O)Nc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566783 BBRKJXNQYSOTCU-OFNKIYASSA-N 407.397 4.280 0 1 HIAF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(N)ccc2O1 587580930 TXGHISKTNYWEQV-GBXCKJPGSA-N 403.434 4.393 0 1 HIAF CC1(NC(=O)OC(C)(C)C)CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582188 YOVNOPGNTHXYIP-YTZBPGPESA-N 411.454 4.170 0 1 HIAF COc1cc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587591323 GNARWYZDOZSHES-QPPBQGQZSA-N 422.433 4.295 0 1 HIAF CCCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587792246 HNASCQCNKHVWQS-YBTHPKLGSA-N 403.295 4.271 0 1 HIAF COC(=O)[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587803477 AYYUNVCTHMWPBE-GIQGCJHYSA-N 404.279 4.026 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587810464 XMXUYBFCOUUNCB-APBUJDDRSA-N 408.267 4.146 0 1 HIAF CCOC(=O)C[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587850107 XCXUNGDUSCTTNI-VOJFVSQTSA-N 412.324 4.381 0 1 HIAF CCOC(=O)c1ccc([C@]2(C3CC3)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962575911 WJXSRCRREPZQKS-CPJLOUKISA-N 409.526 4.411 0 1 HIAF C[C@@]1(c2cc(-c3ccc(F)cc3)no2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759516 BVWHCDAPBFJBPJ-FXAWDEMLSA-N 404.363 4.390 0 1 HIAF CC(C)Cn1c([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)nc2cc(Cl)ccc21 962916081 WZCZRAGGEJEBPN-PKOBYXMFSA-N 401.869 4.173 0 1 HIAF C[C@@]1(c2cccc3c2OCO3)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963679 YMARKZXEZQQBKG-HXUWFJFHSA-N 405.416 4.349 0 1 HIAF Oc1ccc(I)c([C@H]2c3c(F)cccc3C[C@H]3CCCN32)c1 963101366 RFVFIOGDVCCVMI-XIKOKIGWSA-N 409.242 4.246 0 1 HIAF O=C(NCC1(O)CCC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772614926 DEBXFRSYLDEIDH-UHFFFAOYSA-N 417.387 4.086 0 1 HIAF CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCC(N3CCCCC3)CC2)c1C 2929470 ULYFLVCJMYHRIB-UHFFFAOYSA-N 407.558 4.143 0 3 HIAF O=C(NC1CCCCC1)[C@@H](C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21 95569991 PGQNXSNGCKHBSB-HSZRJFAPSA-N 401.510 4.464 0 3 HIAF O=C(Nc1ccc(Cl)cn1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2456084 VCFFNDUMCUTQCC-RTWAWAEBSA-N 403.869 4.211 0 1 HIAF Cc1oc(-c2ccccc2)nc1CC[C@@H](O)c1ccc(C[C@H]2SC(=O)NC2=O)cc1 3787825 HEFGGAWLJMWCQK-WOJBJXKFSA-N 422.506 4.210 0 1 HIAF CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(c2ccccc2F)CC1 4192449 DFWLVUOEZMWQPV-UHFFFAOYSA-N 423.488 4.276 0 1 HIAF O=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)NCc1cccc(Cl)c1 8598887 WQNDUFXKAIGGCS-UHFFFAOYSA-N 421.884 4.471 0 1 HIAF COc1cc(Cn2ccc3cc(OC)c(OC)c4nccc2c34)cc(OC)c1OC 29479492 WZIMIVXNVMXXSF-UHFFFAOYSA-N 408.454 4.281 0 1 HIAF O=C(NC1CCCCC1)c1cn(Cc2ccccc2F)c2nc(Cl)ccc2c1=O 35050286 WMRZEKIDVZYCKI-UHFFFAOYSA-N 413.880 4.300 0 1 HIAF COc1ccc(N2CC[C@H](c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1 40567213 BOZMBSXPGWBGBZ-OAQYLSRUSA-N 412.505 4.220 0 1 HIAF CC[C@H](C)C(=O)O[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 43204622 PCZOHLXUXFIOCF-OCBYACOGSA-N 404.547 4.196 0 1 HIAF COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(Cl)c1 45314586 MXCSBIZVKBOAQU-KPZWWZAWSA-N 415.839 4.400 0 1 HIAF COc1cc(Nc2cccn3cc(C4CCOCC4)nc23)ccc1-n1cnc(C)c1 68243963 JVMOONMGHIUQTP-UHFFFAOYSA-N 403.486 4.475 0 1 HIAF Cc1nc(-n2ncc3c(S)ncnc32)c2c3c(sc2n1)CCc1ccccc1-3 71317393 NGDOCILNUFTWPJ-UHFFFAOYSA-N 402.508 4.183 0 1 HIAF COCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(F)cc2)n1 82141710 XEEFZTPRXCFCCK-UHFFFAOYSA-N 422.504 4.392 0 1 HIAF O=C(NCCc1cccc(F)c1)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82152445 VRLPCVQTQQBLEG-UHFFFAOYSA-N 422.479 4.385 0 1 HIAF COc1cc([C@@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc(OC)c1O 84154666 JRKSCKPVDJGMNY-RNOWOOBNSA-N 402.443 4.232 0 1 HIAF biogenic,in-vitro COc1ccc(C2=NN(C(=O)c3ccc(C)nc3)[C@@H](c3ccc(OC)cc3)C2)cc1 84714840 TUJUDPBTZRYQRL-HSZRJFAPSA-N 401.466 4.399 0 1 HIAF CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95874467 WHIDLAPBXJGMLF-AFMIAGMASA-N 404.554 4.018 0 1 HIAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)NC(C)C)CCCCN4[C@H]3CO)cc2)c1 95875561 AJFGPRMGCHYGQR-DSNGMDLFSA-N 421.585 4.005 0 1 HIAF COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc(OC)c1O 104081794 NNIYGXHMPILXSI-LJQANCHMSA-N 401.459 4.169 0 1 HIAF COc1cc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)ccc1OC(C)C 146042508 KXUHNTYPHZADRX-QGZVFWFLSA-N 408.454 4.185 0 1 HIAF CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2Cl)CC3)n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c1ccc2[nH]c(-c3nn([C@H](C)CC)cc3Cl)nc2c1 587078788 BIIMGOFKJSCPRE-GFCCVEGCSA-N 409.943 4.129 0 1 HIAF CN1CCN(c2ccc3nc(-c4ccccc4C(=O)c4ccc(F)cc4)[nH]c3c2)CC1 587163639 QDWRYERNPKWYMP-UHFFFAOYSA-N 414.484 4.352 0 1 HIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(Cl)c(Br)cnc2[nH]1 587175440 UFJRFEPCIQFXMO-LLVKDONJSA-N 408.662 4.237 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2F)(C(F)(F)F)N1 587708802 DQNKMEIODCUMHO-ANRSDYALSA-N 407.180 4.462 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nccn2C)(c2ccccc2)N1 587755704 QCUISPDYHUYVEB-QKKBWIMNSA-N 414.322 4.342 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(O)ccc32)N1 587777404 HJUNAMGILNNNNP-GIPWTMENSA-N 405.311 4.439 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)O)nn3ccccc23)N1 587797734 SBRCMKSCPRCILJ-ZMZPIMSZSA-N 418.310 4.087 0 1 HIAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587804078 AMMGUMICAFEVRR-GIPWTMENSA-N 424.310 4.412 0 1 HIAF COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(O)c1OC 587808693 QNSXZPXZOAZAKZ-OVWNDWIMSA-N 410.283 4.109 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ncccn3)n2)N1 587856708 YZBGBGYBWXTIEN-BJOHPYRUSA-N 405.296 4.125 0 1 HIAF COc1ccc(-c2cc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)co2)cc1OC 621431182 ZPHMWZQZKFUYOK-FQEVSTJZSA-N 406.482 4.093 0 1 HIAF COc1cc2c(cc1OC)[C@@H](c1cc(Br)cc3c1OCC3)N(C)[C@H](C)C2 962621868 ITDJKTAHGOWFDE-ODXCJYRJSA-N 418.331 4.367 0 1 HIAF Cc1nn(-c2ccccc2)c2nc(Cl)c([C@@H]3NCCc4c3c(C(C)C)nn4C)cc12 962911074 OLSWTAYGBYKGJK-NRFANRHFSA-N 420.948 4.474 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@](c1cccc(CN3CCCC3)c1)(C1CCC1)NCC2 962926333 BFKBWNKVKRYXBZ-HHHXNRCGSA-N 417.597 4.174 0 1 HIAF COc1cc2c(cc1OC)[C@@H](c1ccc(O)c(C)c1)N(C(=O)c1ccccc1N)CC2 963144546 TYYLEVAKXURZOI-XMMPIXPASA-N 418.493 4.088 0 1 HIAF Cc1ccc([C@@]2(CCC(=O)O)NCC(C)(C)c3ccc4c(c32)OCO4)cc1Cl 963391444 TWIHKQGQWHYXEN-JOCHJYFZSA-N 401.890 4.366 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1cc3cc(COC(C)=O)oc3cc1C(=O)CC2 1772604053 BYMLZMDLURXSDW-UHFFFAOYSA-N 410.422 4.318 0 1 HIAF COc1ccc(-n2nnc(-c3ccccc3NC(=O)c3cnc4ccccc4c3)n2)cc1 1857646553 FMRJSVTXIWPRJZ-UHFFFAOYSA-N 422.448 4.138 0 1 HIAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(F)c(F)c2)cc1 3814605 NWVGCEQIXKQQPS-UHFFFAOYSA-N 402.344 4.240 0 1 HIAF CN1C(=O)[C@H](N(C)C(=O)c2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 26379783 JHZGBJJYRSJSHT-QFIPXVFZSA-N 417.896 4.252 0 1 HIAF COc1ccc(CN2C=CC=C3C2=Nc2cc(Cl)ccc2N(C)S3(=O)=O)cc1 28638380 ALRGUUYFEIVIDJ-UHFFFAOYSA-N 415.902 4.072 0 1 HIAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 34024642 KLOMLLAPAMKOJE-GMAHTHKFSA-N 418.541 4.023 0 1 HIAF CC1(C)c2[nH]c3ccc(Cl)c(Cl)c3c2C[C@@]23NC[C@]4(CCCN4C2=O)C[C@H]13 40835039 AVZCIVJTZHXWMU-OREJSRFESA-N 404.341 4.032 0 1 HIAF CCCCNc1nc(N(C)C[C@@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 82129566 RLXAVVQVKUBGSL-LJQANCHMSA-N 410.518 4.029 0 1 HIAF COc1ccc(CCN(C)c2ncc(-c3ncc(C)o3)c(-c3ccco3)n2)cc1OC 82166035 IKWGVUIGQOBVLX-UHFFFAOYSA-N 420.469 4.396 0 1 HIAF C[C@@H](CNc1ncnc2c1nc(-c1ccoc1)n2C[C@@H]1CCCO1)c1ccccc1 82188164 ZWBZYMKQQPUUAI-LPHOPBHVSA-N 403.486 4.481 0 1 HIAF Cc1nn(Cc2ccc(NC(=O)OCc3ccccc3)cc2)c(C)c1CCC(=O)O 113989998 HVRBANGUBVDIQO-UHFFFAOYSA-N 407.470 4.314 0 1 HIAF C[C@@H]1CN(S(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)CC[C@]12C=Cc1ccccc12 253640417 MKYSQFPCLREISL-VRUJCXGUSA-N 413.583 4.018 0 1 HIAF COc1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc2n1 586947680 ZXFRNCGZAQLRFK-UHFFFAOYSA-N 408.483 4.051 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2c(Cl)ccnc2[nH]1)c1ccc(F)cc1 587170702 FZTCQPMHBQWJAV-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF CCOC(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333861 DAAHVJKMWBALPI-ISKFKSNPSA-N 421.424 4.134 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(OC(F)(F)F)cc1)O2 587381253 DRDMYYYMTLIYES-LJQANCHMSA-N 408.376 4.229 0 1 HIAF COc1cc2c3c(c1)O[C@](CSc1nncs1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427638 JQDDWOVMTKHFBU-MGPUTAFESA-N 414.483 4.121 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1c[nH]c(C(=O)O)c1)CC2=O 587468536 VXENLUDLDKHHKJ-QHCPKHFHSA-N 409.413 4.419 0 1 HIAF COC(=O)[C@@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587495966 GGGDXRSBFABQIT-NRFANRHFSA-N 415.283 4.362 0 1 HIAF CN(C(=O)OC(C)(C)C)C(C)(C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571440 KTJKDAVXAQBWAA-PXNSSMCTSA-N 413.470 4.368 0 1 HIAF Cc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575755 DAOWCTXIDMJYJE-URXFXBBRSA-N 403.434 4.450 0 1 HIAF Cn1c(C(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587577741 ORPALFVPNCLINX-AUSIDOKSSA-N 415.401 4.285 0 1 HIAF CC(C)S(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608792 SSVIUXHVEOOYPS-NFBKMPQASA-N 424.474 4.277 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(Sc3nncs3)c2c1 587651023 ZCUMIECCKHZWRA-UHFFFAOYSA-N 405.501 4.380 0 1 HIAF CCOc1ccc(-c2nn(-c3ccc(F)cn3)c(=O)c3ccccc23)cc1OCC 587671252 MJUMZAIXKVMKCN-UHFFFAOYSA-N 405.429 4.384 0 1 HIAF COc1ccc(-n2ccnc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587755778 QNYFTMOZXPFPRB-BUXKBTBVSA-N 416.294 4.406 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O[C@H](C)C(=O)O)c2)N1 587798423 ZZQPKOSCCDKZFI-YRUZYCQGSA-N 408.267 4.064 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c(C(=O)O)csc32)N1 587853696 AXWYGFSCJMXIGX-LZVRBXCZSA-N 410.308 4.462 0 1 HIAF O=C1C[C@H](c2ccc(Br)cc2)C[C@@]2(C1)NCCc1c(C(=O)O)cccc12 963136181 YZUGKGJTMFZZDE-QKKBWIMNSA-N 414.299 4.025 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1cc(C2CC2)[nH]n1 963904666 RRWLZRBFRHOLAQ-IIBYNOLFSA-N 411.502 4.321 0 1 HIAF Cc1nc2ccccc2c(=O)n1CCCCCN1CCN(c2ccc(Cl)cc2)CC1 1772585263 POPGMXCMNWFNGG-UHFFFAOYSA-N 424.976 4.351 0 1 HIAF COc1ccc(-n2cc(CN[C@@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)cc1 55131234 FLMCKRJBBZVXMN-INIZCTEOSA-N 403.461 4.328 0 3 HIAF CCc1nc2c(OCc3c(C)noc3C)cccn2c1N(C)C(=O)c1ccccc1F 61930741 YIMBADDXFXMBOX-UHFFFAOYSA-N 422.460 4.496 0 3 HIAF O=C1Nc2c(COCCCc3ccccc3)ccnc2N(C2CC2)c2ncccc21 5934138 MCTDJTKJCJZJTG-UHFFFAOYSA-N 400.482 4.492 0 1 HIAF O=C(Nc1cc(Br)ccc1N1CCNCC1)c1cccc2ccccc12 14961999 SWKYODCETJXWLS-UHFFFAOYSA-N 410.315 4.264 0 1 HIAF CC(=O)Oc1ccc([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(OC(C)=O)c1 15257335 MOXLQFRINKKXKS-QGZVFWFLSA-N 408.450 4.440 0 1 HIAF biogenic O[C@H]1Cc2cc3c(cc2C[C@@H]1NCCC(c1ccccc1)c1ccccc1)OCO3 27720906 BVWLHELXUXLBSV-ZEQRLZLVSA-N 401.506 4.055 0 1 HIAF C[C@@H](CCF)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823209 HUHQKIHUHFDTTD-LBPRGKRZSA-N 406.306 4.429 0 1 HIAF Cc1ccc(CNc2cc(C(F)(F)F)nc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 29132718 ILPMHHLUGMLAFD-UHFFFAOYSA-N 421.444 4.486 0 1 HIAF C[C@@H](CC(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1)CC(C)(C)C 40391312 BBJGEALTXUKPHL-HZGBXSETSA-N 408.922 4.407 0 1 HIAF COc1cc(CC(=O)NCc2ccc(C(C)(C)C)cc2)cc(Br)c1O 64453509 XIBYUVJEQABGON-UHFFFAOYSA-N 406.320 4.320 0 1 HIAF CCc1cc(=O)c2ccc(OC)c(COC[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 72116903 ZHLZQZJYVQFZBE-PKTZIBPZSA-N 400.471 4.003 0 1 HIAF CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H]2OC[C@@]2(CCCc2ccccc2)C[C@@H]3[C@@H]1C5 101472636 AFNNIVJCAOZVSR-AADJGKJHSA-N 417.549 4.079 0 1 HIAF COc1cccc(-c2cc(C(=O)Nc3cc(=O)c4cc(O)ccc4o3)ccc2OC)c1 101935909 BJDYATCHIIGATL-UHFFFAOYSA-N 417.417 4.435 0 1 HIAF OC1=C2C(=Nc3nc(O)nc(O)c3[C@H]2c2ccc(Br)cc2)c2ccccc21 104094772 SMEYFIXNOUVAHJ-ZDUSSCGKSA-N 422.238 4.199 0 1 HIAF CC(C)Oc1cccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1 139348232 VLUONFPFPAASKP-UHFFFAOYSA-N 413.481 4.047 0 1 HIAF C/C=C(/C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C(C)C 145922641 CBADSRIBFMZVLJ-XTLGIRLXSA-N 414.454 4.082 0 1 HIAF CC(C)C1CCC(N2[C@H]3CC[C@@H]2C[C@H](n2c(=O)c(C(=O)O)nc4ccccc42)C3)CC1 169685548 JESHQLKVJMUUDP-OLYNROPNSA-N 423.557 4.477 0 1 HIAF COc1cc2c(cc1O)[C@@H]1C[C@@H](C[C@@H]3CCCCN31)OC(=O)/C=C/c1ccc(O)c-2c1 195483204 CDTGNBVPXHNHGE-HHCKMMLTSA-N 421.493 4.401 0 1 HIAF c1cc(OCCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 197931477 WONOSOFIRHJRAR-UHFFFAOYSA-N 402.502 4.270 0 1 HIAF COc1ccc(-c2cc(C(N)=O)nc3cc([C@H](C)Cc4cnc(C#N)nc4)ccc23)cc1 221625324 FNLRSUUOKIOXRC-OAHLLOKOSA-N 423.476 4.017 0 1 HIAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N[C@H](C)C3CC3)c2n1 224104141 XQNVJAORESMLSK-CQSZACIVSA-N 415.501 4.388 0 1 HIAF C[C@H](CSc1nnc(-c2ccncc2)s1)C(=O)NCc1ccc(Cl)cc1 473083939 POOUOZXTJSCUHM-GFCCVEGCSA-N 404.948 4.298 0 1 HIAF CN(C)C(=O)COc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586988226 GYQCOVFBEZBWEI-UHFFFAOYSA-N 424.456 4.286 0 1 HIAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1 587171425 ZRBAZCHQLVYHNM-IBGZPJMESA-N 415.877 4.423 0 1 HIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(Cl)c(Br)cnc2[nH]1 587175442 UFJRFEPCIQFXMO-NSHDSACASA-N 408.662 4.237 0 1 HIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1OC 587338179 QWROLZHZANFVLY-GBXCKJPGSA-N 423.440 4.405 0 1 HIAF COc1cccc2c1OC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356310 JHOXMYVINQMCQP-URXFXBBRSA-N 406.409 4.273 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(Br)o1)O2 587371956 INRJLKBFOVJSRG-LBPRGKRZSA-N 401.054 4.402 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1cnn(C)c1C)O2 587391642 OASQHELRPYJJKB-QFIPXVFZSA-N 413.481 4.178 0 1 HIAF CCOP(=O)(OCC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587449683 QSKYORGJHRBKMC-UTKZUKDTSA-N 402.383 4.075 0 1 HIAF C[C@@]1(c2ccc(Br)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543060 HGVSMQVNBXTMNU-XLIONFOSSA-N 412.239 4.427 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@]1(c2cccc(F)c2)CCOC1 587569602 INADHDGSFSNBLM-OYDLWJJNSA-N 406.409 4.220 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1cccs1)CC2 587610422 FWGHAIMGIJMUGO-FQEVSTJZSA-N 407.491 4.450 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)c3ccco3)c2c1 587648860 BRNMQTMMHQVCFD-UHFFFAOYSA-N 407.316 4.050 0 1 HIAF COc1ccccc1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656793 PBKQPFCSGHSIEH-UHFFFAOYSA-N 422.387 4.070 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 587701805 CNBWQVORKPBKOY-ZKANADHPSA-N 423.717 4.455 0 1 HIAF CCOC(=O)[C@H](C)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587703815 GYVDXDSZAQHPTM-UTEYVOQOSA-N 412.221 4.079 0 1 HIAF CCOC(=O)[C@@]1(CCC(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587711098 VWHCUGFHQLLURJ-PSLIRLAXSA-N 412.221 4.223 0 1 HIAF COC(=O)CC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587732431 NDESBXBYFAFCOF-YUNKPMOVSA-N 424.285 4.458 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](N=O)C(=O)Nc2ccccc2)N1 587741735 IEOZWFQQWKPLGC-XTDINYQCSA-N 420.282 4.111 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C2)N1 587742982 MTULHFYINKHATI-CENXUZMRSA-N 413.331 4.395 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccc(N)cc2)N1 587747839 SGDAWAAQZLHJBE-YEJXKQKISA-N 412.306 4.392 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncn2Cc2ccccc2)N1 587752117 BSPMXHDSUDDOLA-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCCO2 587832718 CDGRPDJIDCAWMP-GIPWTMENSA-N 422.294 4.382 0 1 HIAF COC(=O)c1cc(Br)cc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)c1 963103315 KVILPFVPWYOBCS-APWZRJJASA-N 404.279 4.485 0 1 HIAF CN(C)C(=O)c1cc([C@]2(c3ccccc3)NCCc3c(Cl)cc(Cl)cc32)c[nH]1 963121515 LZNIEJNSHBSIAE-QFIPXVFZSA-N 414.336 4.461 0 1 HIAF CC(C)Nc1nccc(-c2ccc3c(c2)C(=O)N([C@@H](CO)c2cccc(Cl)c2)C3)n1 1857563382 BZEWIPPKSPNWQI-NRFANRHFSA-N 422.916 4.307 0 1 HIAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3ccc(-c4cc5n(n4)CCC(=O)N5)cc23)c1 1857592189 UPLXQPNFVLRENL-OAHLLOKOSA-N 412.497 4.047 0 1 HIAF Clc1cccc(-c2cnc3n2C[C@@H](CNCc2cnc4ccccc4c2)OC3)c1 2356302414 UXDUOIKUQOTZIA-HXUWFJFHSA-N 404.901 4.440 0 1 HIAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)c4ccncc4)nc3[C@H](C)[C@@H]21 2356450467 WAFHSEYUNIHITI-SMDAXQMVSA-N 411.527 4.044 0 1 HIAF CN(C)C(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4F)cn23)c1 61926336 RKGLYNPEUJMSLN-UHFFFAOYSA-N 402.429 4.078 0 3 HIAF Cc1ccc(Cl)cc1NC(=O)C1=CNN2C1=N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 103999624 MCHJGQTWHCYKEP-GDBMZVCRSA-N 424.810 4.358 0 3 HIAF COc1ccc2[nH]c3c(c2c1)CCN[C@]31C(=O)N(Cc2ccccc2)c2ccccc21 203473190 JIRIFWMEOPVUKL-SANMLTNESA-N 409.489 4.113 0 3 HIAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OCC 4041424 SZXKLVMWMRMFHG-GMAHTHKFSA-N 409.530 4.159 0 1 HIAF CCN1c2ncc(CNc3cccc(N)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 5841387 ZBAIJDRMNLCRIN-UHFFFAOYSA-N 408.893 4.072 0 1 HIAF CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1 13449384 ITQRUODJAHLNPZ-UHFFFAOYSA-N 422.617 4.373 0 1 HIAF CC1(C)C=Cc2cc(-c3coc4c5c(cc(O)c4c3=O)O[C@H](C(C)(C)O)C5)ccc2O1 14825208 RHNKNAQMIBBEOO-FQEVSTJZSA-N 420.461 4.424 0 1 HIAF biogenic O=c1c2cc(F)c(-c3cncc([C@@H]4CCCN4)c3)cc2n(C2CC2)c2snc(O)c12 28569584 PKNYPDGLXFTOPX-KRWDZBQOSA-N 422.485 4.277 0 1 HIAF COc1cc(COc2cc(-c3ccccc3)cc(O)c2OCC(=O)O)cc(OC)c1 28825963 KNUXHLXKBXJWDE-UHFFFAOYSA-N 410.422 4.119 0 1 HIAF CN1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1 49073380 VETGEHMWKIZMPG-CVDCTZTESA-N 403.574 4.283 0 1 HIAF CCC[C@H](C(=O)O)n1nc(Cc2cn(C)c3cccc(C)c23)c2ccccc2c1=O 68198726 CFWPPIWGODXVHI-OAQYLSRUSA-N 403.482 4.213 0 1 HIAF CCn1cc(Br)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21 72316115 CXBAGEKVBRLQPB-UHFFFAOYSA-N 402.292 4.298 0 1 HIAF Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)NCCC3=CCCCC3)C(C)C)co2)cc1 82069970 QMJICFUQMUGNOM-OAQYLSRUSA-N 409.530 4.411 0 1 HIAF COc1ccc(-c2nc3ccc(-c4nnn[nH]4)cc3nc2-c2ccc(OC)cc2)cc1 116230631 JXWYOCARONMUEH-UHFFFAOYSA-N 410.437 4.161 0 1 HIAF CN1C(=O)C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)[C@@H]1CC(C)(C)C 141930046 BONIRPMJEKDABR-HNNXBMFYSA-N 413.345 4.131 0 1 HIAF CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)OCc3ccccc3)c3ccccc23)S1 169319777 WSWBEISKHBBOKF-KUHUBIRLSA-N 407.495 4.147 0 1 HIAF CC[C@@H](C)C(=O)O[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 206556909 PCZOHLXUXFIOCF-IGZRGWFQSA-N 404.547 4.196 0 1 HIAF COCc1nc(-c2cccc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c2)c(C)[nH]1 219054642 GYLGVCRNEGHVOO-UHFFFAOYSA-N 414.509 4.423 0 1 HIAF O=C(NC1CCN(CCF)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1 299831151 NQLOMYZJOWNREZ-UHFFFAOYSA-N 424.438 4.448 0 1 HIAF COc1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c1 587006110 HRDZPWZYLFAURX-UHFFFAOYSA-N 410.271 4.211 0 1 HIAF O=C(O)c1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1F 587017215 JKOOMJPWTNSNKH-UHFFFAOYSA-N 405.414 4.816 0 1 HIAF Cc1cncc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 587091354 IYRIVVZWMDAPQP-UHFFFAOYSA-N 414.428 4.071 0 1 HIAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 587106461 CRGASKVVPDBVJA-OAHLLOKOSA-N 413.396 4.247 0 1 HIAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(COC(F)(F)F)[nH]c2c1 587125233 RDDSBDMSZNQETI-UHFFFAOYSA-N 405.785 4.054 0 1 HIAF Cc1cc(Br)c2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 587148247 HAJBRGJLVFACTO-LBPRGKRZSA-N 420.257 4.428 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OCc3ccccc3)CC13CC3)O2 587399635 LLYQWHQCEMLBMM-DEOSSOPVSA-N 406.482 4.104 0 1 HIAF COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399828 KGDQRPKQCUDFEL-RUZDIDTESA-N 417.461 4.338 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427783 VJJSRQJYLJOVRC-QVKFZJNVSA-N 404.821 4.084 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1N1CCN(C)CC1)CC2=O 587460336 LVZBPSPTZMCQFD-OAQYLSRUSA-N 414.933 4.456 0 1 HIAF COc1ccccc1N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583278 REEKUMPTXTUTDC-JOCHJYFZSA-N 417.461 4.402 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589099 TXRNHKRNMDEMDV-YZVOILCLSA-N 423.465 4.264 0 1 HIAF COC(=O)C[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587734124 SUCCZQNWSKGWLV-JEOXALJRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O[C@H](C)C(=O)O)cc2)N1 587790668 HFXSQPLYBIHANX-YRUZYCQGSA-N 408.267 4.064 0 1 HIAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587805658 HALSVGRNTYXOIN-GIPWTMENSA-N 424.310 4.412 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc2c(C)cc(=O)oc2c1 587870480 KRXHOSZKOZSFFK-UHFFFAOYSA-N 422.412 4.222 0 1 HIAF C[C@@]1(Cn2cc(C(F)(F)F)ccc2=O)c2ccsc2CCN1Cc1ccco1 962701201 CWHXAXHXKMYSKO-LJQANCHMSA-N 408.445 4.495 0 1 HIAF COc1ccccc1C[C@H]1N2CCC(CC2)[C@@]12NCCc1c(OC)ccc(Cl)c12 963259820 UWZTXUNDJIXTHG-ISKFKSNPSA-N 412.961 4.035 0 1 HIAF O=c1nc(N2CCOCC2)oc2c(-c3ccsc3)c(OCc3ccccc3)ccc12 1772655262 PQWBOAPYSPZTBX-UHFFFAOYSA-N 420.490 4.332 0 1 HIAF Cc1noc(C)c1-c1ccc(C(=O)N2[C@H](C(=O)O)CS[C@@H]2c2ccccc2)cc1 1857745281 WDIDYNSUIJBGIF-GHTZIAJQSA-N 408.479 4.299 0 1 HIAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]23C)[C@@H](OC)O1 2356336307 LGITXCALUZAZQD-CTLXVWGTSA-N 424.578 4.444 0 1 HIAF COc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(OC)c(OC)c4)n3c2)c1 61908132 PPOCGNPLTDXECJ-UHFFFAOYSA-N 403.438 4.262 0 3 HIAF O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1 13534412 DHOCETPWLQILEE-SNAWJCMRSA-N 404.341 4.102 0 1 HIAF O=C(c1ccco1)N1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 36381477 QNVNQMPUTFJMLX-UHFFFAOYSA-N 418.316 4.128 0 1 HIAF O=c1c(Br)cc2cnc(Nc3ccccn3)nc2n1C1CCCCC1 38388834 PFFRTOXGENUPPW-UHFFFAOYSA-N 400.280 4.198 0 1 HIAF COc1cc(N[C@@H](C)CCCNC(=O)NOCc2ccccc2)c2ncccc2c1 43069619 PHXPVHUPNPVXRU-KRWDZBQOSA-N 408.502 4.255 0 1 HIAF Fc1ccc(Cn2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)cc1 45387153 UCLVLFWDFAANAS-UHFFFAOYSA-N 403.461 4.199 0 1 HIAF CCN(CC)C(=O)N1CCC(N[C@H](c2ccc(OC(C)C)cc2)c2cccnc2)CC1 72186126 XFHXGSJSNDGPJH-XMMPIXPASA-N 424.589 4.474 0 1 HIAF COCCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc(F)cc2)n1 82136252 NZDXHHAVCOVYGW-KXBFYZLASA-N 400.498 4.040 0 1 HIAF CCCc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@@H]1CCCN1C 82187569 YVMLUQBNHHYQAL-IBGZPJMESA-N 410.541 4.057 0 1 HIAF O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc12 84616274 NDBJTRRXZVVGMK-UHFFFAOYSA-N 410.429 4.345 0 1 HIAF O=C([C@@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1F 95559682 LZPIQIRKBGRLTO-OFNKIYASSA-N 402.425 4.343 0 1 HIAF CCc1ccc(S(=O)(=O)n2ccc3cc(F)ccc32)cc1NC1CCN(C)CC1 95575134 AYDOZXXYBIBIPE-UHFFFAOYSA-N 415.534 4.086 0 1 HIAF Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@@H]2NC(=O)CCc1ccccc1 96284886 XJFOIGOFHXJCFG-VWLOTQADSA-N 421.504 4.174 0 1 HIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccnc(-c2nccs2)c1 98176755 KADANZJOWRDPNQ-KRWDZBQOSA-N 409.511 4.476 0 1 HIAF COc1cccc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3OC)cc2)c1 100107237 ATRZBTYYIXQRMV-XNSYCPOSSA-N 400.522 4.311 0 1 HIAF COC(=O)C1=C(c2cnc(-c3cccc(Br)c3)s2)C[C@@H]2CC[C@@H]1O2 101501241 JZUOHICLNJQBTJ-JSGCOSHPSA-N 406.301 4.451 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1ccc([C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 101682971 VMRVLXSFEVVDME-RXAXNXDRSA-N 409.438 4.160 0 1 HIAF O=C(O)c1ccc(-n2nc(C(=O)O)c(C(=O)c3ccccc3)c2-c2ccccc2)cc1 103274263 OVMOMVMMRPWWAB-UHFFFAOYSA-N 412.401 4.167 0 1 HIAF CCOc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 139894418 HEPOAYPHPZOHIU-RJGXRXQPSA-N 414.461 4.136 0 1 HIAF COC[C@@H](C)NC(=O)c1cc(NC(=O)c2cscn2)cc(-c2ccc(C)cc2)c1 142616598 ORNHUCCRRFPKHE-OAHLLOKOSA-N 409.511 4.136 0 1 HIAF O=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4cc(F)c(F)cc4[nH]3)n[nH]c2c1 166934041 PVKRZDHRLAMPQA-UHFFFAOYSA-N 405.364 4.342 0 1 HIAF COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@@H]1C 220737360 HQTAMVKTQPVNSA-BLLLJJGKSA-N 422.298 4.097 0 1 HIAF CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2ccco2)C1 299882487 PVBZQROJRCDVBX-PLOUGOBLSA-N 416.562 4.107 0 1 HIAF CCOC(=O)C(F)(F)[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586986890 QNWNKLOCINRQBW-LBPRGKRZSA-N 423.415 4.455 0 1 HIAF COc1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 587032910 VRQAKJOPOSOTTL-CEXMDJMXSA-N 401.517 4.093 0 1 HIAF CCc1cc(OCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1Cl 587052479 BWYWCOXJORUJBO-UHFFFAOYSA-N 409.877 4.417 0 1 HIAF Clc1cc2ccc(-c3nc4cc(I)cnc4[nH]3)cc2cn1 587084942 LCZVAHSVMNYWBE-UHFFFAOYSA-N 406.614 4.431 0 1 HIAF CCS(=O)(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134531 MTMQUCQRVSTTAK-GQCTYLIASA-N 402.344 4.222 0 1 HIAF Cc1ccnc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12 587157985 RYHDOLSWAGFJKM-UHFFFAOYSA-N 402.227 4.003 0 1 HIAF CS(=O)(=O)Nc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1O 587208940 GVRMHXPRVXWIMG-UHFFFAOYSA-N 416.458 4.190 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2cc1OC 587241496 DMTCPZZIZDXHGF-UHFFFAOYSA-N 413.430 4.078 0 1 HIAF CCO[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C12CCOCC2 587356078 HXEFEZTUIMCFCT-LGVFNWMJSA-N 412.457 4.235 0 1 HIAF O=C1C[C@H]([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CO1 587361187 XXWUIRWDXFEYGS-DQXHVOOISA-N 418.420 4.349 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Br)c(OC)cc41)[C@@H](C2)C3=O 587417177 JRHRUNIQJNMTJH-VBKZILBWSA-N 401.256 4.055 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N(CC)CC)cc1)CC2=O 587467027 BSCJNLWKJXRKEK-JOCHJYFZSA-N 411.498 4.298 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573751 XFWNDXWRUSWIGF-URXFXBBRSA-N 422.408 4.342 0 1 HIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1NC(C)=O 587578214 MYZVAUYPTUMEAY-QPPBQGQZSA-N 419.433 4.236 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@H]2N(Cc2ccccc2)C1 587585591 DXLMYAYFBJBJSG-WKCDTRDRSA-N 413.473 4.387 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586218 IBWHRTQBMUYROE-KLHJMIIUSA-N 411.454 4.122 0 1 HIAF CC(C)(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587598919 YWXYHYKIJHKOSA-NBGIEHNGSA-N 415.445 4.499 0 1 HIAF CCOC(=O)C(C(=O)OCC)c1[nH]c2c(C)cc(Cl)cc2c1CC(F)(F)F 587624207 FUXFMNPZIVSVPP-UHFFFAOYSA-N 405.800 4.444 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(c2cccnc2)N1 587770973 LJQSEOJCHKPOCR-SPLOXXLWSA-N 412.306 4.399 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc(C(=O)O)c23)N1 587805202 SJJCNUHMEHKRMD-LZVRBXCZSA-N 403.251 4.391 0 1 HIAF COc1cc(OC)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587808178 PLIPVKGYYWZQCJ-GIPWTMENSA-N 424.310 4.412 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587826251 DWFFYOZCXPOOBD-AYLIAGHASA-N 408.267 4.302 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccccc3oc2=O)N1 587841672 NDCZBJRESBYJFV-PRWKNARSSA-N 402.263 4.492 0 1 HIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587929849 NEIHLFPSPLHVME-BFUOFWGJSA-N 401.260 4.477 0 1 HIAF Cc1cc(NCCCNc2ccnc3cc(Cl)ccc23)nc(NCCCCO)n1 653905161 MJZCDZYORFTBJV-UHFFFAOYSA-N 414.941 4.085 0 1 HIAF COc1ccc(-c2noc([C@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)n2)cc1 962717477 UYHDCHNHGNUQKX-FOIQADDNSA-N 411.502 4.337 0 1 HIAF Cc1c([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cnn1C(C)C 962929217 SMXGVOLYOQZSBV-LADGPHEKSA-N 421.497 4.133 0 1 HIAF Oc1cc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)ccc1I 963103607 LRRSPWQYLROPDI-FZKQIMNGSA-N 409.242 4.246 0 1 HIAF C=CC(=O)N1CCN(c2cc3ncnc(Nc4ccc(/C=C/C)cc4)c3cc2F)CC1 1857561301 GFULVLFIGYPMBN-HWKANZROSA-N 417.488 4.380 0 1 HIAF Cc1nnc2n1-c1ccc(-c3cnc(=N)[nH]c3)cc1[C@H](Nc1ccc(Cl)cc1)CC2 1857598222 BSFILPZIPHRPKR-LJQANCHMSA-N 417.904 4.198 0 1 HIAF CC(C)CNc1nccc(=NCCCN[C@@H]2CCCc3c2[nH]c2ccc(F)cc32)[nH]1 1857610293 NLHIMYBZHZIEHG-HXUWFJFHSA-N 410.541 4.056 0 1 HIAF CNC(=O)c1cc(Oc2ccc(C3=NN[C@H](c4ccc(F)cc4Cl)C3)cc2)ccn1 1857761765 FPMMIJFJEVWGED-FQEVSTJZSA-N 424.863 4.465 0 1 HIAF COc1ccc([C@@](C)(O)c2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1 1911576131 PDUPEAHMYSVPER-XMMPIXPASA-N 400.434 4.290 0 1 HIAF COc1ccccc1NC(=O)C[C@@]1(C)N=C(c2cccc(C(F)(F)F)c2)N(C)O1 205233641 UETJJMUMILICRT-IBGZPJMESA-N 407.392 4.083 0 3 HIAF O=C(c1ccccc1C(F)(F)F)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 206055410 VFBCBKJJLHPNNE-XHDPSFHLSA-N 412.770 4.373 0 3 HIAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1OC 774173 LUBLGIHVGYEZOL-DNVCBOLYSA-N 424.497 4.163 0 1 HIAF O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(F)cc23)CC1 13452455 UEWDNBBZGQGYEW-UHFFFAOYSA-N 424.495 4.113 0 1 HIAF C[C@H](OC(=O)c1ccccc1)n1c([S@](=O)Cc2ccccn2)nc2ccccc21 13820772 XNXLQABJKJXONG-OFJJUDJNSA-N 405.479 4.115 0 1 HIAF CN(C)CCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccc(Cl)cc12 28641827 YIRWIPWOAQCVMA-UHFFFAOYSA-N 423.992 4.281 0 1 HIAF COC(=O)c1cccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1 28708718 RPCVSKRMGOKULT-RXVVDRJESA-N 411.546 4.052 0 1 HIAF O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cncc(C(=O)O)c1 28954739 RDQSNARBRVOISS-UHFFFAOYSA-N 406.482 4.265 0 1 HIAF COC(=O)[C@@]1(C)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F 72137778 PZNMCEPHIVAKBR-AKWBHNSASA-N 420.225 4.019 0 1 HIAF O=C(C1CCCCC1)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72185497 KPCRYYCLGPRUIG-NRFANRHFSA-N 416.928 4.083 0 1 HIAF CCCc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@H]1CCCN1C 82187572 YVMLUQBNHHYQAL-LJQANCHMSA-N 410.541 4.057 0 1 HIAF c1ccc(CCn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)cc1 84615153 SGJDUQRPZJSFQE-UHFFFAOYSA-N 419.554 4.174 0 1 HIAF NC(=O)c1ccc2c(c1)OCCc1cc(-c3nncn3-c3ccccc3Cl)sc1-2 95581751 HQQMOSDGLIFYLI-UHFFFAOYSA-N 422.897 4.350 0 1 HIAF COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccccn3)c3nccnc23)c1F 96173410 WRJQESMYYXWRAN-UHFFFAOYSA-N 422.391 4.240 0 1 HIAF CC(C)(C)NCCOc1ccc2c(c1)C(=O)c1cc(OCCNC(C)(C)C)ccc1-2 96927419 FIOWSDWZTLSCBN-UHFFFAOYSA-N 410.558 4.432 0 1 HIAF OC1=C2C(=Nc3nc(S)nc(O)c3[C@@H]2c2ccc(Br)cc2)CCC1 100644702 OMJJALCVDFZRBR-GFCCVEGCSA-N 404.289 4.447 0 1 HIAF Cn1ccc2ccc(-c3ccnc(NC[C@@H](O)CN4CCc5ccccc5C4)c3)cc21 219729404 DMWLNIKQERRLLK-XMMPIXPASA-N 412.537 4.071 0 1 HIAF O=C(c1cccc2cc[nH]c12)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 261078574 BHDOEKBJNYFWML-JLZZUVOBSA-N 401.388 4.264 0 1 HIAF C[C@@H]([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)[C@H]1C[C@@H]1C(=O)O 299848579 SPBCVLSZAPVLJN-KBYDFTMHSA-N 404.591 4.334 0 1 HIAF C[C@@H]([C@@H]1C[C@@H]1C(=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@@]12C 299848586 SPBCVLSZAPVLJN-LXTWTQJRSA-N 404.591 4.334 0 1 HIAF Cc1cc(N(C)C)c2c(n1)N(c1ccc(C(C)C)cc1Br)CC(=O)N2 473150506 MBWXBLKHKYOTSW-UHFFFAOYSA-N 403.324 4.432 0 1 HIAF Oc1cccc([C@H](O)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 586888249 BYWFVGUZMZLUAG-ZDUSSCGKSA-N 403.154 4.011 0 1 HIAF CN(Cc1nc2cc(Cl)c(Cl)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929280 SFGBGOIFOSBQMU-UHFFFAOYSA-N 404.706 4.344 0 1 HIAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 587158807 JMQFRNYYQDSOJW-UHFFFAOYSA-N 403.413 4.299 0 1 HIAF Cc1nn(C)cc1[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327145 FGLUBSQBYVPSCS-GHTZIAJQSA-N 402.372 4.093 0 1 HIAF CN(C)/C=C/[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335032 JCXWFBSKBVBYSS-LZUYWFSRSA-N 404.441 4.256 0 1 HIAF O=C(c1cnccc1C(F)(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658894 UROLBOXKXLCGEV-UHFFFAOYSA-N 413.330 4.305 0 1 HIAF CCn1cc([C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587713093 CICBSWXTDIKFKQ-VVVCHXIZSA-N 402.258 4.156 0 1 HIAF CCS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587850618 QUGUSVXCDGCCIR-VOJFVSQTSA-N 412.324 4.005 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cnc2ccccc21 587863375 YTYSTQYWSJHORG-UHFFFAOYSA-N 400.360 4.268 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C(C)C)c(=O)c2ccccc12 587872038 HNWGELNAJFNOOA-UHFFFAOYSA-N 420.444 4.067 0 1 HIAF Cc1cnc([C@H](CC(=O)O)c2cc(Cl)cc(-c3ccccc3C(N)=O)c2)s1 1772607254 YZHXYNABHALLTQ-QGZVFWFLSA-N 400.887 4.477 0 1 HIAF CC(C)OC(=O)c1c(NC(=O)N2CCN(c3ccccc3)CC2)sc2c1CCC2 1857573651 UVMJTEQSFHMQTI-UHFFFAOYSA-N 413.543 4.156 0 1 HIAF CC=C(C)C(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)CC[C@H](O)[C@@H]2C 2356628439 TYOANDKPHLTYEY-YOEHRIQHSA-N 400.471 4.477 0 1 HIAF CSc1ccccc1OCc1cc(C(=O)N2CCC(c3ccncc3)CC2)no1 12307568 NRVKYOHWVRPFKV-UHFFFAOYSA-N 409.511 4.390 0 3 HIAF COc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccc(OC(F)(F)F)cc2)cc1OC 61927190 SABNASAKWJHHDR-FQEVSTJZSA-N 424.419 4.206 0 3 HIAF CSc1ccc2c(c1)c(O)c(C(=O)N(C)c1cccc(C(F)(F)F)c1)c(=O)n2C 100989358 NAPAFOZDZPNTEI-UHFFFAOYSA-N 422.428 4.261 0 1 HIAF Cc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCC(C(=O)O)CC2)cc1 59081611 AWXNGVLQQNVMNB-UHFFFAOYSA-N 401.528 4.077 0 1 HIAF O=c1c(CN[C@@H](CO)Cc2ccccc2)coc2cccc(OCC3CCCCC3)c12 53312418 IGRXEMIVSCSPOS-JOCHJYFZSA-N 421.537 4.445 0 1 HIAF FC(F)(F)c1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1 21289933 SJWCAZQFRLTBAH-UHFFFAOYSA-N 416.447 4.353 0 1 HIAF O=S(=O)(CC(F)(F)F)c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1 28218918 NMUOANUVFLSYCU-UHFFFAOYSA-N 402.344 4.358 0 1 HIAF CN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1 21288924 ZKMZZIXDNQFKGJ-UHFFFAOYSA-N 421.302 4.165 0 1 HIAF CC=CC=Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@@H]1C2 2356636852 XXHQUPUACYOBLJ-KTEAYJLESA-N 412.526 4.459 0 1 HIAF CC1(C)CN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1CCO 22937986 UNEFAEQTOYZREV-UNMCSNQZSA-N 402.941 4.444 0 1 HIAF FC(F)(F)c1ccnc(N2CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c1 35997466 HPIOMDNDAPEQIC-UHFFFAOYSA-N 415.341 4.322 0 1 HIAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCCc4ccccc4)c3n2)CC1 40867076 OCRHDGXWCASCCR-UHFFFAOYSA-N 415.463 4.055 0 1 HIAF CC(C)n1cc(-c2cc(C(N)=O)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144879042 DNQNLKVQRDQOHB-FQEVSTJZSA-N 401.388 4.009 0 1 HIAF O=C(O)[C@@H]1Nc2c(F)cccc2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 250237350 LANXXLRUWCFLPO-VZOBEWTESA-N 422.865 4.484 0 1 HIAF CC1(C)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 653784799 IYOMQVFVKQEUGI-UHFFFAOYSA-N 400.404 4.381 0 1 HIAF Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2n1 586969551 MEDAJTXXSPOFHE-HUUCEWRRSA-N 420.542 4.115 0 1 HIAF C=CN1CCCC[C@H]([C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587591955 GSSNNTPGICDUGD-HCYUJWNOSA-N 419.477 4.275 0 1 HIAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587223788 GEGKVTJXFODHAB-KRWDZBQOSA-N 401.466 4.226 0 1 HIAF COCCn1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587345500 ZVYXYEHMWIOZPX-ISKFKSNPSA-N 424.472 4.265 0 1 HIAF CCOC(=O)[C@]1(c2ncccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340481 SXAJVDHQJRZPEY-RDPSFJRHSA-N 421.424 4.052 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2cccc(F)c2[nH]1)c1cc(F)ccc1F 587140114 GMXHSSOCFNEAQA-UHFFFAOYSA-N 403.385 4.448 0 1 HIAF COC(=O)C[C@]1([C@H](C)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597303 XZZVMYZYPSHJKW-XJDRPFMISA-N 418.445 4.459 0 1 HIAF O=C(COc1ccccc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1)Nc1ccccc1F 587153932 FMHVUHVQEPANID-UHFFFAOYSA-N 423.375 4.224 0 1 HIAF COc1cc(OC)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809623 UONSWICDYJNQKR-GIPWTMENSA-N 424.310 4.412 0 1 HIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587044678 NRIMHAKVMAPBQA-UHFFFAOYSA-N 421.328 4.306 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](N=O)C(=O)Nc1ccc(C)cc1C)CC2=O 587468319 FBZIKPCBWIHELI-GGAORHGYSA-N 410.470 4.459 0 1 HIAF COc1cc(C)cc2c1OCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587836400 UGZHHNYJNWEPSM-MPBGBICISA-N 406.295 4.466 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O[C@@H](C)C(=O)O)c(Cl)c1)[C@@H](C2)C3=O 587424120 XLQFFZVESJAQML-HHHBFUJPSA-N 423.248 4.343 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccc(N)cc2)N1 587747837 SGDAWAAQZLHJBE-LRTDBIEQSA-N 412.306 4.392 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc3c(c1C)C(=O)N/C(=C/Cl)N3)O2 587412996 LASDCZLKMKJSLI-IVGFIOLJSA-N 403.891 4.021 0 1 HIAF Cc1csc([C@](O)(Cc2nc3ccc(F)c(Br)c3[nH]2)C(F)(F)F)n1 587094318 PNJWWRXDFWEZHG-CYBMUJFWSA-N 424.217 4.222 0 1 HIAF COc1cc(C(=O)O)ccc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656754 MQMBDCNXKCSRCQ-UHFFFAOYSA-N 408.360 4.038 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cn3ccnc3)c2)N1 587755751 QKPBNFIIQNCNSI-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF C[C@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616176 IZLFPVWBJDCKLB-XVWGUNQUSA-N 404.418 4.047 0 1 HIAF CCOC(=O)C1CCN(c2ncccc2[C@H]2c3c(F)cccc3C[C@@H]3CCCN32)CC1 963088331 DXLMBMPGHAYVPV-CVDCTZTESA-N 423.532 4.110 0 1 HIAF Cc1cccc2c1N(C)C=C(C(=O)O)[C@@]21c2ccsc2CCN1Cc1cccn1C 962396958 IFDQKDOXBVBYHG-XMMPIXPASA-N 419.550 4.115 0 1 HIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2csc(C3CC3)n2)N1 963173377 LIYNIVLGECEMQQ-JSGCOSHPSA-N 402.825 4.381 0 1 HIAF CCCCCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 1772594192 NEHZFWWDTWSDKX-UHFFFAOYSA-N 415.582 4.170 0 1 HIAF CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12 13683948 NVXBFYPKOXNBBB-UHFFFAOYSA-N 408.498 4.078 0 1 HIAF COc1ccc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc2c1C(C)C 14945418 ZDZFUZHUXZBPET-UHFFFAOYSA-N 419.529 4.174 0 1 HIAF COc1ccc(C(SCCN2CCC[C@@H](C(=O)O)C2)c2ccc(OC)cc2)cc1 28902511 OARNNFYJLFXDNW-LJQANCHMSA-N 415.555 4.323 0 1 HIAF C[C@@H]1S[C@H](c2ccccc2F)N(c2ccc(Br)cc2C(=O)O)C1=O 38838573 SRWYLFBVQRFDFX-XXFAHNHDSA-N 410.264 4.454 0 1 HIAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(Cl)c(F)c2)C(=O)O1 40865050 GERVHRTVNLFBRJ-ZZKIFARHSA-N 412.885 4.300 0 1 HIAF CN(C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 49112284 ATFKFGZTHOJXBN-UHFFFAOYSA-N 407.562 4.340 0 1 HIAF O=C(Nc1ccccc1)c1cc2c(OCCCNCc3cccnc3)cccc2[nH]1 64503341 HKCCMIJKTGMLCV-UHFFFAOYSA-N 400.482 4.374 0 1 HIAF O=C(N[C@@H]1CCCC[C@@H]1CO)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66099091 SNMGRCYWZKLHMB-DGCLKSJQSA-N 402.800 4.295 0 1 HIAF C[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82206926 ASHZDRHXWHXUBL-QGZVFWFLSA-N 418.541 4.018 0 1 HIAF O=C(c1ccccc1)[C@@H](Cc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)c1ccccc1 84633798 PGUKAFBSUIWYBS-GGAORHGYSA-N 413.473 4.333 0 1 HIAF CCc1ccc(S(=O)(=O)N[C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@@H]3CC[C@@H]2C3)cc1 100802124 INAJNNOQCHGZGL-HKIJQORWSA-N 405.560 4.143 0 1 HIAF Cc1ccc(-c2cc(C(=O)NCc3cnccn3)cc(N(C)C(=O)C(C)C)c2)cc1 142658178 BSLXIDIQSRCRFR-UHFFFAOYSA-N 402.498 4.001 0 1 HIAF Cn1c(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc2c1-c1ccccc1C(=O)NC2 169352952 JGENBXKNWLOKRK-UHFFFAOYSA-N 415.468 4.004 0 1 HIAF CC(C)(C)NC(=O)C1CCN(Cc2csc(NC(=O)c3ccc(F)cc3)c2)CC1 210645236 MTMYLZWFGVNYOT-UHFFFAOYSA-N 417.550 4.266 0 1 HIAF CN(C)C(=O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914449 LZFQLMXVAXYLQI-UHFFFAOYSA-N 401.422 4.033 0 1 HIAF COc1cc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2cc1OC 586918912 SSGLSJCXEZNYTQ-UHFFFAOYSA-N 408.454 4.097 0 1 HIAF CCOc1cc(/C=C/c2nc3cc(N)c(N)cc3[nH]2)cc(Br)c1OC 586977832 JIBRUWWREVMEJA-SNAWJCMRSA-N 403.280 4.068 0 1 HIAF CC(C)(C)OC(=O)NC[C@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586988554 LRFILPKEJLHXDQ-GFCCVEGCSA-N 402.450 4.316 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2F)c1 587143548 IIYDBXUWHPWEHQ-UHFFFAOYSA-N 406.369 4.472 0 1 HIAF Oc1nc(O)c2ccc(-c3cnc4ccc(Br)cc4c3Cl)nc2n1 587365505 DHMHLURHTFAQRC-UHFFFAOYSA-N 403.623 4.067 0 1 HIAF CC[C@@H](C(=O)O)n1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587430276 GFFTYLTUVWGMSU-SDWUMEBZSA-N 405.450 4.348 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccccc1CS(=O)(=O)c1ccccc1)[C@@H](C2)C3=O 587449007 OCDSMVOYVOHJMS-GBXCKJPGSA-N 420.486 4.158 0 1 HIAF C=CN1CCCC[C@H]([C@@]2(c3cccnc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587477279 XCUYWDTUZPAZOW-CPJSRVTESA-N 420.509 4.373 0 1 HIAF COC(=O)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505075 UCGXOSWMCJHKKH-OAQYLSRUSA-N 415.283 4.362 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546116 IJVHXWGNARCUGZ-JTSKRJEESA-N 407.809 4.163 0 1 HIAF CC1=C[C@]2(CC(=O)N1Cc1ccco1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587579844 AAYQFIBQTJROGM-XUZZJYLKSA-N 417.417 4.022 0 1 HIAF C=CN1CCCC[C@H]([C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587591956 GSSNNTPGICDUGD-HMHJJOSWSA-N 419.477 4.275 0 1 HIAF CCOc1ccc(-c2nn(C(=O)c3ccc(C)o3)c(=O)c3ccccc23)cc1OCC 587670050 SYSHDORTAMPCIG-UHFFFAOYSA-N 418.449 4.451 0 1 HIAF COC(=O)CC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587731917 MAJGNFBAZIUXIV-FKIZINRSSA-N 424.285 4.458 0 1 HIAF COc1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587743019 MZPAPHDZMKMOEH-FKIZINRSSA-N 421.310 4.375 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@H]2Cn2cncn2)N1 587760989 RUCFUJSASJNHQK-WTANOLMUSA-N 407.331 4.190 0 1 HIAF CCC[C@H](CC1(c2nc3c(O)nc(O)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781181 FBJZXOPQSWGEMQ-MRXNPFEDSA-N 424.501 4.126 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=S)N(C)C)c2)N1 587842856 GRQIVFLJEDOCSV-VOJFVSQTSA-N 423.351 4.437 0 1 HIAF CCOC(=O)[C@@H]1CCSCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587856027 HSQIBMWEVVLYNN-FNFWKMNBSA-N 416.356 4.024 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc(N)sc3c2)N1 587857635 MEYDZDKMUVCWJT-LZVRBXCZSA-N 406.324 4.578 0 1 HIAF COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cc(C(=O)O)c3[nH]1)CC2 587934673 MEMFFZZQWBTDPL-NSHDSACASA-N 401.260 4.305 0 1 HIAF CCOc1cc(CC(C)=O)c(OCC)n1-c1cc2cnccc2c(Br)n1 587940614 JFMZHYLMEAXARA-UHFFFAOYSA-N 418.291 4.112 0 1 HIAF COc1ccc(OC2CCN(c3nc4ccncc4nc3NC(C)C)CC2)c(F)c1 653679175 MYTXSMNUCPYQMI-UHFFFAOYSA-N 411.481 4.041 0 1 HIAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c2ccccc12 962967508 NNMNQLMUOVZIKE-OXJNMPFZSA-N 403.812 4.468 0 1 HIAF Cn1c(C(=O)O)ccc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963819974 ZSVDCTLTWFEUPG-HSZRJFAPSA-N 401.466 4.019 0 1 HIAF CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 1772657147 BYJLEOXPONSXOY-IYARVYRRSA-N 416.591 4.113 0 1 HIAF O=C1NC2(CCCCC2)n2c1c(Cl)cc(Nc1ccc(C(F)(F)F)cn1)c2=O 1857578541 AVJHMASSDYGZTL-UHFFFAOYSA-N 412.799 4.019 0 1 HIAF Nc1ccc(S(=O)(=O)Cc2nc3ccccc3n2Cc2cccc(Cl)c2)cc1 1857634057 URQBRKXDEKUTDE-UHFFFAOYSA-N 411.914 4.294 0 1 HIAF CCC[C@H](O)[C@H](C)CCCCCCC[C@H](O)C[C@@H](O)CCCCC[C@@H](O)C(=O)O 2356340826 YXZHHELWIWHYJZ-LLVBAIKDSA-N 418.615 4.022 0 1 HIAF COC(=O)C1=CC[C@@H]2[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3C[C@H](O)[C@]2(C)[C@H]1O 2356807706 YARKFTGSBUNBRA-VVPPZMOKSA-N 404.591 4.486 0 1 HIAF COc1ccc(-c2ccc3c(c2)CN(C(=O)CCc2ccccc2)Cc2cnnn2-3)cc1 72137518 VHQXTQWTEIJUPV-UHFFFAOYSA-N 424.504 4.418 0 3 HIAF O=C(CSc1ccccc1)N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199716036 HFOSNQSKHNLKCR-LJQANCHMSA-N 402.947 4.130 0 3 HIAF COc1ccc(C(=O)Nc2cccnc2NCC2CCN(c3ccncc3)CC2)cc1 12355187 WKBVIYFWUMNAQD-UHFFFAOYSA-N 417.513 4.066 0 1 HIAF CCOC(=O)c1ccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)cc1 28767975 KBHQTWWVUNNEJW-UHFFFAOYSA-N 407.861 4.448 0 1 HIAF CC(C)N(CC[C@@](CCN1CCCC[C@H]1C)(C(N)=O)c1ccccc1F)C(C)C 39254155 HNJSVUQOEWVGOF-HYBUGGRVSA-N 405.602 4.322 0 1 HIAF Cc1cc([C@@H](O)CO)ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12 45347431 NPIPKTZIQRILBV-SFHVURJKSA-N 413.449 4.160 0 1 HIAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)Nc1cccc2cccnc12 62178820 BPXAFNCWBAHOMU-LPTDTENNSA-N 424.460 4.190 0 1 HIAF COC(=O)[C@H]1C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C 95556521 AWDBWNSWVGTRMV-RCZVLFRGSA-N 410.473 4.185 0 1 HIAF CCN(CC)CCOc1ccc2c(n1)C(C)(C)c1oc3cc(C#N)ccc3c1C2=O 114802912 RMMGGJDMWILEDC-UHFFFAOYSA-N 403.482 4.290 0 1 HIAF Cn1c(=O)ccc2c(NC(=O)N[C@H]3CC4(CCC4)Oc4ccc(F)cc43)cccc21 144119961 WEHVPUWXAOYTEK-SFHVURJKSA-N 407.445 4.246 0 1 HIAF O=S(=O)(NCC1CC1)c1ccc(Nc2cccnc2Cl)cc1C(F)(F)F 146064424 PAKBVBIXBHXATQ-UHFFFAOYSA-N 405.829 4.186 0 1 HIAF COC[C@@H]1CCCN1C(=O)[C@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169720819 BISDATDRFVQCJJ-JVPBZIDWSA-N 421.328 4.139 0 1 HIAF CC(C)N(C)c1nc2cc(-c3nn[nH]n3)ccc2nc1-c1cc2cc(F)ccc2o1 201827645 CMOZCWUJWRWTAM-UHFFFAOYSA-N 403.421 4.207 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2cccc3ccccc23)cc1 299833876 AIVQANJIFCWFLZ-GOSISDBHSA-N 419.428 4.357 0 1 HIAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC[C@H](O)CN(C)C 299836187 MUUINCHIPRPGLY-NBUHOVDFSA-N 401.591 4.286 0 1 HIAF N[C@H](Cc1cccc(Br)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586984035 MMAQMHUEPCWKTR-LLVKDONJSA-N 400.198 4.467 0 1 HIAF Cc1nc(Br)sc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587010979 KNJRQWYCHPJCFJ-UHFFFAOYSA-N 417.082 4.218 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587084368 KPPVRXFCXPWLNT-UHFFFAOYSA-N 406.667 4.240 0 1 HIAF Cc1ccc2c3c(cc(C[C@]4(O)C(=O)Nc5ccccc54)nc13)-c1ccccc1C2=O 587098231 WFKVRZYMBZJNPQ-AREMUKBSSA-N 406.441 4.137 0 1 HIAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587249339 IGBJSKGOATUBFU-UHFFFAOYSA-N 414.181 4.215 0 1 HIAF CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587339591 QUCNEUZOAUZYCE-URXFXBBRSA-N 403.409 4.152 0 1 HIAF CC[C@@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438532 PWGCLQPOKURNJR-JTUHZDRVSA-N 401.503 4.381 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N(CC)CC)cc1)CC2=O 587467029 BSCJNLWKJXRKEK-QFIPXVFZSA-N 411.498 4.298 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](N3C(=O)c4ccccc4C3=O)C1)CC2=O 587482023 YTPHOPVOBAWRFV-MQNRADLISA-N 419.477 4.288 0 1 HIAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccn1 587583742 XHUZWMXYGXBZRB-QPPBQGQZSA-N 413.433 4.158 0 1 HIAF COc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587743055 NHMFDCNFHKABAT-FKIZINRSSA-N 421.310 4.375 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCOCC3)c2)N1 587774885 QBISGVCVGTXFEI-QKKBWIMNSA-N 419.338 4.223 0 1 HIAF CCOC(=O)[C@@H]1Cc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587798183 OAEBHCAHWIJUTQ-ODLKPZKQSA-N 418.306 4.101 0 1 HIAF COc1ccc([C@]2(CC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587806700 IKDVVWQPDUYBAU-ODXCJYRJSA-N 406.295 4.354 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2c(c1)OCO2 587864571 LWEUDLSZYXRXRT-UHFFFAOYSA-N 404.344 4.385 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccc2[nH]c1=O 587865722 GRCDDHYOHKNBDF-UHFFFAOYSA-N 400.360 4.193 0 1 HIAF C[C@@]1(CCc2ccc(F)c(F)c2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962650784 ZXEWIEROBZIVKY-RPWUZVMVSA-N 410.464 4.460 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ccc(F)cc2)(c2cc(F)c(F)c(F)c2)N1 962917067 ZAEJJLTUSIDYJV-SIKLNZKXSA-N 419.349 4.273 0 1 HIAF COc1ccc(C(=O)OCc2c(OC(C)C)ccc3c(C)cc(=O)oc23)cc1OC 1857602450 QBFQOLDRUJIVFS-UHFFFAOYSA-N 412.438 4.263 0 1 HIAF CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1CC 95566866 JUDGMPRLUMJQJT-VXKWHMMOSA-N 413.539 4.399 0 3 HIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccsc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 13634475 YBNMBVQUARMXNJ-XPGWFJOJSA-N 401.528 4.288 0 1 HIAF Clc1cccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c12 13674830 PGWINTIXBMKEKI-UHFFFAOYSA-N 411.933 4.347 0 1 HIAF CCN(CC)C(=O)[C@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@@]4(C)[C@@H]3CC[C@]12C 26387559 SLZJMEMEWDUTRZ-DNMTXPOLSA-N 403.611 4.127 0 1 HIAF CC(=O)c1ccc2c(c1)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1c1ccccc1O2 29037495 APPVFRNAQIQCHZ-HNAYVOBHSA-N 404.388 4.384 0 1 HIAF Cc1ccccc1[C@@H]1CCc2c(C(=O)NC[C@@H]3CCCO3)cc3c(nc(C)n3C)c2O1 49088957 FBEZGWNICNPZQX-JTSKRJEESA-N 419.525 4.165 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(C(=O)NCCN2CCCC2)c1 49784727 WNTQVRKHNMCWJS-UHFFFAOYSA-N 420.435 4.175 0 1 HIAF Cc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccc3ncnn3c2)n1 72124719 JLQRMWIHEBEANL-UHFFFAOYSA-N 411.494 4.208 0 1 HIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccc(Br)s3)ccc12 96905440 SSDULGBDKYYIBO-QGZVFWFLSA-N 421.341 4.439 0 1 HIAF O=C(CC1CC1)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167419138 MJGQMKHYAFFOLK-UHFFFAOYSA-N 402.498 4.045 0 1 HIAF O=C(O)c1ccc(CCNCC(=O)N2CCc3ccccc3[C@H]2C2CCCCC2)cc1 299822793 DGOZODDVJGLFBX-RUZDIDTESA-N 420.553 4.223 0 1 HIAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 586946298 JIVCTKXLFJQCQJ-UHFFFAOYSA-N 423.563 4.407 0 1 HIAF Cc1onc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)c1COc1ccccc1Cl 587062821 BBBWOSRSISNWQG-UHFFFAOYSA-N 417.874 4.162 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc12 587127465 YBPGDVPPGLSFKX-WKEGUHRASA-N 415.217 4.200 0 1 HIAF COc1ncc(F)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 587175606 VDHNTAFUKMCPRM-UHFFFAOYSA-N 401.033 4.298 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1 587242241 POHNRMDAJDDCFX-UHFFFAOYSA-N 417.487 4.076 0 1 HIAF O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 587337978 WJPTUJZJCDHXHL-RBBKRZOGSA-N 400.352 4.056 0 1 HIAF C=C1NC(C)=Cn2nc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 587347137 OIBJOVKRMVGLHL-VWNXMTODSA-N 417.440 4.394 0 1 HIAF CC(C)(C)OC(=O)N1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347165 TWDPPSZMZDGQEW-AUSIDOKSSA-N 413.445 4.270 0 1 HIAF COC(=O)C[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349979 JJXNMZYSGIXADE-UKILVPOCSA-N 420.436 4.435 0 1 HIAF COc1ccc(Cn2nc(C)c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587431398 KIPRLSNVBDJBPF-NTKDMRAZSA-N 404.466 4.054 0 1 HIAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(OC)c4ccccc14)[C@@H](C2)C3=O 587440825 CWMAMNVLBBSRJZ-UQBPGWFLSA-N 418.445 4.365 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)N1CCCC1)CC2=O 587475831 QHNPNGXZIIFSNM-JOCHJYFZSA-N 409.482 4.052 0 1 HIAF CCOC(=O)[C@H](c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599642 YJBXPXWCBRQZEG-TXTKFYIRSA-N 404.418 4.069 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cccc(F)c2)N1 587728112 CTNCGYTYFLAANJ-NSPYISDASA-N 410.258 4.370 0 1 HIAF CCCOc1ccccc1[C@@]1(CN)N[C@H](C)Cc2cc(Br)c(F)cc21 587749731 QHZIFWZJBPHILP-ZUOKHONESA-N 407.327 4.114 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ncccn3)s2)N1 587853948 PBFTVORXYPNTKE-BJOHPYRUSA-N 405.296 4.125 0 1 HIAF CCOC(=O)c1ccccc1[C@@]1(C(C)(C)CC)N[C@H](C(=O)O)Cc2cc(F)ccc21 962899070 QGMMRMOBELMBEF-RDPSFJRHSA-N 413.489 4.281 0 1 HIAF Cc1cc(O[C@@H](C)[C@@]2(C)NCCc3c(C(=O)O)cccc32)c2c(C)c(C)c(=O)oc2c1 963121124 JDNORXZWHACGNW-IVCQMTBJSA-N 421.493 4.245 0 1 HIAF O=C([C@@H]1CCCN(c2ccc3nc([C@H]4C[C@H]4c4ccccc4)[nH]c3n2)C1)N1CCCC1 1772635581 HFOCECDVWJNTCW-AABGKKOBSA-N 415.541 4.068 0 1 HIAF Cc1[nH]c(=N)[nH]c1-c1cn(S(=O)(=O)c2cccc3ccccc23)c2ccccc12 1857569802 OEXOYPPMGZXWRP-UHFFFAOYSA-N 402.479 4.143 0 1 HIAF O=C(Nc1nc2ccccn2c1C(=O)NC1CCCCC1)c1c(F)ccc(F)c1F 1857603541 FZAASBHHOSDVAP-UHFFFAOYSA-N 416.403 4.066 0 1 HIAF CCCNC(=O)NC[C@@H]1C=C(C)[C@@H](Cc2nc3ccc(OC)nc3[nH]2)C[C@H]1C(C)C 2356286121 SMALVUWOUSFGQS-SQNIBIBYSA-N 413.566 4.073 0 1 HIAF CC1=CC(=O)O[C@]1(O)C=C[C@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@H]3C(C)(C)CCC[C@]32C)O1 2356653736 JDGXUUFIFAKRTF-KUGIMXMOSA-N 418.574 4.276 0 1 HIAF Cc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cc(C(=O)NCc2ccccc2)no1 61927236 WQTLPBOAAGRNQE-NRFANRHFSA-N 421.472 4.420 0 3 HIAF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 4205380 USZOQDIAEYNHIZ-ONTIZHBOSA-N 414.933 4.442 0 1 HIAF C[C@H]1c2cc(Cc3ccccc3)c(-c3ccccc3)n2CCN1Cc1cnc(N)nc1N 13520537 BYYHQKXHHYWFBF-SFHVURJKSA-N 424.552 4.277 0 1 HIAF CC(C)Cc1cc(C(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ccncc4)c3O2)no1 14981703 WRILBAJKTJGXFP-GOSISDBHSA-N 411.889 4.322 0 1 HIAF Cc1nc(C)c(COC(=O)c2ccc(Br)cc2Br)nc1C 26247389 ZXPJTEYYKOBULC-UHFFFAOYSA-N 414.097 4.284 0 1 HIAF CC[C@H]1C[C@@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 40380297 WBUZWMNIWAQICA-STQMWFEESA-N 408.593 4.438 0 1 HIAF OCc1ccc(-c2ccc(Oc3cncc4sc(-c5nnn[nH]5)cc34)cc2)cc1 40951864 DTTAJUIKFSBXFJ-UHFFFAOYSA-N 401.451 4.428 0 1 HIAF Cc1nc(C)n(-c2ccc(Nc3cc(-c4nn(C)cc4-c4cccnc4)ccn3)cc2)n1 71342058 YJGITIRYIUMDSV-UHFFFAOYSA-N 422.496 4.485 0 1 HIAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(F)(F)c3cccnc3)ccc1C2=O 95553646 POPYYVZUAWNIHD-UHFFFAOYSA-N 400.388 4.472 0 1 HIAF CO[C@]1(C(F)(F)F)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21 95594970 IOGCMOIXQITSER-FQEVSTJZSA-N 419.378 4.177 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1C 101417715 KKAKZTLYKANGNB-LZLYRXPVSA-N 412.490 4.057 0 1 HIAF Cc1cnc(C)c(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]3C2)n1 116827079 DKVIZUUTLAGTIC-ROUUACIJSA-N 404.539 4.030 0 1 HIAF CCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1C(F)(F)F 136058951 NMUVIUSWLTWQPR-SFHVURJKSA-N 411.420 4.457 0 1 HIAF Fc1cccnc1N1CCc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2CC1 137701017 BUDFGQOILPIZOH-UHFFFAOYSA-N 403.383 4.378 0 1 HIAF FC(F)(F)c1cccc(Nc2nc3cc(C4=NNNN4)ccc3c3sccc23)c1 167711719 DULSEUYAXIZUMK-UHFFFAOYSA-N 414.416 4.486 0 1 HIAF COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc2sccc2c1 169695615 WXLKBHGQJVVUQB-UXHICEINSA-N 407.491 4.408 0 1 HIAF O=C1c2cc(-c3ccc(C(F)(F)F)s3)ccc2OCCN1Cc1ncccn1 206214011 SEZRTIZCSSXZLK-UHFFFAOYSA-N 405.401 4.259 0 1 HIAF Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2C)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 250957511 LNALFQYNVIFRKC-UMVBOHGHSA-N 402.564 4.439 0 1 HIAF Cc1ccc2c(CC(=O)O)cn(-c3ccc(Cl)cc3Cc3cc(C)nn3C)c2n1 299823022 JKMRZCMOJVASME-UHFFFAOYSA-N 408.889 4.247 0 1 HIAF CCOC(=O)c1cc(Br)c2nc(-c3ccc4oc(=O)ccc4c3)[nH]c2c1 586916648 PXSWDDVRLZXANH-UHFFFAOYSA-N 413.227 4.276 0 1 HIAF CCCOc1cc2nc(CSc3nc(O)cc(CC)n3)[nH]c2cc1Br 586967376 YZGTZOITBMSMGR-UHFFFAOYSA-N 423.336 4.465 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587005046 KMILYVQJOQPUMN-UHFFFAOYSA-N 401.047 4.481 0 1 HIAF CCOC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 587019070 FLJFWTHRUVVRGH-UHFFFAOYSA-N 412.496 4.101 0 1 HIAF N[C@H](N=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587027471 RAQSICXWBWTZBV-SDWXPCGYSA-N 423.542 4.423 0 1 HIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587068674 AXFVWSMPBOIKDH-VIFPVBQESA-N 400.107 4.312 0 1 HIAF Fc1cc(Br)c2[nH]c(C(F)(Br)Br)nc2c1 587086605 FCMUCUPGIWCEIC-UHFFFAOYSA-N 404.834 4.334 0 1 HIAF O=C1C[C@H](c2nc3cc(Br)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150959 WBOVJGMOCREMDC-JTQLQIEISA-N 424.220 4.259 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(Cc3ccncc3)CC2)[C@@H]1c1ccc(F)cc1 587346062 RHGZYIHHTXIUDM-HSZRJFAPSA-N 418.468 4.320 0 1 HIAF CC[C@@]1(c2c(C)n(CC(=O)O)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430920 LDKBGAYZTMXNMH-MZNJEOGPSA-N 405.450 4.096 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@H]2N(Cc2ccccc2)C1 587585590 DXLMYAYFBJBJSG-LWQANXONSA-N 413.473 4.387 0 1 HIAF CCOC(=O)[C@H](c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599643 YJBXPXWCBRQZEG-VIZSFHNOSA-N 404.418 4.069 0 1 HIAF O=C(O)c1csc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619415 SGEOMLZIMHMFQA-VGSWGCGISA-N 408.431 4.345 0 1 HIAF O=C(COc1cc(F)ccc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658096 FSIYPARDMLIXSZ-UHFFFAOYSA-N 410.351 4.200 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(Cc3ccccc3)c2)N1 587756706 FCMAZRMFXYMCID-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF COc1cccc(/C=C/[C@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587804376 BBQIMGLONKZPML-PJDUKJKNSA-N 420.278 4.124 0 1 HIAF COc1ccc([C@@]2(CC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587806698 IKDVVWQPDUYBAU-MPBGBICISA-N 406.295 4.354 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(N[C@@H](C)Cc4ccc(F)c(Br)c41)[C@H](C3)C2 587807068 KWJWTOPHENWFAV-CRFUEDRYSA-N 422.338 4.317 0 1 HIAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)ccc1OCC(F)F 962640538 RFRLLXWOJZDIQY-LRTDBIEQSA-N 407.457 4.322 0 1 HIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc(CN4CCCC4)cs3)N12 962675407 WYDFHINXZXPLCZ-URXFXBBRSA-N 421.566 4.080 0 1 HIAF CCOC(=O)[C@]1(c2ccc(Cl)nc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962722062 YCWMJBXDZNQFIW-VFNWGFHPSA-N 420.937 4.044 0 1 HIAF Cc1nc2ccc(-c3ccc(CN4CCC[C@@H]4CO)cc3)cc2n1C[C@H]1CCCO1 1772576853 WQSNRUPTXRLHMZ-DHIUTWEWSA-N 405.542 4.147 0 1 HIAF O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1 1911571936 HSDFVFRHCNLNMJ-DEOSSOPVSA-N 414.505 4.073 0 1 HIAF COCCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N(C)Cc2ccccc2)C[C@@H]1C(C)C 2356319185 LRSSOKLGJVJKIM-RJGXRXQPSA-N 414.590 4.042 0 1 HIAF CC(=CCCC(=CC[C@H](O)C1=CC(=O)O[C@H]1O)CO)CCC1=C(C)CCCC1(C)C 2356421460 KSNNYMFBQQASJN-LADGPHEKSA-N 418.574 4.491 0 1 HIAF COc1cc(O)c([C@H](CC(=O)N2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1 13661440 MDJOJUOFAZKAPL-HXUWFJFHSA-N 412.530 4.010 0 3 HIAF CC[C@H](C(=O)Nc1c(C)cccc1C)N1/C(=C2\C=CC(=O)N=C2)Nc2ccccc21 199235290 ANFJXZUNVHHHOY-BFWROUECSA-N 400.482 4.331 0 3 HIAF COCc1[nH]nc2c1[C@@H](c1cccc(C(F)(F)F)c1)N(c1ccc(OC)cc1)C2=O 199729254 QVAXJTFTSWLZGA-LJQANCHMSA-N 417.387 4.333 0 3 HIAF COc1ccc(N2CC[C@@H](c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1 3987181 VVRMNONXXCXQMP-QFIPXVFZSA-N 424.541 4.089 0 1 HIAF Cc1ccc(C2=NC(=O)[C@@H](c3c[nH]c4ccccc34)N(C(=O)c3ccccc3)N2)cc1 4019038 NUQXYLMEVQSJAJ-JOCHJYFZSA-N 408.461 4.151 0 1 HIAF CCCC(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@@H](C(C)(C)O)C2 13461264 ADRUKWOHXVJUSH-QGZVFWFLSA-N 408.450 4.223 0 1 HIAF biogenic O=C(NCCN1CCCC1)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12 20490401 QQCACWDXXMJDDP-UHFFFAOYSA-N 408.502 4.181 0 1 HIAF CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2)[C@H](c2ccccc2)O1 28368239 RWHAAMDOMGVFSN-IRXDYDNUSA-N 405.292 4.463 0 1 HIAF CN1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C)C2=O)CC1 28569819 BUBAWRGTUJWAJK-LEWJYISDSA-N 423.944 4.154 0 1 HIAF CCN(CC)S(=O)(=O)c1cccc(-c2ccc(CCN3CCC[C@@H]3C)cc2)c1 43121191 BKHMOUFGCCWIFM-IBGZPJMESA-N 400.588 4.411 0 1 HIAF CCn1c(CN2CCN(c3nc(C(F)(F)F)ccc3Cl)CC2)nc2ccccc21 45352888 SENYYMQSVXMKIL-UHFFFAOYSA-N 423.870 4.446 0 1 HIAF COC(=O)[C@H](C)NC(=O)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1 49069784 YXJQVTXYDDGEAK-KRWDZBQOSA-N 415.493 4.114 0 1 HIAF CCCN1N=C2/C(=C/c3ccc(OC)cc3)C[S@@](=O)C[C@@H]2[C@H]1c1ccc(OC)cc1 58482288 QIQPCXWPRNOEQS-SXEQJRCUSA-N 424.566 4.289 0 1 HIAF O=C1NC(=O)[C@](c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)(C2CCCCC2)O1 71331260 WQIAJZRSJNRWOS-XMMPIXPASA-N 402.450 4.237 0 1 HIAF O=C(NC1(C(=O)O)CCC1)c1ccc2ccccc2c1OCCOc1ccc(F)cc1 96170068 KTSRPYYTSZQQEJ-UHFFFAOYSA-N 423.440 4.174 0 1 HIAF [C-]#[N+]c1ccnc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c1 96172461 DTOJYLBPWJOQLD-XLIONFOSSA-N 412.497 4.113 0 1 HIAF CN(CCOc1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccn1 96906741 UBXAPUIWHAXSMJ-DEOSSOPVSA-N 419.550 4.371 0 1 HIAF CCn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)c2ccccc21 100632917 AGCNVMQBGLWVOV-DNVCBOLYSA-N 419.550 4.335 0 1 HIAF O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCN(c4ccccc4)CC3)nc2c1 116230000 KTIROGJCOITTNP-UHFFFAOYSA-N 410.477 4.322 0 1 HIAF COc1cc2c(c(OC)c1OC)[C@H](c1cc(Br)ccc1F)CC(=O)N2C 219429071 IXEDAOOYLWIWEM-LBPRGKRZSA-N 424.266 4.112 0 1 HIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Br)c(C)cc3[nH]2)cc1 586937541 QDLSAVPFLATOHK-LBPRGKRZSA-N 422.348 4.378 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(=O)O)cc3[nH]1)N2 587031133 LUKBIFVNYBJWTP-UQDQQJHMSA-N 414.512 4.388 0 1 HIAF Clc1cnn(COc2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)c1 587081636 DNSMKPWXJYHRLB-UHFFFAOYSA-N 404.655 4.274 0 1 HIAF Nc1ccnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12 587153351 QAMZUFJDBFQWQU-UHFFFAOYSA-N 417.473 4.219 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587167014 DTTRZZWKKXXPFW-SFHVURJKSA-N 408.412 4.396 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)cnc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587240299 SDUYUKBJTFQPOB-YOKVUHJFSA-N 424.904 4.305 0 1 HIAF COC(=O)Nc1ccc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cn1 587244335 CWJFUNJWNJZGCA-UHFFFAOYSA-N 405.252 4.353 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)([C@H]2CCCNC2)[C@H]1c1ccc(F)cc1 587349720 VLSMKHNYPHVEBR-XPEQFSOGSA-N 418.468 4.180 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1=C(N3CCOCC3)/C(=C/c3ccccc3)CC1)O2 587397975 DCJKDPODRODCEC-SIAYCOCNSA-N 416.521 4.375 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1coc4cc(Br)ccc4c1=O)[C@@H](C2)C3=O 587417435 KMUNGHNRWQRJTA-RBZFPXEDSA-N 413.223 4.053 0 1 HIAF COC(=O)c1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587597309 YDNQOQWHLSRTNF-CTNGQTDRSA-N 404.418 4.142 0 1 HIAF COCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587599190 WIQFWXIJJHGZEZ-ZJSXRUAMSA-N 422.433 4.129 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)ncnc2Cl)N1 587704543 JHBAUAMNZWUTLA-MLXNANBUSA-N 405.098 4.483 0 1 HIAF CCn1ncc([C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587723394 WOOKUSJVXROATB-HUTHGQBESA-N 402.258 4.156 0 1 HIAF COc1ccc2c(c1)nc([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)n2C 587760604 ZBSPVCFGQVEAGR-YPMLDQLKSA-N 404.283 4.107 0 1 HIAF CCCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587767822 JWCMMJLVRCJKRO-ODXCJYRJSA-N 403.295 4.123 0 1 HIAF C[C@H](Oc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O 587791186 IZZOPZYDWWRCPP-LIBAHTEVSA-N 408.267 4.064 0 1 HIAF CN(C)[C@@H](Cn1c(O)cc(-c2ccc(N)cc2)c1O)c1cccc(Br)c1 587939865 GCAMOSVJWSFUKS-SFHVURJKSA-N 416.319 4.214 0 1 HIAF COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccnc(Br)c2)cc1 587941218 SAMGEILGBBFCNE-UHFFFAOYSA-N 401.260 4.328 0 1 HIAF O=C(/C=C\c1ccc(O)cc1)N1N=C(c2ccncc2)O[C@H]1c1c[nH]c2ccccc12 653721966 VOFCTMJPMZNJDR-DUFUGNAASA-N 410.433 4.201 0 1 HIAF CNC(=O)c1cccc(OCCCCN2CCN(c3cccc4sccc34)CC2)c1 653871709 RYXYJLZLSOOSMR-UHFFFAOYSA-N 423.582 4.242 0 1 HIAF O=C1C[C@]2(C[C@@H](c3ccco3)[C@H]1n1cncn1)NCCc1cccc(-c3ccccc3)c12 962671067 WECSCJHRORKBQI-BYXVTNLJSA-N 424.504 4.267 0 1 HIAF C[C@@]1(c2ccc(OC3CCOCC3)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962759162 BIXFDDKZAPVZCN-IRLDBZIGSA-N 419.443 4.154 0 1 HIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(-n3cnc4ccccc43)cc2)N1 963223441 ATSXKEAGBQBVIU-ZCYQVOJMSA-N 420.472 4.262 0 1 HIAF CO[C@H]1CCC[C@@]2(C1)c1c(C)cccc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963904080 OIQWRIDTGSQCHN-IEGUWTFLSA-N 403.519 4.416 0 1 HIAF O=C(CCN1CCC(CCc2ccccc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 1857543309 IAQQITVVEGJRNS-SANMLTNESA-N 419.613 4.112 0 1 HIAF NCc1cc(=O)c2ccc(OCc3cccc(C(=O)Nc4ccccc4)c3)cc2o1 1857548631 HKODUKTYIDTKFI-UHFFFAOYSA-N 400.434 4.083 0 1 HIAF CCCC=C1OC(=O)C2=C[C@H]3CC[C@@]12[C@@H]1C2=C(CC[C@@H]31)C(=CC[C@@H](C)CO)OC2=O 2356357798 LOVKMDKTRUJTIN-MYYXPWATSA-N 410.510 4.346 0 1 HIAF CCCCN1C[C@H](CSC)[C@@H](CC(=O)Nc2ccc(Br)cc2)C1=O 61923598 XRQZFAYRQQGPFB-CZUORRHYSA-N 413.381 4.015 0 3 HIAF COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@H]1c1ccc(Cl)cc1 95599586 IDOZROOMSBNPGZ-SFHVURJKSA-N 404.894 4.358 0 3 HIAF COc1cccc(-c2ccc3c(c2)[C@H]2c4cnnn4-c4ccccc4C(=O)N2CC3)c1 199736313 YRFSRMJLTSDZFN-DEOSSOPVSA-N 408.461 4.044 0 3 HIAF O=C([C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)N1CCOCC1 767092 AFDDYPGUEZLJHR-UKILVPOCSA-N 412.489 4.304 0 1 HIAF COC(=O)[C@H]1C[C@@H]1[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 8019359 GEWBGEMWHVXRLS-RJGXRXQPSA-N 421.518 4.182 0 1 HIAF O=C(CCCN1C(=O)c2ccccc2Sc2ncccc21)NCCc1cccs1 9114959 CRUSNHGQLDLZPO-UHFFFAOYSA-N 423.563 4.394 0 1 HIAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1cccc(N)c1 11689574 GZGGYQMNFMHDFI-FQEVSTJZSA-N 406.357 4.414 0 1 HIAF O=C(O)CCCCCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13730305 OKWYADKRDVGHRG-SFHVURJKSA-N 410.923 4.180 0 1 HIAF Cc1cccc(SC[C@@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 13805715 JQFLCIIQNZIBOE-KMHBYZIFSA-N 424.603 4.011 0 1 HIAF CCC(=O)N(c1ccccc1)C1(COC)CCN([C@H](C)[C@@H](O)c2cccs2)CC1 27980043 OZSJJACQMYZOPH-XMSQKQJNSA-N 416.587 4.094 0 1 HIAF CC(C)CC(=O)O[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 27981350 ACBUMLHZTSHRKJ-JSRCBNIJSA-N 404.547 4.196 0 1 HIAF COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1 28818031 AHOJZWPBIHIALS-RUZDIDTESA-N 412.549 4.475 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](CC(=O)NCc1ccco1)C2=O 40812363 NSHKXWHQUTUXRS-KEWSPCRVSA-N 407.510 4.343 0 1 HIAF in-vivo COC(=O)[C@@H](CCN1[C@@H]2CC[C@@H]1CC(n1c(C)nc3cccnc31)C2)c1ccccc1 100102156 MPNHDCJDAQDVGE-SJBKTWHCSA-N 418.541 4.255 0 1 HIAF CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 103542081 TYDXHROSPWGDPO-NHFXJNLRSA-N 405.458 4.062 0 1 HIAF COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)c(OC)c1OC 104003358 QYCHWKGENZAQBV-IBGZPJMESA-N 415.486 4.472 0 1 HIAF CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(Cl)c2)c1 200362341 ABXMPGQGXIVRSU-SFHVURJKSA-N 424.975 4.162 0 1 HIAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(CC(=O)O)cc3)c2F)cn1 212175327 PSHGDLYSRTWWDP-UHFFFAOYSA-N 407.445 4.339 0 1 HIAF COC(=O)[C@H](N)C[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C 253660892 UASYBMLHVWZBST-AYNNDYFXSA-N 408.627 4.288 0 1 HIAF C[C@@]1(c2ccccc2)SC(NC(=O)c2ccccc2)=NN1C(=O)c1ccccc1 299840969 XBIHLQKPEZWKNQ-QHCPKHFHSA-N 401.491 4.450 0 1 HIAF CO[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 299848960 YFCXYSVMBVPMGK-ZRHMCGCKSA-N 422.606 4.103 0 1 HIAF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(O)cc3[nH]2)C[C@@H](C)O1 586968392 NVOVOLVUERZXSF-ZIAGYGMSSA-N 421.526 4.118 0 1 HIAF CC(C)(C)OC(=O)N1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586988619 SRPQPNGEADHZDL-UHFFFAOYSA-N 402.450 4.445 0 1 HIAF COC(=O)c1cccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 587019597 QNLVHCWFDQBWPJ-UHFFFAOYSA-N 407.455 4.041 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4c(cc3[nH]1)OCO4)N2 587033618 YZRIHBQVKZUCIC-YSIZRHRHSA-N 414.512 4.419 0 1 HIAF CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cnccc2[nH]1 587219426 OLBSYQJULYVECG-QGZVFWFLSA-N 410.474 4.047 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(Br)o1)[C@@H](C2)C3=O 587417244 KJYQMZOYZULAPO-RMLUDKJBSA-N 414.049 4.302 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(I)ccc1O)CC2=O 587473164 XVXAMADBUWSBER-QGZVFWFLSA-N 424.234 4.361 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(CO)cc21 587489520 NSHBTDVYYQHPGE-SANMLTNESA-N 414.457 4.290 0 1 HIAF C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511548 LOSIJSYXMVQJJL-OFJJYEOVSA-N 415.530 4.219 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570734 XLNRYUDVLFUCJZ-URXFXBBRSA-N 422.408 4.342 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCn1c(O)nc3cccc2c31 587588602 UEIURNUMRKYLJC-YADARESESA-N 414.417 4.098 0 1 HIAF C[C@]1(c2cc(N3CCCC3)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594644 NGXXHHWVYIKVEF-RCZVLFRGSA-N 416.477 4.452 0 1 HIAF O=C(c1ccc(OC(F)F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658889 UOZRGCVSHZRPAH-UHFFFAOYSA-N 410.351 4.493 0 1 HIAF CCn1cc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587682202 KKWLPYUJTDPMME-VXJOIVPMSA-N 417.120 4.191 0 1 HIAF CC(C)N1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587769057 MMRXZHIAEUAVGU-MPBGBICISA-N 403.295 4.121 0 1 HIAF COc1ccc(OC)c(-c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n[nH]2)c1 587875163 HATQDLLKOGEYDD-UHFFFAOYSA-N 406.373 3.891 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@]2(CCC[C@@H](C(F)F)C2)N1 962926030 KXOKMTTUFLEHFZ-LNHNDHHWSA-N 403.425 4.434 0 1 HIAF Cc1cc(Nc2cc(C(C)(C)C)ccn2)nc(-c2ccc(N[C@@H]3CCNC3=O)nc2)c1 1772650120 QDSRJUXJXOWCSQ-GOSISDBHSA-N 416.529 4.189 0 1 HIAF O=C(OCc1cccc2ccccc12)c1nc2c(OC3CCNCC3)cccc2o1 1857538339 YRSPJAVYNXELHW-UHFFFAOYSA-N 402.450 4.469 0 1 HIAF O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4054917 JBCKGNAWJNZXKM-GGAORHGYSA-N 420.896 4.207 0 1 HIAF CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 4206285 GPOBRHWJZYGGCV-ZEYPLWLESA-N 422.912 4.472 0 1 HIAF COC(=O)c1cccc2[nH]cc(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12 13776645 ARVFGNKAVFTGCL-UHFFFAOYSA-N 424.460 4.287 0 1 HIAF C=C1CCCC(C)(C)[C@@H]2CC[C@](C)([C@@H]3COC(=O)[C@H](OC(C)=O)[C@H]3COC(C)=O)[C@@H]12 14697227 NVMIJLBYBUHQPS-GJMMDCNQSA-N 420.546 4.069 0 1 HIAF biogenic O=c1cc(-c2ccccc2)oc2cc(OCCCCCCN3CCOCC3)cc(O)c12 28565905 IKWFAVPGODFQFW-UHFFFAOYSA-N 423.509 4.437 0 1 HIAF O[C@H]1OC[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 40848001 HTSKDJMXBBFKKG-ZJSPYRCASA-N 420.505 4.091 0 1 HIAF CS(=O)(=O)c1cccc(-c2cnc(N)c3cc(-c4ccc5c(c4)OCO5)ccc23)c1 45189202 ITVIXHVWADBTBO-UHFFFAOYSA-N 418.474 4.283 0 1 HIAF c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(CN[C@@H]4CCCOC4)cc3)c2)nc1 45253985 ACIPLQBWITUNBA-OAQYLSRUSA-N 411.509 4.469 0 1 HIAF COc1ccc([C@@H]2[C@@H](c3ccoc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 71317317 KRQMXQFGISLTHJ-NHCUHLMSSA-N 409.438 4.186 0 1 HIAF COc1cc(CNCc2coc(-c3ccccc3Br)n2)cc(OC)c1 72184819 NSLWUZKYFARLKR-UHFFFAOYSA-N 403.276 4.411 0 1 HIAF CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82069045 CVAHSCIORHBWPP-IBGZPJMESA-N 407.539 4.068 0 1 HIAF O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)Nc1ccccn1 84653224 VSCOHVYQNPSUGJ-UHFFFAOYSA-N 401.514 4.090 0 1 HIAF CCOC(=O)c1cccc(-c2cc3c(C)nc(NC)nc3n(C3CCCC3)c2=O)c1 140283963 QUGVWQRYKBECCI-UHFFFAOYSA-N 406.486 4.100 0 1 HIAF COC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F 143922132 DMQWKKMEUVXKQM-UHFFFAOYSA-N 407.129 4.239 0 1 HIAF O=c1c(Cc2ccc3c(c2)OCO3)c(C(F)(F)F)[nH]n1Cc1cccc(Cl)c1 148077109 LRZKNSDCFGNUNI-UHFFFAOYSA-N 410.779 4.216 0 1 HIAF COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 169695372 JCYYMPXQRKTVFQ-VXKWHMMOSA-N 417.461 4.454 0 1 HIAF C[C@@H]1COc2c(CNc3ccc(Cl)cc3)c(F)cc3c(=O)c(C(=O)O)cn1c23 207022455 LYLPQKKKTUJYHJ-SNVBAGLBSA-N 402.809 4.058 0 1 HIAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(F)c2)c(F)c1 224775239 BITBIVMIGMNAGK-UHFFFAOYSA-N 417.481 4.353 0 1 HIAF COc1ccccc1-c1cccc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)n1 261142132 NGOGQQVAUHTHCI-LJQANCHMSA-N 410.857 4.356 0 1 HIAF O=C(O)c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1F 587001017 KFZQTMNYYMTCRD-UPHRSURJSA-N 419.206 4.104 0 1 HIAF Brc1cnc(Br)c2[nH]c(-c3csc4c3CCOC4)nc12 587032061 OSJQDZLSCZVKCR-UHFFFAOYSA-N 415.110 4.284 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(N)=O)cc2[nH]1)c1cccc(Cl)c1 587071520 NWUATRMZDPFFKM-INIZCTEOSA-N 414.893 4.124 0 1 HIAF O=C(c1cnc(Cl)c(Cl)c1)c1c(CO)oc2cc(Br)cnc12 587276715 TUYCIBXKYKKDBT-UHFFFAOYSA-N 402.031 4.015 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3cc(C)c(C(=O)O)o3)cc1)O2 587403094 FGSNNAORVSEORI-HXUWFJFHSA-N 407.422 4.462 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1CS(=O)(=O)c1ccccc1)O2 587408655 HOAZJSSQSWRPBY-JOCHJYFZSA-N 407.491 4.258 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4[nH]nc(Nc5ccccc5)c41)[C@@H](C2)C3=O 587438583 GSTFSLQKTLEUKN-GKVSMKOHSA-N 415.493 4.777 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NC[C@@H]3CCCO3)nc1C)CC2=O 587494214 KBRAXZDWXUTURF-RCDICMHDSA-N 416.543 4.581 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550872 CJVKKZNPJYPEOT-VGOFRKELSA-N 407.809 4.163 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Br)cc1F 587569676 SBAUILKVMDBHGJ-DNVCBOLYSA-N 416.202 4.392 0 1 HIAF Cc1nnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 587588929 VJFRYMPYLWCEHD-SIKLNZKXSA-N 400.390 4.454 0 1 HIAF COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587594907 PUDSNOCONOTHBL-NFBKMPQASA-N 408.406 4.121 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(Cl)s1 587615159 WSLWKLRYBWNUNZ-DNVCBOLYSA-N 402.811 4.049 0 1 HIAF C[C@H]1CN(Cc2ccccn2)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587759335 FXNVVRHSANLAPQ-ZSDSOXJFSA-N 418.354 4.255 0 1 HIAF COC(=O)c1[nH]c(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587794404 UQSYNHDNHQDEJP-ZRNGKTOUSA-N 409.299 4.117 0 1 HIAF Cc1cc2ncc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)n2n1 587797758 SROUDUGXIWLOPQ-DGIBIBHMSA-N 403.299 4.045 0 1 HIAF O=C(/C=C\c1ccccc1O)N1N=C(c2ccncc2)O[C@@H]1c1c[nH]c2ccccc12 653720693 YJFKFHHJISZHRS-OPSAWKISSA-N 410.433 4.201 0 1 HIAF COc1cc2c(cc1OC)[C@]1([C@H]3CC[C@@H]1CN(C(=O)OC(C)(C)C)C3)N(C)[C@@H](C)C2 962559396 BWAFXWWNSLOHOF-GCMIKPLOSA-N 416.562 4.052 0 1 HIAF COc1ccc2nc([C@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)[nH]c2c1 962639671 LQPGXZMXVZLYMR-NBGIEHNGSA-N 410.521 4.408 0 1 HIAF O=C(O)c1cccc2c1CCN[C@@]21C(Br)=COc2cc(Cl)ccc21 963125163 RYSGJGKUYRMAFB-SFHVURJKSA-N 406.663 4.056 0 1 HIAF COc1ccc2cc([C@@H]3NCCc4c(C(=O)O)cccc43)c(N3CCCCC3)nc2c1 963130206 IRHYSKJDGLADEJ-HSZRJFAPSA-N 417.509 4.167 0 1 HIAF C[C@@]1(c2c(N)cc(F)cc2F)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186344 SSDPVDPLDAGTOX-WMLDXEAASA-N 420.765 4.082 0 1 HIAF Cc1cc2c(cc1O)[C@@H](c1ccc(OCc3ccccc3)cc1C)N[C@H](C(=O)O)C2 963512515 XBQFUPLCRCDTKW-LADGPHEKSA-N 403.478 4.276 0 1 HIAF COc1cc(O)c([C@H](CCN2CCC[C@@H](C)C2)c2ccc3c(c2)OCO3)c(OC)c1 13661578 MGXRZPBUKHOSJG-VQIMIIECSA-N 413.514 4.392 0 3 HIAF CC1(C)C(=O)C=C[C@@]2(C)[C@@H]1C(=O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321 3978094 MQDRUGPJOPOTJB-AFSZZUGFSA-N 422.521 4.267 0 1 HIAF CCOC(=O)CSc1nc(O)c2sc(=S)n(-c3ccc(C)cc3C)c2n1 5091899 GBEWOKGJFJYTAD-UHFFFAOYSA-N 407.542 4.189 0 1 HIAF C[n+]1ccn(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1Cc1ccccc1 13651165 AYEFZTWOROCIRV-RUZDIDTESA-N 423.536 4.205 0 1 HIAF O=C(Cc1ccc(Br)cc1)N1CCc2ccccc2[C@@H]1CN1CCCC1 26579108 CKUAYOQADHCCJL-NRFANRHFSA-N 413.359 4.213 0 1 HIAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1c[nH]c2ccccc12 26947742 MMUYOJURFQMFAB-HXUWFJFHSA-N 412.530 4.030 0 1 HIAF Cn1c(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)nc2ccccc2c1=O 35826750 GHDVYRGWQMIMIH-UHFFFAOYSA-N 403.526 4.386 0 1 HIAF CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1 35918956 MLIYUVZSBYCPSQ-UHFFFAOYSA-N 405.489 4.291 0 1 HIAF Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCC3)C2)cc1 72123275 VTYNAGSOHIRPRR-JOCHJYFZSA-N 402.542 4.423 0 1 HIAF CCc1oc(-c2ccccc2S(C)(=O)=O)cc1C(=O)Nc1nc2c(s1)CCC2 72181499 AEUWEGCQLREBEG-UHFFFAOYSA-N 416.524 4.110 0 1 HIAF O=C(NCCCCN1CC[C@H](Oc2ccc(F)cc2)C1)Nc1ccc(F)c(F)c1 73129358 MCJUGFQQIQFBPW-SFHVURJKSA-N 407.436 4.159 0 1 HIAF COC(=O)[C@H](Cc1ccccc1)N1C(=O)O[C@H](Cc2ccccc2)[C@@H]1/C=C/C1CC1 95784839 QBWKXBVSWDZUEM-QXLMFKAZSA-N 405.494 4.169 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](c3ccccc3)S2)cc1 96273660 YPQXVNKTJNZZFB-OAQYLSRUSA-N 402.523 4.455 0 1 HIAF CC(C)OC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 96286031 FNTWGXGOCVTLKR-QGZVFWFLSA-N 407.513 4.325 0 1 HIAF COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 96933404 OODHUQZPZLVRNY-UHFFFAOYSA-N 404.175 4.489 0 1 HIAF O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2cccc(Cl)c2)c1 103247911 XVUZVWSGEMVJHM-WOJBJXKFSA-N 400.906 4.224 0 1 HIAF COc1ccc([C@@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)c(OC)c1OC 103273634 ZVKOKAOCFGHKQJ-NRFANRHFSA-N 419.481 4.267 0 1 HIAF O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CCN1 147827646 MUDOQBNBPUOSLT-UHFFFAOYSA-N 416.912 4.254 0 1 HIAF C[C@H]1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)C1 169706710 KLXLMLWCDCJXCC-HNNXBMFYSA-N 414.517 4.474 0 1 HIAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CC[C@H](C)C3)c2n1 207617281 CXIOQFGQPOLEPX-HNNXBMFYSA-N 415.501 4.024 0 1 HIAF COc1ccc2c(c1O)-c1cc(ccc1O)/C=C/C(=O)O[C@@H]1C[C@@H]2N2CCCC[C@@H]2C1 238760888 WBNJBVAHRALIOS-NIPKLGHLSA-N 421.493 4.401 0 1 HIAF COc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1F 587001356 NODAOOKMDBCNIE-NSCUHMNNSA-N 405.223 4.415 0 1 HIAF COC(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1OC 587012123 GQGDUBIMSCLPNU-UHFFFAOYSA-N 408.277 4.122 0 1 HIAF Nc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587340122 VCOYPQAFGHXAQF-LADGPHEKSA-N 421.424 4.233 0 1 HIAF CCOC(=O)C[C@@]1(c2cc(F)c(F)c(C)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423473 KOXWQTYUTYQYFF-PEBXRYMYSA-N 420.383 4.017 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1S(=O)(=O)CC)CC2=O 587484009 HKCAGOVDGMKQHW-GOSISDBHSA-N 408.903 4.498 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1c(Cl)ncnc1Cl 587555030 ZCSOUYNOWWKWGF-CABCVRRESA-N 403.221 4.062 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2ccccn2)N1 587752808 GIFRHPIJBFPCDO-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nccn2C)(c2ccccc2)N1 587755703 QCUISPDYHUYVEB-LHSJRXKWSA-N 414.322 4.342 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)s2)([C@@H](C)O)N1 587848904 PTMFNUSWRTZEQM-LGZSNQIQSA-N 404.732 4.462 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1cccc(C)c1 587868187 WXEBWBBOJDJATA-ZDUSSCGKSA-N 405.376 4.389 0 1 HIAF Oc1cc(O)c2cc(-c3cc(I)c(O)c4ncccc34)oc2c1 653757068 DSAFDYWSTXNLSD-UHFFFAOYSA-N 419.174 4.369 0 1 HIAF COc1ccc2c(c1OC)[C@](CC(=O)C(F)(F)F)(c1ccc(C)o1)N(C)[C@H](C)C2 962626862 NHQXNXPYZOECEH-ODXCJYRJSA-N 411.420 4.247 0 1 HIAF CC(C)CCN1c2nc(Nc3cc(Cl)c(O)c(Cl)c3)ncc2N(C)C(=O)[C@H]1C 1911570531 FFZJIFBTRFIHML-LLVKDONJSA-N 424.332 4.450 0 1 HIAF O=C(c1ccccc1)c1ccc(OC[C@@H](O)CN[C@H]2CCCc3ccccc32)cc1 3446507 LVUSIYDZJCXTSI-DHLKQENFSA-N 401.506 4.325 0 3 HIAF COCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccccc21 3819756 YNSYFJYJHVDOEP-UHFFFAOYSA-N 422.525 4.374 0 1 HIAF COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4211692 UGFAVJZEAMHPMC-FPOVZHCZSA-N 410.857 4.350 0 1 HIAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc43)CC1)C(=O)C2 27305826 FNKXXRGICBRBQT-NTKDMRAZSA-N 415.599 4.082 0 1 HIAF CCOc1ccc(C(=O)Nc2cc(Br)c3c(c2)CNCC3)cc1Cl 33988357 USVNSSAHWKZLKN-UHFFFAOYSA-N 409.711 4.399 0 1 HIAF O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C(F)(F)F)cc1 221947437 KPPMZPXVFQSIFU-MRXNPFEDSA-N 404.171 4.425 0 1 HIAF c1ccc(CCc2nc3c(NCc4cccs4)ncnc3n2C[C@@H]2CCCO2)cc1 82178066 ZXXFCUGNZXUWOV-SFHVURJKSA-N 419.554 4.464 0 1 HIAF CCCc1nc2c(NCCc3ccccc3F)ncnc2n1CCc1ccccn1 82180981 FFCWHLVBBLSUSL-UHFFFAOYSA-N 404.493 4.210 0 1 HIAF NC(CO)(CO)CCc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl 49066721 VPTJYPCWAQUHPP-UHFFFAOYSA-N 411.929 4.201 0 1 HIAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccnnc4)ccn23)c1 139548659 AGCOSWIEKPMLEI-UHFFFAOYSA-N 412.375 4.142 0 1 HIAF CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(C(=O)O)(CC2)CC3)cc1 40901552 QTQFXYAZDDTDLQ-UHFFFAOYSA-N 406.486 4.027 0 1 HIAF CCN(Cc1ccn[nH]1)C(=O)c1cc2cccnn2c1-c1cccc(C(F)(F)F)c1 95557456 GPLAJTAVCOWXPL-UHFFFAOYSA-N 413.403 4.406 0 1 HIAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)Nc1nccs1 25430194 OHKDPOZTMZRPON-HUUCEWRRSA-N 402.520 4.061 0 1 HIAF biogenic CC(C)CN(Cc1ccc(N[C@@H]2CCCOC2)cc1)S(=O)(=O)Cc1ccccc1 147292766 NLEGBEWTCQCGON-HSZRJFAPSA-N 416.587 4.266 0 1 HIAF Cc1nn(Cc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2F)c(C)c1CC(=O)O 144858211 SYOGONCIVFFLHO-UHFFFAOYSA-N 420.444 4.048 0 1 HIAF CC(C)(C)[C@H](N)C(=O)N[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253977292 DKQUQODYLFKBLG-MJPSLFSXSA-N 402.623 4.168 0 3 HIAF CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@@H](Nc1ccc(C(F)(F)F)cn1)C2 473170738 NGYNPBUGQHTGCA-JYJNAYRXSA-N 420.435 4.060 0 1 HIAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2cccnc12 653841681 WSKHGCYGBCHSOE-UIIQVKDUSA-N 415.537 4.493 0 1 HIAF Cc1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2n1 587090960 DFYBKZNRKBKACN-UHFFFAOYSA-N 414.428 4.071 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)OC(C)(C)C)C2)N1 587767737 KJRVKEDQLUGLGV-CWTRNNRKSA-N 413.331 4.349 0 1 HIAF CN1C(=O)CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587599105 ZQUCZTYNQVNZDE-QPPBQGQZSA-N 401.418 4.004 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)s2)N1 587850587 ZYUINXVFFXMOJY-ZMZPIMSZSA-N 411.340 4.110 0 1 HIAF CN(C)CCCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571793 MEEJIEDUFPPDPV-DHLKQENFSA-N 419.477 4.426 0 1 HIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587805660 HALSVGRNTYXOIN-YBTHPKLGSA-N 424.310 4.412 0 1 HIAF CC(C)(C)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2n1 587187416 HGESRGDBNNGSPE-UHFFFAOYSA-N 417.254 4.175 0 1 HIAF COC(=O)[C@H](C)[C@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811427 WWOMFJRWPOFCST-RXSFTSLZSA-N 420.322 4.370 0 1 HIAF COc1cccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587586710 CYBYPXXIGXXODR-HYBUGGRVSA-N 414.417 4.494 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)N3CCc4cccc2c43)N1 587790878 JMCWUQCJYABMCG-XUSGNXJCSA-N 415.306 4.049 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(N)sc32)N1 587854502 CCYVPITWZIWTCU-LZVRBXCZSA-N 410.356 4.377 0 1 HIAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2sc(=O)oc12 587857702 UGGMTOTWKIHEES-ZKANADHPSA-N 424.291 4.388 0 1 HIAF CCn1cc([C@]2(C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587555937 MSACZTDDUGWIIX-UWJYYQICSA-N 400.381 4.039 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCc4ccc(OC)c(Br)c41)[C@@H](C2)C3=O 587418194 SOKAUJRRLKDHBF-RBZFPXEDSA-N 401.256 4.055 0 1 HIAF C[C@H]1Cc2nc3nc(O)nc(O)c3cc2[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C 587560676 IITDPAWILBXXAW-CANCBLPVSA-N 423.557 4.315 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCN(C)C)c2)N1 587743126 VMLKGSQWAVNNEU-ZUOKHONESA-N 407.327 4.152 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793457 FIAYEJRQQORDTF-RBZFPXEDSA-N 406.295 4.319 0 1 HIAF O=C(O)c1cccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587586556 CQXMSXYKOYIUCR-UGKGYDQZSA-N 401.374 4.275 0 1 HIAF COC(=O)[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587698839 JVNBGVUACPXUNX-XTZNXHDOSA-N 412.686 4.192 0 1 HIAF CCCCN1C(=O)[C@H](C(C)=O)[C@]2(c3ccccc31)c1c(F)cccc1C[C@H]1CCCN12 963115473 VJNFNAGOQSTLMY-FRPAHBMMSA-N 420.528 4.442 0 1 HIAF C[C@]1(c2ccc(F)cc2F)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182876 NTPCKNHDYITCGI-SUMWQHHRSA-N 405.750 4.499 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCOc2c(Br)cc(C)cc21 963609762 OHFWBQDUDZMSJN-ZSEKCTLFSA-N 418.331 4.335 0 1 HIAF Cn1ccc([C@@]2(c3ccc(F)cc3)NC3(CC3)Cc3ccc(Br)cc32)n1 961614293 KPGNLMPUEKFBHB-NRFANRHFSA-N 412.306 4.292 0 1 HIAF NCC[C@H]1CNC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)c(-c3ccccc3)n21 207213152 WTGCKCDNZFLRCX-INIZCTEOSA-N 415.415 4.354 0 1 HIAF O=C(O)[C@H]1C[C@@H]1COc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cn2)cn1 1857584177 JKCCOSPNBZCSBI-ZBFHGGJFSA-N 420.856 4.440 0 1 HIAF CCOC(=O)c1cc2cc(N3CCN(C(=S)Nc4ccccc4)CC3)ccc2o1 299826098 XJDBQBUNNKLDLH-UHFFFAOYSA-N 409.511 4.129 0 1 HIAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 770735 VWBKPQDPJVWQRS-FYYLOGMGSA-N 422.456 4.268 0 1 HIAF O=C1c2ccccc2N(CCCc2ccccc2)S(=O)(=O)N1Cc1ccccc1 6579327 HOFRPGULQNRBTJ-UHFFFAOYSA-N 406.507 4.027 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2cc(F)cc(F)c2)OCCO3)cc1 13530518 ZDSMJONZCQGFQM-UHFFFAOYSA-N 416.445 4.397 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)oc(=O)c2-c2cccnc2)cc1 13581330 UARYGEVXUVTIKB-UHFFFAOYSA-N 403.459 4.439 0 1 HIAF CC(C)c1nc2c(Nc3ccc(C(F)(F)F)cc3)nc(N3CCC(O)CC3)nc2[nH]1 26727373 QTUCOLTUVVJUAE-UHFFFAOYSA-N 420.439 4.200 0 1 HIAF NS(=O)(=O)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)s1 28604099 BIKJVTXNEUTMOY-UHFFFAOYSA-N 418.540 4.426 0 1 HIAF Nc1nc(N)c2c(OCC3CCN(Cc4cccc5ccccc45)CC3)cccc2n1 28971691 JJSKDCZBZWCANM-UHFFFAOYSA-N 413.525 4.238 0 1 HIAF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(O)c1 36189327 NOUYCYGNOBPMES-MUNABGDISA-N 408.542 4.244 0 1 HIAF CC(C)=CCC1(CC=C(C)C)C(=O)[C@@H](C(=O)C(C)C)C(=O)[C@](O)(CC=C(C)C)C1=O 40429773 SLIXMIXEBCIOLT-KBMIEXCESA-N 416.558 4.335 0 1 HIAF biogenic Cc1ccc(NC(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@H]3[C@]2(C)CO)cc1 43554390 DFPGMORDBHSFDI-FXSVLNLJSA-N 401.503 4.053 0 1 HIAF biogenic Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(=O)Nc1ccc(N)nc1 45496927 HPDLKXDNZNNSKS-UHFFFAOYSA-N 414.387 4.496 0 1 HIAF Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1 49073159 QWZQPWUWGYGVOC-UHFFFAOYSA-N 409.877 4.132 0 1 HIAF in-vivo COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N3CCCC3)n2)cc1 82066056 OOCPSWLLJXSEBE-UHFFFAOYSA-N 413.428 4.163 0 1 HIAF COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Cl)cc2)CC1 96270633 XNEFEJLBHUTYJL-UHFFFAOYSA-N 415.965 4.071 0 1 HIAF CCCOC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 96286033 KDYJIWZXMZGJQG-QGZVFWFLSA-N 407.513 4.327 0 1 HIAF CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@H]21 101922339 QIJAKJCZCKPPNN-CWQOZTLDSA-N 417.962 4.011 0 1 HIAF CN1CC(C(=O)N[C@@H](CCc2ccc(Cl)c(Cl)c2)c2ccccc2)=C(O)C1=O 141953019 VPYLKFQPBRAZQH-SFHVURJKSA-N 419.308 4.068 0 1 HIAF COC[C@H]1CCCN1C(=O)[C@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169722902 BISDATDRFVQCJJ-MDASCCDHSA-N 421.328 4.139 0 1 HIAF CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@H]12 198042056 LAAZEJPVRHNOIV-SNHGZMDHSA-N 417.962 4.155 0 1 HIAF COc1ccccc1C(=O)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 207452973 CHKQKQJEHJOHAI-UHFFFAOYSA-N 400.456 4.097 0 1 HIAF CC1=C[C@H]2C[C@H](C)C(=O)[C@H](C)[C@H]2[C@H](/C=C(\C)[C@@H]2O[C@@]2(C)/C=C/C(=O)O)/C1=C\[C@@H](C)O 255235913 MPFICLAVEJRDLI-BDFRTGRJSA-N 414.542 4.092 0 1 HIAF COc1cc(Br)c([C@@H](N)c2nc3ccc(SC)cc3[nH]2)cc1OC 586974468 DDFVXQKZESIJFT-MRXNPFEDSA-N 408.321 4.113 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3cc(Br)cc(C)c3[nH]2)C(F)(F)F)n1 587094708 UAEQTDVAFVQRDK-AWEZNQCLSA-N 420.254 4.391 0 1 HIAF COc1ccc(CNC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587104000 LUOYOTYCJDVFHF-UHFFFAOYSA-N 408.457 4.314 0 1 HIAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1 587154424 NHIVUGTXBWQRDU-UHFFFAOYSA-N 403.385 4.448 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(CN=O)cc3)nc2c1 587190819 SAFRXVZESFACMM-UHFFFAOYSA-N 422.466 4.306 0 1 HIAF Nc1cc(C(=O)O)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587249272 KMMSULNQOOMJPB-UHFFFAOYSA-N 416.153 4.171 0 1 HIAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331361 BAASRZBNAZBCEI-AWKKRCEGSA-N 421.468 4.402 0 1 HIAF COC(=O)C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339567 YYIBBSHQVUTARX-UPVQGACJSA-N 424.399 4.488 0 1 HIAF CCc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587344055 BOBCZNWOEVSWQQ-ZJSXRUAMSA-N 403.409 4.300 0 1 HIAF COC(=O)CC[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587372801 RITZVQIRVOZGDU-FQEVSTJZSA-N 418.287 4.154 0 1 HIAF CCOCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587378629 WJIDJVVDYGMMFY-LJQANCHMSA-N 420.303 4.462 0 1 HIAF COc1c2c(c(OC)c3occc13)OC(C)=C[C@]21CC(=O)c2cc(C)cc(N)c2O1 587407939 FWINLLHITSKOSN-QHCPKHFHSA-N 407.422 4.498 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCN4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587442236 HXOJULILNGKBGM-HTAPYJJXSA-N 407.466 4.482 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCCCO)([C@H](C)NC(=O)OC(C)(C)C)CC2=O 587470409 MNQACCQCUIYRBT-WNSKOXEYSA-N 421.534 4.125 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 587474821 KDAPHCCXJOUQKE-LTQWCFAGSA-N 401.503 4.326 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557043 LGVWJIOIHOFBSJ-GBXCKJPGSA-N 422.408 4.260 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726010 HIEPVAPSANIEEG-WLRWDXFRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)C(Br)=C2F)N1 587739256 UXYVSQKCWHADMU-ANRSDYALSA-N 420.095 4.310 0 1 HIAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C)C 587741830 PGPDBZSXFVMDDO-MPBGBICISA-N 407.327 4.282 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)OCc2ccccc2)N1 587752249 DMWMHVNSGBFTMX-SGTLLEGYSA-N 407.283 4.090 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587828664 OSJCAKLYYXBLGA-AYLIAGHASA-N 408.267 4.302 0 1 HIAF O=C(O)c1nc[nH]c1[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962705234 KPXBWYGCXGANDG-JOCHJYFZSA-N 405.479 4.113 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H]([C@H]2CCN(Cc3ccccc3)C2)N1 962717986 YCDQONAFKQBXHC-PNHOKKKMSA-N 422.422 4.007 0 1 HIAF Cc1cccnc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963419218 SUPVEUUKPCEYCG-NZQKXSOJSA-N 411.461 4.112 0 1 HIAF CC1=C(Cl)CC[C@@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)C(C)C)c1O 1772630653 JSSICZBNLHQOAH-LBPRGKRZSA-N 407.319 4.024 0 1 HIAF Nc1n[nH]c(N2CCC(N(CCc3ccc(Cl)cc3)CC3CCCCC3)CC2)n1 1772637123 XUFFJSHQBWPHFZ-UHFFFAOYSA-N 417.001 4.134 0 1 HIAF CC(C)Cc1ccc2nn(C)cc2c1NS(=O)(=O)c1ccc(Br)cc1 1857769076 JELGCFDSBMQKLU-UHFFFAOYSA-N 422.348 4.335 0 1 HIAF O[C@](Cn1cncn1)(Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1F 1857771494 JEMFUKCYMBGBKG-HSZRJFAPSA-N 404.420 4.252 0 1 HIAF COc1cccc(N2CCN(CCCOc3cc(C)cc4oc(=O)cc(C)c34)CC2)c1 1857772517 PYELULZIYOSYPX-UHFFFAOYSA-N 422.525 4.010 0 1 HIAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)c4ccccn4)nc3[C@H](C)[C@@H]21 2356320805 OBYSSIJIWOXWOJ-LELJSQFUSA-N 411.527 4.044 0 1 HIAF COc1ccc(CNC(=O)c2ccc(C[S@@](=O)Cc3cccc(Cl)c3)o2)cc1 6895882 OHSVRDUYOWPXSA-MUUNZHRXSA-N 417.914 4.321 0 3 HIAF COCCN1CC[C@@H](CNCc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 13594582 BPOGDFBKCQFMJQ-QFIPXVFZSA-N 418.585 4.214 0 3 HIAF CC[C@@H](C(=O)Nc1c(C)cccc1C)N1/C(=C2\C=CC(=O)N=C2)Nc2ccccc21 199235276 ANFJXZUNVHHHOY-SNAUHIFDSA-N 400.482 4.331 0 3 HIAF O=C(CCc1c[nH]c2ccccc12)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 13601752 ZPBORDAMPZTCSL-RUZDIDTESA-N 422.488 4.033 0 1 HIAF O=C(O)C[C@](O)(CSCCCC/C=C/c1ccc(Cl)cc1Cl)C(=O)O 13758183 QIPBDFRVBPUFTR-RCFWFJCLSA-N 407.315 4.201 0 1 HIAF CCCc1cc(SC)cc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28257616 FKAIWKYTEFZEJR-UHFFFAOYSA-N 417.538 4.418 0 1 HIAF CCOCC(C)(C)[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCC/C=C/C(=O)OC)OC(C)=O 34778501 GWUWGSMTZCDNHN-VYBMPJMYSA-N 422.562 4.422 0 1 HIAF O=C(Nc1ccc(O)c(C(=O)O)c1)Nc1nc2ccc(OC(F)(F)F)cc2s1 40767368 ICOXNQLEBVJPNK-UHFFFAOYSA-N 413.333 4.243 0 1 HIAF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(-c2cccc(C(=O)NCCCO)c2)o1 84670398 RUGJASFMGVWDAX-CPNJWEJPSA-N 422.868 4.205 0 1 HIAF O=C1CC2(CCCC2)Oc2cc(OC[C@H](O)CNc3ccccc3Cl)ccc21 95586189 ACHOZJAPWJAQAX-OAHLLOKOSA-N 401.890 4.470 0 1 HIAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccc2)[C@H]1CO 95877676 XCJZUGBCQYNSGZ-RWUBSVTLSA-N 412.533 4.297 0 1 HIAF CCCCC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636946 JSZUEKBCZKVCCW-OYRHEFFESA-N 413.606 4.484 0 1 HIAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1OC 104083352 SDBSTYVLIKBDJG-OAHLLOKOSA-N 413.499 4.338 0 1 HIAF Cc1nnc([C@@H](NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)C(C)(C)C)o1 146397909 QYLLCSHAKQWRMO-OAHLLOKOSA-N 412.412 4.109 0 1 HIAF COc1ccc2c(c1Br)OCC=C2c1cc(OC)c(OC)c(OC)c1 200134751 XVBOLLLFUAFMHU-UHFFFAOYSA-N 407.260 4.308 0 1 HIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cnc3ccccc3c2[nH]1 586985350 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4.427 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 587664838 JVWLJFAEECOREM-UHFFFAOYSA-N 409.486 4.399 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Br)N1 587678459 CMPKBJHSHSOSKB-XLKFXECMSA-N 400.089 4.369 0 1 HIAF Cc1nn(C)c(C)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587705437 MPCMICFKGXIXSR-PWJLMRLQSA-N 420.248 4.279 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)([C@H](C)CC(=O)O)N1 587743364 DNRLSHKWSHHSQO-HTGLOVNISA-N 421.310 4.059 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cnc(N)nc2)N1 587748093 ULJAASUMRQAWJC-WLRWDXFRSA-N 413.294 4.251 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789683 DGGDWXCAJBVZCO-RBZFPXEDSA-N 406.295 4.238 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(O)cc2)N1 587792167 GZMYPRYQDANBDD-OVWNDWIMSA-N 402.267 4.308 0 1 HIAF CC(C)c1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587799134 WLLWJRUMVPUWIU-YBTHPKLGSA-N 403.295 4.442 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(N)=S)cc2)N1 587842139 DDKXWSIOQGIKOF-XTZNXHDOSA-N 408.340 4.041 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Br)n2)N1 587850741 FEXBTBMNGYMIJW-PWCHPLFNSA-N 406.118 4.431 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cccc(C)c1C 587867392 CRMYSZVLRVAUTQ-UHFFFAOYSA-N 405.376 4.309 0 1 HIAF COc1ccc(C[C@@H](OC(=N)O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653755718 XASTWLYYCDRFBL-GOSISDBHSA-N 414.458 4.085 0 1 HIAF Cc1ccc2nc([C@@]3(C)N[C@@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)[nH]c2c1 963199941 WOOKHSQKSCSNTC-KUHUBIRLSA-N 423.822 4.406 0 1 HIAF CC[C@H](C)C[C@](C)(O)C[C@H](CO)C[C@H](C)C=C(C)C=C(C[C@@H](C)C(=O)O)C(=O)O 2356440070 MBFFSCGMVQIKKY-LWXSJTDASA-N 412.567 4.267 0 1 HIAF O=C(C=Cc1ccccc1)O[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 2356679879 LCPXFIYCSRAKAD-DNQXCXABSA-N 402.402 4.039 0 1 HIAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C)[C@@]23O)c(O)c1 2356823192 GJPPYUYMBBOTKR-ILXKNYSKSA-N 400.515 4.388 0 1 HIAF CCc1nccn1CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 15072748 IBTPVUGAHSCFGH-HXUWFJFHSA-N 405.546 4.160 0 3 HIAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc(Cl)cc2)O3)c1 61907025 SEDUWJDYSPXFRE-FQEVSTJZSA-N 407.857 4.303 0 3 HIAF COc1ccc([C@H]2CC[C@@H](OCCCCn3c(C)nc4cnccc43)O2)cc1OC 11687515 OBNNIOHNWGWSBC-OFNKIYASSA-N 411.502 4.432 0 1 HIAF CO[C@@]1(c2cc(F)cc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCO[C@@H](C)C1 13589954 WXLDKPVBBUEYJC-FYSMJZIKSA-N 411.473 4.297 0 1 HIAF COCCN(CCOC)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C 13795087 DUOINMAEZBCFIG-UHFFFAOYSA-N 410.562 4.370 0 1 HIAF COc1c(Cl)cc(Cl)c(OC)c1C(=O)NC1CCN(Cc2ccccc2)CC1 13820625 WLRZQJSTYVWOMK-UHFFFAOYSA-N 423.340 4.405 0 1 HIAF O[C@H](CNCc1ccccc1OCc1ccccn1)c1cc(Br)cs1 14966905 OXXWZGNREZXHNZ-QGZVFWFLSA-N 419.344 4.308 0 1 HIAF O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccnn1-c1ccccc1 45364135 AGKKQCOTVRDMKO-UHFFFAOYSA-N 411.421 4.087 0 1 HIAF COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4ccccc4)o3)cn(C3CC3)c12 64235663 FQWZGLVJGKZELF-UHFFFAOYSA-N 410.380 4.417 0 1 HIAF CC(C)(C)C(=O)Oc1coc(CSc2nnc(-c3ccccc3)s2)cc1=O 103240521 CXOUFRDSOXXVOY-UHFFFAOYSA-N 402.497 4.402 0 1 HIAF O=S(=O)(c1ccccc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1 139609996 GMBPLHUXLWINQM-UHFFFAOYSA-N 416.506 4.120 0 1 HIAF CO[C@@H](C)CN(C)c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12 142922241 QNBBVZPCDPPSPO-AWEZNQCLSA-N 424.455 4.284 0 1 HIAF COc1cccc(CNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)c1 166084362 VFALMAFXJJNBPR-UHFFFAOYSA-N 401.466 4.173 0 1 HIAF CC(C)(C)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)O)C(=O)Nc1ccccc1 213407654 BZZVTPZKPMXERH-KNQAVFIVSA-N 424.541 4.270 0 1 HIAF COCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 299873949 AOUCHGVBSUVBDR-FRTACKCFSA-N 422.573 4.311 0 1 HIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)s1 299883382 RGEAXXYTQNLHHS-ZEQBYNDXSA-N 403.500 4.073 0 1 HIAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(Br)cnc(Br)c3[nH]1)C2 586888754 XYNJIMAFHYOBSA-XHNCKOQMSA-N 411.097 4.122 0 1 HIAF O=C(Nc1nc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cs1)c1cccc(O)c1 587018851 AISYBVQCGDLVOC-UHFFFAOYSA-N 420.281 4.270 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCO4)C[C@@H]2CCCC[C@H]21 587024486 ANXFPMUZSQSFMR-QGTPRVQTSA-N 409.511 4.428 0 1 HIAF CCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587400119 NRFYYVNCOZNCIU-QHCPKHFHSA-N 413.470 4.100 0 1 HIAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCCN1C(=O)OCc1ccccc1)[C@@H](C2)C3=O 587439883 XDECJEWBOGYFFY-SFYKDHMMSA-N 407.466 4.003 0 1 HIAF CCOC(=O)N1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)CC1 587512929 GQOOSPDRSWMLRM-OAQYLSRUSA-N 424.497 4.143 0 1 HIAF Nc1c(Br)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539807 KAQVAAXAKGNVLG-JXFKEZNVSA-N 412.239 4.440 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587719841 LUZDXYFMSQHEIQ-XADVXLBKSA-N 416.306 4.409 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3cccc(F)n3)CC2)N1 587737990 JCVLZZMUECFGCU-GFCCVEGCSA-N 408.290 4.152 0 1 HIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc(N2CCCCC2)n1 587764282 CYTWALGZMYMRNU-BLVKFPJESA-N 419.342 4.301 0 1 HIAF COc1ccccc1N1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587767220 JFIGCMMULOVLNJ-RBZFPXEDSA-N 405.311 4.237 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587792613 PPMXDTHTCBCWIA-MGNBDDOMSA-N 417.278 4.480 0 1 HIAF CN1CCC[C@H]1CCNC[C@H]1CCN(c2ncnc3scc(-c4ccccc4)c23)C1 653665970 IUHQQVBGHOMFGE-QUCCMNQESA-N 421.614 4.259 0 1 HIAF NC(=O)N1CCc2sccc2[C@H]1c1ccc(S(=O)(=O)CC2CCCCC2)cc1 962705781 GRTJAFDAWSUYSV-HXUWFJFHSA-N 418.584 4.128 0 1 HIAF O=C(NCc1ccco1)c1cc([C@@]2(C3CC3)c3ccc(F)cc3C[C@H]3CCCN32)c[nH]1 963104141 HGHMWYIPRGBYLQ-NLFFAJNJSA-N 419.500 4.351 0 1 HIAF Cc1cc2c(cc1O)[C@@](c1ccnc(Cl)c1)(C1CCCCC1)N[C@H](C(=O)O)C2 963552365 PULSGYFTSZDCAM-AVRDEDQJSA-N 400.906 4.172 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CC(C)(C)C(=O)O)c1cccc(F)c1 963603288 CDQYQCPBBBBQMG-FATZIPQQSA-N 401.478 4.122 0 1 HIAF C[C@]1(F)CC(F)(F)[C@@](C)(c2cc(NC(=O)c3nccs3)ccc2F)NC1=N 1772592640 PZMYIHWMYVSDEE-JKSUJKDBSA-N 400.401 4.084 0 1 HIAF O=C(c1nn(-c2ccccc2)c2c1C[C@H](NCc1ccccc1)CC2)N1CCCCC1 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CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1OCCCOc1ccccc1 27108256 CPOXGDKAMUYYMS-UHFFFAOYSA-N 406.530 4.205 0 1 HIAF CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1SC(=O)c1ccccc1 27408445 NPKUUMKZGFOQPU-OKZBNKHCSA-N 403.544 4.061 0 1 HIAF CN1CCC(N2C(=O)CN=C(c3ccccc3F)c3ccc(C(F)(F)F)cc32)CC1 27747482 HPNIRXRVISNVIU-UHFFFAOYSA-N 419.422 4.123 0 1 HIAF COc1ccccc1-c1cccc(S(=O)(=O)c2cc(C(=N)N)sc2SC)c1 29038772 QNXAEJSZENUITD-UHFFFAOYSA-N 418.565 4.262 0 1 HIAF CCOc1ccc(CN2CCC(C(=O)Nc3cc(Cl)c(N)cc3OC)CC2)cc1 29467531 QKEADJDOVRYBMR-UHFFFAOYSA-N 417.937 4.180 0 1 HIAF CN(C)CCn1cc(C(=O)O)c(=O)c2cc(Cc3ccc(Cl)cc3Cl)ccc21 40974115 PZOSZAYCEQQGNY-UHFFFAOYSA-N 419.308 4.159 0 1 HIAF CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3Br)N2C1=O 49088091 CPHUMYXSRBIEDQ-IEBWSBKVSA-N 424.298 4.229 0 1 HIAF Cc1nc(CCN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cs1 66139125 BFPGXRNXYFIYMH-UHFFFAOYSA-N 404.495 4.469 0 1 HIAF CC1CCN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccccc3)n2)CC1 82133366 OCFBRBVFFFIMGX-UHFFFAOYSA-N 418.516 4.492 0 1 HIAF Fc1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3C[C@@H]2CCCO2)cc1 82185344 MDBYBDJXUODYKW-IBGZPJMESA-N 403.461 4.424 0 1 HIAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 95873540 RDEQLRCOXKGDQP-CNNINCIQSA-N 423.532 4.315 0 1 HIAF Nc1nc(-c2ccc(F)cc2)cc(-c2ccc([C@H]3NC(=O)c4ccccc4N3)cc2)n1 96909914 CNODNCVQRSJUOM-JOCHJYFZSA-N 411.440 4.386 0 1 HIAF Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cccc(C)c5)C[C@@H]3N4)cc2)cc1 100101539 DKKQXQYVJZJZAD-LNWKWYTESA-N 418.562 4.099 0 1 HIAF COC(=O)c1ccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)cc1 101075143 JNEYEGXNXSJFGP-UHFFFAOYSA-N 407.491 4.066 0 1 HIAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-n3nnc4ccccc43)c12 225373754 QNYYNLYQKNPSRP-UHFFFAOYSA-N 411.425 4.125 0 1 HIAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cc1-c1ccc(C)cc1 261166923 SBNPXWVNOPGYLJ-NRFANRHFSA-N 404.466 4.320 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cnc3[nH]2)C[C@H]2CCCC[C@H]21 586957786 FCKSHBSCHSSWJY-XWIAVFTESA-N 416.934 4.306 0 1 HIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cs1 587014243 NJSPXFSBVOGDQX-UHFFFAOYSA-N 400.291 4.413 0 1 HIAF N=C(N)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587017548 NCXXXGJTGDUSJT-UHFFFAOYSA-N 418.345 4.385 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(CO)cc3[nH]2)c1 587051022 UECIMUZRRKESBV-HJWRWDBZSA-N 412.877 4.099 0 1 HIAF CC[C@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)n1cc(I)c(C)n1 587184619 JNACTVWFGRTNNE-CYBMUJFWSA-N 423.302 4.364 0 1 HIAF C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](n2cncn2)C1 587343633 UMSNSZABMLAZDI-CWGPSMMSSA-N 407.445 4.282 0 1 HIAF O=C(O)C1=COc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587360453 VMGWNESECLNLML-ZJSXRUAMSA-N 418.376 4.147 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)N1CCCC1)CC2=O 587475834 QHNPNGXZIIFSNM-QFIPXVFZSA-N 409.482 4.052 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(N3CCOCC3)c2)N1 587716074 ITQXLSQIIXOQCM-YUNKPMOVSA-N 423.301 4.188 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC(=O)N(C)C)N1 587739973 IZGWPJMYLNKXMF-ADLMAVQZSA-N 407.283 4.272 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cn3cccn3)c2)N1 587761775 VYQGDCTVZVPAII-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)OC(C)(C)C)CC2)N1 587770780 UMFYZUAMDZARHH-LBPRGKRZSA-N 413.331 4.349 0 1 HIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O 587806277 JLUMYDDDEMDSLH-APBUJDDRSA-N 410.283 4.109 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](C)C(=O)O)(c2ccccc2)N1 587827668 LUCQHFATOULJOW-VFGMZZLHSA-N 406.295 4.477 0 1 HIAF CC(C)C(=O)[C@@H]1C(=O)c2ccccc2[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961614275 KEJQOFWAZONQIV-XXBNENTESA-N 424.338 4.409 0 1 HIAF COc1cc2c(cc1OC)[C@@](c1cccc(C3OCCO3)c1)(C1CC1)N(C)[C@H](C)C2 962569092 MFQXPBNSLIVCLY-CPJLOUKISA-N 409.526 4.279 0 1 HIAF Cc1ccnc2c1CCN[C@@]21CCC(c2ccc(Br)cc2)=C1CC(=O)O 963072816 OEDWYJLSQFTMOD-OAQYLSRUSA-N 413.315 4.216 0 1 HIAF CC(C)(C)OC(=O)Nc1ccc(Cl)nc1[C@@H]1NCCc2c(C(=O)O)cccc21 963120256 FRVYQGJQXZCQJH-MRXNPFEDSA-N 403.866 4.015 0 1 HIAF CCC[C@H](O)[C@H](C)CCCCCCC[C@H](O)C[C@H](O)CCCCC[C@H](O)C(=O)O 2356340828 YXZHHELWIWHYJZ-TWGBQZSLSA-N 418.615 4.022 0 1 HIAF C[C@@H]1O[C@]2(C=Cc3cccc(O)c3CO2)[C@@H](C)O[C@@]12C=Cc1cccc(O)c1CO2 2356718801 GWADQOOKXMSEMY-RIQHXCIPSA-N 408.450 4.101 0 1 HIAF O=c1c(C=Cc2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@H]2CN(C2CCOCC2)C1 2356857724 SMAKDKAMVLPFEU-ICSRJNTNSA-N 410.945 4.270 0 1 HIAF CCOc1cccc2cc(-c3nnc(NCc4ccc5c(c4)OCO5)s3)c(=O)oc12 2956124 BEEPJTVTJWWKFC-UHFFFAOYSA-N 423.450 4.051 0 3 HIAF COc1ccc([C@H]2CN(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 61923641 GRWGHZJXOVNCII-DHIUTWEWSA-N 400.478 4.471 0 3 HIAF CCCCc1nnc(SC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 2004081 KYBBOYHLQBAARV-UHFFFAOYSA-N 405.531 4.238 0 1 HIAF CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(I)cc2)C1 3783032 SFEBAZSWFKLMDP-OAHLLOKOSA-N 413.686 4.270 0 1 HIAF CO[C@@H](c1ccc2c(c1)CN(C(=O)CCc1cnccn1)CCO2)C1CCCCC1 12190240 RHXIGJDBQCZXGJ-XMMPIXPASA-N 409.530 4.098 0 1 HIAF COCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OCCOC 13803321 XTELADPHRDQWCD-UHFFFAOYSA-N 421.856 4.216 0 1 HIAF CN1CCN(Cc2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1 40422517 UTWJMSRNZUWNLW-UHFFFAOYSA-N 407.518 4.011 0 1 HIAF CC(C)(C)OC(=O)NCc1noc(-c2c3ccccc3nn2Cc2ccccc2)n1 40891767 ZPEBGOBEKQMIJB-UHFFFAOYSA-N 405.458 4.159 0 1 HIAF COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 59075582 JGUXTBZXZYREIK-HSZRJFAPSA-N 421.522 4.007 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)c1C 71333985 KKAKZTLYKANGNB-NUJGCVRESA-N 412.490 4.057 0 1 HIAF O=C(Cc1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 95877647 IDTCIEOXFGFTMA-NZJKTDFXSA-N 416.496 4.411 0 1 HIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1csc(-c2ccc(Cl)cc2)n1 103282754 YMWRFBLVGVAEEC-UHFFFAOYSA-N 418.902 4.044 0 1 HIAF O=C(Nc1nc2ccc(F)cc2s1)N1CC=C(c2ncc(CO)cc2Cl)CC1 141061416 JIORLOJNIBZJIA-UHFFFAOYSA-N 418.881 4.297 0 1 HIAF COc1ccccc1N(C(=O)[C@H](C)OC)[C@H]1CCN(CCc2cccs2)C[C@H]1C 142969577 MMLFNTYVDTXUQB-HBFSDRIKSA-N 416.587 4.078 0 1 HIAF CCCCn1c(O)c2n(c1=O)[C@@H](c1ccccc1OC)c1[nH]c3ccccc3c1C2 169717793 YUMAARHWRHLSLB-QFIPXVFZSA-N 403.482 4.187 0 1 HIAF CCCCN1CCN([C@H](CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1 198331912 FMQYLMODRVYWBF-AREMUKBSSA-N 412.666 4.096 0 1 HIAF Nc1cnc(-c2ccc(-c3ccccc3CSc3cc(N)ncn3)cc2F)cn1 224770808 NWLDSYHDZITBQO-UHFFFAOYSA-N 404.474 4.196 0 1 HIAF C[C@@H]([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)[C@H]1C[C@@H]1C(=O)O 299848603 SPBCVLSZAPVLJN-SUONUJEGSA-N 404.591 4.334 0 1 HIAF COc1cc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc2cn1 586946642 BNGVTJZMNSOGTN-UHFFFAOYSA-N 408.483 4.051 0 1 HIAF Oc1cc(O)nc(SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)n1 586967276 STVRJDBPKXDVII-UHFFFAOYSA-N 407.480 4.333 0 1 HIAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)s1 587014901 TUEQSDIEKJMQMZ-SECBINFHSA-N 419.450 4.386 0 1 HIAF O=S(=O)(O)c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587067777 OSDXZRCTYRWSNR-UHFFFAOYSA-N 414.870 4.289 0 1 HIAF COc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c1 587140182 HZDZYKCLWOOMPH-UHFFFAOYSA-N 415.421 4.318 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(c3ccccn3)CC2)[C@@H]1c1ccc(F)cc1 587349358 YPASRCFVTYQSHW-JOCHJYFZSA-N 404.441 4.324 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(Br)s1)[C@@H](C2)C3=O 587450337 JMCNLQZCTBITRX-NONIITOYSA-N 420.328 4.237 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(n1)OCCN3C(=O)C(C)(C)C)CC2=O 587473622 AEBUWWVNBUSQJR-HXUWFJFHSA-N 424.497 4.218 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1-n1cccn1 587570419 KOKQEMFONVHMBS-REWPJTCUSA-N 402.381 4.420 0 1 HIAF CCOC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587597715 RRBNIHPZUPNWGS-GBXCKJPGSA-N 404.418 4.446 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cnccn2)s1 587614141 RHPYITDXKSQECO-YLJYHZDGSA-N 403.419 4.009 0 1 HIAF Cc1nc2ccccc2n1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662308 ZDUGKRRSETXZNT-UHFFFAOYSA-N 412.424 4.201 0 1 HIAF CCn1cc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587681706 KKWLPYUJTDPMME-ANRSDYALSA-N 417.120 4.191 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(Cl)c3)n2)N1 587697493 GSHJGMAFZRWRAP-MLCYQJTMSA-N 421.701 4.446 0 1 HIAF CCOC(=O)CC[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587771321 BVRWFQPGHUBILS-ZUOKHONESA-N 421.310 4.104 0 1 HIAF COc1ccc2c(c1OC)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587810612 TWFWPHOPIHTTRG-YBTHPKLGSA-N 406.295 4.329 0 1 HIAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587837225 DSWMRYKUXAXSAD-BIBXISHDSA-N 418.262 4.035 0 1 HIAF CC(C)(C)c1cc(NC(=O)n2ccc3ccc(Oc4ncnc5c4CNC5)cc32)no1 653835892 XZKTVCDNZNSWBG-UHFFFAOYSA-N 418.457 4.193 0 1 HIAF CC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c(-c3ccccc3)c(C)sc21 958054873 VHOCYLCZUTZNSZ-UHFFFAOYSA-N 424.909 4.432 0 1 HIAF Cc1nc(-c2ccncc2)sc1[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972428 IPDYSPIWHXTYSU-BBRMVZONSA-N 421.856 4.133 0 1 HIAF COC(=O)c1cc2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c2cc1Cl 1857565253 RXAQKYNTONZOAA-UHFFFAOYSA-N 410.282 4.387 0 1 HIAF Cc1ccc2nc(C[C@@H]3CN(C4CCC(F)(F)CC4)CC[C@@H]3CC(=O)O)[nH]c2c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c1ccc(CNCCCNCCCCCCNCCCNCc2ccccc2)cc1 3781530 CBHCQXBPLGQLKH-UHFFFAOYSA-N 410.650 4.086 0 1 HIAF O=C1C[C@H](c2ccccc2)c2cccc3c2N1Cc1c(-c2noc(C4CC4)n2)ncn1-3 13760370 JPQHYVFTCPAEGO-QGZVFWFLSA-N 409.449 4.182 0 1 HIAF O=C(O[C@H]1CCCN(Cc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 27522230 DYTJZBGUAADDIX-DEOSSOPVSA-N 401.506 4.130 0 1 HIAF NC(=O)c1cnc(NC[C@H]2CCCCN2)c2cc(-c3ccc(Cl)cc3)sc12 64560328 HNDIPDMUONQEIX-CQSZACIVSA-N 400.935 4.270 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccccc1 82133607 KVZZJIATVQOFDI-KRWDZBQOSA-N 404.514 4.335 0 1 HIAF Cc1ccccc1CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O 96173057 COSQMAQWPCHUOS-UHFFFAOYSA-N 400.526 4.347 0 1 HIAF CCC(=O)[C@@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@H]1N2C 100911917 RDOXVARXZHCHTF-GADXADSLSA-N 417.718 4.490 0 1 HIAF CCC[C@@H](O)C1=CC(=C(Br)Br)N(c2ccccc2)C1=O 114389018 KBMALTYDDVUIAD-CYBMUJFWSA-N 401.098 4.080 0 1 HIAF Cc1nn(Cc2ccc(NC(=O)CCc3ccccc3)cc2)c(C)c1CCC(=O)O 168931482 KUPNMUXITRRHKW-UHFFFAOYSA-N 405.498 4.137 0 1 HIAF CCOC(=O)[C@@H]1C(CC)=NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729862 LPNXHPGMPNQJLI-NHCUHLMSSA-N 410.470 4.069 0 1 HIAF O[C@H](COc1cccc(-c2ccc3ncoc3c2)c1)CN1CCc2ccccc2C1 219738301 DSMCWHFMQZMIHL-QFIPXVFZSA-N 400.478 4.293 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 299877695 HSPZVPFUXRJCRH-CTSOBWNQSA-N 406.935 4.017 0 1 HIAF Cc1nc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1Br 587023058 ITKYVXHNEABISB-UHFFFAOYSA-N 410.297 4.499 0 1 HIAF CC(C)COc1cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br 587094311 PFUMMFBLSKAEMQ-VIFPVBQESA-N 422.245 4.490 0 1 HIAF COc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)nn1-c1ccccc1F 587156504 PCZNEEQACRXMFS-UHFFFAOYSA-N 405.202 4.465 0 1 HIAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2ccnn12 587343725 DFEIVRSKXFZAJC-FYYLOGMGSA-N 403.413 4.157 0 1 HIAF CC[C@H](C(=O)O)n1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587430266 GFFTYLTUVWGMSU-BUKPSGGLSA-N 405.450 4.348 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1[C@@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)CC2=O 587489309 TZLNDIVQJMZOKN-ZZIKAVHVSA-N 401.503 4.324 0 1 HIAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2oc(N)nc2c1 587579069 YCYWRXVYTARGPN-MBSDFSHPSA-N 402.406 4.301 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccncn1)c1ccccc1 587584901 BOZORYBIQPEKKF-DHLKQENFSA-N 410.429 4.282 0 1 HIAF CC1(C)CC(=O)C(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)C1 587603299 LRSACPKTZMNRSB-RDPSFJRHSA-N 408.450 4.077 0 1 HIAF CCOc1ccccc1OCc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)o1 587651848 FXNYRUMARJGZIR-UHFFFAOYSA-N 424.840 4.309 0 1 HIAF CC(C)(C)OC(=O)N1CC(n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1 587656290 IWCVPJBNWFSGKW-UHFFFAOYSA-N 413.424 4.134 0 1 HIAF Cc1nn([C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1Cl 587657771 ZNRPVSYQBLJFJV-CYBMUJFWSA-N 410.836 4.262 0 1 HIAF CC1=C(OC(=O)C(C)C)[C@]2(C=CO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587836152 ZDCGPZQWPOBKOO-JEOXALJRSA-N 410.283 4.292 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2c1 587968572 FHIUCSXHNMKTBG-BWYHKVOESA-N 417.303 4.149 0 1 HIAF COc1ccc2nc(N3CCC[C@H](C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)C3)sc2c1 618005102 XSHLMYLYOHEJJI-NBOOPKSLSA-N 401.576 4.462 0 1 HIAF CSc1nn2c(Nc3cc(Cl)cc(Cl)c3)c3c(nc2c1C)CCNC3=O 653793641 GVNLCAQIBIIPIB-UHFFFAOYSA-N 408.314 4.096 0 1 HIAF COc1cc2c(cc1OC)[C@](c1cccc(C3OCCO3)c1)(C1CC1)N(C)[C@H](C)C2 962569097 MFQXPBNSLIVCLY-PUAOIOHZSA-N 409.526 4.279 0 1 HIAF C[C@@]12CC[C@]3(C=C1CCCC2=O)c1ccccc1C[C@@]1(C2CCC2)C(=O)NC(=O)N31 962662602 IRJYSRLAOKGYCZ-DSNGMDLFSA-N 404.510 4.008 0 1 HIAF CC(C)c1nn(C)c2c1[C@@](c1ccccc1)(c1ccc(C3OCCO3)s1)NCC2 962914321 FGFPSPSNXSVUAN-HSZRJFAPSA-N 409.555 4.088 0 1 HIAF O=C(O)[C@H]1CC[C@H]([C@]2(c3cccc(Cl)c3)NCCc3nc4ccccn4c32)CC1 962979923 BAYBERVAYAVMJL-CKNGIIGNSA-N 409.917 4.268 0 1 HIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](Cc2ccccc2)(c2ccc(O)cc2)N1 963236372 WSAVEROYXFULPE-AOYPEHQESA-N 410.473 4.026 0 1 HIAF COc1ccc2c(c1)[C@H](c1ccccc1OCCO)N(Cc1ccc(F)cc1)CC2 963305255 WHDORKLOCWWSKS-VWLOTQADSA-N 407.485 4.353 0 1 HIAF Cc1nc2c(N3CCOCC3)ncnc2n1Cc1ccc(-c2cccc(Cl)c2)cc1 1772584747 LMMBHTKNBQWIEL-UHFFFAOYSA-N 419.916 4.340 0 1 HIAF COc1cc(-c2c([C@@H]3O[C@H](OC)[C@H](C)[C@@H]3C)cc(OC)c(OC)c2OC)ccc1O 2356447889 IHPLSJOJWOIKLE-SVRXYTQBSA-N 418.486 4.410 0 1 HIAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CO)CNC)CC1 2356776193 RFXLKVTYRRYTBK-ISBRNDMJSA-N 411.627 4.379 0 1 HIAF Cc1ccnc(NC(=S)N2C[C@H]3CN(c4cccc(C(F)(F)F)c4)C[C@@H]3C2)c1 95570138 KRIXABFYBRTIIS-HUUCEWRRSA-N 406.477 4.174 0 3 HIAF CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCOC)cc1 2482041 YLBKXZOXPIYCON-UHFFFAOYSA-N 400.862 4.437 0 1 HIAF O=C(CCc1csc(-c2ccc(O)cc2Cl)n1)Nc1ccccc1C(=O)O 40421102 ZCZNZCUMJUQXPA-UHFFFAOYSA-N 402.859 4.439 0 1 HIAF CC(C)Oc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)CO2 40861950 GSVBHFQONNWYDN-MRXNPFEDSA-N 401.470 4.108 0 1 HIAF O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccc(F)cc2Cl)C(=O)C1 59282934 BPFDBNIFDQBRTL-UHFFFAOYSA-N 401.652 4.275 0 1 HIAF Clc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(-n4ccnn4)cc3)CC2)nc1 71342089 XCMQGEUINVIVHT-DYESRHJHSA-N 424.936 4.032 0 1 HIAF CC(C)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CCc1ccccn1 82179684 FKIKGHQZXCJCNS-UHFFFAOYSA-N 404.493 4.381 0 1 HIAF C[C@H](c1nc(-c2ccc(S(C)(=O)=O)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1 84406525 JHAOVOZLDIGFEL-QFYYESIMSA-N 413.902 4.022 0 1 HIAF S=C1N[C@@H]2/C(=C/c3ccc(Cl)cc3)CNC[C@H]2[C@@H](c2ccc(Cl)cc2)N1 103231024 PZPVJFQTDWDACU-VZEHETRGSA-N 404.366 4.184 0 1 HIAF O=C(O)c1ccc(-c2cccc3ncccc23)cc1NS(=O)(=O)c1ccccc1 103239713 HTDYGQFCPGZYTB-UHFFFAOYSA-N 404.447 4.401 0 1 HIAF COC1CCC2(CC1)Cc1ccc(-c3cc(C)cc(C)c3)cc1[C@]21N=C(N)N(C)O1 140492740 FYALOILYRKEBCX-ZZVXHFGESA-N 405.542 4.446 0 1 HIAF CN(C)[C@@H]1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)C1 141408965 FOVSLONNMLNECB-HSZRJFAPSA-N 415.537 4.447 0 1 HIAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccc(Cl)nc1 164751340 OCVJYMJRDYQPOK-UHFFFAOYSA-N 415.844 4.316 0 1 HIAF Cc1c(Cl)ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586945698 LJBUVPLYQDOVQJ-UHFFFAOYSA-N 407.904 4.325 0 1 HIAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586949994 LFFUJOXIPGETRF-UHFFFAOYSA-N 403.813 4.197 0 1 HIAF COc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1C 586959712 LPJVCOGQSDXGFN-XMMPIXPASA-N 407.333 4.383 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587097322 IUZYCCCSOCWDLM-UHFFFAOYSA-N 415.412 4.466 0 1 HIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Cl)c(Br)cnc2[nH]1 587116036 KZSGWYGDMZWWTH-UHFFFAOYSA-N 415.000 4.447 0 1 HIAF Cc1ccc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2n1 587217252 BSKVHTSUCOPCHM-GOSISDBHSA-N 424.501 4.356 0 1 HIAF Nc1cccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1C(=O)O 587248263 KMYOXPWNSJPTOJ-UHFFFAOYSA-N 416.153 4.171 0 1 HIAF Nc1ncccc1Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587253433 IFDZEXVORMYSKD-UHFFFAOYSA-N 411.387 4.402 0 1 HIAF COC(=O)c1cncc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587436490 PWLVAAVKCSLYKM-AUSIDOKSSA-N 401.418 4.033 0 1 HIAF COc1cc2c3c(c1)O[C@]1(c4cccc(C)c4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587454722 WFXDEYRUVNPIKA-UPCLLVRISA-N 402.402 4.212 0 1 HIAF C[C@]1(c2cccc3sc(N)nc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620060 WQTYEOCGHHWDIP-VGOFRKELSA-N 404.447 4.461 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2N2CCOCC2)N1 587722546 SLIQXKRCKXOCQC-ODXCJYRJSA-N 423.301 4.188 0 1 HIAF CCOC(=O)c1cnc(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)nc1C 587865790 IYIVMHIPVRRVGL-UHFFFAOYSA-N 420.391 4.232 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@]2(CCc3c(F)cccc3C2)N1 962918372 IMRVMJILWYNWEE-ZCYQVOJMSA-N 419.452 4.307 0 1 HIAF CO[C@H]1CCC[C@]2(C1)c1c(C)cccc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963904083 OIQWRIDTGSQCHN-STSQHVNTSA-N 403.519 4.416 0 1 HIAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CCCC=C2Cl)c1O 1772654158 YZTWGOOOKQEBBO-GFCCVEGCSA-N 407.319 4.024 0 1 HIAF COCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(OC)cc3)o2)C[C@@H]1C(C)C 2356300972 PFDKTQSCFBVAPI-JAXLGGSGSA-N 413.562 4.378 0 1 HIAF C[C@H](CCCCCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 2356345374 PHSQDXKUQRUWOG-OUUKCGNVSA-N 400.556 4.180 0 1 HIAF O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1cccc(O)c1 924481 QSIGNMPLUVMRIS-UHFFFAOYSA-N 409.515 4.282 0 3 HIAF C/C=C1\CO[C@@](C(=O)NCCN2CCCC2)(C(F)(F)F)C=C1C=C1CCCCC1 13828955 SFBIOLLOMCGUCC-AAMSICHXSA-N 412.496 4.293 0 3 HIAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCc1ccccc1N 4080017 VCJIGDPGIKGVCH-ISKFKSNPSA-N 415.493 4.076 0 1 HIAF O=C(OCCc1ccccc1)[C@@H]1CCCN1C(=S)NC12CC3CC(CC(C3)C1)C2 13441754 FEAARQGFEATDIE-PQCJFMQRSA-N 412.599 4.080 0 1 HIAF C[n+]1ccn(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1Cc1ccccc1 13651164 AYEFZTWOROCIRV-VWLOTQADSA-N 423.536 4.205 0 1 HIAF Cc1cccc(O)c1C(=O)Oc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 14811805 PFDFQVZVAQCSHC-UHFFFAOYSA-N 404.374 4.104 0 1 HIAF biogenic CC1(C)Cc2cccc3c2N1C(=O)[C@@H](N1CCN(Cc2ccc(Cl)cc2)CC1)CC3 22927132 INLLPBCEAMPLDT-QFIPXVFZSA-N 423.988 4.140 0 1 HIAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1O[C@H]1CCOC1 26379747 CCNKVJUYQNQLPA-NSHDSACASA-N 406.269 4.099 0 1 HIAF NS(=O)(=O)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)cc1 35259931 HJWOQYUOVBMTHU-UHFFFAOYSA-N 412.511 4.365 0 1 HIAF CC(C)[C@@H](CO)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82070050 YBUQYZDELAWWNT-GFCCVEGCSA-N 410.314 4.126 0 1 HIAF CCCC[C@@H](CC)CNc1nc(N2CCOCC2)nc2cc(OC)c(OC)cc12 82128475 FACFSFYVJBBJDD-MRXNPFEDSA-N 402.539 4.112 0 1 HIAF CC(C)c1ccccc1OCCN1CC[C@H](NC(=O)c2ccc3ccccc3n2)C1 95578379 IJEBNHPCKYYWBR-FQEVSTJZSA-N 403.526 4.241 0 1 HIAF O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 95604641 NPXWAHHKOIONJD-UBFVSLLYSA-N 422.544 4.044 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c1C 101417683 QOLHUCVLXVPCQL-XYJFISCASA-N 412.490 4.057 0 1 HIAF Cc1cc(OC[C@H]2CCC[C@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)ccc1F 118680021 CFMVZRSEANQYHW-OALUTQOASA-N 422.504 4.425 0 1 HIAF O=C1CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(F)ccc43)cc2N1 143375109 ONXZXRTWUOVXSW-QGZVFWFLSA-N 419.403 4.034 0 1 HIAF CC(C)C[C@@H](Nc1ncc2ccc(F)cc2n1)c1ccc(C(=O)NCCC(=O)O)cc1 148729399 BDUHTGNWMJUCPE-LJQANCHMSA-N 424.476 4.173 0 1 HIAF COc1ccccc1CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166692583 AYVWDSOCZQHGEU-UHFFFAOYSA-N 401.466 4.173 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@H](F)C[C@]4(C)[C@H]3CC[C@@]21C 169370391 JPOAJVXSZNVFCE-DIDJVTAESA-N 406.586 4.282 0 1 HIAF Cc1nc(-c2ccccc2F)c2c(N3CCc4cc(C5CC5)ncc4C3)ncnn12 169711791 HOMAPWRCTZFIDF-UHFFFAOYSA-N 400.461 4.074 0 1 HIAF CC(C)Cn1c(O)cn(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)c1=O 169729152 TWDJEVIUMQOGPB-UHFFFAOYSA-N 420.557 4.108 0 1 HIAF CC(C)(C)[C@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)O)C(=O)Nc1ccccc1 213407533 BZZVTPZKPMXERH-SIKLNZKXSA-N 424.541 4.270 0 1 HIAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1cccc(Cl)c1Cl)C2 219525329 LEOWZODDZJSRII-JTQLQIEISA-N 402.285 4.069 0 1 HIAF O=C(O)c1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1F 586958646 HAYIETKUXFWFGX-LJAQVGFWSA-N 408.454 4.439 0 1 HIAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)s1 587014738 PLYLYEIXPRSJSX-CYBMUJFWSA-N 422.576 4.123 0 1 HIAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCCC1 587226773 SFMSOYRTTYZSAM-FQEVSTJZSA-N 414.550 4.151 0 1 HIAF COc1ccc2c(c1N)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339566 UMYUCRLUKPBJLL-ZJSXRUAMSA-N 405.425 4.323 0 1 HIAF CCc1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344515 CVUGQIMVCWWAQL-RDPSFJRHSA-N 403.409 4.300 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416581 DESGZWFJRMJMDA-IMZWBVRYSA-N 414.299 4.176 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](N3C(=O)c4ccccc4C3=O)C1)CC2=O 587482027 YTPHOPVOBAWRFV-ODCWNRFASA-N 419.477 4.288 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Br)s1 587610368 FORJFENULVJBCU-XJKSGUPXSA-N 404.241 4.314 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccn(C)n2)N1 587734386 NDTWXPWZVUUMGK-FKIZINRSSA-N 418.285 4.287 0 1 HIAF Cc1ccc([C@@]2(c3ncc[nH]3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794145 SYAGUAXPDLGNFC-RNODOKPDSA-N 400.295 4.446 0 1 HIAF O=C1c2ccccc2C(=O)N1CCCCCCCN1CCN(Cc2ccccc2)CC1 653717135 QSQQTKHAGMWUGS-UHFFFAOYSA-N 419.569 4.051 0 1 HIAF O=C(CN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1)Nc1ccccc1 653768412 HXUVHVNMEZRUOS-UHFFFAOYSA-N 423.520 4.058 0 1 HIAF CC(C)=C1NCCc2ccc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)cc21 962729915 LANPMCARBSSPBX-PZJWPPBQSA-N 400.444 4.318 0 1 HIAF Cc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182175 NHLFWOWCOAMHNH-IFXJQAMLSA-N 411.807 4.292 0 1 HIAF COc1cc(-c2n[nH]c3ccnc(-c4ccc(N(C)C)cc4)c23)cc(OC)c1OC 205231697 BZHMNMYMPZHBIM-UHFFFAOYSA-N 404.470 4.384 0 3 HIAF O=C(CCc1nc2cccnc2n1Cc1ccccc1)NCc1ccc(Cl)cc1 4901246 GXWVBRHUSOTZCH-UHFFFAOYSA-N 404.901 4.382 0 1 HIAF O=C(Nc1cnccn1)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 13605291 TXZSEEGAARAJRD-SSEXGKCCSA-N 414.490 4.021 0 1 HIAF COc1ccc(N2Cc3c(Cl)cccc3C2=O)cc1OCCN1CCCCC1 28819736 YYVDDAVCQPNANZ-UHFFFAOYSA-N 400.906 4.374 0 1 HIAF CN(C)Cc1ccc(N/C=C2\C(=O)NC(=O)c3ccc(Nc4ccccc4)cc32)cc1 29048388 HGHDZEFPVWFRLH-HAHDFKILSA-N 412.493 4.215 0 1 HIAF O=C(CCc1nc2ccccc2[nH]1)NCCCNc1ccnc2cc(Cl)ccc12 40861132 HZDCNSDCUZFKNT-UHFFFAOYSA-N 407.905 4.316 0 1 HIAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(F)c(Cl)c2)C(=O)O1 40863537 KFUDNEVMRUDUBU-ZZKIFARHSA-N 412.885 4.300 0 1 HIAF COc1ccc(COc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1 71296197 YEGUMXWYMKIFLV-UHFFFAOYSA-N 406.467 4.299 0 1 HIAF CC(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](C(C)C)N2 82206359 QKYVXNVSEFGWCX-NRFANRHFSA-N 420.557 4.120 0 1 HIAF CC1(C)CCN(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccc(F)cc3)c21 101668389 BFXQFSUOOFMKKB-YEIZQEJRSA-N 423.532 4.075 0 1 HIAF OC[C@H](O)CN1[C@H](CCc2cccc(F)c2)CCC[C@@H]1CCc1cccc(F)c1 103301437 BKWPMHODLGTZRK-TZRRMPRUSA-N 403.513 4.107 0 1 HIAF C[C@@H](Oc1nc(-c2cc(F)c(Cl)c(F)c2)cc2ncccc12)[C@H]1CNC(=O)C1 141831761 IFABPGCDRMSXLB-ZYHUDNBSSA-N 403.816 4.132 0 1 HIAF Cc1nccn1-c1ccc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 142086069 RIAHHEUOSGKUFF-DNVCBOLYSA-N 406.490 4.125 0 1 HIAF CC1(C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccncc5C4)cc3)CC2)CC1 167229134 RHJNXBUJMLXATA-UHFFFAOYSA-N 402.498 4.045 0 1 HIAF COc1cc([C@@H](O)CCOC(C)(C)O)cc2cc(-c3ccc4c(c3)OCO4)oc12 473154426 HHVVTFSVPUGHOB-INIZCTEOSA-N 400.427 4.006 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587151968 JHIYUAZWJHBATK-LSDHHAIUSA-N 405.470 4.191 0 1 HIAF COc1cc2c(cc1OC)C(=O)N(Cc1cc3c4c(cccc4n1)CC3)/C(=C/Cl)N2 587209612 UGLKJCUMBOQWTM-SRZZPIQSSA-N 421.884 4.456 0 1 HIAF COC(=O)C[C@@H](C(=O)OC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362627 KZAWCDZFJDLNFY-GOSISDBHSA-N 419.433 4.476 0 1 HIAF COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)(c1cc(C=O)n(C)c1)[C@@H](C2)C3=O 587417195 AJECUKHEJSLORN-WMZHIEFXSA-N 407.853 4.191 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc4cc5c(cc4nc1Cl)OCCO5)[C@@H](C2)C3=O 587421614 QGUNNHBOSXTZEG-YEJXKQKISA-N 409.825 4.157 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CN4CCCCC4)c1)[C@@H](C2)C3=O 587445384 WHVUEPFVWGLQQZ-CPJSRVTESA-N 407.510 4.353 0 1 HIAF O=C1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc2N1 587569054 JZMLUBSMQWHQCY-REWPJTCUSA-N 405.381 4.121 0 1 HIAF CC(C)(C)OC(=O)[C@@H]1[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587590790 APYZOSDDTLARHH-WIRSXHRWSA-N 410.466 4.336 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ncccn2)s1 587614074 QZKONEGMFOHUJI-QFBILLFUSA-N 403.419 4.009 0 1 HIAF COc1ccc(NCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587657093 UKVIAJSTEZHENZ-UHFFFAOYSA-N 421.403 4.103 0 1 HIAF CCOc1ccc(-c2nn(CC[C@@H]3CCCN3C)c(=O)c3ccccc23)cc1OCC 587668722 FZEXELPYSGBUMV-IBGZPJMESA-N 421.541 4.345 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccn(C)n2)N1 587734387 NDTWXPWZVUUMGK-MPBGBICISA-N 418.285 4.287 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)N3CCc4cccc2c43)N1 587790876 JMCWUQCJYABMCG-LAJNKCICSA-N 415.306 4.049 0 1 HIAF COc1cccc([C@@]2(CC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587809949 SBCKOHCCFFMVQX-MPBGBICISA-N 406.295 4.354 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc3c(c2)CCCC3)N1 587832676 ZUETZOTUNMBWPL-XUSGNXJCSA-N 418.306 4.329 0 1 HIAF O=C(Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1)c1cnccn1 653753162 RMZHMBLHWYYUGT-UHFFFAOYSA-N 419.395 4.284 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2c[nH]c3cnc(Cl)cc23)N1 962708392 YZWRYHYVJMBCMB-CZUORRHYSA-N 413.758 4.063 0 1 HIAF COc1cccc([C@@]2(CCc3ccc(F)cc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962902055 VGJBTSWYIXHSFV-UKILVPOCSA-N 423.459 4.449 0 1 HIAF CN(C)C(=O)c1ccc(N(Cc2ccc(Cl)cc2)C(=O)c2ccc(O)cc2O)cc1 1857587481 FUOYLHLTUNTBFV-UHFFFAOYSA-N 424.884 4.300 0 1 HIAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356563920 DYDLRZYTFMJQAL-ZCNNSNEGSA-N 403.530 4.180 0 1 HIAF CC(=C[C@H](C)C[C@H](CO)C[C@H](C)C[C@H](C)[C@@H](C)O)C=C(C[C@H](C)C(=O)O)C(=O)O 2356872078 YOSAXDOXINGSJA-IEKSPZHNSA-N 412.567 4.122 0 1 HIAF Cc1ccc(-c2nc([C@H]3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)no2)cc1 201476272 ZHXCVBZLNXDVCQ-AWEZNQCLSA-N 423.947 4.328 0 3 HIAF CCN(CC)C(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@@]4(C)[C@@H]3CC[C@]12C 26387567 SLZJMEMEWDUTRZ-ZLYPYOQPSA-N 403.611 4.127 0 1 HIAF O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccc(F)cc5)c4)CC3)c2o1 26395342 PVVDKVCBIPGTQT-UHFFFAOYSA-N 403.457 4.249 0 1 HIAF CC(C)NC(=O)[C@@H](C)Sc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 33941592 FXQAHKCRKNITQZ-OAHLLOKOSA-N 405.527 4.033 0 1 HIAF O=C(NCC1CC1)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 43012071 YASHLRFPXFLHSZ-UHFFFAOYSA-N 406.526 4.010 0 1 HIAF CN1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccc(Br)cc23)CC1 64403876 RYNAIQIEKBLGDT-UHFFFAOYSA-N 417.738 4.465 0 1 HIAF COC(=O)[C@H](Cc1c(CCC(C)C)[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O 64453697 KIZGCNLWKCUPBO-QFIPXVFZSA-N 418.493 4.137 0 1 HIAF Cc1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2C[C@H]2CCCO2)o1 82179608 LEPBXMPKYRHHMF-GOSISDBHSA-N 421.476 4.367 0 1 HIAF O[C@@H]1CCCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1 96174015 YGTPYDLLWKYNHH-LJQANCHMSA-N 424.508 4.010 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3ccccc3)CS2)cc1 96273663 HCPJONOCDRERJJ-FQEVSTJZSA-N 416.550 4.325 0 1 HIAF N#Cc1cccc2c1c(C[C@H](O)CO)cn2-c1ccc(Oc2ccc(F)cc2)cc1 146629663 KPXZTGVWTHOCPX-FQEVSTJZSA-N 402.425 4.329 0 1 HIAF CN(c1nc2cc(F)ccc2s1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 203540747 APDRHYQYVDOJEH-CQSZACIVSA-N 409.486 4.468 0 1 HIAF O=C(CCCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21 205359239 SZCNRRNAJZESNQ-LJQANCHMSA-N 420.431 4.289 0 1 HIAF CC(C)(C)CC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(=O)O 206925514 SOUCRGYZJLSQPH-GOSISDBHSA-N 422.934 4.170 0 1 HIAF N[C@@H](N=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586966821 SITGOQHAQUHGPX-IBGZPJMESA-N 419.514 4.096 0 1 HIAF CCOC(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042052 HGNSORRIAHNTQI-INIZCTEOSA-N 401.875 4.049 0 1 HIAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 587089645 XAJIQCGGUIFZKJ-UHFFFAOYSA-N 407.776 4.374 0 1 HIAF COC(=O)c1ccnc2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc12 587121848 NNDUZWFKOVIECL-UHFFFAOYSA-N 402.332 4.167 0 1 HIAF COc1cc(OC)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 587185243 ZWZBPKWQNNSKDW-VOTSOKGWSA-N 406.223 4.355 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)C[C@H]1CCCO1 587197440 OWPPGHIBDIFRGE-SNVBAGLBSA-N 401.294 4.181 0 1 HIAF Cc1nn(C)c(C)c1[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331825 QUKNLOSVBNPHLQ-KNQAVFIVSA-N 416.399 4.401 0 1 HIAF Cc1cccc2c1N(C)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340961 UXMAOVKJHRCHOG-HYBUGGRVSA-N 403.409 4.071 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCn3c(O)nc4cccc2c43)[C@@H]1c1ccc(F)cc1 587351217 ZHOWDLUKVIXZEJ-HYBUGGRVSA-N 416.408 4.245 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccccc1OC)([C@@H]1CCCC[C@H]1C(=O)O)[C@@H](C2)C3=O 587440178 AXONLIVUGNWMDM-WTVMNDFJSA-N 422.477 4.238 0 1 HIAF O=Cc1c(F)c(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1F 587555397 KUECIGHLPNOVOH-SZNDQCEHSA-N 418.298 4.464 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576444 HARLLPURGFNWBI-ZJSXRUAMSA-N 419.433 4.236 0 1 HIAF COC(=O)c1cccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 587586425 CFJLPVNELVPZQN-WMZHIEFXSA-N 415.401 4.363 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCN(Cc1ccccc1)C2 587593139 JKQPGRCAAVDYNE-RCZVLFRGSA-N 401.462 4.389 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2nccn2C)N1 587731938 MBSBNKZYFFYKJC-YUNKPMOVSA-N 418.285 4.287 0 1 HIAF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccn1 587763522 JWQBPSNCECMPNJ-FKIZINRSSA-N 415.310 4.275 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCOC3=O)c2)N1 587764274 CVXPBWFYBMJWML-FKIZINRSSA-N 419.294 4.343 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(=O)n(C)c3ccccc23)N1 587771996 UWYNUNFIYZUQSD-PRWKNARSSA-N 401.279 4.064 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CCN(C(=O)OC(C)(C)C)C2)N1 587773989 LFTVXNMQJYDDTH-BLVKFPJESA-N 411.315 4.125 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587791245 KNHQTPDEXANJML-XTZNXHDOSA-N 417.278 4.480 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792032 OAOZUGPYGXHZEQ-HOGDKLEQSA-N 409.299 4.283 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)O)nn3ccccc23)N1 587797732 SBRCMKSCPRCILJ-BBATYDOGSA-N 418.310 4.087 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1c(C)cccc1C 587867206 AFEQSLDXPUMGFP-UHFFFAOYSA-N 405.376 4.309 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(Cl)nc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962722061 YCWMJBXDZNQFIW-QVKFZJNVSA-N 420.937 4.044 0 1 HIAF Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1 962926263 AUBZFNZSPQPVRK-QYBDOPJKSA-N 419.613 4.472 0 1 HIAF C[C@H]1CCCCN1c1nc(O)c(-c2nc3ccccc3s2)c(N[C@@H]2CCCNC2)n1 1772577111 RPSPRDFGWSRLEO-LSDHHAIUSA-N 424.574 4.002 0 1 HIAF NCc1cccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)c1 1772590560 MUQGXMRSNYTSLA-FTJBHMTQSA-N 412.581 4.134 0 1 HIAF CC1=C[C@H](CNC(=O)N2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356752464 RXZLOVVFNFNQRS-HBMCJLEFSA-N 424.589 4.310 0 1 HIAF O=C(Nc1ccc(Cl)cn1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2456081 VCFFNDUMCUTQCC-SFTDATJTSA-N 403.869 4.211 0 1 HIAF CCc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 21261994 HFPCSACDAWYTKY-UHFFFAOYSA-N 402.498 4.112 0 1 HIAF Cc1cccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c1C 27723547 ROIODKFPKIFWND-UHFFFAOYSA-N 407.558 4.169 0 1 HIAF CC(=O)Oc1ccc(CSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 28862856 QNCHUJJNNDCAII-UHFFFAOYSA-N 416.449 4.165 0 1 HIAF Brc1cccc(Nc2ncnc3ccncc23)c1NCCCn1ccnc1 29133097 MJOCIJJZVORFEJ-UHFFFAOYSA-N 424.306 4.230 0 1 HIAF NC(=O)c1ccc2nc(-c3ccc(C4(c5ccc(Cl)cc5)OCCO4)cc3)[nH]c2c1 38346857 GTFUNBQXSHQEGK-UHFFFAOYSA-N 419.868 4.230 0 1 HIAF C[C@@H](CC(=O)OC[C@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1)CC(C)(C)C 40391306 BBJGEALTXUKPHL-XHDPTINRSA-N 408.922 4.407 0 1 HIAF COc1ccc(-c2[nH]c(S(=O)(=O)C(F)(F)F)nc2-c2ccc(F)cc2)cc1 40640113 GIBKSOZNTLLWNP-UHFFFAOYSA-N 400.353 4.185 0 1 HIAF C[C@H](NC(=O)c1cc(-c2cncnc2)cnc1N)c1c(Cl)ccc(F)c1Cl 84688794 YOBQOXCHFBBKMF-VIFPVBQESA-N 406.248 4.058 0 1 HIAF O=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1 95560316 XLUUDYWBFNRFSF-UHFFFAOYSA-N 422.554 4.113 0 1 HIAF Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565686 FERPTKDTDOHYAF-UHFFFAOYSA-N 407.823 4.419 0 1 HIAF COc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(-c3cccc(OC)c3F)ccc1O2 95579318 NSIJUJTVSFVOSJ-HSZRJFAPSA-N 406.413 4.204 0 1 HIAF COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@]1(OC)C[C@H]2c1ccccc1 101308898 PVDBTCWXKNGYRQ-KENNDZPLSA-N 415.533 4.083 0 1 HIAF O=C(O)[C@@H]1C[C@@H](C2=CCN(c3ccccc3)C2=O)c2c(Cl)cc(Cl)cc2N1 139227916 WCVMSBDOPRGOSK-YOEHRIQHSA-N 403.265 4.319 0 1 HIAF COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3cccc(F)c3)[C@H]21 169303871 HWNRGGCGQHBPEW-NRFANRHFSA-N 404.397 4.162 0 1 HIAF Cc1ncc(-c2ccc(=O)n(C)c2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 209433516 JEMXSKAKBVIAFW-QUCCMNQESA-N 412.493 4.190 0 1 HIAF CCCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C 218972267 IRGFZOISHZVQAW-PIBDYAPNSA-N 412.574 4.014 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cncc(C)c3[nH]1)C(=O)OC2 586915199 IDXUVZNEWHIDHX-LFYBBSHMSA-N 407.470 4.081 0 1 HIAF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccccc3[nH]2)C[C@@H](C)O1 586969367 WRPLTFZZZGHWBJ-HUUCEWRRSA-N 405.527 4.412 0 1 HIAF COc1cc(/C=C\c2nc3ccc(C(=O)N(C)C)cc3[nH]2)ccc1Br 586977805 SRGXJRRMIWHTRR-UITAMQMPSA-N 400.276 4.206 0 1 HIAF Brc1ccc2c(cnn2CCc2nc3cc(Br)cnc3[nH]2)c1 587003252 RUXPODWUVADDFL-UHFFFAOYSA-N 421.096 4.075 0 1 HIAF Fc1c(Br)cc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1F 587005403 HRCXRBNLBJFHBA-UHFFFAOYSA-N 424.430 4.477 0 1 HIAF N=C(N)c1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1 587020443 AWOHXLGJIPVBPI-UHFFFAOYSA-N 411.494 4.776 0 1 HIAF CCCc1nc(-c2nc3nccc(Br)c3[nH]2)nn1-c1ccccc1F 587155299 DJWCGZSYJIEOKW-UHFFFAOYSA-N 401.243 4.060 0 1 HIAF Cc1nc(N(C)C)ncc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587194351 DTJQARRMYZIPOQ-UHFFFAOYSA-N 404.312 4.192 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCOc3c2ccc(O)c3F)[C@@H]1c1ccc(F)cc1 587329142 CHWXUISCSBWRSM-XXBNENTESA-N 410.372 4.413 0 1 HIAF Cc1cc(C)c([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 587347241 ARRSHYMLOJJBSA-RDGATRHJSA-N 422.452 4.022 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCOc4c(Br)cccc41)[C@@H](C2)C3=O 587419220 XETQFDKHXZYRKA-XOBRGWDASA-N 401.256 4.273 0 1 HIAF COc1cc2c3c(c1)O[C@](C(=O)N[C@H](C)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587433775 WJVZTQMFTRDBKB-BSBLBABLSA-N 413.473 4.216 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-n1c2nc2ccccc2c1=O 587521182 ALTZBEWSQSHLCF-MHZLTWQESA-N 420.468 4.487 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575493 CESJAQBFYURZHL-ZJSXRUAMSA-N 401.418 4.154 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c(O)nc1-c1ccccc1 587591545 VYERRTMIHGIYAN-HTAPYJJXSA-N 400.390 4.191 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Br)cs1 587615656 XJWALAYVIQCLHS-CJNGLKHVSA-N 404.241 4.314 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)n(C)n2)N1 587713247 MSSHXHKOKGSTCG-AYVTZFPOSA-N 406.221 4.138 0 1 HIAF COc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587743058 NHMFDCNFHKABAT-YUNKPMOVSA-N 421.310 4.375 0 1 HIAF Cc1cc(C(=O)N(Cc2ccsc2)c2ccc(C(=O)N(C)C)cc2)c(O)cc1O 653768475 QVCWCOWQNKHDIK-UHFFFAOYSA-N 410.495 4.017 0 1 HIAF COc1cc2c(cc1OC)C1(CC(C(=O)O)(c3cccc(Cl)c3)C1)N(C)[C@H](C)C2 962572714 QFJXRMFDRQCLJD-YCJKGERQSA-N 415.917 4.245 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC[C@@H]3CN(C(C)=O)c4cccc1c43)N(C)[C@H](C)C2 962633504 PHTWCLXSFFAUPY-XVNUGVHUSA-N 406.526 4.068 0 1 HIAF O=C([C@H]1Cc2ccccc2[C@H](C2CCN(Cc3ccccc3)CC2)N1)C(F)(F)F 962764309 LLDRFRACDZZWJA-RTWAWAEBSA-N 402.460 4.286 0 1 HIAF Cc1ccccc1-c1nc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)co1 962968694 DHKYZOABCTUEQM-KDOFPFPSSA-N 404.800 4.270 0 1 HIAF O=C1[C@H](c2ccccc2)Oc2cc(O)ccc2[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963115656 XFIINRFPWYGFQN-YZXAJQSBSA-N 415.464 4.498 0 1 HIAF COc1cc(/C=C/C(=O)NCCNc2c3c(nc4ccccc24)CCCC3)ccc1O 29047026 BPEMBGATMVJEHW-ACCUITESSA-N 417.509 4.069 0 1 HIAF COc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Cl)cc3F)n2C)cc1 29124708 HYPYKRVHSLKCFE-NMWGTECJSA-N 405.882 4.301 0 1 HIAF CCCN(Cc1ccc(Cl)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40915651 IWSRHYWQGQJZFL-NRFANRHFSA-N 420.891 4.010 0 1 HIAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CC(=O)N(Cc2ccccc2)C1 43205879 SNGZRSUJQKMXGI-HNNXBMFYSA-N 410.823 4.024 0 1 HIAF O=c1cc(-c2ccc(Cl)cc2)ccn1-c1ccc2c(c1)CCN2C1CN(CCF)C1 68197260 KXPUATVYWXKDJH-UHFFFAOYSA-N 423.919 4.174 0 1 HIAF C[C@@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2cccc(C(=O)O)c2)C1=O 72106209 CZUIQZMZFALDNR-QHCPKHFHSA-N 418.405 4.398 0 1 HIAF CC[C@H](Nc1nc(NCc2cccc(Cl)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O 96177790 RMHPTNZDIDOFNC-CJNGLKHVSA-N 402.930 4.244 0 1 HIAF COCO[C@@H](c1ccccc1)[C@H](Cn1ccnn1)c1ccc(Br)cc1 96286434 SWQHVRSNSNSTAN-MOPGFXCFSA-N 402.292 4.186 0 1 HIAF CC1(C)C[C@H](NC(=O)Nc2cccc(Cl)c2)c2cc(NS(C)(=O)=O)ccc2O1 169340000 OGVCNVVROGMWCB-INIZCTEOSA-N 423.922 4.135 0 1 HIAF Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)C[C@@H]3C)[n+](C)[nH]1 221217587 HJWATNXDWOLWTD-LBPRGKRZSA-O 420.928 4.062 0 1 HIAF Cc1cc(-c2ccc(CNC(=O)c3sc4nnc(C)c(C)c4c3N)cc2)cnc1F 221847558 FEZMBWNSIVWYGQ-UHFFFAOYSA-N 421.501 4.330 0 1 HIAF CC(C)CN1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1 223667315 YKTNWOAAMZVSGC-UHFFFAOYSA-N 407.587 4.410 0 1 HIAF Nc1cnc(-c2ccc(-c3ccccc3Oc3cc(N4CCC4)ncn3)cc2F)cn1 224754312 UPNCVAKHQIULPE-UHFFFAOYSA-N 414.444 4.324 0 1 HIAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)cc(Cl)c2[nH]1 586964690 JWMKCDGYXIRVHT-UHFFFAOYSA-N 422.345 4.327 0 1 HIAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(O)nc(S)nc2[nH]1 586983741 IHJMGGILFNNILJ-NSHDSACASA-N 407.337 4.482 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017820 QJIHIJNDKBVMQS-UHFFFAOYSA-N 411.508 4.082 0 1 HIAF Brc1ccc(Br)c2[nH]c(Cc3csc4nccn34)nc12 587039977 IIAGRDDQRGAGCY-UHFFFAOYSA-N 412.110 4.388 0 1 HIAF Cc1ccnc2[nH]c([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc12 587141532 RZLPBRCPFYDZOH-HNNXBMFYSA-N 410.902 4.125 0 1 HIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587174885 NFRHTSCQKANWPO-NSHDSACASA-N 413.325 4.475 0 1 HIAF CC(C)(C)OC(=O)NC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332279 CZQNCCKBIQHVFH-AVRDEDQJSA-N 401.434 4.174 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc3c(c1)OCCO3)CC2=O 587481869 IOBUGGMGEYMICL-FQEVSTJZSA-N 406.438 4.213 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCC(F)(F)F)nc1 587551376 ZZANEWKVAWZTDS-XLIONFOSSA-N 417.339 4.431 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(C(F)(F)F)cc2)N1 587711804 ILDHPQMBZZGEMY-BTDLBPIBSA-N 418.228 4.377 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(C2CC2)N1 587754510 KDEWXLWYMSGXFC-WYRIXSBYSA-N 413.331 4.252 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCOCC3)c2)N1 587774474 ODJKTHFUNWNRRH-LHSJRXKWSA-N 419.338 4.223 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccncn3)s2)N1 587856154 WJDAQXUIKHEDFD-ABKXIKBNSA-N 405.296 4.125 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(c1c(C)[nH]c(C(=O)O)c1C(C)C)N(C)[C@@H](C)C2 962641967 YCALJLNJIZOJQR-ZAMGYDSWSA-N 400.519 4.302 0 1 HIAF CC1(NC(=O)OC(C)(C)C)CC2(C1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962722147 ZCFQAVVMUKAQOC-IYJORBIASA-N 406.567 4.462 0 1 HIAF CCc1ccc([C@@]2(c3ccc(Cl)nc3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962908245 UPHYQDNMQURECU-CVDCTZTESA-N 410.876 4.327 0 1 HIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2nc3ccc(F)cc3[nH]2)N1 963181719 HFKTZYHLEVAPHG-IUODEOHRSA-N 413.758 4.063 0 1 HIAF CC[C@]1(c2ccc(Br)cc2C(F)(F)F)c2nn(C)cc2CCN1C 963955128 NSSMWACEYVXZEE-INIZCTEOSA-N 402.258 4.343 0 1 HIAF NCc1cc(Oc2cccc(C(=O)Nc3ccccc3N)c2)nc(C(F)(F)F)c1 1857565315 WVKIBJHTNOYKRG-UHFFFAOYSA-N 402.376 4.186 0 1 HIAF O=C(Nc1cnc(OC2CC2)c(Cl)c1)C1CCN(c2ncccc2Cl)CC1 1857569384 BBFKTYQGWOPGCG-UHFFFAOYSA-N 407.301 4.180 0 1 HIAF C1=C[C@@H]2N=C(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)N[C@@H]2N=C1 1857590185 DYUTWRFEEOPXMN-JTSKRJEESA-N 417.538 4.073 0 1 HIAF O=C1Nc2ccccc2[C@@]12CCN(CCN1CCC(c3ccc(Cl)cc3)CC1)C2 1857759138 HKEJCVZPKVGQNA-DEOSSOPVSA-N 409.961 4.115 0 1 HIAF COc1c([C@H](CC(C)C)OC(C)=O)ccc(O)c1C(=O)c1c(O)cc(C)cc1C=O 2356873116 YFAAXYFTAMLVMS-IBGZPJMESA-N 414.454 4.109 0 1 HIAF COc1ccc(CNC(=O)Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)cc1 61906551 JZFJOQKOJYBFRI-QGZVFWFLSA-N 416.934 4.369 0 3 HIAF COc1ccc(NC(=O)[C@H](C2CC2)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 95565120 MIRJTHXBAQJUGP-QFIPXVFZSA-N 415.449 4.255 0 3 HIAF CN1O[C@@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1cccc(C(F)(F)F)c1 205217452 OVWOIYJVHHNSCC-NRFANRHFSA-N 417.431 4.020 0 3 HIAF CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 263591345 XEKUMIDAHMMSES-LHFYJBELSA-N 402.623 4.168 0 3 HIAF CC1(C)CCC(C)(C)c2cc3c(cc21)NC(=O)CN(c1ccc(C(=O)O)cc1)C3=O 13651743 UATWOTZITSKHJI-UHFFFAOYSA-N 406.482 4.333 0 1 HIAF COc1cccc(C(=O)Nc2ccc(Cl)cc2CN2C(=O)c3ccccc3C2=O)c1 28948883 URSPQVYFZHQLIN-UHFFFAOYSA-N 420.852 4.397 0 1 HIAF COP(=O)(OC)O[C@H](c1cccc(Br)c1)P(=O)(OC)OC 29224748 FHPNGXOIMCFZCJ-NSHDSACASA-N 403.102 4.351 0 1 HIAF C[C@H]([C@@H](c1ccc2cc(OCC3(C(=O)O)CCC3)ccc2c1)n1ccnc1)N(C)C 40564790 WNMJTTIGNYLSJY-VGSWGCGISA-N 407.514 4.210 0 1 HIAF CCN(CC)CCNc1cc(N(C)C(=O)Nc2c(Cl)cccc2Cl)ncn1 40566789 BSYMJQPYSZCGOA-UHFFFAOYSA-N 411.337 4.205 0 1 HIAF CCSC(=S)SCC(=O)c1cccc(C(=O)NCCOc2ccccc2)c1 40934061 PYDLUHVKGIBZLZ-UHFFFAOYSA-N 419.593 4.449 0 1 HIAF CCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1 40938909 FACNLZWWUQUMDA-UHFFFAOYSA-N 410.539 4.342 0 1 HIAF Cc1cccc2nc(C)n(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c12 40943550 LCORHUWUZKGEHY-UHFFFAOYSA-N 403.526 4.398 0 1 HIAF CN(CCO)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1 71317808 PTDAFTZPNCBOIA-UHFFFAOYSA-N 419.978 4.269 0 1 HIAF C[C@H](CNc1ncnc2c1nc(C1CC1)n2CC[C@H]1CCCN1C)c1ccccc1 82197252 KGKSPQVSBSVBFU-YLJYHZDGSA-N 404.562 4.404 0 1 HIAF COc1cc(N2CCN(C(=S)Nc3cc(C)cc(C)n3)CC2)cc(C(F)(F)F)c1 95569156 UJDFJVKMTUFCHX-UHFFFAOYSA-N 424.492 4.245 0 1 HIAF CCOC(=O)[C@@H](CO)NC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@H]12 96901001 MVIDEWQCLWCLHW-KJOZEKRCSA-N 417.590 4.162 0 1 HIAF CC1=CC=C2/C=C/C(C)=C(/C)C[C@@H](C)C(=O)[C@@H](C(=O)O)[C@@]3(C)O/C(=C/1O2)C(O)=C3O 100091877 PBKVAXUNUBEUPO-OODTVMEMSA-N 414.454 4.377 0 1 HIAF in-vitro COC(=O)CSc1cc(-n2c(=S)n3n(c2=S)CCCC3)c(F)cc1Cl 103280824 BGRIWKPFKRVOAX-UHFFFAOYSA-N 419.956 4.391 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(Cl)c(C(F)(F)F)n3)C2)cc1 142232113 DJRHHMOIIVGRCA-NSHDSACASA-N 413.827 4.219 0 1 HIAF COc1cccc(CN2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCO)c1Cl 299835722 LISFCDDDTRFTSL-URFJDIBFSA-N 406.998 4.186 0 1 HIAF CCOC(=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018619 KOWPVMGURAVCMI-UHFFFAOYSA-N 421.478 4.225 0 1 HIAF Brc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2n1 587029050 FPSQEOXRWAIGLH-UHFFFAOYSA-N 411.288 4.242 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)c1 587049443 JDLAUBOPXMJDHH-VOTSOKGWSA-N 422.876 4.483 0 1 HIAF O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1 587171426 ZRBAZCHQLVYHNM-LJQANCHMSA-N 415.877 4.423 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c2ccc(F)c3F)[C@@H]1c1ccc(F)cc1 587338009 SSTTVPRFIJJABJ-VGSWGCGISA-N 411.335 4.016 0 1 HIAF O=C(O)C[C@@H]1CCc2occc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349638 FUEWDZKYICDFJE-FKIJXQQXSA-N 422.408 4.416 0 1 HIAF C[C@H](NC(=O)OC(C)(C)C)C(=O)CC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587508882 FXOSWMYUFGVXJA-GOEBONIOSA-N 401.503 4.162 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2N2CCOCC2)N1 587723590 XNYKBHGURUUAFF-CWTRNNRKSA-N 423.301 4.188 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Cl)ccc(F)c12 587734846 RVRBULFDVJFLGW-GJEGPGMTSA-N 413.649 4.111 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2cccnc2)N1 587756485 RPPLIGIQFHSSCX-RNODOKPDSA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccn2Cc2ccccc2)N1 587759162 ZFMSWMRNNKAYSN-ORAYPTAESA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCOCC3)c2)N1 587769411 AYOUQQUBONFLAF-RBZFPXEDSA-N 405.311 4.048 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CN3CCOCC3)c2)N1 587777177 ZNLXZENTTIDIOI-SZNDQCEHSA-N 419.338 4.044 0 1 HIAF Cc1csc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)n1 587849970 CHNLIDNXEFQWNH-LLVKDONJSA-N 410.356 4.383 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)sc3c2CCN(C)C3)N1 587853847 OFWGYARAHXHACD-GIGQVBGESA-N 424.383 4.018 0 1 HIAF Cc1cc2nc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cn2cc1Br 587871765 BINLIDNJHWXGCN-UHFFFAOYSA-N 413.206 4.202 0 1 HIAF CCOC(=O)c1ccc([C@]2(C3CC3)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962575914 WJXSRCRREPZQKS-LMKMVOKYSA-N 409.526 4.411 0 1 HIAF CCCN1C=C(C(=O)O)[C@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2cc(F)ccc21 963115175 USQGXACZFGVGOA-KOSHJBKYSA-N 410.464 4.427 0 1 HIAF CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccccc4)c12)[C@H](CC(=O)O)CCC3 1857757214 LHKBMZGKMLZMTB-HNNXBMFYSA-N 415.486 4.127 0 1 HIAF CC(=O)OCC(C)=CCCC(=CCCC(=CCCc1ccoc1)C(=O)O)C(=O)O 2356662232 HZACVSICXUMUFW-UHFFFAOYSA-N 404.459 4.304 0 1 HIAF COc1cc(Nc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc(OC)c1OC 5597213 GICRJTKAQVGUGG-UHFFFAOYSA-N 417.469 4.231 0 1 HIAF O=C(O)COc1cccc(CCC(=O)NCC(c2ccccc2)c2ccccc2)c1 13727586 SNXBWPWACUOVAC-UHFFFAOYSA-N 403.478 4.031 0 1 HIAF CCCCOC(=O)Nc1ccc2ccn(Cc3ccc(-c4nnn[nH]4)cc3OC)c2c1 26490626 GGPQOIZGIHZWMC-UHFFFAOYSA-N 420.473 4.227 0 1 HIAF CCCc1nc(CCC)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1C=O 27734081 JWTQKBMNZOUKNG-UHFFFAOYSA-N 414.513 4.496 0 1 HIAF O=C(Cc1nnc(-c2nc3ccccc3[nH]2)o1)Nc1cc(C(F)(F)F)ccc1Cl 36379039 HTQAHSPCJKHVBC-UHFFFAOYSA-N 421.766 4.466 0 1 HIAF Cc1ccc(N2C(=O)c3ccccc3N3C2=NNC(=S)N3c2ccc(C)cc2)cc1 40411985 WRGGAPATDVZQLZ-UHFFFAOYSA-N 413.506 4.351 0 1 HIAF O=C(O)c1cn(Cc2ccc(-n3ccc4ncccc43)cc2)c2cccc(F)c2c1=O 45364703 WYRHXEANNZDBIO-UHFFFAOYSA-N 413.408 4.226 0 1 HIAF Cc1ccc(-n2nccn2)c(C(=O)N2CCCC[C@H](COc3ccc(F)c(C)c3)C2)c1 68205307 HQNPMSSJLVLOSB-IBGZPJMESA-N 422.504 4.345 0 1 HIAF O=C1CSC(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccccc2)=N1 73296744 ILHWBBJDMDWNNH-MRXNPFEDSA-N 400.301 4.230 0 1 HIAF Fc1cccc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)c1 82181581 TUJNZXXYFZYZQO-QGZVFWFLSA-N 409.490 4.485 0 1 HIAF Cc1ncccc1Oc1cc(N2C3CC4CC2CC(C3)N4C(=O)OC(C)(C)C)ncn1 95593719 XDURQOCJPFHYSI-UHFFFAOYSA-N 423.517 4.091 0 1 HIAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCC2)[C@@H]1CO 95878245 VPPSXNQJMZMNKY-OYDLWJJNSA-N 405.542 4.180 0 1 HIAF C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CCCC2)c1 114347162 VXJNQGXNBJPYRH-CQSZACIVSA-N 403.486 4.031 0 1 HIAF CCCCc1sc(NC(=O)c2cc(O)c(O)c(O)c2)nc1-c1ccc(O)cc1 115807153 YVXOGXMXIINHDS-UHFFFAOYSA-N 400.456 4.227 0 1 HIAF COc1ccc2c(c1OC)[C@H](OC(C)=O)N(C)c1c-2ccc2cc3c(cc12)OCO3 139729120 OQQIVYCIMZYVIZ-QHCPKHFHSA-N 407.422 4.264 0 1 HIAF CN1CCC[C@@H]1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 143143914 KSNJNJAIHVDJGD-LJQANCHMSA-N 417.513 4.227 0 1 HIAF CCc1ncc(Cc2ccc3cccc(OCCO)c3n2)c2cc(OC)c(OC)cc12 145140482 KSRXFRVMXPFVNM-UHFFFAOYSA-N 418.493 4.325 0 1 HIAF O=c1c2c(n3cnnc3n1Cc1ccc(F)cc1)-c1cc(F)ccc1CC21CCCC1 169303705 AXERCHFFCDEWDG-UHFFFAOYSA-N 418.447 4.252 0 1 HIAF CC1(C)Oc2ncnc(N)c2N=C1c1ccc([C@H]2CC[C@H](CCC(=O)O)CC2)cc1 169307768 WYFNDORAPCUTHH-GASCZTMLSA-N 408.502 4.489 0 1 HIAF COc1ccc(C(=O)Nc2nc(-c3cc(OC)c(OC)c(OC)c3)cs2)cc1 207443552 CIEUASAOXDROPP-UHFFFAOYSA-N 400.456 4.097 0 1 HIAF Cc1cc(N2C(=O)c3nn(C(C)C)c(C)c3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O 220179209 GAFYFVRFEKFZOU-HXUWFJFHSA-N 410.905 4.183 0 1 HIAF C/C=C(/C)C(=O)OC/C(=C/C)C(=O)O[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 238732845 KSPCZOVYRUGCQU-FXFKVHTHSA-N 406.475 4.162 0 1 HIAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1C(F)(F)F 299839396 RFFDBCMGZWJJCC-UHFFFAOYSA-N 417.767 4.128 0 1 HIAF CSc1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 586986477 XVQMNJFXNGUBNA-INIZCTEOSA-N 404.333 4.467 0 1 HIAF CCCCCOc1cc2nc(CNC(=O)c3cscn3)[nH]c2cc1Br 587027332 BBFJMPVXQZRFPX-UHFFFAOYSA-N 423.336 4.281 0 1 HIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(-c3ccc(N)c(N)c3)ccc2[nH]1 587038779 LWENSGUICBXEST-UHFFFAOYSA-N 423.502 4.260 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(Br)c(O)c2[nH]1 587043130 OVMMWVKWFUQPCH-GFCCVEGCSA-N 424.707 4.340 0 1 HIAF Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Cl)cnc4[nH]3)o2)c1 587156914 BSHCJZNOTYHILU-UHFFFAOYSA-N 422.645 4.348 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)C1CCNCC1 587572339 SBQMVPYOOWFONO-DHLKQENFSA-N 419.452 4.388 0 1 HIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC 587590326 BWZOWQVOBQNUQN-YADARESESA-N 422.433 4.295 0 1 HIAF COc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587746427 ZNUCDHICWCRESK-YUNKPMOVSA-N 421.310 4.375 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2ccccn2)N1 587753408 ILWOXNWZTPSHIE-ZUOKHONESA-N 400.295 4.457 0 1 HIAF CC(=O)N(C)c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587757963 VVDZIMSPORKWSW-MPBGBICISA-N 405.311 4.369 0 1 HIAF CCOc1ccc(OCC)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 587778537 OWFKVFNGOMLMHS-UHFFFAOYSA-N 405.248 4.488 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccc(O)cc3oc2=O)N1 587838860 CUOAPLHSVAVTDG-WVDJIFEKSA-N 418.262 4.198 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(N)sc32)N1 587858454 QTKZMYVFPRWWTO-NIVTXAMTSA-N 410.356 4.377 0 1 HIAF C[C@H](NC(=O)NS(=O)(=O)c1ccccc1)c1ccccc1OCc1ccccc1 1857633683 YFIJSZRSFJBALS-KRWDZBQOSA-N 410.495 4.015 0 1 HIAF O=C1NC(=O)[C@@H](Cc2ccc(OCCn3ccc4ccc(Cl)cc43)cc2)S1 1857751553 JYYGYBWGUKAOMM-GOSISDBHSA-N 400.887 4.268 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(F)(F)C(=O)c1ccc2c(c1)OCO2 1857767469 UUXCLBWETQQWIE-KRWDZBQOSA-N 405.397 4.499 0 1 HIAF COc1ccc(C[C@H](N)c2csc(Nc3cc(NCc4ccco4)ncn3)n2)cc1 61895970 PEBKOCDMVUPPRR-KRWDZBQOSA-N 422.514 4.133 0 3 HIAF Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2F)c1S(=O)(=O)c1ccccc1 4907483 NMLMHNCMXIQXFQ-UHFFFAOYSA-N 416.474 4.138 0 1 HIAF COc1ccc([C@@H](NC(=O)c2ccccc2)c2ccc(C(C)C)cc(=O)c2O)cc1 25979737 PGOQOJDPHIRDLB-HSZRJFAPSA-N 403.478 4.404 0 1 HIAF CCOC(=O)c1cccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)c1 28767150 MTPMWTSYVKAREP-UHFFFAOYSA-N 407.861 4.448 0 1 HIAF COc1ccc(N2CC=C(c3ccc(C)cc3)C2=O)cc1OCCN1CCCCC1 40763146 JGNSVZMFJXGDJC-UHFFFAOYSA-N 406.526 4.299 0 1 HIAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C/c2ccc3ccccc3n2)C(=O)O1 45496161 DRXBCTFIEPSCHE-YSPNNUNSSA-N 411.498 4.056 0 1 HIAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NCCCc3ccccc3)ncnc21 82179919 IHLXFUAOZQIACU-UHFFFAOYSA-N 420.561 4.055 0 1 HIAF COC(=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(=O)N[C@@]21C 95603861 NHXKTVOEEMDBPA-XHPWGDQZSA-N 419.606 4.074 0 1 HIAF CS(=O)(=O)N1[C@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101483060 PKOKBTIPQRIEOB-OALUTQOASA-N 407.482 4.026 0 1 HIAF CC1(C)c2cc(OCCN3CCC[C@H](O)C3)ccc2C(=O)c2c1oc1ccccc21 114802304 FTARPNCDPIQGEY-INIZCTEOSA-N 405.494 4.139 0 1 HIAF COc1ccnc(-c2ccnc(Nc3ccc4sc(C(=O)N(C)C)cc4c3)n2)c1 144191264 JUDJZHUAPMIGJU-UHFFFAOYSA-N 405.483 4.207 0 1 HIAF CO[C@]1([C@@H]2CSC(=O)N2C)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 169361239 ZBEGSVSIVKRYDW-YCHMMROKSA-N 423.575 4.300 0 1 HIAF CC(C)n1c(O)cn(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)c1=O 169729175 FJRIEQQEAWFZMB-UHFFFAOYSA-N 406.530 4.033 0 1 HIAF CC(=O)N1CCc2c(c(-c3ccc(Cl)s3)nn2Cc2ccc(F)cc2F)C1 204889769 FGRDUZHBCLBOIZ-UHFFFAOYSA-N 407.873 4.496 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2C[C@H](c3ccccc3)CC[C@H]2C1 254092438 ILBCFHDOQNPYQO-SQNIBIBYSA-N 413.949 4.071 0 1 HIAF OC1CCN(Cc2ccc(OCCCc3ccc(-c4ccc(F)cc4)nn3)cc2)CC1 473110898 XFYUYPSWQGVSKG-UHFFFAOYSA-N 421.516 4.251 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cccc(S(C)(=O)=O)c4)[nH]c3c2)cc1 586926844 QXQCNQLICSXBAR-UHFFFAOYSA-N 422.462 4.212 0 1 HIAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587194161 MZMCELRDKSQLIS-LBPRGKRZSA-N 404.408 4.238 0 1 HIAF CC(C)[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)N(C)C(=O)OCc1ccccc1 587199196 ZMCYQKJSMGEEOX-NRFANRHFSA-N 406.486 4.413 0 1 HIAF Cc1ccc(F)cc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330511 FTLPRZHKDFPQBJ-NZQKXSOJSA-N 410.372 4.318 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350188 RJHXGDSYCJHEKW-QPPBQGQZSA-N 406.409 4.349 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1coc4ccc(Br)cc4c1=O)[C@@H](C2)C3=O 587418992 QWXBTNOMGGICKZ-RBZFPXEDSA-N 413.223 4.053 0 1 HIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(F)ccc(F)c41)[C@@H](C2)C3=O 587430121 YJVTYTMZIFXAON-IZHWHUGBSA-N 404.368 4.209 0 1 HIAF Cn1cc([C@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587570139 KIQXFJRNTAEHEY-QPPBQGQZSA-N 416.408 4.170 0 1 HIAF C[C@@H]1C[C@]2(CN1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581530 HSDFBKHLRXAQOZ-CFRFINDLSA-N 401.462 4.387 0 1 HIAF O=C(CSc1ccccc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661643 QDGIEUKQXHTDFJ-UHFFFAOYSA-N 406.438 4.341 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCNC(=O)OC(C)(C)C)N1 587752571 DSNLVOHCQNMFLR-BBATYDOGSA-N 401.320 4.252 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789513 DPMOSQJYWDTGPG-UGZDLDLSSA-N 407.283 4.037 0 1 HIAF CCc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(S)n1 587841429 BJBSRPBRORDNBN-NIVTXAMTSA-N 410.356 4.335 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccccc2)[nH]n1 587869681 MRODCWPVFQYMCJ-UHFFFAOYSA-N 413.359 4.051 0 1 HIAF COC(=O)c1ccc(-c2cc(=O)n3nc(C)c(Cc4ccc(Cl)cc4)c3[nH]2)cc1 653668775 LUAGMQSANAOCGC-UHFFFAOYSA-N 407.857 4.029 0 1 HIAF Cc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O 653677642 MZYFUTAKZNZIFC-ZDUSSCGKSA-N 409.873 4.498 0 1 HIAF COc1cc(-c2ccc(F)nc2)cc2c1nc(C)c1c(C)nc(Br)n12 653786012 QCHWYXJUABEAHP-UHFFFAOYSA-N 401.239 4.472 0 1 HIAF COc1ccc(Br)cc1C[C@@]1(C(F)(F)F)NCCc2c(C)ccnc21 963064697 CCLDTRHWZLVJGF-QGZVFWFLSA-N 415.253 4.307 0 1 HIAF O=C1[C@H](c2ccccc2)Oc2cc(O)ccc2[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963115625 XFIINRFPWYGFQN-VFHOHQAYSA-N 415.464 4.498 0 1 HIAF O=C1C[C@@H](c2ccc(Br)cc2)C[C@@]2(C1)NCCc1c(C(=O)O)cccc12 963136186 YZUGKGJTMFZZDE-SZNDQCEHSA-N 414.299 4.025 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1 1772606707 AEYXDLOBWFCPDN-KRWDZBQOSA-N 408.889 4.017 0 1 HIAF Fc1cccc(F)c1Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1 1857654108 IWDRGPRCYVKETN-UHFFFAOYSA-N 406.318 4.076 0 1 HIAF Cc1c(-c2nnc(-c3ccc(Cl)cc3)o2)sc2ncnc(N3CCOCC3)c12 1857757436 ZYFGUHGNNKZAQU-UHFFFAOYSA-N 413.890 4.207 0 1 HIAF O=C(O)c1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1857765338 NZCSJOMBGMLDLY-UHFFFAOYSA-N 407.900 4.495 0 1 HIAF COc1ccc(CN2C[C@H](F)[C@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 2356441495 VDHVMTAYSXIYTA-QFBILLFUSA-N 423.410 4.329 0 1 HIAF CCN(C(=O)CN1CCN(c2nc(-c3ccccc3)cs2)CC1)c1ccccc1C 203475017 YQZWXJLFLPNWTE-UHFFFAOYSA-N 420.582 4.294 0 3 HIAF C[C@H]1CCC[C@@H](NC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)[C@@H]1C 6878133 VIAIBWPJSBWXLM-JJRVBVJISA-N 413.905 4.428 0 1 HIAF COc1ccc(CN[C@H]2CO[C@@H](C(c3ccccc3)c3ccccc3)C[C@@H]2O)cc1 13648530 KRIXHIHYAWAVJT-CCDWMCETSA-N 403.522 4.135 0 1 HIAF FC(F)(F)c1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)cc1 13759018 ORVUVFSUEKHWKP-UHFFFAOYSA-N 416.447 4.353 0 1 HIAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)Nc1nccs1 25430195 OHKDPOZTMZRPON-LSDHHAIUSA-N 402.520 4.061 0 1 HIAF biogenic CCC(=O)Nc1cc(C)c(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc1C 26834257 HGJDFEKNMDIQGM-UHFFFAOYSA-N 421.585 4.431 0 1 HIAF O=C(O)[C@H]1Cc2ccccc2C[C@@H]1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 28133219 JBZFTIBOGQVLLX-VXKWHMMOSA-N 408.475 4.121 0 1 HIAF O=C(c1ccc2c(-c3ccc(O[C@@H](CCO)C(=O)O)cc3)nocc1-2)C1CCCC1 28569171 LZNCQRLBXHMKTK-FQEVSTJZSA-N 409.438 4.034 0 1 HIAF CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nc2ccc(Cl)cn12 40378987 KVXKOOFISWGJCJ-UHFFFAOYSA-N 403.885 4.414 0 1 HIAF O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2c(=O)n(C[C@H]3CCCN3)ccc12 43017435 RQARDUASJDPBSH-DEJXGMFUSA-N 419.569 4.299 0 1 HIAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\CCCCCCCCCCCO)C(=O)O1 45365433 BILGEJGOAACGBI-YHSGTQGLSA-N 412.567 4.073 0 1 HIAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1)CC3=O)C[C@@H](C(C)(C)O)O2 59776543 WHZASJDTVMUREZ-PMACEKPBSA-N 424.493 4.387 0 1 HIAF biogenic CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccc(F)cc3)CC2)O1 72141549 SRCFYHFLMLAPBI-QHCPKHFHSA-N 407.489 4.048 0 1 HIAF CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2CCCN1CCCC1=O 82186599 GRMRPNYJBBTUJH-UHFFFAOYSA-N 410.522 4.009 0 1 HIAF CC(C)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCc1ccccn1 82187534 IEZJXFLHOQKXOP-UHFFFAOYSA-N 404.493 4.381 0 1 HIAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@H]21)[C@](O)(COC(C)=O)C3 85957219 OQDCKOUFTOKDOD-CFFOZLOKSA-N 406.563 4.257 0 1 HIAF in-man C[C@@H]1[C@H](OC(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)O[C@@H](C(=O)O)[C@H](C)[C@H]1C 95618915 DGFKLWZCLRDMAF-ZLSPAXIFSA-N 409.910 4.156 0 1 HIAF world CC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@H](CO)N2CC1CCCC1 95667281 TUJDZJZAGUKGRP-LOSJGSFVSA-N 422.544 4.044 0 1 HIAF Cc1noc(C)c1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1 96931973 YPQUWGWZNNMODX-FQEVSTJZSA-N 408.502 4.019 0 1 HIAF COC(=O)CC/C=C/CC[C@@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)/C=C/C1=CCCC1 146864442 ZZVPHCPLTZTOBC-FHGMZTNMSA-N 416.558 4.206 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](F)C[C@]4(C)[C@H]3CC[C@@]21C 169370393 JPOAJVXSZNVFCE-UYDUATFGSA-N 406.586 4.282 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H]3CCCC[C@H]3O)CN(C)[C@@H]1C2 253685668 GSCVQDHIWDOSEW-JWDKOIGTSA-N 410.558 4.029 0 1 HIAF Cc1cc(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C[C@H]2C)cc2c[nH]nc12 473148671 GVBCUWFZVPUNCH-WAIKUNEKSA-N 412.534 4.123 0 1 HIAF N[C@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(Br)cc1 586996677 JEPBMHRJRJRVBG-LLVKDONJSA-N 413.088 4.470 0 1 HIAF Brc1cc2c(cc1/C=C\c1nc3cncc(Br)c3[nH]1)OCO2 586999074 UONMTZWYZICOPD-UPHRSURJSA-N 423.064 4.382 0 1 HIAF Nc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C(F)(F)F)c1 587095859 XZAKGLIXRKJYNH-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF Nc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1N 587165611 GFHFKUMFXCJXNF-UHFFFAOYSA-N 413.460 4.204 0 1 HIAF C[C@]1([C@H]2Cc3ccccc3C(=O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361224 YEJQGKAVJKAQCD-OTNCWRBYSA-N 418.420 4.431 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@@H]1CCCO1)[C@@H](C2)C3=O 587417820 MMRYZZIOGXUOFD-DJPFJPOOSA-N 415.283 4.280 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC(O)CC2)cc1 587582886 OVYKKCZVNCSHNF-RDGATRHJSA-N 417.461 4.056 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(cc2Cl)OCCO3)N1 587695547 KFZHCUSXKQNGAK-PWJLMRLQSA-N 413.674 4.031 0 1 HIAF CCn1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C(F)(F)F 587714929 PYDRWPYDXPTZQT-RMLUDKJBSA-N 406.221 4.447 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccccc3)CC2)N1 587766152 FSLCBPPXOJVZAE-CQSZACIVSA-N 417.322 4.254 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)O)(c3ccccc3)C2)N1 587820332 BCONDNTUXIUDHU-BEVBOREHSA-N 404.279 4.134 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCc1cccnc1 587866308 AHAJXEQRSRQGKP-UHFFFAOYSA-N 406.433 4.285 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(OC(C)C)c1 587867518 HOKIZMIDGJOXMK-UHFFFAOYSA-N 405.376 4.448 0 1 HIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 962955978 AUOIZPUMISFGHO-KDOFPFPSSA-N 424.234 4.350 0 1 HIAF CC(=O)Oc1cccc([C@]2(c3ccccc3Cl)NCCc3nc4ccccn4c32)c1 962988930 YZWZXHTYNKOLNQ-XMMPIXPASA-N 417.896 4.351 0 1 HIAF Cc1ncc(Cc2csc(CCOC(=O)c3c[nH]c4ccccc34)c2C)c(=N)[nH]1 1857772038 OWHFMVMFTFWQTM-UHFFFAOYSA-N 406.511 4.039 0 1 HIAF CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@@H]4C(C)(C)O)O1 2356321080 NDXZXKHTJXCZRB-QFIPXVFZSA-N 422.433 4.260 0 1 HIAF CC(C)C[C@]1(C(=O)NCCc2c[nH]c3ccccc23)C=CCN1C(=O)c1ccccc1 7992730 ZDCKRWIBMKUEAB-SANMLTNESA-N 415.537 4.324 0 3 HIAF Cc1cccc(C)c1NC(=O)[C@@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 95605113 AXFDZHBDJOEPQH-VWLOTQADSA-N 414.505 4.447 0 3 HIAF CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 263591344 XEKUMIDAHMMSES-HSDCLWBESA-N 402.623 4.168 0 3 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 772925 LHWZKQRFLAPOMD-UNMCSNQZSA-N 423.875 4.470 0 1 HIAF COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4041956 LEOQSVHBQMKCBW-UPVQGACJSA-N 423.557 4.121 0 1 HIAF O=[N+]([O-])OCCCCCCNCCCNc1c2c(nc3ccccc13)CCCC2 29135954 KDYGCIXCFTVKNZ-UHFFFAOYSA-N 400.523 4.274 0 1 HIAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)CCCc2ccccc2)[C@H]2CC[C@@H]1C2 29549281 FKOIYBLNYOUXOR-JMKWSNACSA-N 419.587 4.155 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@]2(C)[C@@H]3C(=CC[C@@H]21)C(=O)O[C@H]3O 34010731 ATVQOEWPZTUPDT-QGUQQPFWSA-N 402.575 4.444 0 1 HIAF biogenic,in-vitro CCN(CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(Cl)cc1 35034029 KNNDVGUOYGULAT-HSZRJFAPSA-N 416.949 4.173 0 1 HIAF COc1c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)cc2c1[C@@H](C)NCC2 40846428 IPTFATDHZCSHQR-MRXNPFEDSA-N 417.461 4.340 0 1 HIAF O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ncccn2)CC1 49652333 NUDDJBGYFFNONO-UHFFFAOYSA-N 406.461 4.050 0 1 HIAF CCc1c(CN2CCCc3ccccc32)nc(SCC(=O)c2ccccc2)[nH]c1=O 72176523 GQXIWWOXYPEXER-UHFFFAOYSA-N 419.550 4.260 0 1 HIAF Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)NCCC3=CCCCC3)C(C)C)co2)cc1 82069969 QMJICFUQMUGNOM-NRFANRHFSA-N 409.530 4.411 0 1 HIAF Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2C2CCCC2)cc1C 82191762 LXMBLZMOELUPFO-INIZCTEOSA-N 419.529 4.115 0 1 HIAF CCCCOC(=O)c1cccc(-c2cc(C(=O)Nc3ccncc3)ccc2CN)c1 96286478 RUKUHGXZSDHQDA-UHFFFAOYSA-N 403.482 4.417 0 1 HIAF CSc1nc2ccc(Br)cc2c(=O)n1-c1ccc(F)c(F)c1F 103285980 WHLCUXVUDONVLG-UHFFFAOYSA-N 401.207 4.287 0 1 HIAF Cc1ccc(OCC(C)(C)O)cc1-c1nnc2c(C)nc3ccc(C(C)C)nc3n12 145732128 AGOONQFGNBSTSQ-UHFFFAOYSA-N 405.502 4.229 0 1 HIAF NCC[C@H](NCCC=C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 169348755 XIILOJJCXUOYNX-SANMLTNESA-N 413.565 4.132 0 1 HIAF COC(=O)[C@]1(/C=C/[C@@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@@H]21 169351749 KAZMGBQDEYZMGJ-ATUOFILCSA-N 409.320 4.297 0 1 HIAF CC(=O)c1ccc2c(c1O)[C@H]1c3c(ccc4c(=O)c(C)coc34)OC[C@H]1C(C)(C)O2 299828263 HWJVFZWAMQCUDR-QAPCUYQASA-N 406.434 4.321 0 1 HIAF CC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586961171 PYVSGLUQIODCTP-WTOYTKOKSA-N 423.538 4.460 0 1 HIAF COC(=O)c1ccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2c1OC 586967208 ZOSWSCRAOSQUEC-UHFFFAOYSA-N 422.510 4.453 0 1 HIAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(I)cnc3[nH]2)s1 587013759 BYMRVGZDHNFCJZ-QMMMGPOBSA-N 414.272 4.092 0 1 HIAF N[C@@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(Br)cc1F 587142839 NDZZMSDJNOEDAH-VIFPVBQESA-N 404.070 4.409 0 1 HIAF FC(F)(F)c1ccc(-c2nc3cnc(Cl)[nH]c-3n2)c(I)c1 587178873 NFTBKWVRPLIVBR-UHFFFAOYSA-N 424.551 4.248 0 1 HIAF O=C(O)c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1F 587184419 SIVBKIRBVRVTTO-SNAWJCMRSA-N 408.170 4.175 0 1 HIAF CC[C@H](c1nc2ccc(SC)cc2[nH]1)n1cc(I)c(C)n1 587186046 YYJMIEYKSUNESA-CQSZACIVSA-N 412.300 4.394 0 1 HIAF Cc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1Br 587193817 RXSHLDVKSTWNAU-UHFFFAOYSA-N 416.319 4.153 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cccnc3N(C)C)nc2c(F)c1Nc1ccccc1 587195407 GSRUOSGWCOBXCW-UHFFFAOYSA-N 405.433 4.360 0 1 HIAF C[C@]1([C@H]2Cc3ccccc3C(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361228 YEJQGKAVJKAQCD-TZBSWOFLSA-N 418.420 4.431 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)c4ccccc41)[C@@H](C2)C3=O 587439424 UIURCSMTCRAZPT-XDHUDOTRSA-N 407.466 4.483 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1[nH]c(C(=O)OC)cc1Br)CC2=O 587458269 QWQFRBCJZCBXHJ-IBGZPJMESA-N 422.275 4.103 0 1 HIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCN1C(=O)OCc1ccccc1)CC2=O 587477312 QJPVHFBKQAZRLZ-UGKGYDQZSA-N 409.482 4.480 0 1 HIAF CCCc1c(O)ccc2c1O[C@](Cc1ccncn1)(c1ccc(OC)cc1)CC2=O 587487487 FWJMHBFGDCSIKN-DEOSSOPVSA-N 404.466 4.247 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557045 LGVWJIOIHOFBSJ-RDPSFJRHSA-N 422.408 4.260 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)[C@H](C3)C2 587594264 NRZLJUJGLGLDLQ-LHLZTJTLSA-N 420.461 4.092 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597526 QUEACWFRPGUASR-URXFXBBRSA-N 404.418 4.203 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605860 BFNBRVOSJORHHC-NFBKMPQASA-N 408.406 4.188 0 1 HIAF C[C@]1(c2ccc3nc(N)sc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616976 IFJQGHPYEYLJHR-XMSQKQJNSA-N 404.447 4.461 0 1 HIAF O=C(c1cc(-c2ccccc2)[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662389 ZMKWRAXCDPCLAN-UHFFFAOYSA-N 410.408 4.281 0 1 HIAF COc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587745487 WHDCTSMTNAJDMS-FKIZINRSSA-N 421.310 4.375 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccncc3)CC2)N1 587765432 CDGRJLSPVWFSMP-CQSZACIVSA-N 404.327 4.009 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ncon3)cc2)N1 587790973 DQSKIQFJTAFZQV-WYRIXSBYSA-N 418.266 4.174 0 1 HIAF COC(=O)c1ccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587804551 RNCMBBYVSQORNE-OVWNDWIMSA-N 417.278 4.480 0 1 HIAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O 587807844 OBQMAIQWLMCWRB-APBUJDDRSA-N 408.267 4.146 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(OC(=O)c3ccccc3)C2)N1 587810325 KTUKECWRVCZFIU-GANPYFDVSA-N 404.279 4.337 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccco2)[nH]n1 587863502 LYWQCADZZTWZJF-UHFFFAOYSA-N 402.332 4.249 0 1 HIAF Cc1cc(Br)cn2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)nc12 587873325 ZBKNDQFMONLRGS-UHFFFAOYSA-N 413.206 4.202 0 1 HIAF Clc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCCC4)SC2)cc1Cl 653821025 LPUKIEATFPNEKH-UHFFFAOYSA-N 405.314 4.212 0 1 HIAF C[C@@H](N)C[C@@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949890 DBYGKBUONKYYMM-ZHRRBRCNSA-N 404.476 4.338 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc4cccc(Br)c4n3)c3cccc1c32 963015857 BIPBJYKCFLKLRT-ASSNKEHSSA-N 408.299 4.140 0 1 HIAF CC1=C(c2ccc(F)cc2)[C@@]2(NCCc3c(C(=O)O)cccc32)c2ccc(O)cc2O1 963120378 HCTKBZNWBWVDKX-VWLOTQADSA-N 417.436 4.442 0 1 HIAF C[C@@H]1C[C@H](N)[C@]2(N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccccc21 963186487 UEJLIHWIVPADCE-ATLLPCKBSA-N 424.850 4.036 0 1 HIAF Cc1ccc(C)c([C@]2(c3ccc(C)nc3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963239579 XHRWYFOYIUKTCO-BDYUSTAISA-N 423.516 4.446 0 1 HIAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@H]2c1ccncc1 1772610013 HJFSGSAQKHTGIY-FQEVSTJZSA-N 411.465 4.241 0 1 HIAF FC(F)(F)c1ccccc1COc1cncc(-c2cnn(C3CCNCC3)c2)c1 1857770696 CUBXWMQDHLVNFN-UHFFFAOYSA-N 402.420 4.467 0 1 HIAF COc1ccc(CN2CC[C@H](CC(=O)O)[C@@H](Cc3nc4ccc(C)cc4[nH]3)C2)cc1 2356305966 WXRJBKLJDDXSAQ-MOPGFXCFSA-N 407.514 4.035 0 1 HIAF COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)(C)O)cc3CC[C@@H]12 2356383610 RYTFJNDPQQZRLJ-OPXMRZJTSA-N 416.558 4.421 0 1 HIAF CCC[C@H](CO)C[C@H](O)C[C@H](CCc1ccc(O)c(OC2CCCC2)c1)OC(C)=O 2356651306 IMARHDCXFVQFGB-ONTIZHBOSA-N 422.562 4.128 0 1 HIAF CN(Cc1ccccc1)C(=O)[C@]1(C)CCN1C(=O)Cc1ccc(Cl)cc1Cl 61930421 WWKUVMXLEFZNRE-NRFANRHFSA-N 405.325 4.186 0 3 HIAF CCCCCN1CC(=O)N2[C@@H](c3ccc(C)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 2101638 WOQKADFAKOYWEV-RDGATRHJSA-N 415.537 4.351 0 1 HIAF biogenic CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H](O)[C@H](c1ccc(O)cc1)O2 3871179 KITBJDQJTLGBAY-RPWUZVMVSA-N 424.493 4.498 0 1 HIAF biogenic COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H]1[C@H](OC(C)=O)C(C)(C)O[C@H]1O2 14610771 XMJHOTVIJNLONQ-ACIOBRDBSA-N 422.433 4.011 0 1 HIAF biogenic COc1ccc(-n2cc(CC(=O)N(C)C)c(-c3ccc(Cl)c(Cl)c3)n2)cc1 26579789 WBDCHNKIEMCIBO-UHFFFAOYSA-N 404.297 4.485 0 1 HIAF O=C(O)[C@H]1Cc2ccccc2C[C@H]1S(=O)(=O)c1ccc(CCc2ccccc2)cc1 28137200 SCMUFXMYUJBJMV-BJKOFHAPSA-N 420.530 4.114 0 1 HIAF O=C(O)C[C@@H]1[C@@H](c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)C1(Cl)Cl 28648251 DGHLGBHZIKLZQQ-IEBWSBKVSA-N 421.324 4.423 0 1 HIAF COc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1 34024882 WOCAUAGFAOCBHT-UHFFFAOYSA-N 423.340 4.275 0 1 HIAF CN(C)Cc1cnc2c(CNC(=O)c3ccc(-c4ccc(F)cc4)nc3)cccc2c1 36351688 VKMCZNFXCGAVGY-UHFFFAOYSA-N 414.484 4.428 0 1 HIAF Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc12 40812454 KJGBRJCGHINNNU-FCHUYYIVSA-N 402.542 4.283 0 1 HIAF CC1=CC=C2/C=C/C(C)=C(/C)C[C@H](C)C(=O)[C@@H](C(=O)O)[C@@]3(C)O/C(=C/1O2)C(O)=C3O 96086049 PBKVAXUNUBEUPO-LPIPECMZSA-N 414.454 4.377 0 1 HIAF in-vitro O=C(c1ccccc1-c1cccs1)N1C[C@@H]2[C@@H](C1)CN2c1cnc2ccccc2n1 116826436 HGCUPVSMDWTYJY-HRAATJIYSA-N 412.518 4.319 0 1 HIAF Cc1nc([C@H](NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)C(C)(C)C)no1 146488321 MFZAMONDUNPEBU-HNNXBMFYSA-N 412.412 4.109 0 1 HIAF Cc1cnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c1 586956392 JIWSTFKULDJROW-UHFFFAOYSA-N 424.913 4.338 0 1 HIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(C)c(Br)cnc2[nH]1 586972198 DZGAXNWDBWGENM-HNNXBMFYSA-N 419.348 4.139 0 1 HIAF CC(=O)N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 586983880 AEZJGEKYAJHRPC-LBPRGKRZSA-N 412.209 4.163 0 1 HIAF COc1cncc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587030780 ICONSJALFARQPM-SRMXYGTFSA-N 401.517 4.093 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 587120609 QNYZGFGGVDABNS-UHFFFAOYSA-N 414.107 4.457 0 1 HIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Br)c(O)c3[nH]2)C(F)(F)C1 587133150 YPCYJNJNEOWDEQ-QMMMGPOBSA-N 418.238 4.001 0 1 HIAF Clc1cc(I)cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 587182336 IALRHJFXPQDUHV-UHFFFAOYSA-N 412.614 4.259 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc3ccccc3c12 587590764 AMHICHDZKMXRPX-BWKNWUBXSA-N 409.397 4.355 0 1 HIAF CC(C)N1CCc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2C1 587620324 XZCDLAIKDYBLJV-SIKLNZKXSA-N 422.506 4.318 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cn2)N1 587683590 OCPVQFQULLIAPB-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)(F)C(F)(F)F)N1 587709547 NLZCMHWTZISMRI-FUXBKTLASA-N 418.175 4.494 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587754055 KKHIYWLGHQBQLQ-DJJJIMSYSA-N 415.310 4.409 0 1 HIAF COc1cc(OC)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809630 UONSWICDYJNQKR-PRWKNARSSA-N 424.310 4.412 0 1 HIAF COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)=O 587810019 WDWAOWQCGFQHTL-MLCYQJTMSA-N 408.267 4.146 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587825706 DVTFMMUTAKBDHI-HMLUWHBCSA-N 408.311 4.229 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccnn1C(F)F 587864415 GHJFKUZIFAPXMO-UHFFFAOYSA-N 400.307 4.248 0 1 HIAF Nc1cccnc1C(=O)Nc1ccc(N2C[C@@H](Cc3ccccc3)CC2=O)c(Cl)c1 653849871 GMARWYTUKIGILU-INIZCTEOSA-N 420.900 4.165 0 1 HIAF Nc1ncc(-c2ccc3ncc4nc(O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 653851595 ZCJZIBGUYTURSZ-UHFFFAOYSA-N 422.370 4.337 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@]1(CC(C)(C)C2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730521 NWDGJWLKGATXJA-LHSJRXKWSA-N 421.415 4.148 0 1 HIAF C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962920849 MTLKZAYAHDEHSE-RDPSFJRHSA-N 423.415 4.192 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1cc3cccc(Br)c3o1)NCC2 962928076 GLUDHPKQBYIDQC-OAQYLSRUSA-N 413.315 4.306 0 1 HIAF CCCc1ccc([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963149739 QMVSCMMYXZDVGO-IAGOWNOFSA-N 402.516 4.431 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc(-c3ccc(C(N)=O)cc3)cc(-c3ccco3)n2)cc1 1857565971 WZAHUNSAWZMBDT-UHFFFAOYSA-N 418.474 4.178 0 1 HIAF COc1cnc2c(ncc3nc(O)n(Cc4ccccc4)c32)c1-c1c(C)noc1C 1857587157 JWWFNZBMXWOEAA-UHFFFAOYSA-N 401.426 4.014 0 1 HIAF CC=CC=Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@@]3(C)[C@H]1C2 2356636854 XXHQUPUACYOBLJ-MNVNNWCQSA-N 412.526 4.459 0 1 HIAF C[C@H](NC(=O)OCc1ccccc1)c1nnc([C@H](C)NC(=O)OCc2ccccc2)o1 13479042 KEJNOZGBYXJERT-HOTGVXAUSA-N 424.457 4.044 0 3 HIAF CNc1nc2cnc(Nc3ccccc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 82082102 KFBHQXHBZDQAIP-UHFFFAOYSA-N 405.458 4.232 0 3 HIAF CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(F)cc1Cl 774150 MJOGYESILUYDLX-AWEZNQCLSA-N 418.852 4.310 0 1 HIAF COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(F)cc1Cl 2480981 OJXGLNNPSVKCES-UHFFFAOYSA-N 404.825 4.186 0 1 HIAF C[C@H]([C@@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 2499498 NPSKYYXPZPRNAM-IVZQSRNASA-N 418.472 4.019 0 1 HIAF Cc1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1CCO 13494048 DCVKALMAVBGUEW-UHFFFAOYSA-N 417.296 4.308 0 1 HIAF Cn1cnc2c(NCCN3CCCCC3)nc3sc(-c4ccc(F)cc4)nc3c21 40972552 WQZIUFDFVZZTNJ-UHFFFAOYSA-N 410.522 4.282 0 1 HIAF O=C(c1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 95877487 WMVYRBDHTHBYSW-IEXUWNMDSA-N 402.469 4.483 0 1 HIAF COc1ccc([C@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)c(OC)c1OC 103273638 ZVKOKAOCFGHKQJ-OAQYLSRUSA-N 419.481 4.267 0 1 HIAF COc1cccc(-c2nccnc2C2CN(c3ncc4cc(Cl)ccc4n3)C2)c1 140122072 SRGFWAUQNJRWPR-UHFFFAOYSA-N 403.873 4.353 0 1 HIAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3c(c2)N(CCO)CC3)n1 142721092 UTAAYNFCJPHFFS-JOCHJYFZSA-N 400.526 4.296 0 1 HIAF O=C(Nc1ccc(C2=CCN(C(=O)c3ccoc3)CC2)cc1)N1Cc2ccncc2C1 167001442 YIDJAGRVGWCCTC-UHFFFAOYSA-N 414.465 4.152 0 1 HIAF CCCC/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCC=C(Cl)C1=O 169332079 WDILBNOGSZCXAA-RVDMUPIBSA-N 407.894 4.168 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4ccncc4)n3)c(Cl)cn2)CC1 261081766 BTLKYRQBSPKBGI-QAQDUYKDSA-N 408.937 4.486 0 1 HIAF COc1ccccc1-c1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cnc1OC 261146204 NWUPMNKXXLZOAB-FQEVSTJZSA-N 420.465 4.020 0 1 HIAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C 299876318 FLKLMFOVJUXKRI-VOQZNFBZSA-N 403.567 4.166 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3csc4c3CCOC4)nc2c1 587031650 JWUUKTGIJDXXIG-UHFFFAOYSA-N 407.289 4.303 0 1 HIAF Oc1c(Br)ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587168571 JSWAWNLPCAXIGR-UHFFFAOYSA-N 414.238 4.295 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)ccc(F)c32)[C@@H]1c1ccc(F)cc1 587330868 GBEZRWFJSQDDON-VGOFRKELSA-N 411.335 4.016 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cnn[nH]2)[C@@H]1c1ccc(F)cc1 587332867 KFZRJVAWNJLYLI-FYYLOGMGSA-N 419.387 4.091 0 1 HIAF CCOC(=O)[C@@H](C(C)C)[C@@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439925 DULIDMGFNZPFLR-QNIAMRLHSA-N 408.494 4.259 0 1 HIAF Cn1ccnc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567320 GLLPVYUFCXQDTD-HYBUGGRVSA-N 416.408 4.170 0 1 HIAF O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)n1ncc2ccc(Cl)cc2c1=O 587652670 YGHGVFMQLNVJQS-UHFFFAOYSA-N 420.852 4.399 0 1 HIAF CCN(CC)c1ccc(-c2nn(CCc3ccccn3)c(=O)c3ccccc23)c(O)c1 587665194 OKEWQGQQSLIWPJ-UHFFFAOYSA-N 414.509 4.253 0 1 HIAF COC1=C(Br)[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587686020 VEVPDCLWDCAJOY-VXJOIVPMSA-N 405.105 4.364 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(=O)n(CC(C)C)c(O)n1 587860038 OPONYOIJWUZPLQ-UHFFFAOYSA-N 423.300 4.163 0 1 HIAF Oc1cc(-c2ccccc2)c(O)n1-c1cc(Br)cnc1Br 587941433 VKFQYEVXHFMFDA-UHFFFAOYSA-N 410.065 4.476 0 1 HIAF COc1c(Cl)cccc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962703383 IRXNOYUWVPUACL-CABCVRRESA-N 403.759 4.195 0 1 HIAF COc1cc([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)ccc1SCC(=O)O 963097494 FLQYDJQPSPQCMY-OPAMFIHVSA-N 401.503 4.295 0 1 HIAF CC[C@@H](O)c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(C)cc(C)nc1O)CC2 1772613522 WURAHCIARFZBPX-MRXNPFEDSA-N 409.313 4.353 0 1 HIAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]23C)[C@H](OC)O1 2356336313 LGITXCALUZAZQD-OZYUZJMUSA-N 424.578 4.444 0 1 HIAF C[C@@H]1C=C[C@H](O)C=C(Cl)CCOC(=O)C2=CC[C@@H]3CCC[C@@]4(CCC[C@H]14)N3C2 2356413142 ONRNPNQJAQBNOL-YNIWLMFPSA-N 405.966 4.333 0 1 HIAF NC1=N[C@H](c2cccc(OCc3ccccc3)c2)N(c2cccc(Cl)c2)C(N)=N1 13559319 JQLXDOJOBIARNA-FQEVSTJZSA-N 405.889 4.067 0 1 HIAF CN(C)CCCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 21289295 IQMLUMTUZSQCPT-UHFFFAOYSA-N 415.339 4.285 0 1 HIAF CC(C)NC[C@@H](O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2N(C)C 26495204 QRJWWKRLFSIDAO-YBYLWCFMSA-N 414.634 4.211 0 1 HIAF C[C@@H]1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cc(F)cc21 28528139 AMUFJSCMOPQLMQ-OAHLLOKOSA-N 424.545 4.246 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1ccc(C(N)=O)cc1)[C@@H]2O 29131754 JFPQCWHBBDRMFW-RYZVYYIHSA-N 405.538 4.177 0 1 HIAF Cc1ccc2c(OCC3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1 40937057 HKIASIHBZFIJOE-UHFFFAOYSA-N 417.509 4.165 0 1 HIAF CC1=C(CC/C(C)=C/CC/C(=C\C[C@@H](O)C2=CC(=O)O[C@@H]2O)CO)C(C)(C)CCC1 40943464 KSNNYMFBQQASJN-JYZFNGOFSA-N 418.574 4.491 0 1 HIAF in-vitro COc1cccc2c1O[C@H](CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)CN2C 53262099 MEZAIHGIIAYINU-SFHVURJKSA-N 407.489 4.302 0 1 HIAF CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2cc(Cl)ccc21 73222314 GVDISXKMIUKGIP-UHFFFAOYSA-N 421.888 4.050 0 1 HIAF COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCCC(C)C)c2cc1OC 82130770 IJJIQYOPGJTVGF-HXUWFJFHSA-N 424.545 4.275 0 1 HIAF C[C@]1(CCOS(=O)(=O)O)CC[C@H]2C(=CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]23C)C1 85599957 BDJPFLDQCMCZBX-MSJBJCGKSA-N 400.537 4.230 0 1 HIAF c1coc(-c2ccccc2CN2CCOc3ccc(CN4CCOCC4)cc3C2)c1 96905169 URUAIMYZVDTAEO-UHFFFAOYSA-N 404.510 4.173 0 1 HIAF COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2[C@H]2SC(=O)NC2=O)cc1 96921576 DSASXCJKPZGHQH-IRLDBZIGSA-N 417.490 4.309 0 1 HIAF CCN(CC)C(=O)Cc1c(-c2ccc(OCC[18F])cc2)nc2ccc(Cl)cn12 100077249 KVXKOOFISWGJCJ-VNRZBHCFSA-N 402.888 4.414 0 1 HIAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccc(F)c4)C[C@@H]3C2)n1 116823307 SJLACDBRLFYAGQ-WOJBJXKFSA-N 416.500 4.108 0 1 HIAF C[C@@]1(c2cccc(Nc3nsc4cc(Br)ccc34)c2)COCC(N)=N1 145448287 IRNHZHZGEZSMNC-SFHVURJKSA-N 417.332 4.405 0 1 HIAF COc1cncc(OC)c1[C@H]1CCCC(=O)N1Cc1csc(-c2ccccc2)n1 167093848 YQAXQNBPZCOXOX-QGZVFWFLSA-N 409.511 4.476 0 1 HIAF COc1ccc(CNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cc1 167187389 LUFMRYWQFPLIQL-UHFFFAOYSA-N 401.466 4.173 0 1 HIAF N[C@@H](CCSCc1cccc(-n2ccc3cc(Br)ccc32)c1)C(=O)O 169307507 CWXNJAWEEBLDFX-KRWDZBQOSA-N 419.344 4.428 0 1 HIAF C1=N/CCOCC/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 195422501 YTFNLOFSRQJZAE-CTVDDJEBSA-N 415.493 4.108 0 1 HIAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C5CCC5)c(NC(C)(C)C)nc34)[nH]c21 222221514 MLBSKYGOXRDFII-GFCCVEGCSA-N 405.502 4.131 0 1 HIAF CC(C)N(CC[C@](CCN1CCCC[C@H]1C)(C(N)=O)c1ccccc1F)C(C)C 253632543 HNJSVUQOEWVGOF-YKSBVNFPSA-N 405.602 4.322 0 1 HIAF O=c1c2cc(OCCCN3CCc4ccccc4C3)ccc2nc2n1Cc1ccccc1-2 299833655 VKOZVVGTANTLFS-UHFFFAOYSA-N 423.516 4.252 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc5c(c4[nH]3)CCCC5)CC2)cc1 586955119 UNGLMMIRBLVRPI-UHFFFAOYSA-N 409.555 4.318 0 1 HIAF CN(C)CCOc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587016952 FSSDWXWIFTVASR-UHFFFAOYSA-N 406.511 4.229 0 1 HIAF COc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2n1 587069690 DZQBLPXVSAWFAB-HNNXBMFYSA-N 402.882 4.428 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2cccc(O)c2[nH]1)c1cc(F)ccc1F 587141136 XTLPTSQFJOXNRK-UHFFFAOYSA-N 401.394 4.015 0 1 HIAF Fc1cc(Br)cnc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587154559 AXOLKXBIBXBREI-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF C[C@]1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)C=C(c2ccccc2F)NO1 587155220 INLQLUIOMKBHLF-HSZRJFAPSA-N 401.445 4.325 0 1 HIAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1F 587239687 NGOVCPIVLZFIBD-UZWKXWHHSA-N 419.497 4.266 0 1 HIAF COC(=O)c1cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2c(F)c1Nc1ccccc1 587249638 QBDMZWNWRJJWRF-UHFFFAOYSA-N 420.400 4.180 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)O2 587395772 OKBXZPHNMGNPCV-HJPURHCSSA-N 400.519 4.481 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440412 GURULNBWNCKQCL-NLFFAJNJSA-N 402.446 4.445 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(OC)c(OC)cc3nc1O)CC2=O 587493099 ZSBDBQWYRNXSAF-LJQANCHMSA-N 409.438 4.322 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ncc1F 587568192 GMYPUBWHGWZUKA-APWZRJJASA-N 416.202 4.392 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC(O)CC2)s1 587612715 MRBVLSWXSFQPEF-NZQKXSOJSA-N 423.490 4.118 0 1 HIAF CC(=O)OCc1csc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587613207 MWRDQECDWHTNEX-UGKGYDQZSA-N 410.447 4.394 0 1 HIAF CCCNc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614051 QYSLYKASQADDMQ-VGOFRKELSA-N 410.495 4.856 0 1 HIAF CCCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587793689 KGNUCEAIQIAFSP-GIPWTMENSA-N 403.295 4.271 0 1 HIAF COCCc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587853350 QFKZXECZZRWQOK-MGNBDDOMSA-N 413.356 4.340 0 1 HIAF CCOc1cc(CC(C)=O)c(OCC)n1CC1CCN(Cc2ccc(F)cc2)CC1 587946644 LXDJIUVRMWFCAP-UHFFFAOYSA-N 416.537 4.468 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(CO)N(c3ccc(F)cc3)C=C2OC)N1 962951619 OLCCSRLGUFABCP-CRICUBBOSA-N 419.500 4.311 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(OCCN2CCCCC2)cc1 963269895 MHDLSDHECOVNMT-HSZRJFAPSA-N 400.950 4.448 0 1 HIAF CN1CCc2c(Br)cccc2[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]12 963270713 QXBZFBVHCFFLKO-AUJRIZCKSA-N 407.352 4.019 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C[C@@H](C)C(=O)O)c1ccc(Cl)cc1 963603929 CMINHWJPNAHNGR-QLEMLULZSA-N 403.906 4.246 0 1 HIAF CC(C)COC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(=O)O 1772649478 POCVOXQFEPZZEC-QGZVFWFLSA-N 424.906 4.000 0 1 HIAF COc1cc(F)c(Cl)c2cc(C(=O)N[C@H](C)c3ccc(C(=O)O)cc3)n(C)c12 1857560652 FBOWPSNTGAWTNL-SNVBAGLBSA-N 404.825 4.169 0 1 HIAF Fc1cccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c1F 1857656611 HABRUZUOJOMEMB-UHFFFAOYSA-N 420.345 4.270 0 1 HIAF CC[C@H](O)c1cc(=O)c2c(O)c3c(cc2o1)O[C@@](C)(CC=Cc1ccccc1)[C@@H](O)C3 2356376599 VDUTYPQENGHNNX-WVBBGBOVSA-N 422.477 4.100 0 1 HIAF Cc1c([C@H](C)[C@H](C)O)cc(O)c([C@@H]2O[C@H](C)[C@@H](C)c3c(C)c(O)cc(O)c32)c1O 2356663280 ZYNVVEVIXKFNEJ-DIWYUKLLSA-N 402.487 4.222 0 1 HIAF COc1ccc(-c2noc(C(=O)N3CCC(Cc4ccccc4)CC3)c2[C@@H](C)O)cc1 2356678768 SLMWIRIFBPURNE-QGZVFWFLSA-N 420.509 4.498 0 1 HIAF COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCc1ccc(OC(C)C)cc1 2356762552 DXDWXKHWFDVNBO-UPVQGACJSA-N 416.606 4.146 0 1 HIAF COc1ccc([C@@H]2C[C@](O)(c3ccccc3)Oc3cc(OC)c(OC)c(OC)c32)cc1 13661791 IYDPIEGDRKLHSY-UQBPGWFLSA-N 422.477 4.481 0 3 HIAF Cc1oc(-c2cc(F)ccc2F)nc1CN1CCN(c2ncnc3ccccc23)CC1 55385721 BBONECLXRTUPDS-UHFFFAOYSA-N 421.451 4.194 0 3 HIAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12)N1CCOCC1 768733 JMJKTUVUYMFBCR-GMAHTHKFSA-N 420.896 4.444 0 1 HIAF C[C@@]12CC[C@@H]3c4ccc(OP(=O)(N5CC5)N5CC5)cc4CC[C@@H]3[C@@H]1CCC2=O 1692212 QFASSRYAKVZHGY-FCIYXJNOSA-N 400.459 4.230 0 1 HIAF Cc1ccc2c(C)nc(N3CCC(C(=O)N[C@H](C)Cc4cccs4)CC3)nc2c1 12212634 XADDKNIMHJSMIO-MRXNPFEDSA-N 408.571 4.272 0 1 HIAF CN(C(=O)Cc1cccc2ccccc12)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 13860896 FOQROCUUQJEYDF-GNKBHMEESA-N 406.570 4.407 0 1 HIAF CCCCNC(=O)C[C@]1(C)[C@@H](OC(C)=O)CC[C@@H]1[C@@H]1CCc2cc(OC)ccc2C1 28364899 GCRKAIRLYFHXKY-SRTADBNSSA-N 415.574 4.455 0 1 HIAF C[C@@H]([C@@H](O)c1ccc(O)c(C(C)(C)C)c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952046 YFUQTKXRMIUUCZ-KSFYIVLOSA-N 401.522 4.234 0 1 HIAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2ccc(C)c(C)c2)CC1 29417106 IQYOMCJVZYAYLU-UHFFFAOYSA-N 401.938 4.398 0 1 HIAF COc1ccccc1CNC(=O)c1sc2nc(C)nc(N3CCC(C)CC3)c2c1C 34138917 QTXNZALJFNDIQU-UHFFFAOYSA-N 424.570 4.483 0 1 HIAF O=C([C@@H]1CCCCN1)N1C[C@@H](c2ccccc2)c2ccccc2[C@H]1CN1CCCCC1 45299536 DEJHKAVMUZLZED-KKUQBAQOSA-N 417.597 4.330 0 1 HIAF Cc1cc(C)c(N2CCCn3c2nc(C(F)(F)F)c3CN2CCOCC2)c(C)c1 49050836 NNEWWUORCZNVGV-UHFFFAOYSA-N 408.468 4.201 0 1 HIAF COc1ccc([C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1OC 71341184 WPAYLHNASRTRAX-QHCPKHFHSA-N 409.869 4.140 0 1 HIAF O=S(=O)(Oc1ccccc1/C=C/C=C1\SC(=S)N=C1O)c1ccccc1 96906488 RAMDMNFRIGUUHO-OEPLLAQKSA-N 403.506 4.340 0 1 HIAF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CNc1nc2ccccc2s1 103173798 WJIFYJKGKWRAKZ-UHFFFAOYSA-N 414.490 4.161 0 1 HIAF CCN(CC)c1ccc(-c2nnc(NC(=O)c3c(OC)cccc3OC)s2)cc1 103177861 KSEUQLIZGSEFBS-UHFFFAOYSA-N 412.515 4.321 0 1 HIAF C[C@]1(c2cc(N[C@@H]3CCc4cc(Cl)cnc43)ccc2F)N=C(N)COCC1(F)F 169702885 MRMHPBKPLSGSSO-VQIMIIECSA-N 424.854 4.211 0 1 HIAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3Cc4ccccc43)c2)CC1 210614110 HOJMSFIVJBPRFX-QHCPKHFHSA-N 419.569 4.092 0 1 HIAF Cn1ccc2ccc(-c3cccc(OC[C@H](O)CN4CCc5ccccc5C4)c3)nc21 218394366 LCAFUBIHLJBTGT-HSZRJFAPSA-N 413.521 4.038 0 1 HIAF COc1ccc(CCC(=O)C[C@H]2CCC[C@@H](CC(=O)CCc3ccc(O)cc3)N2)cc1 238758904 JGDGIEYGWBIOHI-FCHUYYIVSA-N 423.553 4.395 0 1 HIAF CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccn3C)c(Cl)c2)cc1 473089950 UABJQNSKENXCGH-UHFFFAOYSA-N 416.930 4.320 0 1 HIAF O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc(Br)ccc1-n1cccc1 503986708 ZIAYCBLPFJWYFS-LPHOPBHVSA-N 416.363 4.234 0 1 HIAF biogenic CCCCc1cc(=O)oc2cc(OCc3nc4cc(C(=O)O)c(F)cc4[nH]3)ccc12 586918888 SCEFPAPVVDURSN-UHFFFAOYSA-N 410.401 4.428 0 1 HIAF N[C@H](N=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587018097 UFCVMBSYFQQJML-GOSISDBHSA-N 401.455 4.702 0 1 HIAF FC(F)(F)Oc1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118919 SRVKHVHECPFIMI-UHFFFAOYSA-N 417.269 4.380 0 1 HIAF COC(=O)[C@]1(c2c[nH]c3ccc(OC)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 587525720 PCYCCDXJCTUIFD-XMMPIXPASA-N 405.450 4.089 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(Oc4ccccc4C(=O)[C@H]1C(=O)c1ccco1)[C@H](C3)C2 587594266 NRZLJUJGLGLDLQ-WPYJEQCKSA-N 420.461 4.092 0 1 HIAF COc1cccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)Cl)c1 587649267 OOAQPKMQQSFRPK-UHFFFAOYSA-N 413.829 4.261 0 1 HIAF COC(=O)CC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587732423 NDESBXBYFAFCOF-FKIZINRSSA-N 424.285 4.458 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](N=O)C(=O)Nc2ccccc2)N1 587744825 TXFIFAFCSNKJQF-RDBACFOTSA-N 420.282 4.111 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2cccnc2)N1 587756486 RPPLIGIQFHSSCX-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF CCCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587765659 CZULSJTVJXAORH-YUNKPMOVSA-N 403.295 4.123 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)N3CCc4cccc2c43)N1 587792533 ORBWFFPVBKAECD-QKVFXAPYSA-N 415.306 4.049 0 1 HIAF Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccco3)c2O)cn1 587936926 ZIQXOBRUYUWCOG-UHFFFAOYSA-N 400.232 4.312 0 1 HIAF O[C@H]1C[C@H]2C[C@@]3(C[C@H]1N2Cc1ccccc1)c1ccsc1CCN3Cc1ccco1 962709097 MQQIUQWXSJMSRT-PJGWKRMOSA-N 420.578 4.393 0 1 HIAF C[C@@H](Oc1ccc(Oc2ccc(F)cc2)cc1)C(=O)Cn1nnc(-c2ccccc2)n1 1857595280 BJRSWSMLWOGTOZ-MRXNPFEDSA-N 418.428 4.308 0 1 HIAF O=C(NCc1ccccc1)[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 95567580 NNBBKJXCLHUFBF-DEOSSOPVSA-N 421.491 4.145 0 3 HIAF OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccccn2)CC1 164581504 GRDCXVYQCIHVKB-UHFFFAOYSA-N 402.538 4.499 0 3 HIAF O=C(c1ccc(Cl)cc1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1 13488309 LFTBPJZZBDUQEW-UHFFFAOYSA-N 410.945 4.323 0 1 HIAF CCc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26577677 DUSFGIDEUSUPMA-FQEVSTJZSA-N 422.506 4.420 0 1 HIAF COC(=O)N1C=CC([C@@H]2C(C(=O)OC(C)C)=C(C)N=C(C)/C2=C(/O)OC(C)C)=CC1 27716831 MVIUFYBRWJCQBC-ZMESVYRVSA-N 418.490 4.019 0 1 HIAF CN(C)C(=O)c1cc(OCC[C@H]2CCCN2C)ccc1OCc1ccccc1Cl 28703648 OIUKHOKFISNBRK-GOSISDBHSA-N 416.949 4.484 0 1 HIAF Nc1ccc(C[C@@H](C(=O)O)c2cn(Cc3csc4ccc(Cl)cc34)cn2)cn1 34630179 OUEPOKZKQATUTC-MRXNPFEDSA-N 412.902 4.188 0 1 HIAF Clc1ccccc1N1CCN(CCc2cc(Br)c3nc[nH]c3c2)CC1 40424010 AYZUYABVTNTHBQ-UHFFFAOYSA-N 419.754 4.344 0 1 HIAF CC(C)(C)OC(=O)N1CCN(c2nccc(NCc3cccc4ccccc34)n2)CC1 72123403 BJXFHKHIABEKFL-UHFFFAOYSA-N 419.529 4.299 0 1 HIAF CC(C)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCCN1CCCC1=O 82188718 NIHVDEYJLJAOAM-SFHVURJKSA-N 420.561 4.178 0 1 HIAF CC(=O)N1C[C@H]2C[C@@H]1CN2Cc1cc2cc(Oc3nc4ncccc4s3)ccc2o1 95598234 OEYRSZKDMZCBAE-HZPDHXFCSA-N 420.494 4.035 0 1 HIAF CNCc1ccc(-c2ccc3c(c2)[C@H](NC(=O)OC(C)C)C[C@H](C)N3C(C)=O)cc1 169324321 PXCIUCWFKRTXSJ-KSFYIVLOSA-N 409.530 4.394 0 1 HIAF in-vitro CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)[C@H](C)F)cc3)C2)ccn1 261129274 KTXAIHNWJXPDOK-FIKGOQFSSA-N 415.509 4.062 0 1 HIAF O=S(=O)(N[C@@H]1CCC2(OC1)c1ccccc1CCc1ccccc12)c1ccccc1 473135580 JRACUDIHSSXIGH-OAQYLSRUSA-N 419.546 4.186 0 1 HIAF COc1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cc1Cl 586969101 GMEJXOIFFJPJJV-UHFFFAOYSA-N 416.846 4.296 0 1 HIAF CCOc1cc(/C=C\c2nc3cnc(Cl)[nH]c-3n2)cc(Br)c1OC 586978471 UEEAINUIQIVWMB-PLNGDYQASA-N 409.671 4.298 0 1 HIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(S)nc(S)nc2[nH]1 586981211 MHLHFSSMOZXYMT-UHFFFAOYSA-N 418.345 4.459 0 1 HIAF O=C(Nc1ccc(-c2nc3c(O)nccc3[nH]2)cc1)c1ccc(Br)cc1 586984051 NASBPQVRFIPYIG-UHFFFAOYSA-N 409.243 4.345 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Br)c(F)c3[nH]2)C(F)(F)C1 587132801 VIQNRZMTCQDWOF-MRVPVSSYSA-N 420.229 4.434 0 1 HIAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)ccc2F)cc1 587139508 MREKVZRBOJWCDU-UHFFFAOYSA-N 410.426 4.485 0 1 HIAF COc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1OC 587184366 RJMLLCWQHJCBSO-SREVYHEPSA-N 406.223 4.355 0 1 HIAF CC[C@@H](c1nc2ccc(OC(C)C)cc2[nH]1)n1cc(I)c(C)n1 587184627 JZLVZMWXJQQNLP-INIZCTEOSA-N 424.286 4.459 0 1 HIAF CS(=O)(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587209947 YGBICKMTTDGUGK-UHFFFAOYSA-N 400.459 4.485 0 1 HIAF CCO/C=C(/C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351439 UTRFTHWEORTUCH-YAGIYHLGSA-N 414.429 4.132 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(O[C@H](C)C(=O)O)c(Cl)c1)O2 587374933 KNSHHNJNTWXNII-ABKXIKBNSA-N 410.253 4.442 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccc(Br)s1)O2 587409785 JNWFSYDJBVUNAY-MJRGOJFPSA-N 407.333 4.337 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(Cn3cccn3)c1)CC2=O 587474528 FVFUBKAPVJWCIX-XMMPIXPASA-N 406.482 4.479 0 1 HIAF O=C(CNc1ccc(F)cc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657916 DMBNILBPFFJBRQ-UHFFFAOYSA-N 409.367 4.233 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(c2nccn2C)N1 587727248 NCSUCYZWLBSZLQ-FKIZINRSSA-N 418.285 4.287 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)CC(C)(C)C)CC2)N1 587765394 BUJDNDHPSIDJPG-ZDUSSCGKSA-N 411.359 4.376 0 1 HIAF Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccn1 587766724 WSQGKKGSIUGEDE-MPBGBICISA-N 415.310 4.275 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCC(=O)N3C)N1 587774551 OJBAETXMXVCLPH-GTJPDFRWSA-N 417.322 4.295 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2n(C)c1=O 587859981 NYHCDAVHTCQICD-UHFFFAOYSA-N 415.280 4.492 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccccc1F 587868630 QGLZXINNGNZPNR-NSHDSACASA-N 409.339 4.219 0 1 HIAF CO[C@@H](C)COC1CCC(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 587951230 GFIKKUCUGMBPBW-WHXUTIOJSA-N 402.720 4.452 0 1 HIAF CC(C)(C)OC(=O)N(C[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21)C(C)(C)C 962760478 FEVUJNZJPVKYNC-JKSUJKDBSA-N 414.468 4.409 0 1 HIAF CC1CCC([C@@]2(CCC(=O)O)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CC1 962982297 WXSBTNMAERRXCO-CLLROERYSA-N 415.864 4.104 0 1 HIAF COc1ccc2c(c1)O[C@H](c1ccccc1)C[C@]21NCCc2c(C(=O)O)cccc21 963128066 ZOLJSXFHMNZSSR-UKILVPOCSA-N 401.462 4.307 0 1 HIAF COc1ccc2c(c1)[C@@H](c1ccccc1OCCO)N(Cc1ccc(F)cc1)CC2 963305254 WHDORKLOCWWSKS-RUZDIDTESA-N 407.485 4.353 0 1 HIAF COC(=O)C=C(CC[C@@H]1[C@H](C(=O)OC)C=C[C@@H]2C(C)(C)CCC[C@]12C)COC(C)=O 2356494092 RMNXDJMOHAWPAV-DBYOASNMSA-N 420.546 4.237 0 1 HIAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@]3(Br)C(=O)C[C@]12C 4655296 NWFOHSCPTMLQIH-QWLXMNPYSA-N 407.348 4.420 0 3 HIAF COc1cc(Cl)c(CN2CCC(CO)(CCOc3ccccc3)CC2)cc1OC 12586416 VHZBFOWZTRCNFA-UHFFFAOYSA-N 419.949 4.401 0 3 HIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cccc[n+]3[O-])cc2)c1C 838998 AITOTEQUPDSIJB-UHFFFAOYSA-N 421.478 4.060 0 1 HIAF CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1)c1ccccc1 4036605 ISGDZMLOQTTWDE-GGAORHGYSA-N 419.550 4.483 0 1 HIAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NC1CCCCC1 6137849 LQGYZOLHFCESFG-ROUUACIJSA-N 401.551 4.414 0 1 HIAF biogenic O=C1NC[C@@H](c2c[nH]c3cc(Br)ccc23)N=C1c1c[nH]c2ccccc12 15266931 FGNFMNKARKPBGP-SFHVURJKSA-N 407.271 4.072 0 1 HIAF biogenic Cc1ccc(C2=C[C@@H](c3ccc(Br)cc3)N(C(=O)CCC(=O)O)N2)cc1 33706992 FLQWXZCJRYEHOZ-SFHVURJKSA-N 415.287 4.051 0 1 HIAF Fc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 40914690 NFGDAKKMMGHJNO-FGZHOGPDSA-N 416.880 4.499 0 1 HIAF CC[C@H](C)C(=O)O[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 44021317 PCZOHLXUXFIOCF-RGSKAURGSA-N 404.547 4.196 0 1 HIAF CN1CCC[C@H]1CCNCc1cccc(-c2cnc(N3CCCC(C)(C)C3)nc2)c1 45324632 OJVSBORFHPZHLS-QHCPKHFHSA-N 407.606 4.344 0 1 HIAF O=C1C[C@@H](c2ccc(O)cc2)c2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O1 59774083 LEHQNGMIHPACJG-KRWDZBQOSA-N 404.418 4.060 0 1 HIAF biogenic CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCO[C@@H](C)C5)C[C@]4(C)[C@H]3CC[C@]12C 72135737 KGJWHJYOHYZZIH-CGIIVHBOSA-N 417.634 4.294 0 1 HIAF O=C(C1CCCCC1)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72185496 KPCRYYCLGPRUIG-OAQYLSRUSA-N 416.928 4.083 0 1 HIAF COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178601 AZZHLGQJMRZVMR-SFHVURJKSA-N 401.514 4.431 0 1 HIAF Cc1n[nH]c(C)c1Cc1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 98208399 BSFSQCSQIOYTCL-UHFFFAOYSA-N 409.515 4.013 0 1 HIAF in-vitro Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 103186342 IEYUTPJKKANHGL-UHFFFAOYSA-N 417.791 4.129 0 1 HIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](F)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118919942 ZQZFTIODRGJPCF-FEQOZVJYSA-N 410.570 4.426 0 1 HIAF COc1cc2c(cc1O)oc(=O)c1c2c(Cl)c2c3cc(OC)c(O)cc3ccn21 138047548 LJNIFIDYHJFQBM-UHFFFAOYSA-N 411.797 4.434 0 1 HIAF Cc1cc([C@@H](N)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144359952 JTMLSGGBBKYZLY-SIXWZSSISA-N 418.394 4.464 0 1 HIAF Cc1nc2cccnc2n2c(-c3cc(O[C@@H](C)C4CCOCC4)ccc3Cl)nnc12 145717725 VWFNAIFRRIYIIT-AWEZNQCLSA-N 423.904 4.495 0 1 HIAF CCCOc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167025077 FVAUPHMAXSQKQO-UHFFFAOYSA-N 417.509 4.281 0 1 HIAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C1(O)CCCCC1)/C=C/C=C/3CO 169297105 AHYOUXMXCQWDCX-FJPSXJAUSA-N 408.538 4.400 0 1 HIAF O=C(N[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1)c1ccccc1Br 169322520 IYAVAIHWKWEEKA-VLIAUNLRSA-N 424.342 4.422 0 1 HIAF Cc1nn(C2CCC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220301562 RLAHXCWDADVADO-FQEVSTJZSA-N 422.916 4.327 0 1 HIAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1 586895437 HALAPLBTVNWRCY-UHFFFAOYSA-N 413.886 4.176 0 1 HIAF NC(=O)c1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1 587022043 UTWACLYSBGTGJW-UHFFFAOYSA-N 412.478 4.591 0 1 HIAF CN(C)CCOc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116441 XHXCHXUPELFHJG-UHFFFAOYSA-N 401.392 4.132 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(Cc3cccc(C(F)(F)F)c3)nn1)O2 587380481 FHYWYEFBEWHBKK-FQEVSTJZSA-N 416.403 4.116 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1CCCCN1 587590816 AWZCKCILIPQPQE-OTNCWRBYSA-N 401.462 4.391 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)nc1 587594067 KTGXTUZDLFPWQN-XUZZJYLKSA-N 402.450 4.480 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(C(F)F)N1 587714731 ALUUAXGJNKIUBG-XLFHBGCDSA-N 402.210 4.449 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]ccc2=NC(=O)C(C)(C)C)N1 587739564 AXDAGMALYNOSFG-BBATYDOGSA-N 420.326 4.013 0 1 HIAF CCOCCCN1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C1 587759183 FCMYNFFKFQMQHK-SIFCLUCFSA-N 413.375 4.086 0 1 HIAF O=C(Cc1nc2c(Br)ccc(Br)c2[nH]1)OCc1ccccc1 587780970 AOWOGEPLSGXQPK-UHFFFAOYSA-N 424.092 4.374 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCC(=O)O)c2)N1 587790325 FXFANLRDJDRDAV-ODXCJYRJSA-N 422.294 4.455 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2cc3c(cc2s1)OCO3 587869228 DHKPSBNOYJSLIZ-UHFFFAOYSA-N 420.372 4.300 0 1 HIAF C[C@H](CC(=O)O)C[C@@]1(c2cccc3ccccc23)N[C@H](C(=O)O)Cc2cccc(F)c21 962915366 VLAJJXAOIJIVBO-WJGUHTKASA-N 421.468 4.322 0 1 HIAF COc1cc(C(=O)O)ccc1-c1cncc(-n2ncc3ccc(NC(C)C)cc32)n1 1857642082 RVBGRABSPJIVJG-UHFFFAOYSA-N 403.442 4.010 0 1 HIAF O=C1CN(Cc2ccc(F)cc2)C(=S)N1c1ccc(N2CCCC2)c(Cl)c1 1857753390 QWJIIWJGZKDUPF-UHFFFAOYSA-N 403.910 4.213 0 1 HIAF COc1cc([C@@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc(O)c1OC 2356417217 VDZKDMJORWVROZ-MWRFHTASSA-N 402.443 4.232 0 1 HIAF CCn1ccnc1CN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 12201702 OFSBQYNGSFNQFD-OAQYLSRUSA-N 405.502 4.084 0 3 HIAF C[C@]1(Oc2ccc(-n3ccnc3)cc2)CCN(Cc2cccn2-c2nccs2)C1 61906055 ZLXDLCSJRRKPQX-QFIPXVFZSA-N 405.527 4.163 0 3 HIAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2ccccc2C(F)(F)F)C1=O 200051237 VLSICDLKKIFHKW-IBGZPJMESA-N 404.432 4.325 0 3 HIAF COc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1OC1Cc2ccccc2C1 600592 SMWGOZGGMUJHKG-UHFFFAOYSA-N 400.434 4.483 0 1 HIAF CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 13466446 QIZIQMNNPOJZNE-ABFRBSLYSA-N 411.479 4.053 0 1 HIAF Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCS3 13488012 GXSDXKGIICWKIF-TZIWHRDSSA-N 407.583 4.406 0 1 HIAF CC1(C)Cc2cccc3c2N1C(=O)[C@H](N1CCN(Cc2ccc(Cl)cc2)CC1)CC3 22454042 INLLPBCEAMPLDT-JOCHJYFZSA-N 423.988 4.140 0 1 HIAF COC(=O)N1C=CC=C([C@H]2C(C(=O)OC(C)C)=C(C)N=C(C)/C2=C(/O)OC(C)C)C1 27719217 DBNWOXVVSYCKCE-WENBPLFZSA-N 418.490 4.019 0 1 HIAF C[C@@H](Oc1cc(-c2cnn(C3CNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 35848991 NUGLKXMTNVCMMF-SNVBAGLBSA-N 422.291 4.258 0 1 HIAF COc1ccc(CCN2CCC([C@@H](O)c3cccc(OCCF)c3OC)CC2)cc1 40950369 YTQJBBJHLKKOLR-HSZRJFAPSA-N 417.521 4.040 0 1 HIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(C(F)(F)F)c1 62224607 KEGRARLDUKAFTF-KRWDZBQOSA-N 411.420 4.455 0 1 HIAF FC(F)(F)c1ccc([C@@H](NC2CCN(c3ncccn3)CC2)c2cscn2)cc1 72103326 BYOSKNGHDNLBHH-GOSISDBHSA-N 419.476 4.300 0 1 HIAF CCn1cc(-c2nnc3sc(-c4ccccc4Cl)nn23)c(=O)c2ccc(C)nc21 72178608 UOGMMGGYJXWNCY-UHFFFAOYSA-N 422.901 4.211 0 1 HIAF CC(=O)NC1C[C@@H]2CC[C@H](C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1 95562098 KVRXDZGSMIJSDR-YQQQUEKLSA-N 422.554 4.158 0 1 HIAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4F)CCCCN3[C@H]2CO)cc1 95873543 RDEQLRCOXKGDQP-DAMXSAMMSA-N 423.532 4.315 0 1 HIAF CC1(C)CCN(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3cccc(F)c3)c21 101668393 XTLVGBFNINDOSV-MXDSDUJGSA-N 423.532 4.075 0 1 HIAF Fc1ccc(Nc2nc(NCc3ccncn3)nc(Nc3ccc(F)cc3)n2)cc1 115739733 ATUMXVMZTWWOIR-UHFFFAOYSA-N 406.400 4.039 0 1 HIAF O=S(=O)(Cc1nc(-c2ccc(O)nc2)c2sccc2n1)c1cccc(Cl)c1 299838960 ROEFNJJQLWEUJP-UHFFFAOYSA-N 417.899 4.086 0 1 HIAF CC(=O)Nc1cccc(/C=C(/C(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)c1 473089919 MWKWKOGMYMXWOO-RCCKNPSSSA-N 411.461 4.171 0 1 HIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Br)nc3[nH]2)cs1 587019778 WFPHJGJAFPXUQK-UHFFFAOYSA-N 410.297 4.115 0 1 HIAF Cc1nc2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2cc1Br 587030138 ZEBQZNOJSCYXSP-UHFFFAOYSA-N 416.304 4.179 0 1 HIAF FC(F)(F)COc1cc(-c2nc3cccc(I)c3[nH]2)ccn1 587091735 OKRTWWQEHFIGMM-UHFFFAOYSA-N 419.144 4.171 0 1 HIAF Fc1cc(Br)cnc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587155388 KURMYEZBXAXHPZ-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF COc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1OCC(=O)NC(C)C 587219513 CKWXZFNCYLTSRW-UHFFFAOYSA-N 408.285 4.449 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc4cc(N)ccc4o3)nc2c1 587251984 PTVIJEWJSZRKRQ-UHFFFAOYSA-N 400.232 4.498 0 1 HIAF CCOc1cc(OCC)cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587276015 JIUOCCBJCBUNIZ-UHFFFAOYSA-N 420.259 4.111 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O 587442501 YIABZMGGEGPXBS-FNZWTVRRSA-N 411.457 4.271 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4nnsc4Cl)cc1)[C@@H](C2)C3=O 587451769 KLOCGFFVSXPPIA-IFXJQAMLSA-N 414.870 4.268 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC(=O)c3cnn(C)c3)cc1)CC2=O 587474137 BUWLEBBIJLQSON-XMMPIXPASA-N 420.465 4.178 0 1 HIAF CCCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587597427 VEGOQSVAHOCEPK-BWKNWUBXSA-N 415.445 4.396 0 1 HIAF C[C@@H](CN1CCCCCC1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660665 IWBZCLKFKRINHT-KRWDZBQOSA-N 407.489 4.355 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Br)N1 587678457 CMPKBJHSHSOSKB-RMLUDKJBSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cn2)N1 587679434 FFZXPKYBHKNLFF-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF CCOC(=O)C(Cl)(Cl)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587682612 MTEBKNZJZNVSBC-RTHLEPHNSA-N 413.114 4.075 0 1 HIAF CCCOc1ccccc1[C@]1(CN)N[C@@H](C)Cc2ccc(F)c(Br)c21 587750132 RRHMBAYTRQFNNZ-RBZFPXEDSA-N 407.327 4.114 0 1 HIAF CC(=O)N1CCc2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587766011 LZHUHGFVJRKOEE-XUSGNXJCSA-N 417.322 4.295 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c(O)nc2-c2ccccc2)N1 587792540 OSUZJBLCJLQNOW-DYZYQPBXSA-N 402.267 4.308 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O[C@H](C)C(=O)O)c2)N1 587798422 ZZQPKOSCCDKZFI-PJYBLOJUSA-N 408.267 4.064 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)OCc2ccccc2)N1 587803890 YEQYADGYQSPVOW-ZUOKHONESA-N 406.295 4.471 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccc(O)cc3oc2=O)N1 587843949 VCOWTVOQAICGEG-SBKAZYGRSA-N 418.262 4.198 0 1 HIAF Cn1c(=O)c(Oc2c(Cl)cccc2Cl)cc2cnc(NC3CCOCC3)nc21 653790497 RBGTYQNUIHMBKM-UHFFFAOYSA-N 421.284 4.019 0 1 HIAF COc1ccc(CCC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)cc1 653825852 FRQMSAPEBQNXSC-NRFANRHFSA-N 408.450 4.060 0 1 HIAF CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)C4CC4)n[nH]3)cc2)no1 653836219 KHFZBZKIEYHQSB-UHFFFAOYSA-N 408.462 4.355 0 1 HIAF CCOC(=O)C[C@@]1(CC(F)(F)F)c2ccsc2CCN1Cc1cccn1C 962400212 SZGOIRYTTKDSDR-GOSISDBHSA-N 400.466 4.246 0 1 HIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)CC3CCCC3)c2cn1)c1ccccc1 1772633914 NRSDPVROEQUOME-CQSZACIVSA-N 406.490 4.359 0 1 HIAF COc1ccc(OC)c(CCN=c2[nH]c3cnc(-c4ccc(Cl)cc4)cc3n2C)c1 1857604112 AEGAMAISRCOECH-UHFFFAOYSA-N 422.916 4.382 0 1 HIAF CC1=C[C@H](CNCCN(C)C)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356853281 RFGJVZXPVHSSKA-QKNQBKEWSA-N 414.569 4.424 0 1 HIAF Cc1ccc(OCCN2CC[C@@]2(C)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 61928717 AQDSLXPXXQNCOE-NRFANRHFSA-N 406.448 4.173 0 3 HIAF COc1ccc(OC)c(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)c1 72139351 RCMUZFAIZZOMFD-UHFFFAOYSA-N 405.376 4.043 0 3 HIAF O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 203474654 FNNYXENEABSBFN-GFCCVEGCSA-N 422.341 4.491 0 3 HIAF CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C)CCc1ccccc1 604969 MGFLZPRLUQZKEQ-UHFFFAOYSA-N 417.575 4.474 0 1 HIAF COc1cc2[nH]c(-c3ccc4c(c3)[C@@H](N(C)C)CC4)cc(=O)c2cc1-c1cnco1 1491932 YCVNIYVQUIRAJP-NRFANRHFSA-N 401.466 4.408 0 1 HIAF CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCC(C(=O)O)CC1)CC2 4222618 IPFUINKNWRNDQA-QFBILLFUSA-N 401.547 4.156 0 1 HIAF biogenic CC(C)OCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 4909877 WDSXYPVEAVGVNP-GOTSBHOMSA-N 419.525 4.010 0 1 HIAF CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1cnccc1C(=O)O 13832873 QEKDOMISZBUQIP-UHFFFAOYSA-N 414.469 4.044 0 1 HIAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cc4ccccc4s3)ccc2=O)CC1 25225191 PDEJOTMMAUQRTR-MJGOQNOKSA-N 419.594 4.243 0 1 HIAF biogenic COc1ccc([C@@H]2[C@H]([S@](=O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 27848257 XWUQQQBMFUKYLG-AFKLWXAFSA-N 405.519 4.143 0 1 HIAF COc1ccc(Sc2ccc(Cl)cc2N2CCN(CC(=O)O)[C@@H](C)C2)cc1 28359635 RXLKHTMQOSDEFY-AWEZNQCLSA-N 406.935 4.095 0 1 HIAF O=C(Nc1cnc(-c2ccccc2)cn1)N1CCC2(CC1)OCCc1ccccc12 40954351 TUMSRTFIRFTRCG-UHFFFAOYSA-N 400.482 4.240 0 1 HIAF CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)c3ccco3)cc2)nc1 45189906 VEHOMLNBUSRBGS-UHFFFAOYSA-N 407.514 4.130 0 1 HIAF Cc1ccccc1CN1CCC2(CC1)CN(C(=O)c1csc(C(C)C)n1)CCO2 64549460 BWSIBMJVLHAOKJ-UHFFFAOYSA-N 413.587 4.082 0 1 HIAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1-c1coc(C)c(O)c1=O 95486325 LZISGOICAGDBIU-UHFFFAOYSA-N 406.390 4.111 0 1 HIAF biogenic,in-vitro c1ccc(-c2cc(CN3[C@@H]4CNC[C@H]3[C@H]4c3ccc(-c4ccncc4)cc3)no2)cc1 100101292 ZLAOMZDUWSYCKK-OCYIUTNCSA-N 408.505 4.343 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cc(OCC4CC4)ncc3C)C2)cc1 169709202 VIPGEIVAIVWAHO-JTSKRJEESA-N 409.530 4.034 0 1 HIAF CCCNc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1Cl 169709371 RKZQHZRSXBEDDE-HNAYVOBHSA-N 416.953 4.412 0 1 HIAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@H](C)CN(C)C 299885377 VJXQRQLJWUWQOV-ZPMCFJSWSA-N 403.567 4.166 0 1 HIAF CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)C1 504643261 NBZXMBPRBWXSSQ-NUCSYPAWSA-N 401.591 4.414 0 1 HIAF biogenic Nc1cc(C(=O)O)ccc1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587249825 NRIRYCMGACRQCI-UHFFFAOYSA-N 403.282 4.472 0 1 HIAF CCOc1ccc([C@]2(CN)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587335107 KQUMQVAYOVHXAL-VWNXMTODSA-N 407.441 4.143 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)c(F)cc32)[C@H]1c1ccc(F)cc1 587340884 ZKYWQHYKGVXSLW-SIKLNZKXSA-N 411.335 4.016 0 1 HIAF COC(=O)c1cccc(-c2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2O)c1 587444724 UBUWURUIGGBLEE-DVECYGJZSA-N 416.429 4.343 0 1 HIAF O=C1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 587495146 BWRJUJYWJOYMQC-NRFANRHFSA-N 413.267 4.498 0 1 HIAF C[C@@]1(c2ncccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539053 HGMHNASKPAAIPT-OXQOHEQNSA-N 412.239 4.427 0 1 HIAF COC1=C(Br)[C@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587542551 HLMNIOXSHHYYIZ-HNAYVOBHSA-N 403.228 4.139 0 1 HIAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cccc(C(F)(F)F)c1 587637045 AYBXFPZKBYLQJB-UHFFFAOYSA-N 405.328 4.293 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nnc(C(F)(F)F)s1 587656376 YNNJASNLYSRDOY-UHFFFAOYSA-N 410.327 4.201 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(Br)c2)N1 587682307 LFRNYIVGILZSPS-ANRSDYALSA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)cnc2N)N1 587718468 ZDOJONKKCIQLAP-WJWGPLDTSA-N 404.205 4.208 0 1 HIAF CO[C@H](C)c1ccc([C@@]2(CN)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587751360 YBBHAZGAHXMQOY-VFGMZZLHSA-N 407.327 4.032 0 1 HIAF COC(=O)[C@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809152 QXNFEJHBKYSBOS-RNODOKPDSA-N 406.295 4.124 0 1 HIAF COc1ccc(/C=C\Cc2nc3ccc(I)cc3[nH]2)c(OC)c1 587929739 PHSJXEPNJHLJAY-ARJAWSKDSA-N 420.250 4.441 0 1 HIAF Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 653695832 UCZBYQLMYSGJSK-UHFFFAOYSA-N 401.554 4.480 0 1 HIAF FC(F)(F)[C@]1(Cc2cnccn2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962629854 CNWHLSPOBBLYJU-GGAORHGYSA-N 424.470 4.224 0 1 HIAF Brc1cnc2c([C@H]3NCCc4cccc(-c5ccccc5)c43)cnn2c1 962660223 HOJDWIKFJOYFOB-HXUWFJFHSA-N 405.299 4.394 0 1 HIAF Oc1cc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)ccc1I 963103613 LRRSPWQYLROPDI-UGSOOPFHSA-N 409.242 4.246 0 1 HIAF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ncc(C)cc3C)CC1)C2 1238433471 PFSOXGQUNSMPSU-HXUWFJFHSA-N 408.542 4.373 0 1 HIAF COc1cccc(CCn2nnc3c2CCN(c2ccc(C(F)(F)F)cc2)C3)c1 1857648341 MEWPLSCIOASNNM-UHFFFAOYSA-N 402.420 4.111 0 1 HIAF Cc1ccc([S@@](=O)(=NC#N)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1F 1911582268 RZADJFPOASAKCT-GDLZYMKVSA-N 412.490 4.156 0 1 HIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=C3CC[C@]2(O)C1)CC[C@@H]4[C@H]1C=CC(=O)O1 2356704339 PVFIGYYARZNHQO-AKBMCQCHSA-N 414.542 4.238 0 1 HIAF COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 36384281 SHCPPRWGFGEBKJ-PZJWPPBQSA-N 410.514 4.095 0 3 HIAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl)N1CCOCC1 772975 FPFJPAVQGKFFSO-MJGOQNOKSA-N 423.271 4.083 0 1 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4036894 UUPBEXZRCLLWAS-IRLDBZIGSA-N 423.875 4.470 0 1 HIAF CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N3CCc4ccccc43)cc21 5058529 QLXGUXKVGRNNOO-SSEXGKCCSA-N 416.502 4.036 0 1 HIAF COc1cc2nc(-c3ccc(N4CCN(C)CC4)cc3)cc(O)c2cc1-c1cnco1 13487598 NNEAOHPGJJQMAT-UHFFFAOYSA-N 416.481 4.023 0 1 HIAF Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc12 28568550 KJGBRJCGHINNNU-FGZHOGPDSA-N 402.542 4.283 0 1 HIAF O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCCO 29127032 MXQJCXBZZGUBSZ-UHFFFAOYSA-N 420.852 4.087 0 1 HIAF COc1cc(OC)cc(C(=O)NC2CCN(Cc3ccc4cc(F)ccc4c3)CC2)c1 36351711 WKGHJOSYASFMEI-UHFFFAOYSA-N 422.500 4.391 0 1 HIAF O=C(O)c1cn(Cc2ccc(-c3ccc4[nH]ccc4c3)cn2)c2c(F)cccc2c1=O 45353243 SBIPYYDFKAQRCB-UHFFFAOYSA-N 413.408 4.430 0 1 HIAF O=C(c1cnc(Nc2cccc(C(F)(F)F)c2)c2ccccc12)N1CCOCC1 66251729 GZCOLSDPCMHCAG-UHFFFAOYSA-N 401.388 4.470 0 1 HIAF CCN(C)C(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccc(F)cc1 82216489 GKQYMUMBNGWZQS-UHFFFAOYSA-N 408.477 4.038 0 1 HIAF CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3cc(Cl)ccc3F)o2)n1 98082310 COEGCDIYXNTOGF-UHFFFAOYSA-N 401.872 4.083 0 1 HIAF COc1ccc([C@@H]2CC3=Nc4ccc(F)cc4S(=O)(=O)C3=C(O)C2)cc1OC 100796302 KFCYRYCJLCEYAJ-GFCCVEGCSA-N 403.431 4.050 0 1 HIAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc5c4-c4ccccc4C5)C[C@@H]32)n1 116826866 SCQSUMNRDUQLMN-REWPJTCUSA-N 410.521 4.016 0 1 HIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@H]2C(C)C)n2c1COCC2)c1ccccc1 146069038 DFIYVMXIYOVUOU-RTWAWAEBSA-N 423.557 4.160 0 1 HIAF COc1cccc(OC)c1-c1cc(Cl)cc([C@H](CC(=O)O)c2nnc(C)o2)c1 219435562 CBBJLBWYZFKWIY-HNNXBMFYSA-N 402.834 4.322 0 1 HIAF O[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)c1ccccc1Cl 587057524 ASEMYUKGXMIURZ-LLVKDONJSA-N 417.488 4.218 0 1 HIAF N[C@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(Br)cc1F 587142838 NDZZMSDJNOEDAH-SECBINFHSA-N 404.070 4.409 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c2ccc(F)c3F)[C@H]1c1ccc(F)cc1 587337999 SSTTVPRFIJJABJ-HTAPYJJXSA-N 411.335 4.016 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H](CN[C@H]2C(=O)O)C3)c1 587362803 KVKSAYREGNFPAJ-KFOHMRLHSA-N 414.461 4.044 0 1 HIAF COc1c2c(c(OC)c3occc13)OC(C)=C[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587407935 FWINLLHITSKOSN-HSZRJFAPSA-N 407.422 4.498 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)c4ccccc4)cc1)[C@@H](C2)C3=O 587438128 CNYIBWRZQYHQGR-NBGIEHNGSA-N 400.430 4.446 0 1 HIAF CN1CCO[C@H]([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587498269 DTALPTMHGLAWAN-UPVQGACJSA-N 411.929 4.410 0 1 HIAF CN(C)C(=S)Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587614945 VWSKSPBSKMCPLC-DENIHFKCSA-N 421.474 4.320 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)NC3CC3)cc2)N1 587742143 JOYDSMVQDJRLBI-WLRWDXFRSA-N 403.295 4.104 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2ccccc2N)N1 587746564 HBVBVBPWVYWZRH-ZSEKCTLFSA-N 412.306 4.392 0 1 HIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1-n1cccn1 587756320 DASZXUHSHNNUKM-KZULUSFZSA-N 401.283 4.101 0 1 HIAF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cnc(C)c(Br)n2)s1 587939543 GFFCROPRJBJMEV-UHFFFAOYSA-N 406.305 4.392 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](Cc2ccc(F)cc2Cl)(c2ccoc2)N1 962906167 XCOZLPDUSJWMKF-GHTZIAJQSA-N 403.812 4.296 0 1 HIAF CCOC(=O)[C@]1(c2ccc(F)c(F)c2)c2cccc(Br)c2CCN1C 963271112 SFVVPDYQCNIZGK-IBGZPJMESA-N 410.258 4.022 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)[C@H](N=O)[C@@H](C)N=O 963842216 VTHYZNWTHBNTFL-NQBUEBGYSA-N 419.478 4.137 0 1 HIAF COc1cc(N(CC2CC2)c2ccc(Cl)cc2)cnc1C(=O)[C@@H]1C[C@@H]1C(=O)O 1772586335 RGANFCZPDDPSBH-SJORKVTESA-N 400.862 4.195 0 1 HIAF CCOC(=O)N1CCC(Nc2cc(C)nc3c(-c4ccccc4OC)c(C)nn23)CC1 4715409 HECOGNUYKKKGGV-UHFFFAOYSA-N 423.517 4.055 0 3 HIAF O=C(O)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1 13634590 FYKCPLRGECXZBW-QFBILLFUSA-N 408.372 4.213 0 3 HIAF C[C@]1(C(=O)NCCc2c[nH]c3ccccc23)CCN1Cc1ccccc1OC(F)F 61926983 KTMIIGRLNDOOPL-HSZRJFAPSA-N 413.468 4.093 0 3 HIAF COc1ccc(CCN2CNc3c(-c4cccc(Cl)c4)c(C)nn3C2)cc1OC 6737355 AUYJNNFQKOMDOC-UHFFFAOYSA-N 412.921 4.414 0 1 HIAF CN(CCC1CCN(C[C@@H]2COc3ccccc3O2)CC1)C(=O)N(C)c1ccccc1 13813698 DDJLQAHUKUEJJT-JOCHJYFZSA-N 423.557 4.117 0 1 HIAF COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@H](O)[C@@H]3CCCCN3)c2c1 27523582 GFOSNCCJLRKHLB-BBRMVZONSA-N 408.342 4.457 0 1 HIAF COc1cc(OC)c(C)c(-c2cc3cnc(Nc4ccccc4)nc3n(C)c2=O)c1C 28332644 MOQWMAHAUXPWRX-UHFFFAOYSA-N 416.481 4.373 0 1 HIAF COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(C)cc2)CC1 40402851 MJKRYUCQHJLOIV-HSZRJFAPSA-N 401.522 4.340 0 1 HIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1CSCC2)c1ccccc1 146109572 HLQBNBMBDJUTOO-QFBILLFUSA-N 411.571 4.241 0 1 HIAF Cc1nn(Cc2ccc(NC(=O)/C=C/c3ccccc3)cc2Cl)c(C)c1CC(=O)O 168924372 RPLHDIDYNQTOTR-DHZHZOJOSA-N 423.900 4.481 0 1 HIAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2c(-c3ccccc3)nnc12 199985207 BSBGPAVQSMJLET-UHFFFAOYSA-N 413.460 4.190 0 1 HIAF COCc1c(S(=O)(=O)NCc2ccc(-c3ccccc3)cc2)[nH]c2ccccc12 203657926 DZDVZXNVKSJSHQ-UHFFFAOYSA-N 406.507 4.460 0 1 HIAF CNC(=O)C[C@]1(c2ccccc2)CC(O)=C(Sc2ccccc2Cl)C(=O)O1 299825181 XGHSXMRBDGDROV-FQEVSTJZSA-N 403.887 4.180 0 1 HIAF COC(=O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1OC 586914468 PGAYUMKZBNFEDT-UHFFFAOYSA-N 418.405 4.126 0 1 HIAF CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928735 IFIHZWSJUQJFOG-UHFFFAOYSA-N 403.813 4.056 0 1 HIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(F)c1 587144388 KHEACNZRSXNIRQ-UHFFFAOYSA-N 424.453 4.446 0 1 HIAF O=C1C[C@H](c2nc3cc(Br)cc(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587150341 SKFPIKNESCHDQO-JTQLQIEISA-N 424.220 4.259 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587164061 VUUGWVFOQMDSDM-UHFFFAOYSA-N 408.454 4.394 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)c(F)cc32)[C@@H]1c1ccc(F)cc1 587340879 ZKYWQHYKGVXSLW-KNQAVFIVSA-N 411.335 4.016 0 1 HIAF COC(=O)C[C@@]1(Cc2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420007 DPAIJMIQBAOTLO-IIBYNOLFSA-N 420.383 4.006 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(C1CCCCC1)CC2=O 587484678 TWGNUTQTLLZESD-QHCPKHFHSA-N 402.487 4.151 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CSc1nccn1C)(c1ccc(O)cc1)CC2=O 587493618 SZDAEDAHYZLGFO-QHCPKHFHSA-N 424.522 4.437 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587592369 YFPQAKFYGGOZHS-GCJKJVERSA-N 407.422 4.217 0 1 HIAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COC(C)=O 587804639 CAXUEIGXNUEYKF-PRWKNARSSA-N 422.294 4.284 0 1 HIAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587809465 TYMABDLVSPFZHB-BMLIUANNSA-N 410.283 4.238 0 1 HIAF CSc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)n1 587844669 LVPYKFRAZXFQHD-FUXBKTLASA-N 402.720 4.377 0 1 HIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587963666 PZBAYKLNQQVIRT-STQMWFEESA-N 417.918 4.175 0 1 HIAF CCOC(=O)c1ccc(NC(=O)C[C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963118240 ZCEOPAAADFQJSG-YADARESESA-N 410.489 4.267 0 1 HIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1cccc(CC(N)=O)c1N 963245111 ZIPMVYBOKBCJDJ-XHCCPWGMSA-N 413.565 4.245 0 1 HIAF COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4cnc(C)n4C)C3)cc2)c1 11816743 VHQBZODDZCAPDD-NRFANRHFSA-N 418.541 4.255 0 3 HIAF CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C)nc3ccccc23)cc1OCC 34889467 MVCXOYBZKXJUPW-UHFFFAOYSA-N 421.497 4.051 0 3 HIAF CC1(C)[C@H]2CC[C@@](C)(O)[C@H](COc3ccc4ccc(=O)oc4c3)[C@]2(C)CC[C@H]1O 4073840 WNANPKYNOALKIV-YSLZZLMDSA-N 400.515 4.136 0 1 HIAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC 4296897 ILCNFUAYPDLQLX-CTNGQTDRSA-N 416.905 4.365 0 1 HIAF CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CO[C@H]2CCCO2)CC1 13797082 QCGLXCFFWQYKLF-QHCPKHFHSA-N 403.526 4.307 0 1 HIAF N[C@](CC1c2ccccc2Sc2ccccc21)(C(=O)O)c1ccc(C(=O)O)cc1 13912377 FPQARIIBDDMZEU-QHCPKHFHSA-N 405.475 4.310 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@@]4(C)[C@@H]3CC[C@@]21C 26384796 JPOAJVXSZNVFCE-QXSKATCGSA-N 406.586 4.282 0 1 HIAF CCCCc1nc(Cl)c(C=O)n1Cc1ccc2c(c1)[C@](O)(C(=O)O)c1ccccc1-2 26501697 HSTZQVRYCOMQHP-QHCPKHFHSA-N 424.884 4.041 0 1 HIAF CCCOc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 28571767 FZFBIJQQPYOEKT-QHCPKHFHSA-N 413.477 4.021 0 1 HIAF C[C@@H](CN1CCN(c2ccc(F)cc2)CC1)Nc1nc(C2CC2)nc2ccccc12 29127361 HRIXKFGKXWVPNS-KRWDZBQOSA-N 405.521 4.269 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c3c1OCO3)C[C@@H](C)[C@@H](C)C2 33833411 MXQNEADTXQGZEJ-QWHCGFSZSA-N 400.471 4.488 0 1 HIAF biogenic O=C1C(SCc2cccc(C(F)(F)F)c2)=C(O)CN1Cc1ccc2c(c1)OCO2 34661558 STYJWBFTCHDCCD-UHFFFAOYSA-N 423.412 4.479 0 1 HIAF O=C(Nc1cccc(CN2CCN(C(=O)c3cccs3)CC2)c1)c1cccs1 45202253 BMLRGXLGKBFZPW-UHFFFAOYSA-N 411.552 4.020 0 1 HIAF COc1ccc(CNCc2coc(-c3ccccc3Br)n2)c(OC)c1 72185462 PXFYLBADOTVEOR-UHFFFAOYSA-N 403.276 4.411 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](C(=O)OC)C(C)C)co2)cc1 82070284 BYQLHTMGOLZALU-IBGZPJMESA-N 402.491 4.228 0 1 HIAF CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181394 FJBGLMFLPXXTKV-GOSISDBHSA-N 410.953 4.454 0 1 HIAF CCc1c(C)oc(=O)c([C@@H](C)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c1O 95589365 LVDPVGRUFHBLMZ-NSHDSACASA-N 416.470 4.196 0 1 HIAF O=C1N[C@H](CCc2ccccc2)[C@H](O)[C@H](Cc2ccccc2)N1Cc1ccccc1 98084744 OVTFTTYZDSKPMS-DSITVLBTSA-N 400.522 4.185 0 1 HIAF CCc1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(OC)c3ccccc23)cn1 103245351 WALYQFDLHVSPQH-ZEQRLZLVSA-N 418.537 4.430 0 1 HIAF c1ccc2sc(Nc3ccc(Oc4nccnc4N4CCOCC4)cc3)nc2c1 103283512 MCPHJRVZGYLLFS-UHFFFAOYSA-N 405.483 4.459 0 1 HIAF Oc1cc(-c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)ccn1 117691280 HFDFGDRLZTUDLX-UHFFFAOYSA-N 424.468 4.396 0 1 HIAF COc1ccc(-c2nc(C(=O)N[C@@H](CC(=O)O)c3ccc(C)cc3)ccc2OC)cc1 261075912 AWPITFOHFBGHSQ-FQEVSTJZSA-N 420.465 4.020 0 1 HIAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)c(C)c(C)c2[nH]1)C(C)C 586933213 NNCRQUBMAUQVQL-HNNXBMFYSA-N 416.385 4.359 0 1 HIAF O=C1c2ccccc2-c2cc(CC(=O)C(F)(F)Br)nc3ccc(O)c1c23 586986286 KTCWJDQXMZJUSP-UHFFFAOYSA-N 418.193 4.251 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc2c1 587088518 NYJSFJKPYKZKLU-SNVBAGLBSA-N 414.250 4.252 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(C(F)(F)F)cc4)c1)[C@@H](C2)C3=O 587422776 QQALVKKNTMOZAO-JXFKEZNVSA-N 400.356 4.388 0 1 HIAF CCOC(=O)c1sc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2c1N 587451057 HPYFRAONQUZZBZ-VLIAUNLRSA-N 409.463 4.158 0 1 HIAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2COC[C@@H](C1)N2Cc1ccccc1 587483955 FOQIMNCHFOSJDH-OOEJVQDLSA-N 407.510 4.112 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N(C)c2ccccc2)N1 587754292 JKDQPGCXUNYWLO-RNODOKPDSA-N 405.311 4.391 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCOC3=O)c2)N1 587764993 HXQUPFFOSJDMED-MPBGBICISA-N 419.294 4.343 0 1 HIAF C=CN1CCCC[C@H]([C@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587769129 XDLXDNSBYBPLDA-QTPGKHNVSA-N 421.354 4.500 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3sc(N)nc32)N1 587858653 SLEMWICQOCHWRC-DYBLOJMWSA-N 410.356 4.377 0 1 HIAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(C=C5CCC5)[nH]c4c3)cc2)CC1 587965011 MBUKHEVOGQVNND-UHFFFAOYSA-N 415.541 4.130 0 1 HIAF Cc1c(F)ccc2c1[C@](C)(c1ccc(S(=O)(=O)N3CCCCCC3)cc1)NCC2 962143780 JAUUSEUIKXWGGR-QHCPKHFHSA-N 416.562 4.108 0 1 HIAF CC(C)c1nn(C)c2c1[C@]1(NCC2)c2ccccc2-c2nnc(-c3ccccc3)cc21 962915596 ANKWVFNNEDYMRC-SANMLTNESA-N 407.521 4.419 0 1 HIAF CCOC(=O)C(C)(C)C[C@@]1(c2cccc(F)c2)NCCc2c1c(C(C)C)nn2C 962921422 TUVYVILZQNGUBE-QHCPKHFHSA-N 401.526 4.051 0 1 HIAF CCCC[S@@](=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N 1772657765 GPRBWEBJLQKFDL-HHHXNRCGSA-N 417.585 4.310 0 1 HIAF CCN(CC)CCN=c1[nH]c(/C=C/c2ccc(F)c(F)c2)nc2ccc(F)cc12 1857545502 IQRDYXLTIDJBLU-UXBLZVDNSA-N 400.448 4.393 0 1 HIAF Cc1cc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c(Cl)cc1Cl 1857554907 RJRQAXSEGPCSCI-UHFFFAOYSA-N 405.391 4.187 0 1 HIAF COc1cc(OC)c(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl 4436119 IJDXGSUBOKJXAF-UHFFFAOYSA-N 401.850 4.287 0 3 HIAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 767400 TWVOIYWZHGWKKM-FYYLOGMGSA-N 402.494 4.066 0 1 HIAF O=C1c2ccccc2N(Cc2ccccc2Cl)S(=O)(=O)N1Cc1ccccc1 6579789 MKTKXKYQMQFYKG-UHFFFAOYSA-N 412.898 4.247 0 1 HIAF CCCOc1nc(N[C@@H](C)[C@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1 12405437 IEVBPGAANNEBGZ-JXFKEZNVSA-N 403.486 4.138 0 1 HIAF CCOC(=O)N[C@]1(C(=O)Nc2ccc(N(CC)CC)cc2)CCc2ccccc2C1 28133930 DCFRSWNYKVFXIW-XMMPIXPASA-N 409.530 4.145 0 1 HIAF O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc(F)cc2Cl)C(=O)C1 59278848 FFTKKQMZNGKNPJ-UHFFFAOYSA-N 401.652 4.275 0 1 HIAF COc1ccc(Cn2cnc3cnc(-c4ccc(OC)c(OC)c4)cc32)cc1OC 82083252 RDLHIDGXNNNWMR-UHFFFAOYSA-N 405.454 4.181 0 1 HIAF O=C(Cc1ccccc1)c1nnc(-c2cc(Br)c(Br)[nH]2)o1 95573616 DQJDKPJHYYUMJD-UHFFFAOYSA-N 411.053 4.015 0 1 HIAF COCC1(N(C(=O)[C@@H](C)[18F])c2ccccc2)CCN(CCc2cccs2)CC1 101032877 JSQPDFXSOMVVSP-BYNNLANUSA-N 403.554 4.163 0 1 HIAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CCN(Cc2ccccc2)C1 201100115 GYSMIUJIRNPYBU-VLUSQRCCSA-N 418.581 4.355 0 1 HIAF CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2c[nH]c3ncc(Cl)cc23)C1=O 203747762 MNGIMRBHILIORK-PXNMLYILSA-N 409.829 4.043 0 1 HIAF CCCCCNC(=O)NCCCCCOc1cccc2sc(NC(C)=O)nc12 203760236 UIUUKMBZAMRMGG-UHFFFAOYSA-N 406.552 4.293 0 1 HIAF COc1ccc([C@@H]2C[C@@H](c3cccc(-c4cncnc4)c3)N=C(N)S2)cc1OC 221395037 PWMVRXRKSCIKJR-RXVVDRJESA-N 406.511 4.395 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(OC)ncc3[nH]2)c1 587048812 ARCIELTVJWBFKJ-FPLPWBNLSA-N 413.865 4.010 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2nc[nH]n2)[C@H]1c1ccc(F)cc1 587334408 MIYDPGZIGQISCX-REWPJTCUSA-N 419.387 4.091 0 1 HIAF CCO/C=C(\C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351428 UTRFTHWEORTUCH-JHCRIPLJSA-N 414.429 4.132 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H](CN[C@@H]2C(=O)O)C3)c1 587362802 KVKSAYREGNFPAJ-HBAYXTBCSA-N 414.461 4.044 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)Oc3ccc(Cl)cc31)CC2=O 587459444 DKMREDLSJZSBDR-OAQYLSRUSA-N 400.814 4.220 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1ccc(C(=O)O)cc1)CC2=O 587491478 STRCAVMJJLBSOY-XMMPIXPASA-N 403.434 4.347 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc(O)c(Cl)cc12 587552546 SFZASHRMSWPAHR-SIKLNZKXSA-N 410.809 4.391 0 1 HIAF Cn1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F 587558948 YLNXCDDBRVHTED-APWZRJJASA-N 404.344 4.022 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)oc3ccc(F)cc3c2=O)N1 587732602 NFUOCBRUCVXJIP-RBHXEPJQSA-N 421.241 4.040 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncn2Cc2ccccc2)N1 587755737 QIYNAFTVYOMADZ-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1-n1cncn1 587762057 WXEDGHXJRFHHCI-CWTRNNRKSA-N 401.283 4.101 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C2/Nc3ccccc3C(=O)O2)N1 587796247 SQPDVYOBIMRVHY-HFWITTMMSA-N 417.278 4.462 0 1 HIAF COc1cc(OC)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587808182 PLIPVKGYYWZQCJ-YBTHPKLGSA-N 424.310 4.412 0 1 HIAF CCCNc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587853928 SIKYPJCXIQYEAI-XTZNXHDOSA-N 412.372 4.973 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cnn(C)c3)s2)N1 587856257 XFSYWIQDRSSLND-FVMDXXJSSA-N 407.312 4.069 0 1 HIAF CCOc1nc2sccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587858108 XYLVDEWJIJMEMP-OTYXRUKQSA-N 410.312 4.320 0 1 HIAF CCOc1cc(C=O)c(OCC)n1C[C@H](c1cccc(Br)c1)N(C)C 587940361 OPQKKGDCFKCTNB-QGZVFWFLSA-N 409.324 4.163 0 1 HIAF CN(C)CCCNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1 653700793 KTZTYCVSYSLHOE-UHFFFAOYSA-N 420.534 4.434 0 1 HIAF Cc1ccccc1N1CCN(CCCNC(=O)Oc2cccc3ccccc23)CC1 653848299 LTXKGMIEWLLTGF-UHFFFAOYSA-N 403.526 4.449 0 1 HIAF CN1CCc2c(Br)cccc2[C@@]1(CC(=O)c1ccco1)c1ccccn1 963289915 RSRIGKQDBYVKSL-NRFANRHFSA-N 411.299 4.442 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccccc1CN1CCCC1)C1CC1 963612650 SWODZWPTOOJUCE-DWXRJYCRSA-N 406.570 4.487 0 1 HIAF CCSc1nc2scc(C(F)(F)F)n2c(=O)c1C(=O)N1C[C@@H](C)C[C@H](C)C1 1857582650 MWZOUAQEJQLUOW-UWVGGRQHSA-N 419.494 4.005 0 1 HIAF CCC(=O)CCCN1CCN(C(C)=O)[C@@H](c2ncc(-c3ccc4ccccc4c3)[nH]2)C1 1857610206 ARENJFPGSHILJH-XMMPIXPASA-N 418.541 4.194 0 1 HIAF O=C(CN1CCCC1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 1857744432 VZXAGMLASFYDRN-UHFFFAOYSA-N 415.419 4.427 0 1 HIAF c1ccc(Cn2cc(Cc3nnc(-c4ccccc4)c(-c4ccccc4)n3)nn2)cc1 1857749590 TWZKBSMQXNZDAV-UHFFFAOYSA-N 404.477 4.436 0 1 HIAF O=C(O)C[C@H]1COc2cc(OCCCOc3cccc(Br)c3)ccc21 1857773678 QMCXGQFVAXBZTK-ZDUSSCGKSA-N 407.260 4.248 0 1 HIAF O=C(O)C[C@H]1CCN(C2CCC(F)(F)CC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356305781 FVMDCXVHQGUIRS-KGLIPLIRSA-N 409.452 4.235 0 1 HIAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3ccccc3Cl)sc2n1 2911521 RHFUHDYWQZVTPS-UHFFFAOYSA-N 402.907 4.050 0 3 HIAF C[C@]1(C(=O)NCc2ccc(Cl)cc2)CCN1C(=O)Cc1cccc2ccccc12 61895628 XRLRERMCDCXHEV-XMMPIXPASA-N 406.913 4.343 0 3 HIAF COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 2487485 IIPUSXIFLHXHLK-QFIPXVFZSA-N 424.541 4.104 0 1 HIAF Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2OCCc2ccccc2)c1 6521937 QAVSOBDMRVPKPI-UHFFFAOYSA-N 410.539 4.099 0 1 HIAF CN(C[C@@H](CCCCCC(=O)O)c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 13730296 ZTUJYYIWLULXOO-QGZVFWFLSA-N 424.950 4.174 0 1 HIAF CC[C@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc21 14980546 FNNYFRCNFHNVAK-CQSZACIVSA-N 403.837 4.026 0 1 HIAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](Cc2noc(-c3ccc4c(c3)OCO4)n2)C1 26817708 XTLRIYLTSUYNOM-FUHWJXTLSA-N 411.889 4.397 0 1 HIAF O[C@](CNc1ccc2[nH]ccc2c1)(Cn1cncn1)c1ccc(Cl)cc1Cl 28894915 KBKQXJNMDUBSLS-LJQANCHMSA-N 402.285 4.066 0 1 HIAF COCCCCCn1cnc2cc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21 34375305 TXUDUMMGJQJCQK-UHFFFAOYSA-N 409.317 4.460 0 1 HIAF COCCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 73222470 ADRZQEOBUFIYAZ-LJQANCHMSA-N 401.572 4.191 0 1 HIAF CCOc1cc(O)c2c(c1)O[C@H](c1ccc(OCC)c(OCC)c1)[C@H](OCC)C2=O 84422547 QMMBOSQGNREFSP-DHIUTWEWSA-N 416.470 4.310 0 1 HIAF COc1ccc(Oc2c(Cl)cnn([C@H](CO)c3cccc4ccccc34)c2=O)cc1 95598143 RUHUMVNQBCYKJX-OAQYLSRUSA-N 422.868 4.433 0 1 HIAF COC(=O)Nc1nc2cc(C(=O)c3cc([C@H]([N+]#N)C(F)(F)F)cs3)ccc2[nH]1 100681177 DMTIRBVAOBIQJU-ZDUSSCGKSA-O 410.357 4.490 0 1 HIAF COc1ccc(OC(F)(F)F)cc1CN[C@@H]1CC[C@@H]2CC[C@]1(c1ccccc1)N2 101034867 GXIFPPFQXPIEKY-DUXKGJEZSA-N 406.448 4.493 0 1 HIAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2)C1 114099057 QAAYNFSQPRQNFJ-QHCPKHFHSA-N 422.569 4.355 0 1 HIAF COC(=O)[C@@H]1[C@@H](c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccccc2)[C@@H]1C 169347084 ZPWSMNJWLWWFPP-JEBQAFNWSA-N 406.404 4.150 0 1 HIAF Cc1ccccc1CN1CCC(CCN2C(=O)c3cc4c(cc3C23CC3)OCO4)CC1 206556775 MUVFFZAAHKPEDP-UHFFFAOYSA-N 418.537 4.471 0 1 HIAF COc1ccc(C=O)c2cc(-c3nc4c(C(=O)O)cc(Br)cc4[nH]3)oc12 586904608 ZEVIWBZDXBLTNL-UHFFFAOYSA-N 415.199 4.258 0 1 HIAF Cc1nc(COc2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)cs1 587020382 QJSUOCKPPAGPTM-UHFFFAOYSA-N 402.277 4.078 0 1 HIAF COc1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cc1OC 587153722 ATPCTXQJUCQGGS-UHFFFAOYSA-N 421.428 4.404 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)ncc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238347 CJYQMQCYEMIDER-PLTJGGDTSA-N 406.914 4.166 0 1 HIAF CCOC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587332789 BDDJYNKVJDFLRI-URXFXBBRSA-N 421.424 4.377 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)([C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1 587341065 VFZRKXJZYAPYNL-WMTXJRDZSA-N 405.425 4.360 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccncc4)c(OC)c1)[C@@H](C2)C3=O 587435061 BFASRLZKZGRJGV-MHECFPHRSA-N 403.434 4.167 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Br)ccc(F)c21 587470252 GBQSSSRBXGQRHL-LJQANCHMSA-N 420.234 4.059 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(C)=O 587594251 NQDJNTBLLNSJNR-NFBKMPQASA-N 406.390 4.029 0 1 HIAF CC(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587597156 TVJOUFBQLBNOEC-HYBUGGRVSA-N 401.418 4.325 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCN(C)N=O)(c2cccnc2)N1 587757349 UPNBKDLQKVBMKE-DJJJIMSYSA-N 421.314 4.154 0 1 HIAF CC(C)N1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587772876 XOFCRHUTRSJQGE-MPBGBICISA-N 403.295 4.121 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(N[C@H](C)Cc4cc(Br)c(F)cc41)[C@H](C3)C2 587810116 TVLVCGDCNZNMHO-QSMANWJKSA-N 422.338 4.317 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cnn(C)c3)s2)N1 587856263 XFSYWIQDRSSLND-XXFAHNHDSA-N 407.312 4.069 0 1 HIAF COc1ccc2c(c1)[C@H](c1ccccc1OCCCN1CCOCC1)N(C(C)C)CC2 962040946 DCKXWEFYQMQVIV-SANMLTNESA-N 424.585 4.152 0 1 HIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](COC=C(F)F)(c3ccccc3)N12 962674209 VUEYDPSCAXKZCJ-ZEQRLZLVSA-N 424.447 4.332 0 1 HIAF CCCc1ccc([C@]2(C[C@H](C)CC(=O)O)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962915100 ANXLOZZUWMCJMR-SJODRWRQSA-N 413.489 4.122 0 1 HIAF O=C(Nc1ccc(CN2Cc3ccccc3C2=O)cc1)N1CC[C@@H](c2cccnc2)C1 1857547700 MUZNPAOOFZUPEM-HXUWFJFHSA-N 412.493 4.259 0 1 HIAF CC(=O)c1cccc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)c1 12075797 SFAUYIPRFSNCEF-SFHVURJKSA-N 414.496 4.476 0 3 HIAF CC(=O)Nc1ccc(CN2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)cc1 12437784 VRLDRINWVWPOQR-LJQANCHMSA-N 411.521 4.093 0 3 HIAF O=C(O)C[C@@H](c1ccccc1)c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12 2356384465 RUUOHICPMWEQKV-INIZCTEOSA-N 418.401 4.183 0 1 HIAF C[C@H]1CCCCN1CCCNc1nc2ccccc2c2nc(-c3cccnc3)nn12 6805451 ZOWNHMZQXSMQSY-KRWDZBQOSA-N 401.518 4.016 0 1 HIAF C[C@H](CCF)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823210 HUHQKIHUHFDTTD-GFCCVEGCSA-N 406.306 4.429 0 1 HIAF COc1cc(OC(C)C)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 26830579 VQBVPWPURHBRJT-UHFFFAOYSA-N 424.497 4.244 0 1 HIAF C[C@H]1NCCc2c1[nH]c1ccc(O)c(-c3c(O)ccc4[nH]c5c(c34)CCN[C@@H]5C)c21 28011011 UONAXVFICWYWNY-VXGBXAGGSA-N 402.498 4.141 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@]12C 100700340 WNENMRZSIGSSCW-ZWMLVRTDSA-N 400.607 4.190 0 1 HIAF CCCCCCOC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O 29565753 FRHNHBPNLLEDHR-UHFFFAOYSA-N 402.443 4.089 0 1 HIAF Brc1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1ccc2[nH]cnc2c1 28478282 NNEBCOFFSNRCTM-UHFFFAOYSA-N 421.262 4.479 0 1 HIAF COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC 63539343 AQKQATGZIKRZMQ-UHFFFAOYSA-N 407.474 4.034 0 1 HIAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1c(Cl)cccc1Cl)[C@@H](O)C(C)(C)O2 26730541 YSYJGFABOFVTIV-ZWKOTPCHSA-N 408.281 4.199 0 1 HIAF CC[C@@]1(CCCCN2CCN(c3ccccc3OC)CC2)C(=O)Nc2ccccc21 29052982 QOLSSOMCERQWLI-VWLOTQADSA-N 407.558 4.288 0 1 HIAF O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2[C@@H](C1)CN2c1cnc2ccccc2n1 116828601 WBFFBCACAZRULE-YADARESESA-N 406.489 4.258 0 1 HIAF CN1C(=O)C2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@H]1c1ccc(Cl)cc1 62213045 GXWNETASWIFTDL-GOSISDBHSA-N 419.859 4.446 0 1 HIAF O=C(N[C@H](c1cnc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnccc2c1 72177659 SFUDYIVRGZHMST-IBGZPJMESA-N 415.324 4.407 0 1 HIAF CC(C)(C)c1cccc([C@@H]2CNC[C@@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49046794 HNAXCRUIEUANFZ-OALUTQOASA-N 423.944 4.421 0 1 HIAF CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1CC(C)C 140604999 SDVLOQHJJPNZLT-UHFFFAOYSA-N 424.501 4.059 0 1 HIAF Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N)CC3)c1 142223504 YGXWLBBERBHMTL-DQEYMECFSA-N 420.578 4.073 0 1 HIAF COc1ccc(C2=NN(C(=O)c3ccc4c(c3)OCCO4)[C@H](c3ccccc3)C2)cc1 95561560 PSHJDGOJBUVBDF-QFIPXVFZSA-N 414.461 4.458 0 1 HIAF Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@H]34)cc2)c1 95875564 AJFGPRMGCHYGQR-SDHSZQHLSA-N 421.585 4.005 0 1 HIAF Cc1cc(-c2cc(F)c3nnc(C(C)(C)c4ccc5ncc(O)cc5c4)n3c2)on1 299867963 YYNKMAWXIGYWDC-UHFFFAOYSA-N 403.417 4.412 0 1 HIAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NC[C@H](O)CC 299883566 RNXNCZKHKKZYJL-WNOPAQSVSA-N 424.541 4.188 0 1 HIAF CCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1 587716229 CTMKJCUXYKEOEC-RTHLEPHNSA-N 406.221 4.447 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Br)cs1 587615655 XJWALAYVIQCLHS-BBRMVZONSA-N 404.241 4.314 0 1 HIAF CCOC(=O)/C(=C\N(C)C)c1nc2ccc(O)c3c2c(c1CC)-c1ccccc1C3=O 586988563 MCBXUIAECSVZSV-LGMDPLHJSA-N 416.477 4.180 0 1 HIAF COc1c(F)ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1N 587135422 ZTOVCAPEBXXJRH-UHFFFAOYSA-N 415.060 4.485 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2cnn(C)c2)N1 587732511 NNCCKVUXJRHFRS-MPBGBICISA-N 418.285 4.287 0 1 HIAF C[C@@]1(CC(=O)Nc2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371254 BSEMZWMBRSCWLJ-RXVVDRJESA-N 412.442 4.134 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccc(C(=O)O)c23)N1 587802874 OASLXNWDSQLYEZ-LZVRBXCZSA-N 403.251 4.391 0 1 HIAF COc1ccccc1NCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587861681 BOLPZYKQCMVCNV-UHFFFAOYSA-N 405.376 4.338 0 1 HIAF CCOC(=O)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549620 SAEZOYXICVLLNM-WMZHIEFXSA-N 424.836 4.466 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCC14CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O 587441004 CPAYNWHHGJDSAE-XDHUDOTRSA-N 413.514 4.383 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CSc1nccn1C)(c1ccc(O)cc1)CC2=O 587493617 SZDAEDAHYZLGFO-HSZRJFAPSA-N 424.522 4.437 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2[C@@H](C(=O)O)NC[C@H]32)c1 587364303 ZUEDPXNJRDOXPE-YGJVYZRNSA-N 414.461 4.359 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3ccc(-c4nccs4)cc3)nc-2[nH]1 587023606 MZKLHMPUJSEZDO-UHFFFAOYSA-N 400.467 4.413 0 1 HIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CO3 586981505 QBQDYWKXNVAONV-UHFFFAOYSA-N 423.270 4.422 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc2cc1OC 587052061 WQZKEYGPEZXUJK-UHFFFAOYSA-N 401.850 4.273 0 1 HIAF Nc1ccc(-c2ccc3nc(-c4nc(Cl)cnc4Br)[nH]c3c2)cc1N 587005381 GMPAQDOJJQTCHN-UHFFFAOYSA-N 415.682 4.267 0 1 HIAF COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O 587807834 NVYLYEQJNZJSMR-GIGQVBGESA-N 410.283 4.109 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(N)sc32)N1 587854504 CCYVPITWZIWTCU-NIVTXAMTSA-N 410.356 4.377 0 1 HIAF CCOC(=O)c1nn(C)c2c1CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587104801 JMFAOQMKWLJKEB-UHFFFAOYSA-N 409.445 4.122 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@@H]1c1cc3c(O)nc(O)nc3nc1C2 587561887 XSOLNHBMMMFIMO-ZZSIKZAQSA-N 409.530 4.069 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(F)cc3Cl)nn1)CC2=O 587466345 KIRPFVFDZAZFTK-LJQANCHMSA-N 401.825 4.424 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587700120 RUGHBNPXAADIFR-LZVRBXCZSA-N 409.686 4.280 0 1 HIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(C(F)(F)F)cnc2[nH]1 587001682 GUFYKBLJVIVMAX-LBPRGKRZSA-N 424.224 4.463 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587328839 KKVQECZMVPMAOP-SIKLNZKXSA-N 409.800 4.391 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)sc(=O)n3C)N1 587858010 WXOVJWOHXOIWIP-XLFHBGCDSA-N 407.308 4.125 0 1 HIAF CCOC(=O)CCCC[C@@]1(c2ccc(C)cc2)c2ccsc2CCN1C(N)=O 962716624 WYKSRSFWFUEXAS-JOCHJYFZSA-N 400.544 4.360 0 1 HIAF C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cc3sccc3n2C)C1)c1ccccc1 5085129 QKQGHEHOAXQCJF-SJLPKXTDSA-N 409.555 4.012 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 2492805 AKFJNRGYGYALQC-DRTZVQJESA-N 424.516 4.155 0 1 HIAF CCc1ccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)CN(C(=O)C3(CC)COC3)C2)cc1 204892114 KPBZDHBPOUKYIH-FCHUYYIVSA-N 420.553 4.246 0 1 HIAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl)N1CCOCC1 772974 FPFJPAVQGKFFSO-PKOBYXMFSA-N 423.271 4.083 0 1 HIAF Ic1ccc([C@@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 2916576 YLHYSSXVAKCIGQ-STQMWFEESA-N 408.268 4.091 0 1 HIAF COCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553432 FHTOTHHKXBXMIN-UHFFFAOYSA-N 423.344 4.350 0 1 HIAF COc1cccc(C(=O)N2CCCC2)c1OCc1nc(-c2ccc(Cl)cc2)no1 28525031 SFMGNVHKSNUSEE-UHFFFAOYSA-N 413.861 4.214 0 1 HIAF C[C@@H](Cc1ccc(C2=CCNCC2)cc1)NC[C@H](O)c1cccc(C(F)(F)F)c1 45195955 ZJLCWHVPJHAQPZ-AOMKIAJQSA-N 404.476 4.336 0 1 HIAF CN(Cc1ccccc1)[C@@H]1CCCN(c2cc(NC(=O)c3cccs3)ccn2)C1 45301558 RYWPADQCCIAQPU-HXUWFJFHSA-N 406.555 4.496 0 1 HIAF O=C1OCC2=C1[C@@H](c1cncc(Br)c1)c1ccc3ccc(O)cc3c1N2 71295708 ZFHLAZGWCLHMLR-KRWDZBQOSA-N 409.239 4.071 0 1 HIAF CCN1CCC(Nc2ccc3c(c2)/C(=C(/c2ccccc2)c2ncc[nH]2)C(=O)N3)CC1 84741197 PAUHYDQXWBOZBD-GHVJWSGMSA-N 413.525 4.217 0 1 HIAF COC(=O)[C@@H](N)C[C@]1(C)C[C@H]2CC[C@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C 101097368 UASYBMLHVWZBST-LJTNYMJHSA-N 408.627 4.288 0 1 HIAF CC1=N[C@@]2(N=C1N)c1cc(OCCCF)ccc1CC21CCC(OC(F)F)CC1 210595965 WOFHTRRBXQUHFJ-KUTOWUBSSA-N 409.452 4.134 0 1 HIAF Cn1c2c(c3ccccc31)CC(=O)N(c1ccc(Cl)cc1)[C@@H]2C(=O)NC(C)(C)C 299832251 TVDYAIUZKSYOFY-NRFANRHFSA-N 409.917 4.377 0 1 HIAF Cc1cc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c(C)n1 586954260 GOPFDJDXKOOXKU-UHFFFAOYSA-N 420.538 4.296 0 1 HIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(F)cnc(Cl)c2[nH]1 586999898 FEVGIISIDKXWLQ-NSHDSACASA-N 408.662 4.237 0 1 HIAF Brc1nc(-c2nc3c(Br)ccnc3[nH]2)c(C2CC2)s1 587013467 XKGUVMUQFRBIJY-UHFFFAOYSA-N 400.099 4.484 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc2c1 587091265 CVPKQRYHBGVUQQ-UHFFFAOYSA-N 418.169 4.262 0 1 HIAF Cc1[nH]c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C(=O)O 587345750 KKWFIYXZFRTIRJ-WMZHIEFXSA-N 409.413 4.449 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4cc(Cl)cn4)c1)[C@@H](C2)C3=O 587420187 HIVQGSHFUKILOW-JTSKRJEESA-N 410.857 4.091 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4c(Cl)cc(Cl)cc41)[C@@H](C2)C3=O 587423524 UZJPXLLZLPINES-PRWKNARSSA-N 419.216 4.006 0 1 HIAF COC(=O)c1ccc(-c2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2)cc1 587435290 FEQMIEVTTFYZMO-UZUQRXQVSA-N 401.418 4.033 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccc(Cl)nn23)N1 587705323 MUJZBFYIICCYMG-XLFHBGCDSA-N 409.690 4.082 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cccnc2Cl)N1 587706241 PFEMXJVAEDBWJJ-TYMCSGCZSA-N 424.745 4.490 0 1 HIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1-n1cncn1 587760720 QDMKXQUEXAAGSO-BLVKFPJESA-N 401.283 4.101 0 1 HIAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587809467 TYMABDLVSPFZHB-BTDLBPIBSA-N 410.283 4.238 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)([C@H](O)c2ccco2)N1 587829734 RDQKPXLHGYBAHK-CXWAGAITSA-N 406.251 4.286 0 1 HIAF CSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)n1 587842740 FXBOFBLNAGYCMO-UHLUBPPHSA-N 402.720 4.377 0 1 HIAF O=C(Nc1cccc(CN2CCCC2)n1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 653739305 ZHGPXTXAVBCOTI-IBGZPJMESA-N 405.502 4.002 0 1 HIAF COc1cc2c(cc1OC)[C@@](C)(c1c(C)[nH]c(C(=O)O)c1C(C)C)N(C)[C@@H](C)C2 962641961 YCALJLNJIZOJQR-NPMABZOXSA-N 400.519 4.302 0 1 HIAF CCOC(=O)c1cccc([C@@]2(C(=O)OCC)N[C@@H](CC)Cc3c2[nH]c2ccccc32)c1 962951589 IAYKYEAVHNLNLY-AVRWGWEMSA-N 420.509 4.076 0 1 HIAF COc1cccc2cc3c(nc12)[C@@](C)(COc1cccc(Br)c1)NCC3 963044848 DWDIERAGYUOPAX-OAQYLSRUSA-N 413.315 4.446 0 1 HIAF COc1ccc([C@@H]2NCCc3c(C)ccnc32)cc1Cn1nc(C(F)(F)F)cc1C 963077965 VRVQHNDTGBMZTF-FQEVSTJZSA-N 416.447 4.206 0 1 HIAF COC(=O)c1cc([C@@]2(c3ccc(F)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c[nH]1 963115494 VOTWWFNTBFIADI-RDPSFJRHSA-N 408.448 4.392 0 1 HIAF C[C@]1(c2cc(C=O)cs2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963185117 KKGRWWMQYMUKEE-MEDUHNTESA-N 403.809 4.095 0 1 HIAF C[C@H](N[C@@H]1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ccc(F)cc2-4)CC1)C(=O)O 1772624296 IHXXNIJMUIHGBG-XJKSGUPXSA-N 420.488 4.317 0 1 HIAF COc1ccc(-c2c(C)[nH]c3c(C4=CCOCC4)c(-c4ccccc4)nn3c2=O)cc1 1857533904 OGQBQQPJOSXPKI-UHFFFAOYSA-N 413.477 4.477 0 1 HIAF O=C1OC[C@H](Cc2cccc(F)c2)[C@H]1Cc1ccc(I)cc1 1911585085 ZLQOVWNSFYSPNH-WMLDXEAASA-N 410.226 4.005 0 1 HIAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@@H](O)C[C@@H](CO)CNC)CC1 2356776197 RFXLKVTYRRYTBK-LILXYRQWSA-N 411.627 4.379 0 1 HIAF Cc1c(C(=O)N2CCCCC2)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 2459784 POVDHEPFCFYWAV-HZPDHXFCSA-N 418.559 4.034 0 3 HIAF CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)c4ccccc4)[nH]c(=O)c23)CO1 13638437 HWFJGTNYMAUNSF-FQEVSTJZSA-N 400.525 4.201 0 3 HIAF O=C(N[C@@H]1CCCCN(Cc2cccc(F)c2)C1=O)c1cccc(C(F)(F)F)c1 199408159 FUEHFFQIPCRGIX-GOSISDBHSA-N 408.395 4.156 0 3 HIAF CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)cc1 772172 QTPNFNSMBKREKY-UNMCSNQZSA-N 412.917 4.414 0 1 HIAF CCOC(=O)N1CCC(c2nc(C)sc2C(=O)NCc2ccc(Cl)cc2)CC1 4961513 MKBVARYKLYJFJF-UHFFFAOYSA-N 421.950 4.371 0 1 HIAF CC1(C)C=Cc2cc(-c3coc4c5c(cc(O)c4c3=O)O[C@@H](C(C)(C)O)C5)ccc2O1 14825210 RHNKNAQMIBBEOO-HXUWFJFHSA-N 420.461 4.424 0 1 HIAF biogenic CCCCCC(=O)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 27860153 MOKMFJFBQMZAMS-RTBURBONSA-N 407.466 4.448 0 1 HIAF CCCN1C(=O)c2cccnc2[C@@H]1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 29050953 AVYBVRKSMWGVLD-NRFANRHFSA-N 410.481 4.078 0 1 HIAF [O-][n+]1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 43177366 WEZKAVBVBABLRE-UHFFFAOYSA-N 424.407 4.087 0 1 HIAF O=C1CSC(N2N=C(c3ccccc3)C[C@H]2c2ccc(Br)cc2)=N1 73296109 VZUOXKTTZJFLLO-INIZCTEOSA-N 400.301 4.230 0 1 HIAF CCCCNC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccccc1 82132729 RBPDADUBUVGEFG-UHFFFAOYSA-N 404.514 4.337 0 1 HIAF CCCc1nc2c(NCCCc3ccccc3)ncnc2n1CCN1CCCCC1 82180047 DVFJEXUANUXAER-UHFFFAOYSA-N 406.578 4.309 0 1 HIAF Cc1ccc(-c2cn[nH]c2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1 96175598 HZMUAGSAWQJPQK-IAGOWNOFSA-N 408.477 4.239 0 1 HIAF O=C(N[C@H](CO)CC1CCCCC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166128131 FUZNQXVUKGFIGX-QHCPKHFHSA-N 421.541 4.295 0 1 HIAF CCSc1c(Nc2c(C)cc(C)cc2C)ncnc1N(CCOC)CCOC 169310342 NKJLRIAVRAZBTG-UHFFFAOYSA-N 404.580 4.357 0 1 HIAF O=c1c(Nc2ccc(C(F)(F)F)cc2)c(N[C@@H]2CCCC[C@@H]2N2CCCCC2)c1=O 209336883 JRSCPJJNZMRAQS-SJORKVTESA-N 421.463 4.254 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2ccccc2F)cc1 299863691 LKAKGBUKZCZEMT-NZQKXSOJSA-N 421.497 4.001 0 1 HIAF O=C1CCc2cc3nc(C[S@](=O)C(c4ccccc4)c4ccccc4)[nH]c3cc2N1 586959267 KGDGVGJNTZFBRX-PMERELPUSA-N 415.518 4.486 0 1 HIAF Fc1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c(F)c1F 586969336 JHTZNBUKKWKJQH-UHFFFAOYSA-N 406.345 4.051 0 1 HIAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(Br)c2[nH]1 586984844 VKLQOBBRGHISRT-GFCCVEGCSA-N 413.088 4.470 0 1 HIAF COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1F 587000926 PDXHRZGQGLITGN-ZDUSSCGKSA-N 403.255 4.197 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)cnc2[nH]1)c1ccc(F)cc1 587170716 GMYVAPZPBVMBNK-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1C 587240229 RMGUVWGTEILYPW-FPULEUEGSA-N 415.534 4.435 0 1 HIAF CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)CC1 587556364 AMZWWJOYVXCDQK-UHFFFAOYSA-N 422.485 4.218 0 1 HIAF CC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nc1C 587587955 OVWBXDGTZAHWTR-XUZZJYLKSA-N 403.434 4.484 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC2CCOCC2)nc1 587588974 SPWVCZCMEXSWJB-URXFXBBRSA-N 419.433 4.048 0 1 HIAF CCOC(=O)Cc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599653 YKNKCEFREZDADL-RDGATRHJSA-N 418.445 4.375 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2N1CCSCC1 587617807 KZNWNLPAJRJDPC-ZRCGQRJVSA-N 411.523 4.084 0 1 HIAF CC(C)N1CCc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2C1 587858288 PUNXUALPNJINHR-VOJFVSQTSA-N 424.383 4.435 0 1 HIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587929853 NEIHLFPSPLHVME-YJYMSZOUSA-N 401.260 4.477 0 1 HIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3csc4cnc(Cl)nc34)N12 962658005 DURHHFNREVBJLL-UTKZUKDTSA-N 424.913 4.081 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@]2(CCC[C@H](C(F)F)C2)N1 962926029 KXOKMTTUFLEHFZ-DVXDUOKCSA-N 403.425 4.434 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1nc2cccc(C)n2c1Br 963637508 SNTXDJYKVITISC-VOJFVSQTSA-N 416.319 4.046 0 1 HIAF CC(C)Cc1cc(CNS(=O)(=O)c2cccc(Cl)c2)nn1-c1ccccc1 1772655503 GICULEZRSVIPOL-UHFFFAOYSA-N 403.935 4.203 0 1 HIAF Nc1c(F)c(NCc2ncc(C(F)(F)F)cc2F)cc(F)c1NC(=O)OC1CC1 1857606888 YAUVRZGKIRPKAW-UHFFFAOYSA-N 420.313 4.423 0 1 HIAF CC[C@H](CO)n1c(SCc2cc(=O)oc3cc(C)ccc23)nc2ccccc2c1=O 2624743 SSCVIULWJKQDQA-MRXNPFEDSA-N 422.506 4.047 0 3 HIAF CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc(OC)c(C(F)(F)F)c1 61905449 UMPWBLVHVRCKKY-IBGZPJMESA-N 400.441 4.015 0 3 HIAF COc1ccc([C@@H]2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 3987188 MPCUXOCFSYGKRJ-NRFANRHFSA-N 412.505 4.220 0 1 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4080221 XQYYSAZSKXQKAP-IFMALSPDSA-N 405.885 4.330 0 1 HIAF CC(=O)[C@@H]1[C@H](O)C[C@H]2[C@](C)([C@@H](O)C[C@H]3[C@@]4(C)CCCC(C)(C)[C@H]4CC[C@]32C)[C@@H]1C=O 13335123 GQEUTUBASUQEIX-PQFAHIJJSA-N 418.618 4.407 0 1 HIAF biogenic O=C(OCCCc1ccccc1)[C@@H]1CCCN1C(=O)NC12CC3CC(CC(C3)C1)C2 13441747 YQVJXMAFLKMONB-UQQXROCHSA-N 410.558 4.305 0 1 HIAF Cc1cccc2c(CC(=O)O)nn(Cc3nc4c(ccc5ccccc54)s3)c(=O)c12 13860806 IWLUCNVYVFGYLC-UHFFFAOYSA-N 415.474 4.143 0 1 HIAF N#Cc1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3ccccc3)ccc2=O)c1 25238149 ZTRMEGWKGPFYTH-QUCCMNQESA-N 410.477 4.038 0 1 HIAF biogenic CCCCCC(=O)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27860146 MOKMFJFBQMZAMS-OALUTQOASA-N 407.466 4.448 0 1 HIAF C[C@H]([C@H](c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C 28331462 RSDPLFJFCIEHAP-WZONZLPQSA-N 422.573 4.069 0 1 HIAF NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1NCc1ccncc1 29047335 ANNLVRCQHFWGRN-UHFFFAOYSA-N 410.477 4.256 0 1 HIAF COc1ccc(Cn2c([C@@H]3CCCN(C4CCOCC4)C3)nc3ccccc32)cc1 49112985 WLXTZKAROJEVMI-HXUWFJFHSA-N 405.542 4.452 0 1 HIAF COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)cc1OC 53298256 CPQMLGLUULWKDX-YVLHZVERSA-N 404.426 4.169 0 1 HIAF O=C(O)c1cccnc1Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1 96258049 QAMCHSJRBYKEFC-UHFFFAOYSA-N 409.854 4.284 0 1 HIAF Cc1ccnc2c(NC(=O)c3ccc(N4C(=O)[C@H]5[C@@H]6C=C[C@H](C6)[C@H]5C4=O)cc3)cccc12 100441550 BLPUCTSDPCUHQQ-ZYOFANERSA-N 423.472 4.107 0 1 HIAF CC(C)Oc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100632762 WJLQDOOELRWEQR-DNVCBOLYSA-N 410.539 4.148 0 1 HIAF COc1ccc(CN(C)C(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)c(OC)c1OC 100880078 LXKZDKNVFVFFPN-RNXMBNEDSA-N 407.938 4.249 0 1 HIAF O=S(=O)(c1ccccc1)[C@H]1C[C@H]2O[C@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 102285141 ONZSWOKBHMLNCW-ZFGGDYGUSA-N 420.486 4.022 0 1 HIAF O=C(CSc1nnc(-c2cc3ccccc3oc2=O)o1)Nc1ccc(Cl)cc1 103185061 QYIBZWWUVQANQM-UHFFFAOYSA-N 413.842 4.227 0 1 HIAF COc1cn(-c2cccc(C(F)(F)F)c2)nc(-c2ccnn2-c2ccccc2)c1=O 114005866 GZYJHHIEGNWBCR-UHFFFAOYSA-N 412.371 4.113 0 1 HIAF in-vitro O=C1CCc2cc(OCCCN3CCN(c4cccc5sccc45)CC3)ccc2N1 115083551 SVNKBCHDVYMMAY-UHFFFAOYSA-N 421.566 4.377 0 1 HIAF COc1ccc(C)cc1NC(=O)OC1C[C@@H]2CCC[C@H](C1)N2CCCCCCN 142875583 LKFLCBUCBHTSTF-YOFSQIOKSA-N 403.567 4.457 0 1 HIAF CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1ccccc1OC)C[C@H](C)CC3 206149601 DCIFFTAOKNOUHO-ZUOKHONESA-N 407.514 4.192 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccc(F)cc1 261150059 ORIXTSXSDARXFL-IBGZPJMESA-N 408.429 4.151 0 1 HIAF Cc1cc(Cl)cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 586950591 HGGORBCSXLORCT-UHFFFAOYSA-N 418.950 4.457 0 1 HIAF Nc1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 587095301 CKBREAXZYOCEHL-UHFFFAOYSA-N 409.311 4.124 0 1 HIAF N[C@@H](N=O)c1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1 587153734 BGSCAWUBCMTTJZ-NRFANRHFSA-N 419.416 4.110 0 1 HIAF O=C(/C=C\c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)Nc1ccc(F)cc1 587166768 IPJLOIUAUXHIDN-WAYWQWQTSA-N 400.282 4.403 0 1 HIAF Cc1c([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1C 587326470 CAMBBQJGLYYVCH-RXVVDRJESA-N 402.372 4.093 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCC4)O2 587409335 RNBDLNDXQUUFBF-SXBQZSJRSA-N 419.477 4.364 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(I)ccc1F)[C@@H](C2)C3=O 587429296 UBWYRWNDCPGVNR-UGSOOPFHSA-N 424.209 4.102 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1F 587567645 IMBKKKVOOBFXAJ-URXFXBBRSA-N 421.424 4.071 0 1 HIAF COC(=O)/C=C/c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587591833 HUDITUSKHZKAFO-MHBYJGJRSA-N 402.402 4.281 0 1 HIAF CCn1ncc(Br)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587676835 GFJBNTZEYSMTSQ-RTHLEPHNSA-N 417.120 4.191 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)nn2C)N1 587723775 XVCYLDBHUTYRQJ-VXJOIVPMSA-N 406.221 4.138 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)N1 587744678 SJCYCCVODRKFEZ-DQNAHFDYSA-N 413.331 4.395 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(Cl)nc(SC)n1 587869098 BDHSLQVTYRAROJ-UHFFFAOYSA-N 401.801 4.127 0 1 HIAF COc1cccc(-c2cc(O)n(-c3cccc(-c4cccc(C(=O)O)n4)c3)c2O)c1 587936763 DPZFYCSUFUJOCX-UHFFFAOYSA-N 402.406 4.324 0 1 HIAF Cc1cn(C)c(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2cc(Cl)c(O)cc2O)n1 653671434 YASUGMSGTIVYCC-ZDUSSCGKSA-N 411.889 4.442 0 1 HIAF CC(C)(C)OC(=O)N1CC(Sc2ccc([C@H]3NCCc4ccc(O)cc43)cc2)C1 963340333 GONSUVXIGXHGKT-OAQYLSRUSA-N 412.555 4.339 0 1 HIAF Cc1c(O)ccc2c1[C@@](Cc1ccccc1)(c1cccc(Cl)c1)N[C@H](C(=O)O)C2 963490462 KCDXBXYGXMZECG-GBXCKJPGSA-N 407.897 4.439 0 1 HIAF Cc1c(C(=O)NCCc2ccc(N3CCC[C@@H]3C)cc2)[nH]c2ccc(Cl)cc2c1=O 1772620642 ULGZDMBMOUGUKI-HNNXBMFYSA-N 423.944 4.451 0 1 HIAF CCCNC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)nc2ccc(C)cn12 1857607782 UORPOXGLSASZDY-UHFFFAOYSA-N 404.392 4.054 0 1 HIAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@H]1[C@]3(C)CC[C@@H]2OC(C)(C)OC[C@]21C 2356326332 WTLPSBZUQMYRGQ-QQJNPHFDSA-N 420.590 4.455 0 1 HIAF C[C@@H]1Nc2ncnc(N3CCc4ccccc4C3)c2N(Cc2ccc(Cl)cc2)C1=O 36382443 XPONLXFZEOKIFF-HNNXBMFYSA-N 419.916 4.040 0 3 HIAF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc1 767500 SHANLFTULBQYEI-GGAORHGYSA-N 404.466 4.129 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1OC 771774 NPJQGKYGCVXUIF-GMAHTHKFSA-N 420.465 4.095 0 1 HIAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4cnc5ccccc5c4)c3)cc12 14957858 NRBLWRZCVUTONX-NRFANRHFSA-N 409.493 4.430 0 1 HIAF Fc1ccc([C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Br)cc3)O2)cc1 28767228 HULMHEDWRLRAJV-RBUKOAKNSA-N 403.251 4.426 0 1 HIAF COc1ccc(N2Cc3ccc(Cl)cc3C2=O)cc1OCCN1CCCCC1 28819739 RPMSSCHTMOHRNG-UHFFFAOYSA-N 400.906 4.374 0 1 HIAF O=C1N(Cc2cc3ccccc3s2)C[C@@H]2CN(Cc3ccc(F)c(F)c3)CCN12 45315063 WHADIMBJNQEPIY-KRWDZBQOSA-N 413.493 4.302 0 1 HIAF COC(=O)[C@@H]1[C@H](OC)Sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 64311496 CEZHWHUQYGOXFW-ZJSXRUAMSA-N 421.518 4.262 0 1 HIAF COc1cccc(-c2cc(NCCc3c[nH]c4cc(OC)ccc34)nc(OC)n2)c1 66104586 MWDNXBVPIDBXKP-UHFFFAOYSA-N 404.470 4.305 0 1 HIAF CCn1c(CC(=O)NCc2ccc(F)cc2Cl)cnc1-c1ccc(F)cc1F 72109117 GCOZZVCERGFMEM-UHFFFAOYSA-N 407.823 4.500 0 1 HIAF CCCn1cnc2c(NCc3ccc(C(F)(F)F)cc3)nc(N[C@H](CC)CO)nc21 95561030 ACTHKEPLJBFNNI-OAHLLOKOSA-N 422.455 4.050 0 1 HIAF OC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 95873445 DKXOAUTXQRCGFG-QKDODKLFSA-N 413.565 4.173 0 1 HIAF O=C(Nc1nnc(-c2ccccc2)s1)c1nc(C2CC2)ccc1Nc1cncnc1 96167417 LWTLVZYRCFDRCS-UHFFFAOYSA-N 415.482 4.263 0 1 HIAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(S[C@@H]4CCCCO4)cc3)c3c(N)nccn32)C1 100618737 JNXSRXIMLNLMFQ-JLDZCNIISA-N 410.543 4.226 0 1 HIAF CN1Cc2ccc(NC(=O)N[C@@H]3C[C@@](C)(C(F)F)Oc4ccccc43)cc2NC1=O 143577992 XVUKZGYEXUJJOD-IERDGZPVSA-N 416.428 4.333 0 1 HIAF CC[C@H](C)Oc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 146745767 DRXNXOKZAZEGFK-ZDUSSCGKSA-N 401.850 4.375 0 1 HIAF CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)[C@H]2C(=O)CC(C)(C)CC2=N3)cc1 169690040 WOSDUEIWRIPHEQ-RTWAWAEBSA-N 414.513 4.087 0 1 HIAF CCCC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2Cc2ccc(F)cc2F)C1 204905470 LYGQILOQQFZIDT-UHFFFAOYSA-N 420.463 4.433 0 1 HIAF COc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2nccc(-c3ccccc3)n2)[C@H]1C 225856183 LBLBKHYDUJYKHT-OXQOHEQNSA-N 420.488 4.397 0 1 HIAF CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4ncccc43)CC2)[C@H]1c1ccccc1 299848341 LXUUSGOHHUQMAK-LNLFQRSKSA-N 406.486 4.180 0 1 HIAF Cc1onc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)c1COc1ccc(Cl)cc1 587078327 OBZLYOGGIPPAPD-UHFFFAOYSA-N 419.846 4.005 0 1 HIAF N[C@@H](N=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116234 AFBCLDJFBYOZJK-INIZCTEOSA-N 412.803 4.275 0 1 HIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)C(F)(F)C1 587132813 VKMUHIXHAGPGBX-VIFPVBQESA-N 420.229 4.434 0 1 HIAF CCCSc1ncccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587277023 ZONKDQZBTNKSLU-UHFFFAOYSA-N 407.289 4.211 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421266 JONNIRXEZFMNKK-IERDGZPVSA-N 420.383 4.310 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)([C@H]1CCC[C@@H](C(=O)O)C1)[C@@H](C2)C3=O 587429053 RUBWGYCDYNVFTJ-HQWYZPHXSA-N 410.441 4.368 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4ccc(F)cc4)n1)[C@@H](C2)C3=O 587429116 SOSWXCASEJYGDW-KKSFZXQISA-N 424.453 4.464 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(C)CC3)cc1Cl)CC2=O 587459127 BXQDCNSDAJSCBH-JOCHJYFZSA-N 414.933 4.456 0 1 HIAF Nc1nc2cc(Cl)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 587553273 VDOBIWBJHYCVRE-OXQOHEQNSA-N 408.797 4.472 0 1 HIAF C[C@]1(c2ccccc2N2CCOC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595129 OUPIEWHENYMGSZ-HYBUGGRVSA-N 417.417 4.226 0 1 HIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc(N2CCCCC2)n1 587595684 PYWIJKOHHQTDQX-NFBKMPQASA-N 417.465 4.184 0 1 HIAF CC1(C)CC(=O)C(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)C1 587603297 LRSACPKTZMNRSB-GBXCKJPGSA-N 408.450 4.077 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccc(Cl)nn23)N1 587705324 MUJZBFYIICCYMG-XYZCENFISA-N 409.690 4.082 0 1 HIAF CC(C)OC(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587707497 UUTRKYPUHJHTPA-PSLIRLAXSA-N 412.221 4.222 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3=O)cc2)N1 587768089 SRVXIQKQWDVKQH-YUNKPMOVSA-N 403.295 4.339 0 1 HIAF Cc1ccc([C@@]2(c3ncc[nH]3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587790119 HFSORIDEHFEUSB-RNODOKPDSA-N 400.295 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(C(=O)O)ccc32)N1 587827071 NEEPSAFSXZYEHX-YBTHPKLGSA-N 404.279 4.401 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccc(O)cc3oc2=O)N1 587843943 VCOWTVOQAICGEG-CFMSYZGJSA-N 418.262 4.198 0 1 HIAF Cc1cc(-c2nc3cc(C4CCOCC4)cnc3n2Cc2ccccc2)cn(C)c1=O 1772579888 TVRQUYDHKCCCDB-UHFFFAOYSA-N 414.509 4.048 0 1 HIAF CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\c1cccs1 1911576258 GVPKMIKIPQVCAI-NTCAYCPXSA-N 412.534 4.295 0 1 HIAF COC(=O)[C@@H]1CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccccc3)[C@H]12 2356390928 MYUACHJYYCBZTB-MRIXIBPMSA-N 414.542 4.244 0 1 HIAF Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 8586208 GZAMBDYBPGLODG-HXUWFJFHSA-N 411.546 4.168 0 3 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 4050850 HYVOCIKAAIMKKV-RTRGAHGLSA-N 408.542 4.425 0 1 HIAF CCCCCCN[C@@H](C)Cc1cc(OC)c(I)cc1OC 26016027 MZSPRYZVGAGGBE-ZDUSSCGKSA-N 405.320 4.409 0 1 HIAF CN1C(=O)[C@@H](Cc2cccc(O)c2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 27073844 XMHKIRGJSAVILC-HXUWFJFHSA-N 406.869 4.176 0 1 HIAF C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 38319849 PZBFWVXPFCYQDZ-HNNXBMFYSA-N 420.550 4.305 0 1 HIAF CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccc(Cl)cc21 73222316 QYLAYPRSSJNQDC-UHFFFAOYSA-N 421.888 4.050 0 1 HIAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4F)C[C@H]23)cc1 95873542 RDEQLRCOXKGDQP-WBXPEXCJSA-N 423.532 4.315 0 1 HIAF CC(=O)O[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccc(Br)cc1 96286437 NYNDDIOBHLATMH-OALUTQOASA-N 400.276 4.129 0 1 HIAF O=c1c(C(c2ccccc2)c2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12 100788497 NKESJWREPJJVKK-UHFFFAOYSA-N 412.397 4.491 0 1 HIAF CC(C)=CCN1CC[C@]2(C)c3cc(O)c(I)cc3C[C@@H]1[C@@H]2C 169365027 BWXORCIRGKQZPT-IRWQIABSSA-N 411.327 4.487 0 1 HIAF Cc1ccccc1[C@H](C[C@H](N=O)c1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1 169730195 ZLQBDFFAZUFHQT-YADHBBJMSA-N 424.522 4.127 0 1 HIAF C[C@@H](CSc1nnc(-c2ccncc2)s1)C(=O)NCc1ccc(Cl)cc1 473083942 POOUOZXTJSCUHM-LBPRGKRZSA-N 404.948 4.298 0 1 HIAF COc1cc(Br)c([C@H](N)c2nc3cc(Cl)c(F)cc3[nH]2)cc1OC 586975984 QVXYVNDBAQMFNE-HNNXBMFYSA-N 414.662 4.183 0 1 HIAF CC(C)CCOc1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2cc1Br 587129693 ZMDPLNZPYBPYJQ-UHFFFAOYSA-N 414.254 4.483 0 1 HIAF COc1nc(C)c(-c2cc3c4c(cccc4n2)CC3)cc1I 587212388 HMJGLZPHDNAZHB-UHFFFAOYSA-N 402.235 4.317 0 1 HIAF C[C@]1(c2ccc3c(c2)OCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351298 UDZHFEWHGVGEDB-LADGPHEKSA-N 419.408 4.137 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCc4ccc(OC)c(Br)c41)[C@@H](C2)C3=O 587417309 LEBORCCPGVVJHR-QKKBWIMNSA-N 415.283 4.446 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCN4CCC[C@H](C)C4)cc1)[C@@H](C2)C3=O 587440469 ZXNWEVPFHVINRV-WZSOFCAESA-N 407.510 4.295 0 1 HIAF CCOC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504002 LNJXETMDRKPMLY-XMMPIXPASA-N 410.441 4.088 0 1 HIAF Nc1c(Br)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539808 KAQVAAXAKGNVLG-OXJNMPFZSA-N 412.239 4.440 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573423 WMCQVGHLJBYKQF-URXFXBBRSA-N 422.408 4.342 0 1 HIAF CC[C@@H](C)c1ccc2[nH]c(-c3[nH]c(C)c(C(=O)OC)c3C)c(C(=O)C(=O)OC)c2c1 587643818 JKXDEYXHPFEDMO-LLVKDONJSA-N 410.470 4.436 0 1 HIAF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](N=O)C2 587739115 FQYASICRKQGASB-WQZPPZBRSA-N 405.267 4.066 0 1 HIAF COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587808493 QJLZXDXTJIYWLX-MLCYQJTMSA-N 408.267 4.007 0 1 HIAF C[C@@H](N)C[C@@]1(c2cccs2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951489 FCXGUQZFYGFMNH-JLTOFOAXSA-N 410.505 4.399 0 1 HIAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(Oc3ccccc3)c2cn1)c1ccccc1 1772622540 HEOLTAOOODMMSS-LJQANCHMSA-N 403.442 4.259 0 1 HIAF CO/C(=C/C(=O)N1C(=O)C=C[C@@H]1C)C/C(=C/Cl)CNC(=O)CCCCC(C)(C)C 1857648889 XXFDGELVIZKSQK-UOEFSQSHSA-N 424.969 4.066 0 1 HIAF CCC[C@H](CO)C[C@@H](O)C[C@@H](CCc1ccc(O)c(OC2CCCC2)c1)OC(C)=O 2356651307 IMARHDCXFVQFGB-TUNNFDKTSA-N 422.562 4.128 0 1 HIAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@@H](COC(=O)CCC(=O)O)[C@]2(C)CCc1ccoc1 2356756827 SENGMOFNXGYJSV-SVLHQOMZSA-N 418.530 4.370 0 1 HIAF CC(=O)OC1=C[C@]2(OC1=O)[C@H](C)CC[C@H]1[C@]2(C)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356839233 LRXVNKHVSMZEPI-OJGDPLIWSA-N 404.547 4.379 0 1 HIAF COc1ccc(OC)c(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)c1 9673245 KPFHONCJPCQEIY-NHCUHLMSSA-N 422.506 4.315 0 1 HIAF O=C(NCc1ccccc1Cl)c1cccn2c(=O)c3c4c(sc3nc12)CCCC4 9677764 CYHYIYJBAWKBFW-UHFFFAOYSA-N 423.925 4.371 0 1 HIAF CCC(=O)Oc1c2c(c(COC(C)=O)c3c(C)coc13)[C@@H](C)C[C@@H](OC(C)=O)C2 13300453 RKEUCAIBENNROK-XHDPSFHLSA-N 402.443 4.101 0 1 HIAF biogenic CCN(CC)C1=NS(=O)(=O)C(Sc2ccccc2)=C1c1ccc(OC)cc1 26292195 GTQJLUFQAFPNQE-UHFFFAOYSA-N 402.541 4.240 0 1 HIAF COc1cccc(CN2N=C(c3ccc(OC)c(OC)c3)[C@@H]3CCCC[C@H]3C2=O)c1 26572264 RLKUDKVBRRKFID-WOJBJXKFSA-N 408.498 4.265 0 1 HIAF COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3ccc(N)c(OC)c3)cc1O2 28710763 FAYFJQBARVBRHD-UHFFFAOYSA-N 404.422 4.018 0 1 HIAF CC(C)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)N1CCCC1 29038118 IXSAAPAZRZURIH-AZUAARDMSA-N 418.603 4.247 0 1 HIAF C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 40424139 YHXFISLYIQPKQL-BWODNOAJSA-N 412.902 4.015 0 1 HIAF Cc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)c(O)c1 84724417 ZZWXZNQWICJMFZ-UHFFFAOYSA-N 405.273 4.488 0 1 HIAF CN(C)[C@@H]1CCc2c(c3cc(F)ccc3n2S(=O)(=O)c2cccc(Cl)c2)C1 95554405 PBWHUGAHLJQFGX-OAHLLOKOSA-N 406.910 4.090 0 1 HIAF C[C@]1(C(=O)O)CCCC[C@@H]1Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F 118096383 SUOGSZSYPIODEX-LIRRHRJNSA-N 403.845 4.258 0 1 HIAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nc(C(F)(F)F)co3)C[C@H]2CS1 146169663 UBFYFJQJWNNVJD-XLIXJNEVSA-N 419.375 4.006 0 1 HIAF O=C(CC1CC1)N[C@H]1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 165884061 YJRHBIXYCUFVQF-QFIPXVFZSA-N 416.525 4.482 0 1 HIAF COc1ccc(-c2nc3n(n2)[C@H](c2ccccc2)[C@H]2C(=O)CCCC2=N3)cc1OC 169689936 MEJJMRUDKSLDOY-NHCUHLMSSA-N 402.454 4.007 0 1 HIAF CNc1nc(Nc2cc(OC)c(-c3nc(C)no3)cc2Cl)ncc1C(F)(F)F 169704350 OVHPMPUZCYNMPP-UHFFFAOYSA-N 414.775 4.301 0 1 HIAF Cn1cnc2cc(-c3cccc(OC[C@H](O)CN4CCc5ccccc5C4)c3)ccc21 218389055 NETFEXKPQFDURR-HSZRJFAPSA-N 413.521 4.038 0 1 HIAF COc1ccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)cc1F 221116859 UIJGGDNFINDZIZ-UOXRKKOCSA-N 408.445 4.147 0 1 HIAF C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1 253634676 UDRQASHQXVJFFN-VSQKUIHHSA-N 410.558 4.029 0 1 HIAF COc1cc(Nc2nc3n(n2)CCC[C@@H]3c2ccccc2)ccc1-n1cnc(C)c1 299833477 OSZMZSCLTXNQBE-LJQANCHMSA-N 400.486 4.450 0 1 HIAF O=C1CCc2cc3nc(C[S@@](=O)C(c4ccccc4)c4ccccc4)[nH]c3cc2N1 586959281 KGDGVGJNTZFBRX-SSEXGKCCSA-N 415.518 4.486 0 1 HIAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(CO)cc3[nH]2)c1C 587166023 QKSREXWGEWXTKX-UHFFFAOYSA-N 421.472 4.391 0 1 HIAF CCOC(=O)C1(c2cc3c4c(cccc4n2)CC3)CCN(C(=O)OC(C)(C)C)CC1 587212335 NKQJNZJUDBNSRZ-UHFFFAOYSA-N 410.514 4.165 0 1 HIAF COc1ccc2c(c1N)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339558 UMYUCRLUKPBJLL-URXFXBBRSA-N 405.425 4.323 0 1 HIAF COC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587524094 JZSSEXVHFAQOEA-RUZDIDTESA-N 417.461 4.040 0 1 HIAF Oc1nc(O)c2ccc(CSc3nc4cc(Cl)c5cccnc5c4o3)nc2n1 587562487 BTBMFKPMLXLCOV-UHFFFAOYSA-N 411.830 4.071 0 1 HIAF CN(C)C(=O)Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572823 RDBCFGSQOOBSLK-KNQAVFIVSA-N 405.406 4.156 0 1 HIAF CC(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587597155 TVJOUFBQLBNOEC-GBXCKJPGSA-N 401.418 4.325 0 1 HIAF CCOC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598473 XUAVBUDUVLLQSS-QPPBQGQZSA-N 420.417 4.037 0 1 HIAF COc1cc(OC)c2c(c1)OCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608443 KZPLOIPYAGGYLR-ZJSXRUAMSA-N 420.417 4.049 0 1 HIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2sc(=O)oc12 587618591 OTZXZDIMNIBFQW-XLIONFOSSA-N 422.414 4.272 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(Br)ccn1 587652960 ABBCBSBFLTUESC-UHFFFAOYSA-N 414.209 4.488 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3[nH]cnc(Cl)c2-3)N1 587703814 HLHOTWJYNLWZRE-RBHXEPJQSA-N 409.690 4.262 0 1 HIAF CN(C)CCOc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587782542 PAUVCVQGZHRUTN-UHFFFAOYSA-N 403.482 4.455 0 1 HIAF Cc1[nH]c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1CCC(=O)O 587788958 AUVZBPWLZVCFHA-ZRNGKTOUSA-N 409.299 4.174 0 1 HIAF COc1ccccc1[C@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587809486 UAGGDCCNCBRXKL-ODXCJYRJSA-N 406.295 4.354 0 1 HIAF CSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)n1 587844670 LVPYKFRAZXFQHD-UHLUBPPHSA-N 402.720 4.377 0 1 HIAF Cc1c(O)nc(N(C)Cc2n[nH]c3ccccc23)nc1[C@@H](C)c1c(F)cccc1F 653736124 OEFYMABYLFVPPB-LBPRGKRZSA-N 409.440 4.433 0 1 HIAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(-c3ccccc3)sc21 1857549978 DIZRGFWLGFNRPM-UHFFFAOYSA-N 420.534 4.089 0 1 HIAF Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC(CN(C)C)C3)cnc12 1911576524 WONOJZQLBKKLIP-CYBMUJFWSA-N 419.360 4.049 0 1 HIAF COc1ccc(CCC(=O)C[C@@H]2CCC[C@@H](CC(=O)CCc3ccc(O)cc3)N2)cc1 2356375944 JGDGIEYGWBIOHI-VXKWHMMOSA-N 423.553 4.395 0 1 HIAF Cc1ccc2nc(C[C@H]3CN(C(=O)Nc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356692756 KHDKJOAEIMFBOG-SJORKVTESA-N 406.486 4.059 0 1 HIAF CC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC)c(C(=O)OC)[nH]c1=S 3963137 BCBMJFOXVMGZGS-LLVKDONJSA-N 403.287 4.425 0 1 HIAF COc1cccc(N2CCN(CCCC[C@]34CCCc5cccc(c53)NC4=O)CC2)c1 13473676 RICXTHKKAYORIJ-SANMLTNESA-N 419.569 4.214 0 1 HIAF OCCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cc(C(F)(F)F)ccc32)CC1 26659631 SBIYOKBEEKCRRW-CTNGQTDRSA-N 408.439 4.031 0 1 HIAF COC(=O)c1sccc1NC(=O)CSc1nccnc1-c1ccccc1Cl 95562875 JUOWGWGNXKORSS-UHFFFAOYSA-N 419.915 4.376 0 1 HIAF Cc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccc(C)cc3)cc2)cc1 100107917 OPHGZUCHEMWURQ-QEIWAGNOSA-N 418.562 4.099 0 1 HIAF CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccccc4)cc3)n2)c(=O)c1=O 101595720 NFYCWRMARFWDOP-UHFFFAOYSA-N 413.481 4.437 0 1 HIAF CC(C)[C@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@@H]12 169307586 LAAZEJPVRHNOIV-GQSCTRQFSA-N 417.962 4.155 0 1 HIAF COC(=O)/C1=C\C=C(\C(C)C)CCC2=CCC[C@](C)(OC2=O)[C@H](OC(C)=O)CC1 169319429 GCDVQIVAHBRSQZ-RLQNTLAVSA-N 404.503 4.196 0 1 HIAF O=C(O)CCCCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1 169333669 UQOCHNHNUVCNPH-UHFFFAOYSA-N 404.466 4.467 0 1 HIAF CC(=O)O[C@H]1CC[C@@H](O)[C@@]23C[C@@H](C[C@H](O/C=C/c4ccccc4)[C@]12C)C(C)(C)O3 238768368 YHIPIHWCMHCVMP-RVHPLUONSA-N 400.515 4.093 0 1 HIAF Nc1ccc(-c2c[nH]c3ccc(-c4cncc(O[C@H]5CC[C@H](N)CC5)n4)cc23)c(F)n1 254103646 VYGDUXRXZUOIMT-SHTZXODSSA-N 418.476 4.057 0 1 HIAF COc1ccc(-c2cn(Cc3ccccc3-n3c(C)nc4ccccc4c3=O)nn2)cc1 299864226 QWTJWGWNHHQPRL-UHFFFAOYSA-N 423.476 4.010 0 1 HIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 586882478 VHGCSHLMJMQYNM-UHFFFAOYSA-N 406.463 4.324 0 1 HIAF CC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586961168 PYVSGLUQIODCTP-WTNAPCKOSA-N 423.538 4.460 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(C(=O)O)c3[nH]1)N2 587030422 DUXMPJKBRVKCTQ-BNDQCTAISA-N 414.512 4.388 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 587079041 FQQBQFUNSIXVMK-AWEZNQCLSA-N 403.269 4.380 0 1 HIAF COC(=O)c1cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2cn1 587138967 YCIICZWCLYPMEB-UHFFFAOYSA-N 409.348 4.055 0 1 HIAF COc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(I)c1 587180479 RJDPEDZFMWFTPI-UHFFFAOYSA-N 419.144 4.257 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc4c(C)c(C)c(=O)oc4c1)[C@@H](C2)C3=O 587454416 UFSWCSSDGITHJQ-AOXIIXCZSA-N 420.461 4.392 0 1 HIAF C[C@@]1(c2ccc(NC(=O)/C=C/C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514941 YODHTAXTYYBCBR-BYUVYSIJSA-N 405.450 4.025 0 1 HIAF O=C1C[C@@]2(CCS(=O)(=O)c3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587532402 QKXXEGSJVRGWDD-OAQYLSRUSA-N 402.899 4.257 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(N2CCOCC2)c1 587558785 UMQNGIIKRGULHJ-XUZZJYLKSA-N 421.424 4.071 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587720400 NJEWPSRNGOIAKK-VXJOIVPMSA-N 406.221 4.447 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587734812 WCVGPYGFBYRPOS-MPBGBICISA-N 424.285 4.458 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C2\Nc3ccccc3C(=O)O2)N1 587791230 JOAPIUTWXCGPAE-UPYQCXTASA-N 417.278 4.462 0 1 HIAF CCN(C(C)=O)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587853058 ORPVSZOWTNNSCQ-FVMDXXJSSA-N 412.328 4.041 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1nc(C(F)(F)F)cc1C 587870488 ALOJOEUSOPHDAI-UHFFFAOYSA-N 410.371 4.342 0 1 HIAF O=C(O)/C(O)=C/[C@@H](O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 653838489 BIGAFYMXEIPXHP-OKPNHQCWSA-N 415.917 4.052 0 1 HIAF CCCc1ccc([C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963149741 QMVSCMMYXZDVGO-IRXDYDNUSA-N 402.516 4.431 0 1 HIAF FC(F)(F)c1cnc(N2CCC[C@@H](NC(=S)Nc3cccnc3)C2)c(Cl)c1 1857613399 CKMJIRLPEIIMRE-CYBMUJFWSA-N 415.872 4.104 0 1 HIAF COc1c2c(cc3c1-c1c(cc4c(c1O)OCO4)[C@H](OC)[C@@H](C)[C@H](C)C3)OCO2 2356553175 QONYZAZOQAUUCL-RMDKCXRXSA-N 400.427 4.041 0 1 HIAF COc1cc(NC(=O)c2cccc3c(-c4cnn(C)c4)coc23)cc(OC)c1OC 61904696 LOHYONMRKZZAAH-UHFFFAOYSA-N 407.426 4.111 0 3 HIAF O=C(c1ccc(F)cc1)C1CCN(CCCOc2ccc3c(=O)ccoc3c2)CC1 3813787 AWTDYHLAOXCWTM-UHFFFAOYSA-N 409.457 4.296 0 1 HIAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccncc3)CC2)cc1 13444633 NQWIESOLCWAUTM-UHFFFAOYSA-N 423.557 4.072 0 1 HIAF C[C@H](O)c1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 13530080 KVVDESNDSYIREX-AWEZNQCLSA-N 412.489 4.045 0 1 HIAF CN(C)C(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 13795581 FLFKTULMQZFHSS-XMMPIXPASA-N 409.489 4.461 0 1 HIAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccccc3N)CC[C@@H]12 26951577 BCKQSIZBCMVWRU-ZGOYAFEQSA-N 407.558 4.121 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(CN(C)C)cc1 27866214 KWUVGOKHEMZHDF-QFIPXVFZSA-N 409.530 4.012 0 1 HIAF O=C(Nc1ccccc1)NC1CCN(CCCC(=O)c2c[nH]c3ccccc23)CC1 27996807 BKCBFHIXBDVYOE-UHFFFAOYSA-N 404.514 4.417 0 1 HIAF COc1ccccc1C(OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C)c1ccccc1OC 28223416 LFECEAWQGOGUJX-HSALFYBXSA-N 413.558 4.434 0 1 HIAF COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(Br)c1OC 28524279 BOPHNGHFAPJZOX-UHFFFAOYSA-N 421.316 4.310 0 1 HIAF C[C@H](CN1CCN(c2ccc(F)cc2)CC1)Nc1nc(C2CC2)nc2ccccc12 29127362 HRIXKFGKXWVPNS-QGZVFWFLSA-N 405.521 4.269 0 1 HIAF CC[C@@H](Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12)c1nc(C)no1 64548696 PBRQNCRJFWIHTN-QGZVFWFLSA-N 420.521 4.037 0 1 HIAF CCN(Cc1ccccc1)C(=O)c1cnc(NCCOC)nc1-c1cccc(C)c1 82147926 QQUFFTYDDXAJQP-UHFFFAOYSA-N 404.514 4.173 0 1 HIAF CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2cc(F)ccc2c1=O 84710563 LVCZHGQNDMEBFL-UHFFFAOYSA-N 413.382 4.318 0 1 HIAF O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 100107905 NPFKLJWHOPQHQD-AZWVFHITSA-N 424.500 4.166 0 1 HIAF CC(=O)OC[C@@]1(O)C[C@]23CC[C@H]4[C@](C)(COC(C)=O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 100777060 OQDCKOUFTOKDOD-CZKQFHQQSA-N 406.563 4.257 0 1 HIAF endogenous,in-man CCOC(=O)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1 117684621 QZYAVJILOBPGHD-UHFFFAOYSA-N 402.458 4.410 0 1 HIAF O=C1Nc2cc(NC(=O)c3c[nH]cc(-c4ccccc4)c3=O)ccc2/C1=C/c1ccc[nH]1 205822996 CACUYAFFURLWME-ODLFYWEKSA-N 422.444 4.115 0 1 HIAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 586936253 IGKLBCFPLGSUCQ-GOSISDBHSA-N 414.918 4.440 0 1 HIAF CSc1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 586945860 MWVVAMKXBZUAEX-UHFFFAOYSA-N 405.526 4.085 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(C)(C)C)nc4[nH]3)CC2)cc1 586954433 IEPPLJJMBIRLQO-UHFFFAOYSA-N 412.559 4.132 0 1 HIAF CC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586961172 PYVSGLUQIODCTP-YHYVQYDKSA-N 423.538 4.460 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2cccc(Br)c2[nH]1)C[C@@H]1CCCO1 587195689 HIOVJNCXXQXUPR-LBPRGKRZSA-N 410.312 4.242 0 1 HIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(Br)c3[nH]2)cc1 587244512 KYLUMFNWTNTAQE-UHFFFAOYSA-N 411.259 4.465 0 1 HIAF CC(C)COc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587275424 AIIXQFTXPMTCIW-UHFFFAOYSA-N 404.260 4.348 0 1 HIAF CCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2C 587341801 XTHHOKSAEPDYEJ-RDGATRHJSA-N 417.436 4.325 0 1 HIAF O=C(O)CC[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350688 XWKGEFSEBABUKQ-GMAHTHKFSA-N 407.397 4.046 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1 587355175 TWLSJWAPBXTDIC-RDGATRHJSA-N 418.420 4.359 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccc(Br)c1)O2 587372882 RRQVVSMPAYHRCH-IBGZPJMESA-N 403.276 4.092 0 1 HIAF CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421395 LMRDACKAYCAHQF-ZUOKHONESA-N 407.249 4.208 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)OC(C)C)c4ccccc14)[C@@H](C2)C3=O 587431467 OZMDVMQNLUZGPT-BXKMTCNYSA-N 405.450 4.090 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)c4cccnc4)c1)[C@@H](C2)C3=O 587431560 HHHVFVMJSUJHDF-YADARESESA-N 400.434 4.005 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1ccc(C(=O)O)cc1)CC2=O 587491477 STRCAVMJJLBSOY-DEOSSOPVSA-N 403.434 4.347 0 1 HIAF C[C@H](C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O 587567125 DVEHQPZPRWDVLM-AQDXNVIQSA-N 422.408 4.499 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614976 DZFJOURUHYDEPY-AUSIDOKSSA-N 406.390 4.185 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(C(=O)O)N1 587735135 PLMMALNVLHOTDI-DXXWUUCVSA-N 408.242 4.255 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCC(=O)N3C)N1 587774566 OJBAETXMXVCLPH-XUSGNXJCSA-N 417.322 4.295 0 1 HIAF COc1ccc(OC)c2c1CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587810547 SWTZAVWOOVKJBL-GIPWTMENSA-N 406.295 4.329 0 1 HIAF CC(=O)Nc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856714 YZCPHSLEJWCIPQ-RBHXEPJQSA-N 412.328 4.109 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(=O)Nc1ccc(F)cc1 587864812 MAHIPDRZIDDRDG-UHFFFAOYSA-N 421.350 4.386 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)CCCN)CC[C@@]43C)[C@@H]1Cc1snnc12 653697070 CVLHWAWRYZJHEC-PTEKMSDPSA-N 417.619 4.245 0 1 HIAF Cn1c(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)o2)nc2ccccc21 963239044 ZPPCXCKBDPHBDL-CVDCTZTESA-N 424.460 4.070 0 1 HIAF C[C@@H](C[C@]1(c2ccccc2F)c2cccc(Br)c2CCN1C)C(=O)O 963282808 XVPMCNQOOLJHTA-RNODOKPDSA-N 406.295 4.431 0 1 HIAF Fc1ccc2c(c1)[C@@H](n1cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c1)CC2 1857766172 GUGUWBOCGPLYEC-KRWDZBQOSA-N 414.366 4.424 0 1 HIAF CC1=C[C@H](CN2CCC(CO)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 2356745876 AYEOUGRRWIBUHQ-YTFSRNRJSA-N 424.589 4.233 0 1 HIAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@@H]1c1cccc(OC)c1 95602701 GLHOFCLVBQGAQJ-LJQANCHMSA-N 416.930 4.227 0 3 HIAF COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H]1CCCC[C@@H]1O 775033 LROLYOMONVFRGO-MSOLQXFVSA-N 410.445 4.190 0 1 HIAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 776997 SBSOVLFLYQOBBW-NSHDSACASA-N 406.816 4.441 0 1 HIAF Cn1cc(C(=O)NCc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2 64527691 RLGXOWWWXWVFHD-UHFFFAOYSA-N 409.493 4.254 0 1 HIAF COc1cccc(OC)c1[C@@H]1[C@@H]2C[C@@H]2C(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258932 VCMQBVOUDONKQG-VCBZYWHSSA-N 407.388 4.322 0 1 HIAF O=C(Nc1cccc2c1CCCC2)c1cc([C@@H]2CCCCN2C(=O)OCCF)on1 61906024 HWZWOUDCMFWGEO-IBGZPJMESA-N 415.465 4.439 0 3 HIAF CC(C)(COc1cnc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2)cn1)C(=O)O 218553622 CIBKPOZRDBRZDV-UHFFFAOYSA-N 424.354 4.181 0 1 HIAF O=S(=O)(Nc1cc(-c2ccc3ncoc3c2)cnc1Cl)c1ccc(F)cc1 72179242 KGYDMLAVYYPELU-UHFFFAOYSA-N 403.822 4.483 0 1 HIAF O=C(Nc1cccnc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1 84653225 RNLGICBUTDKAAL-UHFFFAOYSA-N 401.514 4.090 0 1 HIAF CC1CCN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc(F)cc3)n2)CC1 82140946 QRFOLRRMMJCOKT-UHFFFAOYSA-N 404.489 4.449 0 1 HIAF CC(C)(C)OC(=O)NCc1noc(-c2nn(CCc3ccccc3)c3ccccc23)n1 40875867 IAWYWTLOFCLKQK-UHFFFAOYSA-N 419.485 4.354 0 1 HIAF COC(=O)C1=C(c2cnc(-c3cccc(Br)c3)s2)C[C@H]2CC[C@@H]1O2 84604076 JZUOHICLNJQBTJ-OCCSQVGLSA-N 406.301 4.451 0 1 HIAF CCCCS(=O)(=O)N1CCCc2nc(-c3ccc(Br)cc3)ccc21 199724953 VDODOWJKHQKWHD-UHFFFAOYSA-N 409.349 4.394 0 3 HIAF O=c1ccc2ccc(OCc3cn(Cc4cccc(C(F)(F)F)c4)nn3)cc2o1 653705961 GRESFLAPMUQSKX-UHFFFAOYSA-N 401.344 4.031 0 1 HIAF C[C@]1(Cn2nnc3ccccc32)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342728 PKSWCSDYOURINY-FYYLOGMGSA-N 403.413 4.094 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(CCC(=O)c1ccc(C)s1)O2 587409565 IEZHBWDIJVJULC-NRFANRHFSA-N 401.484 4.179 0 1 HIAF CCOc1cc2oc(=O)c(-c3nc4nccc(C)c4[nH]3)cc2cc1Br 586999540 GGPHTWGZBLCQOA-UHFFFAOYSA-N 400.232 4.201 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCN(C)C)N1 587738798 CZWRRRDIQFEPIG-XCLFUZPHSA-N 407.327 4.152 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(Br)s1)O2 587409776 JNWFSYDJBVUNAY-DKFQHHCZSA-N 407.333 4.337 0 1 HIAF O=[S@@](CCCc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 586959655 LELSUWVGGKMEMK-DEOSSOPVSA-N 417.250 4.483 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 586948436 IEZNOTJRZLJWAS-FQEVSTJZSA-N 421.482 4.063 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)OC(C)(C)C)CC2)N1 587770779 UMFYZUAMDZARHH-GFCCVEGCSA-N 413.331 4.349 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(N)c(C(=O)OCC)c1C)CC2=O 587491101 IGNROFYKLFPHKX-OAQYLSRUSA-N 403.500 4.354 0 1 HIAF COc1ccc(-n2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 587757792 HULQQXADOBYPMM-MPBGBICISA-N 416.294 4.406 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C(F)(F)C(F)(F)F)CC2=O 587461907 NYKTYWYWDBDFBR-INIZCTEOSA-N 410.335 4.200 0 1 HIAF CC(C)CCn1cccc1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963138874 IOOXVIRTZGXGGR-IAGOWNOFSA-N 419.547 4.327 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@@]3(c4ccccc4COc4cc(F)ccc43)c3cccc1c32 963025074 JJLSGFVCUUKUKS-PUAOIOHZSA-N 400.453 4.063 0 1 HIAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1CN(C(C)C)C(C)C 962919551 JNLWNVRSMHCJOZ-GMAHTHKFSA-N 414.521 4.141 0 1 HIAF COc1c(Cl)cccc1[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962703387 IRXNOYUWVPUACL-HUUCEWRRSA-N 403.759 4.195 0 1 HIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2nc3ccc(F)cc3[nH]2)N1 963181713 HFKTZYHLEVAPHG-DOMZBBRYSA-N 413.758 4.063 0 1 HIAF Clc1ccc(C2=NO[C@H](CN3CCN(c4nsc5ccccc45)CC3)C2)cc1 1772582164 RPDCHZKZAVRDMM-KRWDZBQOSA-N 412.946 4.265 0 1 HIAF O[C@@H](CCN1CCN(c2cccc3c2OCO3)CC1)c1csc2ccc(F)cc12 13491150 ORGSQSTZLGJRRN-IBGZPJMESA-N 414.502 4.015 0 1 HIAF Cc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)cc1 13740951 HUUWRVJBRKRKHX-VWLOTQADSA-N 400.430 4.122 0 1 HIAF C[C@H](NC(=O)c1cccc(F)c1)c1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1 1857550123 ZJHRLUFVIWEFEM-INIZCTEOSA-N 418.472 4.343 0 1 HIAF Cn1c(=NC[C@H]2CCCO2)[nH]c2cnc(-c3cccc(Oc4ccccc4)c3)cc21 1857598152 LSGWRBLQHUAGJF-HXUWFJFHSA-N 400.482 4.440 0 1 HIAF COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCc3c([nH]c4ccccc34)C2)cc1 1857774215 ZYRVSTALVPMOJZ-QFIPXVFZSA-N 416.529 4.066 0 1 HIAF CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)cc1 4224876 JWBFTMKKFBWRNM-GDLZYMKVSA-N 411.502 4.324 0 1 HIAF Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCC3 13488019 HKELRUMBUSUQHV-FYYLOGMGSA-N 407.533 4.385 0 1 HIAF C[C@H](CC(=O)C(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820897 YRDDZRGJIYRFQD-OWRWMAFVSA-N 402.531 4.073 0 1 HIAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 40374318 GFWKHLGNTRIBOR-MKXVQTBNSA-N 412.574 4.275 0 1 HIAF CCCC[C@@H](CC)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(Cl)c(F)c2)C(=O)O1 40829543 ZNLUECRWFKKEBI-WVDUVTCCSA-N 412.885 4.300 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(OCCCN2CCOCC2)c1 40859804 HVUZUUHHWJUMRL-UHFFFAOYSA-N 423.435 4.451 0 1 HIAF CN1C[C@@H](c2ccc(F)cc2)[C@@]2(Cc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 40974231 PUQRRHKCFVFSMP-RMUDUWAUSA-N 412.464 4.128 0 1 HIAF CCO[C@@H](Cc1ccc(OCCN2CC=C(c3ccc(CC)cc3)CC2)cc1)C(=O)O 45505935 CRGMTMNRXFVMLF-VWLOTQADSA-N 423.553 4.449 0 1 HIAF CC1(C)CCN([C@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)C(=O)c2cnn(C3CCCCC3)c21 101668492 HKFKIRVNMWCAKD-SFOZYMDOSA-N 411.590 4.451 0 1 HIAF O=C(NC1CCCCCC1)c1ccc(CNc2c(NC3CCCCC3)c(=O)c2=O)cc1 102374025 UVKMQMWYCSFGSE-UHFFFAOYSA-N 423.557 4.092 0 1 HIAF Cc1nc2cc(-n3ncc(C(=O)c4cc5c(OC(C)C)cccc5[nH]4)c3N)ccc2[nH]1 149914248 KTZAXOPOMIBTDN-UHFFFAOYSA-N 414.469 4.139 0 1 HIAF CCC1C[C@H]2C(=O)[C@H](C1)[C@H](c1ccc(O)c(OC)c1)N[C@H]2c1ccc(O)c(OC)c1 195520824 DJQKXCZAWGHYAP-AFXFGAOOSA-N 411.498 4.122 0 1 HIAF COc1ccccc1-c1nc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)ccc1OC 203324670 XUVJCQJSKVDMEY-IBGZPJMESA-N 420.465 4.020 0 1 HIAF CN1C(=O)[C@H](c2c(Cl)cccc2Cl)Cc2c(N)nc(Nc3ccccc3)nc21 299822435 AHGSDSGHEDXXDI-LBPRGKRZSA-N 414.296 4.412 0 1 HIAF Cc1ccc(-c2nnc(SCc3nc4cncc(Br)c4[nH]3)n2C)cc1 586965095 KEMUTFOYHUGVMX-UHFFFAOYSA-N 415.320 4.117 0 1 HIAF Brc1cc2c(cc1/C=C/c1nc3c(Br)ccnc3[nH]1)OCO2 586998598 LQBLYOCQGDMNPK-OWOJBTEDSA-N 423.064 4.382 0 1 HIAF FC(F)(F)c1nc(Cl)nc2nc(-c3cccn4c(Br)cnc34)[nH]c12 587006562 HAZKHRYKJJSNNV-UHFFFAOYSA-N 417.576 4.102 0 1 HIAF CS(=O)(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587043225 JHJNOXSHWGQUGB-UHFFFAOYSA-N 406.554 4.024 0 1 HIAF Nc1ncc(-c2nc3ccc(Br)c(O)c3[nH]2)c(-c2ccccc2Cl)n1 587060870 PMDGIDHQLCUKDJ-UHFFFAOYSA-N 416.666 4.391 0 1 HIAF Cc1cnc(Cl)c2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c12 587064303 PGTXHXXPIUWTRK-UHFFFAOYSA-N 415.280 4.481 0 1 HIAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)n1 587079199 HXUKDQCGKFDPHX-LBPRGKRZSA-N 409.943 4.081 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@H](C(=O)O)[C@H]2CC3)c1 587363594 QZIXZHXPSCUGMU-HOSQHVHZSA-N 414.461 4.359 0 1 HIAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCC(=O)O 587520497 DDZQLTPXFYPNFS-DEOSSOPVSA-N 410.466 4.308 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cnccn2)s1 587614140 RHPYITDXKSQECO-XLIONFOSSA-N 403.419 4.009 0 1 HIAF COc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587739943 IRDVNQYQUXFBOQ-SONCAPNISA-N 419.338 4.450 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccco2)(c2ccco2)N1 587830761 UMBNQVRLZOYEPE-WLRWDXFRSA-N 404.235 4.435 0 1 HIAF CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1c[nH]cc(Br)c1=O 587941802 RICYTKXNHGTMOA-UHFFFAOYSA-N 403.276 4.478 0 1 HIAF c1ccc(CN2C[C@@H]3COC[C@H](C2)C32NCCc3cccc(-c4ccccc4)c32)cc1 962662011 IRBHUDOYQIIXND-GYKVFZPVSA-N 410.561 4.473 0 1 HIAF CCOC(=O)c1cccc([C@@]2(C(C)(C)CC)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962900569 RNKPQTPNNRGXRK-YADARESESA-N 413.489 4.281 0 1 HIAF COc1cc(OC)c2c(C)c([C@]3(C)NC[C@@H]4CC(=O)N(C)c5cccc3c54)oc2c1 963017994 DJMWIJLTJPVLBU-LFPIHBKWSA-N 406.482 4.075 0 1 HIAF CC(=O)C[C@@]1(c2ccsc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184083 PXPBZQMOOYELGH-RDJZCZTQSA-N 417.836 4.242 0 1 HIAF O=C1c2ccccc2[C@@]2(NCCc3ccc(O)cc32)[C@@H]1c1nc2ccc(Cl)cc2[nH]1 963354959 ZMNVJKPDSKOOQL-URXFXBBRSA-N 415.880 4.291 0 1 HIAF CCCNC(=O)c1cc2c(cc1OC)[C@@]1(C)Cc3cnc(C)nc3C(C)(C)[C@@H]1CC2 1857542279 WVPOYOUBCOMVDP-SQJMNOBHSA-N 407.558 4.287 0 1 HIAF CCc1nc2c(Cl)cccn2c1C(=O)NCCOc1ccc(Br)cc1 1857564246 COIXMBAQHJZCIU-UHFFFAOYSA-N 422.710 4.121 0 1 HIAF CCOC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 1857616086 RPQFRZDAYLTSOM-GOSISDBHSA-N 414.458 4.029 0 1 HIAF Cc1cc(F)ccc1-c1cccn2[nH]c(=N[C@H]3CCc4c(cnn4CC(C)C)C3)nc12 1857751778 ASBIYGBMBQYECQ-IBGZPJMESA-N 418.520 4.088 0 1 HIAF O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)C(=O)C2)c1cccc(Cl)c1 1857763883 HWQNLRVXPNDUKY-UHFFFAOYSA-N 404.853 4.317 0 1 HIAF CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)C1 1857772506 KXZOOCOYSSYATR-NRFANRHFSA-N 404.493 4.196 0 1 HIAF CC(=O)c1ccc(-c2nnc(CCC(=O)N(C)Cc3cccc4cnccc34)o2)s1 12073135 XQSZOBRMBRNFST-UHFFFAOYSA-N 420.494 4.140 0 3 HIAF CCN1C(SCc2nc(-c3cccs3)no2)=NN/C1=C1\C=Nc2ccccc21 104013168 ZCWRKIJOJCLMAW-AQTBWJFISA-N 408.512 4.312 0 3 HIAF CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC(C)(C)CO)c1 773694 NUAAOLXISKAAIF-UHFFFAOYSA-N 412.461 4.295 0 1 HIAF COc1cccc(OC)c1C1=NCC(=O)Nc2c1oc1ccc(Br)cc21 2485546 JXRJQDLLAXFTQZ-UHFFFAOYSA-N 415.243 4.002 0 3 HIAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccc(C)cc3)cc2)cc1 100109552 OPHGZUCHEMWURQ-LNWKWYTESA-N 418.562 4.099 0 1 HIAF CCOC(=O)Sc1nc2cc(-n3nc(C)n(C(F)F)c3=O)c(Cl)cc2s1 103196872 GLKJJVCXLCRGMA-UHFFFAOYSA-N 420.850 4.249 0 1 HIAF O=c1[nH]ccc2cc(OCCCN3CCN(c4cccc5sccc45)CC3)ccc12 115091497 KFNYOATUSDCRLT-UHFFFAOYSA-N 419.550 4.334 0 1 HIAF CCOc1ccc(/C=C/C(O)=C2\C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1OC 102603057 KVAQMYGBORMBRI-PKMJHRBESA-N 407.466 4.332 0 1 HIAF CC(=O)N1C[C@@H]2C[C@@H]1CN2Cc1coc2cc(Oc3nc4cnccc4s3)ccc12 101656211 FCVJBHCSSQVABJ-JKSUJKDBSA-N 420.494 4.035 0 1 HIAF COC(=O)N1C[C@@H](C(=O)OC(C)(C)C)[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 26145511 KBPCDSUDLQCWON-ZWKOTPCHSA-N 419.518 4.140 0 1 HIAF OC[C@H]1CCCN1CCc1ccc(C2=CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1 29128048 CNPAPCMIYUFOOZ-SLQPCKNISA-N 402.582 4.221 0 1 HIAF CC(=CC=C1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@@]3(C)[C@@H](O)O[C@@H](C[C@@]1(C)O)[C@H]23 2356462741 CHBIIBKSFYKBAE-NDLLJTNRSA-N 416.558 4.401 0 1 HIAF CC1=C[C@H](CN(C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356776375 GTRKTYQMKVSSCI-NSHGMRRFSA-N 401.526 4.197 0 1 HIAF CCN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 64373440 LAJBNNODGAWTQL-INIZCTEOSA-N 401.528 4.058 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccccn2)C1 218507564 ADGZMOOKPVHQKD-UHFFFAOYSA-N 406.795 4.138 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(F)c(F)c4)ncc23)ccn1 219761071 KOCXRWPBRHJLCK-GFCCVEGCSA-N 408.412 4.489 0 1 HIAF COc1ccc(C(=O)[C@@H]2C[C@H]2CN2CC=C(c3c[nH]c4ccc(OC)nc34)CC2)cc1 45187456 FSKWYDPPJOVLNC-AZUAARDMSA-N 417.509 4.188 0 1 HIAF Cc1nc(-c2cc(C(=O)N3CCC(c4ccc5nncn5c4)CC3)ccc2C)c(C)[nH]1 220781373 JCGBDGPWPOYJSW-UHFFFAOYSA-N 414.513 4.064 0 1 HIAF COc1oc(=O)c2cc(NC(=O)C[C@H](CC(=O)O)c3ccccc3)ccc2c1Cl 40465811 MRUHKADDNPNMRA-CYBMUJFWSA-N 415.829 4.042 0 1 HIAF Cc1cc(C(=O)O)nn1Cc1cc(Br)ccc1OCc1ccc(F)cc1 40568477 GZOHLDYEXZLRSH-UHFFFAOYSA-N 419.250 4.419 0 1 HIAF COc1cc(OC)cc(-c2nc3ccc(-c4nc5ccc(C(=N)N)cc5[nH]4)cc3[nH]2)c1 42922782 BBTSITXYNDNJBU-UHFFFAOYSA-N 412.453 4.074 0 1 HIAF O=S(=O)(c1ccccc1)N1CCC2(CC1)O[C@H](c1ccccc1)c1ccccc12 142032509 BHAJHNUHYDNWSX-HSZRJFAPSA-N 405.519 4.486 0 1 HIAF Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1[nH]c(CO)nc1C 142883760 JTSSBNRKPJVKHB-UHFFFAOYSA-N 414.509 4.077 0 1 HIAF CCN1CCC(F)(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1 96175096 RYSAKMOLNKFGCG-UHFFFAOYSA-N 405.477 4.147 0 1 HIAF COc1ccc(CCOc2cc(C3=NN(C(C)C)C(=O)C3(C)C)ccc2OC)cc1 95555178 ZISXSDNULHNXTK-UHFFFAOYSA-N 410.514 4.306 0 1 HIAF CN(C)c1ccc(Nc2ccc(S(=O)(=O)NCC3CC3)c(C(F)(F)F)c2)cc1 145600957 FZBSMUMVTFFTFV-UHFFFAOYSA-N 413.465 4.203 0 1 HIAF C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccc4c(c3)OCCO4)nn12 96284617 FSMJOBXAIHKUIL-HNNXBMFYSA-N 409.449 4.263 0 1 HIAF O=C(Nc1cc(Br)ccn1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 95578543 GFPGWHOCRYTVLL-AWEZNQCLSA-N 401.264 4.169 0 1 HIAF CC(C)N1CCN(c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1 653773141 GYUDLOMBZNPLEN-UHFFFAOYSA-N 413.525 4.299 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Br)cn1 587653454 HRCNLRVYJXBNGE-UHFFFAOYSA-N 414.209 4.488 0 1 HIAF NC(=O)Nc1cccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 587242063 MHIXKGHXGMQGFH-UHFFFAOYSA-N 410.069 4.246 0 1 HIAF Oc1nc(O)c2ccc(-c3ccc(OCc4ccc(Br)cc4)cc3)nc2n1 587366776 QHLSBFMNBOXLSC-UHFFFAOYSA-N 424.254 4.445 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1ccnc1)c1cccc(F)c1 587572054 QWGMJDSTIALULU-URXFXBBRSA-N 416.408 4.285 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587802540 MRAMAISXLUFSFB-DGIBIBHMSA-N 417.278 4.480 0 1 HIAF COC(=O)C1C[C@@H]2CCC[C@H](C1)C21N[C@@H](C)Cc2cc(Br)c(F)cc21 587805561 HNHSAFVHFGKNCJ-WCLSURKFSA-N 410.327 4.317 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=S)N(C)C)c2)N1 587844937 PNGWLIZNLBPZGE-ADLMAVQZSA-N 423.351 4.437 0 1 HIAF NC(=O)Nc1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 587242650 WRWDSVFHKAXYGD-UHFFFAOYSA-N 410.069 4.246 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3ccc(OC)cc3[nH]2)[C@H]1c1ccccc1Cl 587063251 RCYANXINTJPVOW-HRAATJIYSA-N 413.905 4.319 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(c2nccn2C)N1 587727249 NCSUCYZWLBSZLQ-MPBGBICISA-N 418.285 4.287 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(C(N)=O)CC[C@@]2(C)C3(C)C)N1 587747281 LLEZDJSDKVORTB-BSWYJSDQSA-N 409.343 4.019 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587720398 NJEWPSRNGOIAKK-AYVTZFPOSA-N 406.221 4.447 0 1 HIAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(O)cc3[nH]2)C[C@H](C)O1 586968386 NVOVOLVUERZXSF-KBPBESRZSA-N 421.526 4.118 0 1 HIAF CCn1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587708937 GJCVVFXCVGXIPG-FVMDXXJSSA-N 420.248 4.453 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)sc3c2CCOC3)N1 587857294 ZNRJISORBBOTSU-DYBLOJMWSA-N 411.340 4.102 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1cc(OC)c(OC)cc1OC)CC2=O 587476839 GNWFGKMVCUNVPQ-HSZRJFAPSA-N 400.471 4.337 0 1 HIAF c1cncc(CN2CCc3sccc3[C@H]2c2c[nH]nc2-c2ccc3c(c2)OCO3)c1 962995658 GQAAVRYPMLKAFE-QHCPKHFHSA-N 416.506 4.410 0 1 HIAF CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12c1c(ccc(OC)c1OC)C[C@H](C)N2C 962623491 KKGDTGQERFFOQG-MIVVTYSHSA-N 403.563 4.411 0 1 HIAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2ccccc2OCCN2CCOCC2)cc1 962658458 CQJFZXWFSAJACX-MHZLTWQESA-N 414.549 4.300 0 1 HIAF C[C@H]1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1 13488946 YGINOVSNROOLQF-FQEVSTJZSA-N 408.542 4.079 0 1 HIAF O=C(Nc1ccc(Oc2ncnc3n[nH]cc23)cc1)Nc1nc2ccccc2s1 1857534656 WXZGONTUBNGGBA-UHFFFAOYSA-N 403.427 4.399 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 4153274 VWBKPQDPJVWQRS-GGAORHGYSA-N 422.456 4.268 0 1 HIAF COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)Oc4ccccc4)C3)C2)cc1 4237976 HXHBDOZQTFRFRS-QHCPKHFHSA-N 409.486 4.214 0 1 HIAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl)N1CCOCC1 4296606 FPFJPAVQGKFFSO-IEBWSBKVSA-N 423.271 4.083 0 1 HIAF O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCn2c1nc1ccccc12 6744986 LJGMZJJVKADZIF-UHFFFAOYSA-N 407.429 4.470 0 1 HIAF Cc1cccc(Cl)c1Nc1nc2cc(N3CCN(C)CC3)ccc2n2cncc12 13860337 KFXDFKOIKVEJBQ-UHFFFAOYSA-N 406.921 4.340 0 1 HIAF CCOC(=O)c1[nH]c(Br)c(-c2ccc(OC)cc2)c1Br 29124384 HXXFXLQAPQTLOP-UHFFFAOYSA-N 403.070 4.392 0 1 HIAF CCCCC[C@@H](O)/C=C/C=C/c1ccccc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC 29127615 RASMAMZCWAXVOV-CEWOBFFHSA-N 416.558 4.276 0 1 HIAF O=C(O)c1cc(CN2CCc3ccccc3[C@@H]2c2ccccc2)c2ccccn2c1=O 66074859 FKGRSMZFPMYWLA-DEOSSOPVSA-N 410.473 4.145 0 1 HIAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(CCN3CCOCC3)C[C@@H]21 73159714 OQOGMEFNRHFVDB-TXPKVOOTSA-N 421.507 4.117 0 1 HIAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NCCCc3ccccc3)c2cc1OC 82132072 DSUBEPYUOPTAEE-SFHVURJKSA-N 422.529 4.283 0 1 HIAF Cc1cccc(NC(=O)c2ccc(N3CCc4cc(OC(C)C)ccc4C3)nc2)n1 95587912 CDXFPLNJOMIDLY-UHFFFAOYSA-N 402.498 4.387 0 1 HIAF CCC/C=C\C/C=C\CCCCC[C@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 96094952 CPHHQDCIGLXPCO-QXNHBNDMSA-O 412.591 4.083 0 1 HIAF in-vitro CCCCN1CCC[C@H]1C(=O)Nc1ccc(Br)cc1Br 96927487 FGRLXQYNWYCKOG-AWEZNQCLSA-N 404.146 4.415 0 1 HIAF COc1ccc2c(OCc3nnc4c(F)cc(-c5cnc(C)s5)cn34)ccnc2c1 139846311 IAODRBSFNMKRPP-UHFFFAOYSA-N 421.457 4.436 0 1 HIAF CS(=O)(=O)c1ccc(-c2ccc3ncc(-c4ccc(C(F)(F)F)cc4)n3n2)cc1 169306699 KPENYGKVVXWDRV-UHFFFAOYSA-N 417.412 4.486 0 1 HIAF O=S(=O)(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2)N1CCOCC1 261133506 LPXBZYACXYOFTH-GKUMMSIHSA-N 424.566 4.004 0 1 HIAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc3ncccc3c2[nH]1 586953425 OHLHUQMPJSIEJJ-UHFFFAOYSA-N 407.480 4.035 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(-c3sc([C@@H](C)OCC)nc3C)[nH]c2c1 587013693 BIYYTYLRIYUBJS-CYBMUJFWSA-N 422.576 4.171 0 1 HIAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccccc4[nH]3)ccc2s1 587034203 RBFWYTUFTJOATI-UHFFFAOYSA-N 409.467 4.110 0 1 HIAF CCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587400118 NRFYYVNCOZNCIU-HSZRJFAPSA-N 413.470 4.100 0 1 HIAF COc1cc2c3c(c1)OC1(CCN(c4ccc(Br)cc4)CC1)[C@@H](C2)C3=O 587419174 TYHDNUPZPCAJAC-KRWDZBQOSA-N 414.299 4.244 0 1 HIAF CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@]1(CO2)CC(=O)c2ccc3c(c2O1)CCCC3 587519115 UQHKPHQPKUPNSE-ZEQRLZLVSA-N 413.514 4.069 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557047 LGVWJIOIHOFBSJ-YKSBVNFPSA-N 422.408 4.260 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3ccc(C)cc3)[nH]c2c1 587565911 WYPOWEJNUBAZQH-UHFFFAOYSA-N 423.494 4.260 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598876 CBOADOOIERULHD-QPPBQGQZSA-N 404.418 4.213 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(C(=O)O)N1 587693961 FRSJVQPCWNWLPN-MLCYQJTMSA-N 412.686 4.298 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccc4c3n(c2=O)CC4)N1 587790834 JCRXFVNQERQKNF-JEOXALJRSA-N 413.290 4.083 0 1 HIAF CCOc1nc2sccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587858107 XYLVDEWJIJMEMP-LKFCYVNXSA-N 410.312 4.320 0 1 HIAF C[C@@H]1C[C@H](N)[C@@]2(N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccccc21 963186499 UEJLIHWIVPADCE-XXGZNAFDSA-N 424.850 4.036 0 1 HIAF CC(C)(C)OC(=O)N1CCc2ccc([C@@]3(C)NCCc4ccc(O)cc43)cc2CC1 963329342 MJAMPTUHTVRVDL-RUZDIDTESA-N 408.542 4.137 0 1 HIAF Fc1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1C(F)(F)F 1772606961 MCMPJYQAPIBEKN-UHFFFAOYSA-N 418.398 4.143 0 1 HIAF Fc1cc(F)c(Nc2nc3nonc3nc2Nc2c(F)cc(F)cc2F)c(F)c1 1857620007 VCGUICZNECPATK-UHFFFAOYSA-N 412.253 4.335 0 1 HIAF C[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 1857636888 ZNZKFGNGMCSJIF-IAGOWNOFSA-N 416.587 4.412 0 1 HIAF Cc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2-c2ccccc2)cc1 1857764555 HCRBXHUWIKZWJX-GYHWCHFESA-N 421.547 4.394 0 1 HIAF C[C@H](C(=O)Nc1ccc(Cl)nc1)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2 1911573172 DYIXQHVKESJCNY-ASVYPPMBSA-N 404.297 4.316 0 1 HIAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCC=CC(=O)O)[C@@H](O)C[C@H]1O 2356388976 BEKLYIAFACFFDO-IIZPIQPGSA-N 400.556 4.182 0 1 HIAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCC=CC(=O)O)[C@@H](O)C[C@@H]1O 2356388978 BEKLYIAFACFFDO-XWUOBKMESA-N 400.556 4.182 0 1 HIAF COc1ccc([C@H]2C[C@](O)(c3ccccc3)Oc3cc(OC)c(OC)c(OC)c32)cc1 13661793 IYDPIEGDRKLHSY-KBMIEXCESA-N 422.477 4.481 0 3 HIAF C[C@]1(C(=O)NCc2cccc(OC(F)(F)F)c2)CON=C1c1ccc(Cl)cc1 768969 YHCYWYLZLGWCDI-SFHVURJKSA-N 412.795 4.296 0 1 HIAF O=C(OCC(=O)N1CC[C@H]2CCCC[C@H]2C1)c1ccccc1C(=O)c1ccccc1 7097087 CYIDXEYRUJHRHM-QUCCMNQESA-N 405.494 4.113 0 1 HIAF biogenic C[C@@H](c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 22939231 TURYEXIBCHPDSK-FQEVSTJZSA-N 414.557 4.060 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@]2(C(=O)O)CCCCO2)nc1 34717780 NODVIYUFBGWXDK-DEOSSOPVSA-N 422.481 4.233 0 1 HIAF CC(C)N(Cc1cccc(Cl)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40405844 KSLHQAFNTOJZAB-OAQYLSRUSA-N 420.891 4.008 0 1 HIAF Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@@H]2CCCN(C3CCC3)CC2)cc1 40938799 QILACADJNNDLKC-OAQYLSRUSA-N 403.526 4.480 0 1 HIAF O=C(c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)N1CCCN(C2CC2)CC1 53247040 HUDFUERWOWRKLR-UHFFFAOYSA-N 406.313 4.491 0 1 HIAF O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)c1ccccc1 84616449 ZCHYBMZXJGWTPA-UHFFFAOYSA-N 405.502 4.277 0 1 HIAF CNc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 96933199 ZKBRUBZCHQISOA-UHFFFAOYSA-N 404.179 4.349 0 1 HIAF COc1cccc(-c2[nH]c(C(=O)NC[C@@H]3CCCO3)cc3c4ccccc4nc2-3)c1 102434390 KMAREPQCUSHBQE-KRWDZBQOSA-N 401.466 4.252 0 1 HIAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)C[C@@H](C)NCc1ccccc1 114099244 MZXDEHVXSCJFOD-HXUWFJFHSA-N 410.558 4.401 0 1 HIAF CCCN/C=C1\N=C2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3N2C1=O 169319677 MQXRQTOBXBQPHE-BOPFTXTBSA-N 413.308 4.431 0 1 HIAF CC(C)C1=C[C@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@@H](C(=O)O)[C@@H]3C(=O)O 195404938 PXYRCOIAFZBLBN-CAYAPVGKSA-N 418.530 4.298 0 1 HIAF Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCOCC2)cc1Cl 201539936 HPMGSEIYYROAGV-UHFFFAOYSA-N 420.893 4.005 0 1 HIAF CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl 261073925 ANTQABLYJVOFNU-OZVIIMIRSA-N 405.919 4.008 0 1 HIAF O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)cc1 299836549 NOJLTMKHIVSHFR-LJQANCHMSA-N 415.921 4.138 0 1 HIAF Cc1cc(C)nc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2c(C)noc2-c2ccccc2)n1 473180314 LJMLCMQJTFXPIW-VAMGGRTRSA-N 418.497 4.129 0 1 HIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587114424 UDPHVESCXDEZRZ-LBPRGKRZSA-N 411.449 4.178 0 1 HIAF CS(=O)(=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587157568 AKEHLPLDSSEICA-UHFFFAOYSA-N 406.442 4.111 0 1 HIAF O=C(O)CC[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337650 MFRIWGBUJOAGKK-FYYLOGMGSA-N 407.397 4.046 0 1 HIAF CN(C)CC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341524 XXMAOPQLOFYNQC-ZCYQVOJMSA-N 421.468 4.443 0 1 HIAF O=C(O)c1coc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356722 RAQNLCKGVJZRKG-CVDCTZTESA-N 408.381 4.413 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3ccc(Cl)cc32)N1 587703763 ZUMBOLBEIINPQI-NIVTXAMTSA-N 410.670 4.329 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)([C@H](C)CC(=O)O)N1 587743361 DNRLSHKWSHHSQO-FKANQGBASA-N 421.310 4.059 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(CNC(=O)OC(C)(C)C)C2)N1 587755831 PLYHSAQDZPBLKB-KMXRQWDNSA-N 413.331 4.252 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(C2CCOCC2)N1 587770674 BARUAIHHSZJDBQ-XCLFUZPHSA-N 405.311 4.188 0 1 HIAF CCOC(=O)Cc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794865 HTVYTCUNXDFYJC-ZSEKCTLFSA-N 420.322 4.492 0 1 HIAF COC(=O)[C@@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587809153 QXNFEJHBKYSBOS-XCLFUZPHSA-N 406.295 4.124 0 1 HIAF Oc1cc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)ccc1I 963103611 LRRSPWQYLROPDI-SCLBCKFNSA-N 409.242 4.246 0 1 HIAF Cc1ccc2nc([C@@]3(C)N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)[nH]c2c1 963199943 WOOKHSQKSCSNTC-LIRRHRJNSA-N 423.822 4.406 0 1 HIAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)ssc2=O)cc1N 1772616248 HSLBMUSZJBNNSA-UHFFFAOYSA-N 405.497 4.120 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@@H]1c1ccc(F)cc1Cl 1857761007 CZLRFSSLMMEEPK-MRXNPFEDSA-N 405.882 4.350 0 1 HIAF CC(=O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@]35CC[C@]12C 2356736713 KLLPYPVHEZFPAN-SIZNZTJGSA-N 415.618 4.254 0 1 HIAF O=C(Nc1ccc(Cl)c(Cl)c1)N(CCCN1CCOCC1)Cc1cccnc1 20685547 BHAPITSBJSBXKS-UHFFFAOYSA-N 423.344 4.145 0 3 HIAF CCOC(=O)C1=CC[C@H](c2ccc(CC)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 72141741 JAYGVJXFNIJPGV-JOCHJYFZSA-N 413.539 4.183 0 3 HIAF Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 858121 OQFUQWMATGLQKU-CQSZACIVSA-N 407.333 4.371 0 1 HIAF CC(C)[C@H](N)C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 28826995 NELPQJZODQQQDO-UXHICEINSA-N 402.431 4.269 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 29547812 WBKUGLSQIBUQEW-WZLHXHBKSA-N 419.565 4.437 0 1 HIAF NC(=O)c1cccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 35323435 ZVLZXKASUVGEOJ-UHFFFAOYSA-N 404.510 4.271 0 1 HIAF Cc1c(C(=O)O)c(C(=O)NC2CC2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 38991249 CYOLQORIXQZGPJ-UHFFFAOYSA-N 422.190 4.097 0 1 HIAF Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cncnc1 40394287 RITKUWAOEQBXTJ-UHFFFAOYSA-N 400.360 4.308 0 1 HIAF CCOc1ccc(NC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 45260721 LLWJOWHWGDLMRK-UHFFFAOYSA-N 400.438 4.238 0 1 HIAF COc1ccc([C@H]2C3=C(COC3=O)Nc3onc(-c4ccc(Cl)cc4)c32)cc1O 71319217 AQCKEGOIHCCDSJ-INIZCTEOSA-N 410.813 4.078 0 1 HIAF Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CCC3)C2)cc1 72124465 AIYLLDBNJZOQLD-JOCHJYFZSA-N 402.542 4.092 0 1 HIAF COCCn1c(CC(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82178945 DMOSRWFOPPUTAT-UHFFFAOYSA-N 407.440 4.302 0 1 HIAF CCOc1ccc(-n2c(C(N)=O)nc3cc(NCc4ccc(CC)cc4)cnc32)cc1 95595694 VVDRAJVVDLGBMJ-UHFFFAOYSA-N 415.497 4.093 0 1 HIAF C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1 114343920 UUVFRMLWZBOAOM-OAHLLOKOSA-N 411.465 4.154 0 1 HIAF Cc1c(C2CC2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 118097074 VEBSGICRZVVXGM-UHFFFAOYSA-N 415.541 4.477 0 1 HIAF C[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(=O)O 145463770 SIFKFUBAGMELIQ-GUYCJALGSA-N 424.478 4.205 0 1 HIAF O=C1C[C@](c2ccccc2)(c2ccncc2)OC(=O)[C@@H]1SCCc1ccccc1 169684732 FTFCWRGMEWBWBU-VWNXMTODSA-N 403.503 4.186 0 1 HIAF Cc1ccc([C@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)cc1C 299831069 IUQPRHFUTQDNBT-NRFANRHFSA-N 409.530 4.102 0 1 HIAF O=P(O)(O)c1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cc1 299856435 BXGIETDHYZVQNH-UHFFFAOYSA-N 412.313 4.138 0 1 HIAF CCN(Cc1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1)Cc1ccccn1 473114112 MDZDIQGONJLLLL-UHFFFAOYSA-N 401.510 4.008 0 1 HIAF COc1nccc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc12 586947566 SMWXTKBEDVLVCG-UHFFFAOYSA-N 408.483 4.051 0 1 HIAF COC(=O)c1cc(Cl)c2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c1 587030091 XEHZAPSVYZELJF-UHFFFAOYSA-N 414.874 4.153 0 1 HIAF O=S(=O)(Nc1ccsc1-c1nc2c(Cl)ccnc2[nH]1)c1ccc(F)cc1 587170168 LBFGAZXGIHXGHE-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF COc1ccc([C@@]2(c3ccc(N)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587392153 XLXOKGILQFWQLG-DEOSSOPVSA-N 404.466 4.086 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](C1(F)CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587464888 COLQVWWUZWURFJ-SFHVURJKSA-N 407.482 4.418 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cnc(N)c(C(=O)O)c3)cc1)CC2=O 587473496 WDCZTTDRNWRSQH-NRFANRHFSA-N 418.449 4.394 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587474823 HOHXWUGANBMYDT-JPYJTQIMSA-N 419.518 4.441 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1-n1cncn1 587549992 UQRLIQRWFHYEAW-SIKLNZKXSA-N 419.824 4.329 0 1 HIAF CC1(C)Cc2nc(O)ccc2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587585167 CHIMZTLIDOSVLT-HYBUGGRVSA-N 403.434 4.322 0 1 HIAF CC(C)CN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587767010 HSSXIRUEFSWHMR-ASSNKEHSSA-N 417.322 4.369 0 1 HIAF COC(=O)c1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587806095 UQNWLHNWKVQANF-APBUJDDRSA-N 417.278 4.480 0 1 HIAF COC(=O)CC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587807234 LMQODVFXOAETFD-XCLFUZPHSA-N 406.295 4.319 0 1 HIAF C[C@@H]1CCCCN1c1ccc2nnnc(Nc3cccc(OC(F)(F)F)c3)c2n1 653782519 SXQAPPALPUKWLS-GFCCVEGCSA-N 404.396 4.441 0 1 HIAF CC(=O)Oc1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1OC(C)=O 962660364 HGJZLJDIGFOWMN-VWLOTQADSA-N 401.462 4.439 0 1 HIAF COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c(Cl)c1 962701479 RARHXIZCDFULHE-HZPDHXFCSA-N 403.759 4.195 0 1 HIAF O[C@@H]1C[C@H]2C[C@@]3(C[C@H]1N2Cc1ccccc1)c1ccsc1CCN3Cc1ccco1 962709095 MQQIUQWXSJMSRT-JWMZNBFRSA-N 420.578 4.393 0 1 HIAF COc1cc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1OCc1ccccc1 963018752 CIXZLDKNHVRVHF-NIYFSFCBSA-N 414.505 4.417 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCNc2c(F)cc(Br)cc21 963638506 UDRRHUVEPDWQQH-GIPWTMENSA-N 421.310 4.199 0 1 HIAF O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)c(Cl)nc1O 1857563365 YESUDRMVWANAQC-UHFFFAOYSA-N 402.086 4.343 0 1 HIAF Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Nc1c(C)[nH]c2ccccc12 1857762173 ZAARQHGJPLVTHY-UHFFFAOYSA-N 417.469 4.466 0 1 HIAF Fc1ccc2c(c1)[C@H](n1cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c1)CC2 1857766173 GUGUWBOCGPLYEC-QGZVFWFLSA-N 414.366 4.424 0 1 HIAF COCc1[nH]nc2c1[C@H](c1ccc(Br)cc1)N(Cc1ccccc1)C2=O 199731185 BDFCINRDQZZXPN-IBGZPJMESA-N 412.287 4.064 0 3 HIAF Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]12 205216711 YHZGTYAZCNIXJK-PKTZIBPZSA-N 418.518 4.086 0 3 HIAF COc1ccc2nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)n(C)c(=O)c2c1 40835910 AKNFPZICZLISBZ-UHFFFAOYSA-N 419.525 4.005 0 1 HIAF CCCC(=O)N1[C@@H](c2cccc(O)c2)c2[nH]c3ccccc3c2C[C@@H]1C(=O)OCC 49807451 HCYQYDUEACJRJG-OFNKIYASSA-N 406.482 4.079 0 1 HIAF CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)C(C)(C)C)nc21 70719239 PLZJNJMOJDLVAT-OAHLLOKOSA-N 404.946 4.290 0 1 HIAF CCCCN1C(=O)N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223913 WUQWDDFUUHHMOQ-CLOONOSVSA-N 415.493 4.392 0 1 HIAF CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2cccc(F)c2O1 143422763 ONFSOFNCPBBRSS-QGZVFWFLSA-N 413.449 4.361 0 1 HIAF Brc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)c(Br)c1 149982043 CJPKOIJMBFKKCS-CQSZACIVSA-N 413.113 4.011 0 1 HIAF COc1ccnc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1 167307830 GRLYJPKNGJXFNF-HXUWFJFHSA-N 403.482 4.415 0 1 HIAF Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2C(F)(F)F)C1 219652836 KHCMVIHRDMAXLD-CZUORRHYSA-N 403.404 4.353 0 1 HIAF CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261156406 QAAOBQZCHWUKTE-UAPYVXQJSA-N 404.576 4.110 0 1 HIAF CCOC(=O)c1oc2cc(OC)ccc2c1Nc1cc(OC)c(OC)c(OC)c1 299852043 MLWGZKCWNNMBND-UHFFFAOYSA-N 401.415 4.388 0 1 HIAF Cc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)cc1 299868412 RHZXDVCKUWPBFF-ISKFKSNPSA-N 417.534 4.170 0 1 HIAF O=C(NCCc1ccccc1)c1c(-c2ccccc2)n(O)c2ccc(Cl)cc2[n+]1=O 378019413 UVBFVFABIOJEKN-UHFFFAOYSA-O 420.876 4.086 0 1 HIAF [O-][n+]1ccccc1SCc1nc2c(Br)ccc(Br)c2[nH]1 586970384 YXGCGZVMLSJWDH-UHFFFAOYSA-N 415.110 4.014 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2c1 587021536 OVTTZZKAFICWQD-UHFFFAOYSA-N 415.544 4.068 0 1 HIAF O=S(=O)(c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1)C(F)(F)F 587152838 SIMLYUHMPOCHFA-QWRGUYRKSA-N 402.344 4.406 0 1 HIAF O=C(c1cc(Cl)cnc1Cl)c1c(CO)oc2cc(Br)cnc12 587276266 KZQNNFVCUGBTMT-UHFFFAOYSA-N 402.031 4.015 0 1 HIAF C[C@@]1(c2ccc(NC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331006 CTMIWVFXYGZMQV-OFNKIYASSA-N 406.413 4.296 0 1 HIAF CCOC(=O)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335553 OEDPDQRZSGVVPW-ZJSXRUAMSA-N 424.399 4.488 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(OC[C@H]3CO3)cc1)O2 587415067 YGPXACHIDDUKIE-CPJSRVTESA-N 401.462 4.264 0 1 HIAF CC(C)(C)OC(=O)N1CC(O[C@H]2CC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 587516708 FBTUCBNTJOUSER-GBXCKJPGSA-N 413.514 4.068 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)[C@H]1CCCNC1 587597463 UPRDCNKMMDIYED-CZZAQMAHSA-N 415.489 4.335 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)NC(=O)OC(C)(C)C)N1 587753551 HOLGKYGJFVMSBD-BMIGLBTASA-N 401.320 4.467 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793461 FIAYEJRQQORDTF-XCLFUZPHSA-N 406.295 4.319 0 1 HIAF COc1ccc2[nH]c(O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587800642 BZQGJRVYWIMUBQ-YYSFKGJASA-N 405.267 4.407 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587828973 PJGMTYORJWEINK-ZRNGKTOUSA-N 408.267 4.302 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(OC)c(OC)c3)nc2c1 587925555 CPFDENPXPUDUDX-UHFFFAOYSA-N 419.275 4.110 0 1 HIAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1cc(OC)c(OC)c(OC)c1 653700485 JEQHGWSRAHJDJE-UHFFFAOYSA-N 406.438 4.050 0 1 HIAF O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccccc1 775048 XODJNCHEIAGEMP-IBGZPJMESA-N 416.452 4.481 0 1 HIAF COCCNC(=O)[C@H](C)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 6202033 BXCJWVWJJYQBRU-RSPLEMODSA-N 424.541 4.079 0 1 HIAF Cc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)o2)cc1 6737456 PKEGOODWAYSUAY-UHFFFAOYSA-N 411.527 4.230 0 1 HIAF Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCc4cccnc4)cc32)cc1 6750183 DNXJYNOEHAPYCM-UHFFFAOYSA-N 418.522 4.351 0 1 HIAF COc1ccccc1CCNc1ncnc2sc(C(=O)N3CCCCC3)c(C)c12 12127182 WWGDSVYRSHLMHF-UHFFFAOYSA-N 410.543 4.289 0 1 HIAF COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc2ccccc2c1 13864752 KEOOUNJHBCNYGW-UHFFFAOYSA-N 408.523 4.144 0 1 HIAF CC(C)(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CSc2ccccc2)on1 15673482 BHUHRCSQZPLWNC-IRXDYDNUSA-N 401.576 4.040 0 1 HIAF biogenic NC(=O)C1(NC(=O)CCCSc2ccc(Cl)cc2Cl)Cc2ccccc2C1 26388240 RONMFZBBELKLKZ-UHFFFAOYSA-N 423.365 4.005 0 1 HIAF CCCOc1nc(N[C@@H](C)[C@@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1 26976800 IEVBPGAANNEBGZ-OXJNMPFZSA-N 403.486 4.138 0 1 HIAF COc1ccc(Sc2ccc(Cl)cc2N2C[C@H](C)N(CC(=O)O)C[C@@H]2C)cc1 28366842 JSVXVCHEVWOFFP-GJZGRUSLSA-N 420.962 4.483 0 1 HIAF Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1 34390133 NMTNWMOGBNXARY-UHFFFAOYSA-N 410.495 4.291 0 1 HIAF Brc1ccccc1CN1CCN(c2ncc(Cc3ccccc3)cn2)CC1 66066125 RXYCYUIFTXWERI-UHFFFAOYSA-N 423.358 4.152 0 1 HIAF CC[C@H](C)Nc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccccc2)n1 82134154 NIWPLKPRJZRWKS-KRWDZBQOSA-N 404.514 4.335 0 1 HIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccc(Br)cc3)ccc12 96905447 FOESNNDMFMIWCH-IBGZPJMESA-N 415.312 4.378 0 1 HIAF CC1=CC=C2/C=C/C(C)=C(/C)C[C@H](C)C(=O)[C@@H](C(=O)O)[C@]3(C)O/C(=C/1O2)C(O)=C3O 100091875 PBKVAXUNUBEUPO-SALSPWFDSA-N 414.454 4.377 0 1 HIAF in-vitro COC(=O)N[C@H]1CC[C@H](Nc2cc(N[C@@H](C)c3ccc(Cl)cc3)ncn2)CC1 101471694 NOZJPFNQHKLQRH-RRQGHBQHSA-N 403.914 4.382 0 1 HIAF S=C1N[C@H](c2ccccc2Cl)[C@@H]2CNC/C(=C\c3ccccc3Cl)[C@@H]2N1 103231005 ULTQRBSNPGXDHC-APNFSWDMSA-N 404.366 4.184 0 1 HIAF CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 103629431 SFTNYDUJZVDQHT-LSOGNMMWSA-N 419.437 4.121 0 1 HIAF NC(=O)c1cccc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc12 114346953 RFRNMKYBLYLNMO-UHFFFAOYSA-N 405.845 4.100 0 1 HIAF Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1C 169293198 AMZDKPJJASZWNB-GYQXVMMRSA-N 412.489 4.113 0 1 HIAF COC1CCC2(CC1)Oc1ccc(-c3cncc(Cl)c3)cc1[C@@]21N=C(C)C(N)=N1 169708618 RVZQCFAUGDSGAA-IVXJCAOYSA-N 410.905 4.107 0 1 HIAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1ccc(Cl)cc1Cl)C2 219251348 CUHWRPDUYIEOQG-JTQLQIEISA-N 402.285 4.069 0 1 HIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cccc(O)c3)CC[C@H]12 253636647 NOUYCYGNOBPMES-VVUHAGMXSA-N 408.542 4.244 0 1 HIAF Cc1nc(COc2cccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c2)cs1 587020398 RCUYRJQWLOHXIF-UHFFFAOYSA-N 419.554 4.326 0 1 HIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3nc(Br)c[nH]c-3n2)c1 587196204 SLGFHNRTRAYBTA-UHFFFAOYSA-N 418.295 4.414 0 1 HIAF CCn1cc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587334762 YOQFBLKRZHUCOL-GHTZIAJQSA-N 402.372 4.267 0 1 HIAF O=C1c2ccc(O)cc2O[C@](CO)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 587345268 ILKQPJQBKZQMPP-ISKFKSNPSA-N 403.409 4.259 0 1 HIAF Cc1ccc([C@H](C(=O)O)c2cc3c(O)nc(O)nc3nc2-c2ccc(Cl)cc2)cc1 587368377 IPQIUBCJASMUAV-KRWDZBQOSA-N 421.840 4.281 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587377934 QLHCXWWXTXUKAA-FQEVSTJZSA-N 418.287 4.154 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OCc3ccccc3)CC13CC3)O2 587399636 LLYQWHQCEMLBMM-XMMPIXPASA-N 406.482 4.104 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(=O)n(Cc4ccccc4)c1)[C@@H](C2)C3=O 587423319 WROXXJCIGRECBJ-JTSKRJEESA-N 407.853 4.047 0 1 HIAF COc1ccccc1O[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658313 KZLNBTJAQBCRBP-HNNXBMFYSA-N 418.424 4.319 0 1 HIAF COc1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587739129 FZHMJNBGAUMZCM-MCAMPUSWSA-N 419.338 4.450 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587791243 KNHQTPDEXANJML-MGNBDDOMSA-N 417.278 4.480 0 1 HIAF COc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1OC 587861590 ACTSYMSTKUIXIL-UHFFFAOYSA-N 406.360 4.283 0 1 HIAF Cc1cc(OC(C)(C)C)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O 587937246 OWZGMQNGZCYAOJ-UHFFFAOYSA-N 422.367 4.183 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3cncn3C)nc(Cl)c2C)s1 653808313 DWBQURIBJNXZJR-KGLIPLIRSA-N 418.954 4.040 0 1 HIAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cnc(C3CCCC3)s2)N1 962646065 WBTNGWALFRGKRI-GOEBONIOSA-N 412.433 4.388 0 1 HIAF COc1cc(Br)ccc1[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962731267 RCHAYVCDELBAPH-HOCLYGCPSA-N 414.221 4.193 0 1 HIAF C[C@@H](CC(=O)O)C[C@@]1(c2cccc3ccccc23)N[C@H](C(=O)O)Cc2cccc(F)c21 962915363 VLAJJXAOIJIVBO-PUAZMWONSA-N 421.468 4.322 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2cc(F)cc(F)c2)C(=O)OC)cc1 1772586871 AMILKMGZKOWLBW-OYHNWAKOSA-N 419.468 4.353 0 1 HIAF CCOC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 1857534328 KQCOGZYDEBZMPK-SFHVURJKSA-N 414.458 4.029 0 1 HIAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCC(=O)N1c1cccs1 1911584413 PVIQKWMPRWBULF-LBPRGKRZSA-N 402.825 4.232 0 1 HIAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCC(=O)OCC 2356457303 LNTDXQBTXGZQAB-PCCBWWKXSA-N 423.594 4.099 0 1 HIAF Cc1ccc(S(=O)(=O)c2c(C)nn(-c3ccccc3)c2OC(=O)c2ccco2)cc1 8684446 JEBXIBYDUQVKHI-UHFFFAOYSA-N 422.462 4.134 0 3 HIAF CCCCOc1ccc(C(=O)N[C@H]2CCCCN(Cc3ccccc3C)C2=O)cc1 200050639 BDHSJAVADNSKCP-QHCPKHFHSA-N 408.542 4.485 0 3 HIAF CC(C)c1ccc(NC(=O)c2cnc(N3CCN(Cc4ccccc4)C3=O)o2)cc1 205231156 XGKKQCCBNZBCPK-UHFFFAOYSA-N 404.470 4.493 0 3 HIAF O=C1NCN(c2ccc(F)cc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 28566758 HIOFFNLYGYBMSJ-GOTSBHOMSA-N 407.533 4.280 0 1 HIAF O[C@@H](COc1ccccc1-c1nc2ccccc2o1)CN1CCC[C@@H]1c1cccnc1 28972837 FNEBLCTZWCYYMQ-DENIHFKCSA-N 415.493 4.467 0 1 HIAF C[C@H](Oc1cc(-c2cnn(C3CNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 35848988 NUGLKXMTNVCMMF-JTQLQIEISA-N 422.291 4.258 0 1 HIAF COc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@@H]2c1ccc(OC[C@H](O)CO)cc1 38558966 YDDPQONJKPRFEC-DSBYRVASSA-N 404.506 4.289 0 1 HIAF CS(=O)(=O)c1ccc(-c2cnc(Cc3ccccn3)nc2-c2ccc(F)cc2)cc1 43015912 BUUDNGAFTAUGOD-UHFFFAOYSA-N 419.481 4.339 0 1 HIAF COc1cc(NC(=O)CCCCCCCCN2CCN(C)CC2)c2ncccc2c1 45315921 PYNCWVUMPLIQJE-UHFFFAOYSA-N 412.578 4.160 0 1 HIAF Cc1nc(Nc2c(Cl)cc(C(F)(F)F)nc2Cl)c(=O)n([C@H](C)C2CC2)n1 49035828 PUMFYGZTBOVYQT-ZCFIWIBFSA-N 408.211 4.382 0 1 HIAF CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(N(C)C)cc4)nc3c2)ccn1 71333460 MURQPNDHLVKSNR-UHFFFAOYSA-N 403.442 4.184 0 1 HIAF COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2cc3ccccc3o2)cs1 82195480 MUVNNSAJKNEJPE-HNNXBMFYSA-N 419.572 4.243 0 1 HIAF CCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3cc(NC(C)=O)ncc3c2)c1F 144359341 LCMYIXXKZSKJIM-UHFFFAOYSA-N 419.453 4.290 0 1 HIAF CC(C)Cn1cc(-c2cc(CO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144920113 JYWQODRSAUHYDG-OAQYLSRUSA-N 402.416 4.477 0 1 HIAF CCC(O)(CC)c1cccc(-c2nc(NCCc3ccc(F)cc3)nc(OC)n2)c1 206768464 SVJRUPQKAZZMAA-UHFFFAOYSA-N 410.493 4.349 0 1 HIAF N[C@H]1CC[C@H](Nc2nccn3c(-c4cccc(NCc5ccccc5)n4)cnc23)CC1 261165834 RXJTUDKETVEJBC-WGSAOQKQSA-N 413.529 4.085 0 1 HIAF CCN(CC)CCCCCNc1nc(N2CCCC2)nc2cc(OC)c(OC)cc12 299828301 MNLMYEFNITULBF-UHFFFAOYSA-N 415.582 4.171 0 1 HIAF CN1CCN(c2ccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3c2)CC1 587017388 KWXAHPMACUOHPR-UHFFFAOYSA-N 417.538 4.040 0 1 HIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 587041030 UCFSKNQCKKYDGS-LBPRGKRZSA-N 402.289 4.447 0 1 HIAF COc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)nn1-c1ccccc1F 587156336 LKOQQPMUCZOGFW-UHFFFAOYSA-N 422.645 4.374 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)c(F)c(F)cc2[nH]1 587180048 CNTAUFSPWKXTDA-ZCFIWIBFSA-N 420.176 4.419 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)NC3CCCC3)c3ccccc13)O2 587391287 RECCBQPVIOOEAX-QHCPKHFHSA-N 417.509 4.297 0 1 HIAF COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc12 587402193 APDPNQFFXVMNSO-XMMPIXPASA-N 405.450 4.465 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C)nc1)(c1c(N)sc3c1CCC3)O2 587413686 IPHKJHHGMACROQ-HSZRJFAPSA-N 405.523 4.322 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccnc4)c(Br)c1)[C@@H](C2)C3=O 587414948 ZEVLQRJVJYMJKI-VBKZILBWSA-N 411.255 4.132 0 1 HIAF COc1cc2c3c(c1)OC1(CCC(NC(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587432995 OBYPZVPIZIGXEH-MZXKRHHESA-N 407.466 4.050 0 1 HIAF C[C@]1(c2c(F)ccc(F)c2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557998 UKULSXOPYXIMDE-PGRDOPGGSA-N 412.344 4.246 0 1 HIAF Cc1cccc(N2CCC([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)CC2)n1 587580702 DAEMFZSJPBWYLI-RCZVLFRGSA-N 416.477 4.342 0 1 HIAF COc1ccc(COC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660232 PDYCAHFGNZWAPK-UHFFFAOYSA-N 404.397 4.396 0 1 HIAF CCCCNC(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O 587669376 LDIUQLVFCSEYQE-UHFFFAOYSA-N 409.486 4.219 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cnc(N)nc2)N1 587748089 ULJAASUMRQAWJC-JEOXALJRSA-N 413.294 4.251 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCC3=O)c2)N1 587768191 LGFJUOKEYXQGBU-YUNKPMOVSA-N 403.295 4.123 0 1 HIAF COC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)cc(C)c2-n2c(C)nnc21 653702286 OCEYNNPVIQGXNM-GOSISDBHSA-N 424.888 4.001 0 1 HIAF CC(C)(C)OC(=O)Nc1ccc(Cl)nc1[C@H]1NCCc2c(C(=O)O)cccc21 963120253 FRVYQGJQXZCQJH-INIZCTEOSA-N 403.866 4.015 0 1 HIAF Cc1sc2ncn(C[C@@]3(C)NCCc4c(Cl)cc(Cl)cc43)c(=O)c2c1C 963125301 TXTJUQBNSJSUBD-LJQANCHMSA-N 408.354 4.443 0 1 HIAF O=C(c1cc(Cc2nnc(O)c3ccccc23)ccc1F)N1CCC2(CCCC2)C1 1857747408 FFHIZHPGEHXURA-UHFFFAOYSA-N 405.473 4.472 0 1 HIAF CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1 2356446282 DJNBAZMKPVTPNB-LUCIHVKJSA-N 418.530 4.435 0 1 HIAF C[C@]1(C(=O)Nc2nccs2)CCN1C(=O)CC(c1ccccc1)c1ccccc1 61897532 ITHSQKSSAUVEDF-HSZRJFAPSA-N 405.523 4.295 0 3 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 767968 FRCONBIKIHKSBP-UNMCSNQZSA-N 423.875 4.470 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 788404 AKFJNRGYGYALQC-KZVRRFQSSA-N 424.516 4.155 0 1 HIAF CC(=O)OC1=NN=C(OC(C)=O)C12CC=C(C)C[C@@H]2c1ccc(Br)cc1 2502257 FSYFAIMDFGAXPS-MRXNPFEDSA-N 419.275 4.111 0 1 HIAF O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4208438 MTLMAUYBFGHICD-FPOVZHCZSA-N 410.857 4.220 0 1 HIAF CC(C)OCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 4909870 WDSXYPVEAVGVNP-PKTZIBPZSA-N 419.525 4.010 0 1 HIAF COCCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C 13602536 JFSSJWYYUKBIPG-UHFFFAOYSA-N 424.448 4.089 0 1 HIAF O[C@@H]1CCCCC[C@@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22927559 RVUQSGISTJEQPF-CLJLJLNGSA-N 422.613 4.351 0 1 HIAF CC(C)OCCCN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28331068 OVTZJVIHRGCHFV-UHFFFAOYSA-N 419.953 4.137 0 1 HIAF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(C[C@H](C)O)c1=O 29209862 YYAYOWVVNXCRCP-LBPRGKRZSA-N 417.292 4.468 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@@H](c3ccccc3)CC[C@@H]2C1 29406775 ILBCFHDOQNPYQO-RCCFBDPRSA-N 413.949 4.071 0 1 HIAF Cc1cc(OCCCNCc2cnccn2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49089205 JVVAEDXXKBNOIX-UHFFFAOYSA-N 405.477 4.335 0 1 HIAF CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1Oc1ccc(F)cc1 84707126 GLBBOAJAEFMGOQ-UHFFFAOYSA-N 413.493 4.182 0 1 HIAF COc1cc(-n2c(-c3ccc(OC(F)(F)F)cc3)cccc2=O)cc(OC)c1OC 96930129 YLCUGWZGMUVKKJ-UHFFFAOYSA-N 421.371 4.429 0 1 HIAF CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(-c3ccco3)ccc1-2 98081889 WAPAOOACIDZLKD-KRWDZBQOSA-N 405.454 4.378 0 1 HIAF CC[C@H](C)C(=O)O[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 98186949 PCZOHLXUXFIOCF-FMNPGBCESA-N 404.547 4.196 0 1 HIAF C/C1=C/CC/C(C(C)C)=C\C(=O)O[C@@H](C)CC/C(C)=C2/OC(=O)[C@H]3[C@@H]2[C@@H]1O[C@@]3(C)O 103548167 PODFUNZMQLOKFU-YRPGAALASA-N 418.530 4.191 0 1 HIAF biogenic,in-vitro CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cccc(Cl)c4)cc23)CC1 113206105 SIAGQGTWMHKSDK-UHFFFAOYSA-N 418.928 4.492 0 1 HIAF C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2cccc(-c3ccc(O)cc3F)n2)C1 139767459 FOCOGYAYQMQYQQ-XHSDSOJGSA-N 420.488 4.472 0 1 HIAF Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1 142665925 ZAUMNKFDDVAMTI-UHFFFAOYSA-N 403.439 4.198 0 1 HIAF COc1cc(F)ccc1-c1nc(Nc2cccc(C[S@@](C)(=N)=O)c2)ncc1F 206888726 ZALAVZQOVAVODO-NDEPHWFRSA-N 404.442 4.351 0 1 HIAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NC[C@@H](O)CC 299883565 RNXNCZKHKKZYJL-BPUDTRNYSA-N 424.541 4.188 0 1 HIAF O=C(c1cccs1)c1c(C(F)(F)F)[n+](=O)c2cc(C(F)(F)F)ccc2n1O 377799872 CXLGIOPVKZUPAG-UHFFFAOYSA-N 409.287 4.123 0 1 HIAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Cl)cc(F)c2[nH]1 586946219 UUVVZEYYOZSMKW-UHFFFAOYSA-N 411.867 4.155 0 1 HIAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(C(C)(C)C)c2[nH]1 586965566 RSNWYNGNROUNLY-UHFFFAOYSA-N 409.563 4.317 0 1 HIAF Brc1ccc2c(cnn2CCc2nc3c(Br)ccnc3[nH]2)c1 587002062 IKPLOUBPEJFASN-UHFFFAOYSA-N 421.096 4.075 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)ncc(F)c2[nH]1 587180247 FVFRJHXKOAFCAE-LURJTMIESA-N 419.629 4.190 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1nccc(NC(=O)C(C)(C)C)c1OC)CC2=O 587470422 MZOUBYZPQABXMA-GOSISDBHSA-N 412.486 4.439 0 1 HIAF CC(C)(C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)NC(=O)OC(C)(C)C 587570828 JNOCQSVMNBIQJU-ZWKOTPCHSA-N 413.470 4.416 0 1 HIAF CCOC(=O)[C@H](C(F)(F)F)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587710278 RJMJVFWRNOUDDI-AFEMSUNCSA-N 412.221 4.079 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)ccc(F)c2C(=O)O)N1 587723360 XHQNEICKTWHFCD-ASCAZGACSA-N 414.221 4.362 0 1 HIAF CCn1ncc([C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587724134 ZVLMYKFKPKBKIL-HUTHGQBESA-N 402.258 4.156 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(C2CC2)N1 587759042 ZYIFXRQBZZFWAV-WLRWDXFRSA-N 413.331 4.252 0 1 HIAF COC(=O)c1oc2c(c1C)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587827562 KLTMQVNESGONBD-SBKAZYGRSA-N 422.294 4.390 0 1 HIAF CC(=O)Nc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852085 KEEBIZOZXSPGFY-QPFGOUBPSA-N 412.328 4.109 0 1 HIAF COc1ccccc1SCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587870165 XFOAENNAWULZRM-UHFFFAOYSA-N 423.416 4.414 0 1 HIAF Cc1ccc(N2CC[C@H](N3CC[C@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F 1772625780 RUJFBNIDDSNLJQ-QUCCMNQESA-N 404.432 4.070 0 1 HIAF NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCN(CC1CCC1)C2 1772633032 NLHVQEKVPHWRFU-UHFFFAOYSA-N 418.950 4.303 0 1 HIAF C[C@H](Oc1cc(-c2cnn([C@H]3CCOC3)c2)cnc1N)c1cc(F)ccc1Cl 1911573004 MASVJIOKTQWYRN-LRDDRELGSA-N 402.857 4.421 0 1 HIAF COc1cc([C@@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc(O)c1OC 2356417218 VDZKDMJORWVROZ-UAFHBQARSA-N 402.443 4.232 0 1 HIAF O=C1[C@H]2C[C@@H](CN2C(=O)Nc2ccccc2)Oc2ccccc2N1Cc1ccccc1 2356434091 DRUZPQUNHZKZOL-RBBKRZOGSA-N 413.477 4.287 0 1 HIAF CC[C@@H]1O[C@H](OC)[C@@](C)(C=CC=CC=CC=Cc2oc(=O)cc(OC)c2C)[C@]1(C)O 2356717797 XJLVGLQWWKSJQC-IQFVJIFQSA-N 416.514 4.177 0 1 HIAF CC(C)CC(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@@H](C(C)(C)O)C2 13461260 XQVNGPCRGYMCIR-GOSISDBHSA-N 422.477 4.469 0 1 HIAF biogenic O=c1cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2o1 13673195 FBKMRPXQTLKWBJ-UHFFFAOYSA-N 412.873 4.252 0 1 HIAF O=C(Nc1cccc(F)c1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25233536 ZDRIXHCKHQTGCN-AEFFLSMTSA-N 403.457 4.306 0 1 HIAF biogenic O=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3ccc(F)c(F)c3)cs2)c1 25317832 UHSRWGQKCPNDBA-UHFFFAOYSA-N 415.465 4.026 0 1 HIAF N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(F)c(Cl)c1)C(=O)O 27103327 XIKRXMZIKQWASH-XMCSSRMMSA-N 403.818 4.473 0 1 HIAF Cc1ccccc1[C@H](c1cccc(C)c1C)[S@](=O)CCN1CCC[C@@H](C(=O)O)C1 28902815 SJOHLQSDIATXGF-XCSROIPSSA-N 413.583 4.247 0 1 HIAF O=C(CSc1nc(C(=O)c2cccc3ccccc23)cc(=O)[nH]1)c1ccccc1 40584614 UAXRVCXZJAPIBL-UHFFFAOYSA-N 400.459 4.129 0 1 HIAF Cn1c(CN2C[C@@H]3C(COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2ccccc21 40915647 WQJWGQOPARVNRN-JWTNVVGKSA-N 401.432 4.349 0 1 HIAF Cn1cc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 59068408 UCGLIDADIQNGPX-IFMALSPDSA-N 412.472 4.407 0 1 HIAF CCCCCCN(C)c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 82067206 JTXPUXUBSONOBZ-LJQANCHMSA-N 415.538 4.280 0 1 HIAF CCCCc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1 95579376 GTKTXVLDMNTDMQ-KRWDZBQOSA-N 401.551 4.178 0 1 HIAF COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5ccccc5F)C[C@@H]3N4)cc2)cc1 100101497 OIKWYEHUIBZWRP-UBRQYEGLSA-N 417.484 4.473 0 1 HIAF O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 116826435 HGCUPVSMDWTYJY-IIBYNOLFSA-N 412.518 4.319 0 1 HIAF O=S(=O)(Nc1cccc(Cl)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142902002 CCTJSYDYNOIIBA-UHFFFAOYSA-N 403.769 4.210 0 1 HIAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCn3cnc4ccccc43)c2)c1 201533116 DEQPMCRUTTUENO-UHFFFAOYSA-N 412.453 4.149 0 1 HIAF C[C@@H]1[C@@H](CC(=O)O)c2cc(OCc3ccccc3)ccc2N1C(=O)c1ccncc1 206125358 AUFYYVQNRCGIBR-OXQOHEQNSA-N 402.450 4.268 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cc5ccccc5cn4)ncc23)ccn1 219760696 HQDXDQNQMPPXLU-UHFFFAOYSA-N 409.453 4.198 0 1 HIAF COc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(Br)ccc3N(C)[C@@H]12 221935480 OXENKJYUTVNMFU-LJQANCHMSA-N 412.287 4.017 0 1 HIAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC[C@@H](O)CN(C)C 299836185 MUUINCHIPRPGLY-CLOIUZTFSA-N 401.591 4.286 0 1 HIAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccnc(O)c4[nH]3)c(=O)oc2c1C 586918151 LDSVSRBJVFXDOH-UHFFFAOYSA-N 405.454 4.323 0 1 HIAF Nc1ccc(-c2ccc3nc([C@H](O)c4ccc(Br)cc4)[nH]c3c2)cc1N 586998205 ZEMDHVXTOFPNHM-LJQANCHMSA-N 409.287 4.239 0 1 HIAF N[C@@H](c1ccsc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587025951 JIMMHBBMAKGRCQ-KRWDZBQOSA-N 418.931 4.127 0 1 HIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587114702 XLCCBIBYPIJIBG-LBPRGKRZSA-N 411.449 4.178 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@H](CC)Oc3ccccc3F)[nH]c2c1 587154545 DHWMECOTLQKHQT-SFHVURJKSA-N 405.495 4.311 0 1 HIAF O=C(COc1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1)Nc1ccccc1F 587155537 ZXARIODJJPQNAI-UHFFFAOYSA-N 423.375 4.224 0 1 HIAF COc1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)nn1-c1ccccc1F 587156667 PTLAXLPTPREIGO-UHFFFAOYSA-N 414.444 4.395 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 587329296 DMEOQRINCWYJFJ-KNQAVFIVSA-N 414.335 4.149 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(O)c(F)cc32)[C@H]1c1ccc(F)cc1 587330474 FNJLPUVJKJYOKU-JTHBVZDNSA-N 410.372 4.413 0 1 HIAF CN1C(=O)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587333824 CVZCGADLUVKKAC-LADGPHEKSA-N 403.409 4.152 0 1 HIAF CCOC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C 587343329 JSHBWCHCSADEOS-XXBNENTESA-N 413.445 4.270 0 1 HIAF O=C(O)c1ccc2c(c1)OC=C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355713 GEQUUTAYKGWLDO-URXFXBBRSA-N 418.376 4.390 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(=O)n(Cc3ccccc3)c1Cl)O2 587413700 ISWBPPBNXMYUCO-MRXNPFEDSA-N 400.887 4.209 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCN(c3ccccc3)C[C@H]1C(=O)OCC)CC2=O 587480978 XBEPMCPNTWFEIK-NBGIEHNGSA-N 423.509 4.138 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(CCC(F)(F)F)CC2 587548646 OFPWEQJJVIPYLV-KRWDZBQOSA-N 407.388 4.141 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2nccn2C)N1 587850706 DXIXUPZVOFFECR-ZMZPIMSZSA-N 406.324 4.209 0 1 HIAF CCOCCCn1c(-n2nc3cc2Oc2ccc(F)cc2-3)nc2ccccc2c1=O 587876660 VEZKDEZVOLXGGX-UHFFFAOYSA-N 406.417 3.921 0 1 HIAF C[C@H](CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)CC(=O)O 587963577 ZTZSIKVZAMUWCQ-GFCCVEGCSA-N 421.906 4.061 0 1 HIAF CN(C(=O)[C@H]1CCCN1Cc1ccccc1)[C@H](CN1CCCCC1)c1ccccc1 621431392 AZCCDASEKDDDEB-JWQCQUIFSA-N 405.586 4.337 0 1 HIAF COc1ccccc1[C@@]1(c2ccc(C)cc2C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901614 RCXFIFHZTZUYTP-DHLKQENFSA-N 405.469 4.342 0 1 HIAF Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963509320 MJHBYTTZWJDGLV-LMDNVDAOSA-N 422.569 4.238 0 1 HIAF Cc1cc([C@H]2CN(Cc3c(C)cccc3F)C[C@@H]2N(C)C)ccc1C(=O)N1CCCC1 1772610623 MWZZPDXIIUIKJV-NOZRDPDXSA-N 423.576 4.208 0 1 HIAF CCn1c(=O)cc(C2CCN(C)CC2)c2cc(C(=O)N(C)c3ccc(C)cc3)ccc21 1857614535 HEOMVEXDAFITFW-UHFFFAOYSA-N 417.553 4.416 0 1 HIAF Cn1cc(-c2cnc(N)c(Oc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)n2)cn1 1911578738 GVBXGRYWKSAQLW-UHFFFAOYSA-N 420.860 4.157 0 1 HIAF Nc1c2c(nc3ccc(C(F)(F)F)cc13)N1C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]1CC2 1911585416 LHSLAESQIVKBPF-GYBPZWCXSA-N 416.491 4.461 0 1 HIAF CC1=C[C@H](CNC(=O)N2CCOCC2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 2356337616 YFGHPNYOBMGZLM-XUVXKRRUSA-N 410.562 4.002 0 1 HIAF 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]4C[C@@H](O)[C@@]32C)O[C@@]12CCCCO2 2356663455 HFWFMXHILGQMNK-SJWQLIKXSA-N 416.602 4.439 0 1 HIAF Fc1ccc(Cn2cc(CSc3nnc(-c4ccc(Cl)cc4)o3)nn2)cc1 95665614 XOSUXRSWCAMKGU-UHFFFAOYSA-N 401.854 4.461 0 3 HIAF O=C(N[C@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(F)cc1 199410911 KHFGZDMFMUBJSI-SFHVURJKSA-N 408.395 4.156 0 3 HIAF CC(C)(C)[C@H](N)C(=O)N[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253977302 DKQUQODYLFKBLG-QHJJTWKVSA-N 402.623 4.168 0 3 HIAF C[C@H](Nc1nccc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)n1)c1ccccc1 590347 KJHDQWGKJLENOT-HNNXBMFYSA-N 408.469 4.028 0 1 HIAF CCn1cc2c(nc(NC(=O)Nc3ccc(Cl)cc3)n3nc(-c4ccco4)nc23)n1 13472345 GPHJHOZYSNRISC-UHFFFAOYSA-N 422.836 4.051 0 1 HIAF COC[C@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28527819 DYPRVEIOXAVFCJ-OAQYLSRUSA-N 409.505 4.070 0 1 HIAF Cc1cccc(C(=O)NC(C)C)c1NC(=O)c1cnc(C(F)(F)F)nc1C(C)C 28528818 BYTBRPMPYKKSNU-UHFFFAOYSA-N 408.424 4.318 0 1 HIAF O=C1c2sccc2N(Cc2cccc(Cl)c2)S(=O)(=O)N1Cc1ccccc1 29124189 ZXUDVYXAAWIJNI-UHFFFAOYSA-N 418.927 4.309 0 1 HIAF CCCC(=O)N1[C@H](C(=O)OCC)Cc2c([nH]c3ccccc23)[C@H]1c1cccc(O)c1 49807452 HCYQYDUEACJRJG-NZQKXSOJSA-N 406.482 4.079 0 1 HIAF COc1ccc(F)cc1-c1ccc([C@H](C)NS(=O)(=O)c2c(C)noc2C)cc1 66259906 NBAOFZNPTRSGCL-LBPRGKRZSA-N 404.463 4.146 0 1 HIAF O=C(N[C@H](CO)CSCc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 82084491 DIPUSCUHLJVNNS-QGZVFWFLSA-N 418.971 4.488 0 1 HIAF C=CC(=O)Nc1ccc(OC)c(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)c1 96935126 ZHPKJEJCMJSXMA-UHFFFAOYSA-N 420.860 4.321 0 1 HIAF O=C(O)C1CCN(c2cc(C(F)(F)F)nc3ccc(Br)cc23)CC1 102756276 RHGIJUPYBUYYJW-UHFFFAOYSA-N 403.198 4.317 0 1 HIAF CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 103245463 NEWNPTGZCAHEOZ-NTEUORMPSA-N 407.514 4.396 0 1 HIAF CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2cc(F)ccc2O1 143473463 ROWCMEDKXQZKDO-QGZVFWFLSA-N 413.449 4.361 0 1 HIAF CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccccc4)CC3)ccc21 169700830 XTYOJYXLFHVAHM-IYARVYRRSA-N 421.497 4.103 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCCO4)n3)c(Cl)cn2)CC1 261152783 PHHPXJDRQAFCBI-BZUAXINKSA-N 401.942 4.070 0 1 HIAF NC(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 587120335 YUTGOEOJINPMQA-UHFFFAOYSA-N 422.370 4.057 0 1 HIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccnc(Br)c2[nH]1 587120383 GUXDKJFSCQXFQW-UHFFFAOYSA-N 400.080 4.148 0 1 HIAF O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1)c1ccc(F)cc1 587169601 DLZHNIUGHGPQEO-GOSISDBHSA-N 417.412 4.048 0 1 HIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 587200806 PZESCHTUXGIMOL-UHFFFAOYSA-N 416.279 4.237 0 1 HIAF C[C@]1(COC(=O)c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340820 WYDJDISSKNKBIN-ZJSXRUAMSA-N 421.424 4.088 0 1 HIAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)cc1C(F)(F)F 587369276 YASUQAGDXYQACL-UHFFFAOYSA-N 400.154 4.193 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCN(C)C)(c1ccc(OC)c(F)c1)CC2=O 587467985 VOWUGDYVUJVLNO-QHCPKHFHSA-N 401.478 4.305 0 1 HIAF COc1cc(F)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587559328 WFXFXXSJEZERHU-NFBKMPQASA-N 410.397 4.426 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587588365 KAZLCQZCBGFMSO-NTKDMRAZSA-N 421.449 4.391 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2OCCO2)(c2cccc(F)c2)N1 587730671 JXHMHDYOFOFIPZ-ODXCJYRJSA-N 424.285 4.268 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N(C)c2ccccc2)N1 587754822 LCTCCTZEDGCZNV-ZUOKHONESA-N 405.311 4.391 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(c2cccnc2)N1 587771981 MRISHXLLGZIKFX-SPLOXXLWSA-N 412.306 4.399 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCC(=O)O)cc2)N1 587790781 GMSGGVPYEYXGHD-WLRWDXFRSA-N 408.267 4.065 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)N3CCc4cccc2c43)N1 587792531 ORBWFFPVBKAECD-GTJPDFRWSA-N 415.306 4.049 0 1 HIAF COC(=O)CC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587806484 JJQFIZRFBPZBEI-XCLFUZPHSA-N 406.295 4.319 0 1 HIAF CCCCOc1ccc(C(=O)NCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873702 KSVCBMZPRGEPND-UHFFFAOYSA-N 409.417 4.044 0 1 HIAF Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(-n2nc3cc2Oc2ccc(F)cc2-3)n1 587873876 KXMKAXRCOJKMGL-UHFFFAOYSA-N 416.338 4.302 0 1 HIAF Oc1cc(-c2ccco2)c(O)n1-c1cc(Br)cnc1Br 587941334 SCRYVWNKJZQUAM-UHFFFAOYSA-N 400.026 4.069 0 1 HIAF COC(=O)Cc1cc(OC)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1OC 587945422 LEKZFWJGVUNSBK-SFHVURJKSA-N 401.434 4.175 0 1 HIAF c1ccc(N2CCN3[C@H](c4ccnn4-c4ccccn4)c4ccccc4C[C@@H]3C2)cc1 962648398 XPRCVMWFFRHECI-GJZUVCINSA-N 407.521 4.104 0 1 HIAF COc1cccc2occ([C@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)c(=O)c12 962700996 JAYRKUTYGAEEFY-JLCFBVMHSA-N 411.498 4.394 0 1 HIAF CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@H]1NCCc3c1c(C(C)C)nn3C)CC2 962924180 WBQTXYWVJHUQRR-HXUWFJFHSA-N 417.937 4.405 0 1 HIAF COc1cccc2cc3c(nc12)[C@](c1cccs1)(c1ccc(CCN)s1)NCC3 963052935 FLEVBTSRZYJTKB-QHCPKHFHSA-N 421.591 4.305 0 1 HIAF Cc1cc2c(cc1O)[C@@](c1ccccc1)(c1nccc3ccccc13)N[C@H](C(=O)O)C2 963548048 DIHBYOBCFWGFEH-NVQXNPDNSA-N 410.473 4.140 0 1 HIAF COc1cc2c(c(OC)c1OC)[C@H](c1cc(Br)ccc1F)[C@H](C)C(=O)N2 1857638985 SJBJLFRJNAQGPK-VFZGTOFNSA-N 424.266 4.334 0 1 HIAF CC[C@H](C)C=C(C)C1=Cc2cc3c(c(O)c2CO1)C(=O)[C@@](O)(CC(C)=O)C(OC)=C3 2356493637 AEUOEFHLXREGMT-RKNYENMMSA-N 412.482 4.150 0 1 HIAF Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H]3[C@@H](C(=O)N2CC4)[C@H](C)ON3C)c1 203467626 PRFLQVZXUGXUJR-JNHSIYEJSA-N 401.510 4.223 0 3 HIAF O=C(O)Cc1cccc2c1O[C@H](c1ccccc1)[C@](Cl)(C(=O)c1ccccc1)C2=O 1646826 FZHHXKOSWGNPIC-RPWUZVMVSA-N 420.848 4.491 0 1 HIAF COC(=O)C(C)(C)CCCOc1ccc(C=O)c(OCCCC(C)(C)C(=O)OC)c1 25976428 PVGWWXRLCIJOEL-UHFFFAOYSA-N 422.518 4.216 0 1 HIAF CCCCCC[C@@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NC1CCCCC1 26816463 YSIDPNMICYWINA-PVGBUVFQSA-N 414.546 4.302 0 1 HIAF CO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc(C(F)(F)F)cc3)O[C@H]2[C@@H]1OC 28571632 DCOIQFKJIWCCQG-ZWJPJJENSA-N 424.415 4.290 0 1 HIAF O=C1CCCc2c1cc(C(=O)NC1CCCC1)c(=O)n2-c1ccc(C(F)(F)F)cc1 33126921 GNPSRNJFQHNMMH-UHFFFAOYSA-N 418.415 4.048 0 1 HIAF C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CCCCCCOCc1ccccc1 33917570 XKIHFBJMOPEESI-FOWTUZBSSA-N 422.351 4.326 0 1 HIAF CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@@H]12 45334586 LAAZEJPVRHNOIV-WWEWDKITSA-N 417.962 4.155 0 1 HIAF COc1ccc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)cc1OC 72177638 BARZAEKUPQPGAV-UHFFFAOYSA-N 402.498 4.173 0 1 HIAF Cc1nc2ccc(Oc3ccc(F)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 73312250 GDCLPRBKLVQFME-KRWDZBQOSA-N 410.493 4.152 0 1 HIAF C[C@H](CNc1ncnc2c1nc(-c1ccoc1)n2C[C@H]1CCCO1)c1ccccc1 82188170 ZWBZYMKQQPUUAI-VQIMIIECSA-N 403.486 4.481 0 1 HIAF O=C(O)[C@@H]1CCCN(CCO/C=C\c2cc(F)ccc2Cc2cccc(F)c2)C1 96923956 HWWDMQPINOYECK-NHHWLVAYSA-N 401.453 4.340 0 1 HIAF CCc1ncc(C(=O)N[C@@H](CC(=O)O)Cc2ccc(-c3cccc(Cl)c3)cc2)o1 140453368 TXDGEGOLSACYBG-GOSISDBHSA-N 412.873 4.373 0 1 HIAF COc1cc(-c2nc(N3CCCc4ccccc43)n(C)n2)ccc1-n1cnc(C)c1 141803872 GIRLYGPUZOPMSB-UHFFFAOYSA-N 400.486 4.069 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2n[nH]nc2[C@@H]1c1ccccc1 218476373 IVCDYQCBMVZLKZ-KRWDZBQOSA-N 406.795 4.265 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(-c3cccnc3)n[nH]c2C1 225988449 DVTQCGIEUFFDEJ-UHFFFAOYSA-N 406.795 4.342 0 1 HIAF COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 299852158 OIENFPLDTOZTHU-OAQYLSRUSA-N 400.434 4.415 0 1 HIAF Cc1ccc(-c2nnc(SCc3nc4cc(C(F)(F)F)ncc4[nH]3)n2C)cc1 586964940 GRALLQGLONTWGN-UHFFFAOYSA-N 404.421 4.373 0 1 HIAF C[C@H](O)c1ncc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)s1 587021500 IQQMFRFAZHAVNO-YFKPBYRVSA-N 408.199 4.401 0 1 HIAF C[C@@]1(c2nc3c(Br)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587155697 KJCVOBIEWQZKTB-INIZCTEOSA-N 409.646 4.304 0 1 HIAF O=c1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cn(C2CC2)c2cc(F)c(F)cc12 587172961 OMLINDDWWYSWHJ-UHFFFAOYSA-N 409.392 4.319 0 1 HIAF O=C(N[C@@H](c1ccccc1)c1nc2c(Br)ccnc2[nH]1)c1ccccc1 587217801 GFVBYBOUZDKEKG-INIZCTEOSA-N 407.271 4.240 0 1 HIAF CCOC(=O)c1ccc2nc(Cc3cccc(-c4cccc(C(=O)NC)c4)c3)[nH]c2c1 587233823 AVRNRTDMTPBBFM-UHFFFAOYSA-N 413.477 4.357 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1COC3(CCCCC3)N1C(=O)OC(C)(C)C)O2 587394238 RIVZDWVYSGIHBP-PKOBYXMFSA-N 416.518 4.207 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1CS(=O)(=O)c1ccccc1)[C@@H](C2)C3=O 587449009 OCDSMVOYVOHJMS-RDPSFJRHSA-N 420.486 4.158 0 1 HIAF COC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502718 SNWZODJGPMZZHS-HSZRJFAPSA-N 412.869 4.212 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587575882 GROKYRGZBMUWIV-REWPJTCUSA-N 413.433 4.293 0 1 HIAF C[C@@]1(c2ccc3nc(N)sc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616974 IFJQGHPYEYLJHR-GCJKJVERSA-N 404.447 4.461 0 1 HIAF CCOC(=O)c1c(-c2ccc(OCC)c(Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649304 PHBLQYYNCJFCGH-UHFFFAOYSA-N 421.902 4.467 0 1 HIAF CCn1cc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587688171 WZEXLOONGNVZNZ-RTHLEPHNSA-N 417.120 4.191 0 1 HIAF CCn1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587708917 FZQOTSFIOKPBIU-PSLIRLAXSA-N 406.221 4.145 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(c2cccnc2)N1 587770974 LJQSEOJCHKPOCR-SZNDQCEHSA-N 412.306 4.399 0 1 HIAF COC(=O)c1cccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587802395 MCNKTRXYOLSHGZ-APBUJDDRSA-N 417.278 4.480 0 1 HIAF CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)CC1=O 653848950 NAYOZXVQLJRKTB-QFIPXVFZSA-N 423.944 4.405 0 1 HIAF Cc1ccc2c(c1)[C@]1(C(=O)N2)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961752324 VKODTZDSCCSGDF-VWLOTQADSA-N 419.525 4.342 0 1 HIAF COC(=O)c1c(C)[nH]c2c1[C@]1(CCC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962699479 IIXOTZZIQCQNCV-WNSKOXEYSA-N 414.546 4.192 0 1 HIAF Cc1cccc([C@@]2(c3ccc(Cl)nc3)NCCc3ccc(C(=O)N(C)C)cc32)c1 962927504 VRSGDLKJGMZBJC-DEOSSOPVSA-N 405.929 4.183 0 1 HIAF Cc1ccc([C@@]2(c3ccccc3Br)NCCc3nc4ccccn4c32)nc1 962988337 YALCKSMXSADLAM-JOCHJYFZSA-N 419.326 4.238 0 1 HIAF C[C@@]1(c2ccc(NC(=O)N3CCc4ccccc4C3)cc2)NCCc2ccc(O)cc21 963327847 AKFNXDQTPWDBHF-SANMLTNESA-N 413.521 4.392 0 1 HIAF CN1CCc2cn(C)nc2[C@@]1(c1ccc(Cl)c(F)c1)c1c(N)sc2c1CCC2 963955982 UBOASYPYXUZPBZ-OAQYLSRUSA-N 416.953 4.125 0 1 HIAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccnc2)CC1 1772583024 ANSJCTDHVHUASH-QAQDUYKDSA-N 416.449 4.403 0 1 HIAF C[C@@H](CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2Cc1ccc(F)cc1)C(F)(F)F 61908805 ACBFZUKIYPITFH-LBPRGKRZSA-N 409.383 4.054 0 3 HIAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)c(OC)c1 4732846 HOHOSBMFRWFCKS-UHFFFAOYSA-N 409.467 4.048 0 1 HIAF Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)c1 7669204 ASMQQSZQNGGULM-QFIPXVFZSA-N 408.523 4.248 0 1 HIAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1O[C@@H]1CCCO1 13536018 LQFOHBHJWWQMHJ-GOSISDBHSA-N 406.269 4.446 0 1 HIAF CC(=O)O[C@@H]1c2c(ccc3c2O[C@H](c2ccccc2)CC3=O)OC(C)(C)[C@@H]1OC(C)=O 14723005 MIUNHNXJASJSIX-WWPVKYPJSA-N 424.449 4.100 0 1 HIAF biogenic CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2ccc(CN)cc21 28952237 JORAVNYJLLWYGK-UHFFFAOYSA-N 405.546 4.287 0 1 HIAF CCO[C@H](Cc1ccc(OCCN2CC=C(c3ccc(F)cc3)CC2)cc1)C(=O)O 45496200 KFVSCFDCFVZILC-HSZRJFAPSA-N 413.489 4.026 0 1 HIAF COc1ccc(/C=C\c2cc(I)c(OC)c(OC)c2)cc1O 84617904 SHUZMTMATJDFEI-PLNGDYQASA-N 412.223 4.193 0 1 HIAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2cccc(OC(F)(F)F)c2)C1=S 95872339 NPYUCZZZEILCNL-UHFFFAOYSA-N 416.421 4.378 0 1 HIAF OC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN12 95873443 DKXOAUTXQRCGFG-ZONZVBGPSA-N 413.565 4.173 0 1 HIAF C[C@H]1CN(S(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)CC[C@@]12C=Cc1ccccc12 169316663 MKYSQFPCLREISL-BYYBNQSPSA-N 413.583 4.018 0 1 HIAF O=S(=O)(Nc1ncns1)c1ccc2c(N3CC[C@H]3c3ccccc3)cccc2c1 206154418 IKBFEOVTPSDHHE-IBGZPJMESA-N 422.535 4.444 0 1 HIAF COC(=O)C[C@H]1Oc2ccccc2-c2ccc3c(c21)C(=O)C(=O)N3Cc1ccccc1 299858704 GQZBAPAYQNYGKJ-HXUWFJFHSA-N 413.429 4.080 0 1 HIAF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ncc[nH]c-4n3)cc2)c(C)c1C 586951254 SEZQJJHAGLZNGR-UHFFFAOYSA-N 421.526 4.314 0 1 HIAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1)N1CCC1 586955718 LNQLOPHSJQEPHS-UHFFFAOYSA-N 418.252 4.209 0 1 HIAF FC(F)(F)c1cccnc1-c1nc2c(I)cnc(Cl)c2[nH]1 587108371 KJESWZOEZYDYLY-UHFFFAOYSA-N 424.551 4.297 0 1 HIAF Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(F)cc4[nH]3)o2)c1 587157541 NZXSWXWFRDSPHX-UHFFFAOYSA-N 405.202 4.439 0 1 HIAF CC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 587239300 JCJCLNBCCOZZTP-OMXJDXKCSA-N 413.518 4.321 0 1 HIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 587329298 DMEOQRINCWYJFJ-SIKLNZKXSA-N 414.335 4.149 0 1 HIAF Cc1ccc2c(c1Br)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587495790 FSIBPMJKLRZZEA-OAQYLSRUSA-N 412.283 4.449 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(Cl)c2)n1 587547859 NWAFSRWWJXJDFM-UGKGYDQZSA-N 419.824 4.329 0 1 HIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1ccc2c(c1)OCO2 587662106 UQEFMRKZJSMDJR-UHFFFAOYSA-N 419.437 4.176 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587723431 WXDKHBYGXFIDCW-MIYAWITISA-N 416.306 4.409 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2nccn2C)N1 587731932 MBSBNKZYFFYKJC-FKIZINRSSA-N 418.285 4.287 0 1 HIAF COc1ccc([C@@]2(CCN(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587741547 ODAGRNKCURZKBT-SPLOXXLWSA-N 421.354 4.326 0 1 HIAF CC(C)NC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587753759 ICIVUXIKPIBPSE-CWTRNNRKSA-N 405.311 4.350 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCC(=O)N3C)N1 587774561 OJBAETXMXVCLPH-QKVFXAPYSA-N 417.322 4.295 0 1 HIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O 587807366 NFOQTTYSKNICMP-BIBXISHDSA-N 422.294 4.320 0 1 HIAF C/C(=C\[C@]1(c2nccs2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587853875 OJYQGGAVMLTEMG-COAMDTCMSA-N 410.356 4.288 0 1 HIAF COc1ccc(-c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2C)c(OC)c1 587930861 WPBVJWFBLNHLSB-UHFFFAOYSA-N 412.453 4.198 0 1 HIAF O=c1cc(Cn2cc(COc3ccc(Cl)cc3)nn2)c2ccc(Cl)cc2o1 653754312 JYADUKRJSOIRKB-UHFFFAOYSA-N 402.237 4.319 0 1 HIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cscc2Br)N1 962962827 HSVUDIGVXIQMMD-GXFFZTMASA-N 408.651 4.131 0 1 HIAF NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)cc1 1772646108 MCTNGARCDMPDNT-FTJBHMTQSA-N 412.581 4.134 0 1 HIAF O=S(=O)(c1cc2ccccc2cn1)n1cc(C2=CCNCC2)c2ccc(Cl)cc21 1857584417 UORMCTTYFQCSGF-UHFFFAOYSA-N 423.925 4.457 0 1 HIAF Cc1ccc2c(=NC(=O)c3ccoc3C)[nH]n(Cc3ccc(C(F)(F)F)cc3)c2n1 1857597210 QSXQBCFBHMIRPL-UHFFFAOYSA-N 414.387 4.382 0 1 HIAF CC[C@@H](c1nnnn1-c1c(C)cccc1C)N1CCCN(Cc2ccc(F)cc2)CC1 95566856 DMXYYKOCGDWTRN-QFIPXVFZSA-N 422.552 4.077 0 3 HIAF CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Oc1ccc(C(=O)OC)cc1 1859654 RTPJZGNAVWGDQJ-UHFFFAOYSA-N 420.343 4.404 0 1 HIAF C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4045067 KRAMBMDTHQGLIN-XFEAKLGESA-N 421.472 4.454 0 1 HIAF C[C@H](NC(=O)CCCN1C(=O)CSc2ncccc21)C12CC3CC(CC(C3)C1)C2 4913022 BBJSSLBMEQELNX-SCUMNGBJSA-N 413.587 4.022 0 1 HIAF Cc1cc(SCCCC(=O)O)cc2c(CC(N)=O)c(C)n(Cc3ccccc3)c12 13446178 SDJBYTCJHFHLBV-UHFFFAOYSA-N 410.539 4.291 0 1 HIAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 13589445 XZSGGBXVBKHOFH-MJGOQNOKSA-N 404.551 4.399 0 1 HIAF CCCCn1nc(C)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13760987 MSZOAJZIAAZZKZ-UHFFFAOYSA-N 416.485 4.128 0 1 HIAF CC(=O)C1=NN(c2cc(F)ccc2F)C[C@]1(CCCN1CC(F)C1)c1ccccc1 28953432 LKGCROMJAWADLL-HSZRJFAPSA-N 415.459 4.102 0 1 HIAF COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cnc3ccccc3c2)c(Cl)c1 40880257 RAEOAJBOVOPUDI-UHFFFAOYSA-N 418.902 4.088 0 1 HIAF CCN1CCC[C@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cc(OC)ccc32)C1 49037575 ANKIDBINXHGJGY-KRWDZBQOSA-N 416.518 4.279 0 1 HIAF CC[C@H](Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12)c1nc(C)no1 64548695 PBRQNCRJFWIHTN-KRWDZBQOSA-N 420.521 4.037 0 1 HIAF CCCCN1C[C@H](CSC)[C@H](CC(=O)Nc2ccc(Br)cc2)C1=O 72136652 XRQZFAYRQQGPFB-CJNGLKHVSA-N 413.381 4.015 0 1 HIAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)NCCC2=CCCCC2)co1 82072777 NUMDFRGHFZSVRM-NRFANRHFSA-N 407.514 4.261 0 1 HIAF COc1ccc(CSc2nc(O)c(C)c(C(=O)c3ccc(F)c(F)c3)n2)cc1 96940096 QPCDOTBUUMNUPV-UHFFFAOYSA-N 402.422 4.301 0 1 HIAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C 100736991 XSYGBVSQKPLETJ-UWHLTILDSA-N 401.453 4.095 0 1 HIAF CCCCCOc1ccc(C(=O)N[C@H](C)C(=O)N[C@@H]2CCc3ccccc3C2)cc1 135766755 CVJUGGSXRCYDMH-XMSQKQJNSA-N 408.542 4.048 0 1 HIAF CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@@H]12 169307588 LAAZEJPVRHNOIV-HDIOYNLWSA-N 417.962 4.155 0 1 HIAF CNc1nc2ccc(OC)cc2cc1Cc1c(=O)[nH]c(C)c2cc(OC)c(OC)cc12 201639346 FWQGMVUNVROMOR-UHFFFAOYSA-N 419.481 4.043 0 1 HIAF Cc1c(Br)ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586920000 CIOQCIJNMZWNBC-UHFFFAOYSA-N 419.344 4.139 0 1 HIAF COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1OC 587002000 VVQVFSYLRDYXGH-ZDUSSCGKSA-N 415.291 4.066 0 1 HIAF O=S(=O)(c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1)C(F)(F)F 587142920 QVDPPUPQVQECGK-UHFFFAOYSA-N 423.185 4.425 0 1 HIAF COc1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cc1F 587154494 QQCVNRYDIOZRTD-UHFFFAOYSA-N 415.421 4.318 0 1 HIAF Cc1ccc2c(c1)[C@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355422 DERSNTDEPKFTLK-UPVQGACJSA-N 404.393 4.403 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc3c(C)c(C)c(=O)oc3c1C)O2 587409610 RXWBYPXAFPHBFY-XMMPIXPASA-N 407.466 4.412 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H](NC(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587433946 XQNTYQVICQVMDP-VUMVONDWSA-N 407.466 4.050 0 1 HIAF CCC[C@H](CC1(c2nc3c(N)ncnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781556 LAVYNSGNYANIHA-QGZVFWFLSA-N 407.518 4.297 0 1 HIAF CC(C)Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CO 587789925 DUSCDGHPBQXBSX-ODXCJYRJSA-N 408.311 4.491 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCC(=O)O)c2)N1 587798429 XUCFFPUEXOZGFG-NSPYISDASA-N 408.267 4.065 0 1 HIAF COc1cccc([C@@]2(CC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587805964 GZGJRRKGGPPYQQ-MPBGBICISA-N 406.295 4.354 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC3C[C@H]2CC(C(=O)O)(C3)C1 587824387 BLSBQLCMKKYNGD-CXDLXDAJSA-N 408.311 4.229 0 1 HIAF C[C@@H](C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O 587827666 LUCQHFATOULJOW-MRRFBWAASA-N 406.295 4.477 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc4c(cc32)OCCO4)N1 587835544 PKRXOVUVDAVPNV-GIPWTMENSA-N 404.279 4.083 0 1 HIAF Cc1csc([C@H](C)Oc2cc(-c3cc(N4CCC4)nc(C4CC4)n3)cnc2N)n1 653685024 IZSWOHGDYNYOSX-ZDUSSCGKSA-N 408.531 4.113 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc(O)c3ccccc23)N1 962709512 QUBVATNZMALESU-PKOBYXMFSA-N 405.347 4.392 0 1 HIAF COc1cc(-c2ccccc2)c([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1OC 962920972 NLBTVLLJFSLBBK-REWPJTCUSA-N 407.441 4.198 0 1 HIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1 962964973 KISCAGYHOABXRX-IAQYHMDHSA-N 407.722 4.031 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]3(C(=O)O)c1cc(Cl)ccc1Cl 963052950 HNWQWCFAAMZEBX-HXUWFJFHSA-N 403.265 4.024 0 1 HIAF Nc1c(C(=O)O)cnn1-c1ccc(C[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 1772648460 WXFLZUANVOFOCF-NRFANRHFSA-N 411.461 4.362 0 1 HIAF COc1cccc(Cc2cc(C)nn([C@H](C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 1857618626 JQMCPEBDJPMQGI-OAHLLOKOSA-N 411.889 4.004 0 1 HIAF CCCCNC(=O)[C@@H]1CC=C[C@@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 12478697 SBXFNBUEEIXBMA-MDZRGWNJSA-N 409.357 4.451 0 3 HIAF CO[P@](=O)(C[C@@H](O)CC(=O)O)NCc1c(C)cc(C)cc1-c1ccc(F)c(C)c1 1548206 WPYBYIGKEPCPQJ-SFNQZPIRSA-N 423.421 4.183 0 1 HIAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 4049446 BCIZNGDAPSYZNH-TZIWHRDSSA-N 417.912 4.029 0 1 HIAF C=CCN1CC(=O)N2[C@@H](c3ccc(C(C)C)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16042824 IYAOGRVLVMBETK-RDGATRHJSA-N 413.521 4.162 0 1 HIAF biogenic CCCc1ccc(S(=O)(=O)n2c3ccccc3c3ccc(OCC(=O)O)cc32)cc1 28883063 RBBNVYWJKJXKAJ-UHFFFAOYSA-N 423.490 4.447 0 1 HIAF COc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(F)cc2)cc1 72122741 CDLSFGHWEUZXTF-UHFFFAOYSA-N 409.442 4.354 0 1 HIAF CCCCn1c2ccccc2c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ncc21 84466280 FOVPWPAYZJKQKS-NRFANRHFSA-N 415.493 4.415 0 1 HIAF O=C(SCCCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1 100899703 DQEFPMAYIWMEDM-ZJOUEHCJSA-N 415.580 4.121 0 1 HIAF O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2ccc(F)cc2)CCCN1 103216759 YMCRTSYATREITB-IBGZPJMESA-N 412.571 4.284 0 1 HIAF C[C@]1(COCc2ccc(OCc3ccccc3)cc2)CCn2cc([N+](=O)[O-])nc2O1 115602955 VWGRTYXITWEZSS-JOCHJYFZSA-N 409.442 4.128 0 1 HIAF O=C(Nc1ccc(C2CCN(C(=O)[C@H]3CCCO3)CC2)cc1)N1Cc2ccccc2C1 166823754 VTCOREYAXFBHME-HSZRJFAPSA-N 419.525 4.119 0 1 HIAF O=C(Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(C(=O)C3CC3)[C@@H](C2)C1)C1CC1 169314667 NGFBUGLKOZJRRD-LVXARBLLSA-N 401.506 4.245 0 1 HIAF CCN(CC)CC(=O)Nc1c(Cc2nccc3ccccc23)ccc(OC)c1OC 169323662 AYYBDSIEMNIKNQ-UHFFFAOYSA-N 407.514 4.123 0 1 HIAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=C(F)c2ccc(Cl)c(Cl)c2)CC1 222846693 GYDNBJRNRTVGET-UHFFFAOYSA-N 418.321 4.499 0 1 HIAF COc1ccccc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC=C(C)C4=C[C@@H]32)CC1 504379774 JYQVXEKPJQQPDT-WNBHKESASA-N 422.569 4.052 0 1 HIAF biogenic Cc1cncc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 586967961 HWUJEFSUFOXYAY-GJZGRUSLSA-N 420.542 4.115 0 1 HIAF c1cc2c(cc1-c1nc(Cc3nc4cc5c(cc4[nH]3)OCCCO5)cs1)OCCO2 587018447 BMGQWGMGFSJCES-UHFFFAOYSA-N 421.478 4.210 0 1 HIAF Fc1ccc2nc(C(F)(Br)Br)[nH]c2c1Br 587088568 OWKRMCWSSZRRHB-UHFFFAOYSA-N 404.834 4.334 0 1 HIAF O=C(O)c1cc(F)cc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183548 DSDFEESPSYEJJC-SNAWJCMRSA-N 408.170 4.175 0 1 HIAF CN(C)c1ncccc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 587195931 OWUDFGSQXHVALI-UHFFFAOYSA-N 401.186 4.352 0 1 HIAF CCOc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344078 BUELIATXJHQRFN-XUZZJYLKSA-N 419.408 4.137 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccc(C(=O)O)o3)cc1)O2 587403353 HBZPFKRZNRNFEV-HSZRJFAPSA-N 407.422 4.328 0 1 HIAF COc1ccc(-n2ccnc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587579193 TUMGONAHVUFGGY-OFNKIYASSA-N 414.417 4.289 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(Br)c2)N1 587688166 WZDSPIVNZPUWGF-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF COC[C@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587723572 BKZYGXMYAWYWAF-XTZNXHDOSA-N 400.238 4.291 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2N2CCOC2=O)N1 587768670 VMCPNUZTMKIXBX-ODXCJYRJSA-N 419.294 4.343 0 1 HIAF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CO 587798537 YNSUTUBQGVXPIU-YUNKPMOVSA-N 408.311 4.493 0 1 HIAF CCOC(=O)[C@]12CCCC1=C[C@]1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800831 ZTRUUZCJDKAGGH-OCCQLPPTSA-N 408.311 4.381 0 1 HIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587804077 AMMGUMICAFEVRR-BIBXISHDSA-N 424.310 4.412 0 1 HIAF COc1ccc2c(c1)C[C@H](c1nc3ccc(I)cc3[nH]1)CC2 587946068 JHJQLEQQXKKRLA-GFCCVEGCSA-N 404.251 4.449 0 1 HIAF COC(=O)c1ccsc1[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962625219 BFMXRCXRLZLHCO-UGKGYDQZSA-N 404.535 4.371 0 1 HIAF C[C@@]1(c2cc(-c3ccc(F)cc3)no2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962759521 BVWHCDAPBFJBPJ-YLJYHZDGSA-N 404.363 4.390 0 1 HIAF CCOc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc(Cl)c1OC(C)C 963487843 DYNAOXXLRMXQAQ-FXAWDEMLSA-N 419.905 4.228 0 1 HIAF CCOC(=O)/C=C/c1cc2c(cc1/C=C/c1cc(OC)c(OC)c(OC)c1)OCO2 1772642502 ZPOSHBVSAOFYRX-BLHCBFLLSA-N 412.438 4.188 0 1 HIAF CCOC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 1857534327 KQCOGZYDEBZMPK-GOSISDBHSA-N 414.458 4.029 0 1 HIAF CN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2cn(C)c3ccccc23)C1=O 1857547062 CMFYOVXSSRZCCR-UHFFFAOYSA-N 421.500 4.267 0 1 HIAF O=C(CCN1CCN(Cc2cccc(F)c2)CC1)Nc1nc(-c2ccccc2)cs1 1857565890 GQMCVNHURZGQBY-UHFFFAOYSA-N 424.545 4.096 0 1 HIAF C[C@H](CCCCCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O 2356345371 PHSQDXKUQRUWOG-CDVBAKLBSA-N 400.556 4.180 0 1 HIAF COc1cccc(CN2C(=O)COCc3cc(-c4cccc(C(=O)O)c4)ccc32)c1 205224268 ZPIUEXOGNIRBAC-UHFFFAOYSA-N 403.434 4.124 0 3 HIAF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](N(C)C)CC2 2033717 DRMQVIHZIPYEFV-INIZCTEOSA-N 401.528 4.010 0 1 HIAF O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4205961 VXPXBZOOLVKWLF-UYAOXDASSA-N 417.962 4.095 0 1 HIAF COC[C@H](Cc1ccccc1)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13795019 PVSGGRGRZXFBNS-FQEVSTJZSA-N 416.529 4.114 0 1 HIAF COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc2c1OCO2 18283989 ISBKEYQPAWAMRF-HKKFXGGESA-N 400.427 4.246 0 1 HIAF biogenic,in-vitro CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]1SC(=O)c1ccccc1 27414717 NPKUUMKZGFOQPU-FGTMMUONSA-N 403.544 4.061 0 1 HIAF N[C@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F 28823832 PULSUJWEIAPMEE-KDOFPFPSSA-N 404.823 4.145 0 1 HIAF CC(C)(C)c1ncc(NC(=O)CCc2nc(-c3ccc(F)cc3Cl)no2)cn1 40428853 OLHXKPCTKJZNJB-UHFFFAOYSA-N 403.845 4.188 0 1 HIAF CN1[C@H]2CC[C@@H]1[C@@H](c1cn(CCN3CCCCC3)nn1)[C@@H](c1ccc(Cl)cc1)C2 40974071 SJWVXKKZCOEXIE-KKSHJYNMSA-N 413.997 4.151 0 1 HIAF COc1ccc(CCCCN2C(=N)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 45231017 CCUMJGAYTZTDMQ-UHFFFAOYSA-N 413.521 4.328 0 1 HIAF COc1ccc(CCNc2cc(Oc3cccc4cccnc34)ncn2)cc1OC 82067667 CZQISXAMPJKUBC-UHFFFAOYSA-N 402.454 4.489 0 1 HIAF COc1cc(Nc2cc3c(cn2)nc(NCc2ccccc2)n3C)cc(OC)c1OC 82078700 VHQNLMXNSKBCLJ-UHFFFAOYSA-N 419.485 4.350 0 1 HIAF CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N1CCCCC1 82082439 STUBVHDRQMYIKG-OAQYLSRUSA-N 405.498 4.262 0 1 HIAF CS(=O)(=O)NCCCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 96905906 OBRJNPVQKURJJW-UHFFFAOYSA-N 419.959 4.430 0 1 HIAF O=C1O[C@H](COc2cccc3[nH]c4ccccc4c23)CN1CCOc1ccccc1O 96939317 IWHKJJOOPPEQLJ-INIZCTEOSA-N 418.449 4.305 0 1 HIAF FC(F)(F)CN1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F 100086002 RFJGDFNFIPRZGO-ITGUQSILSA-N 417.191 4.026 0 1 HIAF Cc1ccc2ccccc2c1C(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 116823145 CJUYFTMJBXJBFH-WOJBJXKFSA-N 408.505 4.300 0 1 HIAF CCC[C@H](Nc1cncc(-c2ccc(C(=O)NCCN(C)C)cc2)n1)c1ccccc1 136840706 IGVQRCQKLYRQIR-QFIPXVFZSA-N 417.557 4.388 0 1 HIAF O=S(=O)(c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2)N1CCOCC1 169311177 LPXBZYACXYOFTH-MRZVEPLBSA-N 424.566 4.004 0 1 HIAF COc1cc(OC)cc(N(CCF)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 222885725 IWPIUSKMWHWQQF-UHFFFAOYSA-N 407.449 4.155 0 1 HIAF c1cc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)ccn1 223011824 CVBSMFLAQBNRGI-UHFFFAOYSA-N 423.586 4.082 0 1 HIAF O=[N+]([O-])OCCCO[C@@]1(c2ccc(-c3ccccc3)cc2)CN2CCCC[C@H]2CO1 253637495 GBXOBAOTOKUUGH-GOTSBHOMSA-N 412.486 4.006 0 1 HIAF Oc1cccc([C@H](O)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 586892448 RCHUPDSZZANHCB-ZDUSSCGKSA-N 403.154 4.011 0 1 HIAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 586944206 GYTKBGBORSGFIR-UHFFFAOYSA-N 423.469 4.050 0 1 HIAF CCOc1cc2oc(=O)c(-c3nc4ccnc(C)c4[nH]3)cc2cc1Br 587001165 WTWUSFDHGBSTBJ-UHFFFAOYSA-N 400.232 4.201 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3ccc(Br)c(C)c3[nH]2)C(F)(F)F)n1 587094326 PRDJYXQBJGJSFO-AWEZNQCLSA-N 420.254 4.391 0 1 HIAF CCOC(=O)C[C@H](C(=O)OCC)c1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587107282 ROCWUEYCDUTYLL-SFHVURJKSA-N 417.461 4.355 0 1 HIAF Cc1cc(Br)c2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 587148246 HAJBRGJLVFACTO-GFCCVEGCSA-N 420.257 4.428 0 1 HIAF CC[C@H](c1nc2ccc3ncccc3c2[nH]1)n1cc(I)c(C)n1 587184255 HAMRBLQTTBGEGW-OAHLLOKOSA-N 417.254 4.220 0 1 HIAF CCOC(=O)Cc1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587205334 PNVNRFLRCBTBPZ-QGZVFWFLSA-N 403.523 4.150 0 1 HIAF CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587339586 QUCNEUZOAUZYCE-QPPBQGQZSA-N 403.409 4.152 0 1 HIAF Oc1nc(O)c2ccc(-c3ccccc3OCc3ccc(Br)cc3)nc2n1 587365907 IGLQDTMMFFBJBC-UHFFFAOYSA-N 424.254 4.445 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(C)c(C)cc3n3nnnc13)CC2=O 587481657 HGCAVEJMCFXNCU-NRFANRHFSA-N 402.454 4.259 0 1 HIAF O=C1C[C@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587528286 YOVCNGJXJDCEAE-OAQYLSRUSA-N 402.450 4.433 0 1 HIAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)nn1C 587554135 HKAMEJPOTPNHCE-CRAIPNDOSA-N 404.344 4.156 0 1 HIAF CC(C)NC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587570400 IPEIYFDETVAXDC-OFNKIYASSA-N 403.434 4.233 0 1 HIAF COc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O 587592258 JPZDJVVWTYXRIP-QPPBQGQZSA-N 406.434 4.460 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587725352 CSHQOBOXSKIXCB-FKIZINRSSA-N 424.285 4.458 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)C(Br)=C2F)N1 587739701 VLQIJNVFUDXMHI-VXJOIVPMSA-N 420.095 4.310 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccc(N)cc2)N1 587747823 SBNAACFCUOFPLF-YEJXKQKISA-N 412.306 4.392 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)O)c3ccccc23)N1 587754572 DYXFWENEEHJLEU-YBTHPKLGSA-N 417.278 4.251 0 1 HIAF CCOC(=O)[C@H](C)n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757403 VKSYXMHKVAJAOW-OAVHHTNSSA-N 409.299 4.137 0 1 HIAF CCOC(=O)COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587790746 GEMVSTDRCQVNQQ-YUNKPMOVSA-N 422.294 4.154 0 1 HIAF COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)=O 587804518 BOJXFIATBDBUHP-MLCYQJTMSA-N 408.267 4.146 0 1 HIAF Cc1c2cc(-n3ccc(OCc4nc(C(F)(F)F)cs4)cc3=O)ccc2nn1C 653715525 XMNXODJNMMIWIF-UHFFFAOYSA-N 420.416 4.087 0 1 HIAF CC[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963021484 GGEJKBVKZWBMSE-LMKMVOKYSA-N 406.526 4.345 0 1 HIAF O=C(/C=C/c1cccc(O)c1)Oc1ccccc1OC(=O)/C=C/c1cccc(O)c1 1857639326 KVBSUYQBNIHOPE-PHEQNACWSA-N 402.402 4.335 0 1 HIAF O=C1c2ccccc2CCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644461 OJYOSRIPIOKKLN-GOSISDBHSA-N 406.432 4.132 0 1 HIAF COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CN(C)CCO)C=C3C)o2)cc1 2356301976 JDFCFUOYBDKQBJ-VWPQPMDRSA-N 413.562 4.066 0 1 HIAF CCCCOc1ccc([C@@H](C)NC(=O)CCS(=O)(=O)Cc2ccccc2F)cc1 2940955 ALMJZCWQYLXHEI-QGZVFWFLSA-N 421.534 4.187 0 3 HIAF O=C([C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)N1CCOCC1 767091 AFDDYPGUEZLJHR-ZCYQVOJMSA-N 412.489 4.304 0 1 HIAF Cc1c(C(=O)N[C@@H](C)c2ccccc2)oc2ccc(S(=O)(=O)N3CCCC3)cc12 2459979 UIAUHWHMBGFNEF-INIZCTEOSA-N 412.511 4.017 0 1 HIAF COc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1 2724757 ZWYRVOAQOXCUKD-JOCHJYFZSA-N 408.404 4.157 0 1 HIAF CCOCCn1cc(C2CCN(Cc3ncccc3C(=O)O)CC2)c2ccccc21 13586280 LRBSLCJILMAIJQ-UHFFFAOYSA-N 407.514 4.151 0 1 HIAF COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@H](O)[C@H]3CCCCN3)c2c1 27523584 GFOSNCCJLRKHLB-CJNGLKHVSA-N 408.342 4.457 0 1 HIAF CN1CCC[C@@H](N2C(=O)CN=C(c3ccccc3Cl)c3cc(Cl)ccc32)C1 27755386 QAHGKBRLQGDJTD-OAHLLOKOSA-N 402.325 4.272 0 1 HIAF COc1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1 28126695 RTEFVMHYHYMZPM-OAQYLSRUSA-N 406.862 4.365 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@@H]2CN3c2ccc(Cl)cc2)nc1 28824509 VXLCATWCUQGGAQ-RTBURBONSA-N 419.916 4.037 0 1 HIAF Cc1c(NCc2ccccc2)nc(-c2ccc(S(C)(=O)=O)cc2)nc1C(F)(F)F 29132201 FDOPNLKNBDADAV-UHFFFAOYSA-N 421.444 4.486 0 1 HIAF Cc1cc(/C=C/c2ccccc2OC[C@H](O)CN[C@@H](C)CCc2ccc(O)cc2)on1 29232258 SRGALVVKLPDAAI-YKRVQPLSSA-N 422.525 4.210 0 1 HIAF Cc1csc(Nc2ncnc3ccc(Oc4ccccc4S(C)(=O)=O)cc23)n1 45285569 NTFJFTGZRKWDEO-UHFFFAOYSA-N 412.496 4.334 0 1 HIAF O=C(NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1)C1CC1 72103440 HKIADOMZSFUNHM-FQEVSTJZSA-N 403.448 4.180 0 1 HIAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC(C)=O 72107330 BTPPTKNDFCHCIC-OEBXLPCGSA-N 419.587 4.283 0 1 HIAF CCC[C@H](Oc1cnn(-c2cccc(C)c2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 73240579 AESZMKKULCOPFY-QFIPXVFZSA-N 421.497 4.305 0 1 HIAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 82192859 AKFJNRGYGYALQC-LKQAVPRTSA-N 424.516 4.155 0 1 HIAF CC[C@H]1COc2c(F)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 95554637 JOEJNYHJRTUVDE-NRQKSQBESA-N 410.489 4.183 0 1 HIAF COCCCCC1(CNC(=O)[C@@H]2CCCNC2)c2ccccc2Oc2ccccc21 95580782 DRGBEZGEYKBZRH-LJQANCHMSA-N 408.542 4.011 0 1 HIAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ccncc2s1 96282796 DRETWIZRXSLHTL-UHFFFAOYSA-N 408.504 4.059 0 1 HIAF c1ccc(-c2csc3ncnc(N4C[C@@H]5C(COCCN6CCCC6)[C@H]5C4)c23)cc1 146467591 KQZZFJQHRKMMKY-OALUTQOASA-N 420.582 4.153 0 1 HIAF Cc1ccc(N2CCc3ncnc(NCc4ccc(OC(F)(F)F)cc4)c3C2)nc1 202608849 UXBPIWLTSQTCOS-UHFFFAOYSA-N 415.419 4.253 0 1 HIAF CCC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2Cc2ccc(F)cc2F)C1 204903441 PFXGBDGZVSAUSM-UHFFFAOYSA-N 406.436 4.043 0 1 HIAF N[C@@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)CC1 205257215 KVEJZUZWKMNBSE-MRXNPFEDSA-N 402.477 4.144 0 1 HIAF CCOc1cccc([C@]2(N3CCN(c4cccc(OC)n4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 261171322 TUAILPCAUJWQFS-YNKZSDBMSA-N 407.558 4.182 0 1 HIAF O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1cccc(Cl)c1 299838626 QRTUGFDKIIABQN-LJQANCHMSA-N 415.921 4.138 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2c1 586908037 PZQSETXOYZTTAZ-JTQLQIEISA-N 417.259 4.083 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)c(F)cc2[nH]1 586935492 IFHGKJJGJGYPIB-MRXNPFEDSA-N 421.563 4.400 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(F)cnc(Cl)c3[nH]2)cc1 587043976 WQEAITQGJZRETH-CYBMUJFWSA-N 406.870 4.037 0 1 HIAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587091050 GQZJDCJXZPOPBG-LBPRGKRZSA-N 419.285 4.309 0 1 HIAF Fc1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2cc1-n1cccn1 587119995 MVBWSPZEZRWXJR-UHFFFAOYSA-N 404.371 4.030 0 1 HIAF Cc1ccc2c(ccc3nc([C@H](C)n4ncc(I)c4C)[nH]c32)n1 587182895 TZHANKJJUFDEOD-NSHDSACASA-N 417.254 4.138 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cccc(Br)c1)O2 587376752 KGXFRRKMUHKXGH-AQKVLALTSA-N 401.304 4.276 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCc4ccccc4)[C@H](C)C1)[C@@H](C2)C3=O 587436476 RPIQLIZPRYKOJN-YOQPTCTGSA-N 407.466 4.003 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C(F)(F)C(F)(F)F)CC2=O 587461908 NYKTYWYWDBDFBR-MRXNPFEDSA-N 410.335 4.200 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1c(Cl)ncnc1Cl 587555033 ZCSOUYNOWWKWGF-LSDHHAIUSA-N 403.221 4.062 0 1 HIAF COc1ccccc1N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583279 REEKUMPTXTUTDC-QFIPXVFZSA-N 417.461 4.402 0 1 HIAF CC(C)(C)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587598922 YWXYHYKIJHKOSA-NLFFAJNJSA-N 415.445 4.499 0 1 HIAF COc1cccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587740806 FMZAPDAAIKSCFG-MPBGBICISA-N 421.310 4.375 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@H]2Cn2cncn2)N1 587758376 IPRMCPDKOCBFCR-WTANOLMUSA-N 407.331 4.190 0 1 HIAF COc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 587779806 WEINZWNRQWMVIZ-OVWNDWIMSA-N 417.278 4.474 0 1 HIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587784423 GXSYANXXNZNGAU-STQMWFEESA-N 418.234 4.111 0 1 HIAF Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1 653696881 SAKDTAGMLZIMLF-UHFFFAOYSA-N 415.833 4.297 0 1 HIAF CCOC(=O)CCC[C@]1(c2cc(C)c(OC)c(C)c2)NCCc2nc3ccccn3c21 962981033 CRSXWWCONHFXGT-RUZDIDTESA-N 421.541 4.082 0 1 HIAF O=C(O)c1cccc2c1[C@@]1(c3ccc(F)cc3C[C@H]3CCCN31)c1ccccc1C2=O 963089198 GDBJAALEUHVUTH-WGDIFIGCSA-N 413.448 4.381 0 1 HIAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cccnc3)cc2NC(=N)C1 1772650163 SZRMFAHLOGGMHM-UHFFFAOYSA-N 405.502 4.159 0 1 HIAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccsn1 1857546296 PAADBPKLHQQERK-UHFFFAOYSA-N 402.401 4.234 0 1 HIAF Cc1cc(-c2ccco2)cc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c1 1857557647 NSQOSTHQXHEYIV-UHFFFAOYSA-N 421.474 4.292 0 1 HIAF CCS(=O)(=O)Nc1cc(-c2ccccc2OCc2ccccc2)cn2c(C)nnc12 1857584491 DATAVZOIQHGWRG-UHFFFAOYSA-N 422.510 4.045 0 1 HIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCC(=O)OCC 2356457304 LNTDXQBTXGZQAB-QHAWAJNXSA-N 423.594 4.099 0 1 HIAF CC1(C)[C@H]2CC[C@](C)(O)[C@@H](COc3ccc4oc(=O)ccc4c3)[C@]2(C)CC[C@H]1O 2356539084 BVWJOHUOYZAXKK-FRXMWESWSA-N 400.515 4.136 0 1 HIAF Cc1ccc(CN2CCCC[C@@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 200053466 QXSOUPSBCCJMNM-LJQANCHMSA-N 404.432 4.325 0 3 HIAF CCC[C@H]1[C@@H](NS(=O)(=O)c2ccccc2C)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206041473 YGHQBYUZZAUINK-QTDGGUCWSA-N 418.603 4.013 0 3 HIAF C[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 2724684 DSPJRFUPQVUUDT-CMJOXMDJSA-N 422.431 4.302 0 1 HIAF CCCc1cccc(-c2ccc(CCC[C@H](P(=O)(O)O)S(=O)(=O)O)cc2)c1 13746374 YPYHANFJJYXHHY-LJQANCHMSA-N 412.444 4.020 0 1 HIAF CCOc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCCC3)c2)CC1 13779639 FRUUDFUCYLDNKU-UHFFFAOYSA-N 421.585 4.424 0 1 HIAF CCN(CCCCC[C@H](C)F)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 13909709 YZBMUXUJPCBQFJ-PXNSSMCTSA-N 402.576 4.112 0 1 HIAF COc1cc2ncnc(N3CC[C@@H](Oc4ccc5ccccc5c4)C3)c2cc1OC 14956477 UPTQSRGSSJRBKJ-LJQANCHMSA-N 401.466 4.458 0 1 HIAF in-vivo COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](CC(C)C)NC2(C)C)c2ncccc2c1 28475056 VSVHYNLJRIQUHK-UWJYYQICSA-N 412.578 4.407 0 1 HIAF COc1ccc2c(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 29131826 ICBBKLWAGXRVSD-FCJCMXMISA-N 419.565 4.480 0 1 HIAF O=c1c2ncn(-c3ccccc3)c2nc(N2CCCCC2)n1-c1ccc(Cl)cc1 40936352 CMAKPPYGBXWAOJ-UHFFFAOYSA-N 405.889 4.215 0 1 HIAF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(OCc3ccccc3)c2)cc1 45227872 VJHSVZTVCILNNH-CLOONOSVSA-N 419.521 4.306 0 1 HIAF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(=O)O)cc1 45284644 PPLVDBKGJPKXLH-HSZRJFAPSA-N 421.537 4.208 0 1 HIAF Cc1cc(C(=O)Nc2cccc(-c3ncnc4nc[nH]c34)c2)ccc1Br 95602278 YIGMEJTVFGGEMX-UHFFFAOYSA-N 408.259 4.343 0 1 HIAF Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2nnc(-c3ccccc3)o2)c1 103169521 AYGLZUWYIXSZHC-UHFFFAOYSA-N 410.499 4.060 0 1 HIAF CN1C(=O)C(C)(C)[C@@](C)(c2cc(Nc3ccc(C(F)(F)F)nc3)ccc2F)N=C1N 114108747 KUJOFLZJLRFNEG-LJQANCHMSA-N 423.414 4.011 0 1 HIAF CO[C@H]1[C@@H](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 118919935 YFCXYSVMBVPMGK-XXTIFUOPSA-N 422.606 4.103 0 1 HIAF CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711148 QAAOBQZCHWUKTE-IZAXUBKRSA-N 404.576 4.110 0 1 HIAF COC(=O)C1=C[C@@H]([C@@H](C)[C@H](OC)c2ccccc2Br)[C@H]2OCCC[C@@H]12 195481027 COSCUZRDNFVXDW-MGYLJIMESA-N 409.320 4.297 0 1 HIAF Cc1ccc(C[C@@H](O)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1 221601235 YPAACVDRGCUVKD-HSZRJFAPSA-N 401.441 4.119 0 1 HIAF NCC[C@H]1CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)c(-c3ccc(O)cc3)n21 223452794 PMKXIEFCLZIQLZ-INIZCTEOSA-N 415.415 4.180 0 1 HIAF CC1(C)C=Cc2c(ccc(-c3coc4cc5c(cc4c3=O)C[C@@H](C(C)(C)O)O5)c2O)O1 238758624 JOBXDQQOBZCDBR-NRFANRHFSA-N 420.461 4.424 0 1 HIAF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1 299884955 USZOQDIAEYNHIZ-JAXLGGSGSA-N 414.933 4.442 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2c1 587021024 HXAPHRTVVNHYTA-UHFFFAOYSA-N 415.544 4.020 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047952 CPOLCBGBPKLAMC-NWDGAFQWSA-N 410.326 4.391 0 1 HIAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)no2)n1 587118539 OGJSCBFEAIBFGP-UHFFFAOYSA-N 403.151 4.183 0 1 HIAF COC(=O)c1cc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2cn1 587143868 BTIWXUHQINVRMA-UHFFFAOYSA-N 405.385 4.224 0 1 HIAF Cc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Br 587184754 MOMKQYNWXSAHBE-UHFFFAOYSA-N 414.044 4.300 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ccnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587240755 VYRDTEHNQRZZKE-GIQGCJHYSA-N 406.914 4.166 0 1 HIAF Nc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c2ccccc2n1 587253509 JWXVGQBPBGYNAI-UHFFFAOYSA-N 419.080 4.280 0 1 HIAF COc1cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2cc1OC 587258249 CRSIHJYTMHNPID-KRWDZBQOSA-N 404.470 4.152 0 1 HIAF CC[C@@]1(c2ccc(OCCCCC(=O)O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441980 NICSXSVWRBOMCK-DVECYGJZSA-N 410.466 4.382 0 1 HIAF Cc1ccc(Br)c2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587497176 LARZKNCFPZIXTB-NRFANRHFSA-N 412.283 4.449 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587754059 KKHIYWLGHQBQLQ-YJYMSZOUSA-N 415.310 4.409 0 1 HIAF COc1ccc(C[C@]2(C(F)(F)F)NCCc3cc4cccc(OC)c4nc32)cc1 963050765 CXGLETLUFDAOCR-NRFANRHFSA-N 402.416 4.398 0 1 HIAF COc1cccc(-c2cc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)ccn2)c1 1772635247 ZWVXOQTXNTYSIG-UHFFFAOYSA-N 421.928 4.369 0 1 HIAF Cc1ccc2nc3n(c(=O)c2c1)-c1ccc(Cl)cc1C(=O)N[C@@H]3Cc1ccccc1 36389185 UVTMDBILEZSVLZ-HXUWFJFHSA-N 415.880 4.375 0 3 HIAF CS(=O)(=O)Nc1cccc(NC(=O)c2cccc3c(-c4cccnc4)coc23)c1 61926184 RHFKYCFSRWICTL-UHFFFAOYSA-N 407.451 4.119 0 3 HIAF COC(=O)[C@@]12C=C3CC(c4ccc(C)s4)=C3C(=O)N1Cc1[nH]c3ccccc3c1C2 96018510 VAAHJJVJQMOUDW-DEOSSOPVSA-N 416.502 4.132 0 3 HIAF Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C2CCCCC2)c1 3021798 KBPKMUZCVFMKNA-UHFFFAOYSA-N 404.507 4.340 0 1 HIAF CCCCNc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C 3840565 LHEBXTCMVABHAM-RKZIZZHUSA-N 419.635 4.323 0 1 HIAF biogenic CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCCN1CCCC1 4213025 KCRBTPANROGQTI-PKTZIBPZSA-N 415.578 4.311 0 1 HIAF CC(C)(C)NC(=O)c1ccccc1CC[C@@H](O)Cc1ccccc1C(=O)NC(C)(C)C 5885574 FGWJLASYSLJOQW-HXUWFJFHSA-N 424.585 4.279 0 1 HIAF Cc1ccc(CSc2nc3cccnc3n2Cc2cc(=O)n3ccccc3n2)cc1 6877813 QUMSXXFZMKFWST-UHFFFAOYSA-N 413.506 4.088 0 1 HIAF C[S@@](=O)c1c(Br)[nH]c2cc(Br)cc(Br)c12 14769652 SSXBWYWPNBZASD-HNNXBMFYSA-N 415.932 4.193 0 1 HIAF biogenic Cc1c(-c2ccc(O)cc2)n(Cc2ccc(CNCCN)cc2)c2ccc(O)cc12 19364310 FCDXQNODGQASCW-UHFFFAOYSA-N 401.510 4.125 0 1 HIAF O=C(c1ccncc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc3ccccc3c2)ccc1=O 25430388 QNNBSMASMNRZGW-JPYJTQIMSA-N 421.500 4.323 0 1 HIAF biogenic CCC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)c(Cl)c1)N2 36271285 IPBBJWDRJMAEIL-TWINXVHLSA-N 403.691 4.148 0 1 HIAF COc1cc(-c2nc(C(C)(C)CN)[nH]c2-c2ccncc2)ccc1Br 45337307 AFQYSARPQARJJK-UHFFFAOYSA-N 401.308 4.146 0 1 HIAF COc1ccc([C@H]2c3ccc4ccccc4c3O[C@H]3NC(=S)NC(=S)[C@H]23)cc1 64393134 XXEYLJLVKQNJRK-NLWGTHIKSA-N 406.532 4.120 0 1 HIAF O=C(NCC1CCCCC1)[C@@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085257 PBYYJXGKCCGYDP-IBGZPJMESA-N 412.559 4.188 0 1 HIAF COCCCNc1ncc(C(=O)NCC2CC2)c(-c2ccc(-c3ccccc3)cc2)n1 82159224 VLABANDOCFDQBE-UHFFFAOYSA-N 416.525 4.399 0 1 HIAF Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)cc4)c3)c12 84727127 GUQUEFLOUDFDFG-UHFFFAOYSA-N 419.416 4.123 0 1 HIAF Cc1nc(N[C@H](C)c2cccc(OCC(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 142531852 GHPHPQZKEGAMKY-CYBMUJFWSA-N 419.510 4.099 0 1 HIAF CC(C)(C)c1ccc(CNC(=O)/C=C\c2ccc(CNC3CCNCC3)cc2)cc1 206899033 SYRGUJBWNYHJDM-RAXLEYEMSA-N 405.586 4.155 0 1 HIAF C[C@@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc23)C1 257372291 VRPPNBZAEUMDSY-AVIJNYRZSA-N 401.510 4.337 0 1 HIAF O=S(=O)(N[C@H]1CCC2(OC1)c1ccccc1CCc1ccccc12)c1ccccc1 473135573 JRACUDIHSSXIGH-NRFANRHFSA-N 419.546 4.186 0 1 HIAF COC(=O)c1cc(Br)c2nc(-c3oc4c(c3C)[C@H](O)CCC4)[nH]c2c1 586905595 VEAKRESNFQKZNR-GFCCVEGCSA-N 405.248 4.050 0 1 HIAF Brc1cnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 586999215 WBHCCEZTOYNHKJ-UPHRSURJSA-N 423.064 4.382 0 1 HIAF O=c1c(-c2nc3c(Cl)nccc3[nH]2)cc(Br)cn1Cc1ccccc1 587006056 BAJOKVGHFNMNPY-UHFFFAOYSA-N 415.678 4.251 0 1 HIAF N[C@H](N=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587027474 RAQSICXWBWTZBV-ZATISSGFSA-N 423.542 4.423 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2c1 587048549 JXTDWWGLGDPFKR-UHFFFAOYSA-N 405.907 4.271 0 1 HIAF CCc1cc(OCc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)ccc1Cl 587053032 ZIIZCVKMALRKPI-UHFFFAOYSA-N 421.950 4.388 0 1 HIAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587249369 JSIWJLHYJGQCQS-UHFFFAOYSA-N 414.181 4.215 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(O[C@@H](C)C(=O)O)c(Cl)c1)O2 587374942 KNSHHNJNTWXNII-FVMDXXJSSA-N 410.253 4.442 0 1 HIAF CCOC(=O)[C@@H](OC(=O)c1ccccc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525074 PNCZXTLRWAMVPE-RCZVLFRGSA-N 422.477 4.078 0 1 HIAF O=C(O)C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587605114 XKYSCFPGSZDWLC-QIAKTKIMSA-N 402.402 4.211 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614017 BFNBRVOSJORHHC-REWPJTCUSA-N 408.406 4.188 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)Cl)c(C(=O)c3ccc(F)cc3)c2c1 587649542 PRGQXDSOAQSAFF-UHFFFAOYSA-N 401.793 4.230 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)nc2F)N1 587737842 HRUQESOYNNGPQE-VOJFVSQTSA-N 408.290 4.346 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCN(C)C)(c2ccc(O)cc2)N1 587741409 MWMLDZSUDNLDCI-ZUOKHONESA-N 407.327 4.023 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cnc(N)nc2)N1 587748095 ULJAASUMRQAWJC-WYRIXSBYSA-N 413.294 4.251 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(Cc3ccccc3)C[C@H]2C)N1 587763169 XHMNOIKUENSVBI-PZPWOCDFSA-N 403.339 4.470 0 1 HIAF COCCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587789933 DGSOFOHIAMYXBJ-ZUOKHONESA-N 408.311 4.411 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=S)N(C)C)cc2)N1 587847790 YHTOKTPAGRGFNX-VOJFVSQTSA-N 423.351 4.437 0 1 HIAF CCOC(=O)C[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587849392 UBJHCAFMGFWWMO-ZMZPIMSZSA-N 412.324 4.381 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(CC)cc3)[nH]c2c1 587956415 AQPLHDAZAZQJOR-UHFFFAOYSA-N 413.543 4.019 0 1 HIAF CCOC(=O)c1ncn2c1c(C)c(C(=O)N(C)Cc1ccccc1)c1ccccc12 653833383 ITIFLFKKYDENJZ-UHFFFAOYSA-N 401.466 4.245 0 1 HIAF N=C(N)N1CCC[C@H]1c1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)no1 653884775 UEWKJKGSIKVZNB-NRFANRHFSA-N 413.481 4.499 0 1 HIAF Cc1cc([C@@]2(c3ccc(F)c(F)c3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccn1 963028326 PCOVOVWVFUKRIA-IZHWHUGBSA-N 405.448 4.013 0 1 HIAF C[C@@H]1C[C@H](N)[C@]2(N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccccc21 963186492 UEJLIHWIVPADCE-NJPXSDJTSA-N 424.850 4.036 0 1 HIAF CCCCC[C@@H](C[C@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21)NC(=O)OC(C)(C)C 963492074 PWWGPSNHAVYOPX-KSZLIROESA-N 420.550 4.204 0 1 HIAF COc1cc(C2=N[C@H](COc3ccc(F)cc3C)CON2)ccc1-c1ccnc(C)c1 1772596763 KVUDROOMRIAVJM-HXUWFJFHSA-N 421.472 4.242 0 1 HIAF COC(=O)C=C(CC[C@@H]1[C@H](C(=O)OC)C=C[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O 2356494094 RMNXDJMOHAWPAV-FIXDAVPBSA-N 420.546 4.237 0 1 HIAF COc1cccc(Nc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C4CC4)c3n2)c1 4238465 DDPRPTZODSTNNV-UHFFFAOYSA-N 421.407 4.219 0 1 HIAF COc1ccc(C[C@@]2(CCC(=O)N3CCC[C@@H]3c3ccc(F)cc3)CCC(=O)N2)cc1 12453774 RQFAPOSFUJNKIG-RDGATRHJSA-N 424.516 4.170 0 1 HIAF Fc1ccc(N2CCN(C[C@@H]3CN(Cc4ccccc4)c4ccccc4O3)CC2)cc1 13780736 GURFIWZWMOTTEH-XMMPIXPASA-N 417.528 4.416 0 1 HIAF Cc1oc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1-c1ccccc1 26580071 KUBAVMBHLOAZNM-SFHVURJKSA-N 408.479 4.166 0 1 HIAF O=c1c2cc(F)c(-c3cncc([C@H]4CCCN4)c3)cc2n(C2CC2)c2snc(O)c12 28569585 PKNYPDGLXFTOPX-QGZVFWFLSA-N 422.485 4.277 0 1 HIAF COc1cc(CCNC[C@H](O)COc2ccccc2/C=C/c2cc(C)no2)ccc1C 29230918 UXVLOXWTLVNZSJ-NEQMZLFVSA-N 422.525 4.042 0 1 HIAF N[C@@H](Cc1ccc(-c2cnc(NCc3ccc(-c4ccccc4)cc3)cn2)cc1)C(=O)O 40394402 WUMXAZAXWUQRPI-QHCPKHFHSA-N 424.504 4.377 0 1 HIAF Cc1ccccc1[C@H](c1cccc(C)c1C)[S@](=O)CCN1CCC[C@H](C(=O)O)C1 42965886 SJOHLQSDIATXGF-MMOLPGFLSA-N 413.583 4.247 0 1 HIAF Nc1cnccc1CNc1ccsc1C(=O)Nc1ccc(OC(F)(F)F)cc1 73160400 FDIOCJCKNQOZBV-UHFFFAOYSA-N 408.405 4.488 0 1 HIAF COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)cc1 95574463 SMSWJWMOZMPDKT-VWLOTQADSA-N 410.452 4.302 0 1 HIAF CCOP(=O)(CCCCn1cc(Cn2cnc3cc(C)c(C)cc32)nn1)OCC 98052882 KJSOSTCTCJNAKV-UHFFFAOYSA-N 419.466 4.339 0 1 HIAF CCNc1nc(-c2ccc(C3CCN(C(C)C)CC3)c(F)c2)cc2ncn(C)c(=O)c12 115624108 MXYGSRPBKIJXQW-UHFFFAOYSA-N 423.536 4.154 0 1 HIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@H]2C1 118916802 WJOGTCZNZPHODB-JHGMDELFSA-N 416.558 4.175 0 1 HIAF COC1CCN(C(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 147582365 ADFKONHTCRBTKC-UHFFFAOYSA-N 404.470 4.264 0 1 HIAF Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(N[C@@H]4CCCNC4)n3)c2c1 150133365 KBIGMPDPPRLJPK-CQSZACIVSA-N 406.440 4.129 0 1 HIAF COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=S)N(C)C)cc4c3)n2)c1 169703395 UDPUHMVMCDUMHP-UHFFFAOYSA-N 404.499 4.009 0 1 HIAF C[C@H]1Cc2c(ncnc2-c2ccn[nH]2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl 219510612 RJHQOFYJQSLLNO-JTQLQIEISA-N 421.810 4.126 0 1 HIAF CCc1ccc2c(c1)CCC[C@@]21CNC[C@H]1C(=O)N1CCC(c2ccccc2)CC1 220902377 MNOYYFZDYQGGQG-AHKZPQOWSA-N 402.582 4.449 0 1 HIAF C[C@H](Sc1ncccn1)c1nc2c(Br)cnc(Br)c2[nH]1 586961365 HTQWPOBEJYPWGS-LURJTMIESA-N 415.114 4.126 0 1 HIAF FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(Br)ccc4[nH]3)no2)n1 587119445 XTSZJCHPVZRAQT-UHFFFAOYSA-N 412.169 4.244 0 1 HIAF C[C@]1(c2cc3c(cc2N)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330420 BMVDVTHVUWYJFW-LADGPHEKSA-N 421.424 4.159 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)(c1cc(Br)ccc1N)O2 587378166 SEZSQLOTOMNYFV-NRFANRHFSA-N 424.298 4.226 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C[C@H](NC(=O)OC(C)(C)C)c4ccccc41)[C@@H](C2)C3=O 587431544 GXLZZJLDQPHZMV-XFAGBWLFSA-N 407.466 4.308 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)CCC(=O)O)c1)CC2=O 587470436 NFMYHXDJZPAZEF-HSZRJFAPSA-N 411.454 4.029 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)CCC(=O)O)(c1cccs1)CC2=O 587492931 DFTLSSKBIGQDIC-JOCHJYFZSA-N 416.495 4.481 0 1 HIAF CCOC(=O)[C@@]1(c2c(O)[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587521198 AVJNTCRCKYUFQL-DEOSSOPVSA-N 405.450 4.176 0 1 HIAF CCOC(=O)c1sc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1C 587661342 OEXDGNMKOXDRCC-UHFFFAOYSA-N 409.442 4.133 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3cccc(F)n3)c(=O)c3ccccc23)c(O)c1 587666181 BGHZJWHGWAAACB-UHFFFAOYSA-N 404.445 4.139 0 1 HIAF CCOc1ccc(-c2nn(-c3ncc(Cl)cn3)c(=O)c3ccccc23)cc1OCC 587668134 BAZMVEWSWBEDPW-UHFFFAOYSA-N 422.872 4.294 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ncon3)cc2)N1 587799463 ZMMJUENCOTTWSO-JEOXALJRSA-N 418.266 4.174 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(N[C@@H](C)Cc4ccc(F)c(Br)c41)[C@H](C3)C2 587807075 KWJWTOPHENWFAV-LDELJBEWSA-N 422.338 4.317 0 1 HIAF COC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587811247 WCAYUDNNWBGTFV-MTJIALIYSA-N 406.295 4.175 0 1 HIAF Cc1ccccc1[C@]1(c2ccc(CN3CCC3)cc2)NCCc2nc3ccccn3c21 962982736 JUGBXECYDGQXIT-MHZLTWQESA-N 408.549 4.286 0 1 HIAF Cc1ccnc2c1CCN[C@]21CN(C(=O)OC(C)(C)C)CC[C@H]1c1cccc(F)c1 963071322 QRHIBOUYYBYPEJ-RDPSFJRHSA-N 411.521 4.295 0 1 HIAF COc1ccc(-c2c(CN)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1 1857578222 UEXKYMGODYBISY-UHFFFAOYSA-N 422.488 4.491 0 1 HIAF CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccccc4)c12)[C@@H](CC(=O)O)CCC3 1857757215 LHKBMZGKMLZMTB-OAHLLOKOSA-N 415.486 4.127 0 1 HIAF CC1=C[C@H](CNCc2ccncc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356339020 GDWVHMPNQJUWLQ-PWRODBHTSA-N 420.561 4.052 0 1 HIAF CCN1CCC[C@@H]1CNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 5025890 PCJHPJKWAQUXIC-OAHLLOKOSA-N 402.951 4.169 0 3 HIAF aggregator Cc1ccc2c(C)c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)oc2c1C 20780842 PMCHOCOODJSDKZ-UHFFFAOYSA-N 406.482 4.045 0 3 HIAF CC(C)c1ccc(NC(=O)[C@@]2(C)Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 61907687 FNUWZSVUTLSAHB-RUZDIDTESA-N 415.493 4.303 0 3 HIAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl)N1CCOCC1 768775 LSKXHDZPNRLKQQ-HKUYNNGSSA-N 423.271 4.083 0 1 HIAF C[C@@]1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CON=C1c1cccc(Cl)c1 772439 ITYYLMHGZZYSEB-GOSISDBHSA-N 412.795 4.296 0 1 HIAF COc1ccc(-c2noc(-c3ccc(OC)cc3OC)c2C(=O)NCC(C)C)cc1 776919 NMVKKHAPPBWALQ-UHFFFAOYSA-N 410.470 4.420 0 1 HIAF Cc1ccc(CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H]3c4ccccc4C(=O)N23)cc1 15969502 DLADHVMWVOBBKO-ILBGXUMGSA-N 421.500 4.263 0 1 HIAF biogenic CCCCC[C@H](O)/C=C/[C@H]1[C@H](SCCO)CC(=O)[C@@H]1CCCCCCC(=O)O 27999842 OZGLGSVEPKBOGG-RCDOCOITSA-N 414.608 4.208 0 1 HIAF CCc1cccc(N2C(=O)CN(C3CCN(CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)C2=O)c1 28957096 STHJLURQUYMXBR-REWPJTCUSA-N 421.585 4.474 0 1 HIAF CC(C)=CCc1cc(-c2coc3cc4c(c(O)c3c2=O)C[C@H](O)C(C)(C)O4)ccc1O 59728676 CDLIAMHAUSAXIS-NRFANRHFSA-N 422.477 4.454 0 1 HIAF biogenic Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)NCCc2cccc(F)c2)c1 82146395 YGRYZSWVYCTZIE-UHFFFAOYSA-N 404.489 4.164 0 1 HIAF c1ccc(CCCNc2ncnc3c2nc(-c2cccnc2)n3C[C@H]2CCCO2)cc1 82179877 QYTKTZPTCLAULT-HXUWFJFHSA-N 414.513 4.112 0 1 HIAF CCOc1ccc2cc(-c3nn(C4CCN(CC)CC4)c4ncnc(N)c34)ccc2c1 84688063 RTOKDKNMTOKXEZ-UHFFFAOYSA-N 416.529 4.284 0 1 HIAF O=C(Nc1ccc(Br)cn1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 95571706 MEJNYSXBLHEZDC-AWEZNQCLSA-N 401.264 4.169 0 1 HIAF CC(C)OC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 96286030 FNTWGXGOCVTLKR-KRWDZBQOSA-N 407.513 4.325 0 1 HIAF COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 103294988 JBWUQPZVHSZQCI-KRWDZBQOSA-N 422.337 4.434 0 1 HIAF CCO[C@@H](Cc1ccc(OC(=O)Cc2nc(-c3ccccc3)oc2C)c(C)c1)C(=O)O 114957349 GKMACXXUYRLPAO-NRFANRHFSA-N 423.465 4.139 0 1 HIAF CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)[nH]2)cc1F 146731723 MIYLNJRAUWQKMY-UHFFFAOYSA-N 400.479 4.357 0 1 HIAF CCn1c(O)c2n(c1=O)[C@@H](c1ccccc1Br)c1[nH]c3ccccc3c1C2 169723345 XCXHXZCOSZNIMG-IBGZPJMESA-N 424.298 4.161 0 1 HIAF Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2cc(N)ncn2)CC1 219095380 BKKVTBLCSODBLG-UHFFFAOYSA-N 420.414 4.001 0 1 HIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@H]3C=C12 504564938 DJDMTKVUPCOQPO-BCGVJQADSA-N 410.533 4.182 0 1 HIAF biogenic CS(=O)(=O)Nc1ccccc1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586950329 UQIODSDDUHEDIO-UHFFFAOYSA-N 419.812 4.077 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028526 VIPDMPIGDOAONQ-UHFFFAOYSA-N 412.540 4.384 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131343 GCGXXRSXGQQAFK-UHFFFAOYSA-N 419.497 4.475 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1cccnc1)[C@@H](C2)C3=O 587433171 VQISNAWLIHOXPV-DFBJGRDBSA-N 409.445 4.432 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCN4CCCC[C@@H]4C)cc1)[C@@H](C2)C3=O 587439839 WUANSFAENRAQBF-YVPSIOQSSA-N 407.510 4.437 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)cc(Br)cc21 587457560 KKBYFQLMPMBQTE-HXUWFJFHSA-N 416.271 4.228 0 1 HIAF C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587512925 GPMVXWMXJWWXHX-BKMJKUGQSA-N 417.505 4.427 0 1 HIAF CCc1nn(CC)c2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583390 VVWJMAYQXQUDCD-XUZZJYLKSA-N 404.466 4.364 0 1 HIAF CCc1ccc2c(c1)[C@]1(CC(=O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607447 HEYVJXWZAGTWPH-QPPBQGQZSA-N 402.402 4.121 0 1 HIAF Cn1c(=O)sc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587616104 BEZVZZHGPCEPQU-WIYYLYMNSA-N 405.431 4.009 0 1 HIAF C[C@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616174 IZLFPVWBJDCKLB-NYQDVAGCSA-N 404.418 4.047 0 1 HIAF COC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(F)c(F)c1 587623040 XJFJDMSZDNBFQJ-UHFFFAOYSA-N 420.213 4.467 0 1 HIAF O=C(Nc1ccc2c(c1)OCO2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660050 MSQVBSJPLVEZGA-UHFFFAOYSA-N 403.369 4.012 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2cccnc2)N1 587763547 JXRXQCNFWOKPSG-WLRWDXFRSA-N 401.283 4.007 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(Br)c2c(c1)CCO2 963038964 SPOOVGXKINJKQW-IBGZPJMESA-N 411.299 4.176 0 1 HIAF CCCCN1C(=O)[C@H](C(C)=O)[C@@]2(c3ccccc31)c1c(F)cccc1C[C@H]1CCCN12 963115457 VJNFNAGOQSTLMY-BLFHIAQRSA-N 420.528 4.442 0 1 HIAF CN1Cc2c(C3=C[C@@H]4COC(=O)N4CC3)[nH]c3nccc(c23)-c2cc(F)c(F)cc21 1772592397 FGZHKQSWEGJXQZ-GFCCVEGCSA-N 408.408 4.066 0 1 HIAF NC1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1 1772596320 VLEKBFNVOKXHBZ-UHFFFAOYSA-N 416.403 4.004 0 1 HIAF CCC=CCC=CCC=CCCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)O 2356577458 FEFAAEYMDHYUFL-HXUWFJFHSA-N 406.567 4.411 0 1 HIAF N[C@@H](Cc1ccc(Cl)cc1)c1csc(NC(=O)NCCc2ccccc2)n1 61903905 CSRQNWDWKHKLCO-KRWDZBQOSA-N 400.935 4.403 0 3 HIAF Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)[C@H](C)Oc1ccccc1)CC(=O)N2 2724129 MCQPCKMHMDYOQK-BXKMTCNYSA-N 418.468 4.472 0 1 HIAF CCCC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@@H](C(C)(C)O)O2 13461266 OBYOQQBVJXSKIF-KRWDZBQOSA-N 408.450 4.223 0 1 HIAF endogenous,in-man CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C1CCC1 13559124 GMDSYOIQJYEGEH-KRWDZBQOSA-N 420.554 4.081 0 1 HIAF CCCN(CCCCNC(=O)c1ccc(F)cc1)[C@H]1COc2cccc(OC)c2C1 13737108 DDRVCPLCPBHTHJ-HXUWFJFHSA-N 414.521 4.060 0 1 HIAF COC1(c2cc(OCc3ccc4c(ccc(=O)n4C)c3)cc(F)c2C)CCOCC1 27314197 INSUFLQAMNJRIS-UHFFFAOYSA-N 411.473 4.217 0 1 HIAF COc1cc2ncn(-c3cc(OCc4ccccc4)c(C(=O)O)s3)c2cc1OC 40584604 JALCTFDLDSFBBC-UHFFFAOYSA-N 410.451 4.381 0 1 HIAF CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OCC)cc1 100705557 GJDZXGZPAKNUSC-UHFFFAOYSA-N 423.494 4.285 0 1 HIAF O=C(c1ccccc1)[C@@H](Cc1ccc(N2CC[C@@H](C(=O)O)C2=O)cc1)c1ccccc1 101503368 NPWDCPUYWLSXFG-PKTZIBPZSA-N 413.473 4.333 0 1 HIAF COc1cc([C@@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)cc(OC)c1OC 103273628 YWKTYGMXVAYERH-NRFANRHFSA-N 419.481 4.267 0 1 HIAF CN1[C@H]2CC[C@@H](OC(=O)[C@](O)(c3ccccc3)c3ccc(Cl)c(Cl)c3)[C@H]1CC2 169336879 BUURAUUIILIYRI-ZEFBCVDJSA-N 420.336 4.398 0 1 HIAF Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1 220680298 AUZAPTUBDQMDLQ-UHFFFAOYSA-N 424.451 4.479 0 1 HIAF CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccccc32)CC1 254093057 LWSPHJKMWOBFHJ-UAPYVXQJSA-N 422.504 4.684 0 1 HIAF COC(=O)c1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984537 GOKBKCBBHUTPSP-SFHVURJKSA-N 414.303 4.297 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085433 SIDHYZUZBUCWOL-UHFFFAOYSA-N 414.918 4.462 0 1 HIAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccnc(O)c4[nH]3)nc2n1 587115529 ZAQYUPPKAJMHMD-UHFFFAOYSA-N 408.409 4.129 0 1 HIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2n1 587144973 PHEYMKYDKNNREX-UHFFFAOYSA-N 405.385 4.224 0 1 HIAF C[C@]1(c2nc3c(Cl)c(Br)cnc3[nH]2)C=C(c2ccccc2F)NO1 587158573 XRQSHGODYWTCAR-MRXNPFEDSA-N 409.646 4.304 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)N3CCCc4cccc2c43)[C@@H]1c1ccc(F)cc1 587349260 UDQKAXRKTLSFJR-BWKNWUBXSA-N 415.420 4.079 0 1 HIAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCCN1CCCCC1 587400081 PDCZEHQYNUGKCL-QFIPXVFZSA-N 410.514 4.157 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(Cl)cc4Cl)nn1)[C@@H](C2)C3=O 587421113 SOSVBGDVCHXMON-HXPMCKFVSA-N 402.237 4.071 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554070 GULCTDWGRNJFNK-LPHOPBHVSA-N 404.344 4.330 0 1 HIAF C[C@@]1(c2cn(CCN)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580376 XLZDJLGZUBCCJI-DHLKQENFSA-N 414.461 4.183 0 1 HIAF C[C@]1(c2ccc(O)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588297 SHASSYDXIZUDBK-GBXCKJPGSA-N 415.401 4.229 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CCNCC1 587590749 ALHLRIHGKBMTOZ-RCZVLFRGSA-N 401.462 4.249 0 1 HIAF CCOC(=O)C(Cl)(Cl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587687705 ZUVZDXLGKFOOFF-CLAHSXSESA-N 413.114 4.075 0 1 HIAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C 587739382 GSUOSQCJPHEGEM-YUNKPMOVSA-N 407.327 4.282 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3=O)cc2)N1 587770016 ZXGAUWORIVRWFI-YUNKPMOVSA-N 403.295 4.339 0 1 HIAF CC1=C(OC(=O)C(C)C)[C@]2(C=CO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587831333 IBGKERQAHHLLFS-NSPYISDASA-N 410.283 4.292 0 1 HIAF CSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)n1 587844672 LVPYKFRAZXFQHD-WPPNPWJKSA-N 402.720 4.377 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Br)n2)N1 587853090 OUXLFDSSHZPISL-SREIQFSDSA-N 406.118 4.431 0 1 HIAF CC[C@@]1(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)CC(=O)c2ccccc2C1 587959068 CBIDNYDXGLXUBS-VWLOTQADSA-N 403.526 4.163 0 1 HIAF O=C1CC2(CCOCC2)C[C@@]2(C1)NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962960676 TZOJYABQODKOPY-JOCHJYFZSA-N 423.475 4.102 0 1 HIAF CC(C)(C)OC(=O)NCC1CN(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)C1 1772626073 MXRZYVPNCHNBEG-UHFFFAOYSA-N 422.529 4.195 0 1 HIAF COc1ccc(C2=NOC3=c4ccccc4=CSC3=C2c2ccc(OC)cc2)cc1 6484235 NGVWCRVWFAHSHC-UHFFFAOYSA-N 413.498 4.143 0 1 HIAF COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(=O)C(F)(F)F)cc1 7992253 XLTQABBTJPHYKC-ZRDIBKRKSA-N 409.404 4.317 0 1 HIAF Cc1nc(CC(=O)NC[C@H]2Cc3cc(F)cc(-c4ccc(F)c(C)c4)c3O2)cs1 12048759 UTKQLHFPBKSEEE-GOSISDBHSA-N 414.477 4.368 0 1 HIAF COc1c(OCc2ccc(F)cc2)ccnc1C[S@@](=O)c1nc2cscc2[nH]1 13448809 XSQFMWWRRXIOGG-NDEPHWFRSA-N 417.487 4.054 0 1 HIAF COc1cccc(CN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CCCC[C@H]3C2=O)c1 13474101 RLKUDKVBRRKFID-VQTJNVASSA-N 408.498 4.265 0 1 HIAF COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)O)cc2)cc1 13557969 RUOOMOWEOFYXKO-UHFFFAOYSA-N 404.466 4.427 0 1 HIAF COc1cc(Nc2nccc(N(C)c3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC 19870407 FLXGQDHYCWXTAI-UHFFFAOYSA-N 420.473 4.199 0 1 HIAF in-vivo CCCNC[C@H](O)COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 27104543 DATGFPGTPIHOMT-HNNXBMFYSA-N 421.415 4.218 0 1 HIAF Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1 28959546 ZOPZOQTZDFMBGG-HSZRJFAPSA-N 424.541 4.354 0 1 HIAF O=C1CC2(CCN(C(=O)NC3CCc4ccccc4CC3)CC2)Oc2ccccc21 42887712 FZSIIVFTLMHKAP-UHFFFAOYSA-N 404.510 4.144 0 1 HIAF COc1cccc(Oc2c(C(=O)N3CCCC[C@H]3c3cccnc3)c(C)nn2C)c1 95592696 RQKKCIFUDOPIAK-FQEVSTJZSA-N 406.486 4.292 0 1 HIAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(Cl)ccnc4[nH]3)CC2)cc1 586954434 CEGAMJNQXLGWKZ-UHFFFAOYSA-N 418.950 4.303 0 1 HIAF O=C(O)Cc1c(CC(=O)c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990457 KFVIGUGKJXSPKM-UHFFFAOYSA-N 423.424 4.204 0 1 HIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cs1 587014812 ZNHVVLJNAXLGEJ-UHFFFAOYSA-N 414.466 4.036 0 1 HIAF Cc1nc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2cc1Br 587080173 NGVGKXVREPAXOH-ZDUSSCGKSA-N 404.699 4.406 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2ccc(F)cc2[nH]1)c1cc(F)ccc1F 587140608 ONISQZYGLVOVFC-UHFFFAOYSA-N 403.385 4.448 0 1 HIAF Cc1ccc(F)cc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330513 FTLPRZHKDFPQBJ-OFNKIYASSA-N 410.372 4.318 0 1 HIAF O=C(O)[C@@H]1C[C@H]2C=CC[C@@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359466 YQZLKTKHWYCFGC-NILOTPROSA-N 408.425 4.316 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(-c3ccccc3)cc1)(C(O)O)CC2=O 587487500 FXUWESAXEFYVNV-VWLOTQADSA-N 404.462 4.183 0 1 HIAF CCC(C)(C)c1ccc(OCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 587565555 MCUDIURRLCQRIS-UHFFFAOYSA-N 401.532 4.080 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3Br)c(-n3ccnc3)c2c1 587649375 TUKLQIJFCVYIFJ-UHFFFAOYSA-N 416.300 4.187 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)ccc(F)c2C(=O)O)N1 587716018 DALXEFXKKFJBGD-DCXZOGHSSA-N 414.221 4.362 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)nn2C)N1 587721822 QDPVWXKUGOUDEO-GLEZIHRCSA-N 406.221 4.138 0 1 HIAF C[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2N1 587874078 PKYFXPJQQLXVHD-RMLUDKJBSA-N 407.327 3.987 0 1 HIAF COc1ccc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c(OCc2ccccc2)c1 962920005 AFXAJMGJHAPKGI-RUZDIDTESA-N 416.521 4.211 0 1 HIAF CC(C)c1nn(C)c2c1[C@H](c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC3)NCC2 962921322 SRVRIMHBTATZLK-QFIPXVFZSA-N 410.562 4.072 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]31c2ccccc2-c2ccc(C(=O)O)cc21 963059506 RIIOZFAXUFUNGU-SANMLTNESA-N 408.457 4.360 0 1 HIAF Cc1ccnc2c1CCN[C@@H]2c1c(Cl)[nH]c2cccc(I)c12 963067340 JKBYPKQBMXIHOP-MRXNPFEDSA-N 423.685 4.364 0 1 HIAF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc(Cl)n1 963199036 VPVDJZFCVVAPIF-ABAIWWIYSA-N 405.203 4.404 0 1 HIAF O=c1c2ccccc2nc(SCc2cn(-c3ccccc3)nn2)n1-c1ccccc1 1857650117 LUEBUYOZFXVUAI-UHFFFAOYSA-N 411.490 4.259 0 1 HIAF CCOC(=O)C1=CC(=CCC(C)C)c2c(cc3c(c2OC)C[C@H](C(C)(C)O)O3)O1 2356372181 ZOXLSKQYLCIPKF-LJQANCHMSA-N 402.487 4.039 0 1 HIAF CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC1(N(C)C)CCCCC1 6862407 SBAPHFDFFMGJRF-NRFANRHFSA-N 415.622 4.119 0 3 HIAF O=C1N[C@@H](Cc2ccccc2)c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc21 36389181 FPPIWJHLZKQHOG-IBGZPJMESA-N 401.853 4.066 0 3 HIAF CCCCNC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 206044004 QUWBTZUDJLSHLS-HXKBJWFLSA-N 411.590 4.268 0 3 HIAF CN(C)CCn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21 3815233 LBVQCWSCVVKPQR-UHFFFAOYSA-N 411.307 4.047 0 1 HIAF CC[C@H](C)C(=O)O[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 8773253 PCZOHLXUXFIOCF-DBOHBQOTSA-N 404.547 4.196 0 1 HIAF C[C@H](C1CC1)n1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O 13487679 VYZKNVAXMQPLHY-CQSZACIVSA-N 412.486 4.091 0 1 HIAF c1nc2c(NC3CCCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 13648445 IWDCLHPAOHUVIN-UHFFFAOYSA-N 407.522 4.068 0 1 HIAF COC(=O)[C@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 36271718 FNAOGECRNHWQIQ-XSDIEEQYSA-N 401.453 4.095 0 1 HIAF Cc1nc(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)n[nH]c1=O 40893958 PFGUZIKSOVGFDL-UHFFFAOYSA-N 406.667 4.272 0 1 HIAF CC(=O)N1C[C@H]2C[C@@H]1CN2Cc1cc2ccc(Oc3nc4ncccc4s3)cc2o1 95594508 WWPUOYBBJXOXCR-HZPDHXFCSA-N 420.494 4.035 0 1 HIAF OC[C@H]1[C@H](c2ccccc2)C2(CN(Cc3ccccc3F)C2)N1Cc1ccccc1F 95871785 JPUOYDWMQHLZGG-DQEYMECFSA-N 420.503 4.180 0 1 HIAF CN1Cc2ccc(NC(=O)N[C@H]3CC4(CCC4)Oc4ccc(F)cc43)cc2NC1=O 144327307 ZECXWPZWZQOUCA-SFHVURJKSA-N 410.449 4.371 0 1 HIAF COc1ccc2[nH]c(CN3Cc4ccccc4C3)c(CCNC(=O)C3CCC3)c2c1 169323504 OJNJRXMLVJNHGA-UHFFFAOYSA-N 403.526 4.151 0 1 HIAF Cn1cnc2ccc(-c3cccc(NC[C@H](O)CN4CCc5ccccc5C4)c3)cc21 218390632 MJDIURPBHVJDBM-DEOSSOPVSA-N 412.537 4.071 0 1 HIAF Cc1ccsc1C(=CCCn1cc(CNCCC(=O)O)nn1)c1sccc1C 299859909 GDHWSLJMUUUXKK-UHFFFAOYSA-N 416.572 4.104 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587027383 CWRIAZLKACOOOZ-UHFFFAOYSA-N 412.540 4.432 0 1 HIAF Cc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1F 587171011 WASVMTDXRVQXCI-FQEVSTJZSA-N 413.449 4.217 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc(C(=O)O)cc4N)[nH]c3c2)cc1 587250449 UMSVZKKNPVUYDU-UHFFFAOYSA-N 417.421 4.013 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)C4CCCC4)cc1)[C@@H](C2)C3=O 587447907 GFNKWFKKHPWHEF-CVDCTZTESA-N 412.507 4.074 0 1 HIAF CCn1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587538469 AVOAGKHCYSXMEP-HNAYVOBHSA-N 415.243 4.074 0 1 HIAF Cn1cc([C@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587570141 KIQXFJRNTAEHEY-URXFXBBRSA-N 416.408 4.170 0 1 HIAF COc1ccc(-n2cccn2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587583987 XTYPYAUKEWQHFQ-URXFXBBRSA-N 414.417 4.289 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccc(Cl)nn23)N1 587706922 SOXKQHVGTRHEHW-XLFHBGCDSA-N 409.690 4.082 0 1 HIAF CCOC(=O)[C@H](C)n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587754809 MVALNMSLBRJMPF-SOZUMNATSA-N 409.299 4.137 0 1 HIAF Cc1nn(-c2ccccc2)c(N)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587758618 QZTYIJASIBOJKD-JEOXALJRSA-N 415.310 4.288 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3cnn(C)c3)cs2)N1 587852601 HOJSDMFAWVWAKN-XXFAHNHDSA-N 407.312 4.069 0 1 HIAF COc1cc2c(cc1OC)[C@@](C)(c1c(C)[nH]c(C(=O)O)c1C(C)C)N(C)[C@H](C)C2 962641972 YCALJLNJIZOJQR-ZLOXQWCVSA-N 400.519 4.302 0 1 HIAF COc1ccccc1C1=C[C@@]2(NCCc3c2c(C(C)C)nn3C)c2ccc(O)cc2O1 962917323 MGRCJQUCXORFFH-RUZDIDTESA-N 417.509 4.081 0 1 HIAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCSC2)N1C(=O)c1ccccc1 963421092 YMBDLPIPVYOZIE-CVDCTZTESA-N 406.507 4.042 0 1 HIAF NC1CCN(c2nc(Nc3cn(-c4ccccc4)cn3)c3cc(Cl)ccc3n2)CC1 1772627395 LZUXFPHHPPFWHN-UHFFFAOYSA-N 419.920 4.140 0 1 HIAF c1ccc(-c2nn[nH]n2)c(-c2ccc(CSc3nnc(-c4ccncc4)o3)cc2)c1 1857591837 URKFVWIXVRJEOD-UHFFFAOYSA-N 413.466 4.271 0 1 HIAF Cc1ccc(N2C(=O)CS[C@H]2c2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857613312 IUZRUBNUYDSUAT-CMJOXMDJSA-N 407.539 4.107 0 1 HIAF CCOc1cc(Cl)c(C(=O)Nc2nc3ccccc3s2)cc1N1CCOCC1 1911580385 GZPHANAWJQENLY-UHFFFAOYSA-N 417.918 4.437 0 1 HIAF Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 8632076 GZAMBDYBPGLODG-FQEVSTJZSA-N 411.546 4.168 0 3 HIAF O=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 13864323 SKVXOYIMICHFPV-UHFFFAOYSA-N 413.521 4.407 0 1 HIAF OCCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3cc(C(F)(F)F)ccc32)CC1 26659625 SBIYOKBEEKCRRW-TZIWHRDSSA-N 408.439 4.031 0 1 HIAF CCC(=O)[C@@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 27982406 RDOXVARXZHCHTF-SAUZDDAKSA-N 417.718 4.490 0 1 HIAF O=C(Nc1[nH]nc(C(=O)Nc2ccccc2)c1Br)c1ccccc1Cl 28711942 IUFFQTTYQLZJMY-UHFFFAOYSA-N 419.666 4.330 0 1 HIAF O=C(NCCC1=CCCCC1)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081242 LMYAZDVQIBLGCD-QGZVFWFLSA-N 413.543 4.262 0 1 HIAF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C 82132385 ATUUYIKSNKUICH-LMQGHGSNSA-N 420.557 4.099 0 1 HIAF Oc1cccc(-c2nc3c(NCc4cccc(F)c4)ncnc3n2C[C@@H]2CCCO2)c1 82181464 IGTYXMYHWXMUPR-IBGZPJMESA-N 419.460 4.129 0 1 HIAF Cc1occc1C(=O)Nc1cccc([C@H](C)Nc2ncnc3c(C(N)=O)cccc23)c1 114348224 WVHAMWAJDWCCNB-ZDUSSCGKSA-N 415.453 4.056 0 1 HIAF CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nnc(N5CC[C@@H](N)C5)s4)cc23)n1 145431803 NLOZLPYLNHZXJD-OAHLLOKOSA-N 420.542 4.073 0 1 HIAF N#Cc1ccc2c(C[C@H](O)CO)cn(-c3ccc(Oc4ccc(F)cc4)cc3)c2c1 146829038 SUAQQAOEEFJZTL-FQEVSTJZSA-N 402.425 4.329 0 1 HIAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCN3CCOCC3)C[C@@H]12 169358396 OQOGMEFNRHFVDB-FCEWJHQRSA-N 421.507 4.117 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@H](C)N2C[C@H](c3ccccc3)C[C@H]2C1 169369112 PKZKDNACFVSZIJ-RANZSIQMSA-N 413.949 4.070 0 1 HIAF COC(=O)/C1=C\CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2C[C@H](OC(C)=O)/C(C)=C/CC1 169369452 JQCWXJKSJTVECI-OMCIRLKPSA-N 402.487 4.116 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](c3cccnc3)CO2)cc1 474609748 ULQVOSFGFYDDOI-HXUWFJFHSA-N 404.495 4.277 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@@H]2CCCC[C@H]21 586957439 AMVXVENTRRREHJ-DLPLYFIVSA-N 421.526 4.134 0 1 HIAF CCn1cc(Br)c(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)n1 587000872 MIAZBSLWXKWUHC-UHFFFAOYSA-N 424.171 4.182 0 1 HIAF CN1C(=O)[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21 587107948 XCOQPXDUSAHFMX-QHCPKHFHSA-N 404.425 4.389 0 1 HIAF OC1(c2nc3cccc(I)c3[nH]2)CCC(C(F)(F)F)CC1 587125490 GDBPVLUISCRBQR-UHFFFAOYSA-N 410.177 4.108 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cc(Br)cn4)cc1)[C@@H](C2)C3=O 587416539 CMQJVUYCXMMDNZ-JXFKEZNVSA-N 411.255 4.132 0 1 HIAF C[C@]1(CC(=O)Nc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566779 BBRKJXNQYSOTCU-NFBKMPQASA-N 407.397 4.280 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)nc1F 587573259 YPMPEUOOPPNDMY-UGKGYDQZSA-N 406.413 4.229 0 1 HIAF C[C@@]1(c2ncc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614194 ROKMFPRFADRCIF-RDTXWAMCSA-N 418.268 4.488 0 1 HIAF C/C(=C/[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587616749 GMPCDZYHCJSBSF-DJZBIXMRSA-N 408.479 4.171 0 1 HIAF C[C@H](Oc1ccc(F)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658595 PRNMYKLGNGXYEA-AWEZNQCLSA-N 406.388 4.449 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)c(Br)c2)N1 587676508 FBGVVHAEIUQRPE-JKYUHCHBSA-N 416.088 4.075 0 1 HIAF Cc1ccc(CNC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587756917 SHHCRCTYHMTODG-SZNDQCEHSA-N 419.338 4.353 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCc2ccccc2)N1 587758531 XWYBZGHMUHQUSA-RNODOKPDSA-N 405.311 4.044 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(CCN)c3ccccc23)N1 587759416 SZFFULQNGOBNQH-LRTDBIEQSA-N 416.338 4.299 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C2/C(=O)N(C)c3ccccc32)N1 587772831 XFSNTULQFWTFJZ-SKHUFPHQSA-N 415.306 4.398 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccccc3c2=O)N1 587776828 DWMHIOXKJYCCFV-PRWKNARSSA-N 401.279 4.227 0 1 HIAF CCOc1cc(-n2c(OCC)cc(CC(C)=O)c2OCC)c(Cl)cc1C(=O)O 587942305 XLGVRRAKYDWSSJ-UHFFFAOYSA-N 409.866 4.157 0 1 HIAF O=C1NCCN1c1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962645876 SWRDWSRIZUXBEY-AZGAKELHSA-N 424.548 4.053 0 1 HIAF COc1ccc(-c2cnc3[nH]cc(NS(=O)(=O)c4ccccc4)c3c2)cc1OC 1857574940 MKPVAQDLIYMDQI-UHFFFAOYSA-N 409.467 4.048 0 1 HIAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(-c2cccc(F)c2)nn1 1857747109 UQFLFUONMPCNKM-UHFFFAOYSA-N 423.395 4.179 0 1 HIAF CC=Cc1cc(OC)c(O[C@H](C)[C@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356517307 FLBWVIKFCMUTDS-SZNDQCEHSA-N 418.486 4.264 0 1 HIAF CC1=C[C@H](CN2CCN(C)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356751992 FMHRMUWVVAUDBZ-YTFSRNRJSA-N 408.590 4.381 0 1 HIAF C[C@@H]1CC[C@]23C[C@]2(C)CCC[C@@H]3[C@]1(C)CCC1=CC[C@H](C2=CC(=O)O[C@@H]2O)O[C@H]1O 2356834027 KLHOXCHSZPBBBC-CMWBLMLZSA-N 416.558 4.235 0 1 HIAF COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1CCCC[C@H]1O 773445 ZDLZASGTMPIJJF-QZTJIDSGSA-N 410.445 4.190 0 1 HIAF CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)cc1 4208265 QTPNFNSMBKREKY-IFMALSPDSA-N 412.917 4.414 0 1 HIAF CCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)N4CCN(C)CC4)ccc23)cc1 6748835 ZXRLQODKPTXZNW-UHFFFAOYSA-N 420.538 4.002 0 1 HIAF CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1C 12649680 ULSPNLGEDJMEGV-BXBLUCELSA-N 421.921 4.112 0 1 HIAF Clc1ccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c2c1 13674828 FXNATMMZTJGLHL-UHFFFAOYSA-N 411.933 4.347 0 1 HIAF C[C@@H]1C[C@@H](C)CN(c2ccc(Cl)cc2C(=O)NCCc2ccc(C(=O)O)cc2)C1 27561158 VYVITXCBCOLLKT-HZPDHXFCSA-N 414.933 4.493 0 1 HIAF Cc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 28523822 HNCUVZVXDCZORK-ORZNUPDKSA-N 412.533 4.175 0 1 HIAF COc1cccc(Cn2nc(C(F)(F)F)c(Cc3ccc4c(c3)OCO4)c2OC)c1 28766461 HECQXXJXJOLCEG-UHFFFAOYSA-N 420.387 4.287 0 1 HIAF N=C(N)c1ccc2c(ccn2CCCCCCn2ccc3cc(C(=N)N)ccc32)c1 29415435 RTVDAIYCXZSTNM-UHFFFAOYSA-N 400.530 4.425 0 1 HIAF CC[C@@H](COC)n1c(=O)c(C)nc2c(-c3cc(Cl)c(OC)cc3C)ccnc21 34104712 YGBGQEDEFSZVMQ-AWEZNQCLSA-N 401.894 4.335 0 1 HIAF CCCC[C@@H](CC)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(F)c(Cl)c2)C(=O)O1 40405903 XNFOFLKZKHRUHX-WVDUVTCCSA-N 412.885 4.300 0 1 HIAF O=C(c1nc2ccncc2[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1 64540354 MEFPAWFMUIWINY-QHCPKHFHSA-N 424.504 4.431 0 1 HIAF CCc1ccc([C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN(C(=O)N3CCCC3)C2)cc1 68246384 ZWCJKYIKDHSWMF-GGAORHGYSA-N 420.557 4.444 0 1 HIAF Cc1ccc(F)cc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1 72181850 ZOPZOQTZDFMBGG-QHCPKHFHSA-N 424.541 4.354 0 1 HIAF COc1ccccc1OCCN(C)C[C@H](O)COc1cccc2[nH]c3ccccc3c12 96939428 IIYAQEVCUAUADP-SFHVURJKSA-N 420.509 4.080 0 1 HIAF CCCC[C@](C)(O)[C@@H]1C[C@]2(C)C=C[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 96941735 NBXXYUJPXCRTQC-YTJJRPKESA-N 409.570 4.175 0 1 HIAF COc1ccc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)cc1 103268811 HFIRKVPACFMJHQ-UHFFFAOYSA-N 419.391 4.435 0 1 HIAF COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 169695374 JCYYMPXQRKTVFQ-YADHBBJMSA-N 417.461 4.454 0 1 HIAF COc1ccc(C2(SC[C@H](N)C(=O)O)c3ccccc3CCc3ccccc32)cc1 205127264 FFZDQAVDHIXOIW-QHCPKHFHSA-N 419.546 4.231 0 1 HIAF CC(C)c1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CCC[C@H](N)C1 205262069 VGJWLOJQVWBUSL-KRWDZBQOSA-N 413.529 4.133 0 1 HIAF Cc1ccc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4)cn3)c2)cn1 299824963 FEENLVZHRIAWGM-UHFFFAOYSA-N 412.453 4.472 0 1 HIAF O=C(Nc1cc(-c2ccc(Br)cc2)[nH]n1)c1ccc(Br)nc1 299832431 GJPFEDZCWJRLTN-UHFFFAOYSA-N 422.080 4.249 0 1 HIAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587028549 VUHDFKLITOXBEG-UHFFFAOYSA-N 403.261 4.451 0 1 HIAF FC(F)(F)c1ccn(Cc2cc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)no2)n1 587118929 SWPVMSNBYCMLOB-UHFFFAOYSA-N 403.151 4.183 0 1 HIAF C[C@@H](c1nc2ccnc(N)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199547 IAJGLPUCZDMMKB-AWEZNQCLSA-N 413.481 4.482 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 587337933 WGCVWSVUFFGAGX-UGKGYDQZSA-N 414.335 4.149 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)O2 587392771 DBFKEIJPAQKDHO-CTNGQTDRSA-N 408.498 4.273 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cccc(Br)c1)[C@@H](C2)C3=O 587420446 WRYYRIIOCPJQIF-DCTNLQOOSA-N 414.299 4.176 0 1 HIAF CCOC(=O)c1ccc(-c2ncccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587436216 ODGGWGRNIBZJCE-NTKDMRAZSA-N 415.445 4.423 0 1 HIAF C[C@]1(c2cccc(Br)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548820 VSLKGSUELXOILC-YLJYHZDGSA-N 412.239 4.427 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)c(F)c(O)c(F)c2F)N1 587718871 JXZSUHXATHBVKZ-SPHRHWQCSA-N 408.164 4.474 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(CN=O)=COc1ccccc12 587743487 WRKVYCLVUGTUDN-WYRIXSBYSA-N 403.251 4.409 0 1 HIAF COc1ccccc1N1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587765812 DLLWQHYIHRBFFC-RNODOKPDSA-N 405.311 4.237 0 1 HIAF COc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c(OC)c1 587862840 YPKBELUWCUMVFB-UHFFFAOYSA-N 406.360 4.283 0 1 HIAF Cc1cc(C)c([C@]2(CC(C)(C)C(=O)O)c3ccsc3CCN2C(N)=O)c(C)c1 962711974 MXFQSHORXOZYDK-QFIPXVFZSA-N 400.544 4.355 0 1 HIAF COc1c(C)cc([C@@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1C 962713481 UULNZJKYKLJNRC-FXAWDEMLSA-N 411.395 4.332 0 1 HIAF Cc1cn(C(C)(C)C)cc1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963146464 NGYCKCZOYVZEMF-HZPDHXFCSA-N 419.547 4.344 0 1 HIAF CC[C@@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)F)cn4)ccc3n2)CCN1 1772578291 VCUFILKGZGTJBH-MRXNPFEDSA-N 412.440 4.184 0 1 HIAF Cc1ccc([C@]2(CCO)CC(c3ccncc3)=NN2C(=O)Nc2ccc(F)cc2)cc1 1772593343 FABVFBWUQYJEHO-DEOSSOPVSA-N 418.472 4.449 0 1 HIAF CCNC(=O)Nc1ccc(OCCCCOc2ccc(NC(=O)NCC)cc2)cc1 1772613174 ZDLDASOZKLIMLH-UHFFFAOYSA-N 414.506 4.207 0 1 HIAF Cc1ccccc1N=c1[nH]c(Nc2ccc(N3CCCN(C)CC3)cc2)ncc1Cl 1911582381 DDXMAMOZRKENDB-UHFFFAOYSA-N 422.964 4.489 0 1 HIAF Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)NCc2ccccc2)no1 61927235 WQTLPBOAAGRNQE-OAQYLSRUSA-N 421.472 4.420 0 3 HIAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(/C=C\C3=C[C@@H](O)[C@@H](O)[C@@H](O)C3)=CCC[C@@]21C 28814887 XCZILKGEPWAVGP-PBACWTMLSA-N 418.618 4.285 0 1 HIAF CN(C)Cc1ccn2c(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)nc2c1 28963465 IAFVOWKKCMRQKD-UHFFFAOYSA-N 402.477 4.233 0 1 HIAF O=C(NCCNc1ccnc(NCc2ccc(F)cc2)n1)c1cc2ccccc2s1 45167324 HPIYDXWBJUHQIS-UHFFFAOYSA-N 421.501 4.284 0 1 HIAF COc1ccc(CNCCCCCCCCNCc2ccc(OC)c(O)c2)cc1O 73199836 NECSKTHREYMJLH-UHFFFAOYSA-N 416.562 4.335 0 1 HIAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)NCCC2=CCCCC2)C(C)C)co1 82069995 LFSPZWBLTKUWAR-OAQYLSRUSA-N 409.530 4.411 0 1 HIAF Cc1ncccc1Oc1ncnc(OC2C[C@@H]3[C@H]4C[C@@H]4[C@@H](C2)N3C(=O)OC(C)C)c1C 101417696 FWAAPZFDGYIRMI-INDMIFKZSA-N 424.501 4.056 0 1 HIAF COCO[C@@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 169361312 ASVJPCQXPWNHDI-MYGLTJDJSA-N 403.469 4.295 0 1 HIAF CC(C)=CC(=O)O[C@@H]1/C=C\[C@@](C)(C/C=C/C(C)(C)O)C/C=C(/CO)CC[C@@H]2O[C@]21C 169370762 ISSYTMWXBGIZDF-OISGQWTESA-N 418.574 4.404 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 586887031 RVBSZIKFRSPKMT-WOPDTQHZSA-N 403.276 4.141 0 1 HIAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 586949957 JHPIHJPOJIMOEU-UHFFFAOYSA-N 401.435 4.137 0 1 HIAF Cc1c(Br)cnc2[nH]c(CCNc3ccc(Br)cc3)nc12 586996805 ZIHCACAKAZTZNP-UHFFFAOYSA-N 410.113 4.446 0 1 HIAF O=C(O)c1cc(F)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586998609 MBINZKRCDNHEAX-OWOJBTEDSA-N 405.179 4.062 0 1 HIAF CCCn1cnc2cc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)cc(Br)c21 587003368 IXBFVXQPCBROSP-QGZVFWFLSA-N 413.279 4.476 0 1 HIAF Oc1c(Br)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587118558 RKLLWJSXCJIJBJ-UHFFFAOYSA-N 401.186 4.172 0 1 HIAF Cc1nccc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc12 587141137 XXVDEOCBMYCPMF-UHFFFAOYSA-N 400.410 4.012 0 1 HIAF Cc1cnc2[nH]c([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc2c1 587141776 WSFCEVXHKMLROM-INIZCTEOSA-N 410.902 4.125 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccnc(Br)c4[nH]3)c2)c1 587231628 CSJLYVWVVYJPDU-UHFFFAOYSA-N 421.298 4.338 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)c(C(=O)OC)c1)CC2=O 587474017 DXSOTBKSBVGNJR-JOCHJYFZSA-N 409.482 4.438 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 587488555 PQCCREVSKPPGQK-DJKDLEHESA-N 401.503 4.468 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(Cl)s1)CC2=O 587492143 AZIPTXIRFVUECR-FQEVSTJZSA-N 422.886 4.053 0 1 HIAF COC(=O)c1cc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1C 587506515 YUGXZNHOSXRPIQ-QGZVFWFLSA-N 418.287 4.160 0 1 HIAF COc1ccc(/C(=C\N(C)C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587571028 KPLQYFPMPBQQTI-GNMKTDBDSA-N 417.461 4.334 0 1 HIAF CC(C)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587598669 XVTOBNPJOHQRFS-BWKNWUBXSA-N 415.445 4.252 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2Br)N1 587680596 HZZUHTKATVUPET-ANRSDYALSA-N 400.089 4.369 0 1 HIAF CC[C@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757020 UBCAUECBIAKYIV-BBATYDOGSA-N 401.320 4.252 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587789511 DPMOSQJYWDTGPG-HOGDKLEQSA-N 407.283 4.037 0 1 HIAF Cc1[nH]c2ccccc2c1[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804524 RMOFANZFBXYPBS-WVDJIFEKSA-N 417.278 4.240 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3cnn(C)c3)cs2)N1 587853263 LTLXYDGIKZOQTG-XXFAHNHDSA-N 407.312 4.069 0 1 HIAF COc1ccc(C[C@@H](C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1OC 587925672 GJODZTSNKDBKNL-SNVBAGLBSA-N 419.275 4.387 0 1 HIAF C[C@]1(Cc2c[nH]c3ccccc23)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962690498 AWWAKTXJZDIYSU-UYAOXDASSA-N 406.379 4.383 0 1 HIAF Cc1ccccc1[C@]1(c2ccc(Cl)nc2)NCCc2ccc(C(=O)N(C)C)cc21 962925446 MYPQUFIQBQMJCZ-DEOSSOPVSA-N 405.929 4.183 0 1 HIAF CSc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(N4CCNC4=O)cc3)C2)cc1 13596944 USSRVEZWDCSYIZ-LJQANCHMSA-N 409.555 4.033 0 3 HIAF O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2nnc(-n3cccc3)s2)CC1 8583832 HDAYNPWPCQAPSM-UHFFFAOYSA-N 421.448 4.203 0 1 HIAF COc1cccc2c1C(c1ccccc1)=NC[C@@H](CCNC(=O)c1cccs1)N2C 13525956 VJLJZUZTFVRPGO-GOSISDBHSA-N 419.550 4.233 0 1 HIAF CC(C)CN(CC(C)C)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)nc1 36184790 FKRHIHKGEICFHF-UHFFFAOYSA-N 400.363 4.148 0 1 HIAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)OC4)[C@@]3(C)[C@H](O)C[C@@H]12 36401113 IELITCZHWCOSJX-VAWUUXLBSA-N 402.575 4.240 0 1 HIAF in-vitro COc1cccc2c(=O)n(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(C)nc12 45484668 DYCSZHYDBGRGRV-UHFFFAOYSA-N 419.525 4.098 0 1 HIAF Cc1cc(OCCCNC[C@H]2CCCNC2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49045733 RTHHHSZUIAECIW-SFHVURJKSA-N 410.537 4.344 0 1 HIAF FC(F)(F)Oc1ccc(Nc2cc(-c3cnn(Cc4cccnc4)c3)ncn2)cc1 64539827 NEVWISPIZUUKHD-UHFFFAOYSA-N 412.375 4.426 0 1 HIAF CN(C)CC(C)(C)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181097 AMTIURXTJLPYNF-AWEZNQCLSA-N 423.401 4.236 0 1 HIAF CC(=O)OCc1cc(C)cc(O)c1Oc1ccc(CC=C(C)C)c(O)c1C(=O)O 95552017 BSFKPIFPKWVNTR-UHFFFAOYSA-N 400.427 4.469 0 1 HIAF O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95875773 NPXWAHHKOIONJD-ISJGIBHGSA-N 422.544 4.044 0 1 HIAF O=C(Nc1ccccc1)N1CCC([C@@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 203788273 YQNFLDBZFLCLLR-GMAHTHKFSA-N 402.498 4.148 0 1 HIAF CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@H]2OC[C@@]2(CCCc2ccccc2)C[C@@H]3[C@H]1C5 253696966 AFNNIVJCAOZVSR-IOBJUJPKSA-N 417.549 4.079 0 1 HIAF CC1=CC=C2/C=C/C(C)=C(/C)C[C@H](C)C(=O)[C@H](C(=O)O)[C@@]3(C)O/C(=C/1O2)C(O)=C3O 263614621 PBKVAXUNUBEUPO-OQVIRWJJSA-N 414.454 4.377 0 1 HIAF in-vitro C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)[C@H]3[C@@H]3O[C@@]132 299878462 JCRZLXZHRIAGFX-XLPKKKHLSA-N 401.591 4.412 0 1 HIAF COc1ccc2c(C)c(CCc3nc4cc(C(F)(F)F)cnc4[nH]3)c(=O)oc2c1C 586918168 JMCMAFMJLYGYFQ-UHFFFAOYSA-N 417.387 4.494 0 1 HIAF CSc1sc(-c2nc3c(Cl)ncnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920445 QXRBKUGJUHCIHF-UHFFFAOYSA-N 423.372 4.292 0 1 HIAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(F)c(F)cc2[nH]1 586945928 MVNSBIGEHVBYHG-UHFFFAOYSA-N 411.480 4.110 0 1 HIAF COC(=O)c1ccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2c1OC 586977851 UHTWBBFRKLKULU-UITAMQMPSA-N 417.259 4.300 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587017446 WUUUXYZNNHUJCG-ZDUSSCGKSA-N 422.304 4.477 0 1 HIAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3nn([C@@H](C)CC)cc3Cl)nc2c1 587078789 BIIMGOFKJSCPRE-LBPRGKRZSA-N 409.943 4.129 0 1 HIAF O=C(c1cc(F)ccc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 587275986 IHMVUOJCFMUPHN-UHFFFAOYSA-N 418.140 4.472 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(CC(=O)O)ccc2COc2ccccc21 587410607 YSQJDNPHTJQZQU-RUZDIDTESA-N 415.445 4.006 0 1 HIAF COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)cc1 587435474 HNXWCDDEJPDIFN-WZONZLPQSA-N 401.418 4.033 0 1 HIAF CC(=O)Nc1ccc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509515 DGGYAHKFRDZHFV-LECGRMGRSA-N 404.510 4.460 0 1 HIAF CCOC(=O)/C(=C/N(C)C)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514271 WJPOZTIFOFNFKY-LANDENDNSA-N 419.521 4.435 0 1 HIAF CC(C)(C)OC(=O)N1CC(O[C@@H]2CC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 587516710 FBTUCBNTJOUSER-HYBUGGRVSA-N 413.514 4.068 0 1 HIAF O=C1c2cc(O)ccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(O)ccc21 587533988 UAFBACIVJDBBLS-SANMLTNESA-N 412.441 4.430 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cn3ccnc3)c2)N1 587755753 QKPBNFIIQNCNSI-ZUOKHONESA-N 400.295 4.457 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587769008 LXMOAHHLTNZHQK-XBFCOCLRSA-N 411.315 4.101 0 1 HIAF COc1ccc([C@@]2(CC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587811072 UXIAFAZZPVIKEZ-FKIZINRSSA-N 406.295 4.354 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2(C(=O)O)CC2)N1 587825386 HRMHAWDUDZTOCY-ODXCJYRJSA-N 404.279 4.231 0 1 HIAF O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2ccccc2OC(F)(F)F)c1 621430360 QXRAVTWCGFWWFE-MRXNPFEDSA-N 405.372 4.179 0 1 HIAF Cc1ccnc2c1c([C@@H]1N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc31)cn2C 963164807 ADGUQWBGSBWAND-DOTOQJQBSA-N 423.822 4.242 0 1 HIAF Cc1cc2c(cc1O)[C@](Cc1cccc(F)c1)(c1ccc(F)cc1)N[C@H](C(=O)O)C2 963550349 LFUHLSZGPLCCAX-URXFXBBRSA-N 409.432 4.064 0 1 HIAF O=C(Nc1ccccc1)c1c(O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O 1772576816 UUXYDFLCAFPDHQ-UHFFFAOYSA-N 415.474 4.316 0 1 HIAF COc1cccc(Cc2cc(C)nn([C@@H](C)C(=O)Nc3ccccc3Cl)c2=O)c1 1857548349 JIVRGQWBJMJMTP-HNNXBMFYSA-N 411.889 4.004 0 1 HIAF Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccccc3)c(C(=O)NC3CCCCC3)n2c1 1857593703 DUYFLYYJUVEXQK-KRWDZBQOSA-N 420.513 4.111 0 1 HIAF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=C/C(=O)NCc1cccc(OC)c1 1857598390 VMVSYADKAQVSPU-MDZDMXLPSA-N 412.873 4.336 0 1 HIAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4cccnc4)cnc3[nH]2)c1)N1CC[C@@H](F)C1 1857615293 GTCFCXQVSOXSAB-OAHLLOKOSA-N 420.423 4.402 0 1 HIAF CC(=CCCC(=CC[C@H]1OC(=O)C=C1CO)CO)CCC=C(C)CCC[C@@H](C)CO 2356418202 CCONHYLQHTWPKT-ZJSXRUAMSA-N 420.590 4.391 0 1 HIAF COC(=O)C1=CO[C@H](C)[C@]2(C)CN3CCc4c([nH]c5ccc(OC)cc45)[C@]3(C)C[C@@]12C 2356517031 UHDJCSZGZJGMDR-DHZAVWIJSA-N 424.541 4.142 0 1 HIAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356666931 PQYAWMPAHUIQOS-ZDXQCDESSA-N 419.569 4.373 0 1 HIAF CCCCOCC=Cc1cc(OC)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 2356743397 YQSAYBNHZLLVQX-XXBNENTESA-N 414.498 4.449 0 1 HIAF O=C(N[C@@]1(Cc2ccccc2)CCN(CCCc2ccccc2)C1=O)c1ccccc1 36389143 HOCZENSYSCCMPD-HHHXNRCGSA-N 412.533 4.263 0 3 HIAF COc1ccc(CC(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1 2724528 WJKYEQKFXWTSHB-DEOSSOPVSA-N 420.896 4.461 0 1 HIAF Cc1ccc(C(=O)COc2cccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1C 2996352 MLQMNOGMLXHIJV-BRNYJPRKSA-N 403.478 4.101 0 1 HIAF CC[C@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@H](C(C)(C)O)C2 13379080 NSWHDVGYGYSKPN-GUYCJALGSA-N 422.477 4.469 0 1 HIAF biogenic CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1cccc(OC)c1)CCCCC3 13837614 CGAQBZKVXONIKP-HXUWFJFHSA-N 408.498 4.303 0 1 HIAF O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccc(F)cc1)CC2 14024212 VGBQPBWCRFVQJM-GOTSBHOMSA-N 407.533 4.280 0 1 HIAF CCCc1c(O[C@H](C)CCCOc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28395899 FDKGCYFABDMHAW-OAHLLOKOSA-N 424.501 4.354 0 1 HIAF O=C(Cc1ccccc1Br)NC1CCN(C/C=C/c2ccccc2)CC1 28456949 PNCFRLDQNCNRED-RMKNXTFCSA-N 413.359 4.286 0 1 HIAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCC[n+]1ccccc1 28478115 QLNWBKOFGNVZGA-HJWRWDBZSA-N 422.501 4.258 0 1 HIAF COc1ncc(-c2ccc(F)c(Cl)c2)c(N2CCC(c3[nH]cnc3C)CC2)n1 36176452 UEOAEDYBCIOABB-UHFFFAOYSA-N 401.873 4.360 0 1 HIAF CCCC[C@@H](CC)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(Cl)c(F)c2)C(=O)O1 40406851 ZNLUECRWFKKEBI-GKCCRTAISA-N 412.885 4.300 0 1 HIAF CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@]1(C)c1ccc(Br)cc1 49067517 BQBNOVFIJKMOBN-KRWDZBQOSA-N 408.321 4.442 0 1 HIAF O=C1C=C(C(F)(F)F)[C@H]2C=C(N(Cc3cccs3)CC(F)(F)F)C=C[C@H]2N1 52996753 SDJYYRIQPGVPOF-TZMCWYRMSA-N 408.367 4.169 0 1 HIAF COc1ccc(Br)c(-c2nnc3sc(-c4ccc(C)cc4O)nn23)c1 73294531 WHOUXNFIRDMSKQ-UHFFFAOYSA-N 417.288 4.305 0 1 HIAF c1ccc(CCc2nc3c(NCc4cccs4)ncnc3n2C[C@H]2CCCO2)cc1 82178068 ZXXFCUGNZXUWOV-GOSISDBHSA-N 419.554 4.464 0 1 HIAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OC[C@@H]2C1CC1 95552816 YDACQIWLKDKRBL-XMUJVURDSA-N 404.510 4.044 0 1 HIAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 114099056 QAAYNFSQPRQNFJ-HSZRJFAPSA-N 422.569 4.355 0 1 HIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](F)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118919901 ZQZFTIODRGJPCF-KWXDGCAGSA-N 410.570 4.426 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)C3=C(CC[C@H]12)[C@@H](OC(C)=O)C1=C(C)C(=O)O[C@@H]1C3 136529398 AMSYBMMUEQADOI-CLODTNMZSA-N 416.514 4.030 0 1 HIAF NC(=O)c1ccc2nc(-c3ccc(Cc4cc5c(cc4Cl)OCO5)cc3)[nH]c2c1 139617462 WYBIOHNLNJJEAJ-UHFFFAOYSA-N 405.841 4.302 0 1 HIAF CCC(CC)COc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(OC)c1 140607139 FYZYWDQJQHRPHP-VJBWXMMDSA-N 411.542 4.464 0 1 HIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc2c(c1)OC(F)(F)O2 167361387 ZVAPJUVMCPUKOM-CQSZACIVSA-N 405.397 4.279 0 1 HIAF O[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 169703824 OAIFWLDGIQRRMJ-QAQDUYKDSA-N 416.953 4.351 0 1 HIAF CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 169709522 FWVNGNYKPNCKQO-HTAPYJJXSA-N 409.530 4.115 0 1 HIAF Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)nc1 205342297 DLZIJJOVXGIHAK-UHFFFAOYSA-N 420.391 4.351 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc(Cl)cc4F)ncc23)ccn1 261174004 UKYDPPXFHZOMRV-UHFFFAOYSA-N 410.840 4.443 0 1 HIAF COc1cncc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 587001184 UISAWZUCZVPPJU-UHFFFAOYSA-N 410.275 4.403 0 1 HIAF O=C(Nc1nc(Cc2nc3cc(Cl)cc(F)c3[nH]2)cs1)c1cccc(O)c1 587019937 SVZQDKRNCNVIAZ-UHFFFAOYSA-N 402.838 4.361 0 1 HIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)c21 587032736 OEQUJEPTLUNVRX-LBPRGKRZSA-N 412.540 4.169 0 1 HIAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587051670 RSHJRDMXLDCRAY-UHFFFAOYSA-N 408.266 4.444 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2cnc(Cl)cc2[nH]1 587181178 OFNYOABZBOLEKD-SSDOTTSWSA-N 401.639 4.050 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)C[C@@H]1CCCO1 587197531 QGVPHDVKGVZVGV-JTQLQIEISA-N 401.294 4.181 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(Cc3ccncc3)CC2)[C@H]1c1ccc(F)cc1 587346065 RHGZYIHHTXIUDM-QHCPKHFHSA-N 418.468 4.320 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1F 587567644 IMBKKKVOOBFXAJ-QPPBQGQZSA-N 421.424 4.071 0 1 HIAF CCOc1ccc(-c2nn(C(=S)NC3CCC3)c(=O)c3ccccc23)cc1OCC 587670959 NABXYBCBVNMFBK-UHFFFAOYSA-N 423.538 4.136 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cccc(F)c2)N1 587728115 CTNCGYTYFLAANJ-WLRWDXFRSA-N 410.258 4.370 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccncc2)N1 587763286 IYICLOOXGJXIIE-WLRWDXFRSA-N 401.283 4.007 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C(C2CCOCC2)(C2CCOCC2)N1 587836403 UIWQAQQKFWBRRW-CYBMUJFWSA-N 412.343 4.171 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(N)=S)cc2)N1 587844399 NQQBHXCPIHHLDV-MLCYQJTMSA-N 408.340 4.041 0 1 HIAF O=CN(C=O)C[C@@]1(C2CCC(F)(F)CC2)c2ccsc2CCN1Cc1ccco1 962702659 GAZBCIKIBISOFW-OAQYLSRUSA-N 422.497 4.035 0 1 HIAF COc1ccccc1CC[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962915106 APBAMVFGGFOIFL-WIOPSUGQSA-N 405.469 4.310 0 1 HIAF COc1cccc2cc3c(nc12)C1(CCN(CCc2ccc(F)cc2)CC1)NCC3 963048561 TVZDAQAAFOORGU-UHFFFAOYSA-N 405.517 4.062 0 1 HIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(CCc3nc(Cl)ccc32)N1 963189847 NICVSQZCHTTWAO-PXAZEXFGSA-N 417.214 4.196 0 1 HIAF C/C=C/c1ccc(Nc2ncnc3cc(N4CCN(CCOC)CC4)c(F)cc23)cc1 1857592658 SZFTZXSLNGKFBT-ONEGZZNKSA-N 421.520 4.314 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OC[C@H](C)O)cc21 1857606294 LBAHWKVORNPHHA-SFHVURJKSA-N 402.494 4.100 0 1 HIAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cn(C)c4ccccc14)[C@@H]23 1857632837 KZDVPSOZBIKMFM-DBSKKGOSSA-N 423.601 4.196 0 1 HIAF CC(=O)O[C@]1(C)[C@H]2c3cc4oc(-c5ccccc5)cc(=O)c4cc3O[C@H]2OC1(C)C 2356713551 MEZWCMSJPRUAKQ-WPFOTENUSA-N 406.434 4.393 0 1 HIAF CO[C@H]1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 11874728 CTJDGZKXUNHJET-VWLOTQADSA-N 422.569 4.024 0 3 HIAF COc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NCC(C)(C)CO 774792 XTKHLSJVHPHRFT-UHFFFAOYSA-N 414.889 4.419 0 1 HIAF O=C(CCCc1ccccc1)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21 13455289 DBAWGZLWFPLLGA-DLBZAZTESA-N 407.297 4.442 0 1 HIAF CCc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)cc1 13761458 FWUORMCJYYFPAJ-SANMLTNESA-N 414.457 4.376 0 1 HIAF CCN(CC)C(=O)N(C)C[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 26175261 TYIBMMJUKQOSPL-HSZRJFAPSA-N 407.514 4.241 0 1 HIAF CC[C@@H]1CC[C@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[nH]c3=O)S[C@@H]2C1 28524129 ATVDVPAZNBSTDN-AXAPSJFSSA-N 402.516 4.231 0 1 HIAF CC(=O)OC/C(=C\Cc1cc(/C=C/C(=O)O)ccc1OC(C)=O)CCC=C(C)C 35049229 JGJFXUFMIHNXAZ-DTROAJNRSA-N 400.471 4.488 0 1 HIAF CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 39380942 KNXMRHQILFADJG-OAQYLSRUSA-N 420.582 4.256 0 1 HIAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccccc2OC(F)(F)F)C1=S 95872348 ZHZOSIPITOUKHI-UHFFFAOYSA-N 416.421 4.378 0 1 HIAF Cc1nc(C(F)F)c(C(N)=O)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 101581771 HCTLEJRHZGHJML-BETUJISGSA-N 403.429 4.237 0 1 HIAF Nc1ccccc1NC(=O)CCCCCNC(=O)CCc1ncc(-c2ccccc2)o1 117581587 PWZNWGHLLYHBLC-UHFFFAOYSA-N 420.513 4.172 0 1 HIAF CC(C)[C@@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@@H]12 137829051 LAAZEJPVRHNOIV-OBNJBMLMSA-N 417.962 4.155 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C(C)=O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299819526 DIISWROLLPLGMW-QKONGSNMSA-N 416.606 4.251 0 1 HIAF CC(=O)c1ccc(-c2cccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)cc1 586878843 ATQXMTPXKYCDNL-UHFFFAOYSA-N 419.506 4.350 0 1 HIAF Fc1cc(Cl)cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586968907 DVCPZXSFBCADBS-UHFFFAOYSA-N 404.810 4.426 0 1 HIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(S(=O)(=O)N(C)C)ccc2[nH]1 587065946 GAILWBPRFUTNSF-UHFFFAOYSA-N 414.918 4.233 0 1 HIAF Clc1ccc(-c2nnc(CCc3nc4cc(Br)ncc4[nH]3)o2)cc1 587077070 QHHYAAABABMUOS-UHFFFAOYSA-N 404.655 4.209 0 1 HIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cnnc(O)c2[nH]1 587086866 NJSBQRUVCMXEQM-SREVYHEPSA-N 401.257 4.089 0 1 HIAF Fc1c(F)c(F)c(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(F)c1F 587134397 KXSFRTIRJGCGDC-RQOWECAXSA-N 409.358 4.261 0 1 HIAF COC(=O)[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587348961 HXONKZPWOWARTL-RZTXVSJASA-N 418.420 4.446 0 1 HIAF CC[C@]1([C@@H](C(=O)OC)C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351624 NBJVFEBYZHTPPG-ZRCGQRJVSA-N 400.446 4.484 0 1 HIAF CCOC(=O)c1cnn(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)c1 587517527 PFTSLUYNJAVRNY-NRFANRHFSA-N 417.465 4.029 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554072 GULCTDWGRNJFNK-VQIMIIECSA-N 404.344 4.330 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(COc3ccc(C)cc3OC)nc2c1 587563402 DABJWWZMRJGPPR-UHFFFAOYSA-N 405.248 4.008 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2OCCO2)(c2cccc(F)c2)N1 587730668 JXHMHDYOFOFIPZ-FKIZINRSSA-N 424.285 4.268 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(Cc3ccccc3)n2)N1 587763607 KLQFCVOCKJJPKP-ZUOKHONESA-N 400.295 4.457 0 1 HIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587787381 VDXGNEGDWDUJEG-GHMZBOCLSA-N 406.667 4.317 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3sc(N)nc32)N1 587859391 WLHNPBDPWIEPAK-LZVRBXCZSA-N 410.356 4.377 0 1 HIAF CC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sc(-c3ccc(Cl)cc3)cc21 958061083 NCLAZVOAMJYFCT-UHFFFAOYSA-N 410.882 4.123 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2Cl)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962629813 IJJLVZSQMANZNQ-FPTDNZKUSA-N 403.906 4.040 0 1 HIAF Cc1ccc(C(=O)Nc2cccc([C@@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)c2)cc1 962901840 SJTNBTMHFHENKE-VXKWHMMOSA-N 404.441 4.075 0 1 HIAF CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccccc4)on3)n2)cc1 1857586240 MVYPUOKVRYWDOJ-UHFFFAOYSA-N 420.494 4.230 0 1 HIAF COc1cc2c(c(OC)c1)C(=O)[C@@H](c1ccc3c(c1OC)C[C@@H](O)C(C)(C)C3)CC2 2356570867 YOJIDZRPCZHMDV-DYESRHJHSA-N 410.510 4.111 0 1 HIAF C[C@H]1[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205709455 GTAKZDGQCJBOTQ-BBTHKVSRSA-N 408.464 4.395 0 3 HIAF CC(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)c1 13580636 FLLFGDHYICFTTN-UHFFFAOYSA-N 419.389 4.330 0 1 HIAF O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1 13608777 UXMSMPLWAVJIOJ-OWOJBTEDSA-N 422.331 4.241 0 1 HIAF C[C@@](O)(c1ccc(Cl)cc1Cl)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26009421 DNYCEXVCJFBDSF-MSOLQXFVSA-N 412.704 4.034 0 1 HIAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(O[C@H]2CCCNC2)ccc1Cl 28825939 VXFCQJMLQVJIKZ-UVLALUNPSA-N 402.966 4.417 0 1 HIAF C[C@H](OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1)[C@@H](C)O 40373991 UDRQASHQXVJFFN-FWUNERBMSA-N 410.558 4.029 0 1 HIAF Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N(C)c1ccc(Cl)cc1 40896101 MKFYBFAZPIICFT-UHFFFAOYSA-N 411.911 4.084 0 1 HIAF Cc1cccc(N2CCN(CCCNC(=O)c3cc(C(C)(C)C)n(C)c3C)CC2)c1C 58575984 JIMTYJXUIMFECK-UHFFFAOYSA-N 424.633 4.190 0 1 HIAF O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@H](O)CNCc1ccccc1 73163297 YXVLQOAEEYUXRD-JOCHJYFZSA-N 407.485 4.171 0 1 HIAF C[C@]1(C(F)(F)F)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21 73221849 MXILMRCUZDBQJR-SFHVURJKSA-N 413.392 4.328 0 1 HIAF CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCCN1C(=O)C(=O)c1ccccc1 95596824 MEEFSFZBJCJBOJ-GOTSBHOMSA-N 420.553 4.168 0 1 HIAF COc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)cc1 100096237 ARSUAUPWLYNDSQ-BKFWDETESA-N 417.484 4.473 0 1 HIAF O=C(O)C[C@H]1NCCc2c1[nH]c1ccc(OCc3ccc(C(F)(F)F)cc3)cc21 114895503 JMWNUNJZMFRTNQ-GOSISDBHSA-N 404.388 4.427 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)nc1)Nc1ccc([C@H]2CNCCO2)cc1Cl 149905369 RHIVXACMZCNCEU-CQSZACIVSA-N 400.788 4.059 0 1 HIAF Cc1nnc2sc(C(=O)NCc3ccc(-c4cncc(F)c4)cc3)c(N)c2c1C 221828258 NBRQIETWIVDBOX-UHFFFAOYSA-N 407.474 4.021 0 1 HIAF CN(C)C1CCN(C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1 223057978 GUBGMFZKLILATO-UHFFFAOYSA-N 421.614 4.353 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2cccc(F)c2)cc1 299862438 JQLKYNCPHUMKRM-GGAORHGYSA-N 421.497 4.001 0 1 HIAF Cc1cc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1Br 586977145 NYNGWWSXMHALKM-UHFFFAOYSA-N 400.320 4.057 0 1 HIAF O=c1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170918 GTLXBOXAFVNRII-UHFFFAOYSA-N 421.382 4.483 0 1 HIAF CCOC(=O)CNc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587226319 ABPVEYYUNDOWCU-UHFFFAOYSA-N 409.671 4.016 0 1 HIAF O=C1c2ccc(O)cc2O[C@](Cc2cccc(F)c2)(C(=O)O)[C@H]1c1ccc(F)cc1 587332125 IZHQOISNEDXCEC-REWPJTCUSA-N 410.372 4.095 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CC4(C[C@H]3C2)OCCO4)[C@@H]1c1ccc(F)cc1 587357011 MBGXSOPMMBNLFL-WDQPAMAPSA-N 410.441 4.192 0 1 HIAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3cccnc3Cl)CC1)CC2=O 587462801 TWMKQOGTUJJOPI-UHFFFAOYSA-N 414.889 4.033 0 1 HIAF COC(=O)c1ccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508581 AWVZWDDFXHOLHC-XMMPIXPASA-N 407.466 4.105 0 1 HIAF CC1(C)Cc2nc(O)ccc2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587585166 CHIMZTLIDOSVLT-GBXCKJPGSA-N 403.434 4.322 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590440 YKARYDJDXDCICG-GGYJFVFOSA-N 423.465 4.122 0 1 HIAF CCn1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587708936 GJCVVFXCVGXIPG-ABKXIKBNSA-N 420.248 4.453 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCOCC2)N1 587769903 BRZZSYMIYCVHAL-XCLFUZPHSA-N 405.311 4.048 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccc4c3n(c2=O)CC4)N1 587794483 VGTGYPWNUYIGOZ-JEOXALJRSA-N 413.290 4.083 0 1 HIAF C[C@H](O)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587802948 OPTKGTHDJXKLES-XAAFQQQXSA-N 403.295 4.228 0 1 HIAF COc1cc2c(cc1OC)[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804370 BAALODONGFQTFC-PRWKNARSSA-N 406.295 4.329 0 1 HIAF COc1cc(C)cc2c1OCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587834883 NCPOTHVIWXCTQI-MPBGBICISA-N 406.295 4.466 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=S)N(C)C)c2)N1 587842854 GRQIVFLJEDOCSV-ADLMAVQZSA-N 423.351 4.437 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc(OC(F)F)c2)N1 962697161 LNTDMHDYIHRDLD-LSDHHAIUSA-N 405.294 4.134 0 1 HIAF Cc1cc(=NC(=O)c2nn(Cc3ccc(Cl)cc3Cl)c3c2CCC3)cc[nH]1 1772628487 LZXVPRDXOSMYEE-UHFFFAOYSA-N 401.297 4.105 0 1 HIAF COc1c(Cc2cccc(C)c2C)cc(=O)n2c1SC[C@@H]2C(=O)Nc1ccccc1 1857541211 FOQVAWJFJUXZSY-HXUWFJFHSA-N 420.534 4.350 0 1 HIAF C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H]5C[C@]4(CO5)[C@H]3CC[C@@]21C 1857756485 QKONQSZPJPVDCR-OEXCTWSXSA-N 417.634 4.500 0 1 HIAF CC(C)C(=O)OCC1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@](C)(CC(=O)O)O2 2356653708 ILGOTJMUMBDLFG-KMWWZSGLSA-N 422.562 4.102 0 1 HIAF CCCC[C@@H](CC1=CCN=C1)[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 2356818243 DRXKBLFMRWTLGS-NZQKXSOJSA-N 415.530 4.432 0 1 HIAF O=C1N[C@@H](Cc2ccccc2)c2nc3ccccc3c(=O)n2-c2cc(Cl)ccc21 36389171 FXJBTPOXPLUTAQ-IBGZPJMESA-N 401.853 4.066 0 3 HIAF COc1ccc([C@@H]2Sc3cc(OC)ccc3N(CCN(C)C)C(=O)[C@@H]2C)cc1 3780140 CTODIDSYHUNZEK-QVKFZJNVSA-N 400.544 4.082 0 1 HIAF O=C(CCc1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1 6813882 SKYFUELJMZKOQQ-UHFFFAOYSA-N 403.507 4.146 0 1 HIAF in-vitro O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1cccc(F)c1 13442405 FNGBYTBDUQDISM-UHFFFAOYSA-N 414.433 4.448 0 1 HIAF COCC1(N(C(=O)[C@H](C)F)c2ccccc2)CCN(CCc2cccs2)CC1 13676634 JSQPDFXSOMVVSP-SFHVURJKSA-N 404.551 4.163 0 1 HIAF O=C(Cc1ccccc1)N[C@@H](CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O 28373013 CGUMENUMQZYHLN-QFIPXVFZSA-N 423.557 4.135 0 1 HIAF CN1C(=O)[C@H](Cc2ccc(-c3ccc(O)cc3)cc2)NC(=O)c2cc(Cl)ccc21 40565197 IBOLNXSXEQFOKY-FQEVSTJZSA-N 406.869 4.030 0 1 HIAF O=C(Nc1ccc2c(c1)CCN2[C@H]1CCN(Cc2cccc(F)c2F)C1)c1ccco1 45190814 LXQHOTOMJFMDIO-IBGZPJMESA-N 423.463 4.447 0 1 HIAF CC(C)c1cccc([C@@H]2CNC[C@@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49054750 BNZWVFLAIKWMBC-OALUTQOASA-N 409.917 4.247 0 1 HIAF CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCCN1CCCC1=O 82188769 QGTVNBLDQZNAPU-GOSISDBHSA-N 420.561 4.007 0 1 HIAF O=C(O)[C@@H]1CCCN(CCO/C=C\c2ccc(F)cc2Cc2ccc(F)cc2)C1 96923644 CKGRYFOTNXJPRK-UZRURVBFSA-N 401.453 4.340 0 1 HIAF C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)ncnn32)C1 101404638 FILMJNHPVCSZTN-HMRCJKRNSA-N 422.492 4.217 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)c1C 101417732 KKAKZTLYKANGNB-RYRKJORJSA-N 412.490 4.057 0 1 HIAF Cc1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)cc1 143363246 NJAFHWASSIROBQ-UHFFFAOYSA-N 408.465 4.451 0 1 HIAF c1ccc(Nc2ccc(Oc3nccnc3-c3cnn(C4CCNCC4)c3)cc2)nc1 143374460 CSCVNSBTZJACSI-UHFFFAOYSA-N 413.485 4.196 0 1 HIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1[C@H](C)OCC2)c1ccccc1 146146827 CKGBTTAUJWZMGS-ABSDTBQOSA-N 409.530 4.085 0 1 HIAF Cc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1Cl 167834253 ROOZARVTQVRNTL-UHFFFAOYSA-N 407.901 4.454 0 1 HIAF CC(C)(C)[C@@H]1Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1 199132944 ZFCKCMYWAFSXOW-AWEZNQCLSA-N 418.540 4.061 0 1 HIAF COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@H]2OCCC[C@@H]12 254046362 COSCUZRDNFVXDW-KPFFETTNSA-N 409.320 4.297 0 1 HIAF COc1cc2c3c(c1O)-c1cc4c(cc1C[C@H]3N(C)C[C@@H]2c1ccccc1)OCO4 473082084 GCHJSHYKQQLMEH-RTBURBONSA-N 401.462 4.471 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc(C)cnc3[nH]1)C(=O)OC2 586915983 SZHVJCBWOZJVSM-XGICHPGQSA-N 407.470 4.081 0 1 HIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)c1C 586947422 NXKBDUJARZGWOL-UHFFFAOYSA-N 413.890 4.091 0 1 HIAF CCOc1cc2oc(=O)c(-c3nc4ncc(C)cc4[nH]3)cc2cc1Br 587000231 OIBBIMJELFSIGA-UHFFFAOYSA-N 400.232 4.201 0 1 HIAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(C)c4[nH]3)ccc2s1 587034614 VOPRPHMKLCNZJZ-UHFFFAOYSA-N 423.494 4.418 0 1 HIAF O=C(O)c1cc(Br)cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077223 RYBCSUXXKLWONP-CQSZACIVSA-N 420.650 4.294 0 1 HIAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587154989 IATYJGUGXOSBJV-GOSISDBHSA-N 405.495 4.263 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCN(c3ccccc3)C(=O)C2)[C@H]1c1ccc(F)cc1 587343324 JRUCOEDCABPJAX-UKILVPOCSA-N 417.436 4.456 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4c(Br)cccc41)[C@@H](C2)C3=O 587419216 XETQFDKHXZYRKA-VBKZILBWSA-N 401.256 4.273 0 1 HIAF CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517477 NZZXKAMFFSXEDD-GYCJOSAFSA-N 413.514 4.463 0 1 HIAF CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524469 RICKZNDACVVUES-RUZDIDTESA-N 406.478 4.257 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585067 CHJNZKCADMDFMA-KSTZOCBDSA-N 423.465 4.264 0 1 HIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(OC(F)(F)F)cc1 587650486 XTEINDZCXNNPBH-UHFFFAOYSA-N 412.389 4.031 0 1 HIAF COc1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587739131 FZHMJNBGAUMZCM-UGZSOSCUSA-N 419.338 4.450 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(OC(=O)c3ccccc3)C2)N1 587810324 KTUKECWRVCZFIU-BPZZSBNFSA-N 404.279 4.337 0 1 HIAF COC(=O)[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587811843 XMCVZRHTCYLYMV-GIQGCJHYSA-N 404.279 4.026 0 1 HIAF CCc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(S)n1 587841427 BJBSRPBRORDNBN-DYBLOJMWSA-N 410.356 4.335 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2nccn2C)N1 587850704 DXIXUPZVOFFECR-VOJFVSQTSA-N 406.324 4.209 0 1 HIAF COc1ccc([C@@]2(Cc3ccncc3)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962578067 ZWVYIVKFZUXWTJ-QYBDOPJKSA-N 418.537 4.470 0 1 HIAF COc1ccccc1[C@]1(c2ccc(C)cc2C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901618 RCXFIFHZTZUYTP-WIOPSUGQSA-N 405.469 4.342 0 1 HIAF Cc1ccc([C@]2(c3cc(C)ccc3C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)nc1 963222037 KEJSGYGLUOZGPQ-RPLLCQBOSA-N 423.516 4.446 0 1 HIAF Cn1cnc(-c2cc(-c3nn[nH]c3F)ccn2)c1-c1ccc(F)cc1OCC1CC1 1857768988 KSVLYGYZCVITGZ-UHFFFAOYSA-N 408.412 4.001 0 1 HIAF CC=CC=CC[C@@H]1C[C@@H]2C=CC(C)=C[C@@H]3C=C[C@H](O)[C@H](O)[C@@H]3C(C)=CC=C[C@@H]2C(=O)N1 2356529836 UIBDXMJAGQYGAG-WNHGKYMDSA-N 421.581 4.172 0 1 HIAF COc1cccc(C[C@@]2(CO)CCCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)c1 11879111 GLEDEDDUXHFWRX-SANMLTNESA-N 419.569 4.315 0 3 HIAF Oc1nc(S)nc2c1[C@H](c1ccc(F)cc1)O[C@@H](CCOCc1ccccc1)C2 169304289 SRHCTTFBSSIYQM-PXNSSMCTSA-N 412.486 4.248 0 3 HIAF O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2ccccc2[C@H]1CN1CCCC1 3796051 YOLQXHYBPFPWEI-OAQYLSRUSA-N 402.460 4.470 0 1 HIAF Cc1c(CO)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 13494052 DVCWNIIITNXJFM-UHFFFAOYSA-N 403.269 4.266 0 1 HIAF CC(C)=Cc1ccc(-c2ccc(CCC[C@H](P(=O)(O)O)S(=O)(=O)O)cc2)cc1 13746386 RGZAJJXKENRILA-HXUWFJFHSA-N 424.455 4.491 0 1 HIAF CCCCN(CC)c1nc(C)nc2c1nnn2-c1ccc(N(C)C)cc1C(F)(F)F 13794968 BEUMNWWFWONTEF-UHFFFAOYSA-N 421.471 4.230 0 1 HIAF CC(=O)OCC1=CCC[C@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@]12COC(C)=O 15050808 QFOVBSYLEHDSPP-PYAWSZAISA-N 418.530 4.135 0 1 HIAF biogenic O[C@H](COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12 26978733 QPVCARYMJPFDQI-QFIPXVFZSA-N 403.522 4.239 0 1 HIAF C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCCC1 27618002 OOFOACXCPZFTFT-OAHLLOKOSA-N 400.906 4.448 0 1 HIAF COc1cc(Cl)nc(NC(=S)NC(=O)c2ccc(-c3ccccc3Cl)o2)n1 28565999 YHAIOEVRAPMHHT-UHFFFAOYSA-N 423.281 4.179 0 1 HIAF Cc1occc(=O)c1OCCCCCOc1c(C)n(Cc2ccccc2)ccc1=O 28712735 KPEKBOIFQXVRMF-UHFFFAOYSA-N 409.482 4.095 0 1 HIAF CCN(CC)C[C@@H]1CCCCN1C(=O)N1c2ccccc2C(=O)Nc2cccnc21 29410259 PZWLPURDHRNAMB-KRWDZBQOSA-N 407.518 4.102 0 1 HIAF CCCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOCC1)CC2 36488041 LEYYJOBTMJQHCX-UHFFFAOYSA-N 423.601 4.461 0 1 HIAF COC(=O)[C@@H](C)CO[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 40822691 DTDYALJYGJIMOO-SIBVEZHUSA-N 415.489 4.369 0 1 HIAF Cc1ccc(F)c(OCC2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)c1 45167191 IQVXAYMJMHFSEO-UHFFFAOYSA-N 417.912 4.370 0 1 HIAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@H]3NC(=S)NC(=S)[C@@H]32)cc1 64393133 XXEYLJLVKQNJRK-QWFCFKBJSA-N 406.532 4.120 0 1 HIAF Cc1cc2c(CC(=O)O)c(C)n(Cc3ccc(S(C)(=O)=O)cc3Cl)c2s1 66078266 RTSWBUWMSOJCEL-UHFFFAOYSA-N 411.932 4.052 0 1 HIAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CCCCN3[C@H]2CO)cc1 95877066 XNACUZIZQDXWGE-SMBBKUGLSA-N 423.532 4.315 0 1 HIAF CCC/C=C\C/C=C\CCCCC[C@@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 96094953 CPHHQDCIGLXPCO-IMMUWJHFSA-O 412.591 4.083 0 1 HIAF in-vitro CC(C)(C)C(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636880 ZKODWZQWQHSZCE-BGYRXZFFSA-N 413.606 4.340 0 1 HIAF [C-]#[N+]c1ccc(C(=O)Nc2cccc([C@]3(C(F)(F)F)CCSC(N)=N3)c2)nc1 169700704 KXLMJYJOQPBSOB-KRWDZBQOSA-N 405.405 4.094 0 1 HIAF Cc1nc2ccc(O)c3c2c(c1CCOc1ccccc1C(N)=O)-c1ccccc1C3=O 586988117 ZMKWEYLWOPIMLW-UHFFFAOYSA-N 424.456 4.181 0 1 HIAF CCOC(=O)C[C@]1(c2cc(F)c(F)c(C)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423472 KOXWQTYUTYQYFF-JLCFBVMHSA-N 420.383 4.017 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1cc(OC)c(OC)cc1OC)CC2=O 587476864 GNWFGKMVCUNVPQ-QHCPKHFHSA-N 400.471 4.337 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCC(=O)O)cc1OC)CC2=O 587477691 DZZXGDSVOJOWAZ-OAQYLSRUSA-N 414.454 4.303 0 1 HIAF O=C1C[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3Cc2ccccc2)Oc2c1ccc1c2CCCC1 587518263 DMTXLBUHTIKXKI-BLZYYQICSA-N 403.522 4.067 0 1 HIAF CCOC(=O)[C@@]1(c2c[nH]c3ccc(OC)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 587526944 SBISHGPDTMALRJ-VWLOTQADSA-N 419.477 4.479 0 1 HIAF COc1ccc(-n2cccn2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587583988 XTYPYAUKEWQHFQ-XUZZJYLKSA-N 414.417 4.289 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587592371 YFPQAKFYGGOZHS-PGRDOPGGSA-N 407.422 4.217 0 1 HIAF COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2c(C(=O)O)cccc12 587638246 UOXLLWZRKPXAQY-UHFFFAOYSA-N 410.184 4.335 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(C(=O)O)N1 587693964 FRSJVQPCWNWLPN-XTZNXHDOSA-N 412.686 4.298 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccn(C)n2)N1 587729121 BTDJSCOPTZHGLI-YUNKPMOVSA-N 418.285 4.287 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)C(Br)=C2F)N1 587739261 UXYVSQKCWHADMU-GLEZIHRCSA-N 420.095 4.310 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c2ccc(Cl)c1F 587739657 VJITWJKKODGYSG-GJEGPGMTSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](N=O)C(=O)Nc2ccccc2)N1 587744821 TXFIFAFCSNKJQF-BAXPTACRSA-N 420.282 4.111 0 1 HIAF CC(=O)Nc1cccc2c1[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587745933 XRIGJAQMYUCGJW-GIPWTMENSA-N 403.295 4.271 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587826249 DVLDQDGHQIXOCE-GIGQVBGESA-N 410.283 4.305 0 1 HIAF COc1cccc(O[C@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 587867841 OTDOXUJGOHHYHG-GFCCVEGCSA-N 421.375 4.089 0 1 HIAF COc1ccc(/C=C\Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(OC)c1 587931050 YLXDLLSPGGDLDU-ARJAWSKDSA-N 417.259 4.297 0 1 HIAF CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H](SCc3ccccc3)N[C@@H]2C)cc1 618016559 BVDXXEPILRZNCN-CGYQNGNCSA-N 411.571 4.080 0 1 HIAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2cc(-c3cccc(N)c3)[nH]c12 1772633575 BLGSPJVVNPAFGP-UHFFFAOYSA-N 409.449 4.470 0 1 HIAF Fc1cccc2c1[C@H](C1CCN(c3ccc(N4CCOCC4)cc3)CC1)n1cncc1-2 1857535074 SACYRIVKHXSDPC-VWLOTQADSA-N 418.516 4.345 0 1 HIAF O=C(COc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1)Nc1cccc(Cl)c1 1857613893 MDHSFSUMZBWHRU-UHFFFAOYSA-N 405.841 4.261 0 1 HIAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356286632 JOJOTOFFEPJKEF-VAMGGRTRSA-N 417.557 4.488 0 1 HIAF CC(=O)c1cccc(CN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)c1 12075798 SFAUYIPRFSNCEF-GOSISDBHSA-N 414.496 4.476 0 3 HIAF O=C(N[C@]1(Cc2ccccc2)CCN(CCCc2ccccc2)C1=O)c1ccccc1 36389142 HOCZENSYSCCMPD-MHZLTWQESA-N 412.533 4.263 0 3 HIAF CC(C)(C)c1cc(NC(=O)[C@]2(C)CCN2C(=O)C2(c3ccccc3)CCCC2)no1 61928856 VJRSXABXJWOBKA-QHCPKHFHSA-N 409.530 4.414 0 3 HIAF CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc(O)c1 28332449 NJNMSBQJBJTUPG-HXUWFJFHSA-N 406.448 4.249 0 1 HIAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@H]1C2 29483841 GFWKHLGNTRIBOR-FWUNERBMSA-N 412.574 4.275 0 1 HIAF O=C(O)c1ccccc1C(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1 29551767 JNCJUEUWCTYNPP-UHFFFAOYSA-N 411.421 4.233 0 1 HIAF O=S(=O)(c1ccccc1)N1CCCc2cc(OCCCN3CCCCC3)ccc21 36188044 YYGKOGGYOJTWMV-UHFFFAOYSA-N 414.571 4.083 0 1 HIAF COc1cc2nc(N3CCCC3)nc(NCCCN(C)c3ccccc3)c2cc1OC 82130144 ZRRXFCDXOCLJBL-UHFFFAOYSA-N 421.545 4.186 0 1 HIAF Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2C(=O)N2CCOCC2)c1 82145046 HGGFKUIKPRHJQM-UHFFFAOYSA-N 422.916 4.190 0 1 HIAF Cn1cc(-c2ccc(CN3C(=O)[C@@](O)(C(F)(F)F)c4ccccc43)c(Cl)c2)cn1 95593402 NRRVIEYYXWNYOP-LJQANCHMSA-N 421.806 4.037 0 1 HIAF CNC1=NC(=O)[C@@H]([C@H](C)c2cn(C(=O)OCc3ccccc3)c3ccccc23)S1 169319776 WSWBEISKHBBOKF-AUUYWEPGSA-N 407.495 4.147 0 1 HIAF CC1(C)CC[C@H](c2cc(F)ccc2F)N1c1ccn2ncc(C(=O)NC3CC3)c2n1 169704165 HQCZHKJSSABUNL-GOSISDBHSA-N 411.456 4.020 0 1 HIAF Cc1noc(C)c1-c1ccc2c(c1)[C@](C1CCCCC1)(N1CCC[C@H](O)C1)C(=O)N2 219361644 CAAKCQJBYZDXBO-CYFREDJKSA-N 409.530 4.143 0 1 HIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@@H]3C=C12 504564939 DJDMTKVUPCOQPO-DDOGDFNNSA-N 410.533 4.182 0 1 HIAF biogenic COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3c(C)nccc3[nH]1)C(=O)OC2 586916022 UOLFNWUUTBLVTO-LFYBBSHMSA-N 407.470 4.081 0 1 HIAF CS(=O)(=O)Nc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 586950727 KQLNVSBTBXBNBR-UHFFFAOYSA-N 400.685 4.017 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)cnc2[nH]1)c1cc(F)ccc1F 587140610 ONQRCNOWVIZPSC-UHFFFAOYSA-N 420.828 4.357 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc2c1 587197187 KWPNFFFUCHAMAB-NSHDSACASA-N 402.292 4.330 0 1 HIAF CC[C@]1([C@H](C(=O)OC)C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351618 NBJVFEBYZHTPPG-MIZPHKNDSA-N 400.446 4.484 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Oc2ccccc2)=COc2cc(O)ccc21 587406636 CYEDTQIKQMKEQL-DEOSSOPVSA-N 401.418 4.456 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587435558 GHZHNOCKSVPUIE-REYXVDKWSA-N 413.514 4.381 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC(C(=O)OC)CC3)cc1)CC2=O 587476026 SMRHHKHVFTVZOH-QHCPKHFHSA-N 423.509 4.441 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=S)NC(C)(C)C)c(=O)c3ccccc23)c(O)c1 587668519 BFFCXTXKMQYOBI-UHFFFAOYSA-N 424.570 4.136 0 1 HIAF COc1cccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587739128 FZHMJNBGAUMZCM-IPHDZNCISA-N 419.338 4.450 0 1 HIAF CC(=O)N1CC[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1 587769750 PWEJDAYTOZITEM-YEJXKQKISA-N 417.322 4.118 0 1 HIAF CCCCC[C@@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962623388 BKZPWHTVIOJYST-QRWLVFNGSA-N 408.420 4.403 0 1 HIAF COC(=O)c1ccc([C@]2(C(F)(F)F)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962640532 WPVLQCMPPHUTOD-YEJXKQKISA-N 423.431 4.173 0 1 HIAF COc1cccc([C@]2(CCc3cccc(F)c3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962891309 DIWCPCBUYSLQAY-ZCYQVOJMSA-N 423.459 4.449 0 1 HIAF Cc1cc(CN2CCC[C@@H](C)C2)c(C)c([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1 962926267 AUBZFNZSPQPVRK-WXTAPIANSA-N 419.613 4.472 0 1 HIAF COc1cc2nccc([C@H](OC(C)=O)c3ccc4ncccc4c3OC)c2cc1OC 1772608471 ZARWODRDMNPMOT-DEOSSOPVSA-N 418.449 4.461 0 1 HIAF Fc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(N3CCCC3)n2)cc1 1857570844 MQCUWPFXZRPVQN-UHFFFAOYSA-N 409.534 4.473 0 1 HIAF COC(=O)c1ccc2nc(-c3ccc4nccn4c3)c(Nc3ccc(OC)cc3)n2c1 1857580228 SDFZMUCTQYKSPR-UHFFFAOYSA-N 413.437 4.188 0 1 HIAF CCCCOC(=O)[C@@H]1C[C@](C)(O)C[C@@H]2[C@@H]1CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 2356610459 LNFYPZFRGUFQCL-FRTLKMCASA-N 418.530 4.421 0 1 HIAF O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1)NC1CCCCC1 2908878 VSZLFIPUGVMJCX-UHFFFAOYSA-N 417.531 4.127 0 1 HIAF Cc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@H]3CCCc4ccccc43)c(C)o2)cc1 5058036 TUKPYDBIIZTJDX-URAOTHONSA-N 422.550 4.401 0 1 HIAF O=C(O)CCCCc1nc2[nH]cnc2c2nc(-c3ccc(-c4ccccc4)cc3)nn12 27207375 ACSUGMMZMHLDIS-UHFFFAOYSA-N 412.453 4.132 0 1 HIAF CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)Nc1ccc(SC)cc1 29060420 XXHWLCFFJLCOGY-SFHVURJKSA-N 404.557 4.395 0 1 HIAF CCOC(=O)CCCCCCO[C@@H](COCc1ccc(OC)cc1)Cn1ccnc1 29482162 ZKRUDFHIOFBVCR-JOCHJYFZSA-N 418.534 4.007 0 1 HIAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1 29559968 XXBDUYQPZRPNMB-UHFFFAOYSA-N 413.840 4.450 0 1 HIAF O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2c(=O)n(C[C@@H]3CCCN3)ccc12 43017432 RQARDUASJDPBSH-XBNFUDKQSA-N 419.569 4.299 0 1 HIAF CC(C)CCNC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 96922833 YCOHVBZVHZNZBA-UHFFFAOYSA-N 420.538 4.121 0 1 HIAF COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)NC3CCCCC3)cc2)c1 100093804 UNVRPWHGXVVHPD-UBRQYEGLSA-N 405.542 4.144 0 1 HIAF Cc1cc(S(=O)(=O)n2ccc3ccccc32)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100632726 CMKMDISZRQHMTR-LPHOPBHVSA-N 405.523 4.028 0 1 HIAF COc1cc2c(cc1OC)-c1c/c(=N/c3c(C)cccc3C(C)C)n(C)c(=O)n1CC2 100788836 HNFAGOMKGINFJE-RWEWTDSWSA-N 419.525 4.091 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccc(F)cc2)cc1 299856380 BRJRJWOWPFJJDT-GGAORHGYSA-N 421.497 4.001 0 1 HIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 586939387 NSVHUUPTYFXECL-SNVBAGLBSA-N 415.412 4.465 0 1 HIAF CC1CCC(NS(=O)(=O)Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CC1 586953426 UMLIMOLVUJKVKG-UHFFFAOYSA-N 409.861 4.233 0 1 HIAF COc1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 587238570 DJZINIIBJMRAMM-NYFKNOIKSA-N 401.507 4.127 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CNC(=O)OC(C)(C)C)cc1F)O2 587384473 DZISHJBNFWENOT-IBGZPJMESA-N 400.450 4.448 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(Br)s1)O2 587411192 RQUPINWCWOKVPD-KRWDZBQOSA-N 410.289 4.127 0 1 HIAF Cc1cc(C)cc(-n2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)c1 587761291 AIMIGUTUYHAVIE-XCLFUZPHSA-N 415.310 4.409 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cc3ccccc3o2)(C(=O)O)N1 587830898 GRCNGYYTLVNYMQ-YBTHPKLGSA-N 418.262 4.391 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cnn(C)c3)s2)N1 587853432 MXAVGPQOEJLIGJ-JDNHERCYSA-N 407.312 4.069 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)c(C(F)(F)F)c1Cl 587870968 MQFMZNQJEUFVRQ-UHFFFAOYSA-N 416.762 4.182 0 1 HIAF Cc1cc(OC[C@H]2[C@@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl 653717004 GZTLLBIEEIZFFD-GPYXMWEOSA-N 423.918 4.099 0 1 HIAF CC(=O)c1ccc2cccc([C@@]3(C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2n1 962775186 ZIEPGAQDPQAHQA-UGKGYDQZSA-N 412.411 4.347 0 1 HIAF CCOC(=O)CCC[C@]1(CC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963205668 XGVHZXPUUNFWKH-YJBOKZPZSA-N 421.843 4.296 0 1 HIAF COc1ccc(NC(=S)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 1195692565 COJYMIXBYDEOLR-UHFFFAOYSA-N 412.946 4.416 0 1 HIAF CN(C)CCNC(=O)c1ccc(-c2cn3c(-c4cccc(Cl)c4)cnc3cn2)cc1 1857594902 FUSFCCFPPAXLOG-UHFFFAOYSA-N 419.916 4.008 0 1 HIAF COc1cc(-c2cc(=NCc3cccc(C(F)(F)F)c3)[nH]cn2)cc(OC)c1OC 1857596489 OUMQOBSPGBLUCY-UHFFFAOYSA-N 419.403 4.222 0 1 HIAF O=C1/C(=C/c2cccn2Cc2ccccc2)CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 1857645777 NCKMMDZVBGBNLH-YYWKSBGNSA-N 415.581 4.415 0 1 HIAF C=CC(C)=CC[C@]1(C)[C@H](C)CC[C@]23C(=C[C@H](O)C[C@@H]21)[C@H](OC(C)=O)O[C@H]3OC(C)=O 2356582185 CLMGAZWYZXAAJO-DJPWKNPDSA-N 418.530 4.047 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccsc1 774124 DMMQPRVBFBCFLD-GUYCJALGSA-N 400.500 4.216 0 1 HIAF COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(OC(C)C)cc3)oc2c1OC 1730692 RTUSIIWBOUVOLS-UHFFFAOYSA-N 400.427 4.282 0 1 HIAF C[C@@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1 1863284 MMOJOYYBEUMETD-ADLMAVQZSA-N 411.310 4.066 0 1 HIAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)cc1OC 4296346 GSWSEPRDKHHWIK-TZIWHRDSSA-N 416.905 4.365 0 1 HIAF C[C@@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)C[C@@H](C)N1C 13758895 VTARULBYXIJDCV-IAGOWNOFSA-N 419.504 4.143 0 1 HIAF COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(OC)c1 25975561 IPFAQBQEPAFDSA-UHFFFAOYSA-N 424.534 4.412 0 1 HIAF O=C(O)CCCCCNC(=O)COc1c(-c2cc3ccccc3[nH]2)[nH]c2ccccc12 27649975 FFMZJNGMWUCOCF-UHFFFAOYSA-N 419.481 4.456 0 1 HIAF N=c1sc(-c2cc(CN)ccn2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 29467625 OULDWQJDBWVCGY-UHFFFAOYSA-N 420.247 4.260 0 1 HIAF N=C1S/C(=C\c2c[nH]nc2-c2ccc(N3CCCC3)cc2)C(=O)N1c1nccs1 40918442 MQPIHDDOIRPZIN-SKCGTWTRSA-N 422.539 4.189 0 1 HIAF CC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccccc2)[nH]1 42887474 WVIVOVMCXKDQPW-NRFANRHFSA-N 410.562 4.115 0 1 HIAF O=S(=O)(Nc1cc(-c2ccc3ncncc3c2)cnc1Cl)c1ccc(F)cc1 73158991 FDCNRCBAXUDBRG-UHFFFAOYSA-N 414.849 4.285 0 1 HIAF Cc1ccc(-n2ncc3c2C(C)(C)CCN([C@@H]2[C@H]4CC5C[C@@H]2C[C@](O)(C5)C4)C3=O)cc1 101668439 PIPBSWYQEPJYPD-YEURKVJNSA-N 419.569 4.244 0 1 HIAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F 103250763 RIPQLOCNIOPCFT-IBGZPJMESA-N 411.399 4.309 0 1 HIAF CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(I)c(Cl)c1)N2 253637430 IPBBJWDRJMAEIL-WYURAEBNSA-N 403.691 4.148 0 1 HIAF CC(C)(SCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)O 586959704 PMJFDGSBFWHJQO-UHFFFAOYSA-N 413.215 4.320 0 1 HIAF O=c1c(-c2nc3nc(Cl)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 587006462 KSQFCHLSFDSAKO-UHFFFAOYSA-N 415.678 4.251 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c1 587014323 PXGKXIMWOBAVGD-UHFFFAOYSA-N 422.894 4.151 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccccc1Br)CC2=O 587457237 WVGQHJZYQOLPRO-IBGZPJMESA-N 405.244 4.053 0 1 HIAF Cc1cc(C(F)(F)F)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587655280 ALVMAAORBVRCRO-UHFFFAOYSA-N 418.325 4.448 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(F)cc(Cl)cc12 587738166 KQXBIFXFRMBASX-BWKAKNAASA-N 413.649 4.111 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCN(C)N=O)(c2cccnc2)N1 587757351 UPNBKDLQKVBMKE-ORAYPTAESA-N 421.314 4.154 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccncn2)(c2ccccc2)N1 587776434 CNOHJNWZPAMGQX-SPLOXXLWSA-N 412.306 4.399 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792233 BCZRNTRRHGVXEF-FKIZINRSSA-N 422.294 4.025 0 1 HIAF C[C@]1(c2cc(Br)ncc2O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962714498 OYHQBXVZQFLQAD-CWTRNNRKSA-N 423.351 4.316 0 1 HIAF CCOC(=O)C(F)(F)c1ccc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)n1C 963114121 WUNMIYPENUNQBX-SFHVURJKSA-N 417.283 4.396 0 1 HIAF CCCN1C=C(C(=O)O)[C@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2cc(F)ccc21 963115183 USQGXACZFGVGOA-UUOWRZLLSA-N 410.464 4.427 0 1 HIAF COc1ccn2ccnc2c1N1CCCN(Cc2csc(-c3ccccc3)n2)CC1 1772581918 CNRBXOFDXDTGLD-UHFFFAOYSA-N 419.554 4.179 0 1 HIAF Cc1ccc(-c2cc3c(=N[C@@H](CC4CCC4)P(=O)(O)O)nc[nH]c3s2)cc1 1772643113 AEOZNSOWXBNICL-QGZVFWFLSA-N 403.444 4.195 0 1 HIAF Cc1cc(-c2ccc3c(ccc4cc(C(=O)N[C@H]5CN6CCC5CC6)cn43)c2)ccn1 1857560589 VBVQDXPHCOKULE-DEOSSOPVSA-N 410.521 4.287 0 1 HIAF CC(C)(C)c1coc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1 1857655489 JHURPJUJPGHVIU-UHFFFAOYSA-N 402.516 4.065 0 1 HIAF CC(=CC=C1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@](C)(CO)[C@H]2[C@@H](O)C[C@@]1(C)O 2356409857 UQABFAYKAMYBGT-ODEUANHOSA-N 418.574 4.037 0 1 HIAF CC(=O)N1c2ccccc2N=C(c2ccc(C(F)(F)F)cc2)[C@@H]1C(=O)NC(C)C 103119739 PVFFWKBOPSZFEH-LJQANCHMSA-N 403.404 4.086 0 3 HIAF COc1cccc(-c2cnc3c(NC=O)cc(-c4ccc(OC)c(OC)c4)cn23)c1 205227438 NZTBIZNNXYVXCR-UHFFFAOYSA-N 403.438 4.262 0 3 HIAF O=S(=O)(c1ccccc1)[C@H]1C[C@H]2O[C@@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 13675734 ONZSWOKBHMLNCW-DPLHUUCSSA-N 420.486 4.022 0 1 HIAF C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H]([C@@H](OC(=O)C(C)C)CC[C@H]1C)[C@@H]2OC(=O)CC(C)C 14407426 GCXCMYAMTCXPDI-SPVITWBVSA-N 420.546 4.068 0 1 HIAF biogenic CCN(CC)C(=O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12 14974714 YROUADHZQZZZOP-UHFFFAOYSA-N 404.495 4.196 0 1 HIAF COC(=O)CCCC=C(c1ccc(OC)cc1OC)c1ccc(OC)cc1OC 26846372 SXTJKCHWIZYPSB-UHFFFAOYSA-N 400.471 4.496 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(O)cc1 26955332 HMUJTAJHDZMXNI-GSVKBTKASA-N 408.542 4.244 0 1 HIAF CCOc1c(Cl)cc(Cl)cc1CNCCCNc1nc2ccccc2c(=O)[nH]1 28367732 PAEABCHPEVTPCG-UHFFFAOYSA-N 421.328 4.220 0 1 HIAF C[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1Cl 38359586 ZKYYQUBPGDYWFP-CQSZACIVSA-N 422.978 4.429 0 1 HIAF O=c1c2ccccc2nc2n1CC[C@@H]2Cc1ccc(OCCCN2CCCCC2)cc1 40394600 CMEVQXVSXFVNFH-OAQYLSRUSA-N 417.553 4.381 0 1 HIAF O=C(N[C@H](Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O)c1ccccc1 40576950 BJNBRIYDFKMEDI-HSZRJFAPSA-N 414.461 4.173 0 1 HIAF COc1ccccc1-n1nc(-c2ccc(C(N)=O)cc2)cc1-c1ccc2c(c1)OCO2 43080559 BPNZRQXBZOKLPD-UHFFFAOYSA-N 413.433 4.043 0 1 HIAF CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CCCc3ccccc3)CC2)O1 72114452 OVUNMFUBVWFDGZ-RUZDIDTESA-N 417.553 4.341 0 1 HIAF O=C(Nc1ccc(Oc2ccccc2)cc1)C1=C(O)C[C@H](Cc2ccccc2)NC1=O 100076075 CSUNYHHUCBSUKR-IBGZPJMESA-N 414.461 4.361 0 1 HIAF C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@](O)(C3CC3)CC2)cc1)C(F)(F)F 101176322 SWXZIRVTPISJMP-SESVDKBCSA-N 411.464 4.145 0 1 HIAF Fc1cncc(CNc2cccc(-c3cc(NC4CCNCC4)ncc3Cl)n2)c1 169703668 SIWXGYPJSJONQU-UHFFFAOYSA-N 412.900 4.107 0 1 HIAF CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@@]35CC[C@]12C 255222845 KLLPYPVHEZFPAN-WZAGDBLLSA-N 415.618 4.254 0 1 HIAF CN(Cc1nc2ccccc2n1CC[C@@H]1CCCCN1)[C@H]1CCCc2cccnc21 299811513 CEZDJMFFDIZREC-REWPJTCUSA-N 403.574 4.473 0 1 HIAF NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3)nc12 474609610 RDJCULJUVAESMA-UHFFFAOYSA-N 410.477 4.232 0 1 HIAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586946143 HCUAVMKNKHSLQT-UHFFFAOYSA-N 407.495 4.049 0 1 HIAF COc1cc(Br)cc(C=O)c1OCc1nc2cnc3ccccc3c2[nH]1 586979777 AXIRTZZRRFCIKV-UHFFFAOYSA-N 412.243 4.274 0 1 HIAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccnc(N)c4[nH]3)cs2)cc1 587014719 XOKNEGFFZWFZEN-UHFFFAOYSA-N 422.514 4.601 0 1 HIAF COc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 587158392 XJUMOPFPHBDNPH-UHFFFAOYSA-N 417.238 4.308 0 1 HIAF C[C@]1(c2ccccc2-n2ccnn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344281 XFFQRXBLJMZINF-LADGPHEKSA-N 415.424 4.386 0 1 HIAF Cc1ccc2c(c1C)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352821 YBZBRQQXPKXYCS-YKSBVNFPSA-N 403.409 4.355 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(Br)[nH]1)O2 587373462 QUKZTNWVFLAKGA-LBPRGKRZSA-N 400.070 4.137 0 1 HIAF Nc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540810 REFHKTKCULQPKX-FXAWDEMLSA-N 412.239 4.440 0 1 HIAF COc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573093 ROTQDRGFQXYNHR-FRLQODLRSA-N 417.461 4.333 0 1 HIAF C[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 587759566 GKQGWOOTVWPLJC-UFYHVXEKSA-N 413.331 4.347 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Cn2cccn2)N1 587760705 QAOYEQFOTYGNNZ-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(COc3ccccc3OCC)nc2c1 587779849 GUUOHPZPCFFSHQ-UHFFFAOYSA-N 419.275 4.480 0 1 HIAF COc1cccc(OCc2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2)c1 587782265 QXTZDIOCDTUVNR-UHFFFAOYSA-N 401.422 4.148 0 1 HIAF C[C@H](O)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587801414 GAZJXRVPMXCXKO-XAAFQQQXSA-N 403.295 4.228 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cnn(C)c3)s2)N1 587853433 MXAVGPQOEJLIGJ-XXFAHNHDSA-N 407.312 4.069 0 1 HIAF CCOC(=O)c1cccc([C@]2(C(C)(C)CC)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962900566 RNKPQTPNNRGXRK-CYFREDJKSA-N 413.489 4.281 0 1 HIAF C[C@@H](N)C[C@]1(c2cccs2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951502 FCXGUQZFYGFMNH-VLIAUNLRSA-N 410.505 4.399 0 1 HIAF Oc1ccc(I)c([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)c1 963101362 RFVFIOGDVCCVMI-KZULUSFZSA-N 409.242 4.246 0 1 HIAF CCc1nn(Cc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c(CC)c1CC(=O)O 1772630951 OTTSPODXLUGWTC-UHFFFAOYSA-N 406.461 4.366 0 1 HIAF CCOC(=O)Cc1cccc(C(=O)c2ccc(Cl)cc2)c1NC(=O)C(F)(F)F 26387772 SRAJWGCQKZAGMW-UHFFFAOYSA-N 413.779 4.177 0 1 HIAF CCOC(=O)c1cnc2nc(SCc3ccccc3)nn2c1NCc1ccccc1 27425351 PXBGRLKQSPLMQQ-UHFFFAOYSA-N 419.510 4.205 0 1 HIAF Brc1cc2c(cc1Br)O[C@@H](COc1ccccc1)CO2 28714404 PXZULONSFVBWOW-NSHDSACASA-N 400.066 4.430 0 1 HIAF Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)N1CCCCCC1 29038067 KYFRIZCSHPMESO-TZIWHRDSSA-N 418.603 4.212 0 1 HIAF CSc1ccccc1NC(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1 34836592 MRFZXSHNPBBBPR-UHFFFAOYSA-N 411.556 4.281 0 1 HIAF COc1cc2nc(Cl)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC 36382099 GRIJBVLEXKWQDT-UHFFFAOYSA-N 412.921 4.377 0 1 HIAF CN1CCC[C@H](Cn2c(CN(C)[C@@H]3CCCc4cccnc43)nc3ccccc32)C1 38239185 VETGEHMWKIZMPG-WMZHIEFXSA-N 403.574 4.283 0 1 HIAF CC1=CC(=O)O/C1=C\C=C(/C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)[C@H](O)O[C@@H](C[C@@]1(C)O)[C@H]23 40957730 CHBIIBKSFYKBAE-WJBPOIJRSA-N 416.558 4.401 0 1 HIAF OC1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1 58569449 OUTRLMLUGPKALY-UHFFFAOYSA-N 403.530 4.398 0 1 HIAF Clc1cccc(N2CCN(CCCOc3ccc4cn[nH]c4c3)CC2)c1Cl 95553616 WOXYKTMEOIXZAQ-UHFFFAOYSA-N 405.329 4.461 0 1 HIAF CCOC(=O)[C@@H](C)Oc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 95562454 VYWFRZNCMDHEPU-GFCCVEGCSA-N 412.269 4.341 0 1 HIAF S=c1oc(-c2ccc3c(c2)OCCO3)nn1CNc1ccccc1Br 96935197 MXOCIEYGCSVOHH-UHFFFAOYSA-N 420.288 4.476 0 1 HIAF c1ccc(-c2csc3ncnc(N4CCC[C@H](OCCN5CCCC5)C4)c23)cc1 146441047 STPSLISAVQWZDS-IBGZPJMESA-N 408.571 4.440 0 1 HIAF Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3NCC3CCNCC3)cc12 205266768 AFDQNIGCDMCAHS-UHFFFAOYSA-N 402.477 4.238 0 1 HIAF Cc1cncc(C(=O)Nc2cccc(CN3CCC[C@@H](C(=O)NC(C)(C)C)CC3)c2)c1 210578170 WGDZZEMXCRVIRP-HXUWFJFHSA-N 422.573 4.159 0 1 HIAF CC(C)=Cc1cc(-c2coc3cc4c(c(O)c3c2=O)C[C@@H](C(C)(C)O)O4)ccc1O 238742822 FDUNCNVQGNIJMX-FQEVSTJZSA-N 408.450 4.369 0 1 HIAF CC1(C)Oc2ncnc(N)c2N=C1c1ccc([C@H]2CC[C@H](CCC(=O)O)CC2)cc1 261184466 WYFNDORAPCUTHH-SHTZXODSSA-N 408.502 4.489 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)cnc2[nH]1 586936347 LWEJTRMFHWOYEQ-AWEZNQCLSA-N 424.979 4.001 0 1 HIAF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cccc(F)c3[nH]2)ccc1Cl 586963749 OKEVVBCOWMWFNZ-UHFFFAOYSA-N 415.881 4.487 0 1 HIAF COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)cc(F)c3[nH]2)cc1OC 586977225 ZRZHXUVSDWALHZ-CQSZACIVSA-N 414.662 4.183 0 1 HIAF COc1cc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2cc1Cl 586984736 PBAOAVVMRPBCME-INIZCTEOSA-N 422.710 4.407 0 1 HIAF CC(C)Oc1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 587019962 UXQJQMSCKVDFIU-UHFFFAOYSA-N 408.483 4.355 0 1 HIAF O=c1c(-c2nc3cncc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172125 WJZSAFFICNMFJN-UHFFFAOYSA-N 417.213 4.315 0 1 HIAF O=C(NCCc1nc2cc(Cl)cc(Br)c2[nH]1)OCc1ccccc1 587228022 DPTAXBFNADQTDK-UHFFFAOYSA-N 408.683 4.448 0 1 HIAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1F 587239688 NGOVCPIVLZFIBD-XUTBRHNUSA-N 419.497 4.266 0 1 HIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2c(Br)ccnc2[nH]1 587258323 GYRPFHRSUAOBFJ-INIZCTEOSA-N 424.302 4.292 0 1 HIAF CC(C)(C)OC(=O)NC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587337192 OSCHPRHXYZRZGT-HVWVKJRRSA-N 413.445 4.316 0 1 HIAF CCOCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587378627 WJIDJVVDYGMMFY-IBGZPJMESA-N 420.303 4.462 0 1 HIAF COc1ccc(-c2nc3ncccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587394720 ZKHBBJNJXKALEJ-IBGZPJMESA-N 400.438 4.002 0 1 HIAF COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCc2cccnc2)c1 587436130 LYJVVNFRXWMPMI-NTKDMRAZSA-N 403.434 4.167 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(=O)c3ccn(CC)n3)c1)CC2=O 587474690 GRSZYLILWFBIST-JOCHJYFZSA-N 420.465 4.487 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ncccn2)N1 587734583 OCOVWSHZQQAIJI-ODXCJYRJSA-N 416.269 4.343 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCN(C)C)cc2)N1 587739004 FMDJHFNTMBLJTQ-RBZFPXEDSA-N 407.327 4.152 0 1 HIAF C=CN1CCCC[C@H]([C@@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587769130 XDLXDNSBYBPLDA-UYTHQXMGSA-N 421.354 4.500 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2C(=O)CC(C)(C)CC2=O)N1 587824511 XFACYLYBLZHADA-YBTHPKLGSA-N 410.327 4.302 0 1 HIAF Nc1nccn2c(-c3cccc(NC(=O)Nc4ccc(Br)cc4)c3)cnc12 653703924 GDHXAUAGLYPZAC-UHFFFAOYSA-N 423.274 4.385 0 1 HIAF CCN1C(=O)c2ccccc2N[C@H]1c1nc(C(=O)OC)cc2c1[nH]c1ccccc12 653778080 SZUBGMXFTITBGA-OAQYLSRUSA-N 400.438 4.089 0 1 HIAF O=C(O)CN1C=C[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(F)ccc21 962659342 FVSAZIKKHPZPDG-RUZDIDTESA-N 400.453 4.300 0 1 HIAF COc1ccc([C@@]2(c3ncco3)NCCc3c(Cl)cc(Cl)cc32)c(OC)c1 963115178 ZUUKLNKSUAOVTC-HXUWFJFHSA-N 405.281 4.436 0 1 HIAF CN1CCc2c(Br)cccc2[C@]1(c1ccc(F)cc1)[C@H]1CCCNC1 963290960 ZCYHSZNODRABEI-KKSFZXQISA-N 403.339 4.319 0 1 HIAF COc1ccc(Cl)cc1Nc1nc(C)c([C@]2(C)c3c(cnn3C)CCN2C)s1 963955710 RTMXVEUELNYVDZ-FQEVSTJZSA-N 417.966 4.342 0 1 HIAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CCCOc1ccc(S(C)(=O)=O)cc1 1857641600 MLPLVFMYUCSMQP-KRWDZBQOSA-N 423.575 4.286 0 1 HIAF Cn1cc(-c2ccc(Cn3cc(C(=O)Nc4ccccc4O)c4ncccc43)cc2)cn1 1857642101 ZLTVJHHGTNRXEG-UHFFFAOYSA-N 423.476 4.443 0 1 HIAF Cc1cc(Nc2ccc(F)cc2)nc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1 1857750520 IJYYYBVIWKFDIQ-UHFFFAOYSA-N 423.467 4.206 0 1 HIAF CNc1nc2cnc(-c3cc(OC)c(OC)c(OC)c3)cc2n1Cc1ccccc1 82078583 XILBKWNQBSYXTD-UHFFFAOYSA-N 404.470 4.214 0 3 HIAF O=C(c1ccccc1C(F)(F)F)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 206055385 VFBCBKJJLHPNNE-IAQYHMDHSA-N 412.770 4.373 0 3 HIAF CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 3985671 KYYKFSMOYWOWFU-YKSBVNFPSA-N 420.544 4.247 0 1 HIAF NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1 26497345 ILKQRUVBTOCMJS-DEOSSOPVSA-N 419.500 4.199 0 1 HIAF COc1c(O)c(-c2cc(C(F)(F)F)nnc2C(F)(F)F)cc2ccc(=O)oc12 29131746 CLJSLKMPEQMYKZ-UHFFFAOYSA-N 406.238 4.002 0 1 HIAF O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 35848697 SWAPELXGNLSFEZ-RBUKOAKNSA-N 416.319 4.098 0 1 HIAF CC(C)CNP(=O)(NCC(C)C)c1ccc(-c2nc(N)sc2CC(C)C)o1 40379720 VWXUIVPIDUCVIY-UHFFFAOYSA-N 412.540 4.493 0 1 HIAF C[C@H]([C@@H]1C[C@@H]1C(=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 44156903 SPBCVLSZAPVLJN-DBECGCCJSA-N 404.591 4.334 0 1 HIAF CC(C)(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@@H]1CCCO1 82179744 WYDHPIQKFQLECR-SFHVURJKSA-N 411.525 4.388 0 1 HIAF Cc1nn(-c2ccc(Cl)cn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565437 XHMWEZRDHZERJM-UHFFFAOYSA-N 407.276 4.189 0 1 HIAF CN1C(=O)[C@]2(CC(C)(C)Sc3ccc(-c4cc(F)cc(Cl)c4)cc32)N=C1N 95601159 GXJIAAQHNJAEQT-HXUWFJFHSA-N 403.910 4.403 0 1 HIAF CCOC(=O)C1=C(NC(=O)Nc2ccccc2OC)Nc2ccccc2N=C1CC 101666042 HOENREFYEDFVHS-UHFFFAOYSA-N 408.458 4.200 0 1 HIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cc(F)c(F)cc2F)n1 144806695 JWHZIZHOJQOKRT-GOSISDBHSA-N 417.387 4.287 0 1 HIAF CC1(C)OC(=O)N(c2ccc(-n3c(=O)[nH]c4ccccc43)nc2)[C@H]1c1ccccc1 147428953 LERCGOUHQWVHRO-FQEVSTJZSA-N 400.438 4.190 0 1 HIAF Cc1ccc2ncc(S(=O)(=O)c3cccc(C#N)c3)c(N3CCC(C)CC3)c2c1 201535238 BXGXEKSWCMRRCY-UHFFFAOYSA-N 405.523 4.484 0 1 HIAF Clc1ccc(-c2nc3ccc(Br)cn3c2CN2CCOCC2)cc1 219228032 JHOVSSICWBDQFG-UHFFFAOYSA-N 406.711 4.249 0 1 HIAF COc1ccc([C@@H]2C[C@@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@@H]3CCCCN32)cc1O 238775973 SYMZKAVNWGDBHC-MWHMXGEKSA-N 423.509 4.421 0 1 HIAF CCN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 299875464 CZLSVMXLHBIJOW-DPDLHNOKSA-N 417.557 4.272 0 1 HIAF CCOc1cc(/C=C/c2nc3cccc(C(N)=O)c3[nH]2)cc(Br)c1OC 586976932 CWKQKSFIGXHDOH-BQYQJAHWSA-N 416.275 4.002 0 1 HIAF OCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587091195 HHZXWITVUJBUFO-UHFFFAOYSA-N 405.298 4.120 0 1 HIAF CCOc1ccccc1[C@](N)(c1nc2cc(C(F)(F)F)ncc2[nH]1)C(F)(F)F 587091562 FXEFUQDCWFUPBC-HNNXBMFYSA-N 404.314 4.140 0 1 HIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587095160 YOTAXIUGEVWDRC-YFKPBYRVSA-N 418.135 4.474 0 1 HIAF Cc1cc(-c2nc3c(F)c(F)c(F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124198 JJTXWLMEVNEGQB-UHFFFAOYSA-N 409.311 4.217 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(CCO)cc4[nH]3)cc2F)c1 587143292 ADGAMQUVLCZMDT-UHFFFAOYSA-N 406.413 4.278 0 1 HIAF CCOC(=O)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335550 OEDPDQRZSGVVPW-XUZZJYLKSA-N 424.399 4.488 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ncc1Br)O2 587373611 RTDCYASHOLZNSU-CYBMUJFWSA-N 412.081 4.204 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(Br)cc4)c1)[C@@H](C2)C3=O 587420438 WRBSYUKKKULVGW-JXFKEZNVSA-N 411.255 4.132 0 1 HIAF COc1cc2c3c(c1)O[C@@](C(=O)N[C@H](C)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587433776 WJVZTQMFTRDBKB-LVARUYSCSA-N 413.473 4.216 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cc(OC)ccc1OC)CC2=O 587472179 YMEPCRJREJKXCZ-QHCPKHFHSA-N 413.470 4.115 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(C)c(C)c1)CC2=O 587485957 XQCWAZBMNMZRTN-RUZDIDTESA-N 424.493 4.345 0 1 HIAF CN(C)CCOc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587569119 FELBNCQCJOQFAU-DHLKQENFSA-N 419.477 4.210 0 1 HIAF Nc1ccc([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577436 KIVIALXUOSLQNB-DHLKQENFSA-N 410.429 4.275 0 1 HIAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(C)=O 587593347 LQLSCGLKXOGYPN-XXBNENTESA-N 406.390 4.029 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc2c(c1)OCCO2 587611495 RZQSCFFTOUQULU-UGKGYDQZSA-N 404.418 4.126 0 1 HIAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)s1 587648930 JSYXBOBEQFJYNP-UHFFFAOYSA-N 401.431 4.445 0 1 HIAF COC(=O)[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587698841 JVNBGVUACPXUNX-YPMLDQLKSA-N 412.686 4.192 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)nc2/C=C/N(C)C)N1 587756135 QBDSHCFOIDYFLN-LIRVVVLZSA-N 420.326 4.019 0 1 HIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc(N2CCCCC2)n1 587764284 CYTWALGZMYMRNU-CWTRNNRKSA-N 419.342 4.301 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(c2cccnc2)N1 587770972 LJQSEOJCHKPOCR-QKKBWIMNSA-N 412.306 4.399 0 1 HIAF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)OC 587801645 MYAKXFZQDDVVIX-JEOXALJRSA-N 422.294 4.397 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(C(=O)O)ccc32)N1 587827069 NEEPSAFSXZYEHX-GIPWTMENSA-N 404.279 4.401 0 1 HIAF Cc1cccc2c1OC(C(=O)O)=C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587843566 SOYHEWZABFXLSQ-PRWKNARSSA-N 418.262 4.035 0 1 HIAF COc1ccc(CCCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(OC)c1 587929207 SEQPHULOAXCPGB-UHFFFAOYSA-N 419.275 4.216 0 1 HIAF O=C(O)CCc1ccc(-c2cccs2)n1-c1nc(N2CCCCC2)ncc1F 587945354 NIZSXGRMMMYTDI-UHFFFAOYSA-N 400.479 4.142 0 1 HIAF COc1c(Br)ccc([C@@H]2NCCc3cc4cccc(OC)c4nc32)c1F 963066975 MHDKETKOZITAAG-IBGZPJMESA-N 417.278 4.389 0 1 HIAF CCCC[C@@]1(CCCCCC(=O)OCC)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963554216 TZSREPALQCICCE-MBSDFSHPSA-N 405.535 4.199 0 1 HIAF O=C(COc1ccc2ccccc2c1)NS(=O)(=O)c1cccc(-c2ccccc2)c1 1857567173 NVWKEILPWQUJNG-UHFFFAOYSA-N 417.486 4.391 0 1 HIAF Cc1c(C(=O)N2CCCC2)sc2[nH]cnc(=Nc3ccc(F)cc3OC(C)C)c12 1857571524 SOHNRQRELLTSIH-UHFFFAOYSA-N 414.506 4.328 0 1 HIAF Cc1ccc2c(c1)N(CC(=O)NC[C@H](C)c1ccccc1)C(=O)c1cccnc1O2 6878060 MYHJDCZJDHPIAD-KRWDZBQOSA-N 401.466 4.062 0 3 HIAF CC(=O)N1CCc2c(sc(N(C)C(=O)C(C)C)c2C(=O)c2ccccc2Cl)C1 13442686 HHUKZHPKYYMNBB-UHFFFAOYSA-N 418.946 4.156 0 1 HIAF CN1[C@@H](C(=O)NCc2ccccc2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 13660689 QRAQLPHQVSZGDI-UPRAQXHNSA-N 415.324 4.035 0 1 HIAF COc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12 13862867 JBWREVQKLWMQCO-CQSZACIVSA-N 417.347 4.358 0 1 HIAF O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(Cc2ccc(-c3ccccn3)cc2)C1 15674660 PDEIKFLPDSKCMQ-GGAORHGYSA-N 412.493 4.030 0 1 HIAF biogenic O=c1nc(SCc2cccc(Cl)c2)n(Cc2ccco2)cc1Cc1cncnc1 26575822 CJRZBWPYPGFINX-UHFFFAOYSA-N 424.913 4.211 0 1 HIAF C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1c1nc2ccccc2[nH]1)OCO3 29566362 NRNVEMFMGNLCFF-CQSZACIVSA-N 411.465 4.077 0 1 HIAF CCCOc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)N1CCC(C(=O)O)CC1)CC2 33622336 IPFUINKNWRNDQA-VQIMIIECSA-N 401.547 4.156 0 1 HIAF biogenic COCCN(C(=O)c1cc(C)nn1C)[C@H]1c2ccccc2CC[C@@H]1c1ccsc1 40862814 YYWXHWBVIVERGF-IRLDBZIGSA-N 409.555 4.350 0 1 HIAF CCN(CC)CCCOc1ccc(C[C@H]2CCn3c2nc2ccccc2c3=O)cc1 40892359 JFLLGMOAKXBLQP-HXUWFJFHSA-N 405.542 4.237 0 1 HIAF COc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1 45298520 KEGOYMJCBYDQGI-UHFFFAOYSA-N 409.559 4.217 0 1 HIAF CN(C)C(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1 49116177 AAZAJVOLEKFYBH-UHFFFAOYSA-N 410.909 4.048 0 1 HIAF COCCn1c(-c2ccc(OC)cc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181070 XIYDAEZRPKBIIB-UHFFFAOYSA-N 423.904 4.414 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCC 82213549 KOLIQFZTUMHGMH-WUMAUGGESA-N 414.590 4.353 0 1 HIAF CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccccc1)c1ccccc1)C(=O)N2 103298322 DSRISRHCDDTNLC-DQRAZIAOSA-N 419.506 4.381 0 1 HIAF COc1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1 113390003 QCRDKNSKMJDRKP-UHFFFAOYSA-N 411.469 4.111 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(OCC(C)C)ncc3F)C2)cc1 169709292 UFOGDGSZDWBCRK-OXJNMPFZSA-N 415.509 4.110 0 1 HIAF Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)c(-c2ncccn2)c1 226057872 AWFBWQSVKFITPK-MDKPJZGXSA-N 418.472 4.058 0 1 HIAF CC[C@@H]1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1ccc(O)c(OC)c1)N[C@H]2c1ccc(O)c(OC)c1 299814779 DJQKXCZAWGHYAP-WRMCEMSDSA-N 411.498 4.122 0 1 HIAF CC(C)[C@@]1(C)CC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)OC1=O 473244982 RMMNMSJCEISPQL-GQUJEBGOSA-N 413.558 4.201 0 1 HIAF Fc1cc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2cc1Br 586966978 OGURVZUOLJQRAH-UHFFFAOYSA-N 406.240 4.202 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(C(C)(C)Nc3ccc(OC)cc3)nc2c1 587201602 UHPZTICKFYCPCH-UHFFFAOYSA-N 418.291 4.468 0 1 HIAF C[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349935 QVXIMVMWFBQLJE-ISKFKSNPSA-N 419.408 4.137 0 1 HIAF CCOC(=O)[C@H](C(C)C)[C@@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439929 DULIDMGFNZPFLR-WPWBMXPQSA-N 408.494 4.259 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(OC)c(OC)c1)CC2=O 587470582 UAURLFACKZWJGA-JHUUHBRDSA-N 411.498 4.298 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCN(C(=O)OCc3ccccc3)C1)CC2=O 587474163 CRCDUZMTAPAPOK-VGOFRKELSA-N 409.482 4.337 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](N3C(=O)c4ccccc4C3=O)C1)CC2=O 587482021 YTPHOPVOBAWRFV-BZQUYTCOSA-N 419.477 4.288 0 1 HIAF COc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573095 ROTQDRGFQXYNHR-IFPOBUGQSA-N 417.461 4.333 0 1 HIAF O=C(O)C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587605113 XKYSCFPGSZDWLC-PNPIFTBSSA-N 402.402 4.211 0 1 HIAF CSc1ncc2c(n1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612098 IVGJGUZUXVSHSU-XMSQKQJNSA-N 406.463 4.098 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O[C@H](C)C(=O)O)c2)N1 587797381 WOANATGXRFZMER-PJYBLOJUSA-N 408.267 4.064 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)s2)([C@@H](C)O)N1 587848902 PTMFNUSWRTZEQM-ABFUHYCJSA-N 404.732 4.462 0 1 HIAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc(Cl)c1OC(C)=O 962638333 PMABKZOKROUGTQ-MPBGBICISA-N 419.905 4.257 0 1 HIAF CCOc1ccc2[nH]cc([C@@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)c2c1 962662574 ILLOCMVWOCCUCF-DHLKQENFSA-N 415.493 4.303 0 1 HIAF C[C@@]1(CC(=O)NCc2ccc3c(c2)OCO3)NCCc2cc(-c3ccccc3)ccc21 962667027 UTQHEJHYUJGYMH-SANMLTNESA-N 414.505 4.150 0 1 HIAF O=C1C[C@]2(C[C@H](c3ccco3)[C@H]1n1cncn1)NCCc1cccc(-c3ccccc3)c12 962671074 WECSCJHRORKBQI-QGDZQMKYSA-N 424.504 4.267 0 1 HIAF O[C@H]1C[C@H]2C[C@]3(C[C@H]1N2Cc1ccccc1)c1ccsc1CCN3Cc1ccco1 962709099 MQQIUQWXSJMSRT-UUMRBEHKSA-N 420.578 4.393 0 1 HIAF CC[C@]1(c2cc(F)c(F)c(F)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962967462 NGSJGFFTSLZYTK-SCLBCKFNSA-N 405.750 4.288 0 1 HIAF COc1cccc2cc3c(nc12)[C@@](C(=O)O)(c1cc(Cl)sc1Cl)NCC3 963049840 BBFUUDMAXHPQRC-GOSISDBHSA-N 409.294 4.086 0 1 HIAF Cc1[nH]c2ccccc2c1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963134162 CWJICYCSZMZTAF-DOTOQJQBSA-N 413.499 4.269 0 1 HIAF CC(C)[C@]1(c2ccc(F)cn2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186846 LJAFPNTXRXDMIJ-SCLBCKFNSA-N 416.802 4.391 0 1 HIAF COc1cccc([C@H]2OC(=O)N(C(=O)NCCc3cccc4ccccc34)[C@H]2C)n1 1772609257 AEXGLDODKYWANA-BTYIYWSLSA-N 405.454 4.078 0 1 HIAF Clc1cc(N2CCOCC2)c2nc([C@H]3C[C@H](c4ccc5ccccc5n4)C3)cn2n1 1772639151 LKGDVKVMCBLERN-QAQDUYKDSA-N 419.916 4.429 0 1 HIAF O=C(O)C[C@@H]1COc2cc(OCCCOc3cccc(Br)c3)ccc21 1857773677 QMCXGQFVAXBZTK-CYBMUJFWSA-N 407.260 4.248 0 1 HIAF O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4205038 GWFFJEMCQTUROB-IFMALSPDSA-N 411.933 4.034 0 1 HIAF CC[C@@H]1CCC[C@H](C2(Cc3nc(C)no3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 29038579 PGCKAECGLQMGNP-SJLPKXTDSA-N 423.966 4.376 0 1 HIAF CC(C)(C(=O)N1CC[C@]1(C)C(=O)Nc1ccccc1Br)c1ccccc1 61925902 MTZBECJYQUPFDB-OAQYLSRUSA-N 415.331 4.356 0 3 HIAF CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@H]3c2cccnc2)c2ccccc21 26745945 OWHDUHNEPXQFOQ-QFIPXVFZSA-N 416.506 4.392 0 1 HIAF CC1(C)CCC[C@H](Oc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)C1 216259483 MJBZFIABUWGMIG-AWEZNQCLSA-N 409.523 4.273 0 1 HIAF O=C(Nc1cccc2cccnc12)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 73295326 WWNIBJDHXLZNCP-LPTDTENNSA-N 411.461 4.023 0 1 HIAF CCCCNC(=O)c1cc(NC(=O)CN2CCCCC2)ccc1Oc1ccccc1 84713415 HGZBVHMUFYBNLA-UHFFFAOYSA-N 409.530 4.433 0 1 HIAF COc1cc(-c2cn[nH]c2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 84617332 MBUCVFLNVMXMLL-UHFFFAOYSA-N 407.499 4.493 0 1 HIAF c1ccc(CCn2c(-c3cccnc3)nc3c(NCc4cccs4)ncnc32)nc1 82190248 PYAFYQACBBWJER-UHFFFAOYSA-N 413.510 4.200 0 1 HIAF CCCCCC/C=C\CCCCC[C@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 96094900 XIOFWXBRLXTMQD-LDFOOHBJSA-O 414.607 4.307 0 1 HIAF in-vitro O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)C1CCC1 96174033 YGKZUWPLDIPOGF-UHFFFAOYSA-N 422.492 4.470 0 1 HIAF C[C@@H]1CC(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46C[C@@H](O)[C@]3(C)[C@H]21 255271690 UMLHBLLBOOEXQG-JTUAIMKFSA-N 416.602 4.319 0 1 HIAF COc1ccc(-c2cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)co2)cc1OC 621431183 ZPHMWZQZKFUYOK-HXUWFJFHSA-N 406.482 4.093 0 1 HIAF CC(=O)c1c[nH]c2ccc(-c3ccc(O)cc3)nc2c1=N[C@H]1CC[C@H](CN(C)C)CC1 473165001 ODMIZFRCENUXHK-UAPYVXQJSA-N 418.541 4.159 0 1 HIAF COC(=O)Nc1nc2cc([S@](=O)c3c(C)[nH]c4ccc(Cl)cc34)ccc2[nH]1 299820765 DQRKCQJHGSMMCV-MHZLTWQESA-N 402.863 4.351 0 1 HIAF COc1ccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@]2(O)c2ccc(C)cc2)cc1F 653793030 YJHCCDRRMFBTFX-DEOSSOPVSA-N 422.431 4.377 0 1 HIAF CCOC(=O)[C@H](C)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575164 CZSFDKKOMVUBKW-BPSNYSSFSA-N 407.422 4.021 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(F)n1 587569446 LFVVULYRIKJKDP-MAUKXSAKSA-N 416.202 4.392 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 587780515 BQOLEQCCTNMEHM-VMPITWQZSA-N 401.260 4.342 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(C(F)(F)F)cc1 587547089 LECOSVZZFYQWAT-WIYYLYMNSA-N 416.351 4.260 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccccc3oc2=O)N1 587841670 NDCZBJRESBYJFV-GIPWTMENSA-N 402.263 4.492 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(=O)CCC(=O)O)CC2=O 587467548 ATXJUFLGKXKLKD-QHCPKHFHSA-N 411.454 4.029 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C)C(=O)O)(c1cccc(Br)c1)O2 587376711 JYGOWKVKQVWBIZ-ODXCJYRJSA-N 418.287 4.311 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)ccc1I)CC2=O 587472822 VQPGHXDNAVQTDJ-QGZVFWFLSA-N 424.234 4.361 0 1 HIAF COc1ccc(C2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444527 UCKQRMBKKHFUEY-OAQYLSRUSA-N 402.446 4.404 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Br)cc1F 587569675 SBAUILKVMDBHGJ-BEFAXECRSA-N 416.202 4.392 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(=O)Nc1ccccc1 587864788 PPYOCWPJISEIOO-UHFFFAOYSA-N 403.360 4.247 0 1 HIAF COc1cc(/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(Cl)c1OCC(C)C 587046828 MYAJNMISYKSFST-DAXSKMNVSA-N 424.892 4.406 0 1 HIAF COc1ccc(-n2ccnc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587754453 MCHGQWFIHMNSLQ-HXPMCKFVSA-N 416.294 4.406 0 1 HIAF CC[C@@]1(c2ccc(C(=O)OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595353 RIMQZMTZFXVZDJ-YKSBVNFPSA-N 404.418 4.446 0 1 HIAF O=[S@@](CCCc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 586957726 AXVCHUSJOIPAGO-QHCPKHFHSA-N 416.703 4.253 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Br)ccc1O 587869351 HVFNPWUNYFGRGR-UHFFFAOYSA-N 405.223 4.245 0 1 HIAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COC(C)=O 587807798 NOCBKIPIISCKAB-BIBXISHDSA-N 422.294 4.284 0 1 HIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(O)(C(F)(F)F)C(F)(F)F 587621708 HPSDURJWKBDRMF-UHFFFAOYSA-N 416.119 4.427 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3cccn3)c(Br)c1)O2 587375097 CECVMDUQXSSBIW-FQEVSTJZSA-N 412.287 4.406 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)sc3c2CCN(C)C3)N1 587853849 OFWGYARAHXHACD-OVWNDWIMSA-N 424.383 4.018 0 1 HIAF C[C@@]1(c2ccc(O)c(F)c2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963174382 GJSRBUMHGUNFQO-YOEHRIQHSA-N 403.759 4.066 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1c(C)nn(C(=O)OC(C)(C)C)c1C 963052288 ZZCFEMGFVPJFGX-OAQYLSRUSA-N 408.502 4.075 0 1 HIAF Cc1ccccc1[C@@]1(c2ccccn2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962667467 NYWOSLPVNRZWPN-SXOMAYOGSA-N 423.516 4.329 0 1 HIAF C[C@@H](N)C[C@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949887 DBYGKBUONKYYMM-OPAMFIHVSA-N 404.476 4.338 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccccc3)o2)c1 13611285 IXAUVBHKVRFJHO-UHFFFAOYSA-N 401.488 4.124 0 1 HIAF COc1cccc(-c2ccc(NC(=O)c3cc(C(=O)O)sc3C(=O)O)c(F)c2)c1 14960683 WXMOJFTZDIPAOK-UHFFFAOYSA-N 415.398 4.212 0 1 HIAF OCCCN1CCN([C@@H]2Cc3cc(F)ccc3Sc3ccc(Cl)cc32)CC1 19370870 JZQAYJQTMPHVAJ-LJQANCHMSA-N 406.954 4.228 0 1 HIAF CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc2c(c1)CCCN2C 169688518 YLOVZYPOHQLBAH-DHIUTWEWSA-N 408.542 4.450 0 1 HIAF CCCN(CCC/C=C\c1ccc(O)c(OC)c1)[C@H]1CCc2[nH]c(=N)sc2C1 1857543896 DCTJWNXQZKKVMP-WVRJYTFGSA-N 401.576 4.333 0 1 HIAF Cn1ncc2c(Oc3ccc4c(c3)nc(Nc3ccc(Cl)cc3)n4C)ncnc21 1857750393 ODGJFPHTOBCVRD-UHFFFAOYSA-N 405.849 4.439 0 1 HIAF COc1ccc(NC(=O)c2sc3ncnc(N4CCCCC4)c3c2C)cc1OC 2923497 KVNREDCNVVPPBU-UHFFFAOYSA-N 412.515 4.260 0 1 HIAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)[C@@H](c1ccccc1)CC2 14966598 UOYVKYJWAXJTTE-OAQYLSRUSA-N 417.557 4.401 0 1 HIAF CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2Cl)nc2nc(N)sc12 34297384 OQDFCNGDQIJPTK-GFCCVEGCSA-N 423.995 4.433 0 1 HIAF Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1 35308553 KWRXWPRFIUJQBP-UHFFFAOYSA-N 418.482 4.478 0 1 HIAF Cc1cn(Cc2cc(Br)ccc2OCc2ccccc2)nc1C(=O)O 40764102 LCKZHHQFSLZDQW-UHFFFAOYSA-N 401.260 4.280 0 1 HIAF CCNC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 66262490 VIPSEWNPWLYICF-UHFFFAOYSA-N 417.557 4.049 0 1 HIAF Cc1cc2ccccc2n1S(=O)(=O)c1ccc2c(c1)c1c(n2C)C[C@@H]2CC[C@H]1N2 96175277 LWGPDTZLECGYJQ-QFBILLFUSA-N 405.523 4.028 0 1 HIAF O=C(O)[C@@H]1CCCN(CCO/C=C\c2cc(F)ccc2Cc2ccc(F)cc2)C1 96923952 JRTSDOUKJZFNHI-FNUUXAGOSA-N 401.453 4.340 0 1 HIAF CC[C@H](C)C(=O)O[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 104449814 PCZOHLXUXFIOCF-WVGTXZNXSA-N 404.547 4.196 0 1 HIAF COCCNc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 105173349 AOUCHGVBSUVBDR-BVPXEZJJSA-N 422.573 4.311 0 1 HIAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cnc3ccccc3c2)cc1 142297247 QAAUCCWOBWBSIC-KPKJPENVSA-N 415.474 4.115 0 1 HIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586917782 UZBUPTSXIMLQLB-QGHHPUGFSA-N 410.783 4.193 0 1 HIAF O=C(O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026543 LLGFKNDZMMQUFZ-WBAXXEDZSA-N 409.511 4.398 0 1 HIAF Nc1c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)sc2cc(Br)ccc12 587030843 JCOYPRXTUSGQNW-UHFFFAOYSA-N 415.272 4.120 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587086640 BQOGCXJOZONDLX-UHFFFAOYSA-N 402.907 4.443 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334899 MWRRMYYTNJPFHR-UPVQGACJSA-N 424.399 4.488 0 1 HIAF Cc1ccc(F)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587337875 SGKPDVWBXXTZEV-AUSIDOKSSA-N 407.372 4.185 0 1 HIAF C[C@]1([C@@H]2COc3ccccc3O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360055 UCRLGAHYIXJQFL-WMTXJRDZSA-N 406.409 4.489 0 1 HIAF COC1CCN(C(=O)Nc2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)CC1 587395517 NNBGWSANQRAJHI-XMMPIXPASA-N 423.513 4.101 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(O)cc2C(=O)c2ccc(O)cc21 587476547 CTOBZLWJWXAUHX-VWLOTQADSA-N 416.429 4.209 0 1 HIAF COC(=O)C[C@]1(Cc2cc(F)c(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501368 BMARQPQNEYYXJO-QHCPKHFHSA-N 418.411 4.493 0 1 HIAF O=C(O)CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587596780 OUMSQUINSSDZIC-QPPBQGQZSA-N 420.417 4.339 0 1 HIAF CCOC(=O)[C@@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598760 VEEZKNHDRBGRAJ-OFVILXPXSA-N 418.445 4.429 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccccc3)CC2)N1 587764876 AEJNMFXLEYPROC-CQSZACIVSA-N 417.322 4.254 0 1 HIAF CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587798182 OAEBHCAHWIJUTQ-LJOBPSPCSA-N 418.306 4.101 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(N[C@H](C)Cc4ccc(F)c(Br)c41)[C@H](C3)C2 587807079 KWJWTOPHENWFAV-QSMANWJKSA-N 422.338 4.317 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@H]2OCc2ccccc2)N1 587836827 XTIGEYZUYZUPFT-IFZYUDKTSA-N 420.322 4.323 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c(C(=O)O)csc32)N1 587853691 AXWYGFSCJMXIGX-DYBLOJMWSA-N 410.308 4.462 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2N2CCSCC2)N1 587854770 GWJDYMZKBXIWAF-UPRAQXHNSA-N 413.400 4.309 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2conc2Cc2ccccc2)N1 962704137 UMKIAVGFZJPCMF-OALUTQOASA-N 420.362 4.112 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCc3c2sc2nc(C(=O)OC)cn32)N1 962941447 DXOIDZAMGMZOPK-NPMABZOXSA-N 420.538 4.168 0 1 HIAF C[C@]1(c2cc(Br)cs2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965554 LHWBEQZNEWMOCE-ZUZCIYMTSA-N 422.678 4.305 0 1 HIAF CC(C)(C)OC(=O)Nc1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963224189 BLGYNUZPCOOYJN-NHCUHLMSSA-N 419.481 4.270 0 1 HIAF Cc1ccc(-c2nc3ccccn3c2[C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963506003 DIIJLOYFXHPURC-WMZHIEFXSA-N 413.477 4.012 0 1 HIAF Cc1cc(OCCCc2c(C(=O)NCC(=O)O)[nH]c3ccccc23)cc(C)c1Cl 1772582494 PXJFLZFCYWEHHY-UHFFFAOYSA-N 414.889 4.264 0 1 HIAF Cc1csc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@](C)(F)CC3(F)F)c2)n1 1772598857 JOQPMLZUFXKUND-IAGOWNOFSA-N 414.428 4.392 0 1 HIAF CSc1ccccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)nc(=N)[nH]1 1857546798 GRCHLKSCKPFDFV-UHFFFAOYSA-N 414.538 4.275 0 1 HIAF O=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccc3ncccc3c2)n1 1857596230 BEPJHYABVDQREX-UHFFFAOYSA-N 404.451 4.458 0 1 HIAF Cn1c(=O)c(C(=O)Nc2c(F)c(F)c(-c3ccccc3)c(F)c2F)c2ccccn21 1857746277 MUTGDOHUSOREOS-UHFFFAOYSA-N 415.346 4.114 0 1 HIAF COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 36384282 MEIITBCBFWQGML-HNAYVOBHSA-N 404.457 4.170 0 3 HIAF CCNC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 95665464 BQAMLJHOSSGZJY-UHFFFAOYSA-N 416.949 4.233 0 3 HIAF COc1ccc2o/c(=N\c3cccc(C(N)=O)c3)c(-c3nc4ccccc4[nH]3)cc2c1 4574407 HLMXXLWAYWIFHC-LCUIJRPUSA-N 410.433 4.316 0 1 HIAF CC(C)Oc1cc(OCCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 28523239 AMAZCNMAZOTCER-UHFFFAOYSA-N 420.465 4.441 0 1 HIAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2ccc(CCN)cc21 28952243 FMJGCPONSIDGNO-UHFFFAOYSA-N 419.573 4.329 0 1 HIAF COc1ccc(C(=O)N[C@@H](COCC2CCN(C(C)C)CC2)c2ccccc2)cc1 28957711 RKMLEERXMXYWGL-DEOSSOPVSA-N 410.558 4.303 0 1 HIAF COc1ccc(-c2c(-c3cc(Br)c(OC)c(OC)c3)ncn2C)cc1N 64416797 DONOIWAHYJWKLA-UHFFFAOYSA-N 418.291 4.125 0 1 HIAF CNc1ncnc2c(CNc3cc(NC(=O)c4cc(C)on4)ccc3C)cccc12 64540192 SSJYSVPTMWVAEB-UHFFFAOYSA-N 402.458 4.141 0 1 HIAF CC(C)c1c(Cc2ccccc2)n(CCCCc2ccc(F)cc2)c(=O)n(O)c1=O 71329428 KEVKLJQNXVKLKD-UHFFFAOYSA-N 410.489 4.124 0 1 HIAF CCN(CC)C(=O)NC1CCN([C@H](c2ccc(OC(C)C)cc2)c2cccnc2)CC1 72103891 YRQCJMROYXAXMV-XMMPIXPASA-N 424.589 4.474 0 1 HIAF Cc1c(CN2CCOCC2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1 72176521 NYJVCBVNBLQTSD-UHFFFAOYSA-N 424.508 4.309 0 1 HIAF Cc1csc(-c2nc(CNC(=O)c3ccccc3)[nH]c2-c2ccc3c(c2)OCO3)n1 73312228 KLAASVUTUDBXOT-UHFFFAOYSA-N 418.478 4.167 0 1 HIAF COc1ccc(Oc2nc(NCCCCCO)nc(N(C)C3CCCCC3)n2)cc1 82066566 FSASUYSUJNZTEK-UHFFFAOYSA-N 415.538 4.016 0 1 HIAF COc1cccc(-c2c(-c3ccncc3)nn3c(C4C[C@H]5CC[C@H](C4)N5)ccnc23)c1 100095783 QBKVXGRJENYUEM-WOJBJXKFSA-N 411.509 4.465 0 1 HIAF CC(=O)N1[C@@H]2C=C(CN3CCC(N(C)c4nc5ccccc5s4)CC3)C[C@@H]1CCC2 101141457 UPCCYIWXWGMCSO-SFTDATJTSA-N 424.614 4.297 0 1 HIAF CC(=O)Nc1ccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)cc1 101403913 DROJFBSHUXTJHY-UHFFFAOYSA-N 406.507 4.237 0 1 HIAF Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)nc1NC(C)C 101884102 WMGVLJIGYUYNKK-WKILWMFISA-N 403.477 4.037 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1c(C)c(-c2ccc(OC)cc2)nn1C 103193698 ZVGQTDHGJDWTCU-RCCKNPSSSA-N 422.481 4.143 0 1 HIAF CC1(C)COCCN1c1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1 221711611 DAELCQFOTJBMKB-UHFFFAOYSA-N 416.485 4.168 0 1 HIAF CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cocn3)cc2)C2CC2)CC1 223643919 LBCGEGVDBGTIDE-UHFFFAOYSA-N 411.502 4.346 0 1 HIAF Cc1ccc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@@H]3C)nc1 226007281 INKOCLWAFUZTRQ-GFCCVEGCSA-N 402.285 4.037 0 1 HIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 586916295 XNBXWBHVOWBQSW-UHFFFAOYSA-N 400.316 4.092 0 1 HIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)C(C)C 586932144 BKJOZNQMQCUDPV-CYBMUJFWSA-N 422.776 4.395 0 1 HIAF O=S(=O)(NCCc1nc2cc(Cl)c(F)cc2[nH]1)c1c(Cl)cccc1Cl 586943536 ZVCPIBRZRWKUER-UHFFFAOYSA-N 422.696 4.183 0 1 HIAF Cc1c(Br)cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1C 587035478 VAPISXJPGSQWIE-UHFFFAOYSA-N 404.333 4.422 0 1 HIAF CCOC(=O)CC[C@H](C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108208 XCPXONSQRNGFCI-KRWDZBQOSA-N 417.461 4.436 0 1 HIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(C2CC2)n1 587232173 MLYZEEQPNXJHLV-UHFFFAOYSA-N 422.485 4.298 0 1 HIAF O=C(O)C[C@@H]1CCc2occc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349644 FUEWDZKYICDFJE-PINLKFFASA-N 422.408 4.416 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1cncc(Br)c1C)O2 587371711 MLIZJVPLAVGZHS-NRFANRHFSA-N 424.298 4.347 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(Cn4cc(Cl)cn4)c(C)s1)[C@@H](C2)C3=O 587449124 AYZGMISJGIQQED-YWZLYKJASA-N 400.887 4.452 0 1 HIAF COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498066 CRRYQYSMACFLCI-HSZRJFAPSA-N 412.869 4.212 0 1 HIAF COc1ccccc1-n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587582047 NLDULZBVVJJZDD-URXFXBBRSA-N 414.417 4.289 0 1 HIAF COc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(OC)c1 587655819 FWXJESGQEWFIQL-UHFFFAOYSA-N 422.387 4.047 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3cccc(F)n3)CC2)N1 587737991 JCVLZZMUECFGCU-LBPRGKRZSA-N 408.290 4.152 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3nc[nH]n3)o2)N1 587843297 IFXSMVUUNCPHJK-AYVTZFPOSA-N 409.284 4.074 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3cccs3)CC2)N1 587850749 FIYQWPQPRVLFJV-LBPRGKRZSA-N 423.351 4.315 0 1 HIAF C/C(=C\[C@]1(c2nccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587853880 OJYQGGAVMLTEMG-ITDHTTIGSA-N 410.356 4.288 0 1 HIAF COc1ccc(C(=O)[C@H]2C(=O)c3ccccc3[C@]23NCCc2ccc(F)c(C)c23)cc1 962377505 RNKRJYUCSJBDEJ-JYFHCDHNSA-N 415.464 4.227 0 1 HIAF C[C@@H]1CN(Cc2ccccn2)CC[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962696692 GRMLXFSMLNOLCS-FPGHNAPASA-N 411.590 4.322 0 1 HIAF CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@]12c1ccsc1CCN2C(N)=O 962703703 FFSPDYJVUIBVHS-ZDPZECHZSA-N 419.591 4.470 0 1 HIAF CC(C)c1nn(C)c2c1[C@@](c1ccccc1)(c1c(N)sc3c1CCSC3)NCC2 962917892 HEANVLQIVFHYFF-HSZRJFAPSA-N 424.639 4.414 0 1 HIAF CC(=O)CSCCSC[C@]1(C)c2ccsc2CCN1Cc1cccnc1 963000786 XBMDQCLFWUVHMY-HXUWFJFHSA-N 406.642 4.472 0 1 HIAF COc1cccc2cc3c(nc12)[C@]1(CCCC2(OCCO2)c2ccccc21)NCC3 963055631 KDDWAYUBBIDKSN-XMMPIXPASA-N 402.494 4.016 0 1 HIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cc(Br)c[nH]2)N1 963188924 UOMCGVNSICGFGC-OLZOCXBDSA-N 423.616 4.138 0 1 HIAF CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)cs1 1251005911 RKLOCNUJJIAZOO-UHFFFAOYSA-N 424.507 4.118 0 1 HIAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2ccc(C)cn12 1857614130 SKSKAMRYHHYBSJ-CYBMUJFWSA-N 418.419 4.442 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCc1ccccc1N 771702 AQYZSFQCRXCLCL-UNMCSNQZSA-N 421.522 4.137 0 1 HIAF C[C@H](NC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21)c1ccccc1 6878117 JWPLAJSNWQDTRN-AWEZNQCLSA-N 407.857 4.365 0 1 HIAF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1 15435942 ARFBVLPUSSXIFT-UHFFFAOYSA-N 409.511 4.432 0 1 HIAF Cc1nc(C(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc2c1[nH]c1ccccc12 15967632 QCASLWAJBCQBAX-GOEBONIOSA-N 400.482 4.020 0 1 HIAF biogenic CCCCc1cc(C(=O)O)cc(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 28252791 NKKPPXALRJNREZ-UHFFFAOYSA-N 405.450 4.303 0 1 HIAF c1nc(CC2CCN(CCCOc3ccc(CCN4CCCCC4)cc3)CC2)c[nH]1 28570809 AVRAFEWQHRBGTM-UHFFFAOYSA-N 410.606 4.162 0 1 HIAF Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)c1 35984164 AWPASOZUABXVOH-UHFFFAOYSA-N 420.645 4.500 0 1 HIAF O=C1NC(=O)/C(=C/c2ccc(OCCOc3ccc(Br)cc3)cc2)S1 103296408 WWABNYBSLCBZLI-WJDWOHSUSA-N 420.284 4.231 0 1 HIAF O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cccc(Cl)c2)cc1 115732690 KXWPZVUAGUOJMF-UHFFFAOYSA-N 415.898 4.429 0 1 HIAF Nc1ncnc2c1C(=O)N(c1ccc(-c3cc(Cl)ccc3Cl)cc1)CCO2 169324832 RTKGWVMREVEQPO-UHFFFAOYSA-N 401.253 4.072 0 1 HIAF CCCCNc1c(-c2ccc(N(C)CCO)cc2)nc2ccc(Br)cn12 169326085 UTNRGESJBIFOPU-UHFFFAOYSA-N 417.351 4.404 0 1 HIAF CC1CCC(NS(=O)(=O)Cc2nc3cccc(OCc4ccccc4)c3[nH]2)CC1 586952225 DYADMKFHRWBUGD-UHFFFAOYSA-N 413.543 4.140 0 1 HIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(F)cnc(Br)c4[nH]3)cc2N1 587125737 STCCZMBLXXNRES-XRGYYRRGSA-N 419.180 4.031 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(F)c(F)c4)[nH]c3c2)cc1 587145716 PMLDNKMQAWMXPL-UHFFFAOYSA-N 415.421 4.318 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(Cl)ncnc4[nH]3)cc2)cc1F 587147618 PWNAIXTUOOSICM-UHFFFAOYSA-N 409.852 4.153 0 1 HIAF Nc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587340121 VCOYPQAFGHXAQF-ISKFKSNPSA-N 421.424 4.233 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CC1CCN(C(=O)OCc3ccccc3)CC1)O2 587393361 HDTULCNDSRWDLJ-IBGZPJMESA-N 408.498 4.350 0 1 HIAF COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4n1C)(c1ccccc1)[C@@H](C2)C3=O 587430600 JMOWPTBZMSMAGJ-SIBVEZHUSA-N 410.473 4.468 0 1 HIAF C=CN1CCCC[C@@H]([C@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587444457 PYOGFJDMYIXNDM-YPCDYVTLSA-N 417.505 4.419 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(CC(=O)O)c1)[C@@H](C2)C3=O 587446192 ASPLVDPMTIPVGW-CPJSRVTESA-N 400.430 4.014 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c[nH]c(C(=O)OC)c1)CC2=O 587480831 FPKMYWIFAZKCSC-XMMPIXPASA-N 405.450 4.368 0 1 HIAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(N)ccc2O1 587580933 TXGHISKTNYWEQV-YKSBVNFPSA-N 403.434 4.393 0 1 HIAF CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593023 BSEDMAGEXODRTR-BWKNWUBXSA-N 418.445 4.429 0 1 HIAF COC(=O)[C@@H]1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587597368 YVYHCFPHUNGCRU-YFLQWDEBSA-N 416.429 4.300 0 1 HIAF CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587637590 DBHJHMXBZPBGJP-UHFFFAOYSA-N 402.244 4.401 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(=O)n(C)c3ccccc23)N1 587771998 UWYNUNFIYZUQSD-YBTHPKLGSA-N 401.279 4.064 0 1 HIAF COC(=O)c1cccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587800127 AFJMDINFUSISSL-DGIBIBHMSA-N 417.278 4.480 0 1 HIAF COc1cc(OC)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805805 HVKABPFJFXHECA-PRWKNARSSA-N 424.310 4.412 0 1 HIAF COc1ccccc1[C@@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809479 UAGGDCCNCBRXKL-FKIZINRSSA-N 406.295 4.354 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C)cc1 587867426 DQYRGUIKXANQCX-ZDUSSCGKSA-N 405.376 4.389 0 1 HIAF O=C1CCC(c2ccccc2)(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1 587969824 AJZVHSWXMAUHMQ-UHFFFAOYSA-N 413.271 4.453 0 1 HIAF Cc1sc2nc3n(c(=O)c2c1C)NC(c1ccc(Br)cc1)=CS3 958054807 AGOWETQSKXLMSL-UHFFFAOYSA-N 406.330 4.485 0 1 HIAF COC[C@]1(CC(=O)C(C)C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963819919 YVTUTFSIICKCNO-VWLOTQADSA-N 406.526 4.350 0 1 HIAF CCCN(CCC)CC(=O)Nc1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C 1772653303 FSEJIPKYGNGKON-PDGQHHTCSA-N 412.509 4.324 0 1 HIAF O=C1c2cc(Oc3ccc(C(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1 1772656923 JKGGTVBQZIHWJC-UHFFFAOYSA-N 415.371 4.323 0 1 HIAF c1ccc(CO[C@@H]2CO[C@@H]3[C@@H](NCc4ccc(-c5ccccc5)cc4)CO[C@@H]23)cc1 2356871449 YBDVCZUJQMFVNM-QUMGSSFMSA-N 401.506 4.195 0 1 HIAF Cc1cc(N2CCN([C@H](C(=O)NC3CCCC3)C(C)(C)C)CC2)c2ccccc2n1 95570795 UMIBXUNVQBUXSE-HSZRJFAPSA-N 408.590 4.139 0 3 HIAF CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc3c(cc2N1C)C1(CCC3)CCC(C)(C)CC1 13779362 JZQRNYZBAVMSEE-REWPJTCUSA-N 412.618 4.355 0 1 HIAF COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Br)cc1 27561256 HPAFNIOFBXRJBX-UHFFFAOYSA-N 402.244 4.036 0 1 HIAF O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCCc1ccc(F)cc1 28457106 DTTQTDUZOHHUFF-GVAUOCQISA-N 405.513 4.308 0 1 HIAF CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCN[C@@H]3CCCC[C@@H]32)cc1 28762619 KGERRRVIMYMABD-DSNGMDLFSA-N 405.586 4.474 0 1 HIAF COc1cc2sn(CCCCCN3CC4CCC(CC4)C3)c(=O)c2cc1OC 29402780 CFUWMNFRGHFSNG-UHFFFAOYSA-N 404.576 4.373 0 1 HIAF NCCC[C@@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCCC1 36184664 NGADEBBDUSTEJD-QHCPKHFHSA-N 412.484 4.225 0 1 HIAF CC[C@@H]1C[C@@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 40380296 WBUZWMNIWAQICA-QWHCGFSZSA-N 408.593 4.438 0 1 HIAF O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1Cc2ccccc2C[C@H]1CO 40567289 XDXODOPHSMNEAX-KRWDZBQOSA-N 417.349 4.213 0 1 HIAF COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1CN1CCCC1)OCO2 45390843 ZWBRQXJRYQHZOC-UHFFFAOYSA-N 404.466 4.148 0 1 HIAF COc1cc(C(=O)NCc2cc(-c3cccc(Cl)c3)no2)ccc1-n1cnc(C)c1 68246347 BVZWAPVCFXIAHI-UHFFFAOYSA-N 422.872 4.428 0 1 HIAF COc1ccccc1-c1cc2c(Nc3cccc(S(C)(=O)=O)c3)nccc2n1C 82082656 YKFCYDLFQLUHDD-UHFFFAOYSA-N 407.495 4.396 0 1 HIAF Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)N(CC(C)C)CC(C)C)c1 82216825 UHVRKPHUETXDPJ-UHFFFAOYSA-N 410.562 4.043 0 1 HIAF COC(=O)Cc1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2ccc(OC)cc12 95581980 MPWSDKXFYPCNAI-UHFFFAOYSA-N 405.372 4.381 0 1 HIAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(Cc3nccs3)C23CN(CC2CCCC2)C3)cc1 95663292 JWFNPDGEUYKSKU-NJPHHMIOSA-N 423.626 4.381 0 1 HIAF COc1ccccc1OCCNC[C@H](O)CCOc1ccc2c(c1)[nH]c1ccccc12 96939527 XJUQNTIRRLLMPG-GOSISDBHSA-N 420.509 4.128 0 1 HIAF COc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCC(C)CC2)cc1 201541705 JZNKEYQJYYJFBQ-UHFFFAOYSA-N 414.502 4.452 0 1 HIAF CC(=O)OC[C@H](OC(C)=O)[C@]1(C)C[C@@H](O)[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 238745492 GCXYZMBESPRGQQ-YIXAEEPASA-N 424.578 4.022 0 1 HIAF Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 253676643 HZPGVFKYDDQWIZ-GASCZTMLSA-N 422.360 4.311 0 1 HIAF Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](C1CCCCC1)OCC3(C)C 473084748 ULFSPLUPVUCLTB-JOCHJYFZSA-N 421.541 4.092 0 1 HIAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587193766 GXCQQFOWYZWVQZ-IBGZPJMESA-N 422.529 4.311 0 1 HIAF Nc1cc(C(=O)O)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587248764 DLTKXXSPSJHJQM-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCSCC2)nc1 587619101 QUCDLCAAIGJKBG-OFNKIYASSA-N 420.490 4.043 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(NC(=O)OC(C)(C)C)C2)N1 587744684 SJINHKNAUHHOBI-WVUVWOFSSA-N 413.331 4.395 0 1 HIAF 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HIAF CC(=O)Oc1ccccc1[C@@]1(c2cc(F)ccc2F)NCCc2c(C(=O)O)cccc21 963118171 AIIFAHODWMFKAN-DEOSSOPVSA-N 423.415 4.026 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OC[C@@H]4CC4(F)F)ccc3C2)cc1 1772620632 YWRZRKINENHNGM-AOMKIAJQSA-N 414.496 4.476 0 1 HIAF C[C@H](Oc1ccc(Oc2ccc(F)cc2)cc1)C(=O)Cn1nnc(-c2ccccc2)n1 1857595279 BJRSWSMLWOGTOZ-INIZCTEOSA-N 418.428 4.308 0 1 HIAF CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](N(C)C)C[C@]2(C)[C@H](C(C)=O)CC[C@H]32)C[C@H]1O 2356732994 NCGLTZSBTFVVAW-CEUWLEJGSA-N 405.623 4.150 0 1 HIAF Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)NCc2ccco2)C1 4119086 OSLVOFCPZSIWRL-KRWDZBQOSA-N 413.905 4.425 0 3 HIAF Cc1c(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(=O)n(-c2ccccc2)n1C 19791412 UWOAAFCEQZSKOB-LJQANCHMSA-N 423.944 4.233 0 3 HIAF COc1ccc(C(=O)c2ccsc2-c2cc(OC)c(OC)c(OC)c2)cc1O 26393144 NLLGQHSWAVVWME-UHFFFAOYSA-N 400.452 4.386 0 1 HIAF CC[C@H](C)CNC(=O)c1ccc2c(c1)c(Cc1ccc(C(=O)O)cc1OC)cn2C 28756296 VOASOHMUUXCAOP-HNNXBMFYSA-N 408.498 4.252 0 1 HIAF NC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccc3F)n2)cc1 43073353 BGQBMXVMYREWEU-UHFFFAOYSA-N 401.397 4.173 0 1 HIAF CC(=O)Nc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 49112727 RXBPOECJGWJGFO-SNDHGLFQSA-N 408.457 4.042 0 1 HIAF O=C(O)c1cn(Cc2ccc(-c3cccc(Cl)c3)cc2)c2c(c1=O)[C@H](O)CCC2 49116347 WACABJHLYMYADY-HXUWFJFHSA-N 409.869 4.285 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1F)N1CCN(c2ccc(F)cc2Cl)C(=O)C1 59286405 ZXKRTBVLLKGLLG-UHFFFAOYSA-N 418.749 4.126 0 1 HIAF Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)cc1 63298216 NZVDDFRUBIEKLV-UHFFFAOYSA-N 418.482 4.478 0 1 HIAF O=C(Nc1ccc(N2CCOCC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F 73169265 NFXDSDWZGBKQCY-UHFFFAOYSA-N 417.387 4.449 0 1 HIAF C/C(=C/C(=O)O)CC/C=C/C=C\[C@@H](C)CC[C@@H](O)CCCC(=O)c1csc(=O)[nH]1 82158365 FZDDIXDEVGJIDX-ORZJUEFXSA-N 421.559 4.490 0 1 HIAF CCn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c2ccccc21 100632906 AGCNVMQBGLWVOV-KXBFYZLASA-N 419.550 4.335 0 1 HIAF Cc1c(-c2ccc(=O)n(CCCC(F)(F)F)c2)c2cc(F)ccc2n1CC(=O)O 117015282 UOSUWSUUIPKDMO-UHFFFAOYSA-N 410.367 4.345 0 1 HIAF O=c1c2cn[nH]c2c2ccc(-c3cccc(N4CCCC4)n3)cc2n1CC(F)(F)F 220066901 AFCSGBSMNZWFKZ-UHFFFAOYSA-N 413.403 4.102 0 1 HIAF O=C(O)C[C@H](c1ccccc1)c1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 238751022 JTBOHUIWOZNDGR-MRXNPFEDSA-N 418.401 4.183 0 1 HIAF CN1C[C@H](C(=O)OCCO)C[C@@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@H]21 253633411 KIIBBCNQABCMRJ-JMUQELJHSA-N 410.558 4.032 0 1 HIAF Cc1ccc(OCC(=O)Nc2ccc(-c3coc4cc(O)ccc4c3=O)cc2)cc1 473088415 IEUZVBLBCDSYLB-UHFFFAOYSA-N 401.418 4.492 0 1 HIAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586984587 SXJOXLUZVVANKQ-LBPRGKRZSA-N 400.198 4.467 0 1 HIAF COC(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2n1 587110369 SKTPFERJPYIQCS-UHFFFAOYSA-N 403.282 4.373 0 1 HIAF CN(C)CCOc1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587173186 SDQKMTKCLHGJRB-UHFFFAOYSA-N 424.451 4.098 0 1 HIAF Cc1cc(Cl)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587186402 KXRVRZDKQYXYSO-UHFFFAOYSA-N 408.630 4.444 0 1 HIAF COCC[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361417 YLLSRYXHHORVGP-JTHBVZDNSA-N 400.446 4.092 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccccc3Br)CC1)O2 587376647 JTZCPULBHIUCAF-UHFFFAOYSA-N 415.331 4.340 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(Br)cc1)[C@@H](C2)C3=O 587417959 NZFMWUZNIPWWJB-XOBRGWDASA-N 411.255 4.337 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)O)Oc2ccc(Cl)cc21 587462420 OQVUNZULMYHJOV-GHTZIAJQSA-N 402.830 4.095 0 1 HIAF O=C1C[C@H](c2cccn2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 587532946 QNHPDWICUKJRAJ-JOCHJYFZSA-N 407.491 4.310 0 1 HIAF CC(=O)Nc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576772 IARJQTVUACCDIC-ZJSXRUAMSA-N 401.418 4.154 0 1 HIAF CC(C)(C)c1cccc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595829 OUSUAOUUWBCEQR-DFBJGRDBSA-N 415.445 4.499 0 1 HIAF CCn1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587708916 FZQOTSFIOKPBIU-BJOHPYRUSA-N 406.221 4.145 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1cccnc1-c1ncccc12 587777938 KAALDSDHTAMNSD-MQJDWESPSA-N 424.273 4.019 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587791246 KNHQTPDEXANJML-YPMLDQLKSA-N 417.278 4.480 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587826247 DVLDQDGHQIXOCE-APBUJDDRSA-N 410.283 4.305 0 1 HIAF CCc1ccc(Cn2ccnc2CCc2c(Cl)c(O)cc(O)c2C(=O)OC)cc1 653916063 WNHZKLYAPSBNPU-UHFFFAOYSA-N 414.889 4.130 0 1 HIAF COc1ccc(CN2CC[C@@]3(CC2=O)NCCc2c(Cl)cc(Cl)cc23)cc1 963117253 CZCMJKQKJRVZOL-NRFANRHFSA-N 405.325 4.166 0 1 HIAF O=C(O)c1cccc2c1CCN[C@]21C(Br)=COc2cc(Cl)ccc21 963125161 RYSGJGKUYRMAFB-GOSISDBHSA-N 406.663 4.056 0 1 HIAF COc1cc(N(Cc2cccc(C)c2C)CC2CC2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O 1772586903 LRXJWJPKMGAWTD-PMACEKPBSA-N 408.498 4.027 0 1 HIAF O=S1(=O)C[C@@H](c2ccc(F)cc2)c2c(C3CC3)nn(-c3ccccc3Cl)c2O1 1857552218 PFXODHSEFAYGFU-HNNXBMFYSA-N 418.877 4.396 0 1 HIAF O=C(NC1CC1)c1c[nH]ccc1=Nc1cc(-c2cc(Cl)ccc2F)nc2[nH]ccc12 1857577972 LJLGIVAKWSPARG-UHFFFAOYSA-N 421.863 4.475 0 1 HIAF Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@@H]2[C@@H]2CCCCC2=O)cc1 61959014 FKSYPUAAFILRMY-OZSGRELSSA-N 415.599 4.426 0 3 HIAF O=C(NCCCN1CCN(c2ccccc2)CC1)C1c2ccccc2-c2ccccc21 13534327 SNZILXJFTMMHEQ-UHFFFAOYSA-N 411.549 4.127 0 1 HIAF COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C(F)(F)F)C3)c2cc1OC 14956406 JRTNNOOVINPMKT-CYBMUJFWSA-N 419.403 4.324 0 1 HIAF COc1ccc(C(=O)c2ccc3c(-c4ccc(OCC(=O)O)cc4)nocc2-3)cc1 28567695 MKSGIYQLOOWXQY-UHFFFAOYSA-N 403.390 4.149 0 1 HIAF COc1c(OCCF)cccc1[C@@H](O)C1CCN(CCc2ccc(C)cc2)CC1 40402848 MJKRYUCQHJLOIV-QHCPKHFHSA-N 401.522 4.340 0 1 HIAF COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(F)c4)oc3C)cc2oc1=O 40413250 SYDVUQFXTBMVHU-UHFFFAOYSA-N 423.396 4.304 0 1 HIAF COc1ccc2nc(C)n(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c2c1 40939932 KXWDEUBYGSGWAY-UHFFFAOYSA-N 419.525 4.098 0 1 HIAF CN(C)c1ccc(CNC[C@H]2C[C@H]3CCN2C[C@@H]3c2cc(C3CCCC3)nn2C)cc1 43526030 RNRXUJHCXJQHQH-JRFVFWCSSA-N 421.633 4.111 0 1 HIAF biogenic COCCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccccc1 82132244 UPXAPSBEZXFVDZ-UHFFFAOYSA-N 410.905 4.175 0 1 HIAF CCCCNC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccccc1 82132725 AKCWUPMNBFXSGS-UHFFFAOYSA-N 404.514 4.337 0 1 HIAF CCN(CC)CCOc1c(OC)ccc2nc3c(cc12)CCc1cc2c(cc1-3)OCO2 84712820 WGALSQNSSHZLNN-UHFFFAOYSA-N 420.509 4.458 0 1 HIAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)C[C@@H]2N3)cc1 100106686 IFSBLCACYZLUME-YXFZHOHLSA-N 418.562 4.099 0 1 HIAF CCOC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 100705818 MXXXVVPMDVQYNZ-LBPRGKRZSA-N 411.458 4.414 0 1 HIAF S=C1N[C@@H]2/C(=C/c3ccccc3Cl)CNC[C@@H]2[C@@H](c2ccccc2Cl)N1 103231000 ULTQRBSNPGXDHC-YFMKMKKGSA-N 404.366 4.184 0 1 HIAF COC1CCC2(CC1)Cc1ccc(-c3cccc(Cl)c3)cc1[C@@]21N=C(N)N(C)O1 141843810 FBXRSVMHWHFIPB-HXJXPZHGSA-N 411.933 4.483 0 1 HIAF CCCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3F)[nH]2)cc1 147968566 TURUQXQHJGPUOM-UHFFFAOYSA-N 400.479 4.439 0 1 HIAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@H]21 169373632 KCGXXRBMPRXFSA-ZJOBFFGXSA-N 406.448 4.348 0 1 HIAF COC[C@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1)c1ccccc1 219762994 TWRDYQQLWQSREY-IBGZPJMESA-N 405.433 4.273 0 1 HIAF CC(C)(O)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261177425 VFSAAGKCBXDENJ-KESTWPANSA-N 412.574 4.448 0 1 HIAF CO[C@@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 299856552 CTERVLHXMOVKJM-YLXWABNASA-N 420.590 4.152 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCc2ccccc21 299878472 JDJLTCSJXHKDJD-NUVSXXQVSA-N 424.585 4.323 0 1 HIAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1)N1CCC1 586955426 IFNCONCHTCPBDP-UHFFFAOYSA-N 400.262 4.070 0 1 HIAF O=c1c(-c2nc3nccc(Cl)c3[nH]2)cc(Br)cn1Cc1ccccc1 587007111 VOYZQNYBNCSIDX-UHFFFAOYSA-N 415.678 4.251 0 1 HIAF Cc1nccc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c12 587131125 YSRDBGGCZWWZPC-UHFFFAOYSA-N 406.396 4.483 0 1 HIAF CCOC(=O)CNc1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 587226216 XEVUVQBVKSIWMD-UHFFFAOYSA-N 401.470 4.036 0 1 HIAF C[C@@]1(CN2Cc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342206 ZSNNCOJRSXGAES-RDGATRHJSA-N 417.436 4.305 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587575879 GROKYRGZBMUWIV-NZQKXSOJSA-N 413.433 4.293 0 1 HIAF C[C@H](O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588218 JZKNLEXEOWJVHA-WVRMYWEISA-N 401.418 4.111 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccn2)N1 587677207 HGIXAUFIOQPXHA-ANRSDYALSA-N 400.089 4.369 0 1 HIAF COC(=O)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587699486 KSYMFMNOIRGPQE-MGNBDDOMSA-N 412.686 4.192 0 1 HIAF COc1ccccc1-n1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587761780 WANYOTJCSAXNAU-MPBGBICISA-N 416.294 4.406 0 1 HIAF COc1ccc(OC)c([C@]2(CCCCC(=O)O)NCCc3ccc(F)c(C)c32)c1 962372637 HKFDERPOQTYKKW-QHCPKHFHSA-N 401.478 4.186 0 1 HIAF Nc1sccc1[C@]1(c2ccccc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962775205 ZKNKMYFNUHMBAI-FXAWDEMLSA-N 402.441 4.268 0 1 HIAF COc1ccc(-n2c(C)c(C)c([C@@H]3NCCc4ccc(C(=O)N(C)C)cc43)c2C)cc1 962924720 LUJPKVQXJKLVGK-RUZDIDTESA-N 417.553 4.348 0 1 HIAF CC(C)(C[C@]1(c2ccc3ccccc3c2)NCCc2c(C(=O)O)cccc21)C(=O)O 963132430 PVNFLDOHRSZFNS-RUZDIDTESA-N 403.478 4.428 0 1 HIAF O=C(Nc1ccccc1)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963231860 RPQOLYGASBKYTL-ZEQRLZLVSA-N 423.472 4.175 0 1 HIAF COc1c(OC2CCC2)ccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772654181 AFCZNTMGBFCPFW-KRWDZBQOSA-N 408.542 4.382 0 1 HIAF Cn1ncc2ccc(-c3ccc4cnn(Cc5ccc(F)c(C(=O)O)c5)c4c3)cc21 1857586884 XJRCQTBZGGBOMT-UHFFFAOYSA-N 400.413 4.476 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@@H]1c1cc(F)ccc1Cl 1857634426 FGCLYZGQTDCLGQ-MRXNPFEDSA-N 405.882 4.350 0 1 HIAF O=C(NCCCn1ccnc1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 1857652608 DVIDXRNDVNPNTK-UHFFFAOYSA-N 406.873 4.277 0 1 HIAF C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]5C[C@]4(CO5)[C@H]3CC[C@@]21C 1857653005 QKONQSZPJPVDCR-IBESOUQSSA-N 417.634 4.500 0 1 HIAF C[C@H](CCC(=O)N(C)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 1857770319 NZRFOYFNLANZCQ-BHYUGXBJSA-N 419.650 4.482 0 1 HIAF COc1ccc(C=C2OC(=O)[C@H](Cc3ccc(O)c(Cl)c3)[C@]2(O)C(C)C)cc1 2356715235 RSVNZCJGMZWPMU-HTAPYJJXSA-N 402.874 4.198 0 1 HIAF COC(=O)C1=C(Nc2ccc(OC)cc2)C=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccc(C)cc1 3623448 JIEKOVLBZONABQ-YADHBBJMSA-N 421.493 4.376 0 3 HIAF NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2Cl)cc1 61948685 HCLCGFNUGXOJBD-OAQYLSRUSA-N 411.914 4.343 0 3 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 769210 UHOYXVCERVTWJE-QUCCMNQESA-N 411.914 4.392 0 1 HIAF CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(OC)cc1 1648931 CNRUEPLLHXEFLS-UHFFFAOYSA-N 405.376 4.446 0 1 HIAF COc1ccc([C@@H]2[C@@H]([S@](=O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 3825865 XWUQQQBMFUKYLG-SGQNLQFHSA-N 405.519 4.143 0 1 HIAF CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)N3CCc4ccccc43)cc21 5058530 QLXGUXKVGRNNOO-PMERELPUSA-N 416.502 4.036 0 1 HIAF CC[C@@H](C)C(=O)O[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 11592690 PCZOHLXUXFIOCF-KPNNFYHOSA-N 404.547 4.196 0 1 HIAF C[C@](O)(c1ccc(Cl)cc1Cl)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26009427 DNYCEXVCJFBDSF-ROUUACIJSA-N 412.704 4.034 0 1 HIAF CC(C)=CCN1Cc2c(I)ccc3nc(S)n(c23)C[C@@H]1C 27892509 BMKOEEUUPGLZMF-NSHDSACASA-N 413.328 4.100 0 1 HIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)Cn3cnc4c(Cl)ncnc43)C[C@@H]1O2 40413739 QCBZUAYNEKGAST-FFSVYQOJSA-N 412.877 4.022 0 1 HIAF Cc1ccc(C(=O)c2nccn2C/C=C/c2cccc(OC(C)(C)C(=O)O)c2)cc1 71316395 OSZFOSPLHYUIJD-FNORWQNLSA-N 404.466 4.378 0 1 HIAF O=C(O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82072906 IAHIKKHXHLTNIZ-GFCCVEGCSA-N 422.281 4.068 0 1 HIAF Oc1cccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2C[C@H]2CCCO2)c1 82185471 CIWPYPVTGKLZOA-LJQANCHMSA-N 419.460 4.129 0 1 HIAF C[C@H]1C/C=C/C[C@H](c2ccc(F)cc2)NC(=O)[C@H](C)N(C)C(=O)c2ccccc2O1 95663544 GDGOWZRPPFKRJA-YCHLZHKOSA-N 410.489 4.261 0 1 HIAF Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 96284081 QGUGSIVNZPWVQH-UHFFFAOYSA-N 416.489 4.098 0 1 HIAF O=C(c1cccc(Cl)c1)c1c(-c2ccc3[nH]ncc3c2)nnn1CC1CCOCC1 147986253 JAHHTHYKLMZXOK-UHFFFAOYSA-N 421.888 4.132 0 1 HIAF CC(C)(C)OC(=O)NCc1cccc(-c2ccc3ncc(-c4ccncc4)n3n2)c1 169306618 GMHRYCAFQTYGSK-UHFFFAOYSA-N 401.470 4.483 0 1 HIAF O=c1c2c(n3nnnc3n1Cc1ccccc1Cl)-c1ccccc1CC21CCCC1 169326405 TXAQHCQVYCKECA-UHFFFAOYSA-N 417.900 4.023 0 1 HIAF COc1ccc(-c2ccc(CCCNc3ccc(CN4CCOCC4)cc3)nn2)cc1 473090901 BATJAOQOPVVCFL-UHFFFAOYSA-N 418.541 4.029 0 1 HIAF Clc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3)CCO4)CC2)ccn1 473134404 BZLFIPHWLWRNRG-UHFFFAOYSA-N 422.920 4.136 0 1 HIAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ncc4[nH]3)CC2)cc1 586955215 MURXCAKNUZNZJU-UHFFFAOYSA-N 418.950 4.303 0 1 HIAF COC(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586965989 BBJJKPSSFCVBKE-UHFFFAOYSA-N 419.510 4.159 0 1 HIAF CN(C)C(=O)c1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1 586995911 LKFDCVXQDHSRTE-UHFFFAOYSA-N 402.292 4.341 0 1 HIAF O=c1c(-c2nc3c(F)c(F)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 587006658 PVCAOOAGAKRVMH-UHFFFAOYSA-N 416.225 4.481 0 1 HIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 587041532 XBTOPVSRNGCRHQ-NSHDSACASA-N 402.289 4.447 0 1 HIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(Br)c4[nH]3)cc2N1 587127342 XJCFFZSJLWLGMR-WRWORJQWSA-N 400.202 4.496 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2ccc(F)c(F)c2[nH]1)c1ccc(F)cc1 587170425 BUVVJEFFHDLHJR-UHFFFAOYSA-N 403.385 4.448 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN[C@@H](C(=O)O)[C@H]32)c1 587363699 SXWKEUQGBZRTTN-NTDBCUBYSA-N 414.461 4.359 0 1 HIAF CCOC(=O)CCc1c(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccn12 587393520 IKLFHTHBHPPILH-OAQYLSRUSA-N 406.482 4.341 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ncc(Br)nc13)CC2=O 587461130 XGMQUMXZNGIOSP-AWEZNQCLSA-N 402.248 4.085 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3nc(C)cs3)c(=O)c3ccccc23)c(O)c1 587670805 SHZRVHTVZVWPQU-UHFFFAOYSA-N 406.511 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Br)N1 587677423 AFHACDOIJYEXEA-XLKFXECMSA-N 400.089 4.369 0 1 HIAF Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccn1 587763523 JWQBPSNCECMPNJ-MPBGBICISA-N 415.310 4.275 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NC[C@H]1CCCO1 587860012 OMIVEYAZQRWZJI-GFCCVEGCSA-N 400.331 4.157 0 1 HIAF C[C@@H]1CN(Cc2ccccn2)CC[C@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962696693 GRMLXFSMLNOLCS-LJFZDNNRSA-N 411.590 4.322 0 1 HIAF COc1ccc(C(=O)Nc2ccc3[nH]c(-c4cccc(OC)c4)cc(=O)c3c2)cc1 13111145 SILQXLVFYIWMQI-UHFFFAOYSA-N 400.434 4.465 0 3 HIAF aggregator COc1cc(O)c([C@H](CCN2CCC[C@H](C)C2)c2ccc3c(c2)OCO3)c(OC)c1 34961391 MGXRZPBUKHOSJG-QFBILLFUSA-N 413.514 4.392 0 3 HIAF Cn1c(=O)c2cc(NC(=O)NCc3ccccc3)ccc2n1Cc1ccc(Cl)cc1 61904649 BKCAEASUIQGVAM-UHFFFAOYSA-N 420.900 4.363 0 3 HIAF O=CNc1cc(-c2ccc(C(=O)NC3CC3)cc2)cn2c(-c3ccc(F)cc3)cnc12 61927573 LWGNDOALDJXZPD-UHFFFAOYSA-N 414.440 4.268 0 3 HIAF C[C@H](SC(=S)N1CCCCC1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 1658305 PBEKGYULFSLLNO-NSHDSACASA-N 410.952 4.221 0 1 HIAF Cc1c(C(=O)N[C@H](C)c2ccccc2)oc2ccc(S(=O)(=O)N3CCCC3)cc12 2459982 UIAUHWHMBGFNEF-MRXNPFEDSA-N 412.511 4.017 0 1 HIAF CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)N1CCc2ccccc21 13747450 NFKWBNZBXUATNR-UHFFFAOYSA-N 402.516 4.329 0 1 HIAF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1OC)[C@@H](O)[C@]1(C)CCCN1C3 14593905 GLTPZLWULMGGJK-RPWUZVMVSA-N 409.482 4.126 0 1 HIAF biogenic O=C1c2ccccc2C(=O)N1CCCN1[C@H]2CC[C@@H]1c1c([nH]c3ccc(F)cc13)C2 27102363 UWOJGRHXHUGQNA-YCRPNKLZSA-N 403.457 4.055 0 1 HIAF O=C(O)[C@H]1Cc2ccccc2C[C@H]1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 28133226 JBZFTIBOGQVLLX-FCHUYYIVSA-N 408.475 4.121 0 1 HIAF COc1cc([C@H]2C(=O)OC[C@@H]2C(=O)c2cccc3ccccc23)cc(OC)c1OC 28378443 YPCYFZPHBYZMDW-GHTZIAJQSA-N 406.434 4.005 0 1 HIAF O=c1[nH]c(C2=C[C@H](N3CCN(c4ccc(F)cc4)CC3)CC2)nc2c(Cl)cccc12 28954777 GPGHAEZSQYYSDX-GOSISDBHSA-N 424.907 4.084 0 1 HIAF Cc1cc(C(=O)O)nn1Cc1cc(Br)ccc1OCc1ccccc1 29043384 NIKRNNCEAFBTLC-UHFFFAOYSA-N 401.260 4.280 0 1 HIAF CN1CCN(CCc2ccc(C3=CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)cc2)CC1 29128054 WTJMJPZPMMIOOV-VPUSJEBWSA-N 401.598 4.012 0 1 HIAF CCO[C@@H](Cc1ccc(OCCN2CC=C(c3ccc(F)cc3)CC2)cc1)C(=O)O 45496198 KFVSCFDCFVZILC-QHCPKHFHSA-N 413.489 4.026 0 1 HIAF Cc1nc(-c2ccc(F)cc2F)n(C)c1CC(=O)NCc1cccc(Cl)c1C 72109186 BKTOISVCIKRILI-UHFFFAOYSA-N 403.860 4.494 0 1 HIAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC4CCCCC4)c21)C[C@@H](C(C)(C)O)O3 85595068 JBKBYZSYPZDKAR-FQEVSTJZSA-N 414.498 4.325 0 1 HIAF biogenic,in-vitro C[C@@H]1CCCN1c1cccc(Nc2cc(-c3cccc(CO)c3)nn3ccnc23)n1 95572117 RRLDDDWFZGWTPM-MRXNPFEDSA-N 400.486 4.016 0 1 HIAF O=C(O)[C@@H]1CCCN(CCO/C=C/c2ccc(F)cc2Cc2ccccc2F)C1 96923646 KTUNXHGQFWELDZ-VSRDTVRMSA-N 401.453 4.340 0 1 HIAF C[C@@H](Oc1cc(-c2ccc(C3(N)CC3)c(Cl)c2)cc2ncccc12)[C@H]1CNC(=O)C1 147824232 MSDFJOGKNPZOCQ-RHSMWYFYSA-N 421.928 4.406 0 1 HIAF CNc1nc(Nc2cc(OC)c(-c3nccn3C)cc2Cl)ncc1C(F)(F)F 169704334 UDBUOEJHDQLEAU-UHFFFAOYSA-N 412.803 4.343 0 1 HIAF Cc1c(Br)cnc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 587126395 ABBOTAJSMQJPDI-UHFFFAOYSA-N 412.169 4.471 0 1 HIAF C[C@]1(c2ccc(NC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331005 CTMIWVFXYGZMQV-NZQKXSOJSA-N 406.413 4.296 0 1 HIAF C[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348405 ODUKFRBIGMJPLC-VWNXMTODSA-N 422.408 4.269 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(Br)cc1)O2 587372095 NYAQDPMTRALELA-IBGZPJMESA-N 403.276 4.092 0 1 HIAF Cc1ccc([C@]2(c3cc(/C=C\C(=O)O)n(C)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587391137 PPNDFZNIEHTSDU-KWQGRVAKSA-N 416.477 4.231 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](C1CC3(C1)CN(C(=O)OC(C)(C)C)C3)CC2=O 587473886 CROLTPNBOBCZHE-IBGZPJMESA-N 401.503 4.326 0 1 HIAF CN(C)c1cc(Br)cnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496541 IBANCDKAHANSCN-GOSISDBHSA-N 401.304 4.495 0 1 HIAF Cn1cc(C(=O)Oc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cn1 587517692 SFLTURFUZMDGRH-RUZDIDTESA-N 416.477 4.399 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587727143 ARCVIQWIZVUFQU-WYRIXSBYSA-N 410.258 4.068 0 1 HIAF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)OC 587802495 SLRLIMBFDUYNDG-JEOXALJRSA-N 422.294 4.397 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587808100 NMKOIVNJTGFOSM-BIBXISHDSA-N 406.295 4.329 0 1 HIAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356308447 UNEXLHASNFZPAF-GUDVDZBRSA-N 411.546 4.249 0 1 HIAF Cn1c(NCCN2CCCC2)nc2cc(-c3cccc(C(F)(F)F)c3)sc2c1=O 61930537 ASPNQQOPYGIBKX-UHFFFAOYSA-N 422.476 4.189 0 3 HIAF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(C(=O)C2CCCCC2)CC[C@@]1(C)O 2356289714 YFLDLCOKQFBFCQ-TXTKFYIRSA-N 420.619 4.274 0 1 HIAF CC(=O)OC[C@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 8829759 PDMLWQRUTOFRTQ-JKNFRCCSSA-N 420.546 4.349 0 3 HIAF CCc1nn(Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)c(CC)c1CC(=O)O 113989813 OYYYINNUCIYRJO-UHFFFAOYSA-N 409.461 4.075 0 1 HIAF Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCc4nnn[nH]4)cc3)c2c1 66251166 YSFBRPKSLZZJHJ-UHFFFAOYSA-N 405.527 4.185 0 1 HIAF Cc1cc(C)cc(-c2c(OC[C@@H]3CN(C)CCO3)c3ccc(Cl)cc3[nH]c2=O)c1 26579105 RSTRADAHRRNBJB-SFHVURJKSA-N 412.917 4.175 0 1 HIAF Cn1c(O)c(C2=NN(c3ccccc3)[C@@H](c3ccccc3O)C2)c(=O)c2ccccc21 3846546 UQOIFDQHOXBVDL-OAQYLSRUSA-N 411.461 4.305 0 1 HIAF biogenic CC1(c2c(C(=O)NC3C4CC5CC(C4)CC3C5)cnn2-c2ccc(C(=O)O)cc2)CC1 43197910 VDIFOBFULIDFKJ-UHFFFAOYSA-N 419.525 4.177 0 1 HIAF CC(C)CNC(=O)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 40394376 TZLOTALZWAMXNF-UHFFFAOYSA-N 404.495 4.075 0 1 HIAF CCCSc1nc(N2CCCC[C@H]2C(=O)O)ccc1C(=O)NC1CCCCC1 95578346 OUWJQKDZRGZBGA-KRWDZBQOSA-N 405.564 4.090 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCCNC2)N1 587797917 SRQVADOOVJUEIQ-ZVGUJKQYSA-N 403.339 4.366 0 1 HIAF COC(=O)[C@@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587803481 AYYUNVCTHMWPBE-QRVQBPJGSA-N 404.279 4.026 0 1 HIAF CCc1nn(CC)c2c1[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587761402 BEFKSWMDJDYPGK-YUNKPMOVSA-N 406.343 4.481 0 1 HIAF Cc1ccc(NC(=O)CSCCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 586969968 CSTODGFQJZEAKB-UHFFFAOYSA-N 409.490 4.111 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CN(C(=O)OC(C)(C)C)C2)N1 587759224 FGNKBSLWEKNGOO-IAQYHMDHSA-N 413.331 4.421 0 1 HIAF CC(=O)N(c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1)C1CC1 587853467 NHCDYDBHKIDISH-VVVCHXIZSA-N 424.339 4.184 0 1 HIAF COC(=O)c1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586998427 JRXKQKRXWZHOQA-AATRIKPKSA-N 401.216 4.011 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@@H]2OCc2ccccc2)N1 587833040 DWAUCIXDXGPSLI-YMTYPPQLSA-N 420.322 4.323 0 1 HIAF O=C1C[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587528285 YOVCNGJXJDCEAE-NRFANRHFSA-N 402.450 4.433 0 1 HIAF O=C(O)Cc1c(-c2cc(F)ccc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988530 KTGIPCWAYULHDA-UHFFFAOYSA-N 415.376 4.291 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)c(Cl)cc4c1OCCO4)[C@@H](C2)C3=O 587420613 QLTVYIWMABUISW-YBTHPKLGSA-N 407.249 4.436 0 1 HIAF COc1ccc2c(c1)[C@H](c1sc(N3CCC(O)CC3)nc1Cl)N(C(C)C)CC2 962089875 ICLBQPPHANWBPX-GOSISDBHSA-N 421.994 4.122 0 1 HIAF CCCn1ccnc1[C@@H]1c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963914595 IAHWYEKSQVPGEG-XLIONFOSSA-N 413.518 4.327 0 1 HIAF CCOc1cccc(CN2CCC(NC(=O)c3ccc(Cl)nc3Cl)CC2)c1 1772619246 JFWNLLFPDTWILF-UHFFFAOYSA-N 408.329 4.182 0 1 HIAF Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCOCC2)cc1F 1772588577 FBJJRYVPOKRMGU-UHFFFAOYSA-N 420.893 4.005 0 1 HIAF CC(C)CC(CC(C)C)n1nc(CO[N+](=O)[O-])cc1-c1ccc(S(C)(=O)=O)cc1 13560520 OMZRCTVKPYYDTP-UHFFFAOYSA-N 423.535 4.295 0 1 HIAF COc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(C(=O)NCC3CCCC3)cc12 13650708 FZNPYKLRCOCHPX-UHFFFAOYSA-N 420.509 4.396 0 1 HIAF CN(C)CCCCN1CCc2cc(Br)c(O)cc2[C@H](c2ccccc2)C1 13743895 AEFMBWDXTMRYHD-FQEVSTJZSA-N 417.391 4.487 0 1 HIAF CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CCO[C@@H]2CCCO2)CC1 13797095 BALBTHVJTPFUOX-XMMPIXPASA-N 417.553 4.349 0 1 HIAF COc1cc(OC)c([C@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(OC)c1 14648240 LKUWYFZLCAUAGB-HXUWFJFHSA-N 414.454 4.339 0 1 HIAF endogenous,in-man CN1CCN(C[C@@H](O)c2cc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc23)CC1 169334673 MHOWPKITXJMAAI-JOCHJYFZSA-N 416.352 4.489 0 1 HIAF COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ncc(C)s2)cc1OC 200410034 KZDOYGPQRTYYQX-FDDCHVKYSA-N 424.522 4.444 0 1 HIAF CCCCNC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)nc2ccccn12 1857609314 VCNQOECAICTRCP-UHFFFAOYSA-N 404.392 4.135 0 1 HIAF CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC2CCC2)c2c[nH]nc2c1 1857615375 VQNDDNOJLMXOHA-UHFFFAOYSA-N 403.479 4.179 0 1 HIAF O=C(OCC(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1C(=O)c1ccccc1 7097073 CYIDXEYRUJHRHM-UYAOXDASSA-N 405.494 4.113 0 1 HIAF biogenic COc1ccc(Nc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 16052640 ZVWFECUPYCFYBL-UHFFFAOYSA-N 417.853 4.047 0 1 HIAF in-vivo CCC(=O)Nc1cc(C)c(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c(C)c1 26826825 DNNZHKKVZXVYIR-UHFFFAOYSA-N 421.585 4.431 0 1 HIAF CCC(C)(C)Cc1c[nH]c(CCc2ccc(N3CCCC[C@@H]3c3nnn[nH]3)cc2)n1 49111749 KMHOLOFSIVCMCJ-HXUWFJFHSA-N 407.566 4.418 0 1 HIAF O=C(Nc1cccc(N2CCOCC2)n1)Nc1ccnc2c(C(F)(F)F)cccc12 63298419 MJCKUHBSAUHVJE-UHFFFAOYSA-N 417.391 4.129 0 1 HIAF O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnncc2c1 72178620 SKCLXSULKQAAON-HXUWFJFHSA-N 415.324 4.407 0 1 HIAF COc1ccc([C@H]2CC(=O)c3c(O)cc(OC(=O)c4ccccc4)cc3O2)cc1O 95563234 IFTCIPUASVVMKC-HXUWFJFHSA-N 406.390 4.032 0 1 HIAF O=c1c2ccccc2sn1[C@@H](Cc1ccccc1)c1nnc(-c2cccnc2)o1 95593126 FGUFZGYOUAXWBQ-SFHVURJKSA-N 400.463 4.340 0 1 HIAF Cc1ccc([C@@H](C)N2C[C@H]3[C@H](NC(=O)[C@](O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1 101118418 AUEHDRBMNXBWBT-OAUYJGCHSA-N 418.581 4.180 0 1 HIAF O=C(Nc1ccc(Br)cc1)c1c(NO)cc(-c2ccccc2)oc1=O 103238583 CSTFJHBATZJKOG-UHFFFAOYSA-N 401.216 4.123 0 1 HIAF O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@@]1(c3ccccc3)CC[C@@]2(C(=O)c2ccccc2)O1 105515519 OXEKLCAFUFECLU-RGXZNCPUSA-N 423.468 4.133 0 1 HIAF CCC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(I)c(Cl)c1)N2 169341434 IPBBJWDRJMAEIL-VAECKANCSA-N 403.691 4.148 0 1 HIAF O=C(O)c1cc(F)cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586957715 ATLXIWRIWOFIBZ-LJAQVGFWSA-N 408.454 4.439 0 1 HIAF CC(C)(C)OC(=O)NC1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCC(O)CC1 587237794 XQLXKEFUUNLVSV-UHFFFAOYSA-N 415.412 4.116 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)([C@@H]2CCCO2)[C@H]1c1ccc(F)cc1 587341069 VFZRKXJZYAPYNL-WPFOTENUSA-N 405.425 4.360 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)O2 587395774 OKBXZPHNMGNPCV-QMHKHESXSA-N 400.519 4.481 0 1 HIAF CC[C@@]1(c2cc(C(=O)O)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553460 BKHRTMQKWSNTHQ-XXBNENTESA-N 408.381 4.497 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccco1)[C@H](O)c1ccco1 587619330 WXXQMOZEGBUSCC-PMOQBDJRSA-N 404.374 4.169 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)nn1 587655340 CLAVJEKBMYVSCQ-UHFFFAOYSA-N 404.298 4.140 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)nc(N3CCCC3)c2)N1 587738067 JUHQRJLOPASZPR-NSPYISDASA-N 408.290 4.346 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cn3ccnc3)c2)N1 587755749 QKPBNFIIQNCNSI-RNODOKPDSA-N 400.295 4.457 0 1 HIAF CCOC(=O)[C@H](C)n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757404 VKSYXMHKVAJAOW-PZROIBLQSA-N 409.299 4.137 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCC3=O)c2)N1 587766373 GLRWHMJVNGPBHJ-MPBGBICISA-N 403.295 4.123 0 1 HIAF O=C(Nc1ccccc1-c1nc[nH]n1)c1cc(C(F)(F)F)cnc1N1CCCCC1 621432696 ATKIHLSJRPLRJW-UHFFFAOYSA-N 416.407 4.128 0 1 HIAF COc1ccc(-c2ccccc2[C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962931662 ORYBSZWAHZVHNS-AREMUKBSSA-N 400.522 4.473 0 1 HIAF COc1cc(OC)cc(Oc2ccc([C@@H]3NCCc4nc5ccccn5c43)cc2)c1 962982814 KUMHLHSXBXPYBO-QHCPKHFHSA-N 401.466 4.379 0 1 HIAF CN(C)[C@@H]1CCN(C(=O)Nc2ccc3sc(-c4ccc(F)c(F)c4)nc3c2)C1 1772652698 KTEFVJATZAPWCV-CQSZACIVSA-N 402.470 4.409 0 1 HIAF O=C(c1cc(-c2ccc(O)cc2)n(-c2ccccc2)n1)N1CCN(c2ccccc2)CC1 1772653848 CUXRWSWXVOPHTK-UHFFFAOYSA-N 424.504 4.207 0 1 HIAF CC1CCN(c2nc(C(C)(C)C)ccc2CNC(=O)Cc2ccc3c(c2)OCO3)CC1 1911584992 DAAPZZVAJSQFAX-UHFFFAOYSA-N 423.557 4.203 0 1 HIAF CC1=C[C@H](CNC(=O)N2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356775090 HXNIOUHGZFLWBL-HBMCJLEFSA-N 424.589 4.012 0 1 HIAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@@H]1C(=O)c1c(O)c(-c2ccc(O)cc2)cn(O)c1=O 2356797997 OSEPAFFUHRIZFR-NFFAPHIWSA-N 409.482 4.221 0 1 HIAF CC(C)CC(=O)OC[C@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1[C@@H](O)C=C1C(=O)OC[C@@H]12 2356805247 ZQQHCEMYZRTQFU-MWMTWDMNSA-N 418.574 4.279 0 1 HIAF CC(=O)c1ccc(-c2cc(NS(=O)(=O)c3ccccc3C)c(C(=O)O)s2)cc1 3654634 GZABBCGORNZLBS-UHFFFAOYSA-N 415.492 4.425 0 1 HIAF Cc1oc(-c2ccccc2)nc1Cc1cc2cc(C[C@H]3OC(=O)NC3=O)ccc2o1 3824066 KRRBFJPDQWHBRI-HXUWFJFHSA-N 402.406 4.165 0 1 HIAF CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1)c1ccccc1 4036603 ISGDZMLOQTTWDE-GMAHTHKFSA-N 419.550 4.483 0 1 HIAF COc1ccc(CC2=C(c3ccc(C)cc3)C(=O)O[C@]2(O)c2ccc(OC)cc2)cc1 13740971 OKZRQVZTVLKRLK-AREMUKBSSA-N 416.473 4.411 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3CCC(O)CC3)CN(C)[C@@H]1C2 27517937 NIKORHQFCQVBNS-MRMDNLSOSA-N 410.558 4.029 0 1 HIAF CCCN1N=C2/C(=C/c3ccc(OC)cc3)C[S@](=O)C[C@@H]2[C@@H]1c1ccc(OC)cc1 29308427 QIQPCXWPRNOEQS-JIZLXTJWSA-N 424.566 4.289 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(O)c1 36189324 NOUYCYGNOBPMES-MNLGXKRNSA-N 408.542 4.244 0 1 HIAF CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3ccccc3F)CC2)o1 53314323 XMSVTTNFUQABMY-UHFFFAOYSA-N 422.548 4.345 0 1 HIAF CCCCNc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccc(F)cc2)n1 82141314 ASKAIHDNUQCTHO-UHFFFAOYSA-N 422.504 4.476 0 1 HIAF CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCCN1CCCC1=O 82188717 NIHVDEYJLJAOAM-GOSISDBHSA-N 420.561 4.178 0 1 HIAF CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4cnccc4s3)ccc12 95594755 FCVJBHCSSQVABJ-HOTGVXAUSA-N 420.494 4.035 0 1 HIAF CN1C(=O)CCc2ccc(NC(=O)N[C@H]3CC4(CCC4)Oc4ccc(F)cc43)cc21 144027605 MWZDLDGIEWWGIU-SFHVURJKSA-N 409.461 4.303 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CN(S(C)(=O)=O)CCC[C@]34C)[C@@H]1CC=C2n1ccnc1 169276691 LDSRKPGJDDHJGR-WAUHAFJUSA-N 417.619 4.248 0 1 HIAF CCOC(=O)C1=C(CC)N=C(CC)[C@@H](C(=O)OCC)[C@H]1c1cccc(-n2ccnc2)c1 169714469 NTDPJPABTWNXFD-NHCUHLMSSA-N 423.513 4.227 0 1 HIAF O=C1N[C@@H](Cc2ccccn2)COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 206191154 IGZQYWCJKKQMNN-KRWDZBQOSA-N 414.383 4.381 0 1 HIAF C[C@H](CN1CC[C@](C)(c2cccc(O)c2)[C@@H](C)C1)N(C)C(=O)CCc1ccc(O)cc1 253639251 VFXDHFJSVIUCGU-UNVFRBQDSA-N 424.585 4.177 0 1 HIAF Cc1cccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)c1 299855264 AVIBDSHVTBXTQH-LADGPHEKSA-N 417.534 4.170 0 1 HIAF NC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2cc(-c3ccccc3)ncn2)CC1 299870038 VTBCNSSPKIHZTL-QFZWGZQFSA-N 414.553 4.309 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 587120121 SECQUSCCVYEGCQ-UHFFFAOYSA-N 412.799 4.145 0 1 HIAF Fc1ccc(-n2nnc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2C2CC2)cc1 587167796 DYHAGZPQBJXVQS-UHFFFAOYSA-N 403.396 4.152 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@H](C1)N3C(=O)OCc1ccccc1)O2 587398794 HVIRXLUGSJVFNL-QLCVBSLISA-N 406.482 4.245 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCc4ccccc4)CC1(C)C)[C@@H](C2)C3=O 587438749 QVNSUFLIAJYYML-UQBPGWFLSA-N 421.493 4.250 0 1 HIAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587449884 JUBBBIOLPJZGPF-CPJSRVTESA-N 400.430 4.279 0 1 HIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1OCCO 587595189 JTRKVQFABYTHNL-YKSBVNFPSA-N 406.434 4.083 0 1 HIAF CSc1ncc2c(n1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612095 IVGJGUZUXVSHSU-PGRDOPGGSA-N 406.463 4.098 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2cccnc2)N1 587763543 JXRXQCNFWOKPSG-JEOXALJRSA-N 401.283 4.007 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3n(C)c2=O)N1 587771974 UWUCHLWRGVYDRJ-JEOXALJRSA-N 401.279 4.064 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587793585 RDXJWARSUIQVFU-LZVRBXCZSA-N 409.299 4.333 0 1 HIAF Cc1nn(CCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1Br 587873179 VOOYAYMIICIVLA-UHFFFAOYSA-N 405.227 4.101 0 1 HIAF Cn1cnnc1SCc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587875849 KKIGEJDQGHMNMV-UHFFFAOYSA-N 407.430 3.904 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587930894 HQGMXDXDFKMAJE-JTSKRJEESA-N 413.543 4.047 0 1 HIAF COc1ccc(-c2cc(C(=O)N3C(=O)OC[C@H]3Cc3ccccc3)c(C)o2)cc1OC 621429350 LYGSIUFJQCMUMT-GOSISDBHSA-N 421.449 4.476 0 1 HIAF Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1 653708692 SHRBHTPWEAXAMR-UHFFFAOYSA-N 416.220 4.343 0 1 HIAF COc1ccc2c(c1)[C@@](c1ccc(Br)cc1)(C1CNC1)N(C(C)C)CC2 962043563 LDTATGPLSZCWMQ-JOCHJYFZSA-N 415.375 4.187 0 1 HIAF CC(=O)c1ccc([C@@]2(C(=O)c3ccccc3)NCCc3c2c(C(C)C)nn3C)cc1 962921986 VEVKOZYJZFSJDK-RUZDIDTESA-N 401.510 4.018 0 1 HIAF Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962958143 NFHPZXFRCWOWLT-BEFAXECRSA-N 403.816 4.005 0 1 HIAF C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)C1=O 1772642913 XLERPYDVNGAEHV-RWXMBLCBSA-N 400.469 4.021 0 1 HIAF COc1ccc(-c2cc(C(=O)NCCN(C)C)c3ccc4c(c3n2)CCCC4)cc1 1857562031 MBWUJSUHBFJQTI-UHFFFAOYSA-N 403.526 4.081 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCCO)cc21 1857586635 NSQDKNLYTBXFAD-UHFFFAOYSA-N 402.494 4.102 0 1 HIAF S=C(Nc1cccnc1)NC1CCN(c2cc(OC3CCCCC3)ccn2)CC1 1857612322 OGJJHCKCHPSGPD-UHFFFAOYSA-N 411.575 4.144 0 1 HIAF O=C(Nc1ccc2[nH][nH]c(=Nc3cccc4ccccc34)c2c1)[C@H]1CCC[C@H](O)C1 1857745892 DYLAMJXLLKYZNV-WMZOPIPTSA-N 400.482 4.371 0 1 HIAF COc1cc2c(c(O)c1C(C)=O)-c1c(C)cc(O)c3c1[C@@H](O2)c1cccc(O)c1C3=O 2356713599 MWSTUXWPIZPLKW-DEOSSOPVSA-N 418.401 4.016 0 1 HIAF CC1=CC(=O)OC1=C[C@H](O)[C@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@H]3C(C)(C)CCC[C@@]32C)O1 2356727495 HXIGCIAAEQXXQZ-LSDLPYBZSA-N 418.574 4.276 0 1 HIAF COc1ccc(-c2cc(NC=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)cc1OC 61929831 WRMCETVYYSMJDY-UHFFFAOYSA-N 415.449 4.456 0 3 HIAF COC(=O)c1ccc(Cl)cc1NC(=O)N1CCC(CN2CCC(C)CC2)CC1 6877208 MGWNOVGPGMJSGR-UHFFFAOYSA-N 407.942 4.102 0 1 HIAF CS(=O)(=O)c1ccc(-c2c(-c3cccnc3)cc(-c3ccccc3)oc2=O)cc1 12352439 KBTNUIBNCVVZKJ-UHFFFAOYSA-N 403.459 4.439 0 1 HIAF CC[C@@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@@H](O)C(C)(C)O2 14585966 ULCACFIDJDAIOB-CXAGYDPISA-N 422.477 4.469 0 1 HIAF biogenic CCC[C@@]1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26480018 OKARPYQDCSPETI-GMAHTHKFSA-N 410.470 4.038 0 1 HIAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)CCC1=CCCC1 26672933 CRRIIWVDPUMLGV-MDBHBZJLSA-N 418.574 4.430 0 1 HIAF Cc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)cc1 28958292 HAVPBEZESXVAHA-UHFFFAOYSA-N 409.507 4.350 0 1 HIAF COc1ccc(-c2cccc(S(=O)(=O)c3cc(C(=N)N)sc3SC)c2)cc1 29038775 YRWCQAPFYKPXTE-UHFFFAOYSA-N 418.565 4.262 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@](O)(C(C)C)C=C3[C@H](OC(C)=O)C[C@H]21 38319539 KQVWNDSMMYPVJY-JGQJCFNXSA-N 406.563 4.421 0 1 HIAF biogenic,in-vitro COc1cc(C(=O)c2sc(Nc3ccc(Cl)cc3)nc2N)cc(OC)c1OC 43014939 TYFRMDNNMTVQGC-UHFFFAOYSA-N 419.890 4.379 0 1 HIAF COCCn1c(-c2ccc(OC)cc2)nc2c(NCc3ccccc3C)ncnc21 82180113 AWKJKMCIROMRRG-UHFFFAOYSA-N 403.486 4.069 0 1 HIAF CCOC(=O)c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(Cl)c(Cl)cc2c1=O 95554551 IQAPHKZZIRYFOM-UHFFFAOYSA-N 406.221 4.407 0 1 HIAF Cc1nn(-c2ccccc2)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1CO2 95589531 WGIBTTKJIJRLPX-QVKFZJNVSA-N 400.434 4.128 0 1 HIAF Cc1cc(O)c(-c2csc(N3C(=O)CS[C@H]3c3ccc(Cl)cc3)n2)c(=O)o1 98081851 PXSVWAQLXYJDOT-INIZCTEOSA-N 420.899 4.209 0 1 HIAF Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c1 101006890 XJARKGGVDJGJMK-WGSAOQKQSA-N 403.530 4.157 0 1 HIAF C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 142906371 BGMHMCCXCXGAEX-UHFFFAOYSA-N 419.535 4.429 0 1 HIAF Cc1cc(-c2cnn(C(C)(C)C(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144896115 VGDWMPFWYNRXKC-NRFANRHFSA-N 416.399 4.457 0 1 HIAF CCCCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 168454191 JWGFOLSRGSVAOC-XMTFNYHQSA-N 417.347 4.132 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2c1 587020757 XRQNKCLDWJNJGH-UHFFFAOYSA-N 413.524 4.367 0 1 HIAF Cc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Br 587085489 WKRWSKZFSSURTH-UHFFFAOYSA-N 406.715 4.461 0 1 HIAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4nc(Cl)ncc4[nH]3)n2n1 587120336 YWBPEVCLCNSNEW-UHFFFAOYSA-N 415.766 4.402 0 1 HIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(O)c4[nH]3)cc2N1 587125238 DBZITVULHLJSJA-LDWIPMOCSA-N 416.201 4.202 0 1 HIAF O=S(=O)(O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587151606 RZSJLDJBRYLXIP-LJQANCHMSA-N 416.405 4.256 0 1 HIAF Cc1c([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1C 587326454 CAMBBQJGLYYVCH-GHTZIAJQSA-N 402.372 4.093 0 1 HIAF CCOC(=O)C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338946 PAYHYIMIOUVRDB-ISKFKSNPSA-N 421.424 4.134 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(N)c(Cl)cc41)[C@@H](C2)C3=O 587423564 VTLBVQCLPMGRFG-BXKMTCNYSA-N 417.848 4.166 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1-c1cccnc1)[C@@H](C2)C3=O 587430761 GSLDLUKDGHHGOZ-FNZWTVRRSA-N 423.472 4.491 0 1 HIAF COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587597355 YVCPTJOWPHAFDA-OFNKIYASSA-N 408.406 4.121 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Br)s1 587610366 FORJFENULVJBCU-CZUORRHYSA-N 404.241 4.314 0 1 HIAF CCOC(=O)[C@H](C)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587703212 GGHWWZJGWHQPND-CEFVDNRUSA-N 412.221 4.079 0 1 HIAF CC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587710577 SWSOPXZQJNNIHB-FUXBKTLASA-N 418.175 4.494 0 1 HIAF CC(C)NC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587756503 QXLGYPOVQPVFIT-BLVKFPJESA-N 405.311 4.350 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c(O)nc2-c2ccccc2)N1 587793651 SAVJRLUPSXIULD-QGHHPUGFSA-N 402.267 4.308 0 1 HIAF Cc1cc(NCCCCNc2ccnc3cc(Cl)ccc23)nc(NCCCO)n1 653912207 PDHRWLBYLQPHGE-UHFFFAOYSA-N 414.941 4.085 0 1 HIAF CC(=O)n1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c2ccccc21 962699299 IKBYDBJKUBUICC-PKOBYXMFSA-N 420.362 4.148 0 1 HIAF NC(=O)N1CCc2sccc2[C@H]1C[C@@H]1CCCCN1C(=O)OCc1ccccc1 962713915 PWKBRUWGFDDIJH-PKOBYXMFSA-N 413.543 4.307 0 1 HIAF CC1CCC([C@@]2(CCC(=O)O)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CC1 962982306 WXSBTNMAERRXCO-MSRDOEKRSA-N 415.864 4.104 0 1 HIAF COC(=O)c1cc(Br)cc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963103332 KVILPFVPWYOBCS-QFBILLFUSA-N 404.279 4.485 0 1 HIAF COc1cc(NC(=O)C[C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc(OC)c1 963118644 GMGGLCOARJAHJN-HXUWFJFHSA-N 409.313 4.400 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CC(C)(C)C(=O)O)c1cccc(F)c1 963603291 CDQYQCPBBBBQMG-QKFKETGDSA-N 401.478 4.122 0 1 HIAF CCSc1sc(C(=O)OC)c2c1[C@@]1(CC(C)(C)C2)c2c(cnn2C)CCN1C 963954104 GTVWXQLXRDYUIC-NRFANRHFSA-N 419.616 4.084 0 1 HIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=C3CC[C@]2(O)C1)CC[C@@H]4[C@@H]1C=CC(=O)O1 2356704340 PVFIGYYARZNHQO-GNGNJBALSA-N 414.542 4.238 0 1 HIAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl)N1CCOCC1 772248 FOZLSYYYKUJSRE-HKUYNNGSSA-N 423.271 4.083 0 1 HIAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1ccccc1 1863288 DEFIUIMCPXKHQD-ADLMAVQZSA-N 411.310 4.066 0 1 HIAF COc1ccc(NC(=O)COc2ccc3oc(-c4ccccc4)cc(=O)c3c2)cc1 1977969 NYASZLITDGLUFB-UHFFFAOYSA-N 401.418 4.486 0 1 HIAF CCCN(CCC)c1c(C)nc(-c2c(OC)cccc2OC(F)F)n(CC)c1=O 13536188 WWGPETIWHIIOCU-UHFFFAOYSA-N 409.477 4.475 0 1 HIAF CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(C(C)=O)c3)o2)c1 13611321 QCQOWGLVUUYDQD-UHFFFAOYSA-N 400.456 4.090 0 1 HIAF CCCCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)cc1 27424686 NXJVTHHBYPFNEV-UHFFFAOYSA-N 403.548 4.280 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3CCC(=O)CC3)CN(C)[C@@H]1C2 27519174 OPRMTQOPGCSFLB-FRGLQRNOSA-N 408.542 4.237 0 1 HIAF COc1ccc([C@H]2CN(C)Cc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1 28883681 OLQOHRMMVIEWDK-XMMPIXPASA-N 409.574 4.167 0 1 HIAF O=C(CC1CCNCC1)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1cccc(O)c1 38346953 UMURMRMRPSZQBP-XMMPIXPASA-N 423.944 4.391 0 1 HIAF COC(=O)[C@@H](N)C[C@]1(C)C[C@H]2CC[C@@H]1C[C@H]2C(C)(C)CCNC(=O)CCC(C)C 40587819 UASYBMLHVWZBST-WRVPFMQZSA-N 408.627 4.288 0 1 HIAF O=C(O)c1ccc2nc(-c3ccc4c(c3)OCO4)c(-c3ccc4c(c3)OCO4)nc2c1 71281650 VFOLOXOZHUKGAV-UHFFFAOYSA-N 414.373 4.119 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccccc1F 82152722 BNTRUSGOKWQYGP-INIZCTEOSA-N 422.504 4.474 0 1 HIAF Cc1ccc(-c2nc3c(NCc4cccc(F)c4)ncnc3n2C[C@@H]2CCCO2)o1 82181651 ZXZXQFLVZQNDQV-KRWDZBQOSA-N 407.449 4.325 0 1 HIAF COc1cccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c1 95566079 ZXFOOKCZJBIYAK-UHFFFAOYSA-N 401.869 4.149 0 1 HIAF C[C@@H](NC(=O)[C@@H](N)C1CCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 96167869 ZFIDLIZAQNLPSV-JXFKEZNVSA-N 402.431 4.317 0 1 HIAF C[C@]1(O)CC[C@H](Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 113132400 YVGAENJCKBRBJB-QUWSVYMGSA-N 406.408 4.400 0 1 HIAF O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 147903319 DGVPWHORJWLKNC-BGYRXZFFSA-N 404.901 4.005 0 1 HIAF O=C(CCc1ccccc1Cl)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168310365 UZTQLORHSMYTMB-UHFFFAOYSA-N 421.928 4.464 0 1 HIAF COCCN1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O 195466679 WWPQRNIXPZCCMI-REGGBESESA-N 408.542 4.443 0 1 HIAF COC[C@H]1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1 207368509 WSVNIAQPDBBVAE-GOSISDBHSA-N 400.486 4.150 0 1 HIAF C[C@@H]([C@@H]1C[C@@H]1C(=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@]12C 299848605 SPBCVLSZAPVLJN-UKAXDUQJSA-N 404.591 4.334 0 1 HIAF S=C(Nc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 504249186 KLOZPBAJHPVGHH-YZVAWVHESA-N 411.571 4.007 0 1 HIAF biogenic Oc1ccc(C2(c3nc4c(Br)cnc(Cl)c4[nH]3)CCOCC2)cc1 586912107 DQWQAPBCWKTTOE-UHFFFAOYSA-N 408.683 4.176 0 1 HIAF O=S(=O)(NCCc1nc2ccc3c(c2[nH]1)CCCC3)c1c(Cl)cccc1Cl 586942545 NUIYLTJEKORRDI-UHFFFAOYSA-N 424.353 4.270 0 1 HIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)c(C)nc2[nH]1 586972578 INBBIQNPECBBEP-MRXNPFEDSA-N 419.348 4.139 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnc(Cl)[nH]c-3n2)C[C@H]2CCCC[C@@H]21 587024990 DIXXQCLSZLUQNO-SNPRPXQTSA-N 401.923 4.094 0 1 HIAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587076702 LVPIUUQNXPOAIK-UHFFFAOYSA-N 413.886 4.445 0 1 HIAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083299 MVZYXADZMGLSCC-UHFFFAOYSA-N 421.309 4.335 0 1 HIAF COC(=O)c1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182228 GCGVVYXFNVQYQI-UHFFFAOYSA-N 412.614 4.275 0 1 HIAF NS(=O)(=O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1Cl 587209646 RLOWVYQUTMALJT-UHFFFAOYSA-N 420.877 4.414 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C(=O)O)[C@@H]3C(=O)O)c1 587365030 CMJHCAUGBRJMSC-KSSFIOAISA-N 403.390 4.082 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)c(O)nc1C)CC2=O 587457828 NWIMMAJYJNMVBV-IBGZPJMESA-N 406.276 4.397 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1ccc(Br)cc1)CC2=O 587459007 VSEWXBMAXXSQLF-HXUWFJFHSA-N 419.271 4.141 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccn(CC)n3)cc1)CC2=O 587474104 BCKAGRXETKGWJD-JOCHJYFZSA-N 420.465 4.487 0 1 HIAF CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517769 UVOZMPVQOTUPSP-XDHUDOTRSA-N 415.530 4.315 0 1 HIAF CC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2C1 587582703 NOYITSPABJUFKK-RCZVLFRGSA-N 415.445 4.002 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cnccn2)N1 587737099 WMKZIGCDMHIPSD-ODXCJYRJSA-N 416.269 4.343 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(Cc3ccccc3)c2)N1 587758942 JULXJQQHJUGASM-RNODOKPDSA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCn3c(O)nc4cccc2c43)N1 587775965 ALWHYRNDPHNSRI-YBTHPKLGSA-N 416.294 4.215 0 1 HIAF COC(=O)[C@@H]1CC[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587810706 VRDMQHYLNMAFLD-QURLWZIUSA-N 418.306 4.416 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C(=O)O)c3ccccc32)N1 587826326 KLTGJDIODVJAMY-FYYVMTAXSA-N 404.279 4.328 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCC(=O)Nc1ccccc1 587867690 MQKUCVRALWCWBO-UHFFFAOYSA-N 418.375 4.032 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(N(C)C)cc1 587869346 HGECIGFXGNHVFZ-UHFFFAOYSA-N 421.448 4.284 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1ncc(Br)c1C 587869921 USNCHENGTWIMSE-UHFFFAOYSA-N 421.270 4.086 0 1 HIAF COc1cc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc(OC)c1OC 587876863 VKVBFWOIPXOUTP-UHFFFAOYSA-N 401.419 4.066 0 1 HIAF COc1ccc(Cc2cnc(NC(=O)[C@@H](C)Sc3nc(C)cc(C)n3)s2)cc1 653704224 UAXRDCVBYWKCGT-CQSZACIVSA-N 414.556 4.269 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@H]2c1nc2c(C)cccn2c1Br 963269924 MTBQVFDFVNGZSO-OAHLLOKOSA-N 406.711 4.302 0 1 HIAF COC(=O)c1cc([C@@]2(CC(C)C)c3cccc(Br)c3CCN2C)c[nH]1 963279298 GJSLVIAINQFVDM-FQEVSTJZSA-N 405.336 4.341 0 1 HIAF CCCCNC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCCC 12726711 ILIZGCGEHYRQPO-UHFFFAOYSA-N 409.939 4.290 0 3 HIAF COC(=O)c1ccc(CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2N)cc1 2523531 KIQJHWVSHGLKPZ-UHFFFAOYSA-N 409.298 4.045 0 1 HIAF COc1ccc([C@@]2(O)OC(=O)C(c3cccc(OC)c3)=C2Cc2ccccc2)cc1 13761537 GVDXSUKFBRQDFV-RUZDIDTESA-N 402.446 4.102 0 1 HIAF Cc1nc([C@H](C)NC2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)cs1 14881932 ZQXCYJGRNVJPBJ-INIZCTEOSA-N 412.603 4.444 0 1 HIAF Cc1ccc(N)cc1O[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C 28135462 FWUYYBWBYUCJNY-HSZRJFAPSA-N 422.573 4.351 0 1 HIAF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1OC(C)(C)[C@H](O)C2 40861664 WJBWITXUNBMVLF-RBBKRZOGSA-N 424.493 4.387 0 1 HIAF biogenic CCCNC(=O)CCCc1nc(-c2nc(C)cs2)c(-c2ccc3c(c2)OCO3)[nH]1 73294494 HBUAJJJQBBUUPI-UHFFFAOYSA-N 412.515 4.086 0 1 HIAF COc1cc2nc(N3CCCC3)nc(NCc3c(F)cccc3F)c2cc1OC 82128976 QETIWGPENMFYFI-UHFFFAOYSA-N 400.429 4.138 0 1 HIAF Cc1ccccc1C(=O)NCC1CCN(CCOc2cccc3c2CCCC3)CC1 95576110 WROSDDCNYWWULD-UHFFFAOYSA-N 406.570 4.395 0 1 HIAF O=C(Nc1ccn(-c2ccc(F)cc2)n1)c1nc(C2CC2)ccc1Nc1cncnc1 96167379 MEACDJJXITUJJS-UHFFFAOYSA-N 415.432 4.070 0 1 HIAF CSc1cccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 167857723 NNJPRFSUMZUUFO-UHFFFAOYSA-N 405.523 4.214 0 1 HIAF CN1C(=O)CCc2cc(-c3cncc(COc4ccnc(C(F)(F)F)n4)c3)ccc21 220969025 GCLKCCAODUKHIJ-UHFFFAOYSA-N 414.387 4.045 0 1 HIAF Cc1ncsc1CNc1cnc(-c2ccc3c(c2)OCCO3)c(-c2cnn(C)c2)c1 230563958 KJNMBGYKPSXCFI-UHFFFAOYSA-N 419.510 4.297 0 1 HIAF COc1ccc(-c2nc3n(n2)-c2cc(C)ccc2N(C(=O)Cc2ccccc2)C3)cc1 299827291 GCJFGIQPHWGNTN-UHFFFAOYSA-N 410.477 4.341 0 1 HIAF Cc1cc(N[C@H]2CCc3ccc(Br)cc3C2)n2nc(C(C)(F)F)nc2n1 584905325 WSMWEZWUWJDREU-AWEZNQCLSA-N 422.277 4.276 0 1 HIAF in-vitro O=S(=O)(CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc2c(c1)CCC2 586921095 XLAURQFPVFIIPS-UHFFFAOYSA-N 412.408 4.226 0 1 HIAF COC(=O)c1ccnc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc12 586977234 ZZDWLBDAUPYWGF-UHFFFAOYSA-N 401.047 4.481 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587036563 GEUPIKJOBQITFC-KRWDZBQOSA-N 407.586 4.034 0 1 HIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 587041506 WGVVDKCLTFMXTB-QMMMGPOBSA-N 419.732 4.356 0 1 HIAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587223791 GEGKVTJXFODHAB-QGZVFWFLSA-N 401.466 4.226 0 1 HIAF COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441787 IOQRABORRAIITK-NLFFAJNJSA-N 416.429 4.093 0 1 HIAF CCOC(=O)[C@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598761 VEEZKNHDRBGRAJ-PXDATVDWSA-N 418.445 4.429 0 1 HIAF CC(=O)Nc1cccc(C(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1 587622435 BEUCGWZOMLHMKQ-UHFFFAOYSA-N 411.259 4.305 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)(F)C(F)(F)F)N1 587708820 DYMVDBFTEAAPML-UHLUBPPHSA-N 418.175 4.494 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)NC3CC3)cc2)N1 587742142 JOYDSMVQDJRLBI-NSPYISDASA-N 403.295 4.104 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCOC3=O)c2)N1 587764995 HXQUPFFOSJDMED-YUNKPMOVSA-N 419.294 4.343 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncn2)(c2ccccc2)N1 587777402 HGQZEICNIQTNGI-SZNDQCEHSA-N 412.306 4.399 0 1 HIAF Cc1cc(C)c(C)c([C@]2(CCCC(=O)O)N[C@H](C(=O)O)Cc3cccc(F)c32)c1C 962906120 XBXVNJKQINDYPV-CYFREDJKSA-N 413.489 4.157 0 1 HIAF Cc1cc(=NC(=O)C2=NN(Cc3ccc(Cl)cc3Cl)[C@H]3CCCC[C@H]23)cc[nH]1 1772587613 KYTWPSNBOPLVOE-HKUYNNGSSA-N 417.340 4.488 0 1 HIAF COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)C(F)(F)F)C3)cc1Cl 1772603615 BMTQSGFIGGOBJH-UHFFFAOYSA-N 415.795 4.308 0 1 HIAF O=C(COc1ccc(-c2nc(O)c3ccccc3n2)cc1O)Nc1ccc(Cl)cc1 1857587309 ORBGCVYVZJFTBY-UHFFFAOYSA-N 421.840 4.379 0 1 HIAF CN(C)C1=N[C@@H](c2ccc3cc(OCc4ccccc4Cl)ccc3c2)NC(=N)N1 1857653784 PSUDTGDAZWEGFZ-FQEVSTJZSA-N 407.905 4.116 0 1 HIAF Cc1cc(=O)oc2cc(OCc3cn(-c4ccc(OC(F)(F)F)cc4)nn3)ccc12 1857748525 ZRAYRMUZAREJIZ-UHFFFAOYSA-N 417.343 4.160 0 1 HIAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1OC 774734 WPAZTZAIGOXCPH-CYBMUJFWSA-N 400.862 4.171 0 1 HIAF CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C[C@H](C(C)(C)O)O2 3645832 LKFQSODZCVNSSG-LJQANCHMSA-N 422.477 4.454 0 1 HIAF biogenic,in-vitro CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OCC)cc1 4041540 QDZOWAYJZYOLLW-GMAHTHKFSA-N 409.530 4.159 0 1 HIAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CC(C)C 13559121 KKQUPLHXYMAZOT-KRWDZBQOSA-N 422.570 4.012 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CC(=O)NCc1cccnc1)C2=O 13681871 BTPQVHAQGIEPTN-DXBKKHHHSA-N 418.537 4.145 0 1 HIAF COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1O 14435640 CAUANPLJFMVCHO-QVBLYVSOSA-N 404.459 4.217 0 1 HIAF endogenous,in-man O=[N+]([O-])OCCCO[C@@]1(c2ccc(-c3ccccc3)cc2)CN2CCCC[C@@H]2CO1 27619741 GBXOBAOTOKUUGH-PKTZIBPZSA-N 412.486 4.006 0 1 HIAF COC(=O)[C@@]1(c2ccccc2)C[C@@H]1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 29546241 ZQZLNUMNWMAXIZ-FBTKROQGSA-N 405.538 4.047 0 1 HIAF CC(C)c1c(-c2ccc(OCc3ccccc3)cc2)cnc2c(-c3nnn[nH]3)cnn12 34820077 CGCUUBBQFCGLJG-UHFFFAOYSA-N 411.469 4.279 0 1 HIAF COc1ccc(Cn2c([C@H]3CCCN(C4CCOCC4)C3)nc3ccccc32)cc1 49112986 WLXTZKAROJEVMI-FQEVSTJZSA-N 405.542 4.452 0 1 HIAF C[C@@](O)(c1ccc(N(C2CC2)S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F 84711940 MNXOAOBJRFXYOB-QGZVFWFLSA-N 419.852 4.468 0 1 HIAF COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc2c1OCO2 85861152 ISBKEYQPAWAMRF-MWRFHTASSA-N 400.427 4.246 0 1 HIAF biogenic,in-vitro COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)[C@H]2COc3ccccc3O2)cc1 95563179 JCSMWROUIBBVBP-XUZZJYLKSA-N 414.461 4.213 0 1 HIAF C[C@]1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CC=CCC1 207165574 ATXBXAASZBRHJG-NRFANRHFSA-N 407.507 4.050 0 1 HIAF CCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220201435 FDMPGPNYXCYCQJ-HXUWFJFHSA-N 422.916 4.191 0 1 HIAF COCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 299883945 SFZXCDVQXQADOE-FRTACKCFSA-N 422.573 4.311 0 1 HIAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C)c(Br)cc2[nH]1)C(C)C 586933487 SSUOULKWYGWSBX-HNNXBMFYSA-N 402.358 4.050 0 1 HIAF CC(C)Oc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586969908 QBCKMVRSWWLCPO-UHFFFAOYSA-N 410.455 4.421 0 1 HIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)c21 587032973 OIQOLDNAIFPRNE-LBPRGKRZSA-N 412.540 4.169 0 1 HIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)n1 587342056 YKXGTNMGINKMPI-REWPJTCUSA-N 409.413 4.218 0 1 HIAF CCOC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C 587343327 JSHBWCHCSADEOS-CVDCTZTESA-N 413.445 4.270 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OC[C@H]1CCCO1)[C@@H](C2)C3=O 587420717 QYYZMQKQWAHHEY-AOSWFRPUSA-N 400.858 4.395 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCCOC)([C@H](C)NC(=O)OC(C)(C)C)CC2=O 587469105 IGVJZQHDSMBOKE-WNSKOXEYSA-N 421.534 4.389 0 1 HIAF C[C@@]1(c2cc(F)c(N)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559586 XOYAYIUOSIUDNQ-VFNWGFHPSA-N 401.340 4.269 0 1 HIAF C[C@@]1(CC(=O)NC2CCCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576683 HPZXFAOMVMCAQI-QPPBQGQZSA-N 409.482 4.342 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC(O)CC2)cc1 587582887 OVYKKCZVNCSHNF-WIOPSUGQSA-N 417.461 4.056 0 1 HIAF O=C(O)CCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595652 LQBVPYWQDGXURW-QPPBQGQZSA-N 420.417 4.339 0 1 HIAF CC(C)OC(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587704696 JLELCMYJGVPXQU-VFZGTOFNSA-N 412.221 4.222 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccccc3)c2)N1 587758941 JULXJQQHJUGASM-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF COc1ccc([C@]2(CC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587806701 IKDVVWQPDUYBAU-YUNKPMOVSA-N 406.295 4.354 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OC[C@H]3CO3)c2)N1 587835986 YIDAKEYXJYYOSW-QROBEVECSA-N 406.295 4.164 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 587871403 VSFWERBHGYVYBD-UHFFFAOYSA-N 421.350 4.386 0 1 HIAF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](CC)(CSC)N2C(=O)OC(C)(C)C 962711853 QQTPNUSSPYBVGS-FCHUYYIVSA-N 423.550 4.445 0 1 HIAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1OCc1ccccc1 962891343 DLZNYBISZMRBCX-REWPJTCUSA-N 407.441 4.102 0 1 HIAF COc1cccc([C@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1N 962958793 PGUYISKTXRBIHC-FQEVSTJZSA-N 406.448 4.211 0 1 HIAF COc1cc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1SC(F)(F)F 963019151 DSDMDOSWBGDUNS-BUXKBTBVSA-N 408.445 4.450 0 1 HIAF COc1c2ccoc2nc2c(OC)c(OCC=C(C)CC[C@H](O)C(C)(C)O)ccc12 2356600571 PTGOUHPHIRZGKO-SFHVURJKSA-N 415.486 4.235 0 1 HIAF CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](C)[C@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356705932 JVNDWNJCKQLUBH-MOOWWSGRSA-N 420.546 4.289 0 1 HIAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@@H](O)C[C@H](CO)CNC)CC1 2356776202 RFXLKVTYRRYTBK-QCBQRGATSA-N 411.627 4.379 0 1 HIAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)O[C@H]3CCCC[C@@H]32)cc1 95568606 UNPAQNBHMGZKAF-BVSLBCMMSA-N 417.502 4.065 0 3 HIAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4051579 QXSMWXUTFDQBEL-UXOGBEFXSA-N 418.896 4.094 0 1 HIAF CC/C=C\CO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13642022 NFJUISWVZRMNFR-CHYADLBTSA-N 409.305 4.348 0 1 HIAF O=C(O)C[C@](O)(CSCCCC/C=C\c1ccc(Cl)cc1Cl)C(=O)O 13758180 QIPBDFRVBPUFTR-IVZVJUQRSA-N 407.315 4.201 0 1 HIAF COC(=O)c1c(-c2ccccn2)n(Cc2ccc(C)cc2)c(-c2ccccn2)cc1=O 28971184 PECTUIOIJBJALN-UHFFFAOYSA-N 411.461 4.116 0 1 HIAF CCc1cc(-c2ccc(C(=O)CCC(=O)NCCc3cccnc3)cc2)ccc1O 29123332 DYENNJVQHCPUJB-UHFFFAOYSA-N 402.494 4.338 0 1 HIAF CCN(CC)c1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29132376 KAJVNXBRUJUOML-UHFFFAOYSA-N 416.572 4.067 0 1 HIAF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)N(c3ccccc3)C2)cc1 29474084 SLWFGNQOCSTYTG-UHFFFAOYSA-N 407.466 4.187 0 1 HIAF CCN(CCCCC(C)(C)F)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 39162781 IABSGNPGMOGYMD-IBGZPJMESA-N 402.576 4.112 0 1 HIAF FC(F)(F)c1ccc(N2CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)nc1 40564321 DVBQWQKKKHWKFL-UHFFFAOYSA-N 415.341 4.322 0 1 HIAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]2CC[C@@H]1C2 100805480 YVESRZGVNDKKMK-AFHBECGJSA-N 411.951 4.234 0 1 HIAF COc1ccccc1OCCNC[C@H]1COC(c2ccccc2)(c2ccccc2)CO1 142178648 DSZAPUPSEUYRJU-QHCPKHFHSA-N 419.521 4.023 0 1 HIAF CC1(C)Oc2ccc(-c3cccc(C(F)(F)F)c3)cc2[C@]2(COC(N)=N2)C12COC2 149406520 LRUHIAIIFSMMGU-OAQYLSRUSA-N 418.415 4.100 0 1 HIAF CC(C)/C=C/C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167281239 LILPXEOGFCIYHQ-FPYGCLRLSA-N 416.525 4.457 0 1 HIAF C[C@H](CSc1nnc(-c2ccncc2)s1)C(=O)NCc1ccccc1Cl 473085555 XUYZLUWSWSMPJZ-GFCCVEGCSA-N 404.948 4.298 0 1 HIAF CC(C)Oc1cc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2cc1Br 586926254 MOYMEZCUARRPGG-UHFFFAOYSA-N 409.305 4.183 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Sc3ncccn3)nc2c1 586960798 CMNZBDUNBMBWLP-SECBINFHSA-N 407.293 4.145 0 1 HIAF COc1cc(OC)c2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc2c1 586961230 SZDNSIHIPUONTP-RUZDIDTESA-N 423.332 4.083 0 1 HIAF CCn1cc(Br)c(Cc2nc3cc(F)cc(Br)c3[nH]2)n1 586999579 BMJGNSIWJHLJTJ-UHFFFAOYSA-N 402.065 4.034 0 1 HIAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1)c1ccc(F)cc1 587170076 NTTNWTWRSULOQL-SFHVURJKSA-N 417.412 4.048 0 1 HIAF CCOC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587336213 JPMHVBQBWWXPAK-ZJSXRUAMSA-N 421.424 4.377 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3ccc(Br)cc3c1=O)O2 587373330 UCXLQJUEWWUKDD-QGZVFWFLSA-N 400.228 4.153 0 1 HIAF CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587401894 ZGGMYNFGTKAADU-RUZDIDTESA-N 417.461 4.113 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cn3c(Br)cccc3n1)CC2=O 587457754 CGLMJSCBXFIAQO-MRXNPFEDSA-N 401.260 4.461 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)NC3CC3)cc2)N1 587739606 BPOXZQSZTJKXHF-JEOXALJRSA-N 403.295 4.104 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CCN(C(=O)OC(C)(C)C)C2)N1 587771268 FVMMYMPHCBCPOL-BUXKBTBVSA-N 411.315 4.125 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCOCC2)N1 587775132 QXQRXQQFAKLJSX-RBZFPXEDSA-N 405.311 4.048 0 1 HIAF CC(C)Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587793294 NIPPUAVAHJBGKT-FKIZINRSSA-N 408.311 4.491 0 1 HIAF COc1cc(/C=C/C(=O)N[C@@H](CO)Cc2ccccc2)ccc1OCc1ccccc1 621429412 ZNQDAZJGESQNTK-SERSOLAASA-N 417.505 4.007 0 1 HIAF Cn1cccc1CN1CCc2sccc2[C@]1(CC(=O)CCCO)c1ccccc1 962398359 NAWYUTBAABHICO-DEOSSOPVSA-N 408.567 4.120 0 1 HIAF COc1ccc2c(c1OC)[C@]1(CCCc3c1cnn3-c1ccc(F)cc1)N(C)[C@H](C)C2 962572146 PQCRITQPNJPKEG-PUAOIOHZSA-N 421.516 4.485 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)N(C)c1c(C)cc(Br)cc12 962946188 KOUHUVWIJIYKGE-JLCFBVMHSA-N 424.342 4.383 0 1 HIAF C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc(C(N)=O)cc4)cc3c21 1772620228 IUDIKPNVSLVFJM-AWEZNQCLSA-N 411.440 4.494 0 1 HIAF COc1cccc([C@@H](c2ccc(O)c(OC)c2)[C@@H](CO)c2ccc(O)c(OC)c2)c1 2356406872 JCCPWOFLCPSRGA-CYFREDJKSA-N 410.466 4.032 0 1 HIAF CC(=O)O[C@@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@@H]3C=C(C)CC[C@@H](OC(C)=O)[C@@]21C 2356498648 ZJOXMWJKQWLNFX-YWCCWUOUSA-N 416.514 4.194 0 1 HIAF c1ccc(CO[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NCc2ccc(-c3ccccc3)cc2)cc1 2356871450 YBDVCZUJQMFVNM-VEYUFSJPSA-N 401.506 4.195 0 1 HIAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)O[C@@H]3CCCC[C@@H]32)cc1 95568607 UNPAQNBHMGZKAF-NNWRFLSQSA-N 417.502 4.065 0 3 HIAF O=C(O)c1ccc(NC(=O)c2cc3cc(Br)cc(Cl)c3oc2=O)cc1 58506273 NWDWUKIRRDPYDT-UHFFFAOYSA-N 422.618 4.159 0 1 HIAF C[C@@H]1CCCN(c2ccc(Cl)cc2C(=O)NCCc2ccc(C(=O)O)cc2)C1 27562079 KFVXXANBQKERJF-OAHLLOKOSA-N 400.906 4.247 0 1 HIAF O=c1[nH]nc2c3c(cccc13)N[C@@H](c1ccc(CN3CCC3)cc1)[C@@H]2c1ccccc1 118766928 DDDWCXKAHSQDHC-UPVQGACJSA-N 408.505 4.428 0 1 HIAF COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cc1 61926824 YJPYFLMKZHSRQR-DEOSSOPVSA-N 417.465 4.048 0 3 HIAF C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccc(O)cc3)CC[C@@H]12 26955339 HMUJTAJHDZMXNI-IEFWHFDDSA-N 408.542 4.244 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(nnn2-c2ccccc2)C1 218412000 SQRLNRNKCKCMFY-UHFFFAOYSA-N 406.795 4.138 0 1 HIAF Cc1cc(S(C)(=O)=O)ccc1-c1nncc2nc(Nc3ccc(F)cc3)ccc12 138205667 OYWGHEZXPZHHDI-UHFFFAOYSA-N 408.458 4.286 0 1 HIAF Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 45367692 MJHMGTYNRCLWJK-UHFFFAOYSA-N 418.888 4.472 0 1 HIAF COc1cccc(OC)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 223044005 FIAZRNWKETVBOU-RBUKOAKNSA-N 417.461 4.438 0 1 HIAF COc1cc2nc(N3CCCCCC3)nc(NCCc3ccc(O)cc3)c2cc1OC 82128646 ANNSYTVDCYYZJY-UHFFFAOYSA-N 422.529 4.388 0 1 HIAF Cc1c([C@H](C)[C@@H](C)O)cc(O)c([C@H]2O[C@H](C)[C@@H](C)c3c(C)c(O)cc(O)c32)c1O 198335294 ZYNVVEVIXKFNEJ-JCCUDNOASA-N 402.487 4.222 0 1 HIAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6cccc(F)c6)c5c4CCN3C(=O)[C@@H]12 199739425 LROQIKCBHJBADQ-CUCDBKBVSA-N 405.473 4.054 0 3 HIAF Cc1ccnc([C@H](O)C(F)(F)F)c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144355617 XONWSRGXWACTJV-VCBZYWHSSA-N 419.378 4.497 0 1 HIAF CC(C)(C)C(=O)N1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 144750197 LDPCGEGBHRAVPX-QFIPXVFZSA-N 418.459 4.160 0 1 HIAF Nc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc2[nH]c(C(F)(F)F)nc2c1 149967786 HEZGMTWUCUPINC-UHFFFAOYSA-N 410.359 4.062 0 1 HIAF COC[C@H](C)Oc1cc(CCc2ccccc2F)cc(C(=O)Nc2ccn(C)n2)c1 95598037 AJKXOMWNNCXGFY-INIZCTEOSA-N 411.477 4.010 0 1 HIAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587024337 VXRZLCMQHPJIJO-UHFFFAOYSA-N 418.569 4.493 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C2/C(=O)N(C)c3ccccc32)N1 587772826 XFSNTULQFWTFJZ-IZAMGOIISA-N 415.306 4.398 0 1 HIAF CCOC(=O)[C@H](c1cccnc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587778862 OLAKAQSEUFSCNM-FOPRYUNUSA-N 421.310 4.080 0 1 HIAF COc1cc(OC)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 587116046 LKIQCCDHAIETHD-UHFFFAOYSA-N 402.170 4.423 0 1 HIAF Cc1cccnc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587741093 FYZVWPCXFWYQPT-BLVKFPJESA-N 406.299 4.070 0 1 HIAF COCCc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587849493 AABZFZSHEWLTAJ-MLCYQJTMSA-N 413.356 4.340 0 1 HIAF COc1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2n1 587053408 BYMFADPAEHWRMN-UHFFFAOYSA-N 401.253 4.150 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)NC(=O)OC(C)(C)C 587862359 LKIWIXGWICTRBY-LLVKDONJSA-N 413.396 4.131 0 1 HIAF Fc1ccc2c(c1)C[C@@H](c1nc3c(I)cnc(Cl)c3[nH]1)O2 587175586 ZVDISTZTMQSIOL-JTQLQIEISA-N 415.593 4.031 0 1 HIAF C[C@@]1(c2cc3c(cc2N)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331528 DLJWIQUALMUPQI-GGAORHGYSA-N 407.397 4.117 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(Cl)c(Cl)c4)nn1)[C@@H](C2)C3=O 587420530 QETIEGLJVUPKPJ-HXPMCKFVSA-N 402.237 4.071 0 1 HIAF COC(=O)c1cc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2cn1 587138956 XOUUGYNSHJKUKH-UHFFFAOYSA-N 409.348 4.055 0 1 HIAF CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517811 VRNKDTZTSHVAGI-NVQXNPDNSA-N 419.521 4.359 0 1 HIAF CC[C@@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587757494 VJDDTWHQKNIOFG-ZMZPIMSZSA-N 401.320 4.252 0 1 HIAF COc1ccc([C@@]2(CC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587811073 UXIAFAZZPVIKEZ-MPBGBICISA-N 406.295 4.354 0 1 HIAF Cc1cccc([C@@]2(c3cccc(C)n3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963232541 OJSOBAXDFJKHJI-JYFHCDHNSA-N 409.489 4.137 0 1 HIAF Cc1cc(CN2CCC[C@@H](C)C2)c(C)c([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1 962926254 AUBZFNZSPQPVRK-DWXRJYCRSA-N 419.613 4.472 0 1 HIAF Cc1nn(C)c(C)c1NC(=O)Cc1ccc(-c2cccc(C3CCNCC3)c2)cc1 1772613047 JPCOGBZBRWJABD-UHFFFAOYSA-N 402.542 4.352 0 1 HIAF Cc1cc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2n1CCN(C)C 13611677 ZDLGKEUGSQRZSW-UHFFFAOYSA-N 407.539 4.465 0 1 HIAF COc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1 203006913 XQJHJQZVMBJOHI-UHFFFAOYSA-N 401.268 4.335 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1cccc(F)c1C 203886996 GWKHAWCBJXEWEX-FQEVSTJZSA-N 422.456 4.459 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCC(C)(C)CO 4216549 AKAQRCAMLXFIQG-SFTDATJTSA-N 404.551 4.234 0 1 HIAF Cc1cc(OCCCCCC(=N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1 27900883 AVXDUHUHMVBZAQ-UHFFFAOYSA-N 410.923 4.291 0 1 HIAF CCN1CCC[C@@H](n2cc(S(=O)(=O)c3ccc(Cl)s3)c3cccnc32)C1 28862424 DAXDQRIJYKHPKB-CYBMUJFWSA-N 409.964 4.241 0 1 HIAF Cc1cc(C)cc(COC[C@H](NCC(N)=O)C(c2ccccc2)c2ccccc2)c1 29549981 PEMJJXJCZVQVTB-DEOSSOPVSA-N 402.538 4.096 0 1 HIAF NC(=O)c1ccc2c(c1)CCCN2c1ccc(CN[C@@H]2Cc3ccc(F)cc3C2)cc1 66263305 GETAIAPAYGYKHG-HSZRJFAPSA-N 415.512 4.266 0 1 HIAF FC(F)(F)c1ccc([C@H](NC2CCN(c3ncccn3)CC2)c2cscn2)cc1 72103325 BYOSKNGHDNLBHH-SFHVURJKSA-N 419.476 4.300 0 1 HIAF COc1cc(C[C@@H]2CCCC[C@H]2O)c(Br)c(Br)c1OC 82154571 FQNQZQJJUNTVIK-GXSJLCMTSA-N 408.130 4.322 0 1 HIAF CC(C)(C)CCNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2 82209514 FQLUPSVALMDEQC-HXUWFJFHSA-N 424.589 4.453 0 1 HIAF NC(=O)O[C@@H](CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 95576781 BPFQZUCWIXKIDR-IBGZPJMESA-N 407.436 4.054 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cc2ccc(C)cc2nc1O 101669524 WNBNXHDZQXLGIE-FCKILEINSA-N 410.470 4.450 0 1 HIAF Cc1nc(-c2cc(C(F)(F)F)cnc2Nc2cccc3[nH]ncc23)c2nc[nH]c2n1 113236546 FYIOSJUBTKSKCK-UHFFFAOYSA-N 410.363 4.362 0 1 HIAF C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(O)cc4)CC3)[C@@H]2CC/C(C)=C/CC1 169354694 BFMMRUIXWOLGNQ-OACSCNIMSA-N 410.558 4.139 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1 169692340 RISPKVKBGICOLK-IRXDYDNUSA-N 422.487 4.415 0 1 HIAF COc1cc(CNCCCN2CCC(Cc3ccccc3)CC2)cc(OC)c1OC 299855720 FUKQGROBAPBARO-UHFFFAOYSA-N 412.574 4.147 0 1 HIAF CN(C)Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)o1 473156190 SVZDAICDMQHCIX-UHFFFAOYSA-N 423.856 4.048 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 586962419 WXYNLOYSHJAXSH-JQFCIGGWSA-N 416.934 4.306 0 1 HIAF CCOc1cc(/C=C\c2nc3ccc(CCO)cc3[nH]2)cc(Br)c1OC 586978341 OZGDDUQWASHXGA-ALCCZGGFSA-N 417.303 4.438 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(Br)c3[nH]2)C(F)(F)C1 587132251 OIPFJQJUFHWGCR-SECBINFHSA-N 402.239 4.295 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Cl)nc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587238157 BATJRPWJXIWCQO-YZIJFISFSA-N 406.914 4.166 0 1 HIAF NC1CC(Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C1 587255170 GSXALNFRKBBFJM-UHFFFAOYSA-N 406.383 4.253 0 1 HIAF CN(C)/C=C/[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331055 ADQOCLHOAVHFCW-DZFJBMKJSA-N 404.441 4.256 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc4c(cc32)OCO4)[C@H]1c1ccc(F)cc1 587360082 UIIDHIXLRUSZPA-LADGPHEKSA-N 420.392 4.297 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cc(C(F)(F)F)cn4)cc1)[C@@H](C2)C3=O 587424244 YFKKJLQSECEMRO-JXFKEZNVSA-N 400.356 4.388 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C(=O)N(Cc4ccccc4F)c4ccccc41)[C@@H](C2)C3=O 587428231 YDZFBPPOKSPVCO-BVZFJXPGSA-N 415.420 4.024 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575492 CESJAQBFYURZHL-XUZZJYLKSA-N 401.418 4.154 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c(O)nc1-c1ccccc1 587591558 VYERRTMIHGIYAN-VGSWGCGISA-N 400.390 4.191 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ncccn2)n1 587615970 YFTUZXPSBRAMBN-APWZRJJASA-N 403.419 4.009 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)nc2)N1 587681444 LBCMMSNHCHKHAQ-ANRSDYALSA-N 400.089 4.369 0 1 HIAF Cc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587746248 ZIIAJUGBIJSRRL-HXPMCKFVSA-N 406.299 4.070 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2cccnc2)N1 587754258 LAYKMAMQKRRPAW-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cn3cccn3)c2)N1 587755477 AAGQFBWLJDWJJH-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COC(C)=O 587804636 CAXUEIGXNUEYKF-GIPWTMENSA-N 422.294 4.284 0 1 HIAF Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C(=O)O)=CO2 587838759 OXFAFVYEEZNJLY-BIBXISHDSA-N 418.262 4.035 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cc[nH]c2)[nH]n1 587866297 JGKDHEBCMDXLJQ-UHFFFAOYSA-N 415.375 4.374 0 1 HIAF Cc1ccc2c([C@H]3N[C@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)c(C)n(C)c2c1 962626637 DBJULZVQWJWSBL-PXNSSMCTSA-N 418.415 4.382 0 1 HIAF CN1C(=O)C[C@H]2CN[C@](CCC(=O)O)(c3ccc4ccccc4c3)c3cccc1c32 963014769 AHSZDTQZVZPBMN-AVRWGWEMSA-N 400.478 4.002 0 1 HIAF CC[C@@]1(Cc2ccco2)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963137284 HQZSQSISYKACLH-RUZDIDTESA-N 420.509 4.426 0 1 HIAF C[C@@H](c1cc(-c2ccc(F)cc2)no1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1772587620 LFXFZEPNCVUXHR-YEJXKQKISA-N 414.387 4.042 0 1 HIAF CC(C)COc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@@H]2C(=O)O 1857763908 OOUXWICZLPIOGV-LJQANCHMSA-N 409.507 4.359 0 1 HIAF CC1=CC=C2C=CC(C)=C(C)C[C@H](C)C(=O)[C@@H](C(=O)O)[C@@]3(C)OC(=C1O2)C(O)=C3O 2356617061 PBKVAXUNUBEUPO-LZDHAAFVSA-N 414.454 4.377 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCOC 4152892 BCOVRVQHRCMLER-UPVQGACJSA-N 424.541 4.453 0 1 HIAF Cn1cc(CN2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccnc3)c2=O)c2ccccc21 25429195 QYQRTGBTKFLVCO-QUCCMNQESA-N 410.521 4.021 0 1 HIAF biogenic CCC(=O)Oc1[nH]c2ccccc2c1Cc1c(OC(C)=O)ccc2ccc(=O)oc12 29062041 QGZNPYGEXAMDFR-UHFFFAOYSA-N 405.406 4.106 0 1 HIAF Cc1cccc(Cn2nc3ccccc3c2-c2nc(CNC(=O)OC(C)(C)C)no2)c1 40879992 VSRNWHVLELPIDJ-UHFFFAOYSA-N 419.485 4.468 0 1 HIAF Cc1nn(-c2cccc(S(C)(=O)=O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12 40938526 FPYKYTAARCRYBS-HNNXBMFYSA-N 406.511 4.306 0 1 HIAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc4sccc4c3)sc12 64559530 WDVGWSZBYFZUQJ-AWEZNQCLSA-N 408.552 4.441 0 1 HIAF NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCc2cccc(F)c2)cc1 66264026 ZMVONCRUSPSYFZ-UHFFFAOYSA-N 403.501 4.341 0 1 HIAF CCNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3ccccc3C(F)(F)F)c2)n1 71788622 YACFVOWUVZXLJR-UHFFFAOYSA-N 403.408 4.161 0 1 HIAF C[C@@H](CNc1ncnc2c1nc(C1CC1)n2CC[C@H]1CCCN1C)c1ccccc1 82197250 KGKSPQVSBSVBFU-FXAWDEMLSA-N 404.562 4.404 0 1 HIAF CCNC(=O)Nc1ccc(-c2cncc(N[C@@H](CC)c3cccnc3)n2)cc1OC 139622678 SDIHJBPNBJBGLK-KRWDZBQOSA-N 406.490 4.252 0 1 HIAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142953110 GJIFKHWOYWTPKS-UHFFFAOYSA-N 403.769 4.210 0 1 HIAF CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@H]21 195245767 QIJAKJCZCKPPNN-YYWYGQEZSA-N 417.962 4.011 0 1 HIAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3ccccc3)cc2F)cn1 212179484 ZJMGMAXZJBEBAJ-UHFFFAOYSA-N 420.469 4.333 0 1 HIAF CCc1cccnc1-n1nnc2c1CCN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]2C 225975896 OCPWYQMYUFUHMS-CYBMUJFWSA-N 415.419 4.003 0 1 HIAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(C)=O)[C@@H]2CC[C@@H]1C3 238757589 OQDCKOUFTOKDOD-GCNVISTFSA-N 406.563 4.257 0 1 HIAF endogenous,in-man COc1cc2c(cc1O)[C@H]1C[C@@H](C[C@H]3CCCCN31)OC(=O)C=Cc1ccc(O)c-2c1 254136920 CDTGNBVPXHNHGE-CBGDNZLLSA-N 421.493 4.401 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(C)cc4F)[nH]c3c2)cc1 587146431 LOSIFAPWOTVBMH-UHFFFAOYSA-N 411.458 4.487 0 1 HIAF CCOC(=O)C[C@@]1(Cc2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420486 PZMJDGDSEXNFBY-OPAMFIHVSA-N 400.858 4.031 0 1 HIAF COc1cc2c3c(c1)O[C@](Cc1ccccc1C(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587449885 JUBBBIOLPJZGPF-NBGIEHNGSA-N 400.430 4.279 0 1 HIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587487723 NOCGCJBAUCSWCU-VMDGZTHMSA-N 419.518 4.439 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](C(=O)O)c1ccccc12 587606644 DZQFMABDYMRABQ-VNOPPTIDSA-N 402.402 4.211 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(F)(F)C(F)(F)F)N1 587708819 DYMVDBFTEAAPML-FUXBKTLASA-N 418.175 4.494 0 1 HIAF COC(=O)c1cccc2c1CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587812437 ZCKPSHXVOPOVSH-YBTHPKLGSA-N 404.279 4.099 0 1 HIAF CCOC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc1C 587830696 UCVKNXSNCAXFPG-OVWNDWIMSA-N 410.283 4.464 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)s2)N1 587851840 CVMSMZARHDMGMH-INWYIAFRSA-N 406.118 4.431 0 1 HIAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(-c3ccncc3)nc2)on1 653845443 HGBYKXUDXAJTBP-UHFFFAOYSA-N 400.482 4.497 0 1 HIAF CC(=O)Oc1ccccc1[C@]1(c2cccc(C)c2)NCCc2c1c(C(C)C)nn2C 962918385 IPKVRZVIBKHBTO-VWLOTQADSA-N 403.526 4.215 0 1 HIAF CCOC(=O)[C@]1(c2ccc(Cl)nc2)c2ccsc2CCN1Cc1cccnc1 962995310 MTFITIHHIMJQGU-NRFANRHFSA-N 413.930 4.057 0 1 HIAF O=C1CCc2ccc(OCCCCN3CCN(c4cccc5[nH]ccc45)CC3)cc2N1 1857543519 GLEZZSAETATKRY-UHFFFAOYSA-N 418.541 4.034 0 1 HIAF COc1ccccc1OCCNC[C@H]1OCCOC1(c1ccccc1)c1ccccc1 1857603243 XPLYYMRQGCFSNB-RUZDIDTESA-N 419.521 4.023 0 1 HIAF O=C(N[C@@H](Cn1ccnc1)C(=O)c1ccccc1F)c1ccc(-c2ccccc2)cc1 1857619294 FGVTYQZLDIXXIO-QHCPKHFHSA-N 413.452 4.371 0 1 HIAF CC(C)[C@H]1CCCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857647353 CDYWHQTYQFZHCV-ZWKOTPCHSA-N 400.469 4.328 0 1 HIAF C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)C(Br)=C[C@H]1CC 1857767834 DLYSCTVITFADGS-BJNJABSHSA-N 403.357 4.221 0 1 HIAF COc1ccc([C@@H]2C=CCN(C(=O)C3CC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 18056813 XAPQFFOIGCFEJL-SBUREZEXSA-N 422.500 4.101 0 3 HIAF O=C1N[C@H](Cc2ccccc2)c2nc3cc(F)ccc3c(=O)n2-c2cc(Cl)ccc21 36389178 GABNUOLQDSZRKA-LJQANCHMSA-N 419.843 4.205 0 3 HIAF O=C(CCc1ccncc1)NCC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 606805 JREYCZWMTBZGHK-UHFFFAOYSA-N 421.884 4.123 0 1 HIAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 4055061 GQNUGIAZZYIEJI-JZWVFAODSA-N 422.912 4.472 0 1 HIAF O=C(O)C[C@@](O)(CSCCCCCCc1ccc(Cl)cc1Cl)C(=O)O 13758094 QGRRMRPIDRCWTG-QGZVFWFLSA-N 409.331 4.120 0 1 HIAF COC(=O)[C@@H](NC(=O)c1cc(-c2nccs2)nc2ccccc12)c1ccccc1 13762376 CBALMYJAYBVGIF-IBGZPJMESA-N 403.463 4.002 0 1 HIAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)ccc2Cl)CC1 22941500 HGHMYQHNOCBXIF-MRXNPFEDSA-N 418.368 4.089 0 1 HIAF C[C@]1(c2ccccc2)C(=O)Nc2c(Br)cc(Br)cc2C1=O 28977901 LUKJSGYLEYSYEJ-MRXNPFEDSA-N 409.077 4.304 0 1 HIAF CCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CCCC2 29340059 XENXDQAWOIYJHC-UHFFFAOYSA-N 412.497 4.250 0 1 HIAF CN(C)Cc1ccc([C@@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@@H]2c2ccc(F)cc2)cc1 68201038 QOITWWGIMYRLSV-GGAORHGYSA-N 414.484 4.423 0 1 HIAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@H]1c1ccc(C(F)(F)F)cc1 73141813 QBHOSUNKLBANFW-QUCCMNQESA-N 408.372 4.104 0 1 HIAF CC(C)C[C@H](NC(=O)c1ccc(N)c(OCc2ccc3ccccc3c2)c1)C(=O)O 84653439 DBTGWDOUFLXDBB-NRFANRHFSA-N 406.482 4.230 0 1 HIAF COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 169695442 NDHLMKVKIRPOHC-FCHUYYIVSA-N 417.461 4.454 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCCO4)n3)c(Cl)cn2)CC1 169703701 PHHPXJDRQAFCBI-OWCLPIDISA-N 401.942 4.070 0 1 HIAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc([C@@H](O)Cc3ccc(Cl)nc3)cc2n1 221614232 CWRYRTIWJWUWEF-NRFANRHFSA-N 421.859 4.464 0 1 HIAF O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1 261155814 PWWFFXGAOVSLKQ-MAEOIBBWSA-N 407.445 4.408 0 1 HIAF COc1cccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)c3ccccc3Cl)n2)c1 261183193 WOMJQQXIELYZFO-FQEVSTJZSA-N 410.857 4.356 0 1 HIAF COc1ccc2c(C)c(CCc3nc4cc5c(cc4[nH]3)OCCCO5)c(=O)oc2c1C 586917552 DCOKADSNCKTHBR-UHFFFAOYSA-N 420.465 4.241 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(CSc3ncccn3)c1)O2 587408263 FKYKGOXAWWLUNM-JOCHJYFZSA-N 407.495 4.246 0 1 HIAF C[C@@]1(c2c[nH]c3cc(C(=O)O)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589130 NPILKCVJBRQGRD-YKSBVNFPSA-N 415.401 4.449 0 1 HIAF CCN(CC)c1ccc(-c2nn(CC[C@@H]3CCCN3C)c(=O)c3ccccc23)c(O)c1 587668092 ZKZDNPXFCQWORD-SFHVURJKSA-N 420.557 4.100 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)nn2C)N1 587723773 XVCYLDBHUTYRQJ-AYVTZFPOSA-N 406.221 4.138 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Cl)ccc(F)c12 587734845 RVRBULFDVJFLGW-BWKAKNAASA-N 413.649 4.111 0 1 HIAF Cc1ccc(CNC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587753633 HQVXCYQBDCADPX-SPLOXXLWSA-N 419.338 4.353 0 1 HIAF COc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 587757796 HULQQXADOBYPMM-ODXCJYRJSA-N 416.294 4.406 0 1 HIAF CC(C)N1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587769056 MMRXZHIAEUAVGU-FKIZINRSSA-N 403.295 4.121 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587801697 HUENJETZECNSSU-ZRNGKTOUSA-N 407.283 4.037 0 1 HIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CC(=O)O 587804559 BUIOMVJNFQJOSU-YBTHPKLGSA-N 422.294 4.022 0 1 HIAF COC(=O)CC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806483 JJQFIZRFBPZBEI-RNODOKPDSA-N 406.295 4.319 0 1 HIAF COC(=O)[C@H](C)[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811910 XXJVKDIVPGWMKU-DGCWBMGLSA-N 420.322 4.370 0 1 HIAF Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C(=O)O)=CO2 587839166 QVSQHBCEOWYYHJ-GIPWTMENSA-N 418.262 4.035 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)sc(=O)n3C)N1 587858008 WXOVJWOHXOIWIP-VVVCHXIZSA-N 407.308 4.125 0 1 HIAF COc1ccc(-c2ccc(CCC(=O)O)n2-c2n[nH]c(-c3ccccc3F)n2)cc1 587945323 KMNHCTJYZMKWEV-UHFFFAOYSA-N 406.417 4.094 0 1 HIAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCN(C(=O)OC(C)(C)C)C[C@H]2OC(C)=O 963233979 DQFWGSZEWZOGKT-JKHABCDFSA-N 416.562 4.111 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1ccc2nonc2c1 963853358 HABJUJNDRZYMLD-IIBYNOLFSA-N 423.469 4.257 0 1 HIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NCC3CC(C(C)(C)O)C3)c2cn1)c1ccccc1 1772635722 QMSCILFROQFJSF-HPUBIQBYSA-N 422.533 4.050 0 1 HIAF CNC(=N)c1ccc2cc(-c3cncc(-c4cc5ccc(C(=N)NC)cc5[nH]4)c3)[nH]c2c1 1857767851 JAFFXYYBQSMRBS-UHFFFAOYSA-N 421.508 4.468 0 1 HIAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356286168 WWVIWQQMQIFPHS-JZXOWHBKSA-N 415.509 4.080 0 1 HIAF CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 4888278 OWBWYJOKGKPNOZ-AGUYFDCRSA-N 403.832 4.412 0 3 HIAF C[C@@]1(C(=O)NCc2ccncc2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61896042 UAEXNWWRMXMSRU-NRFANRHFSA-N 413.399 4.172 0 3 HIAF COC(=O)[C@H](N[C@H](/C=C/c1ccccc1)[C@@H](O)Cc1ccccc1)c1ccccc1 199724530 NNAKSHQLCMWDMP-YYHIGYDWSA-N 401.506 4.176 0 3 HIAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4051545 KCCBCRWZISEWHW-JCMRRDKTSA-N 416.521 4.455 0 1 HIAF O=C(O)C[C@](O)(CSCCCCCCc1cccc(Cl)c1Cl)C(=O)O 13758138 QYUPBGVAGGNKEG-KRWDZBQOSA-N 409.331 4.120 0 1 HIAF Cc1cccc(CN2CCC(NC(=O)[C@@](O)(c3ccccc3)C3CCCC3)CC2)c1 13835814 NQWKKVJOEVKIHT-AREMUKBSSA-N 406.570 4.154 0 1 HIAF COc1ccc(OC)c2c1C[C@H](O)[C@@H](NCCC(c1ccccc1)c1ccccc1)C2 27727455 JIXNWRNSNOZUQP-DQEYMECFSA-N 417.549 4.344 0 1 HIAF COc1ccc(N2Cc3cc(Cl)ccc3C2=O)cc1OCCN1CCCCC1 28819737 WYNAMUYUMAUFBE-UHFFFAOYSA-N 400.906 4.374 0 1 HIAF C[C@H]1CN2CCN(Cc3ccnc4ccccc34)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075226 IQWAHAFJCLJTOJ-IATMXGELSA-N 401.554 4.424 0 1 HIAF COc1ccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c(OC)c1 71318479 BIXLWZVMNODXAK-UHFFFAOYSA-N 416.437 4.047 0 1 HIAF CCCOCC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O 72171920 WYHABGDJCICABJ-JOCHJYFZSA-N 420.509 4.338 0 1 HIAF COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3CCCC3)n2)cc1 82066782 OYVJLFQXDXMKSV-HXUWFJFHSA-N 403.486 4.372 0 1 HIAF CCOC(=O)c1c(C)nc(NCCCNc2ccnc3cc(Cl)ccc23)nc1C 84635741 NHGZKASPMJOCCD-UHFFFAOYSA-N 413.909 4.386 0 1 HIAF Cc1c(C(=O)NCCOc2ccccc2)cnc2c(-c3ccc(Cl)cc3)cnn12 84714810 QIAWAEKMHXYDAQ-UHFFFAOYSA-N 406.873 4.167 0 1 HIAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc(OC)cc4)n3)ccc21 95755412 PIFHZYGNKJORDX-UHFFFAOYSA-N 407.495 4.370 0 1 HIAF CCC(CC)NC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 96922839 BEHQSGZFWIKYLN-UHFFFAOYSA-N 420.538 4.264 0 1 HIAF CC(=O)Nc1ccccc1-c1ccc(-c2cc(=O)cc(N3CCOCC3)s2)cc1 101521468 YNBWZSMTDZUOIF-UHFFFAOYSA-N 406.507 4.237 0 1 HIAF CC(=O)N1C[C@@H]2C[C@@H]1CN2Cc1cc2ccc(Oc3nc4cnccc4s3)cc2o1 101656247 IMLKPKQTIDHVCY-JKSUJKDBSA-N 420.494 4.035 0 1 HIAF COc1cc(C(=O)N2N=C(c3ccccn3)C[C@@H]2c2ccccc2)cc(OC)c1OC 169328247 KQFDXPQXEWIWAZ-HXUWFJFHSA-N 417.465 4.099 0 1 HIAF Nc1ncnc(N2CCC([C@@H](N)c3ccc(Cl)cc3)CC2)c1-c1ccc(F)cc1 218696794 UEWDPNFKBSBEQP-FQEVSTJZSA-N 411.912 4.435 0 1 HIAF CSc1nnc(-c2ccc3[nH]cc(-c4cccc(N5CCOCC5)n4)c3c2)s1 221735138 IZPVJWBTUYHIEP-UHFFFAOYSA-N 409.540 4.307 0 1 HIAF COC(=O)[C@H](N)C[C@@]1(C)C[C@H]2CC[C@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C 253660900 UASYBMLHVWZBST-PYJXJXBRSA-N 408.627 4.288 0 1 HIAF O=C1COc2cc3[nH]c(CSCc4cccc(OC(F)(F)F)c4)nc3cc2N1 587122891 NUCKYEZXEMWDGU-UHFFFAOYSA-N 409.389 4.226 0 1 HIAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(-n4cnnn4)cc3[nH]2)c(Cl)c1 587159964 ZRDZMBHRGBPAIQ-HXUWFJFHSA-N 420.835 4.500 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc4c(cc32)OCO4)[C@@H]1c1ccc(F)cc1 587360080 UIIDHIXLRUSZPA-ISKFKSNPSA-N 420.392 4.297 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O 587421964 OPSAHGBVCIEZPC-SCLBCKFNSA-N 400.862 4.217 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4nc(C)c(C(C)=O)cc41)[C@@H](C2)C3=O 587436485 PWAGXRLJLVPOKU-BVZFJXPGSA-N 413.429 4.398 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NC(C)=O)c(C(=O)O)c1C)CC2=O 587493680 UOEQHZNAGAGFQQ-OAQYLSRUSA-N 417.483 4.252 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587734811 WCVGPYGFBYRPOS-FKIZINRSSA-N 424.285 4.458 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)n(C)c3ccccc23)N1 587751838 BDNOCEOWLVDZEY-MLCYQJTMSA-N 417.278 4.402 0 1 HIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 587787716 WCLKJBHCIZEKPL-ZIAGYGMSSA-N 418.234 4.111 0 1 HIAF CC(=O)N(c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1)C1CC1 587851895 DCGNHDKELNFQGQ-XYZCENFISA-N 424.339 4.184 0 1 HIAF CCOc1cc(F)c([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(F)c1 962630620 FHTUAABYPANZAS-NZQKXSOJSA-N 412.436 4.100 0 1 HIAF CCOC(=O)C[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)NCCc2c1sc(C)c2C 963022816 KRFYQGICIUDJQG-VGOFRKELSA-N 422.591 4.059 0 1 HIAF C[C@H]1CCc2c(sc(N)c2[C@@]2(c3ccco3)NCCc3c(C(=O)O)cccc32)C1 963124486 QZIQLEPJZWXTBT-ZAMGYDSWSA-N 408.523 4.184 0 1 HIAF Cc1cc2c(cc1O)[C@@](Cc1cccc(F)c1)(c1ccc(F)cc1)N[C@H](C(=O)O)C2 963550375 LFUHLSZGPLCCAX-XUZZJYLKSA-N 409.432 4.064 0 1 HIAF COc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@@](C)(F)CC3(F)F)c2)nc1 1772585581 YWLRPFXPTFLZDK-RBUKOAKNSA-N 424.398 4.031 0 1 HIAF COc1cc(C(=O)[C@@H](CCC2CCN(Cc3ccccc3)CC2)C(C)=O)ccc1O 1772606690 ZPQHXJYZVGXXNK-QFIPXVFZSA-N 409.526 4.481 0 1 HIAF Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Cl)cc3)N2S(C)(=O)=O)cc1 1857575498 XBHAYMXMGMUKNV-OALUTQOASA-N 405.903 4.107 0 1 HIAF CC1=C[C@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356351508 ZCZIQGJCUJMLEU-ZCNNSNEGSA-N 411.550 4.236 0 1 HIAF COc1cc(NS(C)(=O)=O)ccc1N1Cc2c[nH]c3ccc4nc(C)cc1c4c23 1863793 RPKKUKMXWWWVIB-UHFFFAOYSA-N 408.483 4.056 0 1 HIAF CCCCCNC(=O)Nc1nc2nn(CCC(C)C)cc2c2nc(-c3ccco3)nn12 13607047 YQFAUMVRBMZDNF-UHFFFAOYSA-N 424.509 4.092 0 1 HIAF CC(C)=CCc1c(O)c2c(c3c(=O)c(-c4ccc(O)cc4)coc13)OC(C)(C)[C@@H](O)C2 15204417 YSUKHWIKRWPBFZ-IBGZPJMESA-N 422.477 4.454 0 1 HIAF biogenic CN(CCCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)Cc1ccccc1 28526454 XKULLFUKGTYSPU-QHCPKHFHSA-N 405.542 4.068 0 1 HIAF COc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCN(C2CCCC2)CC3)c1 40936425 DNSDKZXHZNZLGF-UHFFFAOYSA-N 424.566 4.230 0 1 HIAF CN(CCCN(C)c1cc(NC(=O)c2ccc(F)cc2)ccn1)Cc1cccc(O)c1 45187153 AVUMEJGBCVLSAX-UHFFFAOYSA-N 422.504 4.137 0 1 HIAF O=c1c2c3c(sc2ncn1CC1CCCCC1)C[C@@H](NCc1cccnc1)CC3 45320606 TUNFSKIYDJWBAM-SFHVURJKSA-N 408.571 4.080 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccc(F)cc1 82141193 VDYFTTAWSBIQOF-INIZCTEOSA-N 422.504 4.474 0 1 HIAF Cn1cc2c(nc(NC(c3ccccc3)c3ccccc3)n3nc(-c4ccco4)nc23)n1 95577587 MKTDHKFRAQCBTM-UHFFFAOYSA-N 421.464 4.473 0 1 HIAF C[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1 101669307 KMKZBIGDFUKDCN-QLVJNLMHSA-N 402.531 4.124 0 1 HIAF O=C(CC(=O)c1cc(C(=O)CC(=O)c2ccccc2)c(O)cc1O)c1ccccc1 103148452 ACULOALQGPYYBW-UHFFFAOYSA-N 402.402 4.009 0 1 HIAF COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C 118737854 OYMQPIMMLYNQED-UHFFFAOYSA-N 411.405 4.355 0 1 HIAF CN1CCC[C@@H]1CNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146447618 KCBBUCIUHGINFU-HXUWFJFHSA-N 421.614 4.259 0 1 HIAF CCOC(=O)C1=C(CC)N=C(CC)[C@H](C(=O)OCC)[C@@H]1c1cccc(-n2ccnc2)c1 169714468 NTDPJPABTWNXFD-SFTDATJTSA-N 423.513 4.227 0 1 HIAF CN(C)c1ccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)cc1 219744094 NBLUPANHTSTPQP-RUZDIDTESA-N 402.538 4.218 0 1 HIAF O=c1sc2ccccc2n1CCCCN1CCN(c2ccc(Cl)cc2)CC1 299823477 GTHVOLAJXJYUND-UHFFFAOYSA-N 401.963 4.319 0 1 HIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(CO)ccc4[nH]3)cc2)c1C 586946678 CCNLMAOCDVDMBG-UHFFFAOYSA-N 407.495 4.140 0 1 HIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)c21 587032735 OEQUJEPTLUNVRX-GFCCVEGCSA-N 412.540 4.169 0 1 HIAF COc1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 587032914 VRQAKJOPOSOTTL-VPMLRQHESA-N 401.517 4.093 0 1 HIAF Fc1cccc(-c2nc3cc(I)cnc3[nH]2)c1C(F)(F)F 587096795 BLCZSSJVEFDNBT-UHFFFAOYSA-N 407.108 4.387 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2c1 587168304 HWJIEYLJIAPIQC-UHFFFAOYSA-N 411.824 4.267 0 1 HIAF Fc1cccc2c(-c3nc4c(Br)ncc(Br)c4[nH]3)n[nH]c12 587176785 RIRNCHNVUQSZRX-UHFFFAOYSA-N 411.032 4.165 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(I)c(O)c1)CC2=O 587470276 GIZAFMWOXYPUBZ-QGZVFWFLSA-N 424.234 4.361 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587534939 HEFFZHSTCSSSEM-XMMPIXPASA-N 408.450 4.108 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccccc2F)c1 587566912 BVNNPDCZGKBDQE-OFNKIYASSA-N 402.381 4.420 0 1 HIAF CC(C)(C)OC(=O)N1CC2(CC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 587597459 VIYAHJGNNAEUBY-UUOWRZLLSA-N 423.465 4.124 0 1 HIAF C[C@@H](CN1CCCCC1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656658 KJXCODRSQIGXLE-HNNXBMFYSA-N 411.452 4.104 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587761029 NFPWCFMKVWKHDC-NDGTYSDOSA-N 413.331 4.421 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(OC(=O)c3ccccc3)C2)N1 587811127 MWEPSQUGECZMHX-BPZZSBNFSA-N 404.279 4.337 0 1 HIAF COc1ccc(-c2cc(=O)n3nc(C)c(Cc4ccc(Cl)cc4)c3[nH]2)cc1OC 653669541 NSEBYRNEYMXQMS-UHFFFAOYSA-N 409.873 4.259 0 1 HIAF COC[C@H](C)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2c1OCCO2 653878505 QXBBWXNHVHJSBC-NSHDSACASA-N 419.840 4.351 0 1 HIAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@H](NCc1ccccc1)CC3 1772621294 WZFLOQVAPRKIEL-LJQANCHMSA-N 401.535 4.153 0 1 HIAF COC(=O)[C@]1(C=C[C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@H]21 1857622797 KAZMGBQDEYZMGJ-LQRGTGDSSA-N 409.320 4.297 0 1 HIAF O=C(/C(=C/c1ccc(Cl)cc1)c1ccccc1)N1CCN(c2ncccn2)CC1 1857647471 KFFIEYGSFWVIOF-HEHNFIMWSA-N 404.901 4.019 0 1 HIAF COc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)c4ccco4)cc3c2=O)cc1 1363120 LPFNKZLAUCROSG-UHFFFAOYSA-N 415.449 4.176 0 3 HIAF COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)cc1 11997803 PIQJPYZKGFJBFT-LJQANCHMSA-N 420.475 4.285 0 3 HIAF Cc1cc(-c2nnc(CCC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)o2)no1 13636984 MUZVPEOFRHIHHS-IBGZPJMESA-N 402.454 4.066 0 3 HIAF CCOc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c2cccnc12 2455824 IETKVZSAEZKFQU-UHFFFAOYSA-N 412.389 4.333 0 1 HIAF CCCC[C@@H](CC)COC(=O)C[C@H](C(=O)OC[C@H](CC)CCCC)S(=O)(=O)O 4213033 HNSDLXPSAYFUHK-KZNAEPCWSA-N 422.584 4.152 0 1 HIAF Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 13487996 GXSDXKGIICWKIF-FPOVZHCZSA-N 407.583 4.406 0 1 HIAF Nc1nc(N)c(-c2cccc(Cl)c2)c(CCCOC(=O)OCc2ccccc2)n1 13559297 JRNLGRIRDACEEA-UHFFFAOYSA-N 412.877 4.247 0 1 HIAF O=c1ccn(C/C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 35827254 ISRBLVQOVMVNRK-ZHACJKMWSA-N 424.500 4.102 0 1 HIAF CSc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CNCC5)c(=O)c2)cc1 43206039 RNRYYZPHSMBCQQ-UHFFFAOYSA-N 401.535 4.364 0 1 HIAF O=c1ccc(CNc2nc(NCCc3ccccc3)nc3ccc(Cl)cc23)c[nH]1 45201889 GXAFYGLBIIEQPE-UHFFFAOYSA-N 405.889 4.238 0 1 HIAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(-c2ccccc2)n[nH]1 66167012 UHTFCSINTBZLHP-GOSISDBHSA-N 401.445 4.209 0 1 HIAF O=C(O)c1cn(Cc2ccccc2)c2ccc(Cc3ccccc3F)c(O)c2c1=O 72142815 TYQLODTZIWRELN-UHFFFAOYSA-N 403.409 4.184 0 1 HIAF Cc1ccccc1CNc1ncnc2c1nc(CC(C)C)n2CCN1CCCCC1 82180339 UWNNBZHLRXHEET-UHFFFAOYSA-N 406.578 4.431 0 1 HIAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 95893535 FBMNEOLEUCRLPT-RBZQAINGSA-N 417.484 4.207 0 1 HIAF CCOc1ccc2c(=O)cc(CC)oc2c1COC[C@@]12CC[C@](C)(C(=O)O1)C2(C)C 101983940 YJGZYZNCWNPGDN-DNQXCXABSA-N 414.498 4.393 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccccc2Cl)nn1C 103197847 ULLOBXYKIBQRNU-NBVRZTHBSA-N 412.873 4.480 0 1 HIAF COC1CCC2(CC1)Cc1ccc(-c3cc(F)ccc3C)cc1[C@@]21N=C(N)N(C)O1 169700356 HMIWEFCAUJPAMA-TVNWEXPRSA-N 409.505 4.277 0 1 HIAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@H](N=O)C2 169714302 ZTQFAOQTCFNCRU-QMHWCDLVSA-N 414.571 4.338 0 1 HIAF NC(=O)c1c(-c2ccccc2)c(C2CC2)n2c1CN(C(=O)NCC1CCCCC1)CC2 199024808 ISYWEDIHJKEXCC-UHFFFAOYSA-N 420.557 4.237 0 1 HIAF CC[C@H](C)C(=O)O[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 206556952 PCZOHLXUXFIOCF-OFIZOCFNSA-N 404.547 4.196 0 1 HIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 586931077 UWSHPSYKTCURSO-UHFFFAOYSA-N 415.412 4.418 0 1 HIAF N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccccc2[nH]1 586978506 UWCYRLYLCZTOGG-NSHDSACASA-N 411.097 4.036 0 1 HIAF O=C(O)c1cc(F)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182681 NXOQIQAMCIMUBN-UHFFFAOYSA-N 416.577 4.325 0 1 HIAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332337 GDOJSZLSLCRBMX-CTZQYXLCSA-N 423.484 4.331 0 1 HIAF COc1cc(N)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 587340814 WWDQEEZDJPKVIL-URXFXBBRSA-N 423.440 4.405 0 1 HIAF Cn1cnc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cnc21 587343151 RXWQJAFUUJAVAO-OFNKIYASSA-N 403.413 4.087 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3CC4(C[C@H]3C2)OCCO4)[C@H]1c1ccc(F)cc1 587357012 MBGXSOPMMBNLFL-ZTAAAQKDSA-N 410.441 4.192 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N3CCOCC3)nc1-c1ccccc1)O2 587413157 MYWHDVOKRCECAC-IBGZPJMESA-N 421.522 4.244 0 1 HIAF CNc1ccc(C2(c3ccc(NC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431993 JBWMNOXQDSWPIE-OAQYLSRUSA-N 400.478 4.470 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CC[C@H](C1)N4C(=O)OCc1ccccc1)[C@@H](C2)C3=O 587445300 UOCPKIMNLDWBNZ-KHVVASAOSA-N 419.477 4.145 0 1 HIAF COC(=O)c1cc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1C 587506497 YUGXZNHOSXRPIQ-KRWDZBQOSA-N 418.287 4.160 0 1 HIAF COC(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506644 KUOAWQLPNDOSEL-OAQYLSRUSA-N 419.399 4.403 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(F)cc(Cl)cc12 587737867 HWIGUVWNCWLKKW-SKLCBMLGSA-N 413.649 4.111 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2cccnc2)N1 587754253 LAYKMAMQKRRPAW-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(C(=O)OC(C)(C)C)c2)N1 587762336 XNJVGEIDLFAJQW-HWPZZCPQSA-N 410.287 4.192 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnccc1C(F)(F)F 587868687 RPYIECAUUINRRL-UHFFFAOYSA-N 416.281 4.075 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1C 962694585 DQBGQZAKGNAPNR-QVKFZJNVSA-N 402.535 4.400 0 1 HIAF COc1ccc([C@@]2(c3ncccc3C)NCCc3cc4cccc(OC)c4nc32)cc1 963049889 BVQOXZXEMGUWPE-SANMLTNESA-N 411.505 4.393 0 1 HIAF O=C(O)c1cccc2c1[C@@]1(c3ccc(F)cc3C[C@@H]3CCCN31)c1ccccc1C2=O 963089192 GDBJAALEUHVUTH-MRDQGFSESA-N 413.448 4.381 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)ccn2)C1 1772579816 MNASAMZEEJQDJM-MRXNPFEDSA-N 409.873 4.486 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cncc(-c3ccco3)c2)C1 1772633299 PPPUNKKZCFJGTJ-HNNXBMFYSA-N 409.873 4.486 0 1 HIAF COc1cc(N(CC2CC2)c2cc(Cl)ccc2F)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O 1857567141 HGXMPEVFQLWLOX-GJZGRUSLSA-N 418.852 4.334 0 1 HIAF COC(=O)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)C[C@@H]1C[C@H]3O 2356808752 AJOPHDUNANPFKQ-FSRREMSASA-N 404.591 4.342 0 1 HIAF Brc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)o1 4126300 HXNRNFQOCQFSNF-UHFFFAOYSA-N 413.231 4.267 0 3 HIAF CN1CCC(=O)N([C@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 13661689 NAUKMVYHSOLHCJ-LJQANCHMSA-N 419.388 4.447 0 3 HIAF COC(=O)C1=C(C)N(Cc2ccccc2)C(NCC(C)C)=N[C@H]1c1cccc(F)c1 36379168 BXTITEMPRRRNBG-QFIPXVFZSA-N 409.505 4.431 0 3 HIAF COc1ccc(-c2cnc3c(NC=O)cc(-c4ccccc4OC)cn23)cc1OC 61907165 OGRLBOHJSCZONK-UHFFFAOYSA-N 403.438 4.262 0 3 HIAF CC(C)(C)c1cc(NC(=O)[C@@]2(C)CCN2C(=O)C2(c3ccccc3)CCCC2)no1 61928854 VJRSXABXJWOBKA-HSZRJFAPSA-N 409.530 4.414 0 3 HIAF CC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc(C)cc1 61947055 SRBJOPMKAUPUIA-APWZRJJASA-N 405.903 4.184 0 3 HIAF CCCN1CC(=O)N2C[C@@H](c3ccc(Cl)cc3)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2130664 LZSORUHFMJYBCL-MHECFPHRSA-N 421.928 4.263 0 1 HIAF biogenic O=C(O)Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCC2CCCC2)C1=O 12358375 LHSRBWPZMWYSRN-HSZRJFAPSA-N 423.509 4.457 0 1 HIAF O=C(O)[C@@H]1CCCN(CCOC=C(c2ccc(F)cc2F)c2ccc(F)cc2F)C1 13800109 NJLUBEXPODTEMU-CQSZACIVSA-N 423.406 4.445 0 1 HIAF O=C(N[C@H]1CCc2ccccc2N(Cc2ccccc2)C1=O)c1cc2ccccc2[nH]1 29407886 HFJWHNYVTXIFNI-QFIPXVFZSA-N 409.489 4.446 0 1 HIAF COC(=O)[C@H](Cc1c(CC=C(C)C)[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O 38299568 GFRLMLBTWXKTHN-QFIPXVFZSA-N 416.477 4.057 0 1 HIAF CCCCCC(=O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 42921840 NMROFMQEMIWYTD-UHFFFAOYSA-N 411.564 4.246 0 1 HIAF Cc1cccc(C)c1OC(=O)[C@@H](C)[C@H](O)C1(Sc2ccccc2)CCN(C)CC1 45193269 OBCRLNPUVSMFAN-UGKGYDQZSA-N 413.583 4.463 0 1 HIAF Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(N(C)C)ncc23)c1 73295427 GGXKLJBQGOPTLS-UHFFFAOYSA-N 404.499 4.395 0 1 HIAF c1cc2c(c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)c1)OCCO2 73296506 DVCFDHQNWPIUNS-UHFFFAOYSA-N 420.513 4.116 0 1 HIAF COc1ccccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C 95565887 GEXDLYSMXJSZHU-UHFFFAOYSA-N 401.869 4.149 0 1 HIAF CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccccc4)cc3)cc2S1(=O)=O 95604763 WVVARRFLFPIQLC-KRWDZBQOSA-N 413.520 4.450 0 1 HIAF CCCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccc(-c2nnn[nH]2)cc1 115235740 ASTPHWOUKGHEQU-UHFFFAOYSA-N 413.528 4.077 0 1 HIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC4(CCC4)Oc4ccc(F)cc43)cc21 144165277 MWZDLDGIEWWGIU-GOSISDBHSA-N 409.461 4.303 0 1 HIAF COc1cc(CN(CCN)C(=O)c2cccs2)ccc1OCc1ccc(F)cc1 145302336 FMMXUWCESIEKJU-UHFFFAOYSA-N 414.502 4.076 0 1 HIAF COc1ccccc1CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166972106 VLLNMBGIPRTDTC-UHFFFAOYSA-N 415.493 4.215 0 1 HIAF O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)cc2[C@H]1C(F)(F)F 168079080 OGACDUCHEFKXNL-IBGZPJMESA-N 419.378 4.361 0 1 HIAF O=S(=O)(c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2)N1CCOCC1 169311179 LPXBZYACXYOFTH-DXXSJYIJSA-N 424.566 4.004 0 1 HIAF CCOc1ccc2cccnc2c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226090440 GMTZECCVYNQQFY-FHWLQOOXSA-N 403.482 4.101 0 1 HIAF CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)nc2)c(Cl)c1 473099352 FNUTVRCUEQPYCW-OAHLLOKOSA-N 402.911 4.305 0 1 HIAF N[C@@H](N=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587165948 IPDAFXBNWCSLNF-IBGZPJMESA-N 406.446 4.393 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)c(F)cc2[nH]1 587180018 BXOVYIWBZGXJNP-SSDOTTSWSA-N 402.186 4.280 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCn1c(O)nc3cccc2c31 587588601 UEIURNUMRKYLJC-NTKDMRAZSA-N 414.417 4.098 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(Br)n1 587616265 ZOTPYDFDZSLDHF-BBRMVZONSA-N 404.241 4.314 0 1 HIAF CCOc1ccc(-c2nn(C(=O)c3ccoc3C)c(=O)c3ccccc23)cc1OCC 587672718 YIBWXPSPUZGGIA-UHFFFAOYSA-N 418.449 4.451 0 1 HIAF COC(=O)C[C@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726921 MDMQDFUEYNKYAD-NSPYISDASA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(F)cc(Cl)c12 587734935 SRNBOSYPMYBQFK-IWEMQMMOSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc(N)cc3)C2)N1 587742548 AQBRVBLZLDWQRL-PYDTXJQDSA-N 417.322 4.437 0 1 HIAF Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccccc1 587758284 IJJKRSVQIVMLLO-ODXCJYRJSA-N 415.310 4.275 0 1 HIAF CCOC(=O)[C@]12CCCC1=C[C@@]1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587800830 ZTRUUZCJDKAGGH-CFGAKRJMSA-N 408.311 4.381 0 1 HIAF CCc1ccc2c(c1)[C@@]1(CC(=O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 587838283 NFSHKIVYACFDCN-GIPWTMENSA-N 404.279 4.238 0 1 HIAF CCCOc1ccccc1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867500 GHOQLKQEJFUWTK-UHFFFAOYSA-N 405.376 4.450 0 1 HIAF CCn1cc([C@@]2(C(F)(F)F)NC3(CC3)Cc3ccc(Br)cc32)c(C)n1 961611923 DVHSZVLUBWWQFU-KRWDZBQOSA-N 414.269 4.458 0 1 HIAF Cc1cc2nc([C@@]3(C)N[C@@H](C(=O)O)Cc4c(C(F)(F)F)cc(F)cc43)[nH]c2cc1C 962710558 LVBIEDSJYLWXSV-XLIONFOSSA-N 421.394 4.200 0 1 HIAF CC1=C(Oc2ccccc2)[C@@]2(NCCc3nc4ccccn4c32)c2ccc(O)cc2O1 962979916 AZSWPMLRDCXNMG-RUZDIDTESA-N 411.461 4.132 0 1 HIAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](N[C@@H](CO)C(C)C)(C1CCCCC1)C(=O)N2 1772592194 JCAGILJXSOSSRZ-URXFXBBRSA-N 411.546 4.293 0 1 HIAF CC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1 1772633975 FPGDCKQWXUIEJX-FPOVZHCZSA-N 422.573 4.159 0 1 HIAF O=C(C[C@]1(O)CC[C@@H](Cc2ccc(F)c(F)c2)CC1)Nc1ccc2nc(O)oc2c1 1772637481 ZLXNMHCZSQLQMV-NHPVSCMHSA-N 416.424 4.304 0 1 HIAF CCOC(=O)c1cnc2c(c(C)nn2-c2ccc(F)cc2)c1-c1ccc(O)c(OC)c1 1857584549 CJXMNFNUCVQENO-UHFFFAOYSA-N 421.428 4.426 0 1 HIAF O=C(c1cccc(OC2CCN(Cc3cc(F)cc(F)c3)CC2)c1)N1CCCC1 11662980 GZAQRLOJOKRAFW-UHFFFAOYSA-N 400.469 4.244 0 3 HIAF COc1ccc([C@H]2CN(Cc3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 61923640 WTRDBPOGCYSCRK-DNQXCXABSA-N 414.505 4.466 0 3 HIAF COC(=O)C1=C(C)N(C)C(NCc2ccccc2)=N[C@@H]1c1ccccc1C(F)(F)F 199432212 BMBMMSOAZNICAV-LJQANCHMSA-N 417.431 4.285 0 3 HIAF C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 4394164 HAFQUPCULBPLGU-MPIYNKIFSA-N 422.544 4.337 0 1 HIAF Cc1ccc2c(C)nc(N3CCC(C(=O)N[C@@H](C)Cc4cccs4)CC3)nc2c1 12212632 XADDKNIMHJSMIO-INIZCTEOSA-N 408.571 4.272 0 1 HIAF CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@@]13CCN(C)[C@H]2C5 27620351 SHXTYPBRXDOEOV-JSKMBAMBSA-N 416.521 4.011 0 1 HIAF O=S(=O)(Oc1ccc(O)cc1)[C@H]1C[C@@H]2O[C@H]1C(c1ccccc1)=C2c1ccccc1 28638798 WGUNGSLOGCNJMP-AWRGLXIESA-N 420.486 4.252 0 1 HIAF C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 38154952 NMJFVCKFWDELPC-ISGPKTFISA-N 414.454 4.082 0 1 HIAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCCNCc3ccco3)cc(O)c12 40430342 BNOGMGRQPIPURV-UHFFFAOYSA-N 407.422 4.023 0 1 HIAF COC(=O)[C@@H](Cc1c(CCC(C)C)[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O 64453698 KIZGCNLWKCUPBO-JOCHJYFZSA-N 418.493 4.137 0 1 HIAF Cc1ccc(CCNc2ncc(C(=O)NCC3CC3)c(-c3ccc(F)cc3)n2)cc1 82140220 BUGUJZPPSADPGQ-UHFFFAOYSA-N 404.489 4.386 0 1 HIAF CC(C)CNc1ncnc2c1nc(CCc1ccccc1)n2CCc1ccccn1 82181802 UTTIQCJPSMRVMK-UHFFFAOYSA-N 400.530 4.317 0 1 HIAF CC(C)(C)CCNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2 82209512 FQLUPSVALMDEQC-FQEVSTJZSA-N 424.589 4.453 0 1 HIAF COc1cc(-c2nc(N3CCCC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC 82219787 JXNGOBOYJVMOEE-UHFFFAOYSA-N 410.474 4.041 0 1 HIAF Cc1cccc([C@H]2CCCN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1 95576266 VKFPWZLNKLOFMP-MJGOQNOKSA-N 405.546 4.484 0 1 HIAF CCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO 95874469 WHIDLAPBXJGMLF-CEAGPPJJSA-N 404.554 4.018 0 1 HIAF O=C(O)[C@@H]1CCCN(CCO/C=C/c2cc(F)ccc2Cc2cccc(F)c2)C1 96923954 HWWDMQPINOYECK-OJLWIZQOSA-N 401.453 4.340 0 1 HIAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@@]4(C)[C@@H]3CC[C@@]12C 169713510 SLZJMEMEWDUTRZ-UPNUWDRRSA-N 403.611 4.127 0 1 HIAF CC(C)c1cc2c(N3CCN(c4nnc(C(F)(F)F)s4)CC3)ncnc2s1 198338244 KBXPWJNRCSDHFW-UHFFFAOYSA-N 414.482 4.012 0 1 HIAF C[C@H](CN1Cc2cc(Oc3ccccc3)ccc2N=C1N)C(=O)NCCC(C)(C)C 219072926 VPQNADLZZTVAMP-QGZVFWFLSA-N 408.546 4.429 0 1 HIAF O=S(=O)(c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1)C(F)(F)F 587092040 LHLJEISEMLVCAT-UHFFFAOYSA-N 413.299 4.006 0 1 HIAF CC1=C(c2ccc3nc(/C=C\c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)NNC(=O)C1 587134226 KMBHPTXPKJBHGU-HYXAFXHYSA-N 420.341 4.184 0 1 HIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(O)c1 587240601 LOJNTDBTQXIFEC-UHFFFAOYSA-N 419.412 4.262 0 1 HIAF COc1cc2c3c(c1)O[C@](CN1CCCCC1)(c1cc(C)c(O)c(C)c1)[C@@H](C2)C3=O 587444399 OLZVITYSTMXJQR-NBGIEHNGSA-N 407.510 4.146 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(F)c(F)c1)CC2=O 587467394 RCBGVPSZCMAUET-JOCHJYFZSA-N 404.409 4.437 0 1 HIAF C[C@]1(c2ccc(N3CCOC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584704 APPFODBUGRJNNY-GBXCKJPGSA-N 417.417 4.226 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(O)cc1 587594088 KERLSPUDYPHRIY-XXBNENTESA-N 400.390 4.191 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Br)c2)N1 587677446 AJKCSYMKICOOST-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587741191 GINZPYOAKHSAIO-BIBXISHDSA-N 403.295 4.271 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCc2ccccc2)N1 587758596 YMHMHWZXWAXJJQ-RNODOKPDSA-N 405.311 4.044 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCC(=O)O)N1 587796468 SXLPZXGREHNZGI-NSPYISDASA-N 408.267 4.065 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccc(O)cc3oc2=O)N1 587838858 CUOAPLHSVAVTDG-FVINQWEUSA-N 418.262 4.198 0 1 HIAF COc1cc2[nH]c3c(-n4nc5cc4Oc4ccc(F)cc4-5)ncnc3c2cc1OC 587875867 OKHLLXIYTXCRGM-UHFFFAOYSA-N 403.373 4.226 0 1 HIAF O=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c2ccccc2c1O 653726130 GUIFYVYGJNYGTJ-UHFFFAOYSA-N 411.357 4.063 0 1 HIAF C[C@@]1(c2ccc(Cl)c(F)c2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642411 ZSPPQRAZBNVZBB-RDJZCZTQSA-N 403.759 4.240 0 1 HIAF C[C@]1(Cc2c[nH]c3cccc(F)c23)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975149 XRDJAQXAOWDUSD-FOIQADDNSA-N 408.807 4.295 0 1 HIAF O=C(Nc1cccc2cccnc12)c1ccc([C@@H]2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 1857772020 LCGPTLVHGJYCAG-JRQBXCBPSA-N 408.457 4.161 0 1 HIAF CCN1C[C@@H](CN(C)Cc2nc(-c3ccc(OC)c4ccccc34)oc2C)CC1=O 13596307 KWXHYSPESIQYET-QGZVFWFLSA-N 407.514 4.112 0 3 HIAF COCCN1C(=O)[C@H]2C[C@@]13O[C@H](C1CCCCC1)N=C3C[C@H]1c3ccccc3C[C@]21C 199723997 SQPCWFJDBHVHCC-MXJGHDLJSA-N 422.569 4.305 0 3 HIAF C[C@@H]([C@@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 766683 NPSKYYXPZPRNAM-OYHNWAKOSA-N 418.472 4.019 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(O)cc1 3804836 HMUJTAJHDZMXNI-QKONGSNMSA-N 408.542 4.244 0 1 HIAF COc1ccc(CCCCNCCOc2cc(F)cc3c2OCC[C@@H]3OC)cc1 13780384 HOVRYHTZACBVKI-NRFANRHFSA-N 403.494 4.296 0 1 HIAF COc1c2c(c(OC)c3occc13)O[C@H](c1ccc3c(c1)OCO3)[C@H](OC)[C@H]2OC 14859165 IRTVRUQCSNGIAC-PBEJRMEISA-N 414.410 4.015 0 1 HIAF biogenic COc1ccc([C@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@H]2OC)cc1 27738032 PSJWUZGLTFXJPG-VQTJNVASSA-N 420.962 4.105 0 1 HIAF COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@H]2OC)cc1 27738045 PSJWUZGLTFXJPG-PMACEKPBSA-N 420.962 4.105 0 1 HIAF O=C1C(=O)N(Cc2ccc(Br)cc2F)c2ccc(OC(F)(F)F)cc21 40953476 MMWSXSYLWVHUFH-UHFFFAOYSA-N 418.140 4.216 0 1 HIAF COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](CC(C)C)NC2(C)C)c2ncccc2c1 43061873 VSVHYNLJRIQUHK-LAUBAEHRSA-N 412.578 4.407 0 1 HIAF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)c(Cl)c1 45314578 MXCSBIZVKBOAQU-SGTLLEGYSA-N 415.839 4.400 0 1 HIAF Cc1ccc(C(=O)NC2CC2)cc1Nc1nncc2c1cnn2-c1c(F)cccc1F 49046452 FBBSXSUJJZYEKK-UHFFFAOYSA-N 420.423 4.038 0 1 HIAF COc1cc2nc(N3CCCCCC3)nc(NCCCOC(C)C)c2cc1OC 82129658 OOHGJFCESWQOGR-UHFFFAOYSA-N 402.539 4.254 0 1 HIAF COCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NC3CCCCCC3)ncnc21 82187635 AVHMUXODKJTSPM-UHFFFAOYSA-N 423.517 4.061 0 1 HIAF O=C1CCCN1CCCn1c(-c2ccoc2)nc2c(NC3CCCCCC3)ncnc21 82190665 AKUCLLCSWDIWTO-UHFFFAOYSA-N 422.533 4.234 0 1 HIAF Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5cccs5)[nH]c4C)ccc3[nH]2)n1 115834295 PHXFQFHOHIWIBW-UHFFFAOYSA-N 418.482 4.216 0 1 HIAF O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1ccc2ncccc2c1 205729939 KXOKFISPPHXYNG-UHFFFAOYSA-N 424.507 4.023 0 1 HIAF Cc1cnc([C@H](CC(=O)O)c2cc(Cl)cc(-c3cccc(CC(N)=O)c3)c2)s1 224258198 SRVXSISGYBMIHR-GOSISDBHSA-N 414.914 4.406 0 1 HIAF in-vitro CS(=O)(=O)Nc1ccccc1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 586948066 BWLCEFMUCYXZRF-UHFFFAOYSA-N 407.495 4.104 0 1 HIAF CCOc1n[nH]c(-c2nc3ccc(Br)c(F)c3[nH]2)c1Br 586979384 BSYQGWLYNNJDLI-UHFFFAOYSA-N 404.037 4.016 0 1 HIAF O=c1cccc(-c2nc3c(Cl)nccc3[nH]2)n1CCOc1ccccc1Cl 587064382 RNJYYHUFDXYYBZ-UHFFFAOYSA-N 401.253 4.172 0 1 HIAF O=c1c(-c2nc3ccnc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171292 LBDXDKIVIYMRAU-UHFFFAOYSA-N 417.213 4.315 0 1 HIAF C[C@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348396 ODUKFRBIGMJPLC-LADGPHEKSA-N 422.408 4.269 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(/C=C/C(=O)O)=COc2cc(C)ccc21 587494497 YNNKABAEDGJPGQ-JHEAYKPVSA-N 406.434 4.431 0 1 HIAF CC(C)(C)C(=O)N1CCOc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518150 CCAGTDOIRNSQTK-NRFANRHFSA-N 420.509 4.438 0 1 HIAF CSc1ncc2c(n1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612091 IVGJGUZUXVSHSU-AVRDEDQJSA-N 406.463 4.098 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(Cl)cc3)n2)N1 587700238 SQBQDKJFQFQCDB-YPMLDQLKSA-N 421.701 4.446 0 1 HIAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COC(C)=O 587807800 NOCBKIPIISCKAB-PRWKNARSSA-N 422.294 4.284 0 1 HIAF COC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587811838 XMCVZRHTCYLYMV-CJAGKMTESA-N 404.279 4.026 0 1 HIAF COc1ccc(CCCc2nc3cccc(I)c3[nH]2)c(OC)c1 587929158 RYTGHQAUAHCJPE-UHFFFAOYSA-N 422.266 4.360 0 1 HIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(I)cnc2[nH]1 587930363 OUOUSYZKATWVPZ-PXAZEXFGSA-N 405.239 4.016 0 1 HIAF C[C@@H](c1ccccc1)N(C(=O)c1ccc(O)cc1O)c1ccc(C(=O)N(C)C)cc1 653668885 PTHOZJVXXRIJKO-INIZCTEOSA-N 404.466 4.208 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ncco2)(c2cc(Cl)ccc2Cl)N1 962901754 SBCZBAYVXDPNIH-HNAYVOBHSA-N 407.228 4.011 0 1 HIAF CCCc1ccc([C@]2(C[C@@H](C)CC(=O)O)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962915101 ANXLOZZUWMCJMR-WIRXAFICSA-N 413.489 4.122 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2ccc3cc[nH]c3c2)N1 962925165 JENPBZMLRRROBP-GOTSBHOMSA-N 400.434 4.354 0 1 HIAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(C2)NCCc2c(Cl)cc(Cl)cc21 963110446 MZIRNBONHDVYJU-FJNPEDAXSA-N 404.359 4.049 0 1 HIAF COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc(Br)cc1 703523 VUWRBQSDTMMFME-SFHVURJKSA-N 415.287 4.163 0 3 HIAF C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccncc1 6507803 QIOCFUHAXYXWHH-AWEZNQCLSA-N 415.902 4.027 0 3 HIAF C[C@@]1(C(=O)Nc2nccs2)CCN1C(=O)CC(c1ccccc1)c1ccccc1 61897534 ITHSQKSSAUVEDF-QHCPKHFHSA-N 405.523 4.295 0 3 HIAF Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 858122 OQFUQWMATGLQKU-AWEZNQCLSA-N 407.333 4.371 0 1 HIAF C[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 2724682 DSPJRFUPQVUUDT-IQMFZBJNSA-N 422.431 4.302 0 1 HIAF CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@]4(C)O)[C@@]2(C)Cc2cn(S(C)(=O)=O)nc21 26181643 ZAKWQKHIANOUEX-ZPDKUKPCSA-N 418.603 4.014 0 1 HIAF CC(C)NC[C@@H](O)COc1ccc2c(=O)c(-c3ccccc3)c(-c3ccco3)oc2c1 27108732 KNIJOTIVOLHASP-GOSISDBHSA-N 419.477 4.458 0 1 HIAF CC(=O)c1ccc(OC[C@H](O)CNCCC(c2ccccc2)c2ccccc2)cc1 28636400 VPBXCBOBPMBDNR-XMMPIXPASA-N 403.522 4.441 0 1 HIAF COc1ccc(-c2c(C)nc(N)nc2C2CCN(C(=O)c3ccccc3)CC2)cc1 28761853 IFNSDHXVEWUUPZ-UHFFFAOYSA-N 402.498 4.063 0 1 HIAF CCN(CC)C[C@H]1CCCCN1C(=O)N1c2ccccc2C(=O)Nc2cccnc21 29410261 PZWLPURDHRNAMB-QGZVFWFLSA-N 407.518 4.102 0 1 HIAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)[C@@H]1CC[C@H](C2)N1 68249141 COJKEZKAKAGCDA-GCJKJVERSA-N 411.505 4.257 0 1 HIAF OCC1CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1 95561019 YTLSBLNFLAKPIK-UHFFFAOYSA-N 416.485 4.098 0 1 HIAF COc1cc2c(cc1-c1c(C)noc1C)ncc1c2[nH]c(=O)n1[C@H](C)c1ccccn1 96285473 SSBDOESBSRLQQI-CYBMUJFWSA-N 415.453 4.163 0 1 HIAF O=C1N[C@H](c2c[nH]c3ccccc23)CN=C1c1c[nH]c2cc(Br)ccc12 136516451 PJFQXMWISCKFCE-SFHVURJKSA-N 407.271 4.072 0 1 HIAF CCCS(=O)(=O)CCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 142115023 YDXMAGHLMCMVLM-VXKWHMMOSA-N 405.991 4.307 0 1 HIAF Cc1ccc(-c2nnc(SCc3nc4c(Br)ccnc4[nH]3)n2C)cc1 586965764 XVQVQWNMZMPUFX-UHFFFAOYSA-N 415.320 4.117 0 1 HIAF O=C1C[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587150202 QMFBDCUYXZGFIP-SNVBAGLBSA-N 424.220 4.259 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc(S(=O)(=O)CC4CCCC4)c1)[C@@H](C2)C3=O 587450364 UDBZTTQRGIUNDM-CVDCTZTESA-N 412.507 4.148 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)c2c(C)ccc(OCC(=O)O)c21 587481525 NAHJVOXKIWYPDV-JBEBIEQOSA-N 410.466 4.484 0 1 HIAF Nc1cccc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540617 PTUCSOQRKJDDQY-YLJYHZDGSA-N 412.239 4.440 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ncc[nH]1 587574047 YIFCWDHZERPDMV-CVDCTZTESA-N 402.381 4.160 0 1 HIAF CCc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587659866 HEGTXJASQVZWDS-UHFFFAOYSA-N 402.425 4.484 0 1 HIAF O=C([C@H]1CCN1Cc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661127 NDAKXNYYFSSUCQ-JOCHJYFZSA-N 413.452 4.117 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncnc(Cl)c3n2C)N1 587708515 YLEYUJOCVWHULG-AYVTZFPOSA-N 409.690 4.147 0 1 HIAF CCn1cc([C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587713094 CICBSWXTDIKFKQ-XLFHBGCDSA-N 402.258 4.156 0 1 HIAF C[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 587759567 GKQGWOOTVWPLJC-UYSIFFEZSA-N 413.331 4.347 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccccc3c2O)N1 587776201 BWFVCKJPDDOFKC-FVINQWEUSA-N 417.278 4.345 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N(C)C)nc2Cl)N1 587851732 IYQMDUMFJSEPBU-KRTXAFLBSA-N 404.736 4.388 0 1 HIAF Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1 962926259 AUBZFNZSPQPVRK-HFJWLAOPSA-N 419.613 4.472 0 1 HIAF Cc1ccc(CN2CC[C@H](N3CC[C@@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F 1772577311 PUIRTODRPCIZAD-FPOVZHCZSA-N 418.459 4.065 0 1 HIAF O=C(N[C@H]1CC[C@H]([C@@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1)c1ccccc1 1857551502 GGPLEOHHSWNDKN-NAOSLSSXSA-N 401.510 4.193 0 1 HIAF CCCCc1cn(-c2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc2)nn1 1857587384 QXDAIGNRISGKAW-UHFFFAOYSA-N 424.448 4.430 0 1 HIAF Cn1cc(C(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)c2ccccc21 1857621177 CFOJBQASOXEXDC-UHFFFAOYSA-N 422.492 4.066 0 1 HIAF C[C@H](CO)[C@@H]1CC[C@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@@]3(CC[C@]12C)[C@H]4CCC(=O)C5(C)C 2356465110 ZUDJUVFQGPNIMI-JBYNSPLQSA-N 400.559 4.305 0 1 HIAF CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2-c2ccc(Cl)cc2)CC1 4101758 LJCLZGWBEQIEML-UHFFFAOYSA-N 405.882 4.338 0 3 HIAF O=C(NC1CCC1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 206039528 DOEGJXZCALJYNS-HXKBJWFLSA-N 410.558 4.448 0 3 HIAF CCC(=O)Nc1ccc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c(C)c1C 26828614 OGSMHCRZQFATEL-UHFFFAOYSA-N 421.585 4.431 0 1 HIAF CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)cc1 28960653 GSRHFOYGPWJXII-UHFFFAOYSA-N 417.490 4.148 0 1 HIAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2cnccc12 43203501 NGWNSKUJGZMUDQ-GOSISDBHSA-N 409.493 4.043 0 1 HIAF COc1ccc2cc(-c3cn(C[C@@H]4Cc5c([nH]c6ccccc56)CN4)nn3)ccc2c1 64539043 KMYVRIXJVGPBJQ-IBGZPJMESA-N 409.493 4.303 0 1 HIAF COc1cccc(CNCc2coc(-c3ccccc3Br)n2)c1OC 72101102 QMHYSHBIXXQTGG-UHFFFAOYSA-N 403.276 4.411 0 1 HIAF COc1ccc(Cl)cc1-c1cc(NCc2cc(OC)c(OC)c(OC)c2)ncn1 82161268 DOZVQIYKCLVDBH-UHFFFAOYSA-N 415.877 4.444 0 1 HIAF COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3cccs3)ncnc21 82177935 RRFUMYZGLFCUJJ-INIZCTEOSA-N 407.543 4.493 0 1 HIAF O=C([C@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 95559270 IAJQUJNBYYGCQD-NFBKMPQASA-N 402.425 4.343 0 1 HIAF NC(=O)CCC[C@@]1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1 100364091 IPMIRONIKKLALD-QHCPKHFHSA-N 411.523 4.230 0 1 HIAF CCOC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 100705814 AKVQOAHIWSQQPU-ZDUSSCGKSA-N 423.494 4.283 0 1 HIAF C1=N\CCOCC/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 139297873 YTFNLOFSRQJZAE-WVZLMVLXSA-N 415.493 4.108 0 1 HIAF Cc1cnc(-c2ccccc2[C@H](C)O)nc1NCC1CCN(c2cccnc2)CC1 169303067 GJNPUBPVDHBQQG-SFHVURJKSA-N 403.530 4.229 0 1 HIAF Nc1nc2ccc(NCC(F)(F)F)nc2n1C[C@H](O)c1ccc(Cl)cc1Cl 169351120 LMUKORAVEXWMPG-LBPRGKRZSA-N 420.222 4.028 0 1 HIAF O=c1n(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)cc(O)n1C1CCC1 169729174 CPLUMTDYSVSRMJ-UHFFFAOYSA-N 418.541 4.177 0 1 HIAF CCc1ccc([C@@H]2C[C@H](C(=O)Nc3ccccc3)CN(C(=O)C3(CC)COC3)C2)cc1 204892065 KPBZDHBPOUKYIH-YADHBBJMSA-N 420.553 4.246 0 1 HIAF NC(=O)[C@H]1CC=C(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 220267528 HARNAUAUWRBJSD-SFHVURJKSA-N 424.508 4.301 0 1 HIAF O=c1ccc2cc(-c3nc4c(Br)ncc(Br)c4[nH]3)ccc2o1 586916549 CKHMNKNQIWQOFE-UHFFFAOYSA-N 421.048 4.256 0 1 HIAF CCc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1Br 586977731 QZGZEKOIEDROPG-UHFFFAOYSA-N 400.320 4.387 0 1 HIAF N[C@@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(Br)cc1F 587143167 YYJQBYYNSOSMOX-JTQLQIEISA-N 414.181 4.029 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587230184 FXWZZBNEQKWGKG-MOPGFXCFSA-N 407.514 4.178 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c(Br)c1Br)O2 587372685 MSUBDWDEEIPJAP-LLVKDONJSA-N 400.070 4.137 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCN4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587442237 HXOJULILNGKBGM-JTSKRJEESA-N 407.466 4.482 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cc(OC)ccc1OC)CC2=O 587485035 YCIRDQMSQZHGNZ-QHCPKHFHSA-N 414.454 4.087 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCN(Cc1ccccc1)C2 587593141 JKQPGRCAAVDYNE-WIOPSUGQSA-N 401.462 4.389 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Cn2cccn2)N1 587755486 ACKNMIJDNPSJRE-RNODOKPDSA-N 400.295 4.457 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587795954 YYDXKENUZMSGIL-YYSFKGJASA-N 409.299 4.333 0 1 HIAF C/C(=C/[C@]1(c2nccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587853441 MZXHJJNYLUNTJL-NAARQQAQSA-N 410.356 4.288 0 1 HIAF COc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 587867842 OTDOXUJGOHHYHG-LBPRGKRZSA-N 421.375 4.089 0 1 HIAF COc1ccc(-c2cccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)cc1 587935461 LLYAKQVHJJKLJK-UHFFFAOYSA-N 407.495 4.156 0 1 HIAF CCOC(=O)c1cc(OCC)n(-c2cc(C)n(Cc3ccccc3F)n2)c1OCC 587945382 NGWRUVQCQGXISF-UHFFFAOYSA-N 415.465 4.144 0 1 HIAF CO[C@@H](C)COC1CCC(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1 587952182 MIRXQFAMYVICLN-ZBOXLXRLSA-N 411.296 4.101 0 1 HIAF COc1cc(C)c(CNC[C@H](NC(=O)c2cc(C3CC3)on2)c2ccccc2)cc1C 653846201 GPGPPZCHWOZQIB-QFIPXVFZSA-N 419.525 4.438 0 1 HIAF COc1c(Cl)ncc(Cl)c1[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962729454 IFTQSKSCGQNRCB-YPMHNXCESA-N 405.203 4.132 0 1 HIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2csc(C3CC3)n2)N1 963173380 LIYNIVLGECEMQQ-TZMCWYRMSA-N 402.825 4.381 0 1 HIAF CCCc1ccc([C@@]2(c3cnccc3C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963550424 LMDRRJJCVWBHKK-NVQXNPDNSA-N 416.521 4.247 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2cnnc2[C@H]1c1ccccc1 1857564392 BMAAJBBKZDCAKZ-MRXNPFEDSA-N 406.795 4.196 0 1 HIAF C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)[C@H](O)C[C@@H]5[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 2356331397 IQLFOYKUCJTPMF-SMYLGWMNSA-N 418.618 4.375 0 1 HIAF C[C@@H]1C=C[C@H](O)C=C(Cl)CCOC(=O)C2=CC[C@@H]3CCC[C@@]4(CCC[C@@H]14)N3C2 2356413139 ONRNPNQJAQBNOL-UATPHRJKSA-N 405.966 4.333 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1O 3804843 BGGSGEZOWWTTGS-HEVGNLSTSA-N 408.542 4.244 0 1 HIAF CCCc1ccc(-c2ccc(CCC[C@@H](P(=O)(O)O)S(=O)(=O)O)cc2)cc1 13746368 IXJCCPSOPQUMBT-IBGZPJMESA-N 412.444 4.020 0 1 HIAF Cc1ccc(N2CC(c3ccc(S(C)(=O)=O)cc3)=C(c3ccc(F)cc3)C2=O)cc1 29470095 LEZMCPKCMGTGPE-UHFFFAOYSA-N 421.493 4.495 0 1 HIAF COc1ccc(C(=O)CSc2nc(Cc3c(F)cccc3Cl)cc(=O)[nH]2)cc1 40394913 LNWXHFLZURYLEV-UHFFFAOYSA-N 418.877 4.137 0 1 HIAF COCCN(C(=O)c1cc(C)nn1C)[C@@H]1c2ccccc2CC[C@@H]1c1ccsc1 40862812 YYWXHWBVIVERGF-IFMALSPDSA-N 409.555 4.350 0 1 HIAF O=C(COc1ccc(F)cc1Cl)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 66138422 HKNFSFUAZVJSRB-UHFFFAOYSA-N 401.825 4.425 0 1 HIAF O=C(O)[C@H]1CCCN(CCO/C=C/c2ccc(F)cc2Cc2ccc(F)cc2)C1 96923641 CKGRYFOTNXJPRK-DLENHJPASA-N 401.453 4.340 0 1 HIAF Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1/C=C/C(N)=O 114039555 QYLGZFIYBBKRBS-OUKQBFOZSA-N 423.520 4.208 0 1 HIAF Cc1nc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2[nH]1 147828633 ZMMNMKOGZFFWSP-UHFFFAOYSA-N 409.449 4.159 0 1 HIAF Cc1cc(Cn2cc3[nH]c(C)c(CN)c(-c4ccc(Cl)cc4Cl)c-3c2=O)no1 169730476 KAYOEGAEWPSWFH-UHFFFAOYSA-N 417.296 4.367 0 1 HIAF COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)C[C@H]2c1ccccc1)OCO4 473082081 GCHJSHYKQQLMEH-OALUTQOASA-N 401.462 4.471 0 1 HIAF COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC=C(C)C5=C[C@H]43)CC2)c1 504366960 DUJXNMSRDCOORC-HEJCWENXSA-N 422.569 4.052 0 1 HIAF biogenic Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(C(F)(F)F)c4[nH]3)cc12 587039393 XGYJSCHLVIWDJV-VIFPVBQESA-N 407.421 4.329 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc12 587108143 HWFUYIVFERZGSW-UHFFFAOYSA-N 400.154 4.413 0 1 HIAF Oc1c(Br)ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120184 BLLBNOIRONLHJT-UHFFFAOYSA-N 415.091 4.459 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(CNC(=O)OC(C)(C)C)nc1C)[C@@H](C2)C3=O 587427633 FAYYMMRTYAYAQY-MHECFPHRSA-N 424.497 4.086 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587445717 XSUOGPKVVAOYOZ-JTSKRJEESA-N 407.466 4.435 0 1 HIAF C[C@@]1(c2ccc(N3CCOC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584709 APPFODBUGRJNNY-YKSBVNFPSA-N 417.417 4.226 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)C1CCOCC1 587588941 VKLVOTMYTNUORP-XUZZJYLKSA-N 403.434 4.071 0 1 HIAF COc1cc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587591329 GNARWYZDOZSHES-XUZZJYLKSA-N 422.433 4.295 0 1 HIAF COc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587739940 IRDVNQYQUXFBOQ-IFGUIADFSA-N 419.338 4.450 0 1 HIAF CC(=O)NCCc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587754238 JHQRCBNAKAQFCA-YEJXKQKISA-N 419.338 4.065 0 1 HIAF COC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587810704 VRDMQHYLNMAFLD-MEELVIRWSA-N 418.306 4.416 0 1 HIAF Cc1ccccc1C1CCN(c2cc(-c3nccs3)nc(NCCC(=O)O)n2)CC1 653694237 VIEUBGBQRAFCJB-UHFFFAOYSA-N 423.542 4.179 0 1 HIAF COc1cc2c(cc1OC)[C@@]1(CCC(c3ccccc3)=C1CC(=O)O)N(C)[C@@H](C)C2 962636282 YTNMRZWQNQXRHB-IVCQMTBJSA-N 407.510 4.498 0 1 HIAF NC[C@]1(c2ccccc2Cl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640550 QXHJNPLPQWJTJB-SQJMNOBHSA-N 403.957 4.289 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1C 962694590 DQBGQZAKGNAPNR-YCRPNKLZSA-N 402.535 4.400 0 1 HIAF C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)C1=O 1772635977 XLERPYDVNGAEHV-QWIYEXKTSA-N 400.469 4.021 0 1 HIAF CC1=C[C@H](CN(C)CCO)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356776374 GTRKTYQMKVSSCI-NLWGTHIKSA-N 401.526 4.197 0 1 HIAF C[C@H]1CCCCN1CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 5034053 ACCIYHXMPCYLTP-AWEZNQCLSA-N 400.523 4.045 0 3 HIAF aggregator O=C(NCCc1cccs1)c1ccc(C[S@](=O)Cc2cccc(Cl)c2)o1 6895908 WOZPZZBCAXVGGU-SANMLTNESA-N 407.944 4.416 0 3 HIAF NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc(Cl)c2)cc1 61948689 TWYIUSCDJDRVOY-OAQYLSRUSA-N 411.914 4.343 0 3 HIAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4212223 FLKLMFOVJUXKRI-MTNREXPMSA-N 403.567 4.166 0 1 HIAF Cc1cccc(C[n+]2ccn(CCC(C(N)=O)(c3ccccc3)c3ccccc3)c2C)c1 26821862 JMONXCGYCDYWKS-UHFFFAOYSA-O 424.568 4.302 0 1 HIAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(/C=C\C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)=CCC[C@@]21C 28814881 XCZILKGEPWAVGP-OBOCIUOHSA-N 418.618 4.285 0 1 HIAF Cc1nn(C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)c(C)c1Br 29395507 BFPLMBMLAAQVOD-UHFFFAOYSA-N 419.323 4.405 0 1 HIAF CC(=O)N1[C@@H]2C=C(CN3CCC(N(C)c4nc5ccccc5s4)CC3)C[C@H]1CCC2 36184760 UPCCYIWXWGMCSO-LEWJYISDSA-N 424.614 4.297 0 1 HIAF Cc1cccc(CNC(=O)[C@@H]2C[C@@H](C)CN(Cc3nc(-c4ccccc4)oc3C)C2)n1 71340641 XGHRRZWMCMHRHA-DYESRHJHSA-N 418.541 4.128 0 1 HIAF CC(C)(C)OC(=O)N1CC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)C1 72102259 RVEIQXOZDBDUJW-SFHVURJKSA-N 407.436 4.399 0 1 HIAF O=C(Nc1ccccc1)c1nn(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 72177076 YLOLDPNSQPOVRG-UHFFFAOYSA-N 411.870 4.179 0 1 HIAF C[C@@]1(c2cc(Br)cc(NC(=O)c3cccs3)c2)CCSC(N)=N1 96174308 ILVSANQLNIXSKF-INIZCTEOSA-N 410.362 4.430 0 1 HIAF COc1ccccc1-c1[nH]c(C(=O)NC[C@@H]2CCCO2)cc2c3ccccc3nc1-2 102670524 SNXUWOKRCVICFV-HNNXBMFYSA-N 401.466 4.252 0 1 HIAF CC(=O)c1ccc2c(c1)C[C@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 103238190 LLIGDFVOQDLKCR-KRWDZBQOSA-N 407.485 4.368 0 1 HIAF CC1=Nc2nnnn2[C@H](c2ccc(Br)cc2)/C1=C(\O)OC1CCCCC1 104060041 SOEQUCPZMNTZAP-IBOXJLQUSA-N 418.295 4.250 0 1 HIAF CC1=Nc2nnnn2[C@@H](c2ccc(Br)cc2)/C1=C(\O)OC1CCCCC1 104060045 SOEQUCPZMNTZAP-UYTDBDHRSA-N 418.295 4.250 0 1 HIAF Cc1cnc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)c(Cl)c1 113165420 PKUVLDXZOGFVNS-UHFFFAOYSA-N 416.886 4.137 0 1 HIAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@H](c2ccccc2Cl)C1 116977755 IQRDNJXZWCVKSM-CABCVRRESA-N 411.937 4.439 0 1 HIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(F)ccc1Oc1ccc(OC(F)(F)F)cc1 143194101 KYRYYQRTAJIXDA-UHFFFAOYSA-N 408.307 4.457 0 1 HIAF COC(=O)C(C)(C)NC(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 144788457 RAMZSQHALBZZLP-GOSISDBHSA-N 408.542 4.062 0 1 HIAF CSc1nn(-c2ccccc2)c2cc(N3CCN(Cc4cccnc4)CC3)ccc12 147347223 FGUNXASDMPKRHS-UHFFFAOYSA-N 415.566 4.465 0 1 HIAF O=c1c(Cc2ccc3c(c2)OCO3)c(C(F)(F)F)[nH]n1Cc1ccccc1Cl 148067737 ZKHNDJXOHIXYTA-UHFFFAOYSA-N 410.779 4.216 0 1 HIAF Cc1ccc(N2CCC(F)(F)CC2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C 216500713 BRCZKOAZCVSKRY-UHFFFAOYSA-N 403.429 4.193 0 1 HIAF CCOC(=O)c1ccc(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)o1 224578185 REDXRQXXUNNEDY-UHFFFAOYSA-N 411.433 4.481 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccccc3C(=O)O)nc2c1 586882577 YOVQCXNDFAWNDC-FPLPWBNLSA-N 415.243 4.371 0 1 HIAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(Cl)cc2[nH]1 586946646 SLDAIURPHVEYRB-UHFFFAOYSA-N 409.945 4.485 0 1 HIAF O=C(Nc1nc(Cc2nc3cc(Br)ncc3[nH]2)cs1)c1cccs1 587019538 NDGITOGUIMSDLG-UHFFFAOYSA-N 420.317 4.082 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587080066 MUHWSENGJBITGZ-UHFFFAOYSA-N 416.934 4.298 0 1 HIAF FC(F)(F)CCc1ocnc1-c1nc2ccc(I)cc2[nH]1 587092520 QPFNVQVKOJVUGB-UHFFFAOYSA-N 407.133 4.317 0 1 HIAF Nc1cc(F)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1N 587135959 IWYNHGYNCFXVPJ-UHFFFAOYSA-N 405.149 4.195 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc5c(cc4[nH]3)OCO5)cc2)cc1F 587146947 ALRCTGXRPSSBQG-UHFFFAOYSA-N 417.440 4.438 0 1 HIAF Nc1c(-c2nc3cccc(I)c3[nH]2)cnc2c(F)cccc12 587176166 GGYYVATUNOMZOX-UHFFFAOYSA-N 404.186 4.104 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2ncc(Cl)cc2[nH]1 587180611 IFVOLJAOGQSHRX-ZETCQYMHSA-N 401.639 4.050 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCCCN(C)C)CC2=O 587470378 TURRHHLUPJSEQO-JOCHJYFZSA-N 413.514 4.390 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c[nH]c(C(=O)O)c1)CC2=O 587480865 GDVCOXVLOGPRAX-DEOSSOPVSA-N 421.449 4.289 0 1 HIAF CN(CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OC(C)(C)C 587572419 PELURNWQAUBIBX-MBSDFSHPSA-N 413.470 4.370 0 1 HIAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC 587594627 OZYPVEUEEFXMFR-AUSIDOKSSA-N 422.433 4.429 0 1 HIAF C[C@H](Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O 587596304 QRQVGPFVMPTROR-KVGGTASHSA-N 420.417 4.121 0 1 HIAF O=C(O)c1csc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619413 SGEOMLZIMHMFQA-JTSKRJEESA-N 408.431 4.345 0 1 HIAF CC(C)NC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587753756 ICIVUXIKPIBPSE-BUXKBTBVSA-N 405.311 4.350 0 1 HIAF COc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587756990 UAIRPROQFFZPHC-ODXCJYRJSA-N 416.294 4.406 0 1 HIAF CCc1ccc2c(c1)[C@@]1(CC(=O)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587839389 SBCVLBXGSNRESJ-PRWKNARSSA-N 404.279 4.238 0 1 HIAF O=C(Nc1cccc(CN2CCCCC2)n1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 653739260 MEOSMYVZUOFNIN-FQEVSTJZSA-N 419.529 4.392 0 1 HIAF CC(C)(C)OC(=O)N[C@H]([C@@H]1CCCOC1)[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963107141 WTXZAASXQPGUNY-OBUJGBQQSA-N 404.526 4.207 0 1 HIAF CCSc1sc(C(=O)OC)c2c1[C@]1(CC(C)(C)C2)c2c(cnn2C)CCN1C 963954108 GTVWXQLXRDYUIC-OAQYLSRUSA-N 419.616 4.084 0 1 HIAF Oc1cccc(N2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)c1 1772583743 HABFSKREWLQOMW-UHFFFAOYSA-N 405.889 4.311 0 1 HIAF O=C(Nc1ccc(F)cc1)c1cccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)c1 1857591431 LUNMGTRVEXXCFM-NBVRZTHBSA-N 400.409 4.425 0 1 HIAF COc1ccccc1CN(C)CCCCn1sc2cc(OC)c(OC)cc2c1=O 1857755980 DDXLWVCHSDNMMT-UHFFFAOYSA-N 416.543 4.001 0 1 HIAF CC(=O)O[C@@H]1C(=O)CC(C)=Cc2occ(C)c2C[C@H]2C(C)=CC[C@@H](OC(C)=O)[C@]21C 2356649534 PJVNNUMZLXDJCQ-QVGHQYEOSA-N 414.498 4.343 0 1 HIAF COc1cc(NC(=O)Nc2nc([C@@H](N)C3CCCCC3)cs2)cc(OC)c1OC 61902973 ZOWYVOIKGMNPPB-KRWDZBQOSA-N 420.535 4.393 0 3 HIAF COc1c(NC(=O)OC(C)C)c(OCCN2CCCCC2)c(OC)c2occc12 1854343 BHAHUPXHZMKMOJ-UHFFFAOYSA-N 406.479 4.272 0 1 HIAF COc1ccc(CNc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1OC 5854285 KVKUTCBECKBIPV-UHFFFAOYSA-N 401.470 4.091 0 1 HIAF CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2C(=O)c2ccc(Cl)cc2)C1 13442753 CYRNVQOLFPAEGW-UHFFFAOYSA-N 404.919 4.132 0 1 HIAF CCOC(=O)Nc1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)CC)c(C)c23)c1 14974290 WXIRVUHFCVUGCN-AWEZNQCLSA-N 424.505 4.186 0 1 HIAF O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2cccc3c2[C@@H](CCC3)C1 27721150 PCBIAAORUZQYFI-QFIPXVFZSA-N 408.586 4.454 0 1 HIAF Clc1cc2nc(C3CCNCC3)n(CCCCCn3cnnc3)c2cc1Cl 28228796 IBLRYFPWWDXGKM-UHFFFAOYSA-N 407.349 4.272 0 1 HIAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@H]1c1ccc(Cl)cc1 49072137 ZRCZGEIHIFDAPM-SFHVURJKSA-N 408.310 4.205 0 1 HIAF COC(=O)[C@]1(C)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F 72137776 PZNMCEPHIVAKBR-HICWGWBUSA-N 420.225 4.019 0 1 HIAF O=c1[nH]ccc2c(Cc3nnc4ccc(-c5csc6ccccc56)nn34)cccc12 73141975 ZXMVSFGGFLYRRC-UHFFFAOYSA-N 409.474 4.438 0 1 HIAF Fc1ccc(CCNc2ncnc3c2nc(-c2ccoc2)n3C[C@H]2CCCO2)cc1 82187134 ZTDZYOZSXPCJGR-GOSISDBHSA-N 407.449 4.059 0 1 HIAF CC(C)CNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@@H]1CCCN1C 82221629 IZMQJYDNSIBMDV-FQEVSTJZSA-N 406.578 4.164 0 1 HIAF COC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3Cl)ccnc21 84712990 XSFXPKGADGAPKT-KRWDZBQOSA-N 417.868 4.166 0 1 HIAF Cc1cc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)cc(C)n1 95574422 VBXIQPLJRJDWHB-RUZDIDTESA-N 409.468 4.305 0 1 HIAF O=C(C1CCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95875768 NPXWAHHKOIONJD-SDHOMARFSA-N 422.544 4.044 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3[C@H]4C[C@H]4[C@@H](C2)N3C(=O)OC(C)C)c1C 101417700 FWAAPZFDGYIRMI-UJWQCDCRSA-N 424.501 4.056 0 1 HIAF OC1CCN([C@H]2CC[C@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1 101437324 UMGZDRCZPRURFJ-DKXQDJALSA-N 400.607 4.424 0 1 HIAF CCOc1ccc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1 115655964 ILFDWFIFBBNDGA-RUZDIDTESA-N 416.452 4.037 0 1 HIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccnc(Br)c1 167535946 DSSSAICYQZFDPR-CQSZACIVSA-N 405.292 4.115 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2[C@@H](CCC[C@@H]2c2ccccc2)C1 169365892 SOGJYZZBYBPOFE-LLGFUMIMSA-N 413.949 4.419 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587079121 GMOWGAOWBZAYAM-UHFFFAOYSA-N 416.934 4.250 0 1 HIAF CC(C)(C)Oc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(N)cc1F 587136192 LCWDENILQGAESW-UHFFFAOYSA-N 422.464 4.188 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587150601 MJIDDFJLGNGRIN-GFCCVEGCSA-N 409.458 4.060 0 1 HIAF COc1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)ccc1OCC(=O)NC(C)C 587227104 YZIWHCVLNTUOCJ-UHFFFAOYSA-N 407.392 4.161 0 1 HIAF C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCO)CC(=O)c2ccc3c(c2O1)CCCC3 587512492 YHEPTNQIJVUZCY-UPCLLVRISA-N 417.546 4.345 0 1 HIAF CC(C)NC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587570394 IPEIYFDETVAXDC-NFBKMPQASA-N 403.434 4.233 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585341 CHJNZKCADMDFMA-GKUBODSPSA-N 423.465 4.264 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595049 MKOMWLHWXIXMSO-MHALITNNSA-N 420.417 4.035 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Br)s1 587610364 FORJFENULVJBCU-CJNGLKHVSA-N 404.241 4.314 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccc1Br 587654249 QQZIMGSVAVMZCF-UHFFFAOYSA-N 414.209 4.488 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)cnc2N)N1 587718467 ZDOJONKKCIQLAP-UOWDBTKRSA-N 404.205 4.208 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2N2CCOCC2)N1 587722562 SOBDUSHEVVGVLX-ODXCJYRJSA-N 423.301 4.188 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587728025 QLJBFKYALASZKN-YUNKPMOVSA-N 424.285 4.458 0 1 HIAF COc1ccccc1-n1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757877 HYTCPVGKTOIEKB-FKIZINRSSA-N 416.294 4.406 0 1 HIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1O 587811395 ZWZAOILXWYIVEF-APBUJDDRSA-N 410.283 4.109 0 1 HIAF N[C@@H]1C[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccc(F)cc21 962959999 RKBXKCABFFXHCC-NQIIRXRSSA-N 406.423 4.143 0 1 HIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cc(Br)c[nH]2)N1 963188926 UOMCGVNSICGFGC-STQMWFEESA-N 423.616 4.138 0 1 HIAF Cc1cc2c(cc1O)[C@@](C)(c1cc3cc(Br)ccc3o1)N[C@H](C(=O)O)C2 963552243 PKZLDOAUCJLKDE-YWZLYKJASA-N 416.271 4.072 0 1 HIAF Fc1cccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c1 1857771116 BBWOOOREENNAAQ-UHFFFAOYSA-N 402.355 4.131 0 1 HIAF CC=C(C)C(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@](C)(C(=O)O)[C@@H](O)CC[C@]1(C)[C@H]3CC2 2356772764 IALKHVRHBAMIIV-LUDYXUSSSA-N 416.558 4.499 0 1 HIAF Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3COC(=O)Nc2ccccc2)n1 2356838678 MBZFEILWNWUTJO-DFQSSKMNSA-N 418.497 4.472 0 1 HIAF COc1cccc2c1[C@@H]1CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)C[C@@H]1C2 13733325 OTWHMVOGGXUZCR-LEWJYISDSA-N 424.585 4.146 0 1 HIAF O=c1c2cc(F)ccc2nc(/C=C/c2cccc(CO)n2)n1-c1ccccc1Cl 29480759 GCRARKBYMYFDTH-PKNBQFBNSA-N 407.832 4.236 0 1 HIAF CCCOC(=O)N1C(c2ccccc2)=NN=C(c2ccccc2)N1C(=O)OCCC 40640707 DJFNJLZNKSZPKZ-UHFFFAOYSA-N 408.458 4.421 0 1 HIAF O=C(N[C@@H]1CCN(c2ccnc3ccccc23)C1)c1ccc(OC(F)(F)F)cc1 45334451 GDAHELGHVACZNQ-OAHLLOKOSA-N 401.388 4.142 0 1 HIAF CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CCCCC3)cc2)c1 100113885 MJJRKQDHFZJTAJ-OOSCYNTBSA-N 417.597 4.375 0 1 HIAF OCCOc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)cc1 169326080 PZIMXFXJKWVZIJ-UHFFFAOYSA-N 416.319 4.489 0 1 HIAF CCOc1ccc2cccnc2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 473180278 GMTZECCVYNQQFY-QYZOEREBSA-N 403.482 4.101 0 1 HIAF CCOC(=O)Cc1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 587022940 GGTGEYQHFZUINF-UHFFFAOYSA-N 402.476 4.139 0 1 HIAF Cc1cc(C)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587352827 YETIPJVKHCGGMC-HYBUGGRVSA-N 403.409 4.355 0 1 HIAF COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1c(O)cc(O)cc1O2 587407908 JUKKTWOEIYVHDS-QHCPKHFHSA-N 405.406 4.012 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCc4ccccc4)[C@@H](C)C1)[C@@H](C2)C3=O 587436474 RPIQLIZPRYKOJN-QJQUAVMFSA-N 407.466 4.003 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@]1(F)CCN(C(=O)OC(C)(C)C)C1)CC2=O 587469005 ZXVVVCFXHFFFGM-VXKWHMMOSA-N 407.482 4.418 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(F)ccc(Br)c21 587470125 DORVONKPVWYEBV-IBGZPJMESA-N 420.234 4.059 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(I)c(O)c1)CC2=O 587470275 GIZAFMWOXYPUBZ-KRWDZBQOSA-N 424.234 4.361 0 1 HIAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(C)=O 587593346 LQLSCGLKXOGYPN-WMZHIEFXSA-N 406.390 4.029 0 1 HIAF Cc1nn(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Br 587684608 ZDTVVERREXKVQA-JKYUHCHBSA-N 417.120 4.016 0 1 HIAF COc1cc(OC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587804037 ABRJGZGOZSZXPE-OVWNDWIMSA-N 410.283 4.238 0 1 HIAF COC(=O)[C@H](C)[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811322 WWOMFJRWPOFCST-DGCWBMGLSA-N 420.322 4.370 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)s2)N1 587850322 YLYAQKFUDVTVOU-VOJFVSQTSA-N 411.340 4.110 0 1 HIAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2)cc1OC 587928276 AKWTUQVYNZLYOW-UHFFFAOYSA-N 401.422 4.245 0 1 HIAF C[C@]1(Cn2ncc(Cl)c(Cl)c2=O)c2ccsc2CCN1Cc1ccco1 962700125 BTWCDYCSNBKVLJ-SFHVURJKSA-N 410.326 4.178 0 1 HIAF C[C@H](c1ccccc1)N1CC2(CC2)[C@]2(C1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962728705 FPZRVUHJTGDHBI-NIJIEXERSA-N 414.471 4.385 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCOC(C)=O)c(OC)c2)N1 962962415 VLNMPRNRMOLKOE-UZUQRXQVSA-N 408.498 4.132 0 1 HIAF COc1ccc2c(c1OC)[C@@H](c1cscc1C)N(C(=O)c1ccccc1N)CC2 963147846 SMEIAYBNNJPATL-OAQYLSRUSA-N 408.523 4.444 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 963603205 BLILKGGYGRINPR-NSMLZSOPSA-N 420.550 4.040 0 1 HIAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cccnc3C)cc2NC(=N)C1 1772583153 NTCKLFCIVHVCIG-UHFFFAOYSA-N 419.529 4.467 0 1 HIAF Cc1cc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc(NC(=O)c2cncc(C)c2)c1 1772592136 BWTWGWJBTWUAQM-UHFFFAOYSA-N 422.573 4.077 0 1 HIAF Cc1nc2ccccc2n1CCn1cc(NC(=O)c2ncoc2-c2ccccc2)cn1 1772616239 GJCHMHQAWOABJL-UHFFFAOYSA-N 412.453 4.149 0 1 HIAF C[C@]12CCC(=O)[C@@]3(C)[C@H]1[C@@H](OC2)[C@@H](O)[C@@]1(C)C2=CC[C@@H]([C@@H]4CCOC4)[C@@]2(C)CC[C@@H]13 2356335486 ARKGGIVBWHHQPU-YRGJEUQISA-N 414.586 4.157 0 1 HIAF Cc1cccn2c(CN[C@H]3CCCc4ccccc43)c(C(=O)N3CCCCC3)nc12 13596553 DCIGKDIMOHHIRQ-NRFANRHFSA-N 402.542 4.436 0 3 HIAF O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 627420 IGACZDWVAUZSAP-KBPBESRZSA-N 416.836 4.337 0 1 HIAF CC(=O)c1sc(NC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)nc1C 2487631 JLJZOYIXFFIYFP-UHFFFAOYSA-N 412.393 4.071 0 1 HIAF COC(=O)C[C@H]1c2ccccc2C(Cc2ccc3c(c2)OCO3)=C(C)N1C(=O)OC 8682181 GWGXYZKUIAPJGD-IBGZPJMESA-N 409.438 4.075 0 1 HIAF O=C(O)Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(Cc2ccccc2)C1=O 12358463 ZRKXVLNNHYSNNI-QHCPKHFHSA-N 417.461 4.077 0 1 HIAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c(F)cc(F)cc4F)c3)cc12 14961631 RAVXBSQKUMKVLM-INIZCTEOSA-N 412.415 4.299 0 1 HIAF COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CC[C@H](N(C)C)C4)cc3)cn2)cc1 28123316 QVPVPTUAGMFXHF-QFIPXVFZSA-N 416.525 4.150 0 1 HIAF O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1ccc(F)cc1Cl 28520711 KDPOEAJPSXPEJK-AWEZNQCLSA-N 407.898 4.056 0 1 HIAF Cc1cnccc1Nc1nc(-c2cc(Br)ccc2F)nc2nccnc12 28822264 HWZQLTMAOWBBEJ-UHFFFAOYSA-N 411.238 4.435 0 1 HIAF Cc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23Cc2ccccc2C3=O)cc1 40391343 YSHDPBCAFOFNOV-ZDJNHPEVSA-N 408.501 4.297 0 1 HIAF Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 40936938 HOYKNPXNYUOCRM-UHFFFAOYSA-N 407.489 4.229 0 1 HIAF COc1cccc(OC)c1CCc1cn(Cc2ccccc2)c2nc(N)nc(C)c12 72175895 QAIYZQDTDSUNQH-UHFFFAOYSA-N 402.498 4.173 0 1 HIAF CCOC(=O)[C@H](C)Oc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 95562455 VYWFRZNCMDHEPU-LBPRGKRZSA-N 412.269 4.341 0 1 HIAF c1ccc2c(-c3cnn4cc(-c5ccc(N6CCOCC6)cc5)cnc34)ccnc2c1 96270779 SZVLDZCYMADNPG-UHFFFAOYSA-N 407.477 4.448 0 1 HIAF in-vitro Cc1cccc(N2CCN(C[C@H](C)NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1C 96901934 PQZAWBXSCXNBOF-LYAPCXFUSA-N 409.618 4.147 0 1 HIAF O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 100132092 ZZVJWCXYXQNPRK-ISJGIBHGSA-N 408.586 4.195 0 1 HIAF CC(=O)OC1=CC[C@H]2C(=C1)[C@@H]1c3cc(OC(C)=O)ccc3C[C@@H]2N(CC2CC2)[C@@H]1C 101974670 VDLWVSZLAVPKEP-NJYPZHMASA-N 407.510 4.128 0 1 HIAF C[C@@H](O)C[C@@H](C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 113654061 HRNAVIYNHGZRMP-CHWSQXEVSA-N 408.483 4.030 0 1 HIAF COC(=O)CCS(=O)(=O)N(CCCC(F)(F)F)c1sc2ccccc2c1C 115232705 GPJYULVAMRXSTK-UHFFFAOYSA-N 423.478 4.252 0 1 HIAF COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(C[S@](C)(=N)=O)c2)ncc1F 206895394 NSJOYQIOHVHMCZ-GDLZYMKVSA-N 422.432 4.490 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc(-c5ncc[nH]5)cc4)ncc23)ccn1 219748002 ODXRKDLJRPDOLB-UHFFFAOYSA-N 424.468 4.040 0 1 HIAF COC(=O)[C@H]1[C@@H]2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](C(C)C)CC[C@@]2(C)CC[C@H]1O 238758911 GSVHJKOPCZOBLY-BCGPLTPFSA-N 414.542 4.244 0 1 HIAF CCn1c(=Nc2c(C)cc(C)cc2C)cc2n(c1=O)CCc1cc(OC)c(OC)cc1-2 253733882 ZVQQLAGXLKLVOD-UHFFFAOYSA-N 419.525 4.068 0 1 HIAF CCOc1cccc2c(Nc3cc(OC)c(OC)c(OC)c3)c(C(=O)OC)oc12 299852713 WPPNNOKIRFCJIL-UHFFFAOYSA-N 401.415 4.388 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299877199 GVTDUFDOSJYLTD-HVJHZFLKSA-N 402.535 4.129 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587006044 ATUFAMSSSQMVMC-UHFFFAOYSA-N 405.639 4.080 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3cc4ccccc4c(Cl)n3)nc-2[nH]1 587086152 UVHOWICGHJHENA-UHFFFAOYSA-N 402.845 4.491 0 1 HIAF O=C(O)c1cc(Br)cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 587093261 ZGKVZNRPTUSEHV-UHFFFAOYSA-N 404.142 4.174 0 1 HIAF Cc1cc2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c(C)n1 587107475 ANTWFZABKBZZST-OAHLLOKOSA-N 424.448 4.119 0 1 HIAF CCOC(=O)c1ccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587112036 GGLUHCKEZFJXAI-HXUWFJFHSA-N 419.403 4.158 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c(Br)c1Br)O2 587372699 MSUBDWDEEIPJAP-NSHDSACASA-N 400.070 4.137 0 1 HIAF CCOc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587378967 XXDHVVGRLGGSFC-INIZCTEOSA-N 406.276 4.454 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422270 SOWVHZYFQMLTPH-QECYYQPUSA-N 403.400 4.432 0 1 HIAF CC(=O)N(c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1)C1CC1 587609447 CANQYPIJQPKTFQ-RXVVDRJESA-N 422.462 4.067 0 1 HIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C[C@@](F)(Cl)C(F)(F)Br 587649269 OOHSPFJMLVMCPH-LBPRGKRZSA-N 418.662 4.315 0 1 HIAF O=C(c1ccc(O)c(Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587654567 UNTNLTFSNVGTRB-UHFFFAOYSA-N 412.779 4.389 0 1 HIAF CCOc1ccc(-c2nn(-c3ncccc3F)c(=O)c3ccccc23)cc1OCC 587671140 KKZXVSFWUCIBRV-UHFFFAOYSA-N 405.429 4.384 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)nc2F)N1 587737841 HRUQESOYNNGPQE-BBATYDOGSA-N 408.290 4.346 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cccc(-c4ccc(OC)c(O)c4)c3)nc2cc1OC 587787728 XIHLTGMUDGBHOL-UHFFFAOYSA-N 404.422 4.406 0 1 HIAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc(OC)c1OC(F)F 962636171 YJAWXKYOOUMZOO-CWTRNNRKSA-N 423.456 4.288 0 1 HIAF CN1CCC([C@@]2(c3ccccn3)c3ccsc3CCN2Cc2cccnc2)CC1 962999346 QPVMTTSFSGZQTB-DEOSSOPVSA-N 404.583 4.182 0 1 HIAF CCCCCCOc1ccc([C@]2(CCCC(=O)O)c3c(cnn3C)CCN2C)cc1 963953559 BCHDJKFKOPYGAK-XMMPIXPASA-N 413.562 4.366 0 1 HIAF COc1cccc(OC)c1-c1cc(NC(C)=O)nc(-c2c(OC)cccc2OC)c1 1772640494 FBVYBHBLZIRBTO-UHFFFAOYSA-N 408.454 4.408 0 1 HIAF NC(=O)c1c(F)ccc(OCc2cc(-c3ccc(-c4ccccn4)cc3)no2)c1F 1857654024 IVEVRHZCNSXKCR-UHFFFAOYSA-N 407.376 4.360 0 1 HIAF Cc1ccc(F)cc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccncc2)no1 206015903 WNHTZYOQCYNMMH-LJQANCHMSA-N 408.433 4.137 0 3 HIAF O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773462 GRPXEWSQKHLYBJ-NRFANRHFSA-N 416.452 4.481 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2C(C(=O)O)C(=O)O 28565945 YJEOTFNYZRJYFK-LJQANCHMSA-N 421.449 4.087 0 1 HIAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 40374323 GFWKHLGNTRIBOR-RSBMDPRMSA-N 412.574 4.275 0 1 HIAF Cc1ccc(S(=O)(=O)n2c3c(c4cc(Cl)ccc42)C[C@@H](N(C)C)CC3)cc1 60325812 XJSQPVGIUSJIDS-INIZCTEOSA-N 402.947 4.259 0 1 HIAF Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2C2CCCC2)c(C)c1 82191312 FVVLTKURZXVRKK-INIZCTEOSA-N 419.529 4.115 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)c1C 101417709 KKAKZTLYKANGNB-SOLBZPMBSA-N 412.490 4.057 0 1 HIAF Cc1c2c(n(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c1C)CC(C)(C)CC2=O 101785744 LZHOBXYMJZHNPD-MAEOIBBWSA-N 423.557 4.064 0 1 HIAF CN(C)c1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1 137128683 BONYPWQOFXQUQV-UHFFFAOYSA-N 414.311 4.393 0 1 HIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccnc(Br)c1 167535841 DSSSAICYQZFDPR-AWEZNQCLSA-N 405.292 4.115 0 1 HIAF C[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/C=C/C=C\[C@@H](O)C/C=C\C=C/C(=O)O1 169291718 KMKZBIGDFUKDCN-ITQAQAHXSA-N 402.531 4.124 0 1 HIAF CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(-c4cn[nH]c4)ccc23)cn1 169347460 IAHZIPPNSDBRJA-NRFANRHFSA-N 411.469 4.401 0 1 HIAF Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc(F)c3)C(C(=O)O)=C[C@H]2C(C)(C)C)cc1 199886391 REVAVOMZMBOHDV-PMACEKPBSA-N 417.502 4.305 0 1 HIAF C[C@@H]1CN(C[C@@H](C)N(C)C(=O)CCc2ccc(O)cc2)CC[C@]1(C)c1cccc(O)c1 253639249 VFXDHFJSVIUCGU-KYTVRQNUSA-N 424.585 4.177 0 1 HIAF COc1cc(Nc2nc3n(n2)CCC[C@H]3c2ccccc2)ccc1-n1cnc(C)c1 299833476 OSZMZSCLTXNQBE-IBGZPJMESA-N 400.486 4.450 0 1 HIAF Cc1c(CN2CCC(c3c[nH]c4ccccc34)CC2)c(=O)n(-c2ccccc2)n1C 473083115 MNQGDEKCVJDKDZ-UHFFFAOYSA-N 400.526 4.345 0 1 HIAF O=C1NCN(c2ccccc2)C12CCN([C@H]1CC3(CCCC3)Oc3ccccc31)CC2 473122367 IYIICTXCKRVVAT-QFIPXVFZSA-N 417.553 4.252 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)c(C)c4[nH]3)CC2)cc1 586955547 QKHKGIZMBFKRBC-UHFFFAOYSA-N 403.935 4.401 0 1 HIAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc(I)cnc2[nH]1 587109437 JREDGZANGYPIMP-UHFFFAOYSA-N 407.108 4.387 0 1 HIAF Cc1cncc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 587157419 LHLBZWOKYQFCBZ-UHFFFAOYSA-N 402.227 4.003 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)ncc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238349 CJYQMQCYEMIDER-RPLLZPRCSA-N 406.914 4.166 0 1 HIAF NC(=O)Nc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 587244091 LNXDNPORNZSCGL-UHFFFAOYSA-N 410.069 4.246 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)nc1 587594069 KTGXTUZDLFPWQN-ZJSXRUAMSA-N 402.450 4.480 0 1 HIAF C[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599109 ZTLKCIOJDNOXKZ-DHLKQENFSA-N 417.461 4.106 0 1 HIAF CCS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587608931 TZCGXNMFULLZMP-NFBKMPQASA-N 424.474 4.063 0 1 HIAF CCOc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)cc1 587648674 FENFPUGEFRDQLC-UHFFFAOYSA-N 411.401 4.382 0 1 HIAF CCOC(=O)c1c(-c2cc(F)c(F)c(C)c2F)[nH]c2ccc(S(C)(=O)=O)cc12 587650283 RBZAVZMGZACSGU-UHFFFAOYSA-N 411.401 4.141 0 1 HIAF CCOc1ccc(-c2nn(CC[C@H]3CCCN3C)c(=O)c3ccccc23)cc1OCC 587668725 FZEXELPYSGBUMV-LJQANCHMSA-N 421.541 4.345 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)c(F)c(O)c(F)c2F)N1 587718867 JXZSUHXATHBVKZ-BMSCFWOVSA-N 408.164 4.474 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cn3ccnc3)c2)N1 587757064 UNIHWEOECRXNGQ-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF COc1ccc([C@]2(/C=C\C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587805053 CZEUDGRNJYPGER-NADNIZCFSA-N 420.278 4.015 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccccc1S(=O)(=O)NC(C)(C)C 587872404 LDJVOVRJVBTMLU-UHFFFAOYSA-N 417.506 4.154 0 1 HIAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc(OC)c1OC(F)F 962636173 YJAWXKYOOUMZOO-HXPMCKFVSA-N 423.456 4.288 0 1 HIAF COc1ccc2c(c1OC)[C@]1(CCCN(C(=O)OC(C)(C)C)[C@H]1C)N(C)[C@@H](C)C2 962645457 ZRYGHCHRXFOCTM-PBPSECFOSA-N 404.551 4.195 0 1 HIAF CCOc1cccc2[nH]cc([C@H]3N[C@@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)c12 962717977 XZURCOONKSTKKP-APWZRJJASA-N 422.378 4.413 0 1 HIAF Cc1c(O)ccc2c1[C@](C)(c1ccc(Oc3ccccc3)c(F)c1)N[C@H](C(=O)O)C2 963522094 DUEXUOWQHWHQOA-CYFREDJKSA-N 407.441 4.494 0 1 HIAF Cc1cc2c(cc1O)[C@](c1ccccc1)(c1nccc3ccccc13)N[C@H](C(=O)O)C2 963548046 DIHBYOBCFWGFEH-BKMJKUGQSA-N 410.473 4.140 0 1 HIAF Cc1noc([C@@H]2CCCN(C(=O)c3ccc4cc(Oc5ccccn5)ccc4n3)C2)n1 1772576038 IIGHWIYRODPGEC-QGZVFWFLSA-N 415.453 4.133 0 1 HIAF Cc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CCC[C@H](CO)C4)C(C)(C)C3)nc12 1772620880 FKSNPOBNMQCEGJ-SESVDKBCSA-N 409.574 4.063 0 1 HIAF Cc1ccc(C(=O)NC2CCN(c3nccc(Nc4ccc(F)cc4)n3)CC2)cc1 1857636800 ZWXLEIPSXMQILA-UHFFFAOYSA-N 405.477 4.067 0 1 HIAF O=c1ccc(C=Cc2ccc(Cl)cc2)c2n1C[C@H]1C[C@H]2CN(C2CCOCC2)C1 2356826063 HVRQTBVWDYMIQR-ICSRJNTNSA-N 410.945 4.270 0 1 HIAF CN(C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)C1CCOCC1 13593952 YKAXAEYKTIFHAQ-UHFFFAOYSA-N 422.569 4.024 0 3 HIAF Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 758493 BROYPRZUMZTGCW-PZJWPPBQSA-N 422.525 4.018 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCN(CC)CC 4213565 LQAHVNXZHQXNRR-YADHBBJMSA-N 403.567 4.167 0 1 HIAF CCc1cc(CC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1 13756072 GUTFIONSOPXFFD-OAQYLSRUSA-N 406.482 4.024 0 1 HIAF COc1ccc(CN2N=C(c3ccc(OC)c(OC)c3)[C@@H]3CCCC[C@@H]3C2=O)cc1 26502878 KBHCNHZXGQOFAJ-UXHICEINSA-N 408.498 4.265 0 1 HIAF CCCc1cc(-c2ccccc2)cc(CCC)[n+]1Cc1ccc(S(N)(=O)=O)cc1 27990561 WREWMEUBGSOQIP-UHFFFAOYSA-N 409.575 4.242 0 1 HIAF COC(=O)c1c(SC)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N 28382391 DUZTVXKYJROMJJ-UHFFFAOYSA-N 400.209 4.289 0 1 HIAF CN(C)CCNC(=O)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1 28563461 MFZZZRBZKVFGHR-UHFFFAOYSA-N 417.538 4.393 0 1 HIAF CCc1cc(-c2ccc3c(c2)C[C@H](CC(=O)NCc2ccccn2)C3=O)ccc1O 29123361 LMWFQZGNRJWZBY-HXUWFJFHSA-N 400.478 4.078 0 1 HIAF CCOc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1F 29312142 UBWAFXNBCZACLT-NWDGAFQWSA-N 424.270 4.068 0 1 HIAF COc1ccc(N2CC[C@@H](c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 40567477 ZSRLHNGSNTZMLF-NRFANRHFSA-N 412.505 4.220 0 1 HIAF OCCCCCCNc1ccnc2[nH]c3ccc(I)cc3c12 45203047 CRMFPPGUSSQIQS-UHFFFAOYSA-N 409.271 4.285 0 1 HIAF CC[C@H](C)c1cccc([C@@H](C)CC)c1OCCCON1C(N)=NC(N)=NC1(C)C 45231038 IJXIFTDGYSIUJH-HOTGVXAUSA-N 403.571 4.095 0 1 HIAF CCOc1cc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1OC 72173362 KBGDQNHOGJFALY-UHFFFAOYSA-N 403.479 4.258 0 1 HIAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@H]12 73163526 KCGXXRBMPRXFSA-ZOMKSWQUSA-N 406.448 4.348 0 1 HIAF Cc1ccc(-c2nc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCCC3)co2)cc1 82069089 FRCSMCSFHAERCT-OAQYLSRUSA-N 417.509 4.004 0 1 HIAF CCc1ccc(-c2cnn3c(C)c(C(=O)NCCOc4ccccc4)cnc23)cc1 84725563 KCFZTCSDMXIVCP-UHFFFAOYSA-N 400.482 4.076 0 1 HIAF Cc1ccc(-n2ncc3c2C(C)(C)CCN(C2[C@H]4CC5C[C@@H]2CC(O)(C5)C4)C3=O)cc1 95587464 PIPBSWYQEPJYPD-OMXRJYKRSA-N 419.569 4.244 0 1 HIAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1c(-c2ccc(F)cc2)noc1C 100055165 KZYDERWDJDKROE-KETZHDHUSA-N 400.406 4.210 0 1 HIAF C[C@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2)C12CC3CC(CC(C3)C1)C2 100623359 YHMQDALIZCNOLK-FDYAKEPMSA-N 408.590 4.295 0 1 HIAF Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccncc5)ncc4C)ccc3[nH]2)n1 115832481 ZPVRSTDYUMTZRS-UHFFFAOYSA-N 424.464 4.222 0 1 HIAF NC(=O)c1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1 118595524 BOAJFRPORILFEL-HXUWFJFHSA-N 421.522 4.042 0 1 HIAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(OC2CCNCC2)n1 144312137 KGYLHBNHGJLHPU-UHFFFAOYSA-N 420.488 4.224 0 1 HIAF CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@H]2OC[C@@]2(CCCc2ccccc2)C[C@H]3[C@H]1C5 253696976 AFNNIVJCAOZVSR-PCIJFCCSSA-N 417.549 4.079 0 1 HIAF O=C(COc1ccc(C(=O)NCCc2ccccc2)cc1)NCc1ccc(Cl)cc1 473119889 NHKDFNOWLZHQOV-UHFFFAOYSA-N 422.912 4.008 0 1 HIAF Clc1ccc(-c2nnc(SCc3nc4cnncc4[nH]3)n2Cc2ccco2)cc1 586966037 ZNEODEKRXWKAPR-UHFFFAOYSA-N 423.889 4.198 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587036496 CUTNBQVSRVLJFT-ZDUSSCGKSA-N 407.289 4.030 0 1 HIAF COc1cc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)ccn1 587096516 HWHYYNZBIJRVNF-UHFFFAOYSA-N 410.429 4.452 0 1 HIAF CC(C)[C@@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198271 WINMUYNEMFSAGP-QFIPXVFZSA-N 424.545 4.469 0 1 HIAF CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417582 CKLHENRNWNEEFZ-IEGUWTFLSA-N 414.885 4.277 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(CCCN1C(=O)c3ccccc3C1=O)CC2=O 587477453 RIWKGZNXYJXCTC-DEOSSOPVSA-N 407.466 4.145 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575491 CESJAQBFYURZHL-URXFXBBRSA-N 401.418 4.154 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)c1cccnc1 587587916 OOYUKVWHXQJPMH-WIOPSUGQSA-N 410.429 4.282 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1cccs1)CC2 587616281 ZRLKXIFOOLOAEL-IBGZPJMESA-N 421.474 4.090 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)Nc3ccc(F)cc32)N1 587733804 OSLOUXHVVDFGPI-APBUJDDRSA-N 407.258 4.237 0 1 HIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O 587745136 VFZWSAAPAPKEBV-PRWKNARSSA-N 421.310 4.353 0 1 HIAF CC(C)COC(=O)N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587770207 RBKDUGNTJHXBDO-CYBMUJFWSA-N 413.331 4.206 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccncc12 587779553 TVWQWNHCFQVCGA-VERVWZFWSA-N 423.285 4.354 0 1 HIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587963663 PZBAYKLNQQVIRT-CHWSQXEVSA-N 417.918 4.175 0 1 HIAF Cc1oncc1[C@]1(C)C[C@@H](c2cc(-c3cncnc3)c(F)cc2F)NC(=N)S1 653883010 FEBKATWSJYJAHE-HKUYNNGSSA-N 401.442 4.336 0 1 HIAF COc1c(C)cc([C@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1C 962713498 UULNZJKYKLJNRC-XLIONFOSSA-N 411.395 4.332 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cccc(NC(=O)C2CCC2)c1 963048557 TURULAHIAIRQRM-VWLOTQADSA-N 401.510 4.391 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]31C(=O)[C@H](c2ccccc2)Oc2ccccc21 963065013 IAOSVOSLRXKLMY-AHKZPQOWSA-N 422.484 4.336 0 1 HIAF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@@H]3C=CC4=C(COC4=O)[C@@]32C)cc1 2356519830 QUYNMBZRMCYARM-BKSPAHHJSA-N 408.494 4.486 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C4=CC(=O)OC4)CC[C@@]32O)C1 2356597157 WJOGTCZNZPHODB-SKKCBERCSA-N 416.558 4.175 0 1 HIAF O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 13813787 FOCWVENPDIREMR-FYYLOGMGSA-N 411.461 4.042 0 3 HIAF aggregator CN(c1ccc(Sc2cc([C@]3(C)COC(C)(C)O3)cs2)cc1)S(C)(=O)=O 13743611 HUDZAVXKZARLKW-SFHVURJKSA-N 413.586 4.293 0 1 HIAF COC(=O)c1cncc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 28954733 OASPCDILGCFCDY-UHFFFAOYSA-N 420.509 4.354 0 1 HIAF CCc1nnc(NC(=O)C2(C[C@@H](CCc3ccccc3)C(=O)O)CCCC2)s1 34803260 USJQBYSRQCMORE-MRXNPFEDSA-N 401.532 4.323 0 1 HIAF COc1ccc(S(=O)(=O)N(C)CCCNc2ccnc3cc(Cl)ccc23)cc1 35190818 CDPRACVARKYJSH-UHFFFAOYSA-N 419.934 4.020 0 1 HIAF O=C(NCc1noc(-c2nn(Cc3ccccc3)c3ccccc23)n1)c1ccccc1 40395267 PIDPPDMZZZHHJM-UHFFFAOYSA-N 409.449 4.065 0 1 HIAF CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(F)ccc(F)c23)on1 40407950 FMCSQPBGEPEEEL-UHFFFAOYSA-N 402.275 4.276 0 1 HIAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCn3cnc4ccccc43)cc(O)c12 40973654 UQDRLURFZSRKRF-UHFFFAOYSA-N 414.417 4.300 0 1 HIAF COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c2c1 53294773 MIEJOQGHYSYEFX-UHFFFAOYSA-N 415.331 4.423 0 1 HIAF 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)Nc1ccc(O)cc1 58602081 HMUJTAJHDZMXNI-RKRMHJIESA-N 408.542 4.244 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)O)C3)co2)cc1 82069323 VRRTXBOCAOLPSC-QGZVFWFLSA-N 400.475 4.238 0 1 HIAF CC(=O)N1C[C@H]2C[C@@H]1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 95595796 IVPRIRIFLMWNSH-HZPDHXFCSA-N 420.494 4.035 0 1 HIAF C[C@H](c1ccccc1)N1C[C@H]2[C@H](NC(=O)[C@@](O)(c3ccccc3)C3CCCCC3)[C@H]2C1 101141658 LCDQNPJMKVBLRS-RDKKGYDHSA-N 418.581 4.262 0 1 HIAF COc1ccc(CN2C[C@@H]3CCC[C@H](N4CCCC4)[C@@H]2CN3Cc2ccccc2)cc1 101422638 QGHZKNVBZNJZGF-URORMMCBSA-N 419.613 4.399 0 1 HIAF O=C(O)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(OC(F)F)c(OC(F)F)c1 103250087 ITOPHTCFBLGYAI-NEPJUHHUSA-N 413.323 4.330 0 1 HIAF CCS(=O)(=O)N(Cc1c(F)cnc(F)c1F)c1sc2ccccc2c1C 115233415 QZHSVENQODSGDU-UHFFFAOYSA-N 400.447 4.378 0 1 HIAF O=C(O)c1ccc(CNC(=O)c2cc(Cl)cnc2Oc2ccc(F)cc2)cc1 168642284 DJRNTZODJOPRSE-UHFFFAOYSA-N 400.793 4.295 0 1 HIAF C=CC(=O)N1CCC[C@H](Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1 216097090 MVMYSSWSZKNLMC-SFHVURJKSA-N 415.497 4.107 0 1 HIAF CO[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@H]12 299848958 YFCXYSVMBVPMGK-LNMFOMTJSA-N 422.606 4.103 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C)cc2[nH]1 586935501 IMMQEMUOVXTJAW-KRWDZBQOSA-N 403.573 4.261 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1 586938598 WSSHQKYZRFXXCT-AWEZNQCLSA-N 413.927 4.128 0 1 HIAF C[C@]1(c2ccccc2-n2ccnn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344279 XFFQRXBLJMZINF-ISKFKSNPSA-N 415.424 4.386 0 1 HIAF CCO/C=C(\C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351424 UTRFTHWEORTUCH-FYOOHZHOSA-N 414.429 4.132 0 1 HIAF O=C1C[C@](C(=O)O)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 587495635 DPDLMJHEDWIFLE-HXUWFJFHSA-N 401.256 4.273 0 1 HIAF CN(C)CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573219 SDHPZMWNLOBENB-WIOPSUGQSA-N 419.477 4.210 0 1 HIAF CN1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(C=O)c21 587592691 IOZWZQIGVOWPGX-BWKNWUBXSA-N 415.445 4.290 0 1 HIAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(C(F)(F)F)cc1 587637668 MYFZWWHAVKCXDR-UHFFFAOYSA-N 405.328 4.293 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ncccc3F)c(=O)c3ccccc23)c(O)c1 587666860 GKFQBWHETJZEJS-UHFFFAOYSA-N 404.445 4.139 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587735211 XFTILGGSEFZGOG-FKIZINRSSA-N 424.285 4.458 0 1 HIAF COC(=O)c1cccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587802398 MCNKTRXYOLSHGZ-OVWNDWIMSA-N 417.278 4.480 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cnccn3)s2)N1 587854965 SQIPTLWXABDXCD-JDNHERCYSA-N 405.296 4.125 0 1 HIAF O=C(O)c1ccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c(F)c1 621476376 JKLSNMKWAMCZPL-UHFFFAOYSA-N 414.186 4.240 0 1 HIAF COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2)NCCc2ccc(F)c(C)c21 962142865 GMWRGQGPQYYWIQ-VWLOTQADSA-N 405.469 4.424 0 1 HIAF CCOc1cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)cc(Cl)c1OCC 962929772 XIQCLORKMFZZOF-HXUWFJFHSA-N 402.922 4.074 0 1 HIAF O=C(O)CCCC[C@]1(c2ccc(C(F)(F)F)cc2)NCCc2nc3ccccn3c21 962992113 XMLRRUFYNJIGOJ-OAQYLSRUSA-N 417.431 4.387 0 1 HIAF COc1cnn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)c1 1772623818 ZFMWNJINDHCOEY-NYBDTYKHSA-N 414.590 4.481 0 1 HIAF NCc1[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)cc1 1857586328 DIKBQXHLNDZWRU-UHFFFAOYSA-N 412.493 4.478 0 1 HIAF C/C(=C\CC[P@@](=O)(NCC(=O)OC(C)C)Oc1ccc2ccccc2c1)CO 1857646237 UZAJPIFIKQLZHC-ITXALXDXSA-N 405.431 4.282 0 1 HIAF COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)c1 1857656124 VDRHHZQQKHUNMM-UHFFFAOYSA-N 417.509 4.366 0 1 HIAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@]6(CCC[C@H]6CCO)C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356319977 XIVHQPYKFZAFJH-QQEXDJEASA-N 416.602 4.117 0 1 HIAF CC(=O)OCC[C@@H]1c2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c2N1C)OCO4 2356478864 WADSRLPCHRQYER-GOSISDBHSA-N 419.433 4.408 0 1 HIAF Cc1ccccc1CN1CCN2C(C(=O)Nc3ccc(C(C)C)cc3)=COC2=NC1=O 205219824 ILGBXSKNTPQLPJ-UHFFFAOYSA-N 418.497 4.222 0 3 HIAF CCCCCCN[C@H](C)Cc1cc(OC)c(I)cc1OC 26016034 MZSPRYZVGAGGBE-CYBMUJFWSA-N 405.320 4.409 0 1 HIAF CCNC(=S)O[C@@H](CCc1ccc(C[C@H](OCC)C(=O)O)cc1)c1ccccc1 28822008 ZOHQSCNHRHDDJA-SFTDATJTSA-N 415.555 4.304 0 1 HIAF c1ccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)cc1 35826839 ORESESSHUCUUFK-UHFFFAOYSA-N 406.618 4.191 0 1 HIAF in-vivo CCO[C@@H](Cc1cccc(C2=NO[C@H](c3ccc(Br)cc3)C2)c1)C(=O)O 40940297 YPGXXPHPVGKPLW-OALUTQOASA-N 418.287 4.347 0 1 HIAF COc1ccc(Oc2cc(N3CCN(c4ccccn4)CC3)ncn2)c2ccccc12 82067399 BYUASONLHQEFQW-UHFFFAOYSA-N 413.481 4.152 0 1 HIAF Nc1c2c(nc3cc(Cl)ccc13)C[C@H]1C=C(CCCCn3cc(CO)nn3)C[C@@H]2C1 95920795 MHMXFYDLGYPRNA-JKSUJKDBSA-N 423.948 4.401 0 1 HIAF in-vitro Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4nnnn4C=N[C@H]32)cc1 98083201 KVUHESOFOLRHJU-VWNXMTODSA-N 404.477 4.370 0 1 HIAF CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 117876632 FRCSWNZVLDOHOS-UHFFFAOYSA-N 410.481 4.250 0 1 HIAF Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N)CC3)c1 142223298 YGXWLBBERBHMTL-LOSJGSFVSA-N 420.578 4.073 0 1 HIAF O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1ccc(C2CC2)c(OCC(F)(F)F)n1 143382760 DCNVVRADNMZNIR-AWEZNQCLSA-N 419.325 4.329 0 1 HIAF CCCOc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br 586961770 LSAZQEKNPWFTTK-MRVPVSSYSA-N 424.324 4.045 0 1 HIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587044615 IQVKLQPHBIVVDG-UHFFFAOYSA-N 422.312 4.386 0 1 HIAF CN(C)CCOc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587081811 GPRPHENHMLBFHS-UHFFFAOYSA-N 411.893 4.057 0 1 HIAF O=S(=O)(c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1)C(F)(F)F 587152837 SIMLYUHMPOCHFA-MNOVXSKESA-N 402.344 4.406 0 1 HIAF CC(C)(C)OC(=O)NC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332286 CZQNCCKBIQHVFH-PGRDOPGGSA-N 401.434 4.174 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CN4CCCCC4)c1)[C@@H](C2)C3=O 587445388 WHVUEPFVWGLQQZ-NBGIEHNGSA-N 407.510 4.353 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(I)c1)CC2=O 587473234 YRPNHOQLCOOKLA-KRWDZBQOSA-N 424.234 4.361 0 1 HIAF COc1ccc([C@]2(CCN(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587503655 HJVQSPHOLOASGW-VWLOTQADSA-N 409.526 4.395 0 1 HIAF O=C1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 587552100 NMLARWPGWXQCOR-UGKGYDQZSA-N 408.793 4.212 0 1 HIAF COc1cc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587592761 KFPXFWVRQPNQEG-XUZZJYLKSA-N 422.433 4.295 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)n2)N1 587687145 XMHICHGMNJDEBM-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF COc1ccc(-n2ccnc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587754443 MCHGQWFIHMNSLQ-BUXKBTBVSA-N 416.294 4.406 0 1 HIAF CCOC(=O)N1C=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 587769203 NHMCXFFNQYJXKP-BUXKBTBVSA-N 411.315 4.474 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOC3=O)cc2)N1 587769883 ZQSKANPUBOLBNZ-FKIZINRSSA-N 419.294 4.343 0 1 HIAF CSc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)n1 587842739 FXBOFBLNAGYCMO-FUXBKTLASA-N 402.720 4.377 0 1 HIAF COc1ccc(-c2nnc3n2NC(c2ccc(Br)cc2)=CS3)cc1 957877290 NVMFUGUXIVQWAD-UHFFFAOYSA-N 401.289 4.364 0 1 HIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1cnn2c1CCCC2 961776911 AGHUNSPRKVFMGQ-JOCHJYFZSA-N 408.546 4.460 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC[C@H]3CN(C(C)=O)c4cccc1c43)N(C)[C@@H](C)C2 962633502 PHTWCLXSFFAUPY-LMZHUWQESA-N 406.526 4.068 0 1 HIAF CCOC(=O)c1ccccc1[C@@H]1CCC[C@]2(C1)NCCc1ccc(C(=O)N(C)C)cc12 962926654 SUISORRPIPROSN-FQRUVTKNSA-N 420.553 4.264 0 1 HIAF OC[C@H]1CCc2c(sc3nc(-c4ccc(CN5CCCCC5)cc4)nc(O)c23)C1 1772570840 LOGVVPKWWVTVLM-INIZCTEOSA-N 409.555 4.147 0 1 HIAF CNC[C@H](O)c1ccc(O)c2c1C[C@H]([C@@H]1OC[C@H](C)c3ncccc31)CC(C)(C)C2 2356361187 WLEJUQSLUFOHJJ-JEQXVRLRSA-N 410.558 4.046 0 1 HIAF CCCCC[C@H]1OC(=O)c2c(C)cccc2Oc2ccc(O)c(CO)c2C=C[C@H]1O 2356829332 IXKMZTKNAYOHND-TZIWHRDSSA-N 412.482 4.479 0 1 HIAF Cc1ccccc1Nc1sc(C(=O)Nc2cccc(Cl)c2)c(N)c1C(N)=O 3324189 VMIKLEFBIGZGNY-UHFFFAOYSA-N 400.891 4.387 0 3 HIAF aggregator Cn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(COc2ccc(F)cc2Cl)on1 12302052 ZVAQJLZGAVMXES-KRWDZBQOSA-N 418.856 4.147 0 3 HIAF CCc1nc2c(OCCn3cccc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 61897796 YQNGTQXEQTXWSN-UHFFFAOYSA-N 418.497 4.062 0 3 HIAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCC(C)(C)CO 773643 YBLNDEUUGUIGMG-UHFFFAOYSA-N 412.461 4.295 0 1 HIAF CCC[C@]1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 26479998 OKARPYQDCSPETI-FYYLOGMGSA-N 410.470 4.038 0 1 HIAF CC(C)(C)NCC(=O)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1 26720090 YOCPMOCEUDDFGS-UHFFFAOYSA-N 412.921 4.451 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H]3CCCCC3=O)CN(C)[C@@H]1C2 27518813 HFQSQNJGOYLPPV-HGPLWSSJSA-N 408.542 4.237 0 1 HIAF Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(C(=O)O)ccc4F)cc3)c12 63298408 XAHJIRNRDAKTEF-UHFFFAOYSA-N 405.389 4.293 0 1 HIAF CCCCNc1nc(N(C)C[C@H](O)c2ccccc2)nc2cc(OC)c(OC)cc12 82137403 RLXAVVQVKUBGSL-IBGZPJMESA-N 410.518 4.029 0 1 HIAF FC(F)(F)CN1C[C@@H]2C(c3ccc(Br)cc3)[C@@H](C1)N2CC(F)(F)F 100087218 RFJGDFNFIPRZGO-VXGBXAGGSA-N 417.191 4.026 0 1 HIAF COc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccc4c(c3)OCO4)cc2)cc1 100101690 IUBHCMYHZUDKQR-MWZSMPGESA-N 414.505 4.031 0 1 HIAF C[C@@H]1[C@@H](N2C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C2=O)C[C@H]2C[C@@H]1C2(C)C 101678153 SHIWYZPUXXEVIX-DHXZDTOLSA-N 402.922 4.134 0 1 HIAF O=C(O)c1ccc(OC2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)c(Cl)c1 103269890 VYIHTZCGBYAQRV-MJGOQNOKSA-N 414.889 4.147 0 1 HIAF Cn1cc(C2=C(c3c(Cl)ccc4ccc(CN)cc34)C(=O)NC2=O)c2ccccc21 141836866 RWYIXXFPIXIFNJ-UHFFFAOYSA-N 415.880 4.011 0 1 HIAF O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1CCN1CCCC1 206214099 GQJLHXDZELXXBH-UHFFFAOYSA-N 420.431 4.183 0 1 HIAF CCN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1 299830215 LRJHGQPUWPIJAG-UHFFFAOYSA-N 406.448 4.499 0 1 HIAF CC(=O)Oc1ccc2c(c1)[C@H]1c3cc(OC(C)=O)ccc3[C@H](C2)N(CC2CC2)[C@@H]1C 473235081 JWTRGWHZBJWGEL-CPXZRQHMSA-N 405.494 4.380 0 1 HIAF COc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1OC 586948733 LPRRWFQHCIIDPS-UHFFFAOYSA-N 423.494 4.356 0 1 HIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc3ncccc3c2[nH]1 586984103 HIXSYWBCUYABLH-SFHVURJKSA-N 409.287 4.294 0 1 HIAF CSc1ccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2c1 586995087 DWDURCMHHAUYAF-KRWDZBQOSA-N 404.333 4.467 0 1 HIAF Cc1ccc(-c2nc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c(C)s2)cc1 587013524 ZVFZSOGUYPVZRU-UHFFFAOYSA-N 412.540 4.221 0 1 HIAF CC1=C(c2ccc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3c2)NNC(=O)C1 587022110 UHZISAZIIGXRML-UHFFFAOYSA-N 401.495 4.033 0 1 HIAF Cc1onc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)c1COc1ccccc1Cl 587062950 DKGIWUZSSBSGNN-UHFFFAOYSA-N 410.817 4.090 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@](F)(Cl)C(F)(F)F)nc2c1 587090212 NQLFSEWSXCNKGJ-LLVKDONJSA-N 403.557 4.426 0 1 HIAF Fc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(N2CCCC2)n1 587177551 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COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O 587806281 JLUMYDDDEMDSLH-GIGQVBGESA-N 410.283 4.109 0 1 HIAF CC1=C(OC(=O)C(C)C)[C@@]2(C=CO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587836157 ZDCGPZQWPOBKOO-WYRIXSBYSA-N 410.283 4.292 0 1 HIAF CS(=O)(=O)c1ccc(C2=NN(c3ccc(C(=O)O)cc3)[C@@H](c3ccccc3)C2)cc1 653760644 LBERFMPVPIOEOU-JOCHJYFZSA-N 420.490 4.144 0 1 HIAF Cc1ccc2c(c1)[C@]1(CCS2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962676960 YNFWCZQYWCPEGL-BJKOFHAPSA-N 404.535 4.381 0 1 HIAF COc1ccc2nc(C[C@@H]3CN(C4CCC(F)(F)CC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305810 JAZITHGQXNYWGK-HUUCEWRRSA-N 421.488 4.105 0 1 HIAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2C(=O)C2(c3ccccc3)CCCC2)c1 61927094 WLUWROWAGIFZBV-DEOSSOPVSA-N 422.525 4.145 0 3 HIAF O=C(N/C=C/c1c[nH]c2ccc(Br)cc12)C(=O)c1c[nH]c2c(O)cccc12 3872153 YOSCZIHXUFLPKH-VOTSOKGWSA-N 424.254 4.087 0 1 HIAF NC1=N[C@H](c2cccc(OCc3ccccc3)c2)N(c2ccc(Cl)cc2)C(N)=N1 13559317 POJCBBWXTMJTRM-FQEVSTJZSA-N 405.889 4.067 0 1 HIAF O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(F)ccc23)CC1 13731171 KQKWCYWIRKGLKQ-UHFFFAOYSA-N 424.495 4.113 0 1 HIAF COc1cc(-c2ccc[nH]2)[nH]c1/C=C1/C=CC(CCCCCC(=O)N2CCOCC2)=N1 26573840 YRWDCINSXQCXHT-MNDPQUGUSA-N 422.529 4.179 0 1 HIAF CC[C@@H](COC)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3Cl)ccnc21 34167680 ZEDBPLSFZAIKJI-LBPRGKRZSA-N 405.857 4.166 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](C)(O)C3 58594584 VNDROSDKNARHKI-GLVNRMKBSA-N 406.563 4.255 0 1 HIAF biogenic CN1CCC[C@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCC3CC3)ncnc21 82179912 VMJSOYWVNUDYOT-SFHVURJKSA-N 410.953 4.453 0 1 HIAF Fc1cccc(CNc2ncnc3c2nc(-c2cccs2)n3C[C@@H]2CCCO2)c1 82181671 HCBRPXIYBGBQRQ-INIZCTEOSA-N 409.490 4.485 0 1 HIAF CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Br)c2)c1 96175680 PWKAUXJSVCIORC-UHFFFAOYSA-N 418.682 4.308 0 1 HIAF CC(C)C[C@H](NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O 113663661 RATSJQACMMGHFQ-QFIPXVFZSA-N 421.472 4.310 0 1 HIAF Cn1c(=O)ccc2cc([C@H]3CCN(C(=O)OC4C5CC6CC(C5)CC4C6)C3)ccc21 142426530 LMIMAVCHOCDGGS-TVNNQROESA-N 406.526 4.289 0 1 HIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ncccn2)c1 167118471 FXOWSSZWOAIRHF-LPHOPBHVSA-N 403.482 4.271 0 1 HIAF COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 169695445 NDHLMKVKIRPOHC-YADHBBJMSA-N 417.461 4.454 0 1 HIAF CC(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)ccc32)no1 201328816 BZUCTUFPZCONDQ-UHFFFAOYSA-N 404.430 4.018 0 1 HIAF CC(=O)c1cccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)c1 219733274 ODJBWOYBRMTPAI-VWLOTQADSA-N 401.506 4.354 0 1 HIAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CNc2cc(C(F)(F)F)n[nH]2)CC1 261144549 NQMVRTMSNXKYQL-AULYBMBSSA-N 415.847 4.186 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2cccc(F)c2)cc1 299862441 JQLKYNCPHUMKRM-JTHBVZDNSA-N 421.497 4.001 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C[S@](=O)CC3CC3)[nH]c12 586960641 XGBICXWFSDFJKS-GDLZYMKVSA-N 421.444 4.493 0 1 HIAF COc1cc(/C=C/c2nc3ccc(C(=O)N(C)C)cc3[nH]2)ccc1Br 586977810 SRGXJRRMIWHTRR-WEVVVXLNSA-N 400.276 4.206 0 1 HIAF O=C(O)c1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984280 DSWDVSIYMWNYPG-QGZVFWFLSA-N 400.276 4.209 0 1 HIAF Cc1cccnc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329962 BAAJTHNTAMKUGZ-QPPBQGQZSA-N 420.440 4.381 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(Cc3ccc(OC(F)(F)F)cc3)c1)O2 587384278 ZIGQSSQWOJSCQJ-IBGZPJMESA-N 417.387 4.427 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587586995 DUMBQWALFOENNU-GCJKJVERSA-N 407.422 4.217 0 1 HIAF COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593036 ZYZCAZORPFBGQR-XXBNENTESA-N 402.406 4.427 0 1 HIAF COCCc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614152 RJGOWYDZXYCUHT-PGRDOPGGSA-N 411.479 4.223 0 1 HIAF CCOC(=O)C(C(=O)OCC)c1[nH]c2cc(Cl)c(F)cc2c1CC(F)(F)F 587630279 XOPHEBKMBCNHRT-UHFFFAOYSA-N 409.763 4.275 0 1 HIAF COc1ccc(NC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587656574 NMJKAZGIWBTHRB-UHFFFAOYSA-N 407.376 4.431 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587741707 ICGORXBRCKZYPX-YBTHPKLGSA-N 419.294 4.107 0 1 HIAF CC(C)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587799130 WLLWJRUMVPUWIU-GIPWTMENSA-N 403.295 4.442 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587825709 DVTFMMUTAKBDHI-WDBMACOESA-N 408.311 4.229 0 1 HIAF COc1ccc(CCCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1OC 587925367 NNBBUYBPVFWUPR-UHFFFAOYSA-N 400.788 4.169 0 1 HIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(I)cnc2[nH]1 587930367 OUOUSYZKATWVPZ-YVEFUNNKSA-N 405.239 4.016 0 1 HIAF O=C(CCc1c[nH]c2ccccc12)NC1CCN(Cc2c[nH]c3ccccc23)CC1 1857632436 MMWYCSGTMACPQI-UHFFFAOYSA-N 400.526 4.363 0 1 HIAF O=C(O)CCc1ccc(NC(=O)c2nnc(COc3cccc(Cl)c3)s2)cc1 1857762252 XQEKZLMCGBXLEU-UHFFFAOYSA-N 417.874 4.040 0 1 HIAF C[C@@H]1CCCC=CCCC(=O)C[C@@H](O)CC=CC=C[C@H](O)CC=CC=CC(=O)O1 2356707206 KMKZBIGDFUKDCN-GIWBLDEGSA-N 402.531 4.124 0 1 HIAF CC(=O)O[C@@H]1C[C@@]2(C)C=CC[C@@]3(CCCC(C)(C)[C@@H]13)[C@]2(O)CCC1=CC(=O)OC1 2356779568 APVQQWUDOVEKPZ-LVEKPIIGSA-N 402.531 4.095 0 1 HIAF CC(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)c1 61925732 ZDLAZIHPTQPGLG-UHFFFAOYSA-N 412.449 4.398 0 3 HIAF CCOC(=O)N(C)[C@H]1C[C@H]2c3cc(-c4ccccc4C)ccc3CCN2C[C@H]1[C@H](C)O 199740448 ZHGAZKQZKWJAJT-MGKKLRQFSA-N 422.569 4.419 0 3 HIAF O=C(O)CC[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCCCCC1 13447247 JMMHBHKGGRZWAT-LJQANCHMSA-N 422.953 4.313 0 1 HIAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc2ccccc12 13601803 BKVDDRUPSUWQNR-XMMPIXPASA-N 405.457 4.385 0 1 HIAF O=C(O)CCC/C=C(\CCCNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13733282 BHULVFAMAJBLNZ-FZSIALSZSA-N 422.934 4.132 0 1 HIAF O=C(CN1CCCC1)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1 26673025 ZCBNIKIMOGPRLD-UHFFFAOYSA-N 410.905 4.158 0 1 HIAF Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)Nc1ccccc1 29037985 PWIBKEWBERRHGJ-QUCCMNQESA-N 412.555 4.448 0 1 HIAF Cc1[nH]c(/C=C2\C(=O)Nc3cc(NC(=O)Nc4ccccc4)ccc32)c(C)c1C(=O)O 53312451 XBBZAHDOGBGKGM-BOPFTXTBSA-N 416.437 4.466 0 1 HIAF COc1ccc(C2=CN3CCC[C@H]3C=C2c2cc(O)c(OC)c(OC)c2)cc1OC 73292548 ZFICSRNQVIMLDY-KRWDZBQOSA-N 409.482 4.329 0 1 HIAF biogenic,in-vitro Cc1nc(C)c(-c2ccc([C@H]3CC[C@@H](CC(=O)O)CC3)c(Cl)c2)nc1C(N)=O 101581669 KAGHJGHSKOXHFD-HDJSIYSDSA-N 401.894 4.261 0 1 HIAF COc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cnn(C)c4)cc3s2)cc1 103290051 JZGAYLCRVBPMQG-MSOLQXFVSA-N 404.495 4.448 0 1 HIAF CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(C)(C)O)C/C=C(\CO)CC[C@@H]2O[C@]21C 103571642 ISSYTMWXBGIZDF-IXHLPVQVSA-N 418.574 4.404 0 1 HIAF biogenic,in-vitro CCc1ccc([C@H]2C[C@@H](NC(=O)Nc3ccccc3)CN(C(=O)N3CCCC3)C2)cc1 114342754 ZWCJKYIKDHSWMF-JTHBVZDNSA-N 420.557 4.444 0 1 HIAF Cc1nn(-c2ccccc2)c(C)c1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1 142058707 GOXCOJSFYMWXQQ-HNAYVOBHSA-N 420.517 4.433 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cn1)Nc1ccc([C@H]2CNCCO2)cc1Cl 149928645 CYKXETAGSMCFGW-CQSZACIVSA-N 400.788 4.059 0 1 HIAF Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(OC4CCNCC4)n3)c2c1 150161550 UENAANOOJPBPBW-UHFFFAOYSA-N 407.424 4.096 0 1 HIAF COc1ccccc1C(=O)N(C)c1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 207493741 MORGWTHRCNUDMF-UHFFFAOYSA-N 414.483 4.121 0 1 HIAF CNC(=O)c1ccc2cnc(Nc3ccc(-c4cnc(C)n4C)cc3OC)cc2c1 207733752 AMMNQRXKRBASPP-UHFFFAOYSA-N 401.470 4.056 0 1 HIAF CC1(C)CCC[C@@H](Oc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)C1 216259530 MJBZFIABUWGMIG-CQSZACIVSA-N 409.523 4.273 0 1 HIAF CCN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 299875465 CZLSVMXLHBIJOW-DZLUEKEQSA-N 417.557 4.272 0 1 HIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 586882394 RCASTLMNRKSTBC-UHFFFAOYSA-N 406.667 4.302 0 1 HIAF O=S(=O)(/C=C\c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccccc1 586924277 OGQKGQWFZHXCGT-SREVYHEPSA-N 403.332 4.057 0 1 HIAF O=C(Nc1nc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cs1)c1cccc(O)c1 587019327 KEYDWASQOBSLQN-UHFFFAOYSA-N 420.281 4.270 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@H]2CCCC[C@H]21 587028214 WQQKAIYMOPQDME-MCIONIFRSA-N 401.923 4.143 0 1 HIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(-n5cnnn5)ccc4[nH]3)c21 587031807 BAUWEXFIMHCFIQ-CYBMUJFWSA-N 401.499 4.498 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc12 587127463 YBPGDVPPGLSFKX-LHLIQPBNSA-N 415.217 4.200 0 1 HIAF COc1cc(N)c(I)cc1-c1nc2ccc(OC(C)C)cc2[nH]1 587178707 JERYPCNTSSENAR-UHFFFAOYSA-N 423.254 4.213 0 1 HIAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332348 GDOJSZLSLCRBMX-SXPGVMETSA-N 423.484 4.331 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCN(c3ccccc3)C(=O)C2)[C@@H]1c1ccc(F)cc1 587343322 JRUCOEDCABPJAX-ILBGXUMGSA-N 417.436 4.456 0 1 HIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(C)noc1C 587394550 HGJBZDBGLXZULC-OAQYLSRUSA-N 408.454 4.476 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)O2 587394854 JTQXAKHMWNONIZ-UQNRQAKVSA-N 400.519 4.481 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1sccc1Br)O2 587411826 WLUVQROENMOGBY-OOFWQKGWSA-N 407.333 4.337 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC1OCCO1)c1cccc(F)c1 587571368 NLSMQRQTGTZJKQ-URXFXBBRSA-N 422.408 4.151 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCN(Cc2ccccc2)C1 587584425 XVAOLTXFXTXJSB-PZGSVQSZSA-N 401.462 4.245 0 1 HIAF CCn1cc([C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587713095 CICBSWXTDIKFKQ-XYZCENFISA-N 402.258 4.156 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCc2ccc(F)cc2)N1 587731658 HXOAMJWXCCFACO-ODXCJYRJSA-N 423.301 4.183 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc(F)cc3c2=O)N1 587735924 VSPFTQFDPMOKSS-YYSFKGJASA-N 406.226 4.457 0 1 HIAF COc1ccc(-n2ccnc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587754439 MCHGQWFIHMNSLQ-BLVKFPJESA-N 416.294 4.406 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CN(C(=O)OC(C)(C)C)C2)N1 587758188 BWZMZKZUIKLPQR-APPDUMDISA-N 413.331 4.421 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796533 LBTPXNZTMULPHM-RBZFPXEDSA-N 406.295 4.238 0 1 HIAF COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O 587806279 JLUMYDDDEMDSLH-DGIBIBHMSA-N 410.283 4.109 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587847309 TZTNLTDLAOGLPR-OVWNDWIMSA-N 421.335 4.430 0 1 HIAF Cc1cc2c(cc1F)[C@H]([C@@H]1[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]1C3)NCC2 962095088 UYDWSRFFDNMWJE-IZVJSRMBSA-N 406.501 4.438 0 1 HIAF Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(C(F)(F)F)n3)ccc12 1857534571 PIQYMNFZTVLZGU-UHFFFAOYSA-N 407.344 4.030 0 1 HIAF O=C1N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCN1c1ccccc1 1857760503 HXLCGRTUDBLGNG-LJQANCHMSA-N 421.447 4.376 0 1 HIAF Oc1nc(S)nc2c1[C@@H](c1ccc(F)cc1)O[C@@H](CCOCc1ccccc1)C2 169304288 SRHCTTFBSSIYQM-FXAWDEMLSA-N 412.486 4.248 0 3 HIAF CC(=O)Nc1cccc(NC(=O)C[C@@]2(C)N=C(c3cccc4ccccc34)N(C)O2)c1 205233455 LHGSEDREVUTHHY-DEOSSOPVSA-N 416.481 4.167 0 3 HIAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OCC)cc1 4041554 QDZOWAYJZYOLLW-JTHBVZDNSA-N 409.530 4.159 0 1 HIAF COc1cccc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)c1 13580634 VNUIPDGLBJFCJN-UHFFFAOYSA-N 407.378 4.136 0 1 HIAF COc1cc(CN2CCC(NC(=O)c3ccccc3)CC2)c(OC)c2ccccc12 28861874 ZYWMUCGWTQRXLU-UHFFFAOYSA-N 404.510 4.251 0 1 HIAF CN(c1ncccn1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 43066915 HEFAAVYYGFTJLY-UHFFFAOYSA-N 416.504 4.119 0 1 HIAF Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C[C@@H](O)COc1ccccc1 72182768 LPMOTVJHIAHCNT-HXUWFJFHSA-N 413.949 4.073 0 1 HIAF CC(C)(C)NC(=O)Nc1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nn12 118237008 IIUHIEHPXSVTPQ-MRXNPFEDSA-N 414.460 4.269 0 1 HIAF CC(C)c1csc2ncnc(N3CCC(CNCC[C@@H]4CCCN4C)CC3)c12 146596145 RTZXYTRAGGSFMQ-SFHVURJKSA-N 401.624 4.105 0 1 HIAF Fc1cccc2nc(N[C@H]3C[C@H](Oc4nccnc4C4CCOCC4)C3)sc12 146986320 ZRKYUHLMVQANIB-OKILXGFUSA-N 400.479 4.141 0 1 HIAF COc1ccc(CN2C[C@H]3CCC[C@@H](N4CCCC4)[C@@H]2CN3Cc2ccccc2)cc1 169352443 QGHZKNVBZNJZGF-IEUSDUHPSA-N 419.613 4.399 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2c(C)cccc2C)c1 169707245 BOBCQUSHFSHQNZ-FQEVSTJZSA-N 416.525 4.183 0 1 HIAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(-c3ccc(Cl)s3)ccc1-2 209711258 LZXHBXHAACJBIV-OAHLLOKOSA-N 414.914 4.406 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(C(C)(C)C)nc2)ncc1F 221307299 BHYAELLNQQQSFQ-XJKSGUPXSA-N 401.486 4.463 0 1 HIAF CN=c1nc(NC2CCOCC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 473089006 QCTOGPRMJPIOCZ-UHFFFAOYSA-N 408.449 4.432 0 1 HIAF N[C@@H](N=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586961927 ZDVIOKCCSJSVPY-ZTOMLWHTSA-N 404.495 4.325 0 1 HIAF Cc1nn(Cc2nc3ccc(Br)c(F)c3[nH]2)c(C)c1Br 586978983 NCDRJXSIWAXUIG-UHFFFAOYSA-N 402.065 4.089 0 1 HIAF Fc1cnc(Cl)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 587000529 HOXNLTLGNOGGRE-UPHRSURJSA-N 410.630 4.455 0 1 HIAF FC(F)(F)[C@](F)(Cl)c1nc2c(I)cnc(Cl)c2[nH]1 587090770 XJXZDRMAWQQGIC-ZETCQYMHSA-N 413.927 4.139 0 1 HIAF COc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 587238863 GVZUTGCVAFGSPR-WTBBCNCBSA-N 401.507 4.127 0 1 HIAF COc1cc(C)c(N)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 587249009 HEXLOFGXMJQOOK-UHFFFAOYSA-N 412.085 4.049 0 1 HIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CO 587354908 WCDCNNDJMDUICE-LADGPHEKSA-N 408.425 4.307 0 1 HIAF O=C(O)C1=COc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587360452 VMGWNESECLNLML-XUZZJYLKSA-N 418.376 4.147 0 1 HIAF CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587379043 RJDMZTGQHPNRNE-VGSWGCGISA-N 401.890 4.377 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(Cc4ccccc4F)c4ccccc41)[C@@H](C2)C3=O 587428228 YDZFBPPOKSPVCO-AVRWGWEMSA-N 415.420 4.024 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1CCN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587444902 SMFRCOJSTCNKKQ-CVDCTZTESA-N 421.493 4.477 0 1 HIAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 587490559 YDSPLTJIUAURMB-HUUCEWRRSA-N 401.503 4.326 0 1 HIAF CCOC(=O)c1cnn(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)c1 587517528 PFTSLUYNJAVRNY-OAQYLSRUSA-N 417.465 4.029 0 1 HIAF CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587521833 BWEALTHKLPXNRR-DEOSSOPVSA-N 407.466 4.197 0 1 HIAF CCOC(=O)[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594708 HPCLTCWOAAVJHY-SQJMNOBHSA-N 418.445 4.289 0 1 HIAF O=C(O)C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587605111 XKYSCFPGSZDWLC-CGOGNOBXSA-N 402.402 4.211 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(C)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617396 PCSBHGVSTPCHKL-NZQKXSOJSA-N 408.406 4.104 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2N2CCOCC2)N1 587722563 SOBDUSHEVVGVLX-YUNKPMOVSA-N 423.301 4.188 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587740707 FCVSKAOECIACTJ-GIPWTMENSA-N 421.310 4.353 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]ccc2=NC(=O)C(C)(C)C)N1 587740767 FHYRMKIWXYVHHR-VOJFVSQTSA-N 420.326 4.013 0 1 HIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3csc(Br)c3)N12 962625031 AVGNXUWWWVWKQS-APWZRJJASA-N 417.328 4.247 0 1 HIAF NC[C@@]1(c2ccccc2Cl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640524 QXHJNPLPQWJTJB-BWKNWUBXSA-N 403.957 4.289 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2nccnc2NC(=O)OC(C)(C)C)N1 962940547 CWVZBSPRZDLCTG-PSLXWICFSA-N 407.518 4.493 0 1 HIAF Cc1c(O)ccc2c1[C@](c1cccc(Br)c1)(C(C)(C)C)N[C@H](C(=O)O)C2 963506919 GKOQZFMSTXWPPS-HRAATJIYSA-N 418.331 4.352 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1nc2cccc(C)n2c1Br 963637511 SNTXDJYKVITISC-ZMZPIMSZSA-N 416.319 4.046 0 1 HIAF COc1ccc(C(=O)N2CCC[C@H](c3ccccc3-c3cnc(N(C)C)nc3)C2)cc1 1772569815 JUZCSPMBSQLDCI-IBGZPJMESA-N 416.525 4.238 0 1 HIAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CC3)CC2)c1)c1ccc(Cl)cc1 1772593234 WUXOTSVBWOBCDK-UHFFFAOYSA-N 411.933 4.083 0 1 HIAF O=C1NC(=O)/C(=C\c2ccc(-n3ccc4c(Br)ccnc43)cc2)S1 1857618554 YAZFVSUANGBNBJ-NTEUORMPSA-N 400.257 4.112 0 1 HIAF Cc1ccc(-c2cn(CCn3c(=N)sc4cc(OC(F)(F)F)ccc43)nn2)cc1 1857634985 DXFUKQJIITVKDQ-UHFFFAOYSA-N 419.432 4.348 0 1 HIAF Cc1cccc(N2CCN([C@H](C(=O)NCc3ccccc3)c3ccco3)CC2)c1C 95568060 FTVAMHIRNVGSCP-DEOSSOPVSA-N 403.526 4.076 0 3 HIAF O=C(COc1ccccc1)N(C(=S)OCCOc1ccccc1)c1ccccc1 3648433 QNINKHGCRZZIGB-UHFFFAOYSA-N 407.491 4.479 0 1 HIAF CCc1nc2c(C)cc(C)nn2c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 26278221 OMOOGKDUWPGBMS-UHFFFAOYSA-N 409.497 4.346 0 1 HIAF C[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)N(C)C(=O)CCc1ccc(O)cc1 27561199 VFXDHFJSVIUCGU-CUVVAGTFSA-N 424.585 4.177 0 1 HIAF C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]2[C@@H](OC(=O)C(C)(C)C)C1 27986812 VOBAOLPIGHOVNW-GJYIOPSLSA-N 404.547 4.196 0 1 HIAF c1cc2oc(CCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1 28870105 SBGMZUWJZRPJOQ-UHFFFAOYSA-N 412.493 4.054 0 1 HIAF Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1C/C=C\I 38151826 QPBQHWRLVDNKCB-PLVMTXDNSA-N 409.311 4.399 0 1 HIAF Cc1ccc(CC(=O)NCc2ccc(-c3nc(C(=O)N4CCCCC4)co3)cc2)cc1 40567689 ZVQICDYKNHCRCG-UHFFFAOYSA-N 417.509 4.135 0 1 HIAF O[C@@H](COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 49090065 XSVDIPPEZOQKGV-OAQYLSRUSA-N 415.537 4.411 0 1 HIAF CN1CCN(c2ccc3cc2CCc2cccc(c2)Nc2nc(ncc2Cl)N3)CC1 82155455 RHSIIHDRBGUMAX-UHFFFAOYSA-N 420.948 4.468 0 1 HIAF COc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)c(F)c1 95585833 RPMLIDWSPWYESU-NRFANRHFSA-N 411.498 4.271 0 1 HIAF COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1Br 103538787 HFKVLRGUAIOKKK-INIZCTEOSA-N 403.280 4.357 0 1 HIAF Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2ncn3CC(C)C)nc1 142248054 OYPWRUYGRJLNLW-UHFFFAOYSA-N 414.513 4.091 0 1 HIAF O=C(Nc1ccc(C2=CCN(C(=O)C3=CCCC3)CC2)cc1)N1Cc2ccncc2C1 167091434 KORCMVPKGZHWQX-UHFFFAOYSA-N 414.509 4.355 0 1 HIAF CN(C)C(=O)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 167786163 NNSVFWYQCUGRHK-UHFFFAOYSA-N 415.482 4.075 0 1 HIAF COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C 169351441 FUXYSTKAKGRHGE-UHFFFAOYSA-N 416.470 4.484 0 1 HIAF CCC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 169709475 USDJWVFOFNTZFA-YOEHRIQHSA-N 407.436 4.345 0 1 HIAF O=S(=O)(NCCc1c[nH]c2ccccc12)c1cc(Br)c(Cl)s1 299859954 GFFPHNCWJPRDOK-UHFFFAOYSA-N 419.753 4.166 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](CC(=O)NCc1ccco1)C2=O 299870136 NSHKXWHQUTUXRS-OZCPBBFRSA-N 407.510 4.343 0 1 HIAF in-vivo Cc1cncc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 586956264 CDKSQSTYZVQPMI-UHFFFAOYSA-N 424.913 4.338 0 1 HIAF Oc1nc2cc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3cc2[nH]1 586984702 OVIAQFLXFARCHJ-QGZVFWFLSA-N 412.291 4.093 0 1 HIAF O=C(c1ccccc1)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587007779 DRKRVESTTCNIRW-UHFFFAOYSA-N 418.254 4.266 0 1 HIAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2c1 587033791 MUZXOBOLOGKWCW-CYBMUJFWSA-N 403.573 4.495 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3cccc(Br)c3[nH]2)C(F)(F)F)n1 587094133 KRVJGDNUEMJWMA-ZDUSSCGKSA-N 406.227 4.083 0 1 HIAF C[C@]1(c2ccc(NC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331003 CTMIWVFXYGZMQV-NFBKMPQASA-N 406.413 4.296 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccoc3)CC2)[C@@H]1c1ccc(F)cc1 587342287 DECKJOOYIFBTME-OAQYLSRUSA-N 421.424 4.158 0 1 HIAF Cc1cc(C)c([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 587347238 ARRSHYMLOJJBSA-RCZVLFRGSA-N 422.452 4.022 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(Cc4ccc(C)cc4)c4ccccc41)[C@@H](C2)C3=O 587436033 MJPWBQRCXOHBSE-RXFWQSSRSA-N 411.457 4.193 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cncc(I)c1)CC2=O 587471108 ZGPGMXRVADAMSY-INIZCTEOSA-N 409.223 4.051 0 1 HIAF CC[C@]1(c2ccccc2OCC(=O)N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587509070 XHHKUMXPSXYPCS-RUZDIDTESA-N 407.510 4.303 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(Cl)c2)n1 587547857 NWAFSRWWJXJDFM-SIKLNZKXSA-N 419.824 4.329 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581572 IBWHRTQBMUYROE-FQELHTAISA-N 411.454 4.122 0 1 HIAF C[C@H](Oc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C(=O)O 587592359 GSCUFGPJFLZVGM-OSZRXVRWSA-N 420.417 4.121 0 1 HIAF CC(C)S(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608794 SSVIUXHVEOOYPS-NZQKXSOJSA-N 424.474 4.277 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccncn2)s1 587614757 UCYYKLVFWHVTIG-PXNSSMCTSA-N 403.419 4.009 0 1 HIAF Cc1cccc(C(=O)Nc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)c1 587652178 NKRYODWQCYCTOM-UHFFFAOYSA-N 417.852 4.299 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 587701789 CNBWQVORKPBKOY-BCTVWOGZSA-N 423.717 4.455 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]ccc2=NC(=O)C(C)(C)C)N1 587739566 AXDAGMALYNOSFG-ZMZPIMSZSA-N 420.326 4.013 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCCc2ccccc2)N1 587754025 IUUJBFYGPJHYFI-SPLOXXLWSA-N 419.338 4.087 0 1 HIAF CC(=O)N(c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1)C1CC1 587851891 DCGNHDKELNFQGQ-VVVCHXIZSA-N 424.339 4.184 0 1 HIAF CCOc1ccccc1OCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867378 CHJQWTKUHREWMI-UHFFFAOYSA-N 421.375 4.090 0 1 HIAF COc1cc([C@@H]2NCCc3cc(C)c(F)cc32)c(Br)c(Cl)c1O 962296218 FORNHFSEGYFMFF-MRXNPFEDSA-N 400.675 4.499 0 1 HIAF Cn1cccc1CN1CCc2sccc2[C@]12CCCc1c2cnn1-c1ccccn1 962397095 JIAYUTOQCTVQEE-DEOSSOPVSA-N 415.566 4.306 0 1 HIAF COc1ccc(O)cc1[C@@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962628161 ACZRIOFIBNLHIX-HFZDXXHNSA-N 400.522 4.411 0 1 HIAF CCN1C(C)=C[C@]2(c3cc(OC)c(OC)cc3C[C@H](C)N2C)c2cc(C(=O)O)ccc21 962633979 POIAVLBQTSPOOU-MQNRADLISA-N 422.525 4.266 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(Nc3nn[nH]n3)C[C@@H](CC(C)C)C2)N1 962944248 HLAHQHQVPYSGGI-CKNGIIGNSA-N 405.550 4.253 0 1 HIAF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(F)cc1)c1cc2c(cc1N)OCCO2 963016937 CVQWCLJBAPSFJP-QHCPKHFHSA-N 410.514 4.295 0 1 HIAF O=C(NC[C@H]1CCCO1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772581703 GQNNJGGHGDKXPM-MRXNPFEDSA-N 417.387 4.350 0 1 HIAF Cc1ccc(-c2ccccc2CNc2c(C)nc3c(N4CCOCC4)nccn23)cc1 1772618030 WFSWFHMXSDBTSD-UHFFFAOYSA-N 413.525 4.462 0 1 HIAF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCCC[C@H]2C)cn1 1772639234 STLVAHIPHWAEBN-ACJLOTCBSA-N 407.345 4.437 0 1 HIAF FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccncc4)CC3)ncnc2s1 1857550821 DZMGBGPNEGYEAC-UHFFFAOYSA-N 407.465 4.268 0 1 HIAF COc1ccc([C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2ccno2)cc1 1857640529 JVHYBXVQYDVUSC-OAQYLSRUSA-N 421.497 4.433 0 1 HIAF COC(=O)C=C[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 2356808753 AJOPHDUNANPFKQ-SHOZXRGMSA-N 404.591 4.342 0 1 HIAF O=C1Nc2ccccc2N(C(=O)c2c(F)cccc2F)[C@@H]1c1nc2ccccc2[nH]1 95605115 PQGKRBZQCNTSRC-LJQANCHMSA-N 404.376 4.181 0 3 HIAF Cc1ccc(Cl)cc1NC(=O)C1=CNN2C1=N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 103999622 MCHJGQTWHCYKEP-GOEBONIOSA-N 424.810 4.358 0 3 HIAF COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 2489245 MKDDBRWMNLLQTH-OAQYLSRUSA-N 400.563 4.465 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCN(CC)CC 4213572 LQAHVNXZHQXNRR-VXKWHMMOSA-N 403.567 4.167 0 1 HIAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4296188 OSFWGZVZPVATPD-TZIWHRDSSA-N 417.912 4.029 0 1 HIAF CC(=O)Oc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OC(C)=O 27110227 AXFGCSGIWNNJSU-UHFFFAOYSA-N 422.462 4.212 0 1 HIAF CCOC(=O)C1=CN(C(=O)c2ccc(OC)cc2)C[C@@H](C)c2c1[nH]c1ccccc21 34450939 CBDVUOINKZEDHQ-OAHLLOKOSA-N 404.466 4.340 0 1 HIAF COc1ccc(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 73224818 WHOUXHGCNCXIJW-UHFFFAOYSA-N 402.494 4.446 0 1 HIAF CCCc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCN1CCCCC1 82179698 YJTKSJGLSAFZQQ-UHFFFAOYSA-N 410.541 4.058 0 1 HIAF COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)C1CCCC1)[C@@H](CO)N2 95869247 CPFYXLYEJJVGPX-ZFJSRUIDSA-N 406.526 4.228 0 1 HIAF CCCC[C@@](C)(O)[C@@H]1C[C@]2(C)C=C[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 96941736 NBXXYUJPXCRTQC-LIYPSYQPSA-N 409.570 4.175 0 1 HIAF COC(=O)C1=C(O)C[C@H](c2ccccn2)N(Cc2ccccc2)[C@@H]1c1ccccn1 100073446 SZIIAHZAMFWMPQ-NFBKMPQASA-N 401.466 4.150 0 1 HIAF O=C(O)c1ccc(S(=O)(=O)N(CCCc2ccccc2)Cc2ccccc2)cc1 103252193 MBXLEUGKMIVXQO-UHFFFAOYSA-N 409.507 4.209 0 1 HIAF CC[C@H](C)C(=O)O[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 104892974 PCZOHLXUXFIOCF-MVCTUYKOSA-N 404.547 4.196 0 1 HIAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nncs4)ccn23)c1 139572105 LQPWGBNYJQXJQQ-UHFFFAOYSA-N 418.404 4.204 0 1 HIAF Cc1nn(Cc2ccccn2)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2 200986570 AZNSWMOAXXYNFT-UHFFFAOYSA-N 414.440 4.439 0 1 HIAF C[C@H]1c2ncn(-c3ncccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 218543692 ZINCTGFMRAWIIS-NSHDSACASA-N 421.810 4.094 0 1 HIAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cccc(Oc2ccccc2)c1 226134143 AEQXLYPLJRGDNI-RZQQEMMASA-N 420.469 4.148 0 1 HIAF C[C@H](CCOC(=O)CC(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=CCC[C@@H]31 238759686 TWOCQGFTXUVTCY-XMBLCWLWSA-N 406.519 4.127 0 1 HIAF COc1ccc(-c2cnc(N3C[C@H](N)[C@H](c4ccc(Cl)cc4Cl)C3)nc2)cc1 253660067 MGPCIBLVBGADEC-ICSRJNTNSA-N 415.324 4.390 0 1 HIAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H]2OC[C@@]2(CCCc2ccccc2)C[C@H]3[C@H]1C5 253696945 AFNNIVJCAOZVSR-CIGYDSMPSA-N 417.549 4.079 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(C(C)C)cc1 299877847 HYVOCIKAAIMKKV-WLZNGNGHSA-N 408.542 4.425 0 1 HIAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(O)c2[nH]1 586984582 SWMFBVWZEBTOEP-LLVKDONJSA-N 411.097 4.036 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5ccc(N(C)C)cn5)nc4c3)o2)cc1 587194820 OVMHHKLVMZPROO-UHFFFAOYSA-N 412.453 4.417 0 1 HIAF CCOC(=O)CNc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587226908 FVAIGSIOOOFHNU-UHFFFAOYSA-N 409.671 4.016 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1)c1c(CO)oc2cc(Br)cnc12 587276711 SXKMREAXKZFUJB-UHFFFAOYSA-N 400.150 4.332 0 1 HIAF CCOC(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333867 DAAHVJKMWBALPI-UPVQGACJSA-N 421.424 4.134 0 1 HIAF C[C@@]1(CC(=O)OCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593714 MUIYJEMSSOVPCE-QPPBQGQZSA-N 404.418 4.246 0 1 HIAF C[C@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610091 PMAXMISAPLLBLY-YFZAPBQNSA-N 406.478 4.444 0 1 HIAF COC(=O)C[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587734126 SUCCZQNWSKGWLV-NSPYISDASA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(C2CC2)N1 587759044 ZYIFXRQBZZFWAV-WYRIXSBYSA-N 413.331 4.252 0 1 HIAF CC(=O)N1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1 587769748 PWEJDAYTOZITEM-ASSNKEHSSA-N 417.322 4.118 0 1 HIAF C/C(=C/[C@]1(c2nccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587853881 OJYQGGAVMLTEMG-NAARQQAQSA-N 410.356 4.288 0 1 HIAF CN(C)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 653663066 RYPRRKODVUFWOR-UHFFFAOYSA-N 424.884 4.300 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCCN(C(=O)Oc2ccccc2)CC1 963634068 IWPLGWMGJCSCOL-XDHUDOTRSA-N 410.514 4.118 0 1 HIAF COC(=O)c1sc2ncc([C@@H]3N[C@@H](C)Cc4c(OC)ccc(OC)c43)cc2c1C 963635132 LMQJUMOJMLEHKF-WLRWDXFRSA-N 412.511 4.032 0 1 HIAF CO[C@H]1C[C@H](NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772619363 OZPQQOAEDWJSOZ-KOMQPUFPSA-N 417.387 4.348 0 1 HIAF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)c(Cl)[nH]1 1857566829 YXFWGLRTTMRGLM-HNNXBMFYSA-N 422.316 4.326 0 1 HIAF CC(=O)c1ccc(NC(=O)N[C@H]2CCCCN(Cc3ccc(Cl)cc3)C2=O)cc1 199718080 LYNBRSLJEADPFK-FQEVSTJZSA-N 413.905 4.245 0 3 HIAF CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 768698 OQPYEYVETXDPGO-RBBKRZOGSA-N 412.917 4.414 0 1 HIAF CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 776841 NAQWPDNCSYPDQS-ZDUSSCGKSA-N 406.816 4.441 0 1 HIAF CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCCCN3CCCC3)cc21 3060496 KSFPVJIWLWWZME-UHFFFAOYSA-N 409.555 4.034 0 1 HIAF CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cc3ccccc3s2)ccc1=O 25225147 ZNYAYCOQEGNBDR-WBVHZDCISA-N 407.539 4.267 0 1 HIAF biogenic CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@@]21C 26387056 WNENMRZSIGSSCW-JCQWRLOUSA-N 400.607 4.190 0 1 HIAF CC(C)n1cnc2c(NCCCc3ccccc3)nc(N3CCCC[C@@H]3CCO)nc21 26466685 HDUUTDGTSLJCBL-HXUWFJFHSA-N 422.577 4.193 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3CCC(O)CC3)CN(C)[C@@H]1C2 27517935 NIKORHQFCQVBNS-IYPWOHODSA-N 410.558 4.029 0 1 HIAF Cc1cccc(CNc2cc(C(F)(F)F)nc(-c3ccc(S(C)(=O)=O)cc3)n2)c1 29132571 SNFGCKVCPRRLSV-UHFFFAOYSA-N 421.444 4.486 0 1 HIAF COc1c(Cl)cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc1Cl 40901207 HGMRNJOTNMAFQT-INIZCTEOSA-N 406.221 4.099 0 1 HIAF O=C(Nc1nc2ccccc2s1)C(Br)(C(F)(F)F)C(F)(F)F 68574019 XUKSXUFMXQKZIG-UHFFFAOYSA-N 407.133 4.493 0 1 HIAF biogenic O=C1N(Cc2cccc(Cl)c2)c2cccn2S(=O)(=O)N1Cc1cccc(F)c1 96938774 VNJKXCOMSCSJKJ-UHFFFAOYSA-N 419.865 4.016 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(N)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O 103254076 BPRHHWDIEXAZQN-RYZVYYIHSA-N 404.554 4.054 0 1 HIAF CN(CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C[C@H]1CCCN1 146495229 JZVFEMOMOICKER-HXUWFJFHSA-N 421.614 4.259 0 1 HIAF C[C@@H](Oc1cc(-c2ccc(OC(C)(C)C)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 147829762 OCXKVRKWKPTLPH-CRAIPNDOSA-N 405.498 4.378 0 1 HIAF Cc1nc([C@](C)(NC(=O)c2cc(O[C@@H](C)C(F)(F)F)c(C3CC3)cn2)C2CC2)no1 149208027 KWDRDSMKCSDYLL-APBUJDDRSA-N 424.423 4.035 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(Oc4cccnc4)c3)C2)cc1 169709278 VPOSIOBJGYHDJM-GAJHUEQPSA-N 418.497 4.124 0 1 HIAF C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(N)CC1(F)F 204922884 QSPXDRZNKJEHEU-KJQHQIRPSA-N 423.463 4.184 0 1 HIAF CC[C@@H](c1nc2cc(Cl)c(F)cc2[nH]1)n1cc(I)c(C)n1 587184562 CERDXSJXQFGEJF-ZDUSSCGKSA-N 418.641 4.464 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN(C)C)(c1ccc(Br)cc1)O2 587370080 BILNGMMTOUMSKT-FQEVSTJZSA-N 403.320 4.152 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CC[C@H](NC(=O)OCc3ccccc3)CC1)O2 587386081 HLAAYFGHAXKJJL-SPEDKVCISA-N 408.498 4.396 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)cc2C(=O)c2ccc(O)cc21 587476544 CTOBZLWJWXAUHX-RUZDIDTESA-N 416.429 4.209 0 1 HIAF CNC(=O)Oc1cccc2c1OC(C)(C)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587513421 SJOCVZPJCHCQLI-XMMPIXPASA-N 407.466 4.315 0 1 HIAF O=N[C@@H]1CCn2c(O)nc3cccc(c32)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521220 ANOZTMBXBZGVPT-XXBNENTESA-N 403.438 4.020 0 1 HIAF Cc1cc(C)cc(-n2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c1 587764829 RKIKKJWUEVNWKN-XCLFUZPHSA-N 415.310 4.409 0 1 HIAF CCOC(=O)COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587790744 GEMVSTDRCQVNQQ-MPBGBICISA-N 422.294 4.154 0 1 HIAF C=Cc1ccsc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC 653864168 SOKPHGVJQKQUCX-UHFFFAOYSA-N 418.902 4.272 0 1 HIAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2cc(F)c(Cl)cc2F)N1 962644141 TWJVVHPNNSTKAD-IUODEOHRSA-N 407.722 4.205 0 1 HIAF O=C(O)c1cccc2c1[C@]1(c3ccc(F)cc3C[C@H]3CCCN31)c1ccccc1C2=O 963089195 GDBJAALEUHVUTH-QUGAMOGWSA-N 413.448 4.381 0 1 HIAF Nc1c(C=O)ccc2c1C(=O)c1ccccc1[C@@]21c2c(F)cccc2C[C@H]2CCCN21 963102713 FYSBIUOXFXQVEZ-QUGAMOGWSA-N 412.464 4.077 0 1 HIAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)c1cccc(Cc2ccccc2)c1 1857590534 AMASCGNIDYPNAN-CLOONOSVSA-N 402.538 4.347 0 1 HIAF Nc1ncnc2c1c(-c1ccc(Br)c(O)c1)nn2[C@@H]1CCc2ccccc21 1857638925 ARUHNGYBTHMQAU-OAHLLOKOSA-N 422.286 4.079 0 1 HIAF CCOC(=CC(C)(C)O)CC(C)=CCOc1c(OC)cc(C=CCO)cc1OC 2356557000 WEYUEBJEXMHHGK-UHFFFAOYSA-N 406.519 4.116 0 1 HIAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CSCC(=O)N1CCc1c[nH]c2ccccc12 95600534 SFVBYCASHVEAHD-XMMPIXPASA-N 421.566 4.300 0 3 HIAF O=C(c1ccccc1C(F)(F)F)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 206055438 VFBCBKJJLHPNNE-ABAIWWIYSA-N 412.770 4.373 0 3 HIAF Cc1sc2nc(CN(C(=O)NC3CCCCC3)C3CCCC3)[nH]c(=O)c2c1C 8772978 FEBDZBPQEBMHNO-UHFFFAOYSA-N 402.564 4.388 0 3 HIAF O[C@H](COc1ccccc1-c1nc2ccccc2o1)CN1CCC[C@H]1c1cccnc1 58512656 FNEBLCTZWCYYMQ-UGKGYDQZSA-N 415.493 4.467 0 1 HIAF C[C@H]1N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2C1(C)C 22941312 WIDARYDIQORZIK-GOSISDBHSA-N 411.977 4.171 0 1 HIAF CC[C@H](O)[C@H](O)n1c(=O)c(-c2ccccc2C)c(-c2ccncc2)c2ccccc21 29040021 DUVVQFBTVHFVNE-URXFXBBRSA-N 400.478 4.301 0 1 HIAF Cc1ccc2c(=O)n3c(nc2c1)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1-3 61949302 KOQWHZZAOXCDBO-FQEVSTJZSA-N 415.880 4.375 0 3 HIAF C[C@@H]1c2nc(NC(=O)c3ccco3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356638038 PNAPMQNOFRGBAP-PRAVCRJKSA-N 400.500 4.242 0 1 HIAF CC1=C[C@H](CNCc2cccnc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356873926 YKDOCRYUPUTPTB-PWRODBHTSA-N 420.561 4.052 0 1 HIAF NC(=O)Nc1c(C(=O)O)n(Cc2cc(F)ccc2F)c2ccc(C(F)(F)F)cc12 72181033 GVARIWZSFJWCIK-UHFFFAOYSA-N 413.302 4.175 0 1 HIAF CC(=O)Nc1cccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)c1 219777938 QVMMKPSLTGLMFQ-VWLOTQADSA-N 416.521 4.110 0 1 HIAF C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 219956245 RARJQAOGTFMPFZ-GPQLQYNLSA-N 402.572 4.406 0 1 HIAF in-vitro CCN1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc32)CC1 71294664 OYZYYVWBGXJDCM-UHFFFAOYSA-N 414.557 4.275 0 1 HIAF C[C@H]1c2ncn(-c3cnccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 221714769 MGIXWTWNCJHXKS-NSHDSACASA-N 421.810 4.094 0 1 HIAF CNc1nccc(-c2nc(C3CCNCC3)[nH]c2-c2cccc(C(F)(F)F)c2)n1 45498064 RHBGODQVOKDULK-UHFFFAOYSA-N 402.424 4.061 0 1 HIAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3cc[nH]c23)cc1 225950751 DYSQXKMVHOEHRN-IZZDOVSWSA-N 403.463 4.048 0 1 HIAF CC(C)(C)NC(=O)[C@@H](c1ccccc1F)n1c(=O)c(-c2ccco2)nc2ccccc21 95571115 FJRLTZKWQAXEAI-OAQYLSRUSA-N 419.456 4.300 0 3 HIAF Cn1c(=O)c2c(c3ccccc31)[C@@H]1c3c(c4ccccc4[nH]c3=O)OC(C)(C)[C@@H]1C=C2 238772355 QQEGIBWXOKMXRY-DYESRHJHSA-N 410.473 4.326 0 1 HIAF CO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 617980980 KDJPDCJHLXUCQD-QOJBNDRUSA-N 422.485 4.485 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 261185781 XKJMEYZUIQYALK-QAQDUYKDSA-N 415.969 4.317 0 1 HIAF Cc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)cc1 299868418 RHZXDVCKUWPBFF-VWNXMTODSA-N 417.534 4.170 0 1 HIAF O=C(O)c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2c1O 653727926 OWKIKZUVFQBYSV-UHFFFAOYSA-N 411.357 4.063 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 587350148 WUOAYHAEUKGWGC-URXFXBBRSA-N 417.392 4.352 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccncn3)s2)N1 587851860 CZAPJOYYWXNCBJ-FVMDXXJSSA-N 405.296 4.125 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(CCO)cc4[nH]3)c(F)c2)c1 587147173 JOXLNLVNDOMYAM-UHFFFAOYSA-N 406.413 4.278 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583777 UUAMWISPPMSKSU-WZONZLPQSA-N 411.454 4.124 0 1 HIAF COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498072 CRRYQYSMACFLCI-QHCPKHFHSA-N 412.869 4.212 0 1 HIAF Cc1nn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Cl 587656253 DJJQGKLWAUTLKZ-UHFFFAOYSA-N 410.836 4.010 0 1 HIAF CCOC(=O)C[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610314 FLQLZRUVUFSGNA-DENIHFKCSA-N 410.447 4.264 0 1 HIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)n1 587079198 HXUKDQCGKFDPHX-GFCCVEGCSA-N 409.943 4.081 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)cnc1C(=O)OCC)CC2=O 587462950 RUHPSQDDLPSWPM-NRFANRHFSA-N 403.862 4.450 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(O)ccc32)N1 587779649 VFQQOGPIPGRPDW-PRWKNARSSA-N 405.311 4.439 0 1 HIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)cnc3[nH]2)c1 587200546 HWAATWDCUFWOMK-UHFFFAOYSA-N 416.279 4.237 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(C)c(C)c1)CC2=O 587485960 XQCWAZBMNMZRTN-VWLOTQADSA-N 424.493 4.345 0 1 HIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587242705 XSHZAXCDVPLPMM-UHFFFAOYSA-N 406.530 4.437 0 1 HIAF COc1ccc2[nH]c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587778224 LRSNDUDZAMNPDS-GIGQVBGESA-N 417.278 4.062 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587704311 JCWQDWNQHWKYCO-ILMHXZGMSA-N 420.269 4.316 0 1 HIAF CN(C(=O)OC(C)(C)C)C(C)(C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571441 KTJKDAVXAQBWAA-XLIONFOSSA-N 413.470 4.368 0 1 HIAF C[C@@]1(c2ccc(F)cc2OC(F)F)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962761932 IHHBMRPGECOBJM-KBXCAEBGSA-N 403.322 4.336 0 1 HIAF O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 1772615168 ZVLPSUNYLJAOCF-UHFFFAOYSA-N 408.864 4.471 0 1 HIAF Oc1ccc(-n2cc(-c3ccc4cc(OC[C@H]5CCCCO5)ccc4n3)nn2)cc1 1772645285 MZWRVGDSMYGZTM-HXUWFJFHSA-N 402.454 4.136 0 1 HIAF CO[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 11874727 CTJDGZKXUNHJET-RUZDIDTESA-N 422.569 4.024 0 3 HIAF Cc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1 13493394 FVMOHEFQXYYGSP-XNTDXEJSSA-N 407.495 4.030 0 1 HIAF O[C@@H](CNCc1ccccc1OCc1cccnc1)c1cc(Br)cs1 14966909 ZAXUDCRARHWQBN-KRWDZBQOSA-N 419.344 4.308 0 1 HIAF COc1ccccc1NC(=O)c1cc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)ccc1Cl 15895294 AIWKKWKSRNPGGX-RNWGTBAESA-N 424.884 4.136 0 1 HIAF COc1cc(C(=O)O[C@@H]2CCC3=C(C[C@@H](N4CCCCC4)C3)C2)cc(OC)c1OC 169343100 QQDPQVJKMPLQGN-VQTJNVASSA-N 415.530 4.367 0 1 HIAF CCCCn1c(O)c2n(c1=O)[C@@H](c1ccc(OC)cc1)c1c(c3ccccc3n1C)C2 169717802 GEEVBQJPONUBOQ-QFIPXVFZSA-N 417.509 4.198 0 1 HIAF CC1(C)Oc2ccc(Nc3nc(NCC(F)(F)F)c4occc4n3)cc2NC1=O 166703928 XITRJNOBNCFWMW-UHFFFAOYSA-N 407.352 4.050 0 1 HIAF CC[C@H](C)C(=O)O[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 203194263 PCZOHLXUXFIOCF-QQRVGJTPSA-N 404.547 4.196 0 1 HIAF c1ccc2nc(-c3nc4ccccc4s3)c(NCCCN3CCOCC3)nc2c1 1857616749 ASFWAVHWMXZQLE-UHFFFAOYSA-N 405.527 4.041 0 1 HIAF Cc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@H]3CCCc4ccccc43)c(C)o2)cc1 5058035 TUKPYDBIIZTJDX-JRPXNJEYSA-N 422.550 4.401 0 1 HIAF Cc1cccc(C(=O)NCc2nc(-c3ccccc3NC(=O)[C@@H]3CCCO3)oc2C)c1 11971133 FZIFGERSZABFOA-NRFANRHFSA-N 419.481 4.006 0 1 HIAF C[C@@](O)(COc1ccccc1)c1ccc2c(c1)CN(C/C=C/c1ccco1)CCO2 12127530 BLEFYBRNCYLFRR-DSCGJTOLSA-N 405.494 4.474 0 1 HIAF O=C1CN2CCc3cncn3Cc3cccc(c3)Oc3ccc4cccc(c4c3)N1CC2 13440911 BJSYVDIHBYVMSH-UHFFFAOYSA-N 424.504 4.082 0 1 HIAF Cc1cccc2c1c(-c1ccc(F)cc1)cn2C1CCN(CCN2CCNC2=O)CC1 13731242 UFCWWRYYWMLFPE-UHFFFAOYSA-N 420.532 4.418 0 1 HIAF NCc1ccccc1C1(O)CCN(C(c2ccccc2F)c2ccccc2F)CC1 28817227 DJMODDBWKMZAEH-UHFFFAOYSA-N 408.492 4.497 0 1 HIAF CCc1cc(-c2ccc3c(c2)C[C@@H](CC(=O)NCc2ccccn2)C3=O)ccc1O 29123362 LMWFQZGNRJWZBY-FQEVSTJZSA-N 400.478 4.078 0 1 HIAF COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OC[C@H](O)CO)cc1 38558965 YDDPQONJKPRFEC-QQSVUBKYSA-N 404.506 4.289 0 1 HIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)Cn3cnc4c(Cl)ncnc43)C[C@@H]1O2 40413736 QCBZUAYNEKGAST-RBOXIYTFSA-N 412.877 4.022 0 1 HIAF O=C(NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1)C1CC1 72103439 HKIADOMZSFUNHM-HXUWFJFHSA-N 403.448 4.180 0 1 HIAF CCN(CC)C(=O)CN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1 73222342 WVNZODFRLMLDAL-HXUWFJFHSA-N 422.548 4.272 0 1 HIAF CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 84703585 FYORWZLSSDRCRA-UHFFFAOYSA-N 401.923 4.294 0 1 HIAF CC(C)Nc1nc2cnncc2nc1N1CCC([C@H](F)c2ccc(F)cc2F)CC1 144357783 OHOTWVMGAUZQIJ-IBGZPJMESA-N 416.451 4.446 0 1 HIAF COc1cc(/C=C/C(=O)N2CC[C@@H](n3c(C)cc4ccccc43)C2)cc(OC)c1OC 169348268 YVJOCWMHXQCTIN-SQUSKLHYSA-N 420.509 4.462 0 1 HIAF CC(C)Oc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1Br 586967455 YDFFHKKBWTUXKP-UHFFFAOYSA-N 422.304 4.498 0 1 HIAF C=CC(=O)Nc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 587243724 KODWBBYQSJYROB-UHFFFAOYSA-N 422.080 4.274 0 1 HIAF C[C@]1(c2ccc3oc(N)nc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336715 OGLKFMYAKOYSMJ-NZQKXSOJSA-N 404.397 4.529 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(COc1ccc4c(C)c(C)c(=O)oc4c1)[C@@H](C2)C3=O 587454104 RQFAOOUKIQZUNU-UUOWRZLLSA-N 406.434 4.004 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(OC)c1NC(=O)C(C)(C)C)CC2=O 587471629 USCQJASVRJOGCB-SFHVURJKSA-N 412.486 4.439 0 1 HIAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)=O 587592173 IQRWHCYVDHKUDY-QPPBQGQZSA-N 420.417 4.203 0 1 HIAF CC1(C)Cc2nc(N)sc2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587616787 GYVQYATZYMLWPL-OPAMFIHVSA-N 408.479 4.260 0 1 HIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(N(C)C)cc1 587623329 QCSWOKXAAHVYFM-UHFFFAOYSA-N 412.291 4.433 0 1 HIAF COc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587745493 WHDCTSMTNAJDMS-ODXCJYRJSA-N 421.310 4.375 0 1 HIAF COCCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587789924 DGSOFOHIAMYXBJ-RBZFPXEDSA-N 408.311 4.411 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC[C@H]3CO3)cc2)N1 587834392 RDSMMJMFUAAQBC-ADYAMRHXSA-N 406.295 4.164 0 1 HIAF CN1CCc2c(Br)cccc2[C@@]1(c1ccc(F)cc1)[C@H]1CCCNC1 963290954 ZCYHSZNODRABEI-HRAATJIYSA-N 403.339 4.319 0 1 HIAF COc1ccc2c(Oc3ccc(NC(=O)CN4CCC[C@H](C)C4)cc3)cc(=O)oc2c1 1857567874 XQSRGQJMNHQGGY-INIZCTEOSA-N 422.481 4.264 0 1 HIAF CCCC[C@H](CC)C(=O)OC[C@]1(CO)CC(=Cc2ccc(Cl)c(F)c2)C(=O)O1 1857624410 ZNLUECRWFKKEBI-YCRPNKLZSA-N 412.885 4.300 0 1 HIAF Cc1c(-c2nnc(S)n2-c2ccc(C(F)(F)F)cc2)nnn1-c1ccccc1 8684173 RNDIVAXBBKFQBI-UHFFFAOYSA-N 402.405 4.131 0 3 HIAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4054640 OGDOVIGXOQRDQR-VWPQPMDRSA-N 414.933 4.442 0 1 HIAF COc1cc(C)c(CN2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)cc1C 12031135 HDSVSPVHIPDKFM-VWLOTQADSA-N 404.510 4.183 0 1 HIAF O[C@@H](CCN1CCN(c2cccc3c2OCCCO3)CC1)c1csc2ccccc12 13491140 GSUYNCSYMOXEEO-NRFANRHFSA-N 424.566 4.308 0 1 HIAF CS(=O)(=O)c1ccc(/C(=C\C2CCCC2)C(=O)Nc2ccccn2)cc1Cl 34231059 OYDGJORZWPQIQE-FOWTUZBSSA-N 404.919 4.351 0 1 HIAF COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(Br)cc4)CC3)c12 35817781 YCAAJJCVIFKZBL-UHFFFAOYSA-N 415.331 4.423 0 1 HIAF CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1 40954125 MNZXUJMLYMHIPK-UHFFFAOYSA-N 408.590 4.204 0 1 HIAF in-vitro O=C1Nc2ccc(Cl)cc2[C@@](CNC(=O)c2ccccc2F)(C(F)(F)F)O1 45284293 VVCOFLHFXDJSKZ-INIZCTEOSA-N 402.731 4.229 0 1 HIAF CC(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCN1CCCCC1 82179638 VKUVBTHYUHIRNZ-UHFFFAOYSA-N 424.568 4.304 0 1 HIAF Oc1cccc(-c2nc3c(NCc4cccs4)ncnc3n2C[C@H]2CCCO2)c1 82222796 QYIJJJHMJXJRGH-MRXNPFEDSA-N 407.499 4.052 0 1 HIAF Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2c(Cl)cccc12 95573368 TTYPEICBBIVUBR-VQTJNVASSA-N 409.917 4.225 0 1 HIAF COC(=O)[C@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 101090679 FNAOGECRNHWQIQ-IVAOSVALSA-N 401.453 4.095 0 1 HIAF N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1Cl 219511730 JONVMVCPXBMHHN-UHFFFAOYSA-N 416.871 4.133 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3c(C)nc(C)cc3[nH]1)C(=O)OC2 586916313 XROPLIUPYPSDKI-SDQBBNPISA-N 421.497 4.389 0 1 HIAF Oc1c(Br)ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587121658 JKXVOJSWGQGBRO-UHFFFAOYSA-N 413.153 4.473 0 1 HIAF C[C@@]1(c2ccc3nc(O)[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344851 HMJKUNFNUZUQBE-OFNKIYASSA-N 404.397 4.388 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345291 IOMNKQQSBJOTBK-YKSBVNFPSA-N 421.424 4.457 0 1 HIAF COc1ccc([C@H](O)[C@@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403464 MKDPPKDSRHVDFN-DQEYMECFSA-N 419.477 4.189 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1)O2 587407726 IXJDRRRWGXEQLS-IZHWHUGBSA-N 407.466 4.492 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CN4CCC[C@@H](C)C4)c1)[C@@H](C2)C3=O 587439828 WTZVTUGELNXAPI-JUCRVNNTSA-N 407.510 4.424 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccc(C(=O)O)c4)cc1)[C@@H](C2)C3=O 587442176 IRUWTHZHABASQT-RDPSFJRHSA-N 416.429 4.461 0 1 HIAF COC(=O)c1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587590161 RPBGSJCBAAHDMY-NZQKXSOJSA-N 415.401 4.363 0 1 HIAF COc1ccc2occ([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1 587606199 CECKVCAQZCSRAE-YKSBVNFPSA-N 416.385 4.210 0 1 HIAF C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612479 UYLLNJLFLYMEIS-CGOGNOBXSA-N 404.418 4.330 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2Br)N1 587680355 PNODDUGTDNLJOR-ANRSDYALSA-N 400.089 4.369 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587727222 BDPSLWFGBRXPBI-MPBGBICISA-N 424.285 4.458 0 1 HIAF COc1ccccc1[C@@]1(CNC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587754401 JPNHIRDGIGIGJU-LHSJRXKWSA-N 421.354 4.373 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587800186 VTZIKYJLFSQHKS-ODXCJYRJSA-N 422.294 4.025 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587810469 XMXUYBFCOUUNCB-DGIBIBHMSA-N 408.267 4.146 0 1 HIAF Cc1csc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)n1 587852089 KEYHXPUEKCPEBN-NSHDSACASA-N 410.356 4.383 0 1 HIAF CCOc1cc(C)c(CNC[C@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C 653845113 QNCJRHLHDZRTPZ-QFIPXVFZSA-N 407.514 4.259 0 1 HIAF COC(=O)c1cc([C@@]2(c3ccc(OC)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c[nH]1 963109168 UMZOSFZOLHABQN-NLFFAJNJSA-N 420.484 4.261 0 1 HIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 963220858 IUJCLBZBMUCOHR-HKUYNNGSSA-N 422.353 4.275 0 1 HIAF CN1CCO[C@@](OCCCO[N+](=O)[O-])(c2ccc(-c3ccc4ccccc4c3)cc2)C1 1857568777 AMEBGLBGLYSLBF-XMMPIXPASA-N 422.481 4.237 0 1 HIAF COc1ccc(/C=C/C(=O)O[C@H]2Cc3c(ccc4ccc(=O)oc34)OC2(C)C)cc1 1857752113 UKVARNNDYSTSBZ-YLZBSDIZSA-N 406.434 4.140 0 1 HIAF CSc1cccc(NC(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN(C)c2ccccc2)c1 2356298173 ZNVZYRGDFZIKFP-KNKQGSTJSA-N 424.614 4.377 0 1 HIAF CC1(C)CN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1CCO 22937983 UNEFAEQTOYZREV-RBBKRZOGSA-N 402.941 4.444 0 1 HIAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCc1cccs1 25430226 VOUABYGCUDMSHK-SJORKVTESA-N 415.559 4.343 0 1 HIAF biogenic C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C)n1)c1ccccc1 28524766 BULLPLUFYNDPOJ-HNNXBMFYSA-N 403.461 4.160 0 1 HIAF CCOc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1 34858171 ZPSMEKOTBNQXEE-UHFFFAOYSA-N 413.477 4.409 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1O 36189315 BGGSGEZOWWTTGS-PJWYAHGOSA-N 408.542 4.244 0 1 HIAF CC1(C)c2[nH]c3cc(Cl)c(Cl)cc3c2C[C@]23CN4CCC[C@@]4(C[C@@H]12)C(=O)N3 58623505 GZGGCZADGIBRHT-ORYQWCPZSA-N 404.341 4.032 0 1 HIAF O=C(NCc1cccnc1Cl)c1cncc(-c2ccc(OC(F)(F)F)cc2)n1 64390649 RJLVNBBRFOUABG-UHFFFAOYSA-N 408.767 4.021 0 1 HIAF COc1ccc(N2C[C@@H](C)[C@H](CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 72136565 UKIIEMBBEIPALE-ACJLOTCBSA-N 417.303 4.085 0 1 HIAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(Br)oc2c1 72181641 UOSNIQFPVNZJES-UHFFFAOYSA-N 421.243 4.461 0 1 HIAF COc1cc2c(c(OC)c1C(=O)CC(=O)c1ccc3c(c1)OCO3)C=CC(C)(C)O2 100104930 QCDMTOVBPFQXMT-UHFFFAOYSA-N 410.422 4.072 0 1 HIAF biogenic,in-vitro CCOC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C 100912975 FRGNNZYHLRTEQP-YUMYIRISSA-N 415.480 4.485 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccc(Cl)cc2)nn1C 103177460 URXNNPCNKVAQRA-XMHGGMMESA-N 412.873 4.480 0 1 HIAF in-vitro Cc1nc2ccccc2nc1N[C@@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 146669479 UUBRGIQNDRIPIE-NRFANRHFSA-N 420.513 4.342 0 1 HIAF C[C@@H](Cc1nccs1)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166086822 XWROSGKREHSYCB-AWEZNQCLSA-N 424.501 4.191 0 1 HIAF CCN1[C@H](CNC(=O)c2cc(Cl)c(NC)cc2OC)CC[C@H]1c1ccccc1 253637167 ZPMWZLMGOHDQOI-JXFKEZNVSA-N 401.938 4.346 0 1 HIAF Cc1ccccc1OCC(=O)Nc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 473088082 IBWLQKVVFBAGFA-UHFFFAOYSA-N 401.418 4.492 0 1 HIAF O=C(O)CSc1ncccc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 586966346 BVMJWPFRIMBMGR-UHFFFAOYSA-N 403.769 4.354 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CCO)cc3[nH]2)C[C@@H]2CCCC[C@H]21 587026147 KFKICLLKZIJQOK-WMQCIHAUSA-N 409.555 4.234 0 1 HIAF COC(=O)c1ccnc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)nc12 587144302 IASVHHTUUXYNFO-UHFFFAOYSA-N 405.385 4.224 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Cn2cncn2)[C@H]1c1ccc(F)cc1 587345395 ZKNSRZWMALYHJR-YROCYRMSSA-N 407.445 4.111 0 1 HIAF CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438602 OVSANKPOBFFSKT-MWTRTKDXSA-N 405.450 4.404 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccccc3nc1N1CCOCC1)CC2=O 587474850 KLJPOGPLGNTIQE-QHCPKHFHSA-N 418.493 4.436 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)C(=O)O 587542981 AZIXFOSSOLNRCU-PGRDOPGGSA-N 410.809 4.073 0 1 HIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC 587592792 KNGAIEWLBIDIRP-KNQAVFIVSA-N 408.406 4.121 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)c3ccc(N)cc3)c2c1 587650341 JWLUWCBUFZTCJF-UHFFFAOYSA-N 406.463 4.040 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)n2)N1 587687144 XMHICHGMNJDEBM-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF COc1cccc(OCc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)c1 587780963 NLSMIUYISFBBCQ-UHFFFAOYSA-N 411.259 4.322 0 1 HIAF CCOC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)oc1C 587826602 FMMTVRPFYZZZNM-OVWNDWIMSA-N 410.283 4.464 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cc3ccccc3o2)(C(=O)O)N1 587830897 GRCNGYYTLVNYMQ-PRWKNARSSA-N 418.262 4.391 0 1 HIAF CCOc1cc(C=O)c(OCC)n1-c1cc(Br)cnc1Br 587940430 OUWYEKZAFYQKEE-UHFFFAOYSA-N 418.085 4.007 0 1 HIAF O=C(Nc1cnn(Cc2ccccc2C(F)(F)F)c1)c1cc(-c2ccco2)on1 621476527 PMIOPVXBCNRQHK-UHFFFAOYSA-N 402.332 4.451 0 1 HIAF CCOC(=O)CC[C@@]1(c2ccsc2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962634398 UCPQHPHEODQKLN-IVZQSRNASA-N 403.544 4.229 0 1 HIAF COc1ccc(Nc2ncnc3c2[C@@H](c2cccc(O)c2)c2c(n[nH]c2C)O3)cc1 1772587878 ATALPDHZULRYLO-SFHVURJKSA-N 401.426 4.252 0 1 HIAF S=C(Nc1cccnc1)NC1CCN(c2cc(OCc3ccccc3)ccn2)CC1 1857564149 WTVRYYJZOFFDOB-UHFFFAOYSA-N 419.554 4.011 0 1 HIAF FC1=CN=C2NC1=Nc1cccc(c1)NC1=NC=C(Cl)C(=Nc3cccc(c3)N2)N1 1857631710 HZQLXAGXTBIMMP-UHFFFAOYSA-N 420.839 4.094 0 1 HIAF Cc1ccc(Cn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c(F)c1 1857649562 IFAXJYHBQSLMLL-UHFFFAOYSA-N 402.355 4.245 0 1 HIAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2F)=N[C@H]1CCC(=O)N1CCCC1 1857769087 MODGOTGRMNPUSD-IBGZPJMESA-N 413.880 4.040 0 1 HIAF CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC2CCCCC2)c1 201460644 KLYSIOFERFWPDT-UHFFFAOYSA-N 401.528 4.244 0 3 HIAF O=c1nc(-c2ccc3c(c2)ncn3-c2ccccc2)ccn1CCCN1CCCCC1 602495 ZJHSVHPBEQPRNP-UHFFFAOYSA-N 413.525 4.125 0 1 HIAF O=C(c1ccoc1)N(c1cc(Cl)ncn1)C1CCN(CCc2ccccc2)CC1 837991 ZSKZGWKJHBCCQP-UHFFFAOYSA-N 410.905 4.077 0 1 HIAF COc1cccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 8611653 HAKVCSNBBJORAH-UHFFFAOYSA-N 401.466 4.220 0 1 HIAF Cc1ccnc2c(NC(=O)c3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@H]5C4=O)cc3)cccc12 13080636 BLPUCTSDPCUHQQ-NEAWWFDSSA-N 423.472 4.107 0 1 HIAF in-vitro COc1ccc(COC(=O)[C@H](COCC2CCCCC2)NC(=O)OC(C)(C)C)cc1 13478452 FVOIXPRQDBWOEO-FQEVSTJZSA-N 421.534 4.229 0 1 HIAF Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1 13587993 DGTRTIGZWJOVRS-HFJWLAOPSA-N 416.569 4.388 0 1 HIAF CN1CCCC[C@H]1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610364 ATSQUXDTANOYQX-TVPLGVNVSA-N 403.530 4.409 0 1 HIAF N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(F)c(Cl)c1)C(=O)O 27103345 XIKRXMZIKQWASH-AAKUMTKESA-N 403.818 4.473 0 1 HIAF CC(C)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCCC1 29038122 IXSAAPAZRZURIH-ICSRJNTNSA-N 418.603 4.247 0 1 HIAF CC[C@@H]1CC[C@H](NCc2cc3c(cc2OC)[C@@H]2C[C@@H]2C(=O)N3C)[C@H](c2ccccc2)N1 38729969 KDGDTPNBDMVKHC-FIGQQVBNSA-N 419.569 4.137 0 1 HIAF biogenic O=C1CSC(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Br)cc2)=N1 73314463 HLYYORUNLXZMBW-MRXNPFEDSA-N 418.291 4.369 0 1 HIAF COc1ccccc1CCNC(=O)c1cnc(N2CCCC2)nc1-c1cccc(C)c1 82160144 LFQSRQAGFRCMBN-UHFFFAOYSA-N 416.525 4.033 0 1 HIAF Cc1cc(OCc2cnnn2-c2ccc(F)cc2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 95594328 SCRXDRSBKFFRMV-MHALITNNSA-N 421.472 4.399 0 1 HIAF COC(=O)c1nc2n(n1)[C@H](c1ccc(F)cc1)/C(=C(\O)OC1CCCCC1)C(C)=N2 103938573 IHZWJWZSCJUKHV-FDCFBWIESA-N 414.437 4.018 0 1 HIAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 104556972 ZAHNDAGNFYIZGM-BEASHSJESA-N 404.595 4.166 0 1 HIAF COc1ccccc1NCc1nc(-c2ccc3ncnn3c2)c(-c2cccc(C)n2)[nH]1 113386613 ZBIRZMVPLGYXSE-UHFFFAOYSA-N 411.469 4.111 0 1 HIAF COCc1c(-c2nc(-c3cccc(/C=C/C(=O)O)c3)no2)cnn1C1CCCCC1 114611782 KHHMAADATMDATK-ZHACJKMWSA-N 408.458 4.350 0 1 HIAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N=O)C2 169714307 WGNQZEHJQKXRMV-QMHWCDLVSA-N 416.587 4.258 0 1 HIAF COc1ccc(-c2ss/c(=N/O)c2-c2cc(OC)c(OC)c(OC)c2)cc1N 216142853 ZSIGBSBVTVXNQP-XUTLUUPISA-N 420.512 4.050 0 1 HIAF CC1=CC(=O)O/C1=C/[C@H](O)[C@@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@@]2(C)O1 238779337 HXIGCIAAEQXXQZ-NHSWMTGKSA-N 418.574 4.276 0 1 HIAF Cc1ccc(NC(=O)c2nccnc2C(=O)NCc2ccccc2-c2ccncc2)cc1 299830355 WINWWBQIDIXTEI-UHFFFAOYSA-N 423.476 4.029 0 1 HIAF FC(F)(F)c1ccn(Cc2cc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)no2)n1 587117456 CJOPSIQGNSBILB-UHFFFAOYSA-N 403.151 4.183 0 1 HIAF O=c1c(-c2nc3c(Br)ccnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170819 FJOCRQMMLOIODA-UHFFFAOYSA-N 417.213 4.315 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc2c1 587173595 FVTJNUOACLFYKQ-OAHLLOKOSA-N 405.223 4.317 0 1 HIAF CC(C)(C)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2n1 587186262 UAOOIIVCWNYJDC-CYBMUJFWSA-N 420.298 4.103 0 1 HIAF CCOC(=O)CNc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587227372 LOYYWGZLUOYASB-UHFFFAOYSA-N 410.218 4.246 0 1 HIAF Nc1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1C(=O)O 587248449 PYGXGBLYXWBIML-UHFFFAOYSA-N 416.153 4.171 0 1 HIAF O=C(c1cc(F)c(F)cc1Cl)c1c(CO)oc2cc(Br)cnc12 587275740 FGMVAAXDIPRRMQ-UHFFFAOYSA-N 402.578 4.245 0 1 HIAF O=C(O)[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587349420 FWJKXXKVYHWCTA-UTSGNWPNSA-N 404.393 4.358 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(C)=O)c(Br)c1)[C@@H](C2)C3=O 587413799 QLIRFOXWIHLYPH-XOBRGWDASA-N 416.271 4.079 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cnc4c(Br)cc(Cl)cn14)[C@@H](C2)C3=O 587418259 TUBYUSRJOPVQEC-APPDUMDISA-N 419.662 4.248 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1N1CCOCC1 587556852 KMUIJTICNKWRGO-XUZZJYLKSA-N 421.424 4.071 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccco1)c1ccco1 587616425 JUBWEOXJHXEHGA-WMZHIEFXSA-N 402.358 4.318 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCN(C)C)cc2)N1 587738538 BAPZIBXSSVQUJR-QKKBWIMNSA-N 421.354 4.326 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CN(C(=O)OC(C)(C)C)C2)N1 587759227 FGNKBSLWEKNGOO-XHDPSFHLSA-N 413.331 4.421 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C(=O)C2)N1 587768206 LMVMEQPRQVRBES-SPLOXXLWSA-N 417.322 4.140 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587792075 OFIMJQWNCPZOOP-NIVTXAMTSA-N 409.299 4.333 0 1 HIAF CC[C@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1cc(Cl)cn1 587868367 LWDLYYAHZRCOBS-CYBMUJFWSA-N 413.787 4.114 0 1 HIAF Cc1ccccc1[C@]1(c2ccccn2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962667464 NYWOSLPVNRZWPN-RRPNLBNLSA-N 423.516 4.329 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 962892489 FXTJEIWWPKZKCW-XUZZJYLKSA-N 413.452 4.367 0 1 HIAF CSC[C@]1(C(F)(F)F)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172577 DDMKMFHUCJVNMK-PWSUYJOCSA-N 407.763 4.078 0 1 HIAF COc1ccc(F)c(C(=O)N2CCC(F)(F)[C@H](Oc3ccc4ccccc4n3)C2)c1 1772569874 PCCFUTSTUHACKF-LJQANCHMSA-N 416.399 4.311 0 1 HIAF Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CF)c2ccccc2)cc1 1772656019 MGVNYSHGQFYVDI-HXUWFJFHSA-N 420.488 4.060 0 1 HIAF CN1CCN(c2ccc(Nc3cc(-c4cc(Br)cs4)[nH]n3)cc2)CC1 1857575840 LKTRHROOZVJBRH-UHFFFAOYSA-N 418.364 4.396 0 1 HIAF C[C@@](O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 1857597270 FGKJNUSBLPMRBO-MRXNPFEDSA-N 407.310 4.493 0 1 HIAF COc1cc2c(c(OC)c1)C(=O)[C@H](c1ccc3c(c1OC)C[C@@H](O)C(C)(C)C3)CC2 2356570868 YOJIDZRPCZHMDV-LAUBAEHRSA-N 410.510 4.111 0 1 HIAF COc1ccc(CNC(=O)C[C@@H]2C[C@H](C(C)C)[C@@H](CNC(=O)C3CC3)C=C2C)cc1 2356701219 YUHJEVYOPDLMON-QZNHQXDQSA-N 412.574 4.082 0 1 HIAF CC(C)CCC(=O)N(Cc1ccco1)[C@@H](C(=O)NCc1ccccc1)c1cccnc1 2356871251 XYZOMHNZQIDQOL-XMMPIXPASA-N 419.525 4.497 0 1 HIAF Cc1ccc(CNC(=O)[C@H]2CC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)=NO2)o1 13478552 GXOYKDVHHUNPBT-OAHLLOKOSA-N 420.309 4.435 0 3 HIAF CCN(Cc1ccncc1)Cc1ccc2c(c1)CN(C(=O)c1ccc(C)cc1)CCO2 11969051 YQHMCXDZNGVUBT-UHFFFAOYSA-N 415.537 4.447 0 1 HIAF CCCN(CCN(C)C)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 13445129 WEQSXWDPPMOIEJ-UHFFFAOYSA-N 421.376 4.424 0 1 HIAF COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 40394210 XWOKFTGDEOYZCF-LJQANCHMSA-N 401.894 4.004 0 1 HIAF Cc1cc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cc(C)c1NS(C)(=O)=O 45349608 IIUNVXJTRBSQPF-UHFFFAOYSA-N 416.587 4.221 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCCOC)nc1-c1ccc(-c2ccccc2)cc1 82154243 FINYARJQEVFCAS-QGZVFWFLSA-N 404.514 4.397 0 1 HIAF CCOP(=O)(CNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1)OCC 95572877 RKLCAFPKRLVSLB-UHFFFAOYSA-N 420.406 4.403 0 1 HIAF CC1(C)c2ccc(OCC(=O)O)cc2C(=O)c2c1[nH]c1cc(Br)ccc21 114802248 UXRVLEMNSJOGTL-UHFFFAOYSA-N 414.255 4.264 0 1 HIAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCN3CCOCC3)C[C@H]21 169358397 OQOGMEFNRHFVDB-MDZRGWNJSA-N 421.507 4.117 0 1 HIAF CC(=O)O[C@@]1(C)[C@@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@@H]2OC1(C)C 238775150 FUWGTSPULMWHSY-BKULYWANSA-N 406.434 4.393 0 1 HIAF Cc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2cc1Br 586947722 BZYYPITZVRWROU-UHFFFAOYSA-N 408.321 4.451 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586986888 QNWNKLOCINRQBW-GFCCVEGCSA-N 423.415 4.455 0 1 HIAF O=C1COc2cc(Br)ccc2N1CCc1nc2cc3ccccc3cc2[nH]1 587001176 CVUMGWXXTMQUOM-UHFFFAOYSA-N 422.282 4.447 0 1 HIAF CCn1cc(Br)c(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)n1 587001384 XDVQTJYIAWJQQF-UHFFFAOYSA-N 420.055 4.173 0 1 HIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2C1 587034579 PHNOSYHBWXECRV-UHFFFAOYSA-N 413.499 4.356 0 1 HIAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)n1 587117748 IZKGOIHAUSXWNE-UHFFFAOYSA-N 410.709 4.118 0 1 HIAF CN1CCN(c2ccc3nc(/C=C/c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)CC1 587133723 APSDZQRXLSCSCA-HWKANZROSA-N 408.374 4.181 0 1 HIAF O=C1C[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587148570 ITTKXAHUNCMKDH-SNVBAGLBSA-N 424.220 4.259 0 1 HIAF C[C@@]1(c2nc3c(Br)cnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172671 JUHYJPCROGEJBN-INIZCTEOSA-N 410.630 4.141 0 1 HIAF CCOc1c(Br)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587413010 LQXIYEAJJDECFK-BFUOFWGJSA-N 419.271 4.354 0 1 HIAF CCc1cc(=O)oc2cc(O[C@H](C)[C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc12 587454829 YUJYDHNSNGQKQY-CXTAWJHWSA-N 420.461 4.338 0 1 HIAF CCCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587597429 VEGOQSVAHOCEPK-OFVILXPXSA-N 415.445 4.396 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597836 SAXCHBMPDZSKDV-YKSBVNFPSA-N 404.418 4.121 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(Br)cs1 587615657 XJWALAYVIQCLHS-CZUORRHYSA-N 404.241 4.314 0 1 HIAF COC[C@@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587725932 SYYUSUGJGDIFLF-MGNBDDOMSA-N 400.238 4.291 0 1 HIAF COc1ccccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587743023 MZPAPHDZMKMOEH-YUNKPMOVSA-N 421.310 4.375 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCn3c(O)nc4cccc2c43)N1 587775963 ALWHYRNDPHNSRI-GIPWTMENSA-N 416.294 4.215 0 1 HIAF CCCNc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587853914 SIKYPJCXIQYEAI-MGNBDDOMSA-N 412.372 4.973 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cnn(CC)c(=O)c1Cl 587865420 ZGQLCDUGMKGDMM-UHFFFAOYSA-N 412.799 4.187 0 1 HIAF O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 653707163 MMASJLZOSZIDOT-UHFFFAOYSA-N 422.141 4.489 0 1 HIAF O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3s1)CC2 653889450 AVKICTLBRHZUTM-UHFFFAOYSA-N 420.582 4.048 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@@](Cc2ccccc2Cl)([C@H]2CCOC2)N1)C(F)(F)F 962768305 QXEPMOKMQAQUPP-NBHGPNQESA-N 423.862 4.460 0 1 HIAF Cc1ccc2nc([C@]3(C)N[C@@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)[nH]c2c1 963199935 WOOKHSQKSCSNTC-AUUYWEPGSA-N 423.822 4.406 0 1 HIAF O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)CN(C(=O)c2cccc(-c3ccco3)c2)C1 1772603906 DFSMJFIICIFMPD-QGZVFWFLSA-N 422.868 4.270 0 1 HIAF CC(C)=CCC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/[C@@H](O)/C(CO)=C\C1 1772607670 CMSLJHNSPYWASF-PTAGNJNQSA-N 418.574 4.164 0 1 HIAF CNC(=O)c1ccc2nc(C)c3nnc(-c4cc(OC(C)C)ccc4Cl)n3c2c1 1857748121 DNDRNJCXNPHRDV-UHFFFAOYSA-N 409.877 4.053 0 1 HIAF COc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CN(C(C)=O)C2 1857759444 VPBQVFOYPXGRAU-UHFFFAOYSA-N 423.476 4.415 0 1 HIAF CCCOc1ccc(-c2nc(C)cs2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1 1541551 UEJFZHMZCDQXPA-UHFFFAOYSA-N 409.515 4.336 0 1 HIAF CC(C)CC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@H](C(C)(C)O)O2 3197580 PTQKDRQFGLKODH-GOSISDBHSA-N 422.477 4.469 0 1 HIAF endogenous,in-man C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 14574401 HOFINSHTZPVVKH-LLVKDONJSA-N 410.783 4.346 0 1 HIAF CCc1cccc(C(=O)NCc2cccc(-c3cccc(CN4CCNCC4)c3)c2)c1 40429563 LLAPHYHAXNGUCF-UHFFFAOYSA-N 413.565 4.251 0 1 HIAF CCOC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@H]12 40741556 LRSXFYOAJNXUJV-RXLPSVSDSA-N 424.537 4.015 0 1 HIAF CC(C)c1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@@H]1CCCN1C 82180960 BPKQBOUNLLJXOJ-SFHVURJKSA-N 410.541 4.228 0 1 HIAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2ccccc2F)C1 82217079 DUZKEDFGOKBDIY-IAGOWNOFSA-N 414.525 4.382 0 1 HIAF CN(Cc1nc2ccccc2s1)C(=O)c1cccc(NC(=O)c2ccncc2)c1 84731129 ABCJXYYIIIFOSJ-UHFFFAOYSA-N 402.479 4.216 0 1 HIAF CCCN1N=C2/C(=C/c3ccc(OC)cc3)C[S@@](=O)C[C@H]2[C@@H]1c1ccc(OC)cc1 100789057 QIQPCXWPRNOEQS-FBOHGWFJSA-N 424.566 4.289 0 1 HIAF Cc1ccc(CNC(=O)Nc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C 101027950 SYTAKZNIBKDFJB-SFTDATJTSA-N 403.482 4.081 0 1 HIAF O[C@H](c1ccc(Br)cc1)c1nc2ccc(F)c(Br)c2[nH]1 586996261 CQWIQIUKHMTHQS-CYBMUJFWSA-N 400.045 4.309 0 1 HIAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(ccc3ncccc32)[nH]1 586999932 KZFVACAHWHTCTJ-UHFFFAOYSA-N 408.211 4.353 0 1 HIAF CC[C@@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)n1cc(I)c(C)n1 587184620 JNACTVWFGRTNNE-ZDUSSCGKSA-N 423.302 4.364 0 1 HIAF CN(C)/C=C/[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341935 ZUYJENHJHDWQTN-VHUOBLMZSA-N 404.441 4.256 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)O2 587394857 JTQXAKHMWNONIZ-XAEMIUIASA-N 400.519 4.481 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccc(C(=O)O)o1)[C@@H](C2)C3=O 587456938 YOJXRDDPQKQLQY-AOMKIAJQSA-N 406.390 4.054 0 1 HIAF CC(C)(C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)NC(=O)OC(C)(C)C 587570822 JNOCQSVMNBIQJU-MSOLQXFVSA-N 413.470 4.416 0 1 HIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc(N2CCCCC2)n1 587595686 PYWIJKOHHQTDQX-OFNKIYASSA-N 417.465 4.184 0 1 HIAF CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)c(C)n1 587622493 OECGAGYPERBKOC-UHFFFAOYSA-N 422.233 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(N)c(F)c2F)N1 587716050 DDKXFQPPZPJDKO-SKLCBMLGSA-N 403.217 4.385 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)O)c3ccccc23)N1 587757141 NGZDZZZGUXEWBQ-GIPWTMENSA-N 417.278 4.251 0 1 HIAF C[C@H]1CN(Cc2ccccn2)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587759332 FXNVVRHSANLAPQ-PDSXEYIOSA-N 418.354 4.255 0 1 HIAF CCOC(=O)N1C=C([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 587769207 NHMCXFFNQYJXKP-HXPMCKFVSA-N 411.315 4.474 0 1 HIAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O 587807846 OBQMAIQWLMCWRB-GIGQVBGESA-N 408.267 4.146 0 1 HIAF CCOC(=O)C[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587850104 XCXUNGDUSCTTNI-ADLMAVQZSA-N 412.324 4.381 0 1 HIAF C[C@H](Oc1cccc(F)c1)[C@@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695924 CQUNGQRVXKRFKY-FJVYXFCJSA-N 415.358 4.265 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@@]1(CC(C)(C)C2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730523 NWDGJWLKGATXJA-QKKBWIMNSA-N 421.415 4.148 0 1 HIAF CC(C)(CN1CCCC1)[C@@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963190464 XTBVYPVWJDPJKD-HZPDHXFCSA-N 404.860 4.121 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1 1772614689 HRCKTAGTPSWGBL-KRWDZBQOSA-N 408.889 4.221 0 1 HIAF N[C]1C=CC(I)=CN1CC(=O)c1ccc(-c2ccccc2)cc1 2356829008 SLQPMBZDKPGVJD-UHFFFAOYSA-N 415.254 4.133 0 1 HIAF COc1ccc(C2=Nn3c(nnc3-c3ccccc3C(F)(F)F)SC2)cc1OC 13831123 OGQSNDPJQZYCST-UHFFFAOYSA-N 420.416 4.339 0 1 HIAF CCOc1cc2ccc(OCCN3c4ccccc4O[C@@H]4C=CC=C[C@@H]43)cc2oc1=O 40688949 FEPUJWTXMSFRJK-PZJWPPBQSA-N 417.461 4.333 0 1 HIAF O=c1c2ccccc2nc(/C=C/c2ccncc2)n1-c1nnc(-c2ccccc2)s1 40892887 LAYKAUWBTCSUDL-ZHACJKMWSA-N 409.474 4.470 0 1 HIAF O=C(NCCCc1ccc(Cl)nc1)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12 84670752 PRMIUWPTXICFLU-UHFFFAOYSA-N 409.852 4.175 0 1 HIAF COCN1[C@H](c2ccc(Cl)cc2)CS(=O)(=O)C[C@H]1c1ccc(Cl)cc1 103277487 HZPGUZIFRUXCEC-ROUUACIJSA-N 400.327 4.110 0 1 HIAF CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(CO)[C@H]3CC[C@@H]2[C@@H](C)N(C)C)C1 153187833 JIFIMAIHRKBXOH-WPTYOLSGSA-N 404.639 4.073 0 1 HIAF CCCc1ccc(C(=O)O[C@H]2C[C@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 169349974 BFOZFDBTKQXEJT-QFRYPGCFSA-N 412.526 4.223 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC4CCCC4)cn3)C2)cc1 169709206 NJJLVXUGJRAPNF-SBUREZEXSA-N 409.530 4.258 0 1 HIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](F)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299849003 ZQZFTIODRGJPCF-SJTUFSFASA-N 410.570 4.426 0 1 HIAF CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(F)c3)cc2c1=N[C@H]1CC[C@H](N)CC1 473200923 LACAMLFDNRZKLY-WKILWMFISA-N 411.452 4.192 0 1 HIAF Cc1cc(Br)cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 587038290 GEWIMSNFFGHZGT-UHFFFAOYSA-N 410.297 4.499 0 1 HIAF COc1cncc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 587165863 NGNMZBSNNXKTRA-UHFFFAOYSA-N 414.444 4.443 0 1 HIAF Cc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1F 587171013 WASVMTDXRVQXCI-HXUWFJFHSA-N 413.449 4.217 0 1 HIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(Br)ccnc2[nH]1 587198465 LORCJRPCJNBNQS-UHFFFAOYSA-N 422.286 4.246 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)cc(F)c32)[C@@H]1c1ccc(F)cc1 587328999 BQKKXSOVVBKGQJ-GCJKJVERSA-N 411.335 4.016 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C(=O)O)[C@@H](C(=O)O)C3)c1 587366936 SFVCRIPTNBKRNU-JKSUJKDBSA-N 417.417 4.157 0 1 HIAF CCCc1c(O)ccc2c1OC1(CCN(CCOCc3ccccc3)CC1)CC2=O 587474942 IMQDZUQWHIIAON-UHFFFAOYSA-N 409.526 4.361 0 1 HIAF O=C(O)CC[C@@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587525634 OKKXQVWPNGCVHK-VWLOTQADSA-N 419.477 4.176 0 1 HIAF CC(C)(C)C(=O)Nc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576872 IPGUNDOLONRSBS-UGKGYDQZSA-N 418.449 4.475 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587725565 DXJNANYOEKVOMT-YUNKPMOVSA-N 424.285 4.263 0 1 HIAF Cc1ccc2oc(N)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587749034 ZVFOJKIILXVVAA-MGNBDDOMSA-N 417.278 4.209 0 1 HIAF COC(=O)c1cc(OC)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587812283 ZFXBNXVDUVNNMY-MGNBDDOMSA-N 408.267 4.007 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C(=O)O)c3ccccc32)N1 587820254 AOYWNDWEPVOVEW-GIQGCJHYSA-N 404.279 4.328 0 1 HIAF C[C@]1(c2cc(-c3ccc(F)cc3)no2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759518 BVWHCDAPBFJBPJ-PXNSSMCTSA-N 404.363 4.390 0 1 HIAF CNc1ccc([C@@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1N 962951361 GQFSBICDIGJURM-HXUWFJFHSA-N 405.464 4.244 0 1 HIAF CCOc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc(Cl)c1OC(C)C 963487845 DYNAOXXLRMXQAQ-PXNSSMCTSA-N 419.905 4.228 0 1 HIAF Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccccc3)C2)n1C 1772585972 AAPXNHMQKBDDJN-PGRDOPGGSA-N 409.559 4.140 0 1 HIAF COc1cc(N(CC2CC2)c2ccc(Cl)cc2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O 1772586334 RGANFCZPDDPSBH-IRXDYDNUSA-N 400.862 4.195 0 1 HIAF CN(C)CCCn1cnc2c1ncn1c(NC(C)(C)C)c(-c3ccccc3F)nc21 1857573189 JROVIAPUTQWNSZ-UHFFFAOYSA-N 409.513 4.047 0 1 HIAF COc1ccc(N2C[C@H](C)[C@@H](CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 61923290 UKIIEMBBEIPALE-SCLBCKFNSA-N 417.303 4.085 0 3 HIAF CC[C@H](C)C(=O)O[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 3833890 PCZOHLXUXFIOCF-GVWCYLCQSA-N 404.547 4.196 0 1 HIAF CCN1c2ncc(COc3cccc(N)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 5841425 GGICVMHKERQRRS-UHFFFAOYSA-N 409.877 4.039 0 1 HIAF C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1 13488945 YGINOVSNROOLQF-HXUWFJFHSA-N 408.542 4.079 0 1 HIAF C[C@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1 40373980 UDRQASHQXVJFFN-CCMYXXCXSA-N 410.558 4.029 0 1 HIAF COc1ccc(-c2[nH]c(S(=O)(=O)C(F)(F)C(F)F)nc2-c2ccccc2)cc1 40632379 MAQFKCFFSYRMSG-UHFFFAOYSA-N 414.380 4.384 0 1 HIAF CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCCc2ccccc2)C1 40878857 SRRVLPVASMWVKI-RBBKRZOGSA-N 417.018 4.467 0 1 HIAF O=C1Nc2ccc(F)c(F)c2[C@@](CCO)(c2ccc(F)cc2)N1CC(F)(F)F 58592906 MMEZIRLUHTWSBL-QGZVFWFLSA-N 404.310 4.140 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OC)C3)co2)cc1 82069589 OGRMSEGGMMWRGG-GOSISDBHSA-N 414.502 4.326 0 1 HIAF CC(C)OC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 96286046 FWECVAAARPJXSH-KRWDZBQOSA-N 408.497 4.292 0 1 HIAF CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1F)Cc1c-3nc2ccccc2c1C1CCC1 96934896 MFFBTYRYKWRNJQ-RPWUZVMVSA-N 406.457 4.116 0 1 HIAF CN(C(=O)[C@@H]1CN(c2ccccc2)C(=O)C1=O)c1ccc(Sc2ccccc2)cc1 100986520 KSGCXNZAKLAMCU-OAQYLSRUSA-N 416.502 4.033 0 1 HIAF CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1cccc2ccccc12)C1CC1 139048244 HEXDYZPZIWOMJS-DEOSSOPVSA-N 415.537 4.424 0 1 HIAF COc1cccc(-c2ccc(S(=O)(=O)N(C)Cc3cccc(O)c3)s2)c1F 169351584 MDKRRVRYRVZICB-UHFFFAOYSA-N 407.488 4.089 0 1 HIAF O=C1C=C(C(F)(F)F)[C@@H]2C=C(N(Cc3cccs3)CC(F)(F)F)C=C[C@@H]2N1 169362329 SDJYYRIQPGVPOF-JSGCOSHPSA-N 408.367 4.169 0 1 HIAF C/C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCC[C@H](C(F)(F)F)C3)[C@@H]2CC1 205769074 ATIUOFKXXHOPLM-MYEHHOEJSA-N 401.469 4.096 0 1 HIAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C)c(Br)cc3[nH]2)cc1 586942087 ZTZFJDBFLZHHKX-BQYQJAHWSA-N 420.332 4.033 0 1 HIAF CCCc1nc(-c2nc3ncc(Br)cc3[nH]2)nn1-c1ccccc1F 587155357 FLFNQAWAGVSHSX-UHFFFAOYSA-N 401.243 4.060 0 1 HIAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)cc(Br)c3[nH]1)C2 587246234 FCUFRDNMGQWKAN-GOSISDBHSA-N 406.711 4.330 0 1 HIAF Cc1ccc(O[C@@H](C)C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)c1 587273520 KVSXCMVYXXBRET-LBPRGKRZSA-N 404.260 4.350 0 1 HIAF Cc1onc(-c2ccccc2)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587275896 GTWLZOWJEJXXRI-UHFFFAOYSA-N 413.227 4.277 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4ncccn14)[C@@H](C2)C3=O 587426543 DICLCMYZLSFAGN-KSFYIVLOSA-N 401.397 4.033 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCC(=O)CC3)nc1Cl)CC2=O 587496362 WNKFHWVPRAYGMA-INIZCTEOSA-N 420.918 4.330 0 1 HIAF COc1ccccc1NC(=O)[C@H](N=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511765 NKLIDVGOKUJAEZ-GMAHTHKFSA-N 408.454 4.072 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(CCC(F)(F)F)CC2 587548649 OFPWEQJJVIPYLV-QGZVFWFLSA-N 407.388 4.141 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(Cl)cc2)nn1 587551972 LVNFORAUUDRZGP-KNQAVFIVSA-N 419.824 4.329 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Br)c1F 587570380 WKXMEKJIEFPQDB-RDTXWAMCSA-N 416.202 4.392 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)C1CCOCC1 587585938 ISHXYAGYACVKQZ-ZJSXRUAMSA-N 403.434 4.071 0 1 HIAF COc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)nc2c1 587587904 QQUANBXUDKQCOI-NZQKXSOJSA-N 415.401 4.358 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591639 WOZSGIJHIGZZFJ-XXBNENTESA-N 415.401 4.363 0 1 HIAF CC(=O)N1CCc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587592537 HVMOEXXVYAUQIU-DHLKQENFSA-N 415.445 4.178 0 1 HIAF CCn1cc(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cn1 587622317 JSTVOLINKXURSQ-UHFFFAOYSA-N 408.206 4.192 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Cl)cc3)c2c1 587649189 LDNJKQSYIAZQPM-UHFFFAOYSA-N 401.793 4.475 0 1 HIAF COc1ccccc1-n1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587761781 WANYOTJCSAXNAU-ODXCJYRJSA-N 416.294 4.406 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc4c(cc32)OCCO4)N1 587835545 PKRXOVUVDAVPNV-PRWKNARSSA-N 404.279 4.083 0 1 HIAF CCOc1cc(CC(C)=O)c(OCC)n1-c1cc(F)c(Br)cc1F 587943556 IPQHVGAGMHZDEB-UHFFFAOYSA-N 402.235 4.447 0 1 HIAF CC(C)CNC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncnc3[nH]ccc23)cn1 653847644 JJECDXMUQUASTR-IBGZPJMESA-N 409.538 4.182 0 1 HIAF Cc1ccccc1[C@]1(c2ccccn2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962667463 NYWOSLPVNRZWPN-KAYWLYCHSA-N 423.516 4.329 0 1 HIAF O=C(O)CCCC[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959892 QPFBEUAGPVRSKC-HRAATJIYSA-N 423.843 4.106 0 1 HIAF COc1ccc2c(c1OC)[C@H](c1cscc1C)N(C(=O)c1ccccc1N)CC2 963147844 SMEIAYBNNJPATL-NRFANRHFSA-N 408.523 4.444 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(Cl)c(O)c(Br)c1 963608387 KXEATGGZVXCTJD-HUTHGQBESA-N 412.711 4.449 0 1 HIAF CCCOc1ccc([C@]2(c3ncco3)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963636754 SDANFKWYQOCAGI-FYSMJZIKSA-N 408.498 4.307 0 1 HIAF Clc1ccc(-c2nc3ccc(C4CCOCC4)cn3c2CN2CCOCC2)cc1 1857770571 RODHQKMAWSJTRR-UHFFFAOYSA-N 411.933 4.381 0 1 HIAF O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356290620 XWZCMNFHYZTKBW-MRXNPFEDSA-N 408.351 4.216 0 1 HIAF O=C1C(=Cc2ccc(O)cc2)N=C2C(Cc3ccccc3)=NC(c3ccc(O)cc3)=CN12 2356427605 GXSAVXXAPZMOAN-UHFFFAOYSA-N 421.456 4.375 0 1 HIAF CC(=CCc1c(O)cc(O)c(C(=O)O)c1C)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356719156 PLQYDIDGVVEJIJ-HXUWFJFHSA-N 406.519 4.232 0 1 HIAF CC(=O)O[C@@H]1O[C@@H]2OC[C@@H]3CC[C@@H]4[C@]5(C)CCCC(C)(C)[C@@H]5[C@H](OC(C)=O)C[C@]14[C@H]23 2356802409 SERLDYCEIABIGD-BZFUXKPLSA-N 420.546 4.059 0 1 HIAF O=C(NCc1ccccc1)c1cc([C@H]2CCCCN2C(=O)CCc2ccccc2)on1 61907966 KMNABKQSJYSMAD-JOCHJYFZSA-N 417.509 4.291 0 3 HIAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)N(C)CCc3ccccn3)sc2n1 753918 LISDSQQKSHLDCT-UHFFFAOYSA-N 423.586 4.254 0 1 HIAF O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccoc1 775183 RZULBOCYVQNCQK-KRWDZBQOSA-N 406.413 4.074 0 1 HIAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H](CO)Cc1ccccc1 775634 BJUZXGTXLZJPRG-GOSISDBHSA-N 422.525 4.371 0 1 HIAF CS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)cnc2C(=O)c2ccccc2)cc1 13525085 APIVYOPADRVVPJ-UHFFFAOYSA-N 420.465 4.313 0 1 HIAF CS(=O)(=O)c1ccc(-c2nc(NCc3ccsc3)cc(C(F)(F)F)n2)cc1 29132479 RCOODISMOULOJD-UHFFFAOYSA-N 413.446 4.240 0 1 HIAF CC1(C)CN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1CCO 36093076 UNEFAEQTOYZREV-IFMALSPDSA-N 402.941 4.444 0 1 HIAF CCN(CCCCCCC(F)F)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 40465114 ZXJGYRBCFSVIEQ-LJQANCHMSA-N 420.566 4.409 0 1 HIAF COCCNC(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45375068 YBORXEQAGVQPBZ-UHFFFAOYSA-N 424.497 4.410 0 1 HIAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@H]3CC[C@@]21C 58590367 SLZJMEMEWDUTRZ-FJORLLMFSA-N 403.611 4.127 0 1 HIAF Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5)cc4=O)cc31)CNCC2 64560129 JBTCNCBNJVACSL-UHFFFAOYSA-N 419.912 4.207 0 1 HIAF c1ccc2nc(N3CC(c4nccnc4N4CC[C@H](c5ccncc5)C4)C3)ccc2c1 140221458 WAILIMSCWGIAHN-FQEVSTJZSA-N 408.509 4.018 0 1 HIAF Cc1ccccc1[C@@H](C[C@H](N=O)c1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1 169730193 ZLQBDFFAZUFHQT-VXKWHMMOSA-N 424.522 4.127 0 1 HIAF CC1(C)CN=C(N2CCN(c3ncnc4sc(Cc5ccccc5)cc34)CC2)S1 198338272 OJAKSSMAOUQJNL-UHFFFAOYSA-N 423.611 4.286 0 1 HIAF CC(C)=CC[C@@]12C[C@H]3C(C)(C)[C@@H](C(C)(C)O)C[C@@]3(C(=O)C(C(=O)C(C)C)=C1O)C2=O 200123258 PEYONNOHFLWITB-ZZRRZAIOSA-N 416.558 4.341 0 1 HIAF in-vitro Cc1c(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166095 MLIFYIGTDDYEPB-UHFFFAOYSA-N 403.505 4.435 0 1 HIAF O=C1C[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CO1 587361190 XXWUIRWDXFEYGS-XPEQFSOGSA-N 418.420 4.349 0 1 HIAF COCCOCCCc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1F 587385475 OHLQWPMQZWZJIE-HSZRJFAPSA-N 401.478 4.193 0 1 HIAF Nc1ccc(N)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511672 RGAMRXWBYSIDNY-AREMUKBSSA-N 410.473 4.183 0 1 HIAF Cc1nc(NC[C@H]2CCCO2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587536326 UNJPDDYTVXAJAF-MWTRTKDXSA-N 412.555 4.802 0 1 HIAF CCn1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587538471 AVOAGKHCYSXMEP-KXBFYZLASA-N 415.243 4.074 0 1 HIAF COCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593413 CQXGSKUSHBAFJZ-XUZZJYLKSA-N 406.434 4.294 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)[C@H](C3)C2 587594265 NRZLJUJGLGLDLQ-TUYPFQHXSA-N 420.461 4.092 0 1 HIAF CCn1ncc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587705872 NUWMECRNBHYXNW-XXFAHNHDSA-N 420.248 4.453 0 1 HIAF CCOCCCN1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C1 587757684 BCFYIEKYMVBCKC-MDOVXXIYSA-N 413.375 4.086 0 1 HIAF CC1=C[C@]2(CC(=O)N1Cc1ccco1)N[C@H](C)Cc1cc(Br)c(F)cc12 587757691 HNJKBHZFYIYKHT-MPBGBICISA-N 419.294 4.247 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3ccccc3)nn2)N1 587762198 XLTPEXZDGFAOBT-XCLFUZPHSA-N 415.310 4.026 0 1 HIAF CC(=O)OC12CC3C[C@@H](C1)C1(N[C@H](C)Cc4cc(Br)c(F)cc41)[C@@H](C3)C2 587806391 AGQZCPPRMOBUGN-YOAHYVGFSA-N 422.338 4.460 0 1 HIAF COc1cccc(NC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 587869345 HFOVJEBETSVJJB-UHFFFAOYSA-N 408.405 4.226 0 1 HIAF C[C@H]1CCCCN1c1ccc2nnnc(Nc3cccc(OC(F)(F)F)c3)c2n1 653782520 SXQAPPALPUKWLS-LBPRGKRZSA-N 404.396 4.441 0 1 HIAF COc1cccc([C@@]2(CCc3cccc(F)c3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962891294 DIWCPCBUYSLQAY-UKILVPOCSA-N 423.459 4.449 0 1 HIAF Cc1sc2c(c1C)CCN[C@]21C[C@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 963009207 KTPNCLSFLSIFHE-ZHRRBRCNSA-N 422.591 4.057 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@@H](c3n[nH]c4ccc(OCc5ccccc5)cc34)c3cccc1c32 963035443 RTUPYUIBSAOOQQ-CRICUBBOSA-N 424.504 4.285 0 1 HIAF CCCn1ccnc1[C@H]1c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963914596 IAHWYEKSQVPGEG-YLJYHZDGSA-N 413.518 4.327 0 1 HIAF CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1C(F)(F)F 1857540831 NOQPRGXNLLFDIU-UHFFFAOYSA-N 412.481 4.289 0 1 HIAF CC(=C[C@@H]1C=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@]12OC(=O)[C@@](C)(O)C2=O)CCCc1ccoc1 2356421780 SUPAAFLITZURHL-XERBFOTOSA-N 412.526 4.403 0 1 HIAF COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)n(C)c1=S 639425 WYQZZNMXRZIRGM-UHFFFAOYSA-N 402.907 4.227 0 3 HIAF aggregator O=C(NCc1ccccc1)c1onc(CSc2ccccc2)c1C(=O)NCC1CC1 13660878 BEMFOVSLUQIMMU-UHFFFAOYSA-N 421.522 4.037 0 3 HIAF COc1cccc(-c2ccc3c(c2)[C@@H]2c4cnnn4-c4ccccc4C(=O)N2CC3)c1 199736295 YRFSRMJLTSDZFN-XMMPIXPASA-N 408.461 4.044 0 3 HIAF CC1(C)OC(=O)C(Oc2ccc3sccc3c2)=C1c1ccc(S(C)(=O)=O)cc1 3814524 GJJZKGZYUTXFMK-UHFFFAOYSA-N 414.504 4.430 0 1 HIAF Cc1cnc(C)c(-c2cccc3c2O[C@@H](CNC(=O)/C=C/c2ccc(F)c(F)c2)C3)n1 11839322 GNOYTTPECIZJSK-PDFOZTTASA-N 421.447 4.172 0 1 HIAF CO[C@H](c1ccc2c(c1)CN(C(=O)CCc1cnccn1)CCO2)C1CCCCC1 12190239 RHXIGJDBQCZXGJ-DEOSSOPVSA-N 409.530 4.098 0 1 HIAF CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1COc2ccccc2C1 13737089 FVLLVXYMXQHQOB-OAQYLSRUSA-N 412.574 4.192 0 1 HIAF Cc1ccccc1CN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 13835811 KRCWDAGTDHZOFY-SANMLTNESA-N 406.570 4.154 0 1 HIAF CCc1ccc(CNC(=O)N2C(=O)C(CC)(CC)[C@@H]2Oc2ccc(C(=O)O)cc2)cc1 27197802 VXOFBAJDGQWPDI-QFIPXVFZSA-N 424.497 4.211 0 1 HIAF C[C@](CO)(CCCS(=O)CCC[C@](C)(CO)c1ccccc1)c1ccccc1 28566974 JSOCMLGSQVOMQK-DNQXCXABSA-N 402.600 4.196 0 1 HIAF COc1ccc(CCN2CN=C(SCc3cccc(Cl)c3)NC2)cc1OC 58541282 GNUIIYQKVVLFBS-UHFFFAOYSA-N 405.951 4.009 0 1 HIAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1c(-c2ccc(F)cc2)noc1C 100055163 KZYDERWDJDKROE-XTFSCAMASA-N 400.406 4.210 0 1 HIAF O=C(c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)N1CCOCC1 145504832 NHEZKTVROFXMMG-LJQANCHMSA-N 422.506 4.474 0 1 HIAF NCC(=O)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 169292504 QRCGKZHMDVRFJM-SXRKXGFISA-N 404.554 4.073 0 1 HIAF CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@H]21 169309983 QIJAKJCZCKPPNN-DUQPFJRNSA-N 417.962 4.011 0 1 HIAF CC1CCN(c2c(S(=O)(=O)c3ccc(C#N)cc3)cnc3c(F)cccc23)CC1 201541133 HAVOTOLQZAALPV-UHFFFAOYSA-N 409.486 4.315 0 1 HIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)Nc3cccc(N)c3)CC[C@H]12 253635866 GXYDBTCLBZLDRJ-SMIYNLNTSA-N 407.558 4.121 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299877200 GVTDUFDOSJYLTD-JHMKDJTOSA-N 402.535 4.129 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(CCCCc3cccc(O)c3)nc2c1 586896719 VXMNHTMBZZLEED-UHFFFAOYSA-N 403.276 4.383 0 1 HIAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 586943862 HTNQMOWIAGKPMX-UHFFFAOYSA-N 419.478 4.091 0 1 HIAF COC(=O)c1cc(Cl)c2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 587023357 OHSZELKONBFYJG-UHFFFAOYSA-N 408.867 4.473 0 1 HIAF COC(=O)c1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2c1OC 587051669 RQQVVBADHKRRPG-UHFFFAOYSA-N 401.850 4.273 0 1 HIAF Cc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2n1 587157453 MCLDQKIZRHBQJU-UHFFFAOYSA-N 402.227 4.003 0 1 HIAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc(OCc3ccccc3)c2[nH]1 587225053 MPFBKCKJYNQTEV-KRWDZBQOSA-N 401.466 4.226 0 1 HIAF COC(=O)c1cccc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c12 587240181 GUJFOSXJUQFHEU-UHFFFAOYSA-N 415.449 4.212 0 1 HIAF CCOc1ccc(OCC)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587277054 XHPILVYBXSWCAR-UHFFFAOYSA-N 420.259 4.111 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1nc(N(C)C)n(-c4ccc(C)cc4)c1Cl)[C@@H](C2)C3=O 587419904 GABXZAXXTGGLLP-HRAATJIYSA-N 423.900 4.397 0 1 HIAF C[C@H](Oc1ccc2c(c1)OCO2)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613571 YMUHTPHMDBZFIM-WVRMYWEISA-N 420.417 4.309 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCN(C)C)c2)N1 587743136 VUBKMKWISMFRGN-RNODOKPDSA-N 407.327 4.152 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCSCC3)nc2)N1 587858223 ZNFTVKXYTVQNDT-BUXKBTBVSA-N 422.367 4.160 0 1 HIAF O=c1nc(O)cc(COCc2ccccc2)n1COCc1cc(Cl)cc(Cl)c1 653852907 HWUBBYOGNJQOCP-UHFFFAOYSA-N 421.280 4.147 0 1 HIAF COc1ccc2c(c1)[C@](C)(c1ccc(OC)c(CN3CCOCC3)c1)N(C(C)C)CC2 962085893 BTTPZQUHETVIFX-SANMLTNESA-N 424.585 4.066 0 1 HIAF COC(=O)c1cc([C@]2(c3ccc(OC)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c[nH]1 963109158 UMZOSFZOLHABQN-CJFMBICVSA-N 420.484 4.261 0 1 HIAF O=C(O)C[C@H]1CCN(C(=O)c2ccc(Cl)cc2)C[C@H]1Cc1nc2ccccc2[nH]1 2356306002 YDAHVOXFWZGNGK-HZPDHXFCSA-N 411.889 4.012 0 1 HIAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 4050849 HYVOCIKAAIMKKV-HGAHBTBJSA-N 408.542 4.425 0 1 HIAF Cc1nn([C@@H](C)C(=O)N2CCc3ccccc3C2)c(=O)c2c1sc1ccccc12 5135805 ABNZOIAGEDJBFH-HNNXBMFYSA-N 403.507 4.066 0 1 HIAF CC[C@@H](Sc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1)C(=O)O 8606697 LZACIWDYSLONMH-MRXNPFEDSA-N 416.524 4.173 0 1 HIAF COc1cccc([C@H]2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)c1 28893000 AJXWEERKJZAIJJ-RUZDIDTESA-N 412.549 4.475 0 1 HIAF CN(C)CCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21 45315357 OCPILGAGUGFNJE-UHFFFAOYSA-N 423.516 4.313 0 1 HIAF CCCCS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 84653468 DMPWQTRJHVHWFE-UHFFFAOYSA-N 411.321 4.243 0 1 HIAF O=C(Nc1noc2ccccc12)NC1CCN(c2nc(-c3ccccc3)ns2)CC1 95584527 SOVDYDGUERHVFT-UHFFFAOYSA-N 420.498 4.137 0 1 HIAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCC3)C23CN(C(=O)CC2CC2)C3)cc1 95871923 MUBFJLACWZUKTG-VSBCLOLGSA-N 408.586 4.051 0 1 HIAF CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3ccccc3c2)c1F 113488670 RBZANJBJFUKPPG-UHFFFAOYSA-N 421.881 4.431 0 1 HIAF CC1(C)OC(=O)N(c2ccc(-n3c(=O)[nH]c4cnccc43)cc2)[C@H]1c1ccccc1 147636438 LIAIHKNVRMTFQC-FQEVSTJZSA-N 400.438 4.190 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ncc(OC[C@H]4CC4(F)F)cc3F)C2)cc1 149937205 LXIAUMJNBXDACX-SCLBCKFNSA-N 419.447 4.056 0 1 HIAF O=C(NCCc1cccc(F)c1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166181573 KXTHLBGEQDABNH-UHFFFAOYSA-N 403.457 4.346 0 1 HIAF CCCC1([C@H](O)C/C=C\[C@H]2[C@H](CCCCCCC(=O)OC)C(=O)C[C@H]2O)CCC1 271778479 XRISENIKJUKIHD-QNJNGGGGSA-N 408.579 4.344 0 1 HIAF in-vitro O=C(OC[C@H]1C[C@H]2CC[C@H]1C2)c1cc(CO)cc(C(=O)OC[C@H]2C[C@H]3CC[C@H]2C3)c1 299806964 NLHFLNGHBNUOLE-JYKFVMEGSA-N 412.526 4.365 0 1 HIAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 299885844 WDBSOFKIYJKKEL-CDNNERCOSA-N 406.526 4.322 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)nc3[nH]2)C[C@H]2CCCC[C@@H]21 586958891 IYYDDGYGSLZBFD-COXVUDFISA-N 416.934 4.306 0 1 HIAF Brc1cc2c(cc1/C=C/c1nc3cncc(Br)c3[nH]1)OCO2 586999073 UONMTZWYZICOPD-OWOJBTEDSA-N 423.064 4.382 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 587005744 QDZRSCVTOITXOE-UHFFFAOYSA-N 401.047 4.481 0 1 HIAF Brc1cnc2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587013440 WMJQQDJPHSPWDY-UHFFFAOYSA-N 400.099 4.484 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(C(F)(F)F)c4[nH]3)cc12 587039389 XGYJSCHLVIWDJV-SECBINFHSA-N 407.421 4.329 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3nc(Cl)c[nH]c-3n2)c1 587047848 ANQYTZJYAIUKJM-VOTSOKGWSA-N 419.272 4.002 0 1 HIAF O=C(O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587091804 OVLRHIDPOOEHFE-UHFFFAOYSA-N 405.254 4.283 0 1 HIAF C[C@@]1(CN2Cc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342201 ZSNNCOJRSXGAES-DHLKQENFSA-N 417.436 4.305 0 1 HIAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ncnn12 587371748 FVWBUTBHJXISRY-UWJYYQICSA-N 409.442 4.218 0 1 HIAF CC(=O)N1CCC([C@@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)CC1 587376412 CERQXUZNIFKZFM-QHCPKHFHSA-N 412.917 4.350 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(O)cc2OC[C@@H]1c1ccc(O)cc1 587413957 UNRZCUWDKXLGDE-NTKDMRAZSA-N 403.434 4.025 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OCC(=O)O)c(OC)c1)CC2=O 587462438 ZMTKQSGVSJLFQT-KRWDZBQOSA-N 420.845 4.177 0 1 HIAF CN(C)/C=C\[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567484 ASIJWHKIMYANKD-JUSGPXSWSA-N 405.425 4.464 0 1 HIAF CC(C)(C)OC(=O)[C@@]1(C2=COCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606154 BTKIBXJMQLZGMX-CYFREDJKSA-N 424.449 4.129 0 1 HIAF COc1cc(C)cc2c1OCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612995 XFZIZBGIMHNIFH-RDPSFJRHSA-N 404.418 4.349 0 1 HIAF CCCCN(CCCC)c1ccc(-c2nn(C(=O)NC)c(=O)c3ccccc23)c(O)c1 587661430 QDDAXNZYBRLOGH-UHFFFAOYSA-N 422.529 4.363 0 1 HIAF COc1ccccc1N1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587767221 JFIGCMMULOVLNJ-RNODOKPDSA-N 405.311 4.237 0 1 HIAF CCOC(=O)CC[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587768387 CRDSVKRELFRQCY-RNODOKPDSA-N 421.310 4.104 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c(C)cccc4OC)[nH]c3c2)cc1 587787278 MPRGGZDDYPUQCX-UHFFFAOYSA-N 423.494 4.356 0 1 HIAF COC(=O)c1ccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587801451 GOMQVIGYEPHIOE-APBUJDDRSA-N 417.278 4.480 0 1 HIAF COC(=O)c1coc2c1[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587827335 JLYAVIXRDKXZPJ-GIGQVBGESA-N 408.267 4.082 0 1 HIAF CCOc1nc2sccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587858110 XYLVDEWJIJMEMP-YMTOWFKASA-N 410.312 4.320 0 1 HIAF COc1c(Cc2ccccc2)cc(O)n1-c1cc2cnccc2c(Br)n1 587941859 ROMNGXJNLYETLM-UHFFFAOYSA-N 410.271 4.488 0 1 HIAF C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccco3)NCCc3c(C(=O)O)cccc32)C1 963124479 QZIQLEPJZWXTBT-JCQPUDPBSA-N 408.523 4.184 0 1 HIAF CC(C)c1cc(C(=O)NC[C@H]2CCN(CCc3ccc(C(F)(F)F)cc3)C2)on1 1857566668 LTWGACDJHKRMQA-MRXNPFEDSA-N 409.452 4.111 0 1 HIAF O=C(O)/C=C/c1cc(OCc2ccccc2)cc(C(=O)NCCc2ccccc2)c1 1857592549 BMPXIXYIJSWPOS-VAWYXSNFSA-N 401.462 4.336 0 1 HIAF COc1cc2c(c(OC)c1OC)[C@@H](c1cc(Br)ccc1F)[C@@H](C)C(=O)N2 1857638984 SJBJLFRJNAQGPK-RFAUZJTJSA-N 424.266 4.334 0 1 HIAF O=C1CN(Cc2ccncc2)[C@H](c2ccccc2)c2cc(Br)ccc2N1 1911581581 KTYUOJGCRZDTGR-OAQYLSRUSA-N 408.299 4.388 0 1 HIAF C=CC(=O)N1CC(Oc2cccc3[nH]c(-c4n[nH]c5cc(C(F)F)ccc45)cc23)C1 1911582692 ONAWENGDNSLLBY-UHFFFAOYSA-N 408.408 4.424 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13C[C@@H](CC[C@H]21)[C@@](C)(O)C3 2356473936 VNDROSDKNARHKI-GOQFTIIPSA-N 406.563 4.255 0 1 HIAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@@](O)(CCc2ccoc2)[C@@H](C)[C@H]1OC(C)=O 2356705933 JVNDWNJCKQLUBH-WPINWKRTSA-N 420.546 4.289 0 1 HIAF COc1ccc([C@@H](CC(=O)N2CCC[C@H](C)C2)c2c(O)cc(OC)cc2OC)cc1 13661418 JESWDHXLYTYZAC-OXJNMPFZSA-N 413.514 4.199 0 3 HIAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 769276 KLECVOOXRDWZGE-TZIWHRDSSA-N 410.857 4.350 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214683 GVTDUFDOSJYLTD-QTPAZIJBSA-N 402.535 4.129 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215228 KFEHDMUCZNJERV-XWGVYQGASA-N 408.542 4.420 0 1 HIAF CS(=O)(=O)Nc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 8536362 NXSMQOUCPOHVDU-UHFFFAOYSA-N 408.458 4.316 0 1 HIAF COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(CCO)c2C)ccc1O 14956319 FYUMMNFRXDXZAK-UNOMPAQXSA-N 404.466 4.040 0 1 HIAF CC[C@@H](C)COc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1 26832097 QXKXXNSMWCHTGY-OAHLLOKOSA-N 416.465 4.405 0 1 HIAF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccc(F)c1 40861502 HFVIWSMKVPKJCR-UHFFFAOYSA-N 424.439 4.328 0 1 HIAF CC(C)Cc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1 82193042 KOZBRKSNPMLODS-CTNGQTDRSA-N 413.587 4.273 0 1 HIAF O=C(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO 95877457 RFXUEAARQGUESN-IGKWTDBASA-N 402.469 4.483 0 1 HIAF O=C1N(Cc2ccccc2Cl)c2cccn2S(=O)(=O)N1Cc1cccc(F)c1 96938772 CJVJILQMZSPIPL-UHFFFAOYSA-N 419.865 4.016 0 1 HIAF CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146709503 JEPTWXASUVPZQH-UHFFFAOYSA-N 423.494 4.088 0 1 HIAF COc1ccc(OC)c(-c2ccc3cc(C(=O)N4CCC[C@H](CO)C4)ccc3c2)c1 169304485 UDGGGHNYBILHNB-KRWDZBQOSA-N 405.494 4.369 0 1 HIAF CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)N[C@H](SCc3ccccc3)N[C@H]2C)cc1 209106247 BVDXXEPILRZNCN-ITSWEJNFSA-N 411.571 4.080 0 1 HIAF CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccc4cnccc34)ccc21)C(=O)O 299832412 FWVBWBMKLVJMRP-QFIPXVFZSA-N 415.493 4.472 0 1 HIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)c(Br)cnc2[nH]1 586962009 AEGSKIXCDOWYPG-MRVPVSSYSA-N 414.716 4.421 0 1 HIAF O=C1CCc2cc3nc(/C=C/c4cccc(I)c4)[nH]c3cc2N1 587183840 JMTDLCNZADWDMU-GQCTYLIASA-N 415.234 4.223 0 1 HIAF Cc1ccnc2[nH]c([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc12 587222588 ZFFQMUFLGYEZDB-KRWDZBQOSA-N 424.501 4.356 0 1 HIAF Cn1cnc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cnc21 587343147 RXWQJAFUUJAVAO-NZQKXSOJSA-N 403.413 4.087 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCC1)([C@H]1CCCN1C(=O)OC(C)(C)C)O2 587398868 IUNAPSLWKZISMS-AUSIDOKSSA-N 400.519 4.481 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cccc(Br)c1)[C@@H](C2)C3=O 587420448 WRYYRIIOCPJQIF-KSALOMHHSA-N 414.299 4.176 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4ccco4)c(OC)c1)[C@@H](C2)C3=O 587456661 XBWYPJOSAFLLSK-OYHNWAKOSA-N 406.390 4.005 0 1 HIAF CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517768 UVOZMPVQOTUPSP-OSPHWJPCSA-N 415.530 4.315 0 1 HIAF Cc1[nH]c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1CCC(=O)O 587586748 DHBKTWBVKSWMKF-AUSIDOKSSA-N 407.422 4.057 0 1 HIAF CCOc1ccc(-c2nn(-c3nccnc3Cl)c(=O)c3ccccc23)cc1OCC 587668864 ODMHWOUQSPCQML-UHFFFAOYSA-N 422.872 4.294 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C2)N1 587742983 MTULHFYINKHATI-MJCKAROISA-N 413.331 4.395 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3sc(N)nc23)N1 587853559 AFHOCRJJDYOMGM-YYSFKGJASA-N 406.324 4.578 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Cn1cc(Cl)cn1 587860895 IQORNJCNTLFHMQ-LLVKDONJSA-N 412.799 4.404 0 1 HIAF CCCCC(=O)OCc1ccc([C@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1 653708511 SXDDEBSPMPOXHW-QFIPXVFZSA-N 405.498 4.149 0 1 HIAF Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CC(C)(F)C5)cc34)cc2)cn1 653826077 IKNDNTIDNPFLAC-UHFFFAOYSA-N 415.472 4.069 0 1 HIAF Cc1ccc(C(=O)Nc2cccc([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)c2)cc1 962901838 SJTNBTMHFHENKE-FCHUYYIVSA-N 404.441 4.075 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]31CCOc2ccc(Br)cc21 963054467 JIJYBHZUQQAJLV-NRFANRHFSA-N 411.299 4.178 0 1 HIAF C[C@@]1(c2ccc(O)c(F)c2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963174373 GJSRBUMHGUNFQO-PBHICJAKSA-N 403.759 4.066 0 1 HIAF Cc1cccc2c1[C@](C)(C[C@H]1CCOC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905124 WGIRYBXZWWPVSN-UQNRQAKVSA-N 403.519 4.273 0 1 HIAF O=C(O)[C@@H]1C[C@H]1COc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cn2)cn1 1857584175 JKCCOSPNBZCSBI-GOEBONIOSA-N 420.856 4.440 0 1 HIAF COc1ccc(O)c(Cc2c(OC)cc(O)c3c2O[C@@H](c2ccccc2)CC3=O)c1 2356608615 FGLXKSSULAGDGI-OAQYLSRUSA-N 406.434 4.412 0 1 HIAF CCCC(=O)N(Cc1ccco1)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356844049 NRVMJEHYLKEITI-DEOSSOPVSA-N 420.509 4.475 0 1 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 769047 XEUFZJJBTZPCKF-UNMCSNQZSA-N 405.885 4.330 0 1 HIAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12 6716964 JEYKBVBGFCMXAB-MRXNPFEDSA-N 403.935 4.259 0 1 HIAF COc1ccc(C(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1OC1CCN(C(C)C)CC1 12057845 MPDSKYFXYFXJTM-HSALFYBXSA-N 412.574 4.279 0 1 HIAF Cc1nccn1-c1ccc(Sc2cccc(C3(C(N)=O)C[C@@H]4CC[C@H](C3)O4)c2)cc1 28477801 NJAUDUPYDIZYIU-VXMMSVGHSA-N 419.550 4.396 0 1 HIAF FC(F)(F)c1ccc2[nH]nc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 28529492 LUVJNTVKNCGKRN-UHFFFAOYSA-N 418.419 4.387 0 1 HIAF O=C(c1[nH]c2ccccc2c1Br)N1CCN(Cc2ccc(F)cc2)CC1 40408775 DWZLHBGYLOLNJR-UHFFFAOYSA-N 416.294 4.028 0 1 HIAF COc1cccc([C@H]2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)c1 43014342 CUOZZEMLTFRECQ-IBGZPJMESA-N 413.949 4.470 0 1 HIAF COCCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc(F)cc1 82139392 LHCOTFAIBRXRMP-UHFFFAOYSA-N 422.504 4.012 0 1 HIAF O=C(NCCc1cccc(F)c1)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 82140853 AKMFFWXPAYAUOO-UHFFFAOYSA-N 422.479 4.385 0 1 HIAF O=C(O)[C@H]1CCCN(CCO/C=C\c2cc(F)ccc2Cc2cccc(F)c2)C1 96923955 HWWDMQPINOYECK-WUQYLLKWSA-N 401.453 4.340 0 1 HIAF Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(CCC(=O)O)c(C(=O)O)c1O 103242035 XICUGIVKIBHPFC-UHFFFAOYSA-N 407.422 4.194 0 1 HIAF CNCCCN(C)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 142105364 VUHXSWWIYDYWDY-UHFFFAOYSA-N 403.526 4.353 0 1 HIAF CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ccc(C(F)(F)F)cn1)C2 220876011 NGYNPBUGQHTGCA-XHSDSOJGSA-N 420.435 4.060 0 1 HIAF CNC(=O)N1C[C@H]2C=C(c3cc4c(-c5cc(F)ccc5OC)c(F)cnc4[nH]3)C[C@H]2C1 226059410 HHYFMYBAZZMYSH-KGLIPLIRSA-N 424.451 4.191 0 1 HIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)cc(C)c2[nH]1)C(C)C 586933714 WRAOWGSVGKUGFW-CQSZACIVSA-N 402.358 4.050 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Br)cc4[nH]3)cc12 587036994 CPWADRCJEXDRIL-SECBINFHSA-N 418.320 4.073 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3cc(Br)c(F)cc3[nH]2)C(F)(F)F)n1 587093724 GGVUMUVLNACORX-ZDUSSCGKSA-N 424.217 4.222 0 1 HIAF Nc1cc(C(=O)O)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587249579 OPMDHMHLQGAPTM-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccc(N(C)C(C)=O)c1)CC2=O 587470316 SABCQEYWWCBDEY-AKNQKSQZSA-N 422.525 4.263 0 1 HIAF COC(=O)C(=O)C[C@@]1(c2cc3ccccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587532777 NVCUXJJUVPGWQT-RUZDIDTESA-N 418.445 4.305 0 1 HIAF COC(=O)C[C@@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567151 FJFVMQPPWGFFFV-XUZZJYLKSA-N 422.408 4.038 0 1 HIAF C[C@@]1(CC(=O)Nc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573689 WRYURUFRZSKYGW-OFNKIYASSA-N 407.397 4.280 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616124 IEDLMTJODKYBMQ-JPYJTQIMSA-N 406.390 4.185 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc(C(=O)O)cc1 587862897 KSJLMLGNWQQLFR-UHFFFAOYSA-N 405.332 4.356 0 1 HIAF C[C@H](CCC(=O)O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587962664 IHYCTZAPQWNYBH-GFCCVEGCSA-N 421.906 4.061 0 1 HIAF COc1cc2c(cc1OC)[C@@](C)(c1nc(Br)sc1C)N(C)[C@H](C)C2 962628284 HDMKANVVDIYUDD-MGNBDDOMSA-N 411.365 4.371 0 1 HIAF CCOc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1OC(C)C 963233666 POLXVFAZNUCZCA-NFBKMPQASA-N 406.482 4.109 0 1 HIAF NC(=O)c1cc2c(n1Cc1ccccc1)-c1nc(NC3CCCCC3)ncc1CCC2 1772649695 QZBYHMOOFTZHCB-UHFFFAOYSA-N 415.541 4.326 0 1 HIAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3ccc(C4CCS(=O)(=O)CC4)cc23)c1 1857545272 FIUZHAOPOIOFJQ-MRXNPFEDSA-N 409.555 4.134 0 1 HIAF Cc1ccc2nc(Nc3ccnc(Nc4ccc(S(C)(=O)=O)cc4)n3)sc2c1 1857567898 COQHGOFCEZUTBX-UHFFFAOYSA-N 411.512 4.285 0 1 HIAF CC(C)[C@@H]1CCCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857647350 CDYWHQTYQFZHCV-MSOLQXFVSA-N 400.469 4.328 0 1 HIAF CN(C)CCCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 21289182 HAZMQKHDVTUCEW-UHFFFAOYSA-N 415.339 4.285 0 1 HIAF CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 26378987 YRYAWQYFBMYJNY-QHCPKHFHSA-N 408.461 4.056 0 1 HIAF c1ccc(CN2C[C@@H]3CCCN(c4ncnc5oc(-c6ccccc6)nc45)[C@@H]3C2)cc1 28100945 SCGLQKSVTNBWGC-LEWJYISDSA-N 411.509 4.386 0 1 HIAF NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(CCc4ccccc4)o3)CC1)CO2 29126302 ZAYVAVPKZNUPIN-UHFFFAOYSA-N 416.521 4.090 0 1 HIAF CN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1ccccc1)S(C)(=O)=O 29136117 URTPLKFLKLZWSU-UHFFFAOYSA-N 416.543 4.180 0 1 HIAF CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@]1(CCCCO)c1ccccc1 36184676 LSPYJDKYIOCDAG-JOCHJYFZSA-N 401.457 4.162 0 1 HIAF c1ccc(N2CCN(c3nc(-n4ccc5ccccc54)c4ccccc4n3)CC2)nc1 40880372 FCNUKIYDOXLLHI-UHFFFAOYSA-N 406.493 4.295 0 1 HIAF CCOc1ccccc1OCCNC[C@H]1COC(c2ccccc2)(c2ccccc2)O1 49016984 CLADBLWFXVASRD-QHCPKHFHSA-N 419.521 4.370 0 1 HIAF COc1ccc2c(c1)C=C1C(=O)N(c3c(C)noc3/C=C/c3ccccc3)CN=C1O2 84705330 IZAGBHIGALHVGC-CSKARUKUSA-N 413.433 4.341 0 1 HIAF Cc1ccc(-c2cnn(-c3ccc4c5c(cccc35)C(=O)N(CCN(C)C)C4=O)c2)cc1 103231057 PBCRIOPWFLCPQO-UHFFFAOYSA-N 424.504 4.159 0 1 HIAF N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2nc(-c3cc(O)ccc3F)ccc2F)C1 140277753 SVDDKCFDTZXPLV-KGLIPLIRSA-N 424.451 4.365 0 1 HIAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N(C)C(=O)C(C)C)c2)c(Cl)c1 142655400 HDBDJYCFDQATKH-HNNXBMFYSA-N 402.922 4.045 0 1 HIAF COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1 200458553 QNVKEPCXSDODLZ-UHFFFAOYSA-N 421.457 4.436 0 1 HIAF CCCc1cc(O)cc(O)c1C(=O)Oc1cc(CCC)c(C(=O)OC)c(OC)c1 238745443 KDSYVWIWLPFQGT-UHFFFAOYSA-N 402.443 4.017 0 1 HIAF Cc1ccc(C)c(N(C(=O)Nc2ccccc2S(N)(=O)=O)c2ccccc2)c1F 473133128 XYDPXCTULKXYFN-UHFFFAOYSA-N 413.474 4.460 0 1 HIAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cccc(Cl)c2[nH]1 586945980 OYQUHBJPQDFGPC-UHFFFAOYSA-N 409.945 4.485 0 1 HIAF FC(F)(F)Oc1cccc(CSCc2nc3c(S)nc(S)nc3[nH]2)c1 587124984 YSGRJSNJYWPFHL-UHFFFAOYSA-N 404.464 4.262 0 1 HIAF Cc1nc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2cc1Br 587148100 ZXYXPCLEDUUKMV-UHFFFAOYSA-N 404.218 4.375 0 1 HIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587245610 VNWGDQRWXIIXEG-UHFFFAOYSA-N 402.241 4.404 0 1 HIAF O=C(O)c1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355823 WMLMTLIMOCRIAL-URXFXBBRSA-N 404.393 4.430 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(OC(F)(F)F)ccc21 587463895 DGAVCOKCULZTTO-LJQANCHMSA-N 407.344 4.056 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn3c(C(F)(F)F)ccnc13)CC2=O 587464345 OLBYLRUGLPRKMI-OAHLLOKOSA-N 405.376 4.421 0 1 HIAF C[C@]1(c2ccncc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548706 VGBUKOBNFPKTSG-YLJYHZDGSA-N 412.239 4.427 0 1 HIAF COc1ccccc1[C@@]1(CNC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570821 JNGOULWSFPLOJJ-WIOPSUGQSA-N 419.477 4.256 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOC[C@H]2OCc1ccccc1 587617050 OJAOUBUBZCDZCC-OTNCWRBYSA-N 418.445 4.098 0 1 HIAF C[C@H](CN1CCCCC1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656660 KJXCODRSQIGXLE-OAHLLOKOSA-N 411.452 4.104 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Br)c2)N1 587679855 HHFWNNTYNTWGLQ-ANRSDYALSA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)cnc2N)N1 587718465 ZDOJONKKCIQLAP-JKYUHCHBSA-N 404.205 4.208 0 1 HIAF COc1ccccc1N1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587765817 DLLWQHYIHRBFFC-ZUOKHONESA-N 405.311 4.237 0 1 HIAF COCOc1ccc(OC)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805564 HOUPIIMBWILSDM-WLRWDXFRSA-N 410.283 4.203 0 1 HIAF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587808495 QJLZXDXTJIYWLX-XTZNXHDOSA-N 408.267 4.007 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(C[C@H]5CCC(=O)[C@@H]5C)[nH]c4c3)o2)cc1 587960748 BBWNIABXVMUBAH-UKRRQHHQSA-N 402.454 4.446 0 1 HIAF Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21 653708059 WIMIKYREURPSOR-AZGAKELHSA-N 413.565 4.437 0 1 HIAF CC1(C)OCc2c(Nc3n[nH]c4cc(C(F)(F)F)ccc34)nc(-c3cn[nH]c3)nc21 653708731 IUODVBYYCGATTD-UHFFFAOYSA-N 415.379 4.271 0 1 HIAF COc1cc2c(cc1OC)[C@@H](c1ccc(-n3cnc(C)c3)c(OC)c1)N(C)[C@@H](C)C2 962629849 QENPYTAYPDGSLE-UPCLLVRISA-N 407.514 4.172 0 1 HIAF Cc1cc2c(cc1C)[C@@]1(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc31)C(=O)N2 962959060 REBRNJPBVUTHSM-JOCHJYFZSA-N 416.443 4.169 0 1 HIAF COc1cccc(OCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)c1 1772608098 HXCWDNJBHMREJD-UHFFFAOYSA-N 418.453 4.186 0 1 HIAF CCn1nc(Cl)c2c1CC[C@@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857638146 UVJRTECDQCPOJU-OAHLLOKOSA-N 424.911 4.105 0 1 HIAF FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(C[C@H]3CCc4ccccc43)cn2)c1 1857771145 JAGKRJVLUACVQE-OAHLLOKOSA-N 410.403 4.479 0 1 HIAF O=C(NC1CCCC1)[C@@H](c1ccco1)N1CCC(O)(c2ccc(Cl)cc2)CC1 95600415 BSWKRGAZAQVDHC-HXUWFJFHSA-N 402.922 4.017 0 3 HIAF O=C(Nc1ccc(Cl)cc1)c1csc(N2CCN(Cc3ccccc3)C2=O)n1 206023018 QEIZPGCOLDHMSH-UHFFFAOYSA-N 412.902 4.491 0 3 HIAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1OC 774176 LUBLGIHVGYEZOL-KXBFYZLASA-N 424.497 4.163 0 1 HIAF COc1ccc(N[C@@H](C(N)=O)c2cc3cc(Br)ccc3nc2Cl)cc1 1660633 SXCPLXQGYVPSRQ-MRXNPFEDSA-N 420.694 4.298 0 1 HIAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC 4296896 ILCNFUAYPDLQLX-FPOVZHCZSA-N 416.905 4.365 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CC(=O)NCc1ccco1)C2=O 13681865 NSHKXWHQUTUXRS-PFJCNENKSA-N 407.510 4.343 0 1 HIAF CN(Cc1ccccc1)C[C@H]1C[C@H](Cc2c[nH]c3ccc(-n4ccnc4)cc23)N(C)C1 26499560 ZXOAWPAKYYSNFI-ZJSXRUAMSA-N 413.569 4.348 0 1 HIAF COc1ccc(Nc2nc(-c3cccnc3Nc3cc(OC)cc(OC)c3)n[nH]2)cc1 28562956 LQEQGZYBRRAGCR-UHFFFAOYSA-N 418.457 4.380 0 1 HIAF Cc1ccc(C(=O)Nc2ccon2)cc1Nc1ncnc2c1cnn2-c1ccccc1 29050178 VMOVZKURWYNTLN-UHFFFAOYSA-N 411.425 4.108 0 1 HIAF COc1cc2nc(-c3ccc(CP(=O)(OC)OC)cc3)nc(OC)c2cc1OC 29223369 LDZSSMRCNWZLKM-UHFFFAOYSA-N 418.386 4.309 0 1 HIAF O=C(O)c1ccc2c(c1)CNc1c(Nc3cccc(Br)c3)ncnc1O2 34799969 NBEDWPSUGFSPMW-UHFFFAOYSA-N 413.231 4.399 0 1 HIAF O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(C2CC2)c1=O 40836100 KZQHNMSQKVMIOW-UHFFFAOYSA-N 404.401 4.243 0 1 HIAF C[C@H](Nc1ccc(C(N)=O)c2[nH]c3cc(-c4ccc(N)nn4)ccc3c12)C(C)(C)C 72141064 DHOQBCYYNAPJAH-LBPRGKRZSA-N 402.502 4.306 0 1 HIAF COc1ccc(CCNc2ncc(C(=O)NCC3CC3)c(-c3ccc(F)cc3)n2)cc1 82140218 ZRGQBLAHOFQGTI-UHFFFAOYSA-N 420.488 4.086 0 1 HIAF CC1(C)Oc2ccc(-c3nc(-c4cccc5c(CCC(=O)O)c[nH]c45)no3)cc2O1 84617281 SVDMXJHEGXWBOL-UHFFFAOYSA-N 405.410 4.409 0 1 HIAF CCC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cc1 84691004 TZBLNDUAZKGOLI-UHFFFAOYSA-N 423.542 4.234 0 1 HIAF CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(C)(C)O)co1 136304169 MRKXXRUHPFFURP-UHFFFAOYSA-N 408.520 4.264 0 1 HIAF CCCCCCOc1ccc(C(=O)N[C@@H](C)C(=O)N[C@H]2CCc3ccccc3C2)cc1 148953413 KESXWGDGUNIUTR-CVDCTZTESA-N 422.569 4.438 0 1 HIAF O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1 169310056 IQZRKJVJVXDSOG-UHFFFAOYSA-N 422.293 4.442 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713498 JPOAJVXSZNVFCE-PWHVBPAFSA-N 406.586 4.282 0 1 HIAF C[C@H](Nc1nccc(N2C(=O)CCC2(C)C)n1)c1cn(-c2ccc(Cl)cc2)cn1 220875104 TVHONDKMUTWBRP-AWEZNQCLSA-N 410.909 4.394 0 1 HIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](F)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299848997 ZQZFTIODRGJPCF-MYHOQWTPSA-N 410.570 4.426 0 1 HIAF Cc1cc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C[C@H]2C)cc2c[nH]nc12 473148669 GVBCUWFZVPUNCH-MWTRTKDXSA-N 412.534 4.123 0 1 HIAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(Br)c2[nH]1 586984845 VKLQOBBRGHISRT-LBPRGKRZSA-N 413.088 4.470 0 1 HIAF CCOC(=O)c1nc2ccc(O)c3c2c(c1CC(F)(F)F)-c1ccccc1C3=O 586985484 DRVIRQDEARHYJQ-UHFFFAOYSA-N 401.340 4.433 0 1 HIAF Cc1csc([C@](O)(Cc2nc3ccc(Br)c(F)c3[nH]2)C(F)(F)F)n1 587093914 HYMTYDDMQWHIGA-CYBMUJFWSA-N 424.217 4.222 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152538 PMTLXSITDDMUMD-CABCVRRESA-N 405.470 4.143 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(F)cc1 587170426 BUWJULLTOBXKOA-UHFFFAOYSA-N 420.828 4.357 0 1 HIAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCC(O)CC1 587236675 DCZWUDAZMVODMG-UHFFFAOYSA-N 401.841 4.149 0 1 HIAF Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2c(C)n1 587238818 GJAAJCDIXFEJDW-ICSGCJEQSA-N 400.523 4.130 0 1 HIAF Nc1cccc(C(=O)O)c1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587248544 SZSSFBHKSCOXBN-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587338718 RHGDFRCQIPJHIX-DNVFCKCGSA-N 413.445 4.316 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCN(Cc3ccccc3)C2=O)[C@H]1c1ccc(F)cc1 587342655 GHUCFWGTGJZZPN-WIOPSUGQSA-N 417.436 4.062 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1=C(N3CCOCC3)/C(=C/c3ccccc3)CC1)O2 587397974 DCJKDPODRODCEC-KOZCBZIKSA-N 416.521 4.375 0 1 HIAF COc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587400726 SPPNFPFBTOQUST-NZEOALSQSA-N 409.482 4.338 0 1 HIAF C=CN1CCCC[C@H]([C@@]2(c3ccncc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587474597 IQTQKHXTTVRYBW-CPJSRVTESA-N 420.509 4.373 0 1 HIAF CC[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517476 NZZXKAMFFSXEDD-FYSMJZIKSA-N 413.514 4.463 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581483 LKKFWGHTAGQBBF-GCJKJVERSA-N 407.470 4.018 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586222 IBWHRTQBMUYROE-XERREHJYSA-N 411.454 4.122 0 1 HIAF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccncc21 587589552 XZHPWUKMYKMVGY-BKMJKUGQSA-N 421.408 4.237 0 1 HIAF CCOc1ccc(-c2nn(-c3ccc(Cl)nn3)c(=O)c3ccccc23)cc1OCC 587669683 VUMPTDNGPFEOBV-UHFFFAOYSA-N 422.872 4.294 0 1 HIAF CC(=O)NCCc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587754236 JHQRCBNAKAQFCA-LRTDBIEQSA-N 419.338 4.065 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2cccnc2)N1 587754255 LAYKMAMQKRRPAW-RNODOKPDSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccccc3c2=O)N1 587776827 DWMHIOXKJYCCFV-GIPWTMENSA-N 401.279 4.227 0 1 HIAF COC(=O)c1ccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587801452 GOMQVIGYEPHIOE-DGIBIBHMSA-N 417.278 4.480 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(C(=O)O)ccc23)N1 587804650 RVUQCRIIXKLFLR-YYSFKGJASA-N 403.251 4.391 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=S)N(C)C)c2)N1 587842857 GRQIVFLJEDOCSV-ZMZPIMSZSA-N 423.351 4.437 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3sc(N)nc23)N1 587853557 AFHOCRJJDYOMGM-LZVRBXCZSA-N 406.324 4.578 0 1 HIAF CCc1ccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867195 ADXPULCOSVJRCU-UHFFFAOYSA-N 405.376 4.254 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cccs2)on1 587869432 JMYSDHWDTIPDDA-UHFFFAOYSA-N 420.372 4.378 0 1 HIAF CCCOc1cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2cc1Br 587960563 DSLDZULRGHWIDB-UHFFFAOYSA-N 403.276 4.332 0 1 HIAF C[C@]1(c2cc(Br)ncc2O)c2cccc(F)c2CCN1[C@H]1CCSC1 962714501 OYHQBXVZQFLQAD-HXPMCKFVSA-N 423.351 4.316 0 1 HIAF COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)o1)N(C(=O)c1ccccc1N)CC2 963144883 VTTZIVYQSWMHAK-NRFANRHFSA-N 412.873 4.320 0 1 HIAF COc1cccc(CNC(=O)c2ccc(N(F)C(=O)N3Cc4ccccc4C3)cc2)c1 1772599550 LJRNDKXCJXEJDI-UHFFFAOYSA-N 419.456 4.452 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(OC)cc2)C(=O)OC)cc1 1772649098 IAPQNUXKZNWLHV-GAJHUEQPSA-N 413.514 4.083 0 1 HIAF Cc1csc2cc([C@H](C)Nc3ncnc4[nH]cnc34)c(-c3ccccc3)c(=O)n12 1857567551 GGFMIRIKNCYXKE-ZDUSSCGKSA-N 402.483 4.176 0 1 HIAF C1=C[C@H]2N=C(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)N[C@H]2N=C1 1857590186 DYUTWRFEEOPXMN-VGOFRKELSA-N 417.538 4.073 0 1 HIAF Cc1nc(C(=O)c2cn(Cc3ccc(-c4cnn(C)c4)cc3)c3cccnc23)oc1C 1857757312 DSUVEECNUODNSN-UHFFFAOYSA-N 411.465 4.321 0 1 HIAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 1911572694 GOHYUTQRLFALLQ-QFIPXVFZSA-N 417.461 4.229 0 1 HIAF CCc1ccc(-n2cc(CSC3=N[C@@H](c4ccccc4)CC(=O)N3C)nn2)cc1 1911578533 KRRGPDKRRGOQPH-HXUWFJFHSA-N 405.527 4.022 0 1 HIAF O=C(COc1cccc(Cl)c1)Nc1cccc(CN2C(=O)c3ccccc3C2=O)c1 1619267 PCULCKSHPHDYKY-UHFFFAOYSA-N 420.852 4.154 0 1 HIAF O=C(O)CCc1c(/C=C2\C(=O)Nc3ccc(Br)cc32)[nH]c2c1CCCC2 3815537 OICXIBPVOXVRBW-GDNBJRDFSA-N 415.287 4.166 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215809 FQJHQCITQOZRFI-NTSGDEEZSA-N 404.551 4.232 0 1 HIAF COC(=O)c1cc2ccccc2n1CCCCCCCOC(=O)c1ccc[n+](C)c1 13524907 HTJNPKQGGFOIBC-UHFFFAOYSA-N 409.506 4.060 0 1 HIAF CC[C@H]1CC[C@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[nH]c3=O)S[C@@H]2C1 28524130 ATVDVPAZNBSTDN-NORZTCDRSA-N 402.516 4.231 0 1 HIAF Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)N2CCNCC2)c1 29475104 ODVXLXIUXWSZSR-UHFFFAOYSA-N 413.930 4.161 0 1 HIAF CCN(CCCCC(C)(C)F)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 39162782 IABSGNPGMOGYMD-LJQANCHMSA-N 402.576 4.112 0 1 HIAF CNc1noc2c(-c3ccc4c(N5CCOC[C@@H]5C)nncc4c3)c(Cl)ccc12 40430513 FPNJQEAHFJNZFI-LBPRGKRZSA-N 409.877 4.358 0 1 HIAF O=C1c2ccccc2CCN1CCCN1CCN(c2cccc(Cl)c2Cl)CC1 40918615 USBLCVIHRKORFG-UHFFFAOYSA-N 418.368 4.204 0 1 HIAF CC(=O)CCCCC[C@H](NC(=O)[C@H]1CCCN(C)C1)c1ncc(-c2ccccc2)[nH]1 45498123 CXDRCLYFWVVMMH-SFTDATJTSA-N 410.562 4.115 0 1 HIAF O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)[C@H]1COc2ccccc2C1 70463025 DMYHHHDDOLJCHB-OAHLLOKOSA-N 404.857 4.264 0 1 HIAF O=C(NC1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1)c1ccccc1 72185647 UUKFSSPTRWFOFF-JOCHJYFZSA-N 406.917 4.114 0 1 HIAF O=C([C@@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1F 95559681 LZPIQIRKBGRLTO-REWPJTCUSA-N 402.425 4.343 0 1 HIAF O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2cccs2)CCCN1 103204986 WUPISUOELPZCJM-QGZVFWFLSA-N 400.610 4.206 0 1 HIAF Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccccc2C#N)c2ccccc12 114080049 WKOPMVAENVMDCB-UHFFFAOYSA-N 409.493 4.085 0 1 HIAF O=C(NC1CC1)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1 144267703 WTMPMEMSQJFULV-UHFFFAOYSA-N 403.360 4.227 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC4CCCC4)c3)C2)cc1 169709796 JJFWMXAYPSTEFC-GAJHUEQPSA-N 409.530 4.258 0 1 HIAF COc1cc(-c2noc3c2CCC[C@@H]3NCC(F)(F)F)ccc1-n1cnc(C)c1 205489935 NWEFVYYZGXWFDP-HNNXBMFYSA-N 406.408 4.374 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 299882180 PHFXWLKDVFDSCF-ANFFJROASA-N 418.896 4.094 0 1 HIAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)o1 586923385 JWHJERZPMDDROE-UHFFFAOYSA-N 422.510 4.028 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@H]2CCCC[C@H]21 586957440 AMVXVENTRRREHJ-IFZYUDKTSA-N 421.526 4.134 0 1 HIAF Cc1c(Br)cnc2nc(-c3cccn4c(Br)cnc34)[nH]c12 587006584 IGYCMLYDFUNSEH-UHFFFAOYSA-N 407.069 4.106 0 1 HIAF C[C@]1(CC(=O)Nc2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329886 AVUHJGIVDZCFLB-JTHBVZDNSA-N 406.413 4.073 0 1 HIAF CCOC(=O)[C@H](NC(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587359136 DJGCLNORNLKPAS-JOCHJYFZSA-N 418.449 4.397 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(C(C)(C)N1CCOCC1)O2 587378723 PGIXCKUECLUFEV-HSZRJFAPSA-N 414.933 4.202 0 1 HIAF COc1cc2c3c(c1)O[C@@](COc1ccc(C=O)cc1)(c1ccccc1)[C@@H](C2)C3=O 587439173 KFKYUVWRIVZKQX-OFVILXPXSA-N 400.430 4.230 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C[C@H]1OCCc3ccccc31)(C(=O)OCC)CC2=O 587494205 XSNGTKMLYQUFSC-RCZVLFRGSA-N 424.493 4.316 0 1 HIAF COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587521804 CRJFFQFTWMNCAZ-XMMPIXPASA-N 410.466 4.308 0 1 HIAF C[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581286 GTNOPRNDOSODPG-SXHVTTPXSA-N 411.454 4.122 0 1 HIAF O=C(COc1ccccc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656027 TUCUCVAEGIBATI-UHFFFAOYSA-N 410.351 4.200 0 1 HIAF Cc1nn(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Br 587684610 ZDTVVERREXKVQA-UOWDBTKRSA-N 417.120 4.016 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sc(N)nc2C(F)(F)F)N1 587712440 KMWYXQGZOYMENV-RCNPXXIZSA-N 424.261 4.443 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)cc3c2N(C)CCC3)N1 587768390 UZZSLLQPCRLRSQ-ODXCJYRJSA-N 417.322 4.407 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCn3c(O)nc4cccc2c43)N1 587775943 ALWHYRNDPHNSRI-BIBXISHDSA-N 416.294 4.215 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O[C@H](C)C(=O)O)cc2)N1 587796771 VGAFZFWXAFUSCX-FKANQGBASA-N 422.294 4.238 0 1 HIAF COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1O 587805670 HDBRGKIBBAIJLD-DGIBIBHMSA-N 410.283 4.109 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2c[nH]c3ccccc23)(C(=O)O)N1 587808520 ZMGCIYDUGJDPHC-GIPWTMENSA-N 417.278 4.126 0 1 HIAF COc1ccc2occ([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587836969 CPYYPKRYXPNNLZ-APBUJDDRSA-N 418.262 4.327 0 1 HIAF O=C(O)c1ccc(COc2ccccc2-c2ccn([C@H]3CCCC[C@@H]3O)c(=O)c2)cc1 653699605 MYKNTLFAPBVUHP-VXKWHMMOSA-N 419.477 4.269 0 1 HIAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3c(c2)N(CCO)CCO3)n1 653762254 QZZZREJGPJHGCG-OAQYLSRUSA-N 416.525 4.133 0 1 HIAF Cc1oc2ccc(O)cc2c1[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972418 UUBWPDGWBQWLNI-VBKZILBWSA-N 407.800 4.241 0 1 HIAF CC(C)c1nn2ccccc2c1[C@@]1(C(C)C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963030342 QPRARJXYUKDPBC-NSYGIPOTSA-N 402.542 4.411 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1 1772606708 AEYXDLOBWFCPDN-QGZVFWFLSA-N 408.889 4.017 0 1 HIAF CC(=O)c1ccc(NC(=O)N[C@@H]2CCCCN(Cc3cccc(Cl)c3)C2=O)cc1 199358752 HUTHBCNQXBLLSM-HXUWFJFHSA-N 413.905 4.245 0 3 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1N 3804850 BCKQSIZBCMVWRU-HEVGNLSTSA-N 407.558 4.121 0 1 HIAF CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N(C)C 13652941 KTSSYRXXUBATJX-UHFFFAOYSA-N 418.925 4.206 0 1 HIAF CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCc2ccccc2)CC1 28099135 YNJUKEBTCNKILT-UHFFFAOYSA-N 424.541 4.290 0 1 HIAF Cc1cn(C[C@](O)(CC(C)(C)c2cccc3c2OCC3)C(F)(F)F)cc(C)c1=O 34802057 IHRJBJXTYVYEES-OAQYLSRUSA-N 409.448 4.061 0 1 HIAF CC[C@@H](C)Cc1cccc([C@@]2(c3ccc(OC(F)F)cc3)NC(=N)N(C)C2=O)c1 35262407 QAQMQLZJRPSYPZ-JLCFBVMHSA-N 401.457 4.117 0 1 HIAF COc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1 35826745 LPQHUWBYTVDRLX-UHFFFAOYSA-N 403.446 4.096 0 1 HIAF C[C@@H](CCN1CCCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 58506226 IBVGIEOHRAWCBK-FQEVSTJZSA-N 423.601 4.322 0 1 HIAF COCCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2ccc(F)cc2)n1 82136303 TTWRQBVOMOJAEF-UHFFFAOYSA-N 400.498 4.041 0 1 HIAF Clc1ccc2c(Nc3cccc([C@H](c4nnn[nH]4)N4CCCC4)c3)ccnc2c1 96922040 MDEBMANZZSECQS-HXUWFJFHSA-N 405.893 4.330 0 1 HIAF CCO/C(O)=C1/C(CC)=Nc2ccccc2N=C1NS(=O)(=O)c1ccccc1F 102642367 HAZFOLFMIURLCV-ZZEZOPTASA-N 417.462 4.136 0 1 HIAF COc1ccnc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1 167307723 GRLYJPKNGJXFNF-FQEVSTJZSA-N 403.482 4.415 0 1 HIAF O=C(c1cccc2ccccc12)c1cn(CCN2CCOCC2)c2cccc(F)c12 206822845 QEYKWKFHJFHQLP-UHFFFAOYSA-N 402.469 4.497 0 1 HIAF CC[C@H](Nc1ncnc2[nH]ccc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 211358479 BVTRFUUOINYURV-KRWDZBQOSA-N 414.444 4.359 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(-c3ccccn3)n[nH]c2C1 225974374 UOWYNYJMWABHOW-UHFFFAOYSA-N 406.795 4.342 0 1 HIAF C[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnn(-c3ccc(F)cc3)c21 225979090 GKKRKEQHTAFIPC-NSHDSACASA-N 405.260 4.473 0 1 HIAF COc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1C 586946923 VWRWMDLQVAAVCL-UHFFFAOYSA-N 419.553 4.148 0 1 HIAF COc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586961700 SMZDZEHPIUIGJZ-JHVJFLLYSA-N 411.527 4.266 0 1 HIAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(F)c2[nH]1 586984719 UFBVPNMBNXTCJW-LLVKDONJSA-N 413.088 4.470 0 1 HIAF Ic1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587039818 FZKDUWXLYSRMBZ-CVEARBPZSA-N 421.307 4.114 0 1 HIAF CCCc1nc(-c2nc3c(Br)cncc3[nH]2)nn1-c1ccccc1F 587157188 XQLWZONWMQJMRK-UHFFFAOYSA-N 401.243 4.060 0 1 HIAF Cc1cc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2c(C)n1 587170119 JBKNQGGUUCHVQB-UHFFFAOYSA-N 402.476 4.243 0 1 HIAF COc1ccc(C)cc1NCCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587228528 RNXPGHWNTYRRFO-UHFFFAOYSA-N 418.291 4.385 0 1 HIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cn1 587247734 RPISMQAQXSOPRA-UHFFFAOYSA-N 400.486 4.441 0 1 HIAF Cc1cccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587334501 JRWBTBBICWNAIQ-UPVQGACJSA-N 420.440 4.381 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1C[C@@H]3CC[C@H](C1)N3C(=O)OCc1ccccc1)O2 587400946 RSECCQHVQRUTRI-XWQURZDVSA-N 420.509 4.491 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)c(Cl)cc4c1OCCO4)[C@@H](C2)C3=O 587420591 QLTVYIWMABUISW-PRWKNARSSA-N 407.249 4.436 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCC14CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O 587441002 CPAYNWHHGJDSAE-BXKMTCNYSA-N 413.514 4.383 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(/C=C\C(=O)O)=COc2ccc(F)cc21 587472653 TXCQCGBTGSGARS-WYWYZYFQSA-N 410.397 4.262 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594482 OFVRSKXTLNNQNQ-OFNKIYASSA-N 406.390 4.029 0 1 HIAF CCc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(S)n1 587615863 ZLORREPMCGCZGQ-GCJKJVERSA-N 408.479 4.219 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2F)(C(F)(F)F)N1 587704727 JQSIYRVJSJBYIM-GLEZIHRCSA-N 407.180 4.462 0 1 HIAF COc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 587756721 FDUDWYXOTFCUDH-FKIZINRSSA-N 416.294 4.406 0 1 HIAF COc1cccc(OCc2ccc(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)cc2)c1 587780980 AUFKNZFJILVYEZ-UHFFFAOYSA-N 410.451 4.064 0 1 HIAF CC(C)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587789743 BNFZPWPLAZEEIQ-BIBXISHDSA-N 403.295 4.442 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587792077 OFIMJQWNCPZOOP-YYSFKGJASA-N 409.299 4.333 0 1 HIAF COc1cc(OC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587807811 NPQXYBLAZVDWJR-DGIBIBHMSA-N 410.283 4.238 0 1 HIAF Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 587837169 DBIHLYAFRFMVKI-GIPWTMENSA-N 418.262 4.035 0 1 HIAF CSc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(SC)n1 587844768 MIRPUUAZEDNWBE-RTHLEPHNSA-N 414.369 4.446 0 1 HIAF C[C@]1(c2ccccc2OC(F)(F)F)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962964101 JIEVMPWKPJDKKZ-SJKOYZFVSA-N 421.749 4.379 0 1 HIAF COc1cccc2cc3c(nc12)[C@@](c1ccccc1)(c1sc(N)nc1C)NCC3 963045461 FWIZEKVBDBZYTK-QHCPKHFHSA-N 402.523 4.028 0 1 HIAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(C)c3)cc2NC(=N)C1 1772617093 TUPQZKPOMCQRSI-UHFFFAOYSA-N 419.529 4.467 0 1 HIAF CCCC[S@@](=O)c1sc2nc(-c3nccn3C)nc(-c3ccccc3)c2c1N 1772637454 XKJMKGRXKLBTEK-MUUNZHRXSA-N 411.556 4.249 0 1 HIAF COc1cc(C=CC(=O)OC[C@]2(C)C=Cc3cc(C(C)=O)cc(OC)c3O2)ccc1O 2356464885 DIFAJKVMINUCRH-DEOSSOPVSA-N 424.449 4.033 0 1 HIAF C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4045065 KRAMBMDTHQGLIN-GNOCETLISA-N 421.472 4.454 0 1 HIAF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 4206281 GPOBRHWJZYGGCV-HARLFGEKSA-N 422.912 4.472 0 1 HIAF COCCN1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C1=O 17221503 WWPQRNIXPZCCMI-ROIJKSTQSA-N 408.542 4.443 0 1 HIAF Cc1c(NC(=O)c2ccccn2)ccc2nc(N[C@H](C)c3ccccc3)oc(=O)c12 26184833 OSZMMGFQRRIBAH-OAHLLOKOSA-N 400.438 4.317 0 1 HIAF CC(C)NC[C@H](O)COc1c(Br)cc(Br)c2ccccc12 39234990 FRRHQXBBTMHANH-NSHDSACASA-N 417.141 4.103 0 1 HIAF CCCCc1nc2c(-c3ccc(Cl)cc3)n[nH]c2c(=O)n1NC(=O)c1ccccc1 49034320 DGDKYOSLJKLKKL-UHFFFAOYSA-N 421.888 4.167 0 1 HIAF O=C1CCc2cc(Cl)c(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2N1 64497204 XEAHRPNZUPHAAU-UHFFFAOYSA-N 405.690 4.332 0 1 HIAF CCN(CC)C(=O)OC[C@H](C)[C@H]1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc23)C1 66251534 UPDNWHLGXZFKKW-DFEOGRTESA-N 401.555 4.313 0 1 HIAF C[C@@]1(COC(=O)Cc2ccccc2)Cc2ccccc2CN1C(=O)Cc1ccccc1 72184031 YPOSMQPBVIXZBM-MHZLTWQESA-N 413.517 4.359 0 1 HIAF CC[C@@H]1CCCCN1c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 82066765 OAIZSJRQHJEGMJ-APWZRJJASA-N 413.522 4.032 0 1 HIAF CC(C)Oc1ccc2cc(-c3nn(CC4CCNCC4)c4ncnc(N)c34)ccc2c1 84722562 KDDHBEBXEUYFNL-UHFFFAOYSA-N 416.529 4.016 0 1 HIAF Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(Cl)cc(F)c2o1 84759300 BCSYDNWFUHERLA-UHFFFAOYSA-N 412.856 4.053 0 1 HIAF CCCC(=O)N(Cc1ccc(-c2ccc(F)cc2C(=O)O)cc1)[C@H](C(=O)O)C(C)C 95558194 DLQWLXQFGRCVAY-NRFANRHFSA-N 415.461 4.429 0 1 HIAF O=C(Nc1ccccn1)Nc1cccc2c1[C@@H]1CC3(CCN1C2=O)SCCS3 116941742 VYIRYOGIKCRYCM-HNNXBMFYSA-N 412.540 4.193 0 1 HIAF O=C([C@H]1CCCCN1)N1C[C@H](c2ccccc2)c2ccccc2[C@@H]1CN1CCCCC1 169306217 DEJHKAVMUZLZED-CYXNTTPDSA-N 417.597 4.330 0 1 HIAF Cc1sc2nc(CCCCN3CCN(Cc4ccccc4)CC3)nc(O)c2c1C 299863071 KNKRHSHJXYRJSE-UHFFFAOYSA-N 410.587 4.154 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3cnc(Cc4ccccc4)s3)nc-2[nH]1 587020724 AONBPGPPGIFTGW-UHFFFAOYSA-N 414.494 4.337 0 1 HIAF O=C(O)COc1ccccc1OCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106735 NUQISOHZFORWJK-UHFFFAOYSA-N 411.413 4.489 0 1 HIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)cc4[nH]3)cc2N1 587127454 XTTIBVSEQCMTKN-MADCSZMMSA-N 400.202 4.496 0 1 HIAF Cc1ccnc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c12 587130685 OKXZLEMYCCFOKZ-UHFFFAOYSA-N 406.396 4.483 0 1 HIAF Fc1ccc(-c2cn3c(Cc4nc5cc6c(cc5[nH]4)OCCO6)csc3n2)cc1 587166146 NNYWHRUPZFOVEY-UHFFFAOYSA-N 406.442 4.440 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cnccn2)s1 587614138 RHPYITDXKSQECO-FXAWDEMLSA-N 403.419 4.009 0 1 HIAF Cc1nn(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1Cl 587656942 MWSHDHOZEXESNQ-UHFFFAOYSA-N 424.863 4.400 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)nc(N3CCCC3)c2)N1 587738687 QEWIYWZCNLWCNH-NSPYISDASA-N 408.290 4.346 0 1 HIAF CCOC(=O)Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587793468 FJMMEMSPDAYVKY-LRTDBIEQSA-N 420.322 4.492 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(C(=O)O)ccc32)N1 587827070 NEEPSAFSXZYEHX-PRWKNARSSA-N 404.279 4.401 0 1 HIAF COc1cc(OC)cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 587862538 QSRWKVRROLSHTB-UHFFFAOYSA-N 406.360 4.283 0 1 HIAF Cc1cccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)c3cccs3)c2=O)c1 958026598 VNLHJAYRIVJEGB-UHFFFAOYSA-N 410.520 4.084 0 1 HIAF COC(=O)c1ccsc1[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962625218 BFMXRCXRLZLHCO-SIKLNZKXSA-N 404.535 4.371 0 1 HIAF O=S1(=O)CC[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(F)c(F)cc21 962659163 AVOZBTGVUVNNGK-HSZRJFAPSA-N 411.473 4.199 0 1 HIAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1OCc1ccc(C)cc1 962891369 DQKYVGATJARFSX-XUZZJYLKSA-N 421.468 4.410 0 1 HIAF CCOc1ccc(-c2n[nH]cc2[C@H]2NCCc3cc4cccc(OC)c4nc32)cc1 963046252 IZBJGJMJSLKJLC-XMMPIXPASA-N 400.482 4.267 0 1 HIAF O=C(NCc1ccco1)c1cc([C@@]2(C3CC3)c3ccc(F)cc3C[C@@H]3CCCN32)c[nH]1 963104138 HGHMWYIPRGBYLQ-CPJSRVTESA-N 419.500 4.351 0 1 HIAF O=C(CCN1CCOCC1)Nc1ccc2c(-c3cc4ccccc4o3)ccnc2c1O 1857573501 FOXYYCJUQCUSPX-UHFFFAOYSA-N 417.465 4.014 0 1 HIAF CC(=CCc1c(O)cc(O)c(C(=O)O)c1C)CCC=C(C)CC[C@H](O)C(C)(C)O 2356719155 PLQYDIDGVVEJIJ-FQEVSTJZSA-N 406.519 4.232 0 1 HIAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@H](COC(=O)CCC(=O)O)[C@@]2(C)CCc1ccoc1 2356756824 SENGMOFNXGYJSV-DRRHGHKVSA-N 418.530 4.370 0 1 HIAF O=C(NCC1CCOCC1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F 28645342 BIFWAJIKBGURHJ-UHFFFAOYSA-N 414.815 4.049 0 1 HIAF O=C(COc1ccccc1)Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1 40875419 VVTGCFSFGWYQTR-UHFFFAOYSA-N 419.868 4.116 0 1 HIAF COCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc(C)c1 82147155 ODRKTFCFPSUFEA-UHFFFAOYSA-N 410.905 4.094 0 1 HIAF Oc1cccc(-c2nc3c(NCc4cccs4)ncnc3n2C[C@@H]2CCCO2)c1 82222795 QYIJJJHMJXJRGH-INIZCTEOSA-N 407.499 4.052 0 1 HIAF C[C@@]1(CF)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccc(Cl)cc2O1 143317670 NGPPRSDYVROXLZ-QRWLVFNGSA-N 419.840 4.044 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC4CC=CC4)c3)C2)cc1 169709774 FMRNKIXSQQUSLT-GAJHUEQPSA-N 407.514 4.034 0 1 HIAF Cc1nc(OCC(C)(C)C(=O)O)ccc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)cn1 204762080 CJXHBMVBWQFUAY-UHFFFAOYSA-N 420.391 4.351 0 1 HIAF CC/C(C)=C/C(=O)O[C@H]1C=C2[C@@H](OC)O[C@H](OC(C)=O)[C@H]3CC[C@@H]4C(C)(C)[C@@H]1C[C@]234 238770577 WYBPMCYBIZBVKA-WWFNBBLPSA-N 418.530 4.145 0 1 HIAF Cc1ccc(NC(=O)c2nccnc2C(=O)Nc2ccccc2-c2cccnc2)cc1 299818775 ACOCQDUVXXZCOP-UHFFFAOYSA-N 409.449 4.352 0 1 HIAF C[C@H](C(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(-c2cccc3onc(N)c23)cc1 299862660 JZZVUNGBGHBTOG-ZDUSSCGKSA-N 418.428 4.429 0 1 HIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(CC)cc1 299881572 OEYOURCNXBLVDM-RVCNYPJRSA-N 411.498 4.265 0 1 HIAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(F)c(F)c(F)c2[nH]1 586980113 JHOOWUKGUMWOFG-UHFFFAOYSA-N 415.165 4.143 0 1 HIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCN(Cc1ccccc1)C(=O)C3 586988378 QKCNADMSHRCXFN-UHFFFAOYSA-N 420.468 4.279 0 1 HIAF CS(=O)(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586994435 RYFDWMKTABXACJ-UHFFFAOYSA-N 416.458 4.190 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587016328 KAPUMIJZCWNRIK-LBPRGKRZSA-N 408.277 4.087 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3ccc(Cl)nc3[nH]2)[C@H]1c1ccccc1Cl 587062163 UYRNZPZEFAEUSU-SCLBCKFNSA-N 419.312 4.358 0 1 HIAF Oc1ncnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 587064206 OWIHZZSTBQCSIG-UHFFFAOYSA-N 405.845 4.413 0 1 HIAF Fc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1Br 587084915 KCHCQCMEUQFBMU-UHFFFAOYSA-N 410.678 4.292 0 1 HIAF CCOc1ccccc1[C@](N)(c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(F)(F)F 587093312 RZRSVSYLYVAMFN-INIZCTEOSA-N 415.318 4.048 0 1 HIAF Cc1cc(Br)c(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1F 587138091 VYYDITBRJADFJY-UHFFFAOYSA-N 403.299 4.192 0 1 HIAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 587153751 BWIXJGIYVSCTQG-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF COc1ccc(C)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348291 NHVVOSRKXPJKDG-GBXCKJPGSA-N 419.408 4.055 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)ccc1NC(C)=O)[C@@H](C2)C3=O 587416453 BJMZKBDWGDAOQK-MGPUTAFESA-N 416.271 4.079 0 1 HIAF Cn1ccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587568937 GJYXAURYNJBTDB-QPPBQGQZSA-N 416.408 4.170 0 1 HIAF COc1ccc([C@]2(CCN(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587574296 WVOIETDBBNYXFS-RDGATRHJSA-N 419.477 4.210 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587601391 DEMYAGNAUXODHX-JBIZATPXSA-N 406.434 4.004 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC(O)CC2)s1 587612711 MRBVLSWXSFQPEF-NFBKMPQASA-N 423.490 4.118 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3cccn3)cc2)N1 587762637 YTFPOEKZIJDELS-RNODOKPDSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCC(=O)O)cc2)N1 587790782 GMSGGVPYEYXGHD-WYRIXSBYSA-N 408.267 4.065 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587827817 LFHNFFHBFONSLT-DGIBIBHMSA-N 410.283 4.305 0 1 HIAF C[C@@]1(CC(=O)c2cccnc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949500 FZFQJPRLLRSHIB-FQEVSTJZSA-N 404.432 4.240 0 1 HIAF CC[C@@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=CCN=C1 2356848047 PBZCXBQHXWOGPF-PGRDOPGGSA-N 415.530 4.432 0 1 HIAF COc1cc(Br)c(CC2=NCCc3cc(OC)c(OC)cc32)cc1OC 5732914 VTMKNFUOXXPXJN-UHFFFAOYSA-N 420.303 4.071 0 1 HIAF CCCCc1nc(CCCC)n(Cc2ccc(-c3ncccc3-c3nnn[nH]3)cc2)n1 13560871 QYQVBGMNMWFTBA-UHFFFAOYSA-N 416.533 4.254 0 1 HIAF COc1cc2c(cc1OC)CN(C(=O)[C@H](NCCCc1ccccc1)C(C)(C)C)CC2 13588131 BKDJKRNDJKWZFN-DEOSSOPVSA-N 424.585 4.226 0 1 HIAF Cc1nc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)oc1-c1ccccc1 26578764 SJKUGGAEJMMNPO-SFHVURJKSA-N 408.479 4.166 0 1 HIAF COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(C)c(C)c1 27763412 LLJBYSOGHPQPIC-OZXSUGGESA-N 406.570 4.465 0 1 HIAF CCCCCc1ccccc1/C=C/C(=O)Nc1cccc2c1O[C@H](c1nnn[nH]1)CO2 27999010 DWULGIQYOMUEAN-AIGDTVQASA-N 419.485 4.097 0 1 HIAF O[C@H](CCN1CCN(c2ccccc2)CC1)COc1ccc(-c2ccccc2)cc1 29487917 DMJPEDPFEVAEHH-RUZDIDTESA-N 402.538 4.306 0 1 HIAF Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccc(Cl)cc4)cc3c12 36242950 LXVUCCLYFIOVHQ-UHFFFAOYSA-N 415.884 4.425 0 1 HIAF CCCC[C@H](CC)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Cl)c(F)c2)C(=O)O1 40829549 ZNLUECRWFKKEBI-SEPMDONNSA-N 412.885 4.300 0 1 HIAF CCO[P@](=O)(O)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 40900763 IMLZDMUDBWXUHD-UHFFFAOYSA-N 402.412 4.097 0 1 HIAF O=C(Cc1cccc2ccccc12)N1CCN(c2ccccc2)C[C@@H]1CN1CCCC1 40977615 VOLCOWHEAGPHMZ-VWLOTQADSA-N 413.565 4.196 0 1 HIAF O=C([C@@H]1CCCCN1)N1C[C@H](c2ccccc2)c2ccccc2[C@@H]1CN1CCCCC1 45299545 DEJHKAVMUZLZED-ZNZIZOMTSA-N 417.597 4.330 0 1 HIAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@H]1CCCN1C3 68249189 ZZOJDGUYHDXOIO-LJQANCHMSA-N 411.505 4.418 0 1 HIAF CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1Oc1ccc(C)cc1 84709254 SWEWPMXVPDUMSS-UHFFFAOYSA-N 409.530 4.352 0 1 HIAF Cc1ccc2oc(=O)c3c(c2c1)NC(=S)N[C@@H]3c1cccc(Br)c1 96931736 LBEOLDOAENQDRR-OAHLLOKOSA-N 401.285 4.253 0 1 HIAF COc1cc(OC)c([C@@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)c(OC)c1 103272057 OXRRHZXIRQGING-NRFANRHFSA-N 419.481 4.267 0 1 HIAF O=C(Nc1nc2ccc(Cl)cc2s1)N1CCN(C(=O)c2cccc(F)c2)CC1 112969296 VQTQJTNJENBEND-UHFFFAOYSA-N 418.881 4.079 0 1 HIAF Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)C[C@@H]3CCCN3C5)c(=O)c2)cn1 113109749 IAQBOGSGXCSAIW-FQEVSTJZSA-N 410.521 4.220 0 1 HIAF O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2cccc3ccccc23)C1 146908896 CUMLPSALSFWUDE-UHFFFAOYSA-N 422.535 4.073 0 1 HIAF Cc1cccnc1-c1cc(N2CCC(OCC(=O)NC(C)(C)C)CC2)ncc1Cl 146910637 WMSIGZBSXBDSJG-UHFFFAOYSA-N 416.953 4.006 0 1 HIAF Cc1nc2cc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)ccc2n1C 147827738 QBIUCEGPYOMVEE-RDTXWAMCSA-N 400.482 4.000 0 1 HIAF COc1ccccc1N1C(=O)CS[C@H]1c1cccc(C(=O)NCc2ccccc2)c1 169342696 WVULUTOQONNQSU-DEOSSOPVSA-N 418.518 4.404 0 1 HIAF CN(C(=O)[C@@H]1CC[C@H](c2ccccn2)NC1=O)c1ccc(Oc2ccccc2)cc1 207628906 WUOSFHWUMGUCJJ-IFMALSPDSA-N 401.466 4.104 0 1 HIAF CSc1ncc2c(n1)CN(c1ccnc(C(=O)Nc3cccc(C(C)C)c3)c1)C2 215910369 GZPXCEBXTYNBSD-UHFFFAOYSA-N 405.527 4.489 0 1 HIAF COC[C@@H](C/C=C/c1ccc(OC)c(OC)c1)[C@@H](O)c1ccc(OC)c(OC)c1 238771619 DYVFUMMQRMNAMH-KUSROVSMSA-N 402.487 4.121 0 1 HIAF Brc1ccc2c(cnn2CCc2nc3cc(Br)ncc3[nH]2)c1 587001873 HWCLITFKILIOGN-UHFFFAOYSA-N 421.096 4.075 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587145807 RMJXFTXKEZAMHL-UHFFFAOYSA-N 413.449 4.425 0 1 HIAF Fc1nc(Cl)ccc1-c1nc2c(Br)cnc(Br)c2[nH]1 587177565 NHPIKDFYKPUYER-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 587231376 NTSHRGGBBRCCLI-VXGBXAGGSA-N 414.731 4.015 0 1 HIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cncc(Br)c3[nH]2)c1 587239913 BLTSCEPGYAHGFQ-UHFFFAOYSA-N 405.252 4.440 0 1 HIAF CCCCOc1cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2cc1Br 587248108 DALCZNUUUHQFSX-UHFFFAOYSA-N 404.264 4.452 0 1 HIAF O=C(c1ccc(Br)s1)c1c(CO)oc2cc(Br)cnc12 587275993 JDTDFMOYDLKWKF-UHFFFAOYSA-N 417.078 4.138 0 1 HIAF COC(=O)C[C@]1(O)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587365007 BWBJBTBBALCMRC-VWLOTQADSA-N 417.461 4.440 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1nc(C)c(Br)c1C)CC2=O 587458073 PLVFODNKXJDTIZ-LJQANCHMSA-N 407.308 4.345 0 1 HIAF CC(C)(C)OC(=O)N1CCC2(CC1)OC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587515908 XFTAQJGJFSBCAG-XMMPIXPASA-N 413.514 4.069 0 1 HIAF C[C@@]1(c2ccncc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548704 VGBUKOBNFPKTSG-PXNSSMCTSA-N 412.239 4.427 0 1 HIAF Cc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575754 DAOWCTXIDMJYJE-QPPBQGQZSA-N 403.434 4.450 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCCc2ccccc2)N1 587754026 IUUJBFYGPJHYFI-SZNDQCEHSA-N 419.338 4.087 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Cn2cccn2)N1 587760706 QAOYEQFOTYGNNZ-RNODOKPDSA-N 400.295 4.457 0 1 HIAF COc1nc(N2CCCC2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587765978 LPHLMHRQPOAZGU-CWTRNNRKSA-N 420.326 4.216 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c(O)nc2-c2ccccc2)N1 587792539 OSUZJBLCJLQNOW-BTDLBPIBSA-N 402.267 4.308 0 1 HIAF COCCOc1cc2c(cc1[C@@H]1NCCc3cccc(-c4ccccc4)c31)OCO2 962668971 RJJQVKDDNNPUPO-VWLOTQADSA-N 403.478 4.343 0 1 HIAF CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@H]1NCCc3c(C(=O)O)cccc31)CC2 963128501 AVRNVBDGYWZXJW-IBGZPJMESA-N 415.873 4.246 0 1 HIAF CSC[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172575 DDMKMFHUCJVNMK-JQWIXIFHSA-N 407.763 4.078 0 1 HIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1cccc(CC(N)=O)c1N 963245110 ZIPMVYBOKBCJDJ-WINIVTDRSA-N 413.565 4.245 0 1 HIAF NC1CCN(c2nc(Nc3cc(-c4ccccc4)[nH]n3)c3cc(Cl)ccc3n2)CC1 1772579248 HSWPYWJLTHVCAK-UHFFFAOYSA-N 419.920 4.344 0 1 HIAF COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc4c(c3)CC(=O)N4)cc1)CC2 1857569583 RYGBTSZICQZDOA-UHFFFAOYSA-N 414.505 4.424 0 1 HIAF CC(=O)Nc1ccc(CNc2nc3cc(-c4ccsc4)sc3c(=O)n2C)cc1 61926215 NTMAPNAOVREVJO-UHFFFAOYSA-N 410.524 4.294 0 3 HIAF Cc1ccc(CN2CCCC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 200053431 QXSOUPSBCCJMNM-IBGZPJMESA-N 404.432 4.325 0 3 HIAF O=c1cc(-c2ccncc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12 12356391 GPVSHWFCGTYUGK-UHFFFAOYSA-N 422.525 4.251 0 1 HIAF COCCOc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OC 13528705 VHHKIYCOCDPYME-UHFFFAOYSA-N 404.264 4.170 0 1 HIAF Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)c1c(n2CCC(=O)O)CCCC1 28344552 SFUNRDCJOVLIPG-UHFFFAOYSA-N 412.511 4.104 0 1 HIAF [O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3cccc(Cl)c3)nc12 28526354 DCIWCRNLCDDMQZ-UHFFFAOYSA-N 416.815 4.304 0 1 HIAF CCOC[C@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528436 XISSKUCOTAAYKE-JOCHJYFZSA-N 423.532 4.460 0 1 HIAF C[C@H]1C(=O)[C@H](C)[C@H](c2cccc(F)c2)N(C(=O)Cn2ccnc2)[C@@H]1c1cccc(F)c1 195399289 RPBVLVICPNKVAG-XJRMGRDKSA-N 423.463 4.327 0 1 HIAF CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1[C@H](C)O 217847011 RYXCQMCDTUCUJT-LBPRGKRZSA-N 412.515 4.100 0 1 HIAF CC[C@@H]1COCCN1c1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1 221727227 HIOLHQVNMHVRKB-MRXNPFEDSA-N 416.485 4.168 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 299879896 LKIKRFUYRAOTBB-SPVIKVHDSA-N 406.935 4.017 0 1 HIAF CCC(=O)Nc1ccc(-c2ccc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)cc2)cc1 474605866 GODKWHBVIMYRLT-UHFFFAOYSA-N 402.429 4.483 0 1 HIAF CN(C)CCOc1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914458 NBLZSPHKZDDVOT-UHFFFAOYSA-N 417.465 4.272 0 1 HIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 586940280 YXYHXAGCZPXKFP-NSHDSACASA-N 413.421 4.205 0 1 HIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586962816 HUQSQANLNBOOEJ-LURJTMIESA-N 404.805 4.024 0 1 HIAF Cc1onc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)c1COc1ccc(Cl)cc1 587078191 KJWSMQYPGROVAW-UHFFFAOYSA-N 417.874 4.162 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)c(F)c2)c1 587147124 HPVIZWAEQIEUGL-UHFFFAOYSA-N 406.369 4.441 0 1 HIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O[C@@H](C)C(=O)O 587374914 KKNXKTVCCZUWEQ-APPDUMDISA-N 419.861 4.188 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C)C(=O)O)(c1cccc(Br)c1)O2 587376708 JYGOWKVKQVWBIZ-MPBGBICISA-N 418.287 4.311 0 1 HIAF CCOc1nc2sccn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619079 QOOUEVVMTDHSSO-HNAYVOBHSA-N 408.435 4.203 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3cnc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 587665389 LVEMORUJLHXBSU-UHFFFAOYSA-N 421.888 4.048 0 1 HIAF CCn1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587708938 GJCVVFXCVGXIPG-JDNHERCYSA-N 420.248 4.453 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2ccnc2)(c2ccccc2)N1 587757959 WHOUMXNYWNMHCS-XOBRGWDASA-N 400.295 4.263 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C(=O)OC(C)(C)C)CC2)N1 587771220 WCXKVSAIRFVOHZ-BLVKFPJESA-N 411.315 4.472 0 1 HIAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587836980 CQUZZYRMHWWNEZ-YBTHPKLGSA-N 418.262 4.035 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSCC(=O)O)(c2ccccc2)N1 587849023 YQRKCUVEGDCTDB-HXPMCKFVSA-N 424.335 4.184 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N(C)C)nc2Cl)N1 587851733 IYQMDUMFJSEPBU-MADCSZMMSA-N 404.736 4.388 0 1 HIAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962706940 MUPPRYBFKOPXKN-QSAZIKIQSA-N 400.563 4.049 0 1 HIAF COc1cccc2cc3c(nc12)[C@@]1(CCCc2[nH]nc(Nc4ccccc4)c21)NCC3 963058389 OFMIVTPVOHKPEY-VWLOTQADSA-N 411.509 4.436 0 1 HIAF CO[C@H]1CN(Cc2ccc([C@H](C)NC(C)=O)cc2)Cc2ccc(OCC3CC3)cc21 1772612487 HZCWGFHKRSFTGP-GKVSMKOHSA-N 408.542 4.376 0 1 HIAF C[C@H](C(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12)c1ccc(C[C@@H]2CCCC2=O)cc1 2356761033 BYGRKFHIDXVJAJ-ZNEWLNCYSA-N 410.602 4.425 0 1 HIAF Cc1c(C(=O)NCc2ccccc2C(F)(F)F)sc(=O)n1Cc1ccc(F)cc1 61906194 ZQDQVTPOIBIGRS-UHFFFAOYSA-N 424.419 4.354 0 3 HIAF COc1ccccc1-c1c(F)c(F)c(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1F 3948048 HCXILGIDNGULJQ-UHFFFAOYSA-N 409.335 4.422 0 1 HIAF c1cncc(-c2nc3c4ccccc4nc(NCCCN4CCCCCC4)n3n2)c1 6805441 YYHGWRTZLAQSJZ-UHFFFAOYSA-N 401.518 4.018 0 1 HIAF O=c1c2ccccc2sn1CCCCN1CCN(c2nsc3ccccc23)CC1 13738137 FRCBWZUARWAHEX-UHFFFAOYSA-N 424.595 4.275 0 1 HIAF CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1CCCC1)c1cc(Cl)ccc1-2 13796100 IZDFQLCCPIBHAU-UHFFFAOYSA-N 402.882 4.017 0 1 HIAF O=C(O)COc1c(O)cc(Br)cc1OCc1ccc(C(F)(F)F)cc1 28825954 GHQRZSPUUPALGI-UHFFFAOYSA-N 421.165 4.216 0 1 HIAF CC1(C)CN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1CCO 58504673 UNEFAEQTOYZREV-IRLDBZIGSA-N 402.941 4.444 0 1 HIAF CN(c1ccccc1)c1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 64527602 CLDBGBVJWUYGJV-UHFFFAOYSA-N 410.521 4.444 0 1 HIAF COc1cc(C[C@@H]2CCCC[C@@H]2O)c(Br)c(Br)c1OC 82154567 FQNQZQJJUNTVIK-ONGXEEELSA-N 408.130 4.322 0 1 HIAF Cc1cccc(C)c1-n1c(CNc2ncnc3[nH]cnc23)cc2cccc(C)c2c1=O 88346027 PYLZWFHIABCXBD-UHFFFAOYSA-N 410.481 4.194 0 1 HIAF CC[C@@H](C)C(=O)O[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 97975246 PCZOHLXUXFIOCF-AXDQNNBTSA-N 404.547 4.196 0 1 HIAF Cn1nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccc(C(=O)O)cc3)nc2c1=O 103272343 UJTNDQNZBHBOTH-UHFFFAOYSA-N 422.444 4.151 0 1 HIAF COc1ccc2nc3c(O)n(-c4ccc(Br)cc4)c(S)nc-3c2c1 104115858 MTDQYSAEBKMHIN-UHFFFAOYSA-N 402.273 4.291 0 1 HIAF CC(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 117428793 FVWMDPLFGXHGCN-HXUWFJFHSA-N 402.454 4.186 0 1 HIAF O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1cc(Br)ccc1-n1cccc1 503986710 ZIAYCBLPFJWYFS-VQIMIIECSA-N 416.363 4.234 0 1 HIAF biogenic CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Cl)nc2[nH]1 586938419 VUFIPZRSEAJEND-AWEZNQCLSA-N 424.979 4.001 0 1 HIAF Cc1csc([C@](O)(Cc2nc3cc(Br)cc(C)c3[nH]2)C(F)(F)F)n1 587094709 UAEQTDVAFVQRDK-CQSZACIVSA-N 420.254 4.391 0 1 HIAF COc1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cc1C 587154488 QGFKYQJRBMKYSB-UHFFFAOYSA-N 411.458 4.487 0 1 HIAF CC[C@H](c1nc2cc(F)c(F)c(F)c2[nH]1)n1cc(I)c(C)n1 587185940 QGEXRPUGXWKZNV-SNVBAGLBSA-N 420.176 4.089 0 1 HIAF Oc1nc(O)c2ccc(-c3cn(Cc4ccc(Cl)nc4)c4ccccc34)nc2n1 587369291 YZKGLCAAWOKRLO-UHFFFAOYSA-N 403.829 4.154 0 1 HIAF COc1cc2c3c(c1)O[C@@H]([C@H]1CC[C@@H](NC(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587431472 GHSBJUFPNNAPDV-IXQHNQIXSA-N 421.493 4.296 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](NC(=O)OC(C)(C)C)c4ccccc41)[C@@H](C2)C3=O 587431541 GXLZZJLDQPHZMV-HOOSLVGPSA-N 407.466 4.308 0 1 HIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)C2)C1 587475937 REFBXQNQLAESGH-UHFFFAOYSA-N 401.503 4.470 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@]1(c2cccc(F)c2)CCOC1 587569604 INADHDGSFSNBLM-ZTCOLXNVSA-N 406.409 4.220 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cnccn1 587574004 XVLRHNSNLYYBKL-XUZZJYLKSA-N 414.392 4.227 0 1 HIAF Nc1cccc([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575786 DJQGKZYAQCAHCX-DHLKQENFSA-N 410.429 4.275 0 1 HIAF COc1ccc2c(c1OC)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599315 FEPDBIUBRBWQHH-RDPSFJRHSA-N 404.418 4.213 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cn2)N1 587679431 FFZXPKYBHKNLFF-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587696001 KKOCNLFKXATFOU-CVJBHZAOSA-N 409.686 4.280 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(C(F)F)N1 587723393 WODGKBQWLKVOMC-XYZCENFISA-N 402.210 4.449 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccncn3)s2)N1 587856158 WJDAQXUIKHEDFD-JDNHERCYSA-N 405.296 4.125 0 1 HIAF C[C@]1(c2cc(Cl)ccc2OC(F)F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963227090 FKOCDLAGUJDCHO-LAUBAEHRSA-N 418.827 4.352 0 1 HIAF CC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)OC)c2cn1)c1ccc(Cl)cc1 1772621389 MOAKNEIUPPSPNJ-CYBMUJFWSA-N 402.842 4.062 0 1 HIAF Nc1[nH]c(=Nc2ccccc2)sc1-c1nc2ccccc2c(=O)n1-c1ccccc1 1857612279 HROLZIJREUTORL-UHFFFAOYSA-N 411.490 4.257 0 1 HIAF Cn1ncc2c(=O)n(-c3cccc(Cl)c3)c(SCc3cccc(F)c3)nc21 1857754211 VBFGXTXPUNYLRH-UHFFFAOYSA-N 400.866 4.204 0 1 HIAF COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@@H]1C(C)C 2356315373 RQVIAJZCWQFVSK-JENIJYKNSA-N 415.509 4.035 0 1 HIAF CC(=O)O[C@@H]1C=C(C)[C@H](O)CC=C(C)C[C@H](OC(=O)c2ccccc2)[C@@H]1C(C)C 2356407022 NJSSIGJNKWSAJR-ACESQOTJSA-N 400.515 4.463 0 1 HIAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 2356666929 PQYAWMPAHUIQOS-WMTXJRDZSA-N 419.569 4.373 0 1 HIAF CC(=O)OC1=C[C@]2(OC1=O)[C@H](C)CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 2356839231 LRXVNKHVSMZEPI-GEWFTVGHSA-N 404.547 4.379 0 1 HIAF C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2cc3sccc3n2C)C1 4101441 RGDVXUUUSIMRPJ-MJGOQNOKSA-N 423.582 4.230 0 3 HIAF Cc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc23)o1 4111851 LTPVYTFQTXJWIL-DHIUTWEWSA-N 413.477 4.296 0 3 HIAF CCCCNC(=O)c1c(CSc2ccccc2)noc1C(=O)NCc1ccccc1 13660881 NXSJWEAKJGETRH-UHFFFAOYSA-N 423.538 4.427 0 3 HIAF Cc1ccccc1C(=O)N[C@@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O 199411581 JTCSCFIXDDIRSK-LJQANCHMSA-N 404.432 4.325 0 3 HIAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)c1 767895 AFZQFMCFVQXPJT-LADGPHEKSA-N 415.493 4.076 0 1 HIAF CCCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13823711 ITBOPRZIRCTIHF-UHFFFAOYSA-N 411.889 4.392 0 1 HIAF N=C(N)c1cccc([C@@H]2Oc3ccccc3N(CCCCCN3CCCCC3)C2=O)c1 13834516 BSUGZKLIRUEXFN-QHCPKHFHSA-N 420.557 4.094 0 1 HIAF O=C(O)CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCCCCC1 27209268 JMMHBHKGGRZWAT-IBGZPJMESA-N 422.953 4.313 0 1 HIAF Cc1ccc(C(=O)COCc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C 28525328 WBCVMAVNUDRXKK-FGZHOGPDSA-N 403.478 4.159 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c3c1OCO3)C[C@H](C)[C@@H](C)C2 33833412 MXQNEADTXQGZEJ-STQMWFEESA-N 400.471 4.488 0 1 HIAF biogenic CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](C)CN2 82211948 MHBIZMCDSSYPIV-INIZCTEOSA-N 406.530 4.046 0 1 HIAF CCc1[nH]c2nc(Sc3ccc4cccnc4c3)nc(N3CC[C@@H](N)C3)c2c1Cl 95589557 BKPQSQWHCSQCSG-CYBMUJFWSA-N 424.961 4.411 0 1 HIAF C[C@H]1C/C=C/C[C@@H](c2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)c2ccccc2O1 95662867 GDGOWZRPPFKRJA-VTUUVKSVSA-N 410.489 4.261 0 1 HIAF CN1[C@H]2CC[C@@H](OC(=O)[C@@](O)(c3ccccc3)c3ccc(Cl)c(Cl)c3)[C@H]1CC2 101106881 BUURAUUIILIYRI-KREFBHGWSA-N 420.336 4.398 0 1 HIAF Cc1c(Cc2ccc(=O)n(CCCC(F)(F)F)c2)c2cc(F)ccc2n1CC(=O)O 117015779 AOSPJIRCOAPBCN-UHFFFAOYSA-N 424.394 4.268 0 1 HIAF CN(c1nc2ccccc2s1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118885741 PFVDHRRZUNXHMM-AWEZNQCLSA-N 409.486 4.468 0 1 HIAF C[C@@H]1N[C@@H]2CCCCCC(=O)O[C@H]3CC[C@@H](CCCCCC(=O)O[C@H]1CC2)N[C@H]3C 135702171 XOGWGGHUKKQJPR-RBFKZVKLSA-N 422.610 4.006 0 1 HIAF O=C(CCCCCSc1nc(=O)cc(-c2ccc(-c3ccccc3)cc2)[nH]1)NO 140786767 KGFPPHGIBSDRGO-UHFFFAOYSA-N 409.511 4.262 0 1 HIAF OCCCCOc1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144847219 JTEUHXLQXWHWGA-OAQYLSRUSA-N 416.399 4.074 0 1 HIAF C[C@@H]1CCC/C=C\CCC(=O)C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1 169291715 KMKZBIGDFUKDCN-KYJQFPLOSA-N 402.531 4.124 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C2CCCCCC2)c1 169707012 WYLATJRECDOEEC-IBGZPJMESA-N 408.546 4.473 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 299874588 BPWDSPAVXPYHNH-OAGGEKHMSA-N 411.506 4.062 0 1 HIAF Cc1c(-c2nc3ccc(Br)c(O)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073046 ADDAGKGAVFJUSX-UHFFFAOYSA-N 418.682 4.300 0 1 HIAF CCOC(=O)c1cnn(-c2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)c1C(F)(F)F 587115087 MYAQLMKUYZFHLN-UHFFFAOYSA-N 419.338 4.145 0 1 HIAF FC(F)(F)c1nn(CCc2nc3cc4c(cc3[nH]2)OCCO4)c(C2CC2)c1Cl 587117896 XPVXZTNAVYTZCF-UHFFFAOYSA-N 412.799 4.323 0 1 HIAF O=C1C[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F 587151254 XXIYYTNQZNCKBG-NSHDSACASA-N 411.330 4.256 0 1 HIAF Nc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1CC(=O)O 587250795 ZDDACZJBGNYIBD-UHFFFAOYSA-N 414.181 4.221 0 1 HIAF Cc1ccc(F)cc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330515 FTLPRZHKDFPQBJ-REWPJTCUSA-N 410.372 4.318 0 1 HIAF CCc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587344051 BOBCZNWOEVSWQQ-URXFXBBRSA-N 403.409 4.300 0 1 HIAF COC(=O)[C@H](C)[C@]1(c2cccc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587377211 LPRXOFFDOJQYOD-YUNKPMOVSA-N 418.287 4.010 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(NC(C)=O)cc1)CC2=O 587470811 OPCURFDZALAMEO-QHCPKHFHSA-N 411.454 4.029 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)c(Br)cc12 587508434 PJWBASIUQQGVRY-FQEVSTJZSA-N 416.246 4.280 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC(=O)N(C)C)N1 587739974 IZGWPJMYLNKXMF-BBATYDOGSA-N 407.283 4.272 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccccc3oc2=O)N1 587841674 NDCZBJRESBYJFV-YBTHPKLGSA-N 402.263 4.492 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCSCC3)nc2)N1 587857143 PIYRPXRBXIBBHI-CWTRNNRKSA-N 422.367 4.160 0 1 HIAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2sc(=O)oc12 587857700 UGGMTOTWKIHEES-VPTHRUTESA-N 424.291 4.388 0 1 HIAF COc1ccc(-c2nc3c(NCC4CCN(C)CC4)c(Cl)cnc3[nH]2)cc1OC 653799571 HNAYBEGORFVABZ-UHFFFAOYSA-N 415.925 4.049 0 1 HIAF COCCOc1cc2c(cc1[C@H]1NCCc3cccc(-c4ccccc4)c31)OCO2 962668962 RJJQVKDDNNPUPO-RUZDIDTESA-N 403.478 4.343 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 962950465 RPQFNEHMQIUYRU-VOIUYBSRSA-N 411.546 4.087 0 1 HIAF CC(C)[C@@]1(CCc2cccc(N)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957866 CSIODTRSWZSNRV-DYESRHJHSA-N 408.876 4.283 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@](c3cccc(CN4CCCCC4)c3)(C3CC3)c3cccc1c32 963025588 OQPNZZPOIWMRQO-HRFSGMKKSA-N 415.581 4.379 0 1 HIAF CN1C(=O)C[C@H]2CN[C@@](c3ccc(C(C)(C)C)cc3)(C3CCNCC3)c3cccc1c32 963038649 XKIGWXZBLDXKCK-MYUZEXMDSA-N 417.597 4.281 0 1 HIAF CCN1C(=O)[C@]2(NCCc3cc(Cl)ccc32)c2cc(C)cc(Br)c21 963390587 KWYKFRYMFOEEMV-LJQANCHMSA-N 405.723 4.167 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cc(-c3ccco3)ccn2)C1 1772579815 MNASAMZEEJQDJM-INIZCTEOSA-N 409.873 4.486 0 1 HIAF CO[C@H]1CC[C@@H](c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)c(F)c3)n2)C1 1772590177 XTXSEHNHNJBSAC-AEFFLSMTSA-N 420.488 4.077 0 1 HIAF COc1ccc(N(CC2CCCC2)C(=S)NCCCn2cncc2C)cc1OC 1857546259 FRDFGWHXWAYSOC-UHFFFAOYSA-N 416.591 4.170 0 1 HIAF CCCCc1cc2c(=O)c(C(=O)NCC)c[nH]c2cc1OCCOc1ccccc1 1857553674 CGYWAQCIIRGCJI-UHFFFAOYSA-N 408.498 4.078 0 1 HIAF C[C@@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc3c(c2)CCN3Cc2ccc(F)cc2)C1 1857558079 CMSGDSXKGDYZFN-IAGOWNOFSA-N 417.550 4.023 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)[C@H](OC)[C@@H](C)[C@H](C)C2 2356458700 RCTRTBIRSVYGPR-XAAFQQQXSA-N 416.470 4.330 0 1 HIAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1OC 775200 DORXOKAHBMWNAE-KBXCAEBGSA-N 412.461 4.293 0 1 HIAF COc1ccc(CC(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccc(F)cc2)cc1 2724160 HUCGBGUKKBNWEN-VWLOTQADSA-N 418.468 4.256 0 1 HIAF CC(C)(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)Cc2ccccc2)C3)cc1 13643141 OEXOAONFGZUXSU-UHFFFAOYSA-N 402.498 4.044 0 1 HIAF COCC(COC)N1C[C@H]2CCN(c3ccc(Cl)cc3Cl)c3nc(C)nc1c32 28120975 BHDYXXXAIGXVAS-CYBMUJFWSA-N 423.344 4.199 0 1 HIAF O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCC1)C(=O)Nc1ccc(Cl)c(F)c1 66262681 AFDBDOJIONZGFY-GOSISDBHSA-N 424.303 4.024 0 1 HIAF CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c(Cl)c1 71334652 BKMNDIUYMMHTDG-UHFFFAOYSA-N 422.808 4.283 0 1 HIAF O=C(NCC1CC1)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1 82139856 NZVAJCPNIYDMCF-UHFFFAOYSA-N 408.452 4.216 0 1 HIAF Cc1ccccc1-n1c([C@@H](C)Nc2ncnc3[nH]cnc23)cc2cccc(C)c2c1=O 88345697 ROLCEJORSNBVLQ-MRXNPFEDSA-N 410.481 4.447 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1ccc2c3c(c(=O)oc2c1C)CCC3 103179908 NKYHYXJOJVJFSJ-KGENOOAVSA-N 420.461 4.329 0 1 HIAF CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917875 XEKUMIDAHMMSES-PUKMWHNVSA-N 402.623 4.168 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(C)C)c3C)C2)cc1 169709831 XSWYQQUIGVCLHY-PGRDOPGGSA-N 411.546 4.280 0 1 HIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCCN4CCOCC4)cc3)cc12 205302853 RHWVKZPITKBHLD-UHFFFAOYSA-N 414.889 4.288 0 1 HIAF Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4F)cc3)c12 299862633 JZEWYKHHCPIPDI-UHFFFAOYSA-N 405.433 4.103 0 1 HIAF CCCCOc1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Br 586970424 ZVPXSOYRQCBWMI-UHFFFAOYSA-N 408.321 4.430 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cncc(Br)c2[nH]1 587041876 GDUBHQMHJHISKS-LBPRGKRZSA-N 409.696 4.029 0 1 HIAF CCCCOc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1Br 587248125 DRPJCRZRRYXRFP-UHFFFAOYSA-N 404.264 4.452 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN1CCOCC1)(c1ccc3ccccc3c1)O2 587400023 NOMMGKOPAXGDTR-SANMLTNESA-N 416.521 4.313 0 1 HIAF COc1ccc(OCCn2cccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431969 SJHCFTAYRHJVFT-DVECYGJZSA-N 405.450 4.073 0 1 HIAF C[C@]1(c2c(Cl)ncnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554260 WPJKFGUXNIIMPT-YJYMSZOUSA-N 403.221 4.366 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587702284 WFUUDOVXEJHSBB-LZVRBXCZSA-N 409.686 4.280 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OC[C@H]3CO3)c2)N1 587835983 YIDAKEYXJYYOSW-ADYAMRHXSA-N 406.295 4.164 0 1 HIAF CC(=O)Nc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852087 KEEBIZOZXSPGFY-WNWIJWBNSA-N 412.328 4.109 0 1 HIAF CC(=O)Nc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856715 YZCPHSLEJWCIPQ-WNWIJWBNSA-N 412.328 4.109 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2ccn(C)n2)n1 587859321 DOPFARRYYNUOAY-UHFFFAOYSA-N 415.284 4.435 0 1 HIAF FC(F)(F)c1cccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)c1 1772571243 IABRPRLOJUFYED-UHFFFAOYSA-N 400.408 4.004 0 1 HIAF CCCc1n[nH]c2cc(O)c(C(=O)N(C)c3ccc(C4CCN(C)CC4)cc3)cc12 1772629823 OFGXADJMYNRAIV-UHFFFAOYSA-N 406.530 4.307 0 1 HIAF COc1ccc(-c2coc3cc(OCCOCCN4CCCCC4)ccc3c2=O)cc1 1857533841 ATLHCIRVSZLKAB-UHFFFAOYSA-N 423.509 4.350 0 1 HIAF Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(C(F)(F)F)c1)CS(=O)(=O)O2 1857547423 VUIFQCLGLTVSJF-INIZCTEOSA-N 408.401 4.054 0 1 HIAF COc1ccc(F)cc1-c1nn(-c2cc(OC)c(OC)c(OC)c2)c2ncccc12 1911571988 IIQNPPLKFDRLFS-UHFFFAOYSA-N 409.417 4.261 0 1 HIAF O=S(=O)(NC1CC1)c1ccc(-c2ccsc2)c(Nc2nc3ccccc3[nH]2)c1 1911584988 YMDIQRNZNMKLCU-UHFFFAOYSA-N 410.524 4.476 0 1 HIAF CC1=C[C@H](CN2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356300686 LVCGIHKLZJSKIK-ZRBLBEILSA-N 424.589 4.233 0 1 HIAF Cc1ccccc1-n1ncc2c(SCC(=O)N3c4ccccc4C[C@H]3C)ncnc21 1346290 RMEJZDXNPJNPSY-MRXNPFEDSA-N 415.522 4.194 0 3 HIAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1OC 773613 JGQBTYUJGALDJT-RDTXWAMCSA-N 412.461 4.293 0 1 HIAF Cc1cc(Cl)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1 3814613 REDAATULTWUFNX-UHFFFAOYSA-N 415.824 4.167 0 1 HIAF O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(F)cc1Cl 13607651 KDPOEAJPSXPEJK-CQSZACIVSA-N 407.898 4.056 0 1 HIAF COc1ccc2[nH]c([S@](=O)Cc3ncc(C)c(N4CCCCC4)c3Cl)nc2c1 26149352 XCNBZFNYBJKAQW-NDEPHWFRSA-N 418.950 4.226 0 1 HIAF O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28525508 SWAPELXGNLSFEZ-RTBURBONSA-N 416.319 4.098 0 1 HIAF CCCc1cccc([C@@]2(c3ccc(OC(F)(F)F)cc3)N=C(N)N3CCCN=C32)c1 38239455 UZPWRQOCXKHIDG-OAQYLSRUSA-N 416.447 4.214 0 1 HIAF O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)OC12CC3CC(CC(C3)C1)C2)c1ccccc1 40950450 RUCOKELOLUUDQF-NSRGVXFNSA-N 419.521 4.031 0 1 HIAF FC(F)(F)c1cccc(-n2nnc3ccc(NCC4CC5(CCNCC5)C4)nc32)c1 73276525 XSOGQUXEVBPTQF-UHFFFAOYSA-N 416.451 4.026 0 1 HIAF CCN(CC)CCCNc1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)o1 84618719 LRMBVHMILAILMV-UHFFFAOYSA-N 411.481 4.272 0 1 HIAF CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2c(OC)cccc2s1 84652353 DVHVFJLTYIZULH-UHFFFAOYSA-N 416.300 4.329 0 1 HIAF COc1nc(/C=C/c2ccc(O)c(OC)c2)cc(/C=C/c2ccc(O)c(OC)c2)n1 84689469 ILMXWPDWEWRNRJ-KBXRYBNXSA-N 406.438 4.254 0 1 HIAF COCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 202702301 NRWINRAYDBDNTH-NRFANRHFSA-N 418.497 4.286 0 1 HIAF Cc1cccc(C)c1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O 209704946 IODQTMWXBBSXOO-FQEVSTJZSA-N 402.494 4.308 0 1 HIAF Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(C#N)[nH]c1C 219049652 BNRBRWWYXAUXAP-UHFFFAOYSA-N 409.493 4.457 0 1 HIAF C1=NCCOCCN=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2 254194428 YTFNLOFSRQJZAE-UHFFFAOYSA-N 415.493 4.108 0 1 HIAF O=C(O)/C=C\c1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1 586882413 SBYFTKUTXGWUDV-WAYWQWQTSA-N 423.064 4.248 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnc(Cl)[nH]c-3n2)C[C@@H]2CCCC[C@H]21 587024987 DIXXQCLSZLUQNO-CFVMTHIKSA-N 401.923 4.094 0 1 HIAF Cc1c(Br)cnc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc12 587117626 HFCXEDWLXFWWMX-UHFFFAOYSA-N 400.202 4.170 0 1 HIAF Cc1cnc(Cl)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 587119504 XICYUQMWUCUZSY-UHFFFAOYSA-N 408.609 4.140 0 1 HIAF C[C@@H](c1nc2c(O)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199567 ITLLOLFTDUWFJM-ZDUSSCGKSA-N 415.453 4.000 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239626 MEEGBPXFEMNWRV-DBLBYYFGSA-N 407.461 4.396 0 1 HIAF Cc1cc(C)c([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 587347242 ARRSHYMLOJJBSA-WIOPSUGQSA-N 422.452 4.022 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccccc1Br)O2 587375023 BFOJZXREOINIEF-LJQANCHMSA-N 404.260 4.065 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(Br)cc1Br)O2 587377249 LWTWNYQVLQARRA-CYBMUJFWSA-N 412.081 4.204 0 1 HIAF COc1ccc2c(c1)O[C@@H](c1ccccc1)C(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587410879 GVIJXHKUNRPXKN-WIOPSUGQSA-N 415.445 4.149 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)nn1[C@@H]1CCCCO1)[C@@H](C2)C3=O 587422039 NFMDWWNZBRRMPX-XGINMYPSSA-N 408.376 4.098 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H]1CC[C@H](C(=O)O)CC1)[C@@H](C2)C3=O 587427087 GSTSJWSSBNZSPA-AAOIWYIMSA-N 410.441 4.368 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)CC2=O 587469002 ZXVVVCFXHFFFGM-FCHUYYIVSA-N 407.482 4.418 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCCCC3)cc1)CC2=O 587476616 VSWUEYKQZNEXBG-HSZRJFAPSA-N 423.509 4.443 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)c(F)c1 587553132 FRYNXVKGFHKDQQ-URXFXBBRSA-N 421.424 4.071 0 1 HIAF C[C@H](Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O 587596306 QRQVGPFVMPTROR-QRUVEDRTSA-N 420.417 4.121 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc2c(c1)OCCO2 587611494 RZQSCFFTOUQULU-SIKLNZKXSA-N 404.418 4.126 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)(F)C(F)(F)F)N1 587708818 DYMVDBFTEAAPML-CPFSXVBKSA-N 418.175 4.494 0 1 HIAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C)C 587741828 PGPDBZSXFVMDDO-FKIZINRSSA-N 407.327 4.282 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(C2CC2)N1 587754508 KDEWXLWYMSGXFC-WLRWDXFRSA-N 413.331 4.252 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587760373 XWACYNYCRNQORV-PRWKNARSSA-N 415.310 4.409 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795259 IFHFIABERDKLPL-XCLFUZPHSA-N 406.295 4.238 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccc(C(=O)O)c23)N1 587802876 OASLXNWDSQLYEZ-YYSFKGJASA-N 403.251 4.391 0 1 HIAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)ccc1OCC(F)F 962640529 RFRLLXWOJZDIQY-ASSNKEHSSA-N 407.457 4.322 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc(O)c3ccccc23)N1 962709507 QUBVATNZMALESU-MJGOQNOKSA-N 405.347 4.392 0 1 HIAF O=C(O)c1cccc2c1CCN[C@@]2(c1ccc(Br)c(F)c1)C1CCC1 963133931 UWJDRFYEXLGECH-HXUWFJFHSA-N 404.279 4.476 0 1 HIAF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2C[C@H]3CC[C@H]2C3)cn1 1772623180 WMQAHZDDTGBJQY-DHSIGJKJSA-N 405.329 4.047 0 1 HIAF O=C(Nc1ccc(CN2Cc3ccccc3C2=O)cc1)N1CC[C@H](c2cccnc2)C1 1857547699 MUZNPAOOFZUPEM-FQEVSTJZSA-N 412.493 4.259 0 1 HIAF COc1ccc([C@@H](CC(=O)N2CCC[C@@H](C)C2)c2c(O)cc(OC)cc2OC)cc1 13661412 JESWDHXLYTYZAC-OXQOHEQNSA-N 413.514 4.199 0 3 HIAF CN(C)c1ccc(NC(=O)Nc2ccc3c(c2)c(=O)n(C)n3-c2ccccc2)cc1 61926438 RNLHEOXBLPTJDM-UHFFFAOYSA-N 401.470 4.039 0 3 HIAF Cc1ccnc(NC(=S)N2C[C@@H]3CN(c4cccc(C(F)(F)F)c4)C[C@@H]3C2)c1 95570137 KRIXABFYBRTIIS-GASCZTMLSA-N 406.477 4.174 0 3 HIAF O=C1Nc2ccccc2N(C(=O)c2c(F)cccc2F)[C@H]1c1nc2ccccc2[nH]1 95605116 PQGKRBZQCNTSRC-IBGZPJMESA-N 404.376 4.181 0 3 HIAF CCN1CCN(c2cc(C)c3cc(NC(=O)Cc4ccc(C)cc4)ccc3n2)CC1 4572058 YHODRBOSFCVOPB-UHFFFAOYSA-N 402.542 4.175 0 1 HIAF COCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCCN1CCCC[C@@H]1C 7991834 ZRONKRFFMUWFCI-SFHVURJKSA-N 422.577 4.125 0 1 HIAF Cc1c(CC[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)cn1-c1ccccc1 26745835 VEWGDVSTEWFLQL-NHCUHLMSSA-N 411.473 4.111 0 1 HIAF CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H](CN1CCCC1)c1cccc(O)c1 28332443 NJNMSBQJBJTUPG-FQEVSTJZSA-N 406.448 4.249 0 1 HIAF O=C1OC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1 64540235 SFYLMRGIENEPLX-UHFFFAOYSA-N 421.476 4.404 0 1 HIAF CC(=O)N[C@@H](CSC/C=C(\C)COc1ccc(Oc2ccccc2)cc1)C(=O)O 72114461 TUVJUVDYTTYDGO-AUFJSOOLSA-N 415.511 4.127 0 1 HIAF COCCn1c(-c2ccc(OC)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184788 FEYCDHGQDXBYLT-UHFFFAOYSA-N 423.904 4.414 0 1 HIAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5)cc34)cn2)CC1 96274072 YDPOUAGEIQPNFW-UHFFFAOYSA-N 401.470 4.124 0 1 HIAF COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccc(N(C)C)cc4)c32)cc1 96940438 PXBJFOOJRIGZTK-UHFFFAOYSA-N 407.495 4.015 0 1 HIAF O=C(O)C1=C(O)[C@@H](c2ccco2)CC(Cc2cc(C(=O)O)c(O)c(-c3ccco3)c2)=C1 101089187 IOBJYZGCWKFCMO-OAHLLOKOSA-N 422.389 4.497 0 1 HIAF O=C(c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)N1CC[C@@H](O)C1 145684606 LXUSSEXNMUCOQU-IEBWSBKVSA-N 422.506 4.209 0 1 HIAF 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](C(=O)O)[C@@H]3C(=O)O 169348206 PXYRCOIAFZBLBN-BYFNQCODSA-N 418.530 4.298 0 1 HIAF CC(C)(COc1ncc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2)cn1)C(=O)O 218549516 CILDFMSLJQQYEO-UHFFFAOYSA-N 406.364 4.042 0 1 HIAF COc1cccc(-c2nc(C(=O)N[C@@H](CC(=O)O)c3ccc(C)cc3)ccc2OC)c1 261185440 XGVKUGMSCLEABF-FQEVSTJZSA-N 420.465 4.020 0 1 HIAF CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccc(Cl)cc2)n1 299822248 IATNUIFNOCYDGZ-UHFFFAOYSA-N 403.939 4.050 0 1 HIAF COC(=O)c1cccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c12 586968931 YOJORIANKLKLBD-UHFFFAOYSA-N 413.890 4.184 0 1 HIAF O=C1CCc2cc3nc(Cc4csc(NC(=O)Nc5ccccc5)n4)[nH]c3cc2N1 587019398 LCYNXVQETLMLRF-UHFFFAOYSA-N 418.482 4.139 0 1 HIAF CCCOc1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br 587094758 UZNOIKQPWXVRHN-MRVPVSSYSA-N 408.218 4.244 0 1 HIAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cccc(F)c2[nH]1 587106984 FLGUBSGIOKECLR-CQSZACIVSA-N 413.396 4.247 0 1 HIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(Br)c(O)c2[nH]1 587107959 FTRIUVNGOWXADO-UHFFFAOYSA-N 401.138 4.415 0 1 HIAF O=C(NCc1nc2cc(F)cc(Br)c2[nH]1)c1cccc(C(F)(F)F)c1 587111002 HTZAOYPQKZMTEZ-UHFFFAOYSA-N 416.172 4.413 0 1 HIAF O=C1C[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150960 WBOVJGMOCREMDC-SNVBAGLBSA-N 424.220 4.259 0 1 HIAF CCc1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 587171376 XUAJTEOUSXPWGG-OAQYLSRUSA-N 409.486 4.332 0 1 HIAF NC(=O)Nc1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587242593 VCSBKFIPLZDPLK-UHFFFAOYSA-N 415.169 4.382 0 1 HIAF C[C@]1(CC(=O)N2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337754 BMUWSIUSCAOIES-LADGPHEKSA-N 411.473 4.442 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCN(C)C)(c1ccc(OC)c(OC)c1)CC2=O 587466638 ARXNSWHNOOZUFI-XMMPIXPASA-N 413.514 4.174 0 1 HIAF CCOC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587521483 IAWCTEILUKEDAF-OAQYLSRUSA-N 410.466 4.222 0 1 HIAF CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)n1 587556977 PPBWQWOUMFHEFU-YJBOKZPZSA-N 404.344 4.330 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1CCCCN1 587590817 AWZCKCILIPQPQE-SLSDLSHTSA-N 401.462 4.391 0 1 HIAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)OC 587597971 STGMXLDPDJOLGY-NZQKXSOJSA-N 420.417 4.280 0 1 HIAF CC(C)Cn1cc([C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587719331 QEBJYEHGQWLJMR-VOJFVSQTSA-N 416.285 4.484 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2OCCO2)(c2cccc(F)c2)N1 587733256 QCHQKLKKBXSHGT-YUNKPMOVSA-N 424.285 4.268 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)c3ccccc32)N1 587820257 AOYWNDWEPVOVEW-STYXZAMGSA-N 404.279 4.328 0 1 HIAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2sc(=O)oc12 587856350 LUOAOEWUYURTSJ-VPTHRUTESA-N 424.291 4.388 0 1 HIAF CC1=COc2c(Cl)cc(Cl)cc2[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962931647 ORNAZCFJLVIZPJ-NRFANRHFSA-N 403.309 4.381 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCN(C)C)cc21 1857598996 WUXZMRFBJMJKPK-UHFFFAOYSA-N 415.537 4.281 0 1 HIAF CN1C(=O)S/C(=C\c2cc(Oc3ccncc3)c(O)cc2Br)C1=O 1857613531 KVPJKWNTWFDKQK-AUWJEWJLSA-N 407.245 4.008 0 1 HIAF C[C@]12CCC(=O)[C@@]3(C)[C@H]1[C@@H](OC2)[C@@H](O)[C@@]1(C)C2=CC[C@H]([C@H]4CCOC4)[C@@]2(C)CC[C@@H]13 2356335487 ARKGGIVBWHHQPU-ZKZUMYFESA-N 414.586 4.157 0 1 HIAF CC(C)C(=O)OCC1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 2356653710 ILGOTJMUMBDLFG-YBAXTEPTSA-N 422.562 4.102 0 1 HIAF C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccncc1 6507804 QIOCFUHAXYXWHH-CQSZACIVSA-N 415.902 4.027 0 3 HIAF COc1cccc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)c1 12072565 ZLAPWAUBLZLKQU-UHFFFAOYSA-N 408.542 4.365 0 3 HIAF Cc1ccc(NCCCn2ccc(NC(=O)OCc3ccccc3)nc2=O)cc1C 61936087 OZXZLNHIJSJRCU-UHFFFAOYSA-N 406.486 4.111 0 3 HIAF O=C(CCCCCN1CCN(c2ccccc2O)CC1)N[C@H]1CCCc2ccccc21 13586570 JYEKEEYIUIJIPG-QHCPKHFHSA-N 421.585 4.268 0 1 HIAF CCCc1nc([C@H](C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13745631 AKBCFEJJFRYVQQ-AWEZNQCLSA-N 408.454 4.001 0 1 HIAF COC(=O)/C=C(/OC)[C@H](C)[C@@H](O)/C=C/c1csc(-c2csc(C(C)C)n2)n1 13916026 BHOYNBJAHBSDKO-DLZOOJRJSA-N 408.545 4.104 0 1 HIAF COc1cccc([C@H]2c3cc4c(cc3O[C@](C)(N3CCCC3)[C@@H]2C)OCO4)c1OC 17175685 QUAKHYXKSRPYCZ-LIAVLPADSA-N 411.498 4.405 0 1 HIAF Nc1sc2c(c1C(=O)c1ccc(F)cc1)CCN(C(=O)OCc1ccccc1)C2 26145084 FDOKFNOHDQGWHZ-UHFFFAOYSA-N 410.470 4.395 0 1 HIAF O=C1NCN(c2cccc(F)c2)C12CCN([C@@H]1Cc3cccc4cccc1c34)CC2 26395943 CAJFOZGSDFEZSJ-JOCHJYFZSA-N 401.485 4.005 0 1 HIAF C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C(C)(C)C)C1 27986806 VOBAOLPIGHOVNW-INTXDZFKSA-N 404.547 4.196 0 1 HIAF O=S(=O)(c1ccc(C(F)(F)F)cc1)n1cc([C@@H]2CCCNC2)c2ccccc21 28527034 IESOOSVTIWWTHP-CQSZACIVSA-N 408.445 4.364 0 1 HIAF COc1ccccc1NC(=O)CSc1nc2cccnc2n1-c1ccccc1OC 39980910 BNMCNPYXAFLBBH-UHFFFAOYSA-N 420.494 4.169 0 1 HIAF CCC[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc21 43020425 XOZSUDLFWVLVDJ-HNNXBMFYSA-N 417.864 4.417 0 1 HIAF COc1ccc2c(Nc3ccc(C(=O)NCCO)cc3)c3c(Cl)coc3nc2c1 72107866 ZPJSOSKXJIQRAF-UHFFFAOYSA-N 411.845 4.109 0 1 HIAF CC(C)N(C)CCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181633 SWVNKLSFKSGRMX-OAHLLOKOSA-N 423.401 4.236 0 1 HIAF O=C(Nc1ccncc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 84652541 DJMRKPUZZUDMFC-UHFFFAOYSA-N 401.514 4.090 0 1 HIAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C(F)(F)F 261127408 KMJHJQFJPSDYJD-SAABIXHNSA-N 424.507 4.428 0 1 HIAF CC(C)(C)OC(=O)N1CCc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O 586988636 UHOKTTDOGAICPB-UHFFFAOYSA-N 416.477 4.488 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3nc(Cl)c[nH]c-3n1)N2 587031140 LURIJQKMZUEBPA-SMSHQHMSSA-N 406.924 4.085 0 1 HIAF C[C@@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649490 VVYXIOHNDPFTNM-SNVBAGLBSA-N 422.300 4.189 0 1 HIAF CCOC(=O)c1c(-c2ccccc2Br)[nH]c2ccc(S(C)(=O)=O)cc12 587649707 XQFCKLKMFCYSFH-UHFFFAOYSA-N 422.300 4.178 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2ccnc2)(c2ccc(F)cc2)N1 587729770 DJMNICNATCMTEW-RNODOKPDSA-N 418.285 4.402 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccn3)C[C@H]2C)N1 587761104 OLLZUODCBCZVFV-PZPWOCDFSA-N 418.354 4.255 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)s2)([C@@H](C)O)N1 587847305 KGMHRIZGWOEDKE-ABFUHYCJSA-N 404.732 4.462 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3cnn(C)c3)cs2)N1 587852598 HOJSDMFAWVWAKN-ABKXIKBNSA-N 407.312 4.069 0 1 HIAF CCOc1oc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)nc1C 587863871 CLLKPBAQOVJWIZ-UHFFFAOYSA-N 409.364 4.351 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1ccc2ccccc21 587868957 YGJLRJYPSXWRAE-UHFFFAOYSA-N 400.360 4.268 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 962951696 OUKFYTCUFZUHKJ-IZHWHUGBSA-N 400.482 4.343 0 1 HIAF Cc1oc2ccc(O)cc2c1[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972420 UUBWPDGWBQWLNI-VLIAUNLRSA-N 407.800 4.241 0 1 HIAF Clc1cc(Cl)c2c(c1)[C@@H](c1sc(N3CCOCC3)nc1Cl)NCC2 963115158 ZNUQQAYRNGDFPL-ZDUSSCGKSA-N 404.750 4.175 0 1 HIAF CCCN1C=C(C(=O)O)[C@@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2cc(F)ccc21 963115179 USQGXACZFGVGOA-MHECFPHRSA-N 410.464 4.427 0 1 HIAF COC(=O)c1cc([C@]2(CC(C)C)c3cccc(Br)c3CCN2C)c[nH]1 963279299 GJSLVIAINQFVDM-HXUWFJFHSA-N 405.336 4.341 0 1 HIAF CCc1nn(Cc2ccc(-c3nc4cc(OC)ccc4[nH]3)cc2)c(CC)c1CC(=O)O 1772618933 OLEGLKRZWQNQHX-UHFFFAOYSA-N 418.497 4.235 0 1 HIAF O=S(=O)(c1ccc2cccnc2c1)n1cc(C2=CCNCC2)c2ccc(Cl)cc21 1857594532 IJFFBHZXPSWFKO-UHFFFAOYSA-N 423.925 4.457 0 1 HIAF Nc1ncnc2c1c(-c1ccc(Br)c(O)c1)nn2[C@H]1CCc2ccccc21 1857638924 ARUHNGYBTHMQAU-HNNXBMFYSA-N 422.286 4.079 0 1 HIAF Cc1ccc(CNC[C@@H]2O[C@@H](Cc3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)cc1 2356287583 LYJMYMOWQAIVCN-GPXNEJASSA-N 410.489 4.030 0 1 HIAF Cc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3C)c3c4ccccc4n(C)c3c2=O)cc1 4920353 MIDKAESCZVNCPV-KRWDZBQOSA-N 414.509 4.200 0 1 HIAF NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2c[nH]c3c(F)cccc23)CC1 26496748 PNTQCYZWFHYKJG-HSZRJFAPSA-N 419.500 4.199 0 1 HIAF COc1cccc(Nc2nc(-c3cccnc3Oc3cc(OC)cc(OC)c3)n[nH]2)c1 28530276 NKNUEBKXJIQFBJ-UHFFFAOYSA-N 419.441 4.428 0 1 HIAF O=c1[nH]c(C2=C[C@@H](N3CCN(c4ccc(F)cc4)CC3)CC2)nc2c(Cl)cccc12 28954780 GPGHAEZSQYYSDX-SFHVURJKSA-N 424.907 4.084 0 1 HIAF CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccco2)C(C)(C)C)c1O 40380349 PSPSMPJFVZTXSD-INIZCTEOSA-N 415.519 4.481 0 1 HIAF COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](CC(C)C)NC2(C)C)c2ncccc2c1 43061870 VSVHYNLJRIQUHK-DYESRHJHSA-N 412.578 4.407 0 1 HIAF O=C(NC1CC1)c1ccc(N2CCC[C@@H](COc3ccc4c(c3)CCCC4)C2)nc1 45226881 SSVMYGXBIBTBNI-GOSISDBHSA-N 405.542 4.148 0 1 HIAF COc1ccc2c(c1)c([C@H]1CCN(C)C1)cn2S(=O)(=O)c1ccc(C(C)C)cc1 72176899 DZEPEZKWVZRFSQ-SFHVURJKSA-N 412.555 4.429 0 1 HIAF C=CC1=C(C(=O)N2CCN(c3cccc(C)c3C)CC2)[C@H](c2ccc(OC)cc2)OC1 73218988 ZVUKCYZTFUIGFL-VWLOTQADSA-N 418.537 4.215 0 1 HIAF CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCCN1C(=O)C(=O)c1ccccc1 95596825 MEEFSFZBJCJBOJ-PKTZIBPZSA-N 420.553 4.168 0 1 HIAF COc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)c1OC 101095156 VGOAURMKLDUSEO-PMACEKPBSA-N 412.505 4.158 0 1 HIAF c1cc2c3cnc(Nc4ccc(N5CCNCC5)cc4)nc3n(C3CCCC3)c2cn1 117687760 AKXCIKNLMOJVRG-UHFFFAOYSA-N 413.529 4.248 0 1 HIAF OCCN1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 137318577 HWIHAMKZTYYAKI-UPHRSURJSA-N 402.498 4.020 0 1 HIAF CC(=O)O[C@@H]1O[C@H](OC(C)=O)[C@@H]2[C@H]1[C@H](O)C[C@H]1[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]12C 140356724 YHQPTXXDIPLCDA-DYKGXOPASA-N 422.562 4.041 0 1 HIAF [C-]#[N+]c1ccc(N2C(=O)C3(CCC3)N(c3cc(C)n[nH]3)C2=S)cc1C(F)(F)F 167536020 AMUJXYIKEPQYOP-UHFFFAOYSA-N 405.405 4.349 0 1 HIAF O=S(=O)(Nc1ncccn1)c1cc(Cl)c(Oc2ccc(F)c(F)c2)cc1F 473201084 VLYDJWVAIYVGFY-UHFFFAOYSA-N 415.780 4.140 0 1 HIAF O=C(O)c1cccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 587054827 IHOXDEHXOGLFCB-UHFFFAOYSA-N 414.248 4.445 0 1 HIAF O=C1C[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587150343 SKFPIKNESCHDQO-SNVBAGLBSA-N 424.220 4.259 0 1 HIAF CC(C)(C)OC(=O)NC1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCC(O)CC1 587237228 NABUOZDKBYENHE-UHFFFAOYSA-N 417.403 4.376 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cnn[nH]2)[C@H]1c1ccc(F)cc1 587332870 KFZRJVAWNJLYLI-GMAHTHKFSA-N 419.387 4.091 0 1 HIAF CCOC(=O)C1CCN(c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)CC1 587397310 ZPUJTRXXHYJLLQ-JOCHJYFZSA-N 408.498 4.063 0 1 HIAF O=C(COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)NCC1CC1 587508806 BXKIBJXFEAKULT-QHCPKHFHSA-N 405.494 4.177 0 1 HIAF COc1nc(N2CCCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584746 AVSRUFWAAPIJRP-NFBKMPQASA-N 418.449 4.099 0 1 HIAF CCOc1nc2sccn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619074 QOOUEVVMTDHSSO-BEFAXECRSA-N 408.435 4.203 0 1 HIAF O=C(CCOc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655817 FWKFWXGEHAWGMU-UHFFFAOYSA-N 406.388 4.451 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(c3ccccc3)C(=O)C2)N1 587769767 QDHGHRORWQUQNY-ZUOKHONESA-N 403.295 4.145 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3sc(N)nc32)N1 587858658 SLEMWICQOCHWRC-NIVTXAMTSA-N 410.356 4.377 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc[nH]2)[nH]n1 587866253 HLXISOXVDFGVSI-UHFFFAOYSA-N 415.375 4.374 0 1 HIAF CN(c1ccc(-c2csc(-c3ccc(C(F)(F)F)nc3)n2)cc1)S(C)(=O)=O 587923042 LAWPDINTQIGMIB-UHFFFAOYSA-N 413.446 4.287 0 1 HIAF CC(C)(C)OC(=O)NC[C@@H]1Cc2c3cccc2[C@@]2(C=COC(C(F)(F)F)=C2)N1C3 962645929 YVHGQWRNDPSZJZ-XOBRGWDASA-N 408.420 4.137 0 1 HIAF O=C(C[C@@]1(c2cccc3ccccc23)N[C@H](C(=O)O)Cc2cccc(F)c21)C(F)F 962907093 SKVUZFWIXSNZPM-MBSDFSHPSA-N 413.395 4.046 0 1 HIAF CN1CCc2c(Br)cccc2[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]12 963270718 QXBZFBVHCFFLKO-PSGMQZRDSA-N 407.352 4.019 0 1 HIAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)C1CCCC1 1772648163 PZPPUJKMJLOJCE-UHFFFAOYSA-N 411.590 4.476 0 1 HIAF COCCNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772657479 XQDMUWLLTSINIU-ZRDIBKRKSA-N 413.481 4.248 0 1 HIAF CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1857586252 ROEQQHYJWFWBCS-UHFFFAOYSA-N 415.921 4.071 0 1 HIAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2ccc(F)c(Cl)c2)nc2ccc(C)cn12 1857602992 NMFNKCDXPULVGM-GFCCVEGCSA-N 402.857 4.216 0 1 HIAF COc1cccc2nc(C[C@@H]3CN(CCCc4ccccc4)CC[C@H]3CC(=O)O)[nH]c12 2356305785 FXQJUZAUWDXPNH-VQTJNVASSA-N 421.541 4.160 0 1 HIAF CC[C@H](C)C[C@](C)(O)C[C@H](CO)C[C@H](C)C=C(C)C=C(C[C@H](C)C(=O)O)C(=O)O 2356440068 MBFFSCGMVQIKKY-GDGSROGVSA-N 412.567 4.267 0 1 HIAF O=C1c2cc(Cl)ccc2OC2(CCNCC2)[C@@]12CC(c1ccc(Cl)cc1)=NO2 13660569 ADGXGVQHJYUDJL-OAQYLSRUSA-N 417.292 4.254 0 3 HIAF CCOC(=O)c1sc2nc(CC(=O)OC)nc(Nc3cccc(Cl)c3)c2c1C 2912199 WYDWMSFYVDYLSE-UHFFFAOYSA-N 419.890 4.289 0 1 HIAF O=C(O)COc1c(C(=O)O)sc(-c2ccc3ccccc3c2)c1Br 14955086 AYGTVJDTXDUTDT-UHFFFAOYSA-N 407.241 4.492 0 1 HIAF O=C1NCN(c2ccccc2F)C12CCN([C@@H]1Cc3cccc4cccc1c34)CC2 26398319 TYKQGBBMCQQQOM-JOCHJYFZSA-N 401.485 4.005 0 1 HIAF COc1cccc(N(C)CC(=O)N2CCC[C@H](c3ccccc3)[C@@H]2CN2CCCC2)c1 29043661 CRWQTOUUPSCJOR-RPBOFIJWSA-N 421.585 4.002 0 1 HIAF O=S(=O)(c1ccc(F)cc1)N1CCC(F)(CCc2ccc(F)cc2F)CC1 36270443 XCIVCTUFQJGLTK-UHFFFAOYSA-N 401.425 4.230 0 1 HIAF COc1cc([C@@H](NC(=O)C(F)(F)F)c2cc3ccccc3o2)cc(OC)c1OC 36381742 MPDATKWVUFHEPI-QGZVFWFLSA-N 409.360 4.227 0 1 HIAF CCC[C@@H](CC1(C(=O)N(C)c2ccc(=O)n(Cc3ccccc3)c2)CCCC1)C(=O)O 40565522 JUANZNOPGNGJMD-FQEVSTJZSA-N 424.541 4.311 0 1 HIAF O=C(CN1CCSCC1)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 49072287 BGLRVAAZQATFSF-UHFFFAOYSA-N 420.460 4.236 0 1 HIAF CCOc1ccc(-c2nc(CN(C)Cc3cc(OC)c(OC)c(OC)c3)co2)cc1 72102281 GGWZNZLWXPDAMV-UHFFFAOYSA-N 412.486 4.398 0 1 HIAF CCCC[C@H](CC)CNc1nc(N2CCN(C)CC2)nc2cc(OC)c(OC)cc12 82127471 GYCLEVSDAGLGKW-KRWDZBQOSA-N 415.582 4.027 0 1 HIAF Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)NC(C)C)CCCCN4[C@H]3CO)cc2)c1 95875566 AJFGPRMGCHYGQR-DSITVLBTSA-N 421.585 4.005 0 1 HIAF CCN(C(C)=O)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 142929245 WPZDRSADWBNUIC-KRWDZBQOSA-N 402.498 4.316 0 1 HIAF COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc(C)cc3)[C@@H]21 169304114 MNOFHPHFRQOWGZ-JOCHJYFZSA-N 400.434 4.332 0 1 HIAF O=S(=O)(Cc1ccccc1)N1CCc2ccccc2[C@H]1c1n[nH]c2ccccc12 299861704 LWCRLADHWUSCBR-QHCPKHFHSA-N 403.507 4.040 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)ncc2[nH]1 586937073 QBKFQJNSSXNVFI-CYBMUJFWSA-N 424.979 4.001 0 1 HIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586964254 WBNMOIQROONWPA-LLVKDONJSA-N 423.292 4.071 0 1 HIAF COc1cccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 587006100 HGBNWKHEUJNBCM-UHFFFAOYSA-N 410.271 4.211 0 1 HIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Br)cnc2[nH]1 587258220 BEKPYTNIURPFRR-INIZCTEOSA-N 424.302 4.292 0 1 HIAF COc1ccc2c(c1N)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339554 UMYUCRLUKPBJLL-QPPBQGQZSA-N 405.425 4.323 0 1 HIAF O=C1C[C@H](c2c(Br)cnc3c2OCCO3)Oc2c1ccc1c2CCCC1 587500305 WBRZLIIVTWBBIP-MRXNPFEDSA-N 416.271 4.201 0 1 HIAF CC(C)(C)OC(=O)N1CC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591664 GBSAVZMMZHUORL-GOSISDBHSA-N 423.465 4.124 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587729184 CETUQCGEHWBIMP-WYRIXSBYSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](N=O)C(=O)Nc2ccccc2)N1 587744827 TXFIFAFCSNKJQF-XTDINYQCSA-N 420.282 4.111 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(c3ccccc3)C(=O)C2)N1 587771805 XTXJNESQJZSNKT-ZUOKHONESA-N 403.295 4.145 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(N)=S)cc2)N1 587842140 DDKXWSIOQGIKOF-YPMLDQLKSA-N 408.340 4.041 0 1 HIAF COc1ccc(Cl)c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 587860781 CKIUWQMYGNQVDU-UHFFFAOYSA-N 411.767 4.323 0 1 HIAF CC(C)Oc1cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2cc1Br 587962106 RNQCODVUTLWQLS-UHFFFAOYSA-N 403.276 4.331 0 1 HIAF O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC[C@H]1c1ccncc1 621477713 IXLIURHWCAZUDQ-IBGZPJMESA-N 418.463 4.466 0 1 HIAF CCCNS(=O)(=O)c1ccc([C@]2(C)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962942635 FZISXGXEZGTZRZ-SBUREZEXSA-N 411.571 4.044 0 1 HIAF O=C1Cc2ccccc2CN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857754453 QXADTGVROHTMSZ-IBGZPJMESA-N 406.432 4.019 0 1 HIAF FC(F)(F)c1ccc2c(c1)nc1n2[C@H](CNCc2c[nH]c3ccccc23)COC1 2356299281 DOVXAZHRQOZSHY-OAHLLOKOSA-N 400.404 4.398 0 1 HIAF CC(=CC=C1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@@H]2O[C@H](O)[C@]3(C)CCC[C@]1(C)[C@@H]23 2356462739 CHBIIBKSFYKBAE-FHRNHFCISA-N 416.558 4.401 0 1 HIAF Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4Br)C3)n2)o1 1364742 ZDKXDPKUGQLKDU-ZDUSSCGKSA-N 416.275 4.420 0 3 HIAF C[C@H](c1ccon1)N(C)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 11843948 JBQXCOVWKGUGDV-CQSZACIVSA-N 414.893 4.333 0 3 HIAF CCCCCN1C(=O)c2ccccc2[C@@]2(C(=O)OCC)Cc3cc(OC)ccc3[C@@H]12 95568190 JOBAMDLRCCZKTP-RDGATRHJSA-N 407.510 4.440 0 3 HIAF Ic1ccc([C@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 2916577 YLHYSSXVAKCIGQ-CHWSQXEVSA-N 408.268 4.091 0 1 HIAF C[C@H](O)[C@H](C)C(=O)c1c(O)c2c(c3c1OC(=O)C[C@@H]3c1ccccc1)OC(C)(C)C=C2 13382713 LPOJHKDMSLEMHR-GRDNDAEWSA-N 422.477 4.217 0 1 HIAF biogenic C=CCc1ccc2c(c1)[C@@]1(O)C(=O)C[C@@H](O2)[C@]2(CC=C)c3cc(CC=C)ccc3O[C@@H]12 15212889 WKBOOTDLPUYYAB-JVYGEBFASA-N 414.501 4.340 0 1 HIAF biogenic CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1c(C)cc(C(=O)O)cc1C 27868757 GUDXEFHGVHYFLV-JOCHJYFZSA-N 424.497 4.265 0 1 HIAF CN(C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)C1 28123200 HLIYKYSYTAZOKU-HXUWFJFHSA-N 411.505 4.291 0 1 HIAF O[C@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCCc1ccc(F)cc1 28457109 DTTQTDUZOHHUFF-SDHOMARFSA-N 405.513 4.308 0 1 HIAF C[C@H]1CN(S(=O)(=O)c2cccc3ccccc23)C[C@@H](C)N1C(=O)C1CCCCC1 40834717 CGDKNZWDQQQYIK-HDICACEKSA-N 414.571 4.030 0 1 HIAF CN1CCN(CCc2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1 42889926 FCSDOKSBLODMRB-UHFFFAOYSA-N 421.545 4.054 0 1 HIAF O=C(CONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1 45335450 CUKRXEVBRUFUQC-UHFFFAOYSA-N 406.282 4.024 0 1 HIAF Fc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCN2CCCCC2)cc1 82185533 UJWPUZFGPBZHSK-UHFFFAOYSA-N 420.492 4.323 0 1 HIAF NC(=O)O[C@H](CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 95576807 BCWLVXCXXSHWSK-LJQANCHMSA-N 407.436 4.054 0 1 HIAF CNC(=O)c1cc(Oc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)ccn1 96272357 DRRLHDVXGXINDY-UHFFFAOYSA-N 420.513 4.324 0 1 HIAF COc1cccc(-c2nccnc2C2CN(c3nc4ccc(OC)cc4s3)C2)c1 143626576 RMEWCKJVASIEGL-UHFFFAOYSA-N 404.495 4.374 0 1 HIAF C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 169709807 PNTNOMSGFVLOES-GAJHUEQPSA-N 421.541 4.115 0 1 HIAF COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc4n[nH]cc4c3)c1NC2 169719667 YCQRSINHWRNVNB-UHFFFAOYSA-N 420.498 4.499 0 1 HIAF O=C(NCc1c(Cl)cc(Cl)cc1Br)[C@H]1COc2ncsc21 220865741 CGEAJBGDXXBCAJ-QMMMGPOBSA-N 408.104 4.005 0 1 HIAF Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)=N2 261072235 AICWUJIMNGABQW-SHTZXODSSA-N 408.502 4.408 0 1 HIAF CN1C(=O)[C@@H](c2c(Cl)cccc2Cl)Cc2c(N)nc(Nc3ccccc3)nc21 299822433 AHGSDSGHEDXXDI-GFCCVEGCSA-N 414.296 4.412 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(CSc4cccc[n+]4[O-])[nH]c3c2)cc1 586969535 LZJPBNKDCQDDBD-UHFFFAOYSA-N 407.451 4.068 0 1 HIAF CCOc1cc(/C=C\c2nc3cccc(C(N)=O)c3[nH]2)cc(Br)c1OC 586976936 CWKQKSFIGXHDOH-FPLPWBNLSA-N 416.275 4.002 0 1 HIAF CCOc1cc(/C=C/c2nc3ccc(CCO)cc3[nH]2)cc(Br)c1OC 586978342 OZGDDUQWASHXGA-FNORWQNLSA-N 417.303 4.438 0 1 HIAF CC(C)COc1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br 587094310 PFUMMFBLSKAEMQ-SECBINFHSA-N 422.245 4.490 0 1 HIAF Cc1cncc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 587130991 UUKBTISRDBYJSW-UHFFFAOYSA-N 406.396 4.483 0 1 HIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc(I)c3[nH]2)cn1 587247148 HYVCHIILCDUCRZ-UHFFFAOYSA-N 420.254 4.214 0 1 HIAF Nc1cc(C(=O)O)ccc1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587249870 OQLNPKHQYXIAAT-UHFFFAOYSA-N 414.181 4.215 0 1 HIAF Nc1cccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587334701 KDZNNDZFBYBRQB-ISKFKSNPSA-N 421.424 4.233 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587377937 QLHCXWWXTXUKAA-HXUWFJFHSA-N 418.287 4.154 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O 587416959 GWOLGDZIWTUOID-GTNSWQLSSA-N 414.672 4.239 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)c4cccnc4)c1)[C@@H](C2)C3=O 587431559 HHHVFVMJSUJHDF-CYFREDJKSA-N 400.434 4.005 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(Cc1ccc(F)c(F)c1)CC2=O 587465081 AIFRUYPTTDRSTA-QFIPXVFZSA-N 404.409 4.133 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)N3CCCC3)cc1)CC2=O 587476627 VZURDBAUGGCOJW-VWLOTQADSA-N 423.509 4.227 0 1 HIAF Cc1cccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587655611 AXQFOQNBOBKMND-UHFFFAOYSA-N 406.388 4.369 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)nc2)N1 587685090 SCPILBYIVGVLPQ-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF CCOC(=O)[C@H](c1cccnc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587778861 OLAKAQSEUFSCNM-CCMJGWDWSA-N 421.310 4.080 0 1 HIAF COCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587794655 PCASPUVDCIUUEP-ODXCJYRJSA-N 424.310 4.246 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)sc3c2CCN(C)C3)N1 587853834 OFWGYARAHXHACD-APBUJDDRSA-N 424.383 4.018 0 1 HIAF CC(C)N1CCc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2C1 587856920 JQVNTYGVMYTCGV-BBATYDOGSA-N 424.383 4.435 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@H]3c3ncccn3)nc(Cl)c2C)s1 653808431 QQBPTGOPJQLVTM-ZIAGYGMSSA-N 416.938 4.096 0 1 HIAF CCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1Cl 653825412 PNFYVXZYMCGFNW-UHFFFAOYSA-N 400.891 4.286 0 1 HIAF COc1cc(OC)c([C@]2(C)c3ccsc3CCN2Cc2cccn2C)c(OC)c1 962372820 JXNIQTJSUWJGCP-QHCPKHFHSA-N 412.555 4.434 0 1 HIAF COC(=O)c1ccccc1-n1cccc1[C@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962617819 CFJGJIVBKCLTCZ-MWTRTKDXSA-N 420.509 4.247 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)c2cccc(F)c2CCN1[C@H]1CCSC1 962723078 ZWLLDIFVMXQQLD-GAJHUEQPSA-N 412.530 4.174 0 1 HIAF Cc1ccnc([C@]2(c3cc(C)ccc3C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963221855 FWCMEKUWAFGCSB-SHQCIBLASA-N 423.516 4.446 0 1 HIAF CCCCc1cc2c(=O)c(C(=O)N(C)C)c[nH]c2cc1OCCOc1ccccc1 1857616636 WHZRFZYNEXWXDJ-UHFFFAOYSA-N 408.498 4.030 0 1 HIAF C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4OC[C@@]5(CC[C@@H](O)C=C45)[C@H]3CC[C@@]21C 1857759241 LPJGOUVOPNCPAW-WJSKBJFBSA-N 415.618 4.420 0 1 HIAF C[C@H](Oc1cc(-c2cnn([C@@H]3CCOC3)c2)cnc1N)c1cc(F)ccc1Cl 1911573003 MASVJIOKTQWYRN-BLLLJJGKSA-N 402.857 4.421 0 1 HIAF COCCCN(C(=O)c1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1 4186928 PRBDFWUIQWEQOO-UHFFFAOYSA-N 402.472 4.104 0 3 HIAF COc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)Nc2ccccn2)cc1OC 5447936 HTFARMVVZBJVOY-UHFFFAOYSA-N 417.421 4.153 0 3 HIAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215811 FQJHQCITQOZRFI-VHHKXPHXSA-N 404.551 4.232 0 1 HIAF COC(=O)[C@@H](CCc1ccccc1)c1ccc2c(c1O)C(=O)c1c(O)cccc1C2 13606187 GCIKYXOLEUHQLT-IBGZPJMESA-N 402.446 4.122 0 1 HIAF Cc1noc(NS(=O)(=O)c2sccc2Cc2ccccc2)c1Br 26638939 XTLWXRWZKDAMBY-UHFFFAOYSA-N 413.318 4.199 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1cccc(CCC[C@@H]2OC(=O)NC2=O)c1 29326243 QOPXLIOUYCVYKP-FQEVSTJZSA-N 406.438 4.187 0 1 HIAF CC[C@H]1C[C@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 40380295 WBUZWMNIWAQICA-OLZOCXBDSA-N 408.593 4.438 0 1 HIAF CCCCc1ccc(CN(c2ccccc2CCCC(=O)O)S(C)(=O)=O)cc1 43070903 LMZPOLLSKTVDFU-UHFFFAOYSA-N 403.544 4.403 0 1 HIAF C[C@@H](C[C@@H]1CC[C@H]([C@@H](C)Cn2cc(-c3ccccn3)nn2)O1)OC(=O)c1ccccc1 64527560 JMQXMAWLGSWGBC-BNUXRISVSA-N 420.513 4.159 0 1 HIAF C[C@@H]1C(=O)[C@@H](C)[C@@H](c2cccc(F)c2)N(C(=O)Cn2ccnc2)[C@@H]1c1cccc(F)c1 71296261 RPBVLVICPNKVAG-ZMMDUFCOSA-N 423.463 4.327 0 1 HIAF Nc1ncccc1-c1nc2cccnc2n1-c1ccc(NC(=O)c2ccccc2)cc1 95574615 STYFGBVKSGWGAE-UHFFFAOYSA-N 406.449 4.317 0 1 HIAF COc1ccccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(SC)cc1 96176957 HSVWUSCRFDJAKR-HXUWFJFHSA-N 423.538 4.160 0 1 HIAF CC(=O)N1[C@H](C(=O)Nc2ncc(-c3ccc(N)cc3)s2)CC[C@@H]1c1ccccc1 96907377 CJQUPESWNTXRJX-MOPGFXCFSA-N 406.511 4.083 0 1 HIAF COc1cc([C@H]2CC(c3ccc(Cl)cc3Cl)=NN2C(C)=O)cc2nc(N)oc12 96934808 BUQWAEDDCJYTLE-MRXNPFEDSA-N 419.268 4.423 0 1 HIAF CCOc1ccc(/C=C/C(O)=C2\C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)cc1OC 102603055 KVAQMYGBORMBRI-BBSNRQPISA-N 407.466 4.332 0 1 HIAF CC[C@H](C)C(=O)O[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 105489417 PCZOHLXUXFIOCF-FAUWYBKGSA-N 404.547 4.196 0 1 HIAF COc1ccc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)nc1 116825109 HMKUPSOTYRPXCT-CALCHBBNSA-N 405.523 4.027 0 1 HIAF COc1ccc(OC)c(-c2ccc3cc(C(=O)N4CCC[C@@H](CO)C4)ccc3c2)c1 169304483 UDGGGHNYBILHNB-QGZVFWFLSA-N 405.494 4.369 0 1 HIAF NC(=O)c1cc(-c2ncnc3[nH]ccc23)cn1-c1cc(C(F)(F)F)ccc1Cl 208354910 LSPIMHPSWRNVOM-UHFFFAOYSA-N 405.767 4.187 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586985290 BSQUTXRPMXEJLI-NSHDSACASA-N 409.388 4.065 0 1 HIAF CCC1=C(C)N[C@@H]2c3nc4c(C)ccc5c4c(c3CCN2C1=O)-c1ccccc1C5=O 587096621 MBJCXBYEPVTKIS-VWLOTQADSA-N 409.489 4.425 0 1 HIAF Fc1cc2[nH]c(-c3cncc(I)c3)nc2cc1C(F)(F)F 587184023 AMRKRPBYFCJWPI-UHFFFAOYSA-N 407.108 4.387 0 1 HIAF O=C(O)Cc1c(CC(=O)c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587206368 JCSIOFIPVYTDMN-UHFFFAOYSA-N 407.425 4.499 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc4c(Br)ccc(O)c4n1)[C@@H](C2)C3=O 587418300 TZPQDGPFSDORLL-YUNKPMOVSA-N 412.239 4.200 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1c(F)cc(C(=O)OC(C)(C)C)cc1F)[C@@H](C2)C3=O 587424706 SPROBPJTFNERHF-RNODOKPDSA-N 402.393 4.417 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)cc(Br)cc12 587502091 BOOVJOOMVFFKHF-FQEVSTJZSA-N 416.246 4.280 0 1 HIAF COC(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550280 WJPPCGOUMULXHC-OFNKIYASSA-N 424.836 4.466 0 1 HIAF Cc1cccc2c1[nH]c1nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nnc12 587660682 JBIIGHSEYQARPT-UHFFFAOYSA-N 422.423 4.320 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3ccccc3)nn2)N1 587762197 XLTPEXZDGFAOBT-RNODOKPDSA-N 415.310 4.026 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)c3ccccc3)C2)N1 587767231 JFXBEQURSNMKAN-SZNDQCEHSA-N 417.322 4.254 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCC(=O)N3C)N1 587776706 YGKORXXBVDZXED-GIPWTMENSA-N 403.295 4.121 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCC(=O)O)N1 587794075 NUSSHECYQXACAY-NSPYISDASA-N 408.267 4.065 0 1 HIAF COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O 587808438 QCSCVPAQLHTTAB-GIPWTMENSA-N 422.294 4.320 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)c3ccccc32)N1 587826332 KLTGJDIODVJAMY-QRVQBPJGSA-N 404.279 4.328 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CC)n1cc(Br)cn1 587869212 CPCPVEKYZLQRSP-INIZCTEOSA-N 421.270 4.338 0 1 HIAF COc1cc2c(cc1[C@H]1c3ccsc3CCN1Cc1cccn1C)OCCCO2 962400960 USQLFSTVLPGJDZ-HSZRJFAPSA-N 410.539 4.404 0 1 HIAF COc1cc2c(cc1OC)[C@H](c1cc(Br)cc3c1OCC3)N(C)[C@H](C)C2 962621864 ITDJKTAHGOWFDE-MPBGBICISA-N 418.331 4.367 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1C 962694587 DQBGQZAKGNAPNR-VFNWGFHPSA-N 402.535 4.400 0 1 HIAF Cc1ccccc1-n1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962699505 ORQLNWDPDKPHPG-IEBWSBKVSA-N 419.378 4.027 0 1 HIAF CC(C)(c1ccccc1)c1nc2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1 1772593602 UJHUWUXYDBLDRI-GOSISDBHSA-N 417.557 4.123 0 1 HIAF COC(=O)c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1cc(F)cc(Cl)c1 1857636069 ULVZBOBNBSKIMC-UHFFFAOYSA-N 412.744 4.352 0 1 HIAF Cc1cccnc1CN1C[C@H](F)[C@@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 2356299183 ARKCTNYFGHCAEF-KSSFIOAISA-N 408.399 4.024 0 1 HIAF CC(=Cc1csc(C)n1)[C@@H]1CC=CCCC[C@H](C)C(=O)[C@H](C)[C@H](O)CC(=O)O1 2356512594 YQYQTGREIHNPDS-NBPAUJCUSA-N 405.560 4.489 0 1 HIAF COc1cc([C@@H]2Oc3c(OC)c(Cl)c4ccc(=O)oc4c3O[C@H]2C)ccc1O 13400386 YAFMPQNTPUSIBR-XXFAHNHDSA-N 404.802 4.070 0 1 HIAF biogenic COc1cc2ncnc(N3CC[C@@H](Oc4cccc5ccccc45)C3)c2cc1OC 14956481 PLHMFMNGOAPGBB-QGZVFWFLSA-N 401.466 4.458 0 1 HIAF CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](CO)C(C)C 27089011 HPTAADQDGJWIRO-JOCHJYFZSA-N 421.545 4.069 0 1 HIAF O=C(O)[C@@H]1CCCN(CCOCC[C@H](c2ccc(F)cc2)c2cccc(F)c2)C1 27429855 GYOBVULPMYVHAJ-DENIHFKCSA-N 403.469 4.300 0 1 HIAF CCCc1cc(-c2ccccc2)cc(CCC)[n+]1CCc1ccc(S(N)(=O)=O)cc1 27979271 IFASXXMEISTNDT-UHFFFAOYSA-N 423.602 4.436 0 1 HIAF O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)[C@@H](c1ccccc1)C1CCCC1 28818651 QEGICHPTRBTPPO-VWLOTQADSA-N 419.569 4.095 0 1 HIAF COC(=O)C[C@H]1c2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c2N1C)OCO4 73196125 UKDTULYYEZMCBZ-INIZCTEOSA-N 405.406 4.018 0 1 HIAF biogenic Cc1ccccc1CNc1ncnc2c1nc(-c1ccoc1)n2CC[C@@H]1CCCN1C 82180246 AYEAUTMSXBPRLC-FQEVSTJZSA-N 416.529 4.491 0 1 HIAF COc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 95589477 MRIYQDALPQSCHI-IUODEOHRSA-N 419.510 4.362 0 1 HIAF O=C(c1nc2ccccc2s1)N1CCC(Oc2ncccc2C2CCOCC2)CC1 96168911 RPQSZWNPWDZWPS-UHFFFAOYSA-N 423.538 4.269 0 1 HIAF Nc1scc(CN2CCN3c4ccccc4C[C@@H]3C2)c1C(=O)c1ccc(Cl)cc1 96914663 MRQZDERCAANJEF-LJQANCHMSA-N 423.969 4.462 0 1 HIAF O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)Cc2ccccc2)CCCN1 103204989 NZTMPMAWIYHBHD-OAQYLSRUSA-N 408.608 4.286 0 1 HIAF Cc1cnc(F)c(-c2nccc3cc(S(=O)(=O)Nc4nccs4)ccc23)c1 215515699 DRWVOPJURDUZJA-UHFFFAOYSA-N 400.460 4.002 0 1 HIAF c1ccc(-c2csc3nc(N4CC[C@@H](COCCN5CCCC5)C4)ncc23)cc1 223004099 CZNNDLSLLFHWNB-GOSISDBHSA-N 408.571 4.297 0 1 HIAF Fc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cn2)cn1 473153919 DAGRWNTXGRKKBH-UHFFFAOYSA-N 422.441 4.396 0 1 HIAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc([C@@H](N)N=O)cc4[nH]3)ccc12 586918261 KVQOHKMSFCCGDI-QFIPXVFZSA-N 406.442 4.315 0 1 HIAF COc1cccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 586954631 LUEFTJTUPWYYND-UHFFFAOYSA-N 421.522 4.293 0 1 HIAF CCS(=O)(=O)c1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c1 586976867 HWVFMCGWIRQOHO-WEVVVXLNSA-N 421.316 4.298 0 1 HIAF Clc1ccc(-n2cc(-c3nc4ccc(I)cc4[nH]3)nn2)cc1 587075995 NNWDPZMBDDWRRH-UHFFFAOYSA-N 421.629 4.069 0 1 HIAF O=C1c2ccccc2-c2cc(CCN3C(=O)c4ccccc4C3=O)nc3cccc1c23 587105137 PTJIONDYCJVRCR-UHFFFAOYSA-N 404.425 4.285 0 1 HIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587147304 KOGDTNDAEFBWEE-UHFFFAOYSA-N 418.384 4.325 0 1 HIAF COc1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 587230298 CYSXLUSRRYLNOE-UHFFFAOYSA-N 402.454 4.461 0 1 HIAF O=C(c1c(F)cccc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 587275454 AZKVRQNGZQJAQS-UHFFFAOYSA-N 418.140 4.472 0 1 HIAF C[C@]1(c2cccc(OCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345772 GPFILCKGNRQCHV-ISKFKSNPSA-N 422.408 4.269 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c4c(c1)OCCCO4)[C@@H](C2)C3=O 587418696 UZKFMLFRMWUZDG-DJJJIMSYSA-N 417.255 4.108 0 1 HIAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2oc(N)nc2c1 587579070 YCYWRXVYTARGPN-WZONZLPQSA-N 402.406 4.301 0 1 HIAF O=C(OC1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)c1ccccc1 587598464 BATIZQJZLWLICX-HYSRAYMDSA-N 402.402 4.112 0 1 HIAF Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613774 YXUFOCHKCCWVEI-XUZZJYLKSA-N 402.402 4.175 0 1 HIAF O=C(c1ccccc1N1CCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660709 JGIGTVNZFDDGKQ-UHFFFAOYSA-N 413.452 4.491 0 1 HIAF COC(=O)C[C@@]1(Cc2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587725562 DXJNANYOEKVOMT-FKIZINRSSA-N 424.285 4.263 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2C[C@@H]2C(=O)O)N1 587828652 UQJLRYCWTBZRMI-DENUUSLYSA-N 404.279 4.087 0 1 HIAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587837227 DSWMRYKUXAXSAD-PRWKNARSSA-N 418.262 4.035 0 1 HIAF COc1cccc(CCc2nc3c(I)cnc(Cl)c3[nH]2)c1 587930814 KRNPVYWASLNUSM-UHFFFAOYSA-N 413.646 4.010 0 1 HIAF COc1ccc2c(c1)[C@@H](c1sc(N3CCC(=O)CC3)nc1Cl)N(C(C)C)CC2 962090079 IMIUUBCTVLVQBL-SFHVURJKSA-N 419.978 4.330 0 1 HIAF COc1ccc2nc([C@@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)[nH]c2c1 962639670 LQPGXZMXVZLYMR-CPJSRVTESA-N 410.521 4.408 0 1 HIAF COC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962905229 ZBGDFPMWLAGGID-SQJMNOBHSA-N 419.452 4.142 0 1 HIAF COc1ccc([C@]2(Cc3ccncc3)NCCc3cnc4c(OC)cccc4c32)cc1 963049964 XDJICDDHGPFMFG-SANMLTNESA-N 411.505 4.279 0 1 HIAF COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)NCCc2cccc(Cl)c21 963391053 PDLNXAQCADMFKG-IBGZPJMESA-N 419.706 4.146 0 1 HIAF CN(C)CCCN=c1[nH]c(/C=C/c2cccs2)nc2ccc(Br)cc12 1857566167 FVDNFHPDKWNUIF-VQHVLOKHSA-N 417.376 4.410 0 1 HIAF Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(=Nc2cccc(C(=O)O)c2)[nH]1 1857570518 DBGTUHVUTOSJOJ-UHFFFAOYSA-N 416.528 4.423 0 1 HIAF O=C1[C@H]2C(c3ccc(Cl)cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccccc1 1857771855 MDFFZFRLPJDKPN-PZJWPPBQSA-N 401.853 4.123 0 1 HIAF CC(C)[C@@H]1CC[C@@]2(C)[C@H]1C[C@]1(O)[C@@H]([C@H](C)CC[C@@]34[C@H](CC[C@H]3C)[C@]14C(=O)O)[C@H]2O 2356429430 UNEUBHPEGNVSJI-MKJOWNBBSA-N 404.591 4.334 0 1 HIAF CCc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C=O)Cc1ccc(OC)cc1 61897440 DDWQPJQPSSPOCM-UHFFFAOYSA-N 423.513 4.062 0 3 HIAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2ccc(Br)cc2)C1=O 200050164 MFOLDMKBQPCBKU-LJQANCHMSA-N 415.331 4.069 0 3 HIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncccn3)cc2)c1C 601847 AZYAXQRVKZNKCU-UHFFFAOYSA-N 406.467 4.216 0 1 HIAF COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc(OC)c(CC=C(C)C)c3O[C@@H]1CO2 6186064 QADCCYSYLNTZHV-FGZHOGPDSA-N 410.466 4.341 0 1 HIAF biogenic COc1ccc([C@H]2/C=C/CN(C(=O)C3CC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 12478258 XAPQFFOIGCFEJL-UQTOCXAZSA-N 422.500 4.101 0 1 HIAF Cc1oc(-c2ccccc2)nc1[C@H](O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 26575841 VDPUTXRAMMGAED-LVSMMTLPSA-N 422.462 4.086 0 1 HIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccc(O)cc2[C@@H]1CN1CCCC1 26816804 QHRMWGUCTJFDKM-NRFANRHFSA-N 419.352 4.463 0 1 HIAF O=C(CCCN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1F 28647160 OZLDEMFFJYMUDM-UHFFFAOYSA-N 407.892 4.155 0 1 HIAF Cc1cc(C)n(-c2cc(NC(=O)Cc3ccc(F)c(F)c3)nc(-c3ccc(C)o3)n2)n1 29128068 RSMDEAIXWSAVMJ-UHFFFAOYSA-N 423.423 4.307 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2nccn2)cc1 49756196 MBNINRCJDJMURD-JOCHJYFZSA-N 416.481 4.285 0 1 HIAF CN1CCCC[C@@H]1COc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1 66260201 KTNRAOBLSVMKID-JOCHJYFZSA-N 404.510 4.280 0 1 HIAF COc1cc2nc(NCCCCO)nc(NC[C@@H](C)c3ccccc3)c2cc1OC 82126356 XJZZTIFEYDTPCI-MRXNPFEDSA-N 410.518 4.047 0 1 HIAF CC[C@H](C)C(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636897 FWEAWRYIBYIELT-PCCBWWKXSA-N 413.606 4.340 0 1 HIAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 101471471 WSRBKUJVSSSBNG-GUYCJALGSA-N 420.456 4.379 0 1 HIAF Cc1ccc(-n2ncc3c2C(C)(C)CCN([C@H]2[C@H]4CC5C[C@@H]2C[C@@](O)(C5)C4)C3=O)cc1 101668441 PIPBSWYQEPJYPD-QBYVCPELSA-N 419.569 4.244 0 1 HIAF CC1=C(C(=O)Nc2ccccn2)[C@H](c2cnc3ccccc3n2)C2=C(O)CCCC2=N1 104036235 YMCSIVOVILBPRX-QHCPKHFHSA-N 411.465 4.472 0 1 HIAF Cc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCOCC2)cc1C 144304450 FUOFBKMRZLYCDC-UHFFFAOYSA-N 416.930 4.174 0 1 HIAF Cc1ccc(NS(=O)(=O)N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)cc1 169351021 QSHLDOYFBVHASV-MRXNPFEDSA-N 417.339 4.233 0 1 HIAF CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O 195329434 QIZIQMNNPOJZNE-JHNDHUHGSA-N 411.479 4.053 0 1 HIAF COc1ccc(Nc2cccc3c2N(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1 299830301 MJSUVJVQTPONFZ-UHFFFAOYSA-N 410.495 4.199 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ccc(C)nc3[nH]1)C(=O)OC2 586916438 ZBWRIRXHGNVPNJ-XGICHPGQSA-N 407.470 4.081 0 1 HIAF Cc1c(Br)cnc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc12 586983580 DYERFSVUCDWDPL-GFCCVEGCSA-N 410.113 4.034 0 1 HIAF CC1=C(c2ccc3nc(-c4ccccc4OCc4cscn4)[nH]c3c2)NNC(=O)C1 587028915 BIKNKTPGERHXDQ-UHFFFAOYSA-N 417.494 4.021 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(Cl)c(Cl)cnc4[nH]3)cc12 587037764 NCXLDMOQJLGKSC-SSDOTTSWSA-N 409.302 4.012 0 1 HIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587041868 HCZGKNUYBRXRHU-VIFPVBQESA-N 404.280 4.224 0 1 HIAF Cc1nn(-c2cccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c2)c(C)c1Cl 587065794 XYWRFGKWYMIHHJ-UHFFFAOYSA-N 400.891 4.089 0 1 HIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(I)cnc3[nH]2)c1 587241988 MYLUVZYVMICJBD-UHFFFAOYSA-N 420.254 4.214 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cccc(Cl)c32)[C@H]1c1ccc(F)cc1 587328901 KRHPLJYFEDDAKW-PGRDOPGGSA-N 409.800 4.391 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccc(C(=O)O)o4)cc1)[C@@H](C2)C3=O 587455184 KLMXVAQKQXMADY-UUOWRZLLSA-N 420.417 4.228 0 1 HIAF C[C@]1(Cn2ccc(C(F)(F)F)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554156 HSXOSFAQTIYNJZ-QFBILLFUSA-N 404.344 4.028 0 1 HIAF O=C(OCc1ccccc1)C1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596375 VHPCYHYFCITZJJ-TUHXZXAOSA-N 416.429 4.246 0 1 HIAF CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2c(C(=O)O)cccc12 587636996 SBYDITDKKAZDLG-UHFFFAOYSA-N 416.227 4.041 0 1 HIAF Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nn2)cc1 587761488 UUGOJFFJYYSPSN-RNODOKPDSA-N 415.310 4.160 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccccc23)([C@@H](C)O)N1 587801411 GAZJXRVPMXCXKO-FKANQGBASA-N 403.295 4.228 0 1 HIAF COC(=O)c1ccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587801454 GOMQVIGYEPHIOE-OVWNDWIMSA-N 417.278 4.480 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3nncn3C)o2)N1 587847434 XUKTVIYYTFUEQA-XXFAHNHDSA-N 423.311 4.085 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)s2)N1 587850585 ZYUINXVFFXMOJY-BBATYDOGSA-N 411.340 4.110 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@]1(/C=C\N(C)C)[C@H](C)Oc1ccccc1 961319554 JATCHIPMBQSKJN-DNLQHCJESA-N 424.585 4.328 0 1 HIAF COc1ccc([C@@]2(C(C)C)N[C@H](C(=O)O)Cc3cc(F)ccc32)c(Br)c1 962898754 MLZDQUHUUOBIMB-ICSRJNTNSA-N 422.294 4.095 0 1 HIAF Cc1cc2c(cc1C)[C@@]1(NCC3(CCOCC3)c3cccc(C(F)(F)F)c31)C(=O)N2 962961852 WPLAGOCDRHLFSH-QFIPXVFZSA-N 416.443 4.169 0 1 HIAF Cc1ccnc2c1CCN[C@]21CC(C)(C)CC2=C1[C@H](c1ccccc1)NC(=O)N2C 963066172 FRSXYJGETCCQED-OFVILXPXSA-N 402.542 4.201 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1nc2cccc(C)n2c1Br 963637503 SNTXDJYKVITISC-BBATYDOGSA-N 416.319 4.046 0 1 HIAF COc1ccc2cc(-c3ccc([C@]4(OCCCO)CN(C)CCO4)cc3)ccc2c1 1857567110 ZKDLMGPZJURLBQ-VWLOTQADSA-N 407.510 4.029 0 1 HIAF N[C@@](CC1c2ccccc2Sc2ccccc21)(C(=O)O)c1ccc(C(=O)O)cc1 1488730 FPQARIIBDDMZEU-HSZRJFAPSA-N 405.475 4.310 0 1 HIAF O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 4162960 VCXVSXKWDHGHLX-BVIHXZOGSA-N 421.316 4.258 0 1 HIAF COC(=O)CCC(=O)c1ccc2c(c1)C[C@]1(C2)Cc2ccc3c(c2C1)CCCC3=O 6379222 XWFALCLNUQKGLQ-SANMLTNESA-N 402.490 4.225 0 1 HIAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)N(CCN3CCCCC3)C(=O)C[C@@H]12 6482695 ZOAJGMAIXWPQOE-ONJIFJTESA-N 424.585 4.002 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CC(=O)NCc1cccnc1)C2=O 13642571 BTPQVHAQGIEPTN-IZZMWAHZSA-N 418.537 4.145 0 1 HIAF O=C([C@H]1CCCN1)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 25996132 RTXXHDKZVSNDOF-UXHICEINSA-N 400.415 4.038 0 1 HIAF CCCOC(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26390203 DSRHWMPVYUULHU-UHFFFAOYSA-N 424.375 4.273 0 1 HIAF CC(C)n1cnc2c(NCCCc3ccccc3)nc(N3CCCC[C@H]3CCO)nc21 26466691 HDUUTDGTSLJCBL-FQEVSTJZSA-N 422.577 4.193 0 1 HIAF Cc1ccc(N2CC(c3ccc(S(C)(=O)=O)cc3)=C(c3ccccc3)C2=O)cc1 29467685 XZPZMCTWLAHJGB-UHFFFAOYSA-N 403.503 4.356 0 1 HIAF NCCC[C@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCCC1 36184665 NGADEBBDUSTEJD-HSZRJFAPSA-N 412.484 4.225 0 1 HIAF COc1ccc(N(C(=O)c2ccccc2)[C@@H](C(=O)O)c2ccccc2F)c(OC)c1 40892106 TZZJPGZBPAUZGE-OAQYLSRUSA-N 409.413 4.316 0 1 HIAF CCN(C)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc(C)c1 82147923 QEGADCZIMOEXLM-UHFFFAOYSA-N 404.514 4.207 0 1 HIAF CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCc3cccs3)ncnc21 82190301 FPTARVIMPFNZMC-INIZCTEOSA-N 408.531 4.244 0 1 HIAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3ccccc3F)C2)N1Cc1ccccc1F 95794388 JPUOYDWMQHLZGG-JWQCQUIFSA-N 420.503 4.180 0 1 HIAF O=C(Nc1ccc(-c2nc(N3C[C@@H]4CC[C@@H](C3)O4)c3sccc3n2)cc1)NC1CC1 101306807 HBZPGFLLAMADHT-IRXDYDNUSA-N 421.526 4.010 0 1 HIAF c1ccc(-c2coc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)cc1 146511700 ANDXWORBJCJVSZ-UHFFFAOYSA-N 406.530 4.219 0 1 HIAF Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C 166419150 VLHYFLPLTQFSPU-UHFFFAOYSA-N 405.542 4.382 0 1 HIAF CC[C@@H](C)C(=O)N1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166570604 KVRSDPLGCNPGRH-QGZVFWFLSA-N 422.529 4.045 0 1 HIAF COc1ccc(CCNC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cc1 166865955 JQHOIVVCDGKHRB-UHFFFAOYSA-N 415.493 4.215 0 1 HIAF Cc1ccoc1C(=O)Nc1cccc([C@@H]2CN=C3c4ccccc4NC(=O)N3C2)c1 206976106 PPTJGAOTAUVJFG-MRXNPFEDSA-N 400.438 4.232 0 1 HIAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(-c3ccccc3)n2)c1O 299826337 FUWOKHLVNMJRGO-UHFFFAOYSA-N 419.890 4.134 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(OC(C)C)cc2[nH]1 586934957 DSNAVHFXIHOGAB-GOSISDBHSA-N 419.572 4.123 0 1 HIAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586962664 ULNNTGJTZPPKLJ-RXMQYKEDSA-N 405.789 4.046 0 1 HIAF CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587346231 IFPVISOVZKAZSF-XUZZJYLKSA-N 403.409 4.300 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)c(C)nn1[C@H]1CCCCO1)O2 587377638 OHPURAPFQLJZEC-HZPDHXFCSA-N 420.307 4.250 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn3cc(Br)nc13)CC2=O 587459283 NRKZTLWPSJNZDD-MRXNPFEDSA-N 401.260 4.461 0 1 HIAF O=C1C[C@@](C(=O)O)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 587495632 DPDLMJHEDWIFLE-FQEVSTJZSA-N 401.256 4.273 0 1 HIAF O=c1c2cc(Cl)ccc2cnn1-c1nccc(-c2ccc(Br)cc2)n1 587651525 VTPYQLPXUWWALP-UHFFFAOYSA-N 413.662 4.259 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ccc(F)cn3)c(=O)c3ccccc23)c(O)c1 587666220 BTGGJQUWYQXLHK-UHFFFAOYSA-N 404.445 4.139 0 1 HIAF CCOC(=O)C(Cl)(Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687706 ZUVZDXLGKFOOFF-RMLUDKJBSA-N 413.114 4.075 0 1 HIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc(N2CCCCC2)n1 587764585 GFLMUIXQIUZWRV-BLVKFPJESA-N 419.342 4.301 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc(C(=O)O)c23)N1 587805201 SJJCNUHMEHKRMD-DYBLOJMWSA-N 403.251 4.391 0 1 HIAF COc1cccc([C@]2(CC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587805966 GZGJRRKGGPPYQQ-YUNKPMOVSA-N 406.295 4.354 0 1 HIAF Cc1ccc(C(=O)NCCCCN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 653859686 QPSXGLKBPKOZQS-BKKFENPESA-N 421.629 4.400 0 1 HIAF COc1ccc2c(c1)CC[C@H](Cc1cc[n+](Cc3ccccc3F)cc1C(C)=O)C2=O 1857538072 OTIRNKFTUNIWRV-HXUWFJFHSA-N 418.488 4.361 0 1 HIAF CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N=c2cc[nH]cc2)[C@H]1c1cccs1 1857619942 KNSHIFYCDLSFCG-LEWJYISDSA-N 405.523 4.140 0 1 HIAF COc1ccc(OC)c(NC(=O)Nc2nc([C@@H](N)CCc3ccccc3)cs2)c1 61904813 QCBQPERTMCCNMN-INIZCTEOSA-N 412.515 4.437 0 3 HIAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12)N1CCOCC1 4208521 JBSADFLAADICKH-GGAORHGYSA-N 420.896 4.444 0 1 HIAF COc1ccc(N2C[C@H](C)[C@H](CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 72136566 UKIIEMBBEIPALE-UGSOOPFHSA-N 417.303 4.085 0 1 HIAF COC[C@H](C)NC(=O)c1cc(NC(=O)c2nc(C)oc2C)cc(-c2ccc(C)cc2)c1 142621972 VYYKDMNBXLSXHL-HNNXBMFYSA-N 421.497 4.284 0 1 HIAF CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(/C=C4\SC(=O)NC4=O)cc3)nc12 205468872 ZEKMHJMIMRPSOF-ZSOIEALJSA-N 421.482 4.254 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4nccc5ccccc45)ncc23)ccn1 261192374 ZPUWQXGAGZHVSV-UHFFFAOYSA-N 409.453 4.198 0 1 HIAF O=C(O)c1ccccc1/C=C/c1nc2c(Br)cnc(Br)c2[nH]1 586882599 ZNGFKIHBQYKVOY-AATRIKPKSA-N 423.064 4.352 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)cc2F)c1 587144468 ZKYQWLSFDZAPJP-FQEVSTJZSA-N 420.400 4.467 0 1 HIAF O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(C(=O)O)[C@H]1c1ccc(F)cc1 587328399 AHRUSYFWVVEDKR-REWPJTCUSA-N 410.372 4.095 0 1 HIAF COCCOC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349610 QGFVYXPMWIMZGJ-NZQKXSOJSA-N 402.462 4.338 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C)nc1)(c1c(N)sc3c1CCC3)O2 587413689 IPHKJHHGMACROQ-QHCPKHFHSA-N 405.523 4.322 0 1 HIAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504831 NOILDALPIOEICM-XMMPIXPASA-N 410.441 4.088 0 1 HIAF O=C1C[C@@H](c2ccccc2OCC(=O)N2CCCC2)Oc2c1ccc1c2CCCC1 587512332 CPIBKUNVOGIGHI-QHCPKHFHSA-N 405.494 4.273 0 1 HIAF Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nn2)cc1 587583354 VLPWSXKYPWIBPQ-XUZZJYLKSA-N 413.433 4.043 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(C(=O)O)N1 587703755 ZUFMXOMYICAILH-XTZNXHDOSA-N 412.686 4.298 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3cc(F)ccc3c2=O)N1 587731081 JVOGDSKUFSYWQL-YYSFKGJASA-N 406.226 4.457 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cnc(N)nc2)N1 587746033 LBKIDRFTGWSHPV-WLRWDXFRSA-N 413.294 4.251 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587756071 JXQNPDQLYQQNEZ-VOJFVSQTSA-N 409.347 4.135 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cnn(C)c2)N1 587767320 YCSYUJPANDZLST-XCLFUZPHSA-N 400.295 4.148 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C(=O)C2)N1 587768205 LMVMEQPRQVRBES-QKKBWIMNSA-N 417.322 4.140 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587789902 DUASOJMGFAEGAY-UFYHVXEKSA-N 422.294 4.152 0 1 HIAF COc1ccc(OC)c2c1CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587807253 KLKFHVAAYWGQJM-BIBXISHDSA-N 406.295 4.329 0 1 HIAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1C=O 587808223 PRNOAYHFAFXARM-GIGQVBGESA-N 408.267 4.042 0 1 HIAF CC(C)=CCN1CCC2(CC1)N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963177369 UZFCYPNSJVVLRF-KRWDZBQOSA-N 416.871 4.215 0 1 HIAF Cc1cc(N2CCCN(Cc3csc(-c4ccccc4)n3)CC2)c2nccn2c1 1772583464 OIHUUYBKCWJFRK-UHFFFAOYSA-N 403.555 4.479 0 1 HIAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)/C=C/c3ccccc3)c2)CC1 1772633722 UFRMZMRSWUIURW-OUKQBFOZSA-N 419.569 4.465 0 1 HIAF COc1ccc(-c2nnc(C[C@@H]3C[C@H](C(C)C)[C@H](CN(C)CCO)C=C3C)o2)cc1 2356301974 JDFCFUOYBDKQBJ-JAXLGGSGSA-N 413.562 4.066 0 1 HIAF CO[C@@H]1C[C@]2(CC[C@]3(CCC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]43C)O2)[C@H](OC)O1 2356394835 HUSWIFOINKVFAU-NBGNLYEHSA-N 410.551 4.198 0 1 HIAF Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cc(Cl)ccc1Cl 13673919 DUFXUYDTVSRSQN-UHFFFAOYSA-N 416.257 4.260 0 1 HIAF C[C@@H]1CCCCN1c1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1 27564031 BDPJKPJVWPQNSA-OAHLLOKOSA-N 400.906 4.390 0 1 HIAF O=C(Nc1nsc(-c2ccc(F)c(F)c2)n1)c1ccc(Nc2ccncn2)cc1 28953169 CBBRPJBDBBJTAE-UHFFFAOYSA-N 410.409 4.269 0 1 HIAF Cc1nnc(NCc2ccc3c(c2)OCO3)c2nc(C)n3nc(-c4ccccc4)cc3c12 36476644 HWYNIODPWYQPNK-UHFFFAOYSA-N 424.464 4.297 0 1 HIAF CCCC(=O)OC(CSC(=S)N(CC)CC)CSC(=S)N(CC)CC 39107354 IGQYHYTVHIRDAX-UHFFFAOYSA-N 424.723 4.418 0 1 HIAF CCO[C@@H](Cc1cccc(C2=NO[C@@H](c3ccc(Br)cc3)C2)c1)C(=O)O 40940299 YPGXXPHPVGKPLW-MOPGFXCFSA-N 418.287 4.347 0 1 HIAF CN(C)c1ccc(NC(=O)c2c(NCCc3cccc(Cl)c3)cc[nH]c2=O)cc1 59032015 JUOKRSVRPCWHDD-UHFFFAOYSA-N 410.905 4.001 0 1 HIAF CCN(CC)C(=O)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72100947 ZPJDMWKKYMBLRB-OAQYLSRUSA-N 400.954 4.340 0 1 HIAF O=C(N[C@@H]1COc2cccc(-c3cccnc3)c2C1)c1ccc(OC(F)(F)F)cc1 84672426 YAXBXTNYPVATMS-INIZCTEOSA-N 414.383 4.381 0 1 HIAF Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)c1 95875565 AJFGPRMGCHYGQR-SDHOMARFSA-N 421.585 4.005 0 1 HIAF Brc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 96169007 OULHTTUUBJQHPF-UHFFFAOYSA-N 418.335 4.181 0 1 HIAF O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc3ccccc3s2)n1 96269599 ODOVYJKTSPVTPU-UHFFFAOYSA-N 421.551 4.082 0 1 HIAF CCCCN1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1Br 96927486 FGRLXQYNWYCKOG-CQSZACIVSA-N 404.146 4.415 0 1 HIAF CCOC(=O)c1sc(-c2ccncc2)nc1N1CCC(NCc2ccccc2)CC1 103285853 LWLJYFOGVUNLRY-UHFFFAOYSA-N 422.554 4.140 0 1 HIAF CCOC(=O)c1sc(-c2ccccn2)nc1N1CCC(NCc2ccccc2)CC1 103285871 BGOFLHBTZXGWGT-UHFFFAOYSA-N 422.554 4.140 0 1 HIAF COc1ccc(-c2cc(C(N)=O)nc3cc([C@@H](C)Cc4cccnc4N)ccc23)cc1 205646301 FJCKJZYQYPBUEV-HNNXBMFYSA-N 412.493 4.333 0 1 HIAF CN(C[C@@H]1CCN(C(=O)C2CC2)C1)C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1F 206685828 ZTMDMDGVVQQEBZ-INIZCTEOSA-N 419.500 4.305 0 1 HIAF O=C(N[C@H]1CC[C@@H](c2ccccc2)CC1)c1ccn(CCCC(F)(F)F)c(=O)c1O 261086045 CNXKNFFJVIXAEC-CALCHBBNSA-N 422.447 4.353 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](c4ccccc4)C(F)F)ncc23)ccn1 261127478 KNFMKKYSAAGCMK-IBGZPJMESA-N 408.412 4.456 0 1 HIAF CCOc1ccccc1-c1nnc(COc2ccc(/C=C3/SC(=O)NC3=O)cc2)o1 299829076 SYRHOZQMVRGDQM-GZTJUZNOSA-N 423.450 4.038 0 1 HIAF CCOc1ccccc1[C@@](N)(c1nc2cc(C(F)(F)F)cnc2[nH]1)C(F)(F)F 587092498 NUONMNDDIVSVKM-OAHLLOKOSA-N 404.314 4.140 0 1 HIAF COc1cncc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 587120161 AFKGMKWCZQFJDH-UHFFFAOYSA-N 410.359 4.362 0 1 HIAF COC(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 587229935 MQBVVGLXHTYAOC-UHFFFAOYSA-N 422.485 4.314 0 1 HIAF Cc1[nH]c(C(=O)O)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344820 HKRJHERNVJQYLV-AUSIDOKSSA-N 409.413 4.449 0 1 HIAF C[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348400 ODUKFRBIGMJPLC-UPVQGACJSA-N 422.408 4.269 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c1)O2 587391400 MJLPSNTWPLHKBS-QJMRKGMQSA-N 418.493 4.137 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccc(C(=O)O)o3)cc1)O2 587403354 HBZPFKRZNRNFEV-QHCPKHFHSA-N 407.422 4.328 0 1 HIAF CCOc1c(Br)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587413011 LQXIYEAJJDECFK-YJYMSZOUSA-N 419.271 4.354 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](NC(=O)C(F)(F)F)c2ccccc21 587462431 QFOFSRFWHYDSFA-IERDGZPVSA-N 419.399 4.329 0 1 HIAF O=C(O)CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587596781 OUMSQUINSSDZIC-URXFXBBRSA-N 420.417 4.339 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2N1CCSCC1 587617800 KZNWNLPAJRJDPC-QTEQDKRBSA-N 411.523 4.084 0 1 HIAF CCOC(=O)[C@H](C(F)(F)F)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587708303 AUSYTUJQMKDYBX-MIUALZABSA-N 412.221 4.079 0 1 HIAF CCn1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587708894 FSDSVWQGTCAVNZ-JDNHERCYSA-N 420.248 4.453 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587729183 CETUQCGEHWBIMP-WLRWDXFRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587758192 BYAJLFWRUJOKCH-BWACUDIHSA-N 413.331 4.421 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2cccnc2)N1 587767975 ZIHVEBANYTUGQD-WYRIXSBYSA-N 401.283 4.007 0 1 HIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2N1 587873766 JDUJPMIYHVYMGL-CLAHSXSESA-N 407.327 3.987 0 1 HIAF CN(C)CCCN(C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 653678256 LEPHXULGNCNFIV-UHFFFAOYSA-N 423.630 4.458 0 1 HIAF C[C@@H]1Sc2nnc(-c3n[nH]c4c3CCC4)n2N=C1c1ccc(Cl)c(Cl)c1 653819601 FXYPPPBQIAYYJT-QMMMGPOBSA-N 405.314 4.210 0 1 HIAF CCNC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)c2cc(OC)ccc2CCN1C(C)C 962086674 CNABIYSUTGRVRQ-VWLOTQADSA-N 405.542 4.131 0 1 HIAF NCc1ccc(COc2ccc3c(c2)CCC[C@@]32c3c(N)ccc4c3CCN2C4)cc1 962958368 OGOWPNRKYSNLRP-MHZLTWQESA-N 411.549 4.258 0 1 HIAF CCCN(CCCCCc1ccc(O)c(OC)c1)[C@@H]1CCc2[nH]c(=N)sc2C1 1857603006 PXPHOMJZPNVWMG-QGZVFWFLSA-N 403.592 4.252 0 1 HIAF CC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)[C@H](OC(C)=O)[C@]4(O)C(=O)OC 2356400856 LWNWMGNTSHEJGE-KMQAJZCISA-N 406.563 4.255 0 1 HIAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC[C@H]1C(C)(C)[C@H](O)CC[C@@]1(C)O 2356515235 HBYBDKQFQLMBGU-YZUZCNPQSA-N 400.515 4.446 0 1 HIAF CC[C@H](CC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=CCN=C1 2356848046 PBZCXBQHXWOGPF-GCJKJVERSA-N 415.530 4.432 0 1 HIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 104083727 JTJCTZZQNZOJNB-AVRDEDQJSA-N 410.514 4.283 0 1 HIAF O=C1NCN(c2cccc(F)c2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2 26395947 CAJFOZGSDFEZSJ-QFIPXVFZSA-N 401.485 4.005 0 1 HIAF CN(C)CCCOc1cc(C(=O)Nc2cccc(Cl)c2)n(Cc2ccccc2)n1 26028319 REYDMIWCQJSDGA-UHFFFAOYSA-N 412.921 4.168 0 1 HIAF O=C1N[C@H](Cc2ccccc2)c2nc3ccc(Cl)cc3c(=O)n2-c2ccccc21 61949331 HGQSHGLLANBRRX-LJQANCHMSA-N 401.853 4.066 0 3 HIAF CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917876 XEKUMIDAHMMSES-PTCYJIBDSA-N 402.623 4.168 0 1 HIAF CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2O[C@@H](C)C(=O)O)c(C)c1 71340408 UTDANZPJNOWLLZ-LBPRGKRZSA-N 416.417 4.326 0 1 HIAF COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178602 AZZHLGQJMRZVMR-GOSISDBHSA-N 401.514 4.431 0 1 HIAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2ccccc2F)C1 82217077 DUZKEDFGOKBDIY-IRXDYDNUSA-N 414.525 4.382 0 1 HIAF NC(=O)CN[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 96248108 XOGIZHLZCSGUAE-MRXNPFEDSA-N 420.353 4.057 0 1 HIAF COc1ccccc1S(=O)(=O)N1Cc2ccccc2COC[C@@H]1Cc1ccccc1 95837003 PAZMEIINGJELHI-QFIPXVFZSA-N 423.534 4.028 0 1 HIAF CN(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccn2ncnc2c1 96914921 ICEIOKODQCTJDL-UHFFFAOYSA-N 409.449 4.133 0 1 HIAF Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](C1CCCCC1)OCC3(C)C 473084760 ULFSPLUPVUCLTB-QFIPXVFZSA-N 421.541 4.092 0 1 HIAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN1CCCC1 653853294 LTTBUKSBLZYYJW-UHFFFAOYSA-N 412.465 4.010 0 1 HIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2n1 587928362 APWUWSMUIBQCFZ-UHFFFAOYSA-N 403.438 4.404 0 1 HIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 586940279 YXYHXAGCZPXKFP-LLVKDONJSA-N 413.421 4.205 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338944 PARDHBIDGLCXNQ-VWNXMTODSA-N 421.424 4.134 0 1 HIAF CCOc1n[nH]c(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1Br 586979186 JLIVGHKXAMKHPJ-UHFFFAOYSA-N 414.101 4.494 0 1 HIAF O=C(O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587576882 LCUQIFXSOJUFAN-QPPBQGQZSA-N 415.401 4.134 0 1 HIAF NC(=O)c1cccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587020633 DLKHCQAXKFXPDM-UHFFFAOYSA-N 412.478 4.591 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3ccc(Br)cc31)CC2=O 587458202 HOPZGDGOMWETLH-HXUWFJFHSA-N 417.255 4.277 0 1 HIAF Fc1cnc(Br)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 587082772 VQTBJYRPMHYKTA-UHFFFAOYSA-N 422.645 4.413 0 1 HIAF COC(=O)c1cc(Cl)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 587007133 MHWSDFAMVQZRBS-UHFFFAOYSA-N 405.639 4.080 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)nc2F)N1 587738116 KEHHAZSWWOZJPN-VOJFVSQTSA-N 408.290 4.346 0 1 HIAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(O)ncnc4[nH]3)cs2)cc1 587013777 BBUKASVLNFFTGX-UHFFFAOYSA-N 424.486 4.120 0 1 HIAF COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCCO2 587832720 CDGRPDJIDCAWMP-YBTHPKLGSA-N 422.294 4.382 0 1 HIAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCCN1CCCCC1 587400080 PDCZEHQYNUGKCL-JOCHJYFZSA-N 410.514 4.157 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ncc[nH]2)N1 587735531 QGNAEBHERRVANQ-JEOXALJRSA-N 404.258 4.277 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(Cc3cscn3)CC2)[C@@H]1c1ccc(F)cc1 587370389 AURASNPJNQWTJK-OAQYLSRUSA-N 424.497 4.382 0 1 HIAF O=C(Nc1cccc2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c12)c1cscn1 68244866 FEOKNSOARMAYIQ-UHFFFAOYSA-N 416.384 4.113 0 1 HIAF COC(=O)c1ccc(C[C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962952204 GUUMSOZRXMIXKW-IBGZPJMESA-N 419.443 4.427 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(c1nc(Br)sc1C)N(C)[C@@H](C)C2 962628293 HDMKANVVDIYUDD-XTZNXHDOSA-N 411.365 4.371 0 1 HIAF COc1cccc(-c2cnn3ccc(Nc4cc(OC)c(OC)c(OC)c4)nc23)c1 168341476 ASIQIDDVKLALRN-UHFFFAOYSA-N 406.442 4.174 0 1 HIAF CC(=O)N[C@@H](C)COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cn2)o1 1772584282 DKJYOUKNZYTRBM-HNNXBMFYSA-N 423.469 4.221 0 1 HIAF CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4ccc(Cl)cc4)cc23)CC[C@]1(C)N 1772592591 NJNZVVQYKKIDLH-GCJKJVERSA-N 411.937 4.072 0 1 HIAF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCN1CCCC1 13645687 UCLLLXSWJMGMIH-FPLPWBNLSA-N 413.514 4.366 0 1 HIAF CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](C2CCCCC2)[C@H]1CCCO 13656969 OVGPSTMSQDBZRQ-PQNGQFLHSA-N 401.547 4.165 0 3 HIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@](C)(N3CCCC3)[C@H]2C)OCO4)c1OC 17175687 QUAKHYXKSRPYCZ-AMOXOZGRSA-N 411.498 4.405 0 1 HIAF Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3cccc(C(F)(F)F)c3)cc12 169336044 NFNFEMXPLYMGLE-UHFFFAOYSA-N 412.415 4.331 0 1 HIAF COc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169696161 KBXXEARFOZLUON-RTWAWAEBSA-N 411.523 4.306 0 1 HIAF O=C(CNc1ccccc1)NCCN=c1cc(/C=C/c2ccccc2)[nH]c2ccccc12 1857589393 IXUONOJEQZVSTM-FOCLMDBBSA-N 422.532 4.467 0 1 HIAF C1=C[C@H]2N=C(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)N[C@@H]2N=C1 1857590187 DYUTWRFEEOPXMN-VGSWGCGISA-N 417.538 4.073 0 1 HIAF Nc1cccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c1 220622651 NIIAGYQSTWVVLA-UHFFFAOYSA-N 421.492 4.455 0 1 HIAF Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 758492 BROYPRZUMZTGCW-TZIWHRDSSA-N 422.525 4.018 0 1 HIAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 768046 GQNUGIAZZYIEJI-AAIMPIBUSA-N 422.912 4.472 0 1 HIAF O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccoc1 775184 RZULBOCYVQNCQK-QGZVFWFLSA-N 406.413 4.074 0 1 HIAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC2CCCC2)c(OC)c1OC 775498 AAROVLZGJYTUFG-UHFFFAOYSA-N 402.491 4.337 0 1 HIAF OC1(c2ccccc2)C[C@H]2CC[C@H](C1)N2CCCC1(c2ccc(F)cc2)OCCO1 1641773 FBUQIOZUBBLBJP-DHIUTWEWSA-N 411.517 4.320 0 1 HIAF O=C1CN(C(=O)c2ccco2)[C@H](c2ccccc2)c2cc(Br)ccc2N1 2456578 CMQXWPMNXJLTPZ-LJQANCHMSA-N 411.255 4.226 0 1 HIAF O=c1cc(NCCCN[C@@H]2COc3c(Cl)cc(Cl)cc32)[nH]c2ccccc12 3925579 ODOFZARUGIGXFT-QGZVFWFLSA-N 404.297 4.360 0 1 HIAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(C(F)(F)F)cc1 13601636 HMFUVLYLTGOWME-HXUWFJFHSA-N 423.394 4.251 0 1 HIAF COc1cc2c(cc1OC)CC(=O)N(CCCNCCCCc1ccccc1)C=C2 26397866 CLLZUACJTYCRIS-UHFFFAOYSA-N 408.542 4.062 0 1 HIAF CCNc1cccnc1N1CCN(C[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 27518896 QMBXAWHEXHOOFV-VWLOTQADSA-N 424.589 4.050 0 1 HIAF COc1cc2cc(OC)c1OCCCCCCn1ccc3cc(ccc31)[C@@H](O)[C@H]2O 28954142 UDHXJLKVFGHXGB-PKTZIBPZSA-N 411.498 4.378 0 1 HIAF COc1cc([C@H](NC(=O)C(F)(F)F)c2cc3ccccc3o2)cc(OC)c1OC 38142245 MPDATKWVUFHEPI-KRWDZBQOSA-N 409.360 4.227 0 1 HIAF CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCCC(F)(F)C4)cc3c2)CC1 40972962 TYHLMFODAUOGBW-UHFFFAOYSA-N 405.489 4.291 0 1 HIAF CCOC(=O)C1=CN(CCc2ccccc2)C=C(C(=O)OCC)C1c1ccccc1 45287421 UOAKSKWTGLXYHU-UHFFFAOYSA-N 405.494 4.223 0 1 HIAF CC(C)(C)C(=O)N1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 72186622 POOVZUQLHIJQQQ-LJQANCHMSA-N 405.464 4.380 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccccc1 82133597 BWMAPYKFFMPZCG-QGZVFWFLSA-N 404.514 4.335 0 1 HIAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCC 82213547 KOLIQFZTUMHGMH-ONSHHFHSSA-N 414.590 4.353 0 1 HIAF COc1nc(/C=C/c2ccc(OC)c(O)c2)cc(/C=C/c2ccc(OC)c(O)c2)n1 84689471 YAQSOLDUFGSJNP-KBXRYBNXSA-N 406.438 4.254 0 1 HIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc4c(c3)OCO4)C[C@@H]1O2 95556560 ZTJRGZBTXOQUQI-FNXXIHLHSA-N 409.482 4.047 0 1 HIAF CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)CCC(=O)O)CC1 140123806 LPQMTAUXHHUERU-UHFFFAOYSA-N 408.542 4.236 0 1 HIAF Cc1ccc2nc(C)c3nnc(-c4cc(OC5CCOCC5)ccc4Cl)n3c2n1 145717920 SZDKYLLVLPNRMF-UHFFFAOYSA-N 409.877 4.168 0 1 HIAF N[C@H]1CC[C@H](Nc2nccn3c(-c4cccc(NCc5cccs5)n4)cnc23)CC1 169701274 UYVGTKUPUMGVPL-IYBDPMFKSA-N 419.558 4.147 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccc(Cl)cc2)c1 169706977 VLYDWBJWTRRASS-QGZVFWFLSA-N 422.916 4.220 0 1 HIAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 221044950 QJUZTXWFBXRGOD-HOYKHHGWSA-N 408.542 4.373 0 1 HIAF Nc1c(Cl)cc(C(=O)N(C2CC2)[C@H]2CC[C@@H](C(=O)N3CCCC3)CC2)cc1Cl 261071574 AEMKILACVICPQY-OTVXOJSOSA-N 424.372 4.361 0 1 HIAF O=C(O)c1cc(Br)cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 587091011 DZXBYBRKLARQOC-UHFFFAOYSA-N 416.153 4.027 0 1 HIAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(-n4cnnn4)cc3[nH]2)c(Cl)c1 587159963 ZRDZMBHRGBPAIQ-FQEVSTJZSA-N 420.835 4.500 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3cnc4c(F)cccc4c3N)nc2c1 587176242 ITMHQOOYPQTNTI-UHFFFAOYSA-N 415.222 4.049 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1cn4ccccc4n1)[C@@H](C2)C3=O 587437459 ZWGURICYBRXVNN-UQBPGWFLSA-N 412.445 4.411 0 1 HIAF CCC[C@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570966 JZPMFWREIPLUSV-FDDCHVKYSA-N 413.470 4.417 0 1 HIAF CCOC(=O)[C@H](C)n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587754807 MVALNMSLBRJMPF-PZROIBLQSA-N 409.299 4.137 0 1 HIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1-n1cccn1 587756313 DASZXUHSHNNUKM-KPZWWZAWSA-N 401.283 4.101 0 1 HIAF CCOC(=O)CC[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587771818 DGDRLQHJKARXNC-RBZFPXEDSA-N 421.310 4.104 0 1 HIAF COCOc1ccc(OC)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805563 HOUPIIMBWILSDM-NSPYISDASA-N 410.283 4.203 0 1 HIAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1OCc1ccc(C)cc1 962891365 DQKYVGATJARFSX-URXFXBBRSA-N 421.468 4.410 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCc3c2sc2nc(C(=O)OC)cn32)N1 962941452 DXOIDZAMGMZOPK-ZLOXQWCVSA-N 420.538 4.168 0 1 HIAF COc1ccc(NCC[C@@]2(c3ccc(F)cc3)NCCc3c(C(=O)O)cccc32)cc1 963130433 IWHHZNKVEBEAPD-VWLOTQADSA-N 420.484 4.424 0 1 HIAF CCCOc1ccc([C@@]2(c3ncco3)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963636757 SDANFKWYQOCAGI-VOIUYBSRSA-N 408.498 4.307 0 1 HIAF O=C1c2ccccc2N[C@H](c2ccccn2)N1c1ccc(OCCn2ccnc2)cc1 1772607388 HILFCBSUDXXTTG-QHCPKHFHSA-N 411.465 4.128 0 1 HIAF CCCCC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1857559579 ANYCDOZDLHJPPK-UHFFFAOYSA-N 413.949 4.242 0 1 HIAF CC(=O)Nc1cccc(-c2cc(-c3ccnn3C3CCCCC3)c3c(N)ncnn23)c1 1857615860 TZIXIKQYEAVZNL-UHFFFAOYSA-N 415.501 4.306 0 1 HIAF CC(=CC[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@@H]2OC(=O)[C@]3(C)CCC[C@]1(C)[C@H]23 2356523627 YSJDJCWAZGWPOS-PSQNATGVSA-N 416.558 4.484 0 1 HIAF C[C@H](NC(=O)c1cc2c(=O)oc3ccccc3c2s1)c1ccc2c(c1)OCCO2 4563781 HBRJDAWMGOPQRN-LBPRGKRZSA-N 407.447 4.270 0 1 HIAF CCC(=O)Oc1c2c(c(COC(C)=O)c3c(C)coc13)[C@H](C)C[C@@H](OC(C)=O)C2 13300450 RKEUCAIBENNROK-IAQYHMDHSA-N 402.443 4.101 0 1 HIAF biogenic Nc1ccccc1N1CCN(CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 14976010 BNPJDUXHACQLJK-DEOSSOPVSA-N 420.601 4.145 0 1 HIAF O=C1c2ccccc2OC=C(Cl)N1CCCCN1CCC[C@@H](c2ncccn2)C1 28524354 WAAZJJOYWCSXTF-QGZVFWFLSA-N 412.921 4.009 0 1 HIAF O=C(Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)N1CCOCC1 28704759 PCRPRLYOULVIGI-UHFFFAOYSA-N 403.309 4.398 0 1 HIAF Nc1ncc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c(N)n1 45202387 OLPGGUAWLVEFPH-UHFFFAOYSA-N 406.343 4.110 0 1 HIAF CC(=O)c1ccc(N2[C@@H](C)c3nc4ccccc4c(=O)n3[C@@H]2c2cccc(O)c2)cc1 45299822 SFOMIHGBLXEVRX-IZHWHUGBSA-N 411.461 4.433 0 1 HIAF CCOc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccccc1 72176721 NFMOEPRMLGPGLA-UHFFFAOYSA-N 416.930 4.172 0 1 HIAF O=C(N[C@H](CSCc1ccccc1)C(=O)O)c1csc(Nc2ccccc2)n1 82084544 BJUZYTAWRWLUPQ-QGZVFWFLSA-N 413.524 4.003 0 1 HIAF COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(F)(F)F)n2)cc1 82195392 OQLDSNUSXPICLU-ZDUSSCGKSA-N 419.494 4.031 0 1 HIAF CN1CCC(NCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1 146542398 NMMONRAUMFQYSQ-UHFFFAOYSA-N 421.614 4.259 0 1 HIAF COc1cc(-c2c([C@@H]3O[C@@H](OC)[C@H](C)[C@H]3C)cc3c(c2OC)OCO3)ccc1O 238787344 BDGXQQPRVHLWJO-WFFNAJRZSA-N 402.443 4.121 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4c(cc3[nH]1)OCO4)N2 587033389 YZRIHBQVKZUCIC-WRCICQQISA-N 414.512 4.419 0 1 HIAF Clc1ccc(CN2CCC[C@@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587075392 IPFFBCWCFGBYTF-JOCHJYFZSA-N 410.949 4.386 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3ccc(F)c(Br)c3[nH]2)C(F)(F)F)n1 587094319 PNJWWRXDFWEZHG-ZDUSSCGKSA-N 424.217 4.222 0 1 HIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2nc(Br)c[nH]c-2n1 587246593 CQEVEZGNLOPSNT-UHFFFAOYSA-N 410.275 4.482 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CNC(=O)OC(C)(C)C)(C1CCOCC1)CC2=O 587468256 CQKOYOMAEBSTSN-QHCPKHFHSA-N 419.518 4.000 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(N2CCOCC2)c1 587558783 UMQNGIIKRGULHJ-QPPBQGQZSA-N 421.424 4.071 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587587111 FQECTLGPKHMTDI-CYFREDJKSA-N 421.449 4.391 0 1 HIAF COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCCO2 587609508 NDWCYFMXSGSLSN-ZJSXRUAMSA-N 420.417 4.265 0 1 HIAF CC[C@H](C)c1ccc2[nH]c(-c3[nH]c(C)c(C(=O)OC)c3C)c(C(=O)C(=O)OC)c2c1 587643833 JKXDEYXHPFEDMO-NSHDSACASA-N 410.470 4.436 0 1 HIAF CCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)ccc21 587776248 VUIQOBNCWCBQJQ-MPBGBICISA-N 403.295 4.041 0 1 HIAF COc1ccc([C@](C)(O)C[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587804316 ASVXQIHTVWUVIQ-OITMNORJSA-N 408.311 4.470 0 1 HIAF COC(=O)c1ccc2c(c1)[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811788 XEFNZAZLVJRDLY-PRWKNARSSA-N 404.279 4.099 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2C(=O)CC(C)(C)CC2=O)N1 587824507 XFACYLYBLZHADA-BIBXISHDSA-N 410.327 4.302 0 1 HIAF COc1cc(OC)c2c(c1)OCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587831722 AAUWALJHLUPTGU-BIBXISHDSA-N 422.294 4.166 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=S)N(C)C)cc2)N1 587845784 SKROFEJJCPYMNY-BBATYDOGSA-N 423.351 4.437 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccncn3)s2)N1 587851862 CZAPJOYYWXNCBJ-JDNHERCYSA-N 405.296 4.125 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCSCC3)nc2)N1 587858225 ZNFTVKXYTVQNDT-CWTRNNRKSA-N 422.367 4.160 0 1 HIAF CC(C)c1cc(SCC(=O)Nc2ccc(C(=O)O)cc2)nc(-c2ccccn2)n1 957853821 RLPMDNMXKQITLS-UHFFFAOYSA-N 408.483 4.091 0 1 HIAF CC(C)(C)OC(=O)NC[C@@H]1Cc2c3cccc2[C@]2(C=COC(C(F)(F)F)=C2)N1C3 962645925 YVHGQWRNDPSZJZ-VBKZILBWSA-N 408.420 4.137 0 1 HIAF Cn1c(-c2ccc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)o2)nc2ccccc21 963239050 ZPPCXCKBDPHBDL-XXBNENTESA-N 424.460 4.070 0 1 HIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2coc(-c3cccc(Cl)c3)n2)N1 963240165 YFDHIWZXNTZOFS-QUCCMNQESA-N 405.841 4.232 0 1 HIAF CC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1 1772633974 FPGDCKQWXUIEJX-CTNGQTDRSA-N 422.573 4.159 0 1 HIAF Cc1ncc(-c2ccn3ncc(-c4ccc5c(c4)[C@@](C)(CC4CC4)C(=O)N5)c3n2)cn1 1857551200 BWZJQTMIXIJENC-XMMPIXPASA-N 410.481 4.172 0 1 HIAF CCCCNC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2ccc(C)cn12 1857592925 KKYZMNSUPXZWRZ-UHFFFAOYSA-N 418.419 4.444 0 1 HIAF NCc1cc(NCc2cccc(C(=O)Nc3ccccc3)c2)nc(C(F)(F)F)c1 1857603511 XXAFCSLVTWGVEY-UHFFFAOYSA-N 400.404 4.424 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCOC)cc21 1857609570 ODPBHSUHWRGPSG-UHFFFAOYSA-N 402.494 4.366 0 1 HIAF CSc1nc2ccccc2n1Cc1nnc2n1N=C(c1ccc(C)cc1)CS2 1911580571 RARKOFUHMJCVPD-UHFFFAOYSA-N 406.540 4.065 0 1 HIAF CCOC(=O)C1CCN(Cc2nc(-c3cccc(Br)c3)oc2C)CC1 3029463 BAKJDCWKDHMTHK-UHFFFAOYSA-N 407.308 4.188 0 1 HIAF CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 5070443 QQKDGLWBCARLBX-NQIIRXRSSA-N 412.505 4.127 0 1 HIAF CC/C=C/CO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13642010 NFJUISWVZRMNFR-BDUNBXCCSA-N 409.305 4.348 0 1 HIAF Cc1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1/C=C/[C@H](O)C[C@@H](O)CC(=O)O 26750988 JHEPBMVKKJYNGC-LBNTZDJNSA-N 421.468 4.463 0 1 HIAF O=C([C@H](O)c1ccc(O)cc1)n1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1 28969892 RYIBSKICTMDCHH-HSZRJFAPSA-N 401.418 4.313 0 1 HIAF biogenic COc1cc(Nc2ncc3c(C)nc(-c4ccc(F)cc4)n3n2)cc(OC)c1OC 38346622 IVWUBHFTLDRTBB-UHFFFAOYSA-N 409.421 4.008 0 1 HIAF C[C@H]([C@H]1C[C@H]1C(=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 44156873 SPBCVLSZAPVLJN-VNJSAVJGSA-N 404.591 4.334 0 1 HIAF O=C([C@@H]1CCCCN1)N1C[C@H](c2ccccc2)c2ccccc2[C@H]1CN1CCCCC1 45299539 DEJHKAVMUZLZED-UODIDJSMSA-N 417.597 4.330 0 1 HIAF Fc1ccc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)cc1Br 96271410 LTVQANUQWPUREI-UHFFFAOYSA-N 402.223 4.386 0 1 HIAF CCOC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 114710661 ZMZYILLIMBOBHA-UHFFFAOYSA-N 411.546 4.323 0 1 HIAF CCN(CCCCC[C@@H](C)F)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 140573890 YZBMUXUJPCBQFJ-YLJYHZDGSA-N 402.576 4.112 0 1 HIAF C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)cs1 142906262 APLXJTFZQWBTIJ-UHFFFAOYSA-N 413.506 4.368 0 1 HIAF Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2Cl)CC3)nn1C 169702336 WTFLQBYZDPOHAZ-UHFFFAOYSA-N 419.920 4.005 0 1 HIAF Cc1ccoc1C(=O)Nc1ccc([C@@H]2CN=C3c4ccccc4NC(=O)N3C2)cc1 206976211 MBSYSGIRFJAEDX-MRXNPFEDSA-N 400.438 4.232 0 1 HIAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(OCc3ccccc3)c2cn1)c1ccccc1 209396802 NNFZKOTXNASGJI-HXUWFJFHSA-N 417.469 4.046 0 1 HIAF CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)nc2)cn1)C(=O)O 218549412 VUIUGQAJZFKBIA-UHFFFAOYSA-N 406.364 4.042 0 1 HIAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=C3CC[C@]2(O)C1)CC[C@@H]4[C@H]1C=CC(=O)O1 255260027 PVFIGYYARZNHQO-RYIZTCRSSA-N 414.542 4.238 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 299882182 PHFXWLKDVFDSCF-ZDWFJGAWSA-N 418.896 4.094 0 1 HIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(C(F)(F)F)ncc2[nH]1 587003278 QMMRIMJGXBEXRW-NSHDSACASA-N 424.224 4.463 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(CO)cc3[nH]1)N2 587033376 YWMZFUQBHSGYDW-OXFWXOROSA-N 400.529 4.182 0 1 HIAF Oc1nc(S)nc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc12 587068345 RYAGLGZNWJMBQD-UHFFFAOYSA-N 410.846 4.113 0 1 HIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3ncc(I)cc3[nH]2)n1 587079920 LXNHQRMVWRAVBB-SSDOTTSWSA-N 401.639 4.050 0 1 HIAF CCOC(=O)c1cnn(-c2ccc(-c3nc4ncc(C)cc4[nH]3)cc2)c1C(F)(F)F 587114515 CZVPVMQHGFSACR-UHFFFAOYSA-N 415.375 4.315 0 1 HIAF Cc1ccnc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc12 587141258 OPYAXKBXBCCAGI-UHFFFAOYSA-N 400.410 4.012 0 1 HIAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(OC(C)C)cc2[nH]1 587181841 FLEMUFAXLIYINV-NSHDSACASA-N 410.259 4.069 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587232486 XTYBMFIVDMRMCW-MNOVXSKESA-N 403.832 4.272 0 1 HIAF C[C@@H]1Nc2ccccc2C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348822 SKMFHXFRIBNRFA-ARBTULSASA-N 403.409 4.326 0 1 HIAF CN(C)CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573217 SDHPZMWNLOBENB-RCZVLFRGSA-N 419.477 4.210 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ccc(C)nc3)c(=O)c3ccccc23)c(O)c1 587664694 GXPHAIQDIKLTIL-UHFFFAOYSA-N 400.482 4.308 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(C(F)(F)F)cc2)N1 587709846 BIHWQHOQDLLMMX-BMLIUANNSA-N 418.228 4.377 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587719838 LUZDXYFMSQHEIQ-QKSUWVKNSA-N 416.306 4.409 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3cc(F)ccc3c2=O)N1 587731079 JVOGDSKUFSYWQL-LZVRBXCZSA-N 406.226 4.457 0 1 HIAF COc1ccc(-c2cc(O)n(-c3cccc(-c4cccc(C(=O)O)n4)c3)c2O)cc1 587938441 XCSQRDKZSPLZEM-UHFFFAOYSA-N 402.406 4.324 0 1 HIAF CCCNC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncc(Cl)c(NC)n2)cn1 653856870 VGDMQYOGMLJPFL-KRWDZBQOSA-N 419.961 4.150 0 1 HIAF Cn1cnnc1Sc1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)o1 962723094 ZXTQFTPENSRUAX-ORAYPTAESA-N 416.547 4.151 0 1 HIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2C2(CCN(c3ccccc3)CC2)N1 963169576 GPGHESAWOYUQEL-MRXNPFEDSA-N 424.850 4.453 0 1 HIAF Fc1ccc([C@@H]2C[C@H]2CN[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772600694 UWOMMJXAXRDMEO-DUPRYPCISA-N 404.493 4.164 0 1 HIAF COc1cc(COCc2nc(C)c(C)nc2C)ccc1OCc1nc(C)c(C)nc1C 1857747388 YCGCWCHIXBCCSJ-UHFFFAOYSA-N 422.529 4.422 0 1 HIAF O=C(CCCCCCCCCc1ccccc1)OC[C@@H]1C[C@@](F)(C(=O)O)C(=O)O1 1911580077 DMWNYPUSCCFIQD-PGRDOPGGSA-N 408.466 4.002 0 1 HIAF O=Cc1ccc([C@H](C2CCCCC2)[C@@H]2C[C@H]([C@@H]3CC[C@@H]4CCC[C@@H]4N3)[C@@]3(O)C[N@@]23)cc1 2356769212 YMSJVQLHYWQYGP-XZILWLKRSA-N 422.613 4.476 0 1 HIAF COc1cccc(C[C@]2(CO)CCCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)c1 11879112 GLEDEDDUXHFWRX-AREMUKBSSA-N 419.569 4.315 0 3 HIAF COCCN1C(=O)[C@H]2C[C@@]13O[C@H](C1CCCCC1)N=C3C[C@@H]1c3ccccc3C[C@]21C 199724010 SQPCWFJDBHVHCC-VRFYTPIESA-N 422.569 4.305 0 3 HIAF CN(C)CCn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc21 3815209 CAHQBZBYEQNNHC-UHFFFAOYSA-N 411.307 4.047 0 1 HIAF Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3cccc(Cl)c3)nc21 4238245 PWNXYRAWAFZUQM-UHFFFAOYSA-N 400.772 4.114 0 1 HIAF COc1ccc([C@]2(O)C(S(=O)(=O)c3ccc(C)cc3)=Cc3ccc(OC)cc32)cc1 6005230 LCMRHQDFGVSKEF-XMMPIXPASA-N 422.502 4.077 0 1 HIAF O=C1C[C@@H](c2ccccc2)c2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2)O3)O1 13382674 BQCMJSOAYSMFJF-WMZOPIPTSA-N 402.402 4.245 0 1 HIAF biogenic C(=C/c1ccccc1)\CN1CCN(CCN(Cc2ccccc2)c2ccccn2)CC1 22925671 XIAXJMRDIVBEHN-NTEUORMPSA-N 412.581 4.419 0 1 HIAF Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 28889904 CNWRDLKCPGZLLP-UHFFFAOYSA-N 409.799 4.352 0 1 HIAF Cc1ccc2c(=O)c(C(=O)NC3CCC(C)CC3)cn(Cc3ccccc3F)c2n1 35050283 CSWGVXSESQPWML-UHFFFAOYSA-N 407.489 4.201 0 1 HIAF CO[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(C)=O)c(C)s2)C1 40011800 LYNTZTZGCPNFQC-MSOLQXFVSA-N 413.543 4.171 0 1 HIAF COc1ccccc1CCNc1ncc(C(=O)N2CCCC2)c(-c2ccc(F)cc2)n1 82140319 ITJITWYWTJWEDG-UHFFFAOYSA-N 420.488 4.182 0 1 HIAF O=C(OCCO)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 95595036 FJFRBMVKHFUJHL-UHFFFAOYSA-N 423.415 4.187 0 1 HIAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1C1=C[C@H](N)CCC1 96177753 AGRRECFYCKWARV-MRXNPFEDSA-N 420.463 4.324 0 1 HIAF CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccccc3C(F)(F)F)o2)n1 98082308 JGTYTAFMTRFBBH-UHFFFAOYSA-N 417.434 4.309 0 1 HIAF Cc1cccc(-n2ncc3c2C(C)(C)CCN(C2[C@@H]4CC5C[C@@H]2CC(O)(C5)C4)C3=O)c1 101668456 GDPNNZFTLYUMTF-HYVWSRJXSA-N 419.569 4.244 0 1 HIAF COCc1n[nH]c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)c1C 141934613 BYQTVVKXCBCKJQ-UHFFFAOYSA-N 414.509 4.260 0 1 HIAF CS(=O)(=O)Nc1noc2cc(OCC34CC5CC(CC(C5)C3)C4)c(Cl)cc12 218184335 LAAFHEWSOGBVCR-UHFFFAOYSA-N 410.923 4.448 0 1 HIAF COc1ccc(CO[C@@H]2O[C@H](OCc3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc1OC 238752718 OSEQANKLJOXPBT-VJQGEEPHSA-N 416.470 4.121 0 1 HIAF CC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n([C@H]3CC[C@@H](O)CC3)c2n1 254136479 SFDUUFDVJHFBRB-BETUJISGSA-N 402.449 4.144 0 1 HIAF O=S(=O)(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2)N1CCOCC1 261133507 LPXBZYACXYOFTH-HYUJZPPJSA-N 424.566 4.004 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C3/OC(=O)c4ccccc43)nc2c1 586905754 APNMCNFCXGKNKZ-OQLLNIDSSA-N 413.227 4.171 0 1 HIAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc([C@H](N)N=O)cc4[nH]3)ccc12 586918259 KVQOHKMSFCCGDI-JOCHJYFZSA-N 406.442 4.315 0 1 HIAF Nc1ccc(-c2ccc3nc([C@@H](N)Cc4cccc(Br)c4)[nH]c3c2)cc1N 586983926 LIEBCRADCAZKKN-SFHVURJKSA-N 422.330 4.399 0 1 HIAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c[nH]c(=N)[nH]c-2n1 587019237 VYFMAGFRMUDPAM-UHFFFAOYSA-N 405.314 4.473 0 1 HIAF Cc1ncsc1-c1c[nH]cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587028598 TYOMTBMZEKBVRE-UHFFFAOYSA-N 403.471 4.049 0 1 HIAF Cc1ccc(O[C@H](C)C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)c1 587273518 KVSXCMVYXXBRET-GFCCVEGCSA-N 404.260 4.350 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1)[C@@H](C2)C3=O 587435010 CTTLSRNQVNJHSW-HKARXFIJSA-N 401.503 4.237 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(N)sc4c1CCOC4)[C@@H](C2)C3=O 587454569 YUCLTYXYFPHDLE-BXKMTCNYSA-N 419.502 4.103 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(OC)c(C)c1)CC2=O 587484198 XDTVZTUMKBBFRE-XMMPIXPASA-N 412.482 4.476 0 1 HIAF C[C@]1(CC(=O)Nc2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553218 UKUTWCBIXWNJJU-SIKLNZKXSA-N 424.840 4.190 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Br)c1F 587570375 WKXMEKJIEFPQDB-KBXCAEBGSA-N 416.202 4.392 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594478 OFVRSKXTLNNQNQ-NFBKMPQASA-N 406.390 4.029 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ncccn2)n1 587615972 YFTUZXPSBRAMBN-LPHOPBHVSA-N 403.419 4.009 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sc(N)nc2C(F)(F)F)N1 587712295 KMWYXQGZOYMENV-MDAAJZPYSA-N 424.261 4.443 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2cccc(N)c2)N1 587748848 YXZZAQSDJKMIPX-LRTDBIEQSA-N 412.306 4.392 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccncc2)N1 587763130 IFQLYKMWPRGIOQ-WLRWDXFRSA-N 401.283 4.007 0 1 HIAF CCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CO 587798533 YNSUTUBQGVXPIU-MPBGBICISA-N 408.311 4.493 0 1 HIAF COC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587811266 WEFWTAXGZBMBTR-LBJGKRIESA-N 418.306 4.101 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2nccn2C)N1 587850982 HDZLSWRETNOYKO-ADLMAVQZSA-N 406.324 4.209 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cc(C)ccc1C 587868320 ZDBKQEBXWPFXKT-UHFFFAOYSA-N 405.376 4.309 0 1 HIAF Cc1c(O)ccc2c1[C@@H](c1cc3ccc(Cl)cc3nc1Cl)N[C@H](C(=O)O)C2 963471342 NVCRFXHGKIATDE-MAUKXSAKSA-N 403.265 4.244 0 1 HIAF Cc1ccc([C@@]2(CCc3ccccc3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963526852 OZWWRCGWBXLMJF-BKMJKUGQSA-N 401.506 4.484 0 1 HIAF C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@H]([C@@H]2CC[C@@H]3CCC4(CCCC4)[C@@H]3N2)[C@@]2(O)C[N@]12 2356700872 JWRGEHATSYWSHI-JMXGDEBPSA-N 408.586 4.086 0 1 HIAF CC(C)C(CC(=O)OC[C@@]1(CO)C/C(=C\CCc2ccccc2)C(=O)O1)C(C)C 13704202 IFMWIZOXMVQJKH-NNDWLSIRSA-N 402.531 4.085 0 1 HIAF Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1C1CCCCC1 26381798 VEHSXVLZKYHHQC-QFIPXVFZSA-N 421.516 4.330 0 1 HIAF COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CC[C@@H](N(C)C)C4)cc3)cn2)cc1 28123311 QVPVPTUAGMFXHF-JOCHJYFZSA-N 416.525 4.150 0 1 HIAF CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@H](C#N)C1=O 31821038 WDOBMYWYQITUSE-YKQIHDMFSA-N 413.514 4.090 0 1 HIAF COc1ccc([C@H]2CC(=O)N(c3cccc([S@](C)=O)c3)C2)cc1OC1CCCC1 34820585 ASLGAGIXWVAZOC-SFNQZPIRSA-N 413.539 4.275 0 1 HIAF COc1cccc(Nc2c(CN)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)c1 40404816 ATJDQESDBZNJJE-UHFFFAOYSA-N 419.506 4.279 0 1 HIAF CN1CCC[C@@H]1CCNCc1cccc(-c2cnc(N3CCCC(C)(C)C3)nc2)c1 45324635 OJVSBORFHPZHLS-HSZRJFAPSA-N 407.606 4.344 0 1 HIAF CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NCc3ccccc3)ncnc21 82178412 SOJCBTWHOMJNRM-LJQANCHMSA-N 402.502 4.183 0 1 HIAF C/C(=C\CC/C(=C/C[C@@H]1OC(=O)C=C1CO)CO)CC[C@H]1C(C)(C)CCC[C@]1(C)O 87529327 BYAXMGMKQCMKDN-VULPJOEKSA-N 420.590 4.223 0 1 HIAF in-vitro Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc2ccccc12 95598529 JIMAVXGNZWOBTM-HDICACEKSA-N 409.555 4.136 0 1 HIAF Cc1nc(-c2cccc(C(=O)N3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)c2)no1 96272123 ZVXAXLBXZOUNJB-QGZVFWFLSA-N 424.888 4.189 0 1 HIAF COc1ccccc1-c1nc2c(C(=O)NC3C[C@H]4CCC[C@H](C3)N4C)cccc2o1 101372582 OZOLNJQERDKPFN-IAGOWNOFSA-N 405.498 4.249 0 1 HIAF CC(C)C[C@H]1C(=O)N[C@@H](CC(C)(C)C)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 103265347 DWGTYWWKDOWPTA-HKUYNNGSSA-N 415.509 4.272 0 1 HIAF Cn1c(-c2ccco2)nc2c(NC(=O)C(c3ccccc3)c3ccccc3)ncnc21 103272037 QFHPYCPHWRVLNT-UHFFFAOYSA-N 409.449 4.394 0 1 HIAF CCS(=O)(=O)N(Cc1ccc(F)c(OC)c1)c1sc2ccccc2c1[C@@H](C)O 115232818 XZHVWLPXHDSJIL-CYBMUJFWSA-N 423.531 4.459 0 1 HIAF CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2ccn(C)n2)CC1 140695822 IPUHZZJQIGQBOQ-UHFFFAOYSA-N 416.569 4.419 0 1 HIAF Cc1ccccc1-c1nnc(Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)o1 473132762 WFXYJRVAMPGYBM-UHFFFAOYSA-N 421.460 4.379 0 1 HIAF O=C1c2ccccc2-c2cc(Cn3cc(Br)cn3)nc3ccc(O)c1c23 586984694 AQWMJBSNNJQKHT-UHFFFAOYSA-N 406.239 4.159 0 1 HIAF COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1Cl 586986653 YXUVTMCJSWQMSA-CQSZACIVSA-N 422.710 4.407 0 1 HIAF CCS(=O)(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587044603 ZXNKWCIFFKVZHD-UHFFFAOYSA-N 420.581 4.414 0 1 HIAF CCOc1ccccc1[C@](N)(c1nc2cc(Cl)nc(Cl)c2[nH]1)C(F)(F)F 587091110 BMZCETOWHVIXLM-HNNXBMFYSA-N 405.207 4.428 0 1 HIAF CC(C)Oc1cc2nc(CCNC(=O)Cc3ccccc3)[nH]c2cc1Br 587228963 VQAMSCKKWXHMHZ-UHFFFAOYSA-N 416.319 4.014 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)(c1sc(C)nc1C(=O)O)O2 587412613 JOTHYRGBINTJFW-LJQANCHMSA-N 400.481 4.011 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)ccc(Br)c21 587461843 ZOADUHFHZRCLJM-HXUWFJFHSA-N 416.271 4.228 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2CCN(CC2)[C@H]1Cc1ccccc1OC 587480019 BRBAGOLUULARBB-AZGAKELHSA-N 421.537 4.394 0 1 HIAF O=N[C@H]1CCn2c(O)nc3cccc(c32)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521216 ANOZTMBXBZGVPT-WMZHIEFXSA-N 403.438 4.020 0 1 HIAF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccncc21 587589553 XZHPWUKMYKMVGY-GJZUVCINSA-N 421.408 4.237 0 1 HIAF C[C@@]1(c2ccc(N3CCCC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594227 MBQRYAGDAANRRN-RDGATRHJSA-N 415.445 4.396 0 1 HIAF CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587612317 JFWXLQOFUSSZNI-RHSMWYFYSA-N 400.843 4.260 0 1 HIAF CCc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(S)n1 587615865 ZLORREPMCGCZGQ-XMSQKQJNSA-N 408.479 4.219 0 1 HIAF CCOC(=O)[C@H](C)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587703219 GGHWWZJGWHQPND-OLBFVZFUSA-N 412.221 4.079 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(F)cc(Cl)cc12 587738169 KQXBIFXFRMBASX-SKLCBMLGSA-N 413.649 4.111 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(=O)O)n(C)c3ccccc23)N1 587753521 JKSOMYSSCJAWLC-XTZNXHDOSA-N 417.278 4.402 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587844298 LGHKGMZNCUADDQ-LZVRBXCZSA-N 407.308 4.040 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)c1ccns1 963841753 RAJOMOLBMRACCI-VFNWGFHPSA-N 402.516 4.352 0 1 HIAF CCC(F)(F)c1cccc(NC(=O)[C@@H]2C(=O)N(c3ccc(OC)cc3)N=C2C)c1 1857551055 QZWANEJKOYSHCS-GOSISDBHSA-N 401.413 4.174 0 1 HIAF COCCOc1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 1857614929 VITAFGZXCYTNKU-UHFFFAOYSA-N 412.864 4.469 0 1 HIAF CC(C)(C)OC(=O)N1CCC2(CC1)CC(CCOc1ccc(S(C)(=O)=O)cc1)C2 1857759618 XNKAQPHPBVHTCY-UHFFFAOYSA-N 423.575 4.286 0 1 HIAF COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1 13586220 VNWXBCDASDHBCA-UHFFFAOYSA-N 400.479 4.078 0 1 HIAF O=C(O)CCn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21 33817919 YUKIZQHXWJBIDQ-UHFFFAOYSA-N 420.248 4.072 0 1 HIAF CCCCC[C@@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 36486815 YVJZIIFGECXQOY-UYAOXDASSA-N 415.486 4.304 0 1 HIAF C[C@H]1C[C@H](OC2CCCCC2)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40402530 MTSBFCKHSKFLIM-KSSFIOAISA-N 406.914 4.014 0 1 HIAF COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)cc5)nn34)ccnc2c1 40976280 HZBHYZXMLODTCA-UHFFFAOYSA-N 401.401 4.066 0 1 HIAF CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 82080951 PATSPFNHYOSDEC-IBGZPJMESA-N 422.554 4.144 0 1 HIAF C[C@@H](CNc1ncnc2c1nc(-c1cccnc1)n2C[C@H]1CCCO1)c1ccccc1 82188108 YTZKWUCHPRUCSZ-FXAWDEMLSA-N 414.513 4.283 0 1 HIAF Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(-c3ccc(F)cc3)c(=O)c12 88346069 FBNJVYHPGBICGI-CQSZACIVSA-N 414.444 4.278 0 1 HIAF COC1=C(OC)C[C@H]2C(=C1)[C@@H]1c3cc(OC)c(OC)cc3C[C@@H]2N(CC2CC2)[C@@H]1C 101971288 VXGVAKNUJJSHAO-KQZZSUENSA-N 411.542 4.277 0 1 HIAF O=C(c1[nH]o[n+](=O)c1C(=O)c1csc2ccccc12)c1csc2ccccc12 137006016 VGVCAZDGILAXDP-UHFFFAOYSA-O 407.452 4.414 0 1 HIAF C=CC(=O)Nc1cccc(-c2coc3ncnc(N[C@H](CO)c4ccccc4)c23)c1 144002954 HIZHWRGKJUVCIA-LJQANCHMSA-N 400.438 4.160 0 1 HIAF Cn1cc(-c2cc(OCCCCO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144846795 QTRPVHUUUZPPER-OAQYLSRUSA-N 418.415 4.017 0 1 HIAF Cc1cccc(-c2nc(C[S@@](=O)CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)c1 169298720 CAYQJFAJADNEHO-LWKOISQLSA-N 402.560 4.148 0 1 HIAF COc1cc(OC)c2c(c1)N(CCCC[C@H]1CCC[C@]3(CC[C@H](C)O3)O1)C(=O)C2 169326592 WSQLLNUEORDFOP-HKARXFIJSA-N 403.519 4.228 0 1 HIAF COc1cccc(F)c1-c1cccc2nc(Nc3cccc(S(N)(=O)=O)c3)oc12 169326839 OTMPGQSHVZZPJK-UHFFFAOYSA-N 413.430 4.034 0 1 HIAF Cc1cc(N2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c2ccccc2n1 205116337 XRJDXEKIGCHBBP-UHFFFAOYSA-N 421.341 4.295 0 1 HIAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)OCO4)nn3ccnc23)n1 207348344 CPXQURMEVHJHGO-OAHLLOKOSA-N 414.469 4.252 0 1 HIAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C2CC2)nc1C#N 219057616 LGXDLNCWJIFHOX-UHFFFAOYSA-N 407.477 4.245 0 1 HIAF Clc1ccc(NC[C@H]2CCCNC2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12 220124130 ILDXSFMCMPKSRH-HNNXBMFYSA-N 424.980 4.157 0 1 HIAF COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1F 299862134 MLXSCWIRJLXWPG-OYRHQHFDSA-N 421.512 4.274 0 1 HIAF COc1cccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1 299863501 PFSJUHOIUPHQKU-SDHSZQHLSA-N 403.522 4.135 0 1 HIAF Cc1cnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2c1 586968657 BSSMLCMUKJZBPS-GJZGRUSLSA-N 420.542 4.115 0 1 HIAF OCc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 587179069 PUAFWUWAPGYGKX-UHFFFAOYSA-N 418.156 4.346 0 1 HIAF Cc1cc(Br)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2c1 587234333 JRVJCXAXSWJQAB-UHFFFAOYSA-N 424.339 4.289 0 1 HIAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1C 587240226 RMGUVWGTEILYPW-CGROQTEOSA-N 415.534 4.435 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)N3CCCc4cccc2c43)[C@@H]1c1ccc(F)cc1 587349270 UDQKAXRKTLSFJR-PXDATVDWSA-N 415.420 4.079 0 1 HIAF CCCN(CCC)CCc1cccc2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 587401432 RAQRJYMAJUSPRM-VWLOTQADSA-N 421.541 4.055 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cnc(N4CCC(C(F)(F)F)CC4)s1)[C@@H](C2)C3=O 587422647 PNMFSRNSECVCGH-UGSOOPFHSA-N 424.444 4.419 0 1 HIAF O=C1C[C@]2(C=C(CO)OC=C2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587534955 HHOXVEROJCYHMX-VWLOTQADSA-N 404.462 4.234 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(F)c1)C1CCNCC1 587569280 HIUDLALBNPCAMR-DHLKQENFSA-N 419.452 4.388 0 1 HIAF CN1CCCc2cc(C=O)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 587591426 FJEVNANGEDFZFN-BWKNWUBXSA-N 415.445 4.290 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587727223 BDPSLWFGBRXPBI-ODXCJYRJSA-N 424.285 4.458 0 1 HIAF CC(=O)N(C)c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587744476 BITSDSJQAKCESC-ODXCJYRJSA-N 405.311 4.369 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCC(=O)N3)N1 587792977 JBFBMVZRTVVKIW-YBTHPKLGSA-N 403.295 4.271 0 1 HIAF CN1CCN(C(=O)C=C2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 618010090 POUKPAZAYNCPCM-UHFFFAOYSA-N 414.553 4.136 0 1 HIAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc(Cl)c1OC(C)=O 962638335 PMABKZOKROUGTQ-ODXCJYRJSA-N 419.905 4.257 0 1 HIAF COC(=O)c1cc([C@]2(c3ccc(F)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c[nH]1 963115492 VOTWWFNTBFIADI-HYBUGGRVSA-N 408.448 4.392 0 1 HIAF COC[C@@]1(CC(=O)C(C)C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963819918 YVTUTFSIICKCNO-RUZDIDTESA-N 406.526 4.350 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc(S(C)(=O)=O)sc2-c2ccc(F)cc2)cc1 26738047 DJWRLGQTCXQIBS-UHFFFAOYSA-N 410.513 4.028 0 1 HIAF C[C@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)N(C)C(=O)CCc1ccc(O)cc1 27561201 VFXDHFJSVIUCGU-OUDXUNEISA-N 424.585 4.177 0 1 HIAF CC(=CCCC(=CC[C@@H]1OC(=O)C=C1CO)CO)CCC1=C(C)[C@@H](O)CCC1(C)C 2356689861 BKHHGIGVYWPIJC-GOTSBHOMSA-N 418.574 4.143 0 1 HIAF CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NCCCc4ccccc4)CO[C@@H]23)cc1 2356804022 AAFRNMHBQQJNCI-YCAMKHIRSA-N 424.541 4.116 0 1 HIAF CCN(CC)c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 82066191 MKSZUNJAYYFZLW-UHFFFAOYSA-N 415.444 4.409 0 1 HIAF Cc1nc(Cl)c2nc(OC(=O)Oc3ccccc3)n(-c3cccc(N(C)C)c3)c2n1 82155476 RDSPPGQIZXJHFE-UHFFFAOYSA-N 423.860 4.421 0 1 HIAF COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](C)NC23CCCCC3)c2ncccc2c1 43017167 KUSUCJNZQNCWFR-QZTJIDSGSA-N 410.562 4.305 0 1 HIAF CN(C)CC(=O)N1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1 49124628 AJSYPQYHRHMICL-UHFFFAOYSA-N 423.948 4.060 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1 82133377 GLQAAGZIAZUBKM-HNNXBMFYSA-N 404.470 4.013 0 1 HIAF O=C(CSc1ccccc1)N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O 199716050 HFOSNQSKHNLKCR-IBGZPJMESA-N 402.947 4.130 0 3 HIAF CCC1C[C@@H]2C(=O)[C@H](C1)[C@H](c1ccc(O)c(OC)c1)N[C@@H]2c1ccc(O)c(OC)c1 195520822 DJQKXCZAWGHYAP-YZVCBUSHSA-N 411.498 4.122 0 1 HIAF Cc1cc(N2CCN([C@@H](C(=O)NC3CCCC3)C(C)(C)C)CC2)c2ccccc2n1 95570794 UMIBXUNVQBUXSE-QHCPKHFHSA-N 408.590 4.139 0 3 HIAF C[C@H](CCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O 263614356 HSLYPVWJYLQYET-CDVBAKLBSA-N 402.572 4.404 0 1 HIAF in-vitro O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@H]2CCCC[C@H]21 586961408 RAIVQWBAAVFFHW-XYPHTWIQSA-N 416.934 4.306 0 1 HIAF Cn1ccnc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567321 GLLPVYUFCXQDTD-RDPSFJRHSA-N 416.408 4.170 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 587160305 AMRGUSGLHBIVSU-UHFFFAOYSA-N 420.231 4.102 0 1 HIAF O=C(O)c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1F 587000746 KFZQTMNYYMTCRD-OWOJBTEDSA-N 419.206 4.104 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(c3ccccc3)C(=O)C2)N1 587769765 QDHGHRORWQUQNY-RNODOKPDSA-N 403.295 4.145 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Br)ccc(F)c12 587510869 XYGSPTLJXVFEQE-HXUWFJFHSA-N 416.246 4.280 0 1 HIAF CCc1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(Br)c1 587650779 DNWJDKKRONYEKD-UHFFFAOYSA-N 421.678 4.094 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587776571 XJFRRMWSDMSHKW-BNVDUDBASA-N 411.315 4.101 0 1 HIAF CC(C)(C)OC(=O)NC1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCC(O)CC1 587237548 SSCQYLFJKYZRGS-UHFFFAOYSA-N 415.412 4.116 0 1 HIAF COc1cc(C)cc2c1OCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587834884 NCPOTHVIWXCTQI-ODXCJYRJSA-N 406.295 4.466 0 1 HIAF COc1nccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c12 586919555 AFZJOQBRXFRVPX-UHFFFAOYSA-N 417.965 4.252 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)ncc3[nH]2)C[C@H]2CCCC[C@@H]21 586958160 GTPJTEZMSCUROU-BVGQSLNGSA-N 416.934 4.306 0 1 HIAF C[C@@]1(c2cc(Br)ccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540542 PEZUBLQFGXXXOV-XLIONFOSSA-N 412.239 4.427 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152540 PMTLXSITDDMUMD-HUUCEWRRSA-N 405.470 4.143 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)OC(C)(C)C)C2)N1 587767739 KJRVKEDQLUGLGV-HXPMCKFVSA-N 413.331 4.349 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(CCC(F)(F)F)CC2)N1 587709871 OJXJFMGVERQGAG-NSHDSACASA-N 409.265 4.366 0 1 HIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 586880967 RPWOHISJQJBEET-UHFFFAOYSA-N 408.435 4.150 0 1 HIAF Fc1ccc2c(c1)-c1cc(n(C(=S)NC3CCN(Cc4ccccc4)CC3)n1)O2 587876676 TYGDUNWQDMNWTJ-UHFFFAOYSA-N 408.502 4.182 0 1 HIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2nc(Br)c[nH]c-2n1 587121397 AUVMCAYMSRJODG-UHFFFAOYSA-N 424.180 4.489 0 1 HIAF COC(=O)Cc1c(-c2ccccc2N)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987019 JAZKPYNFZVQHHJ-UHFFFAOYSA-N 410.429 4.117 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCCCC(=O)O)c1cccc(F)c1F 963635153 LRMSJMUFQLPYEH-LFVRLGFBSA-N 419.468 4.405 0 1 HIAF COc1cccc([C@H]2c3cc4c(cc3O[C@@H](N3CCCCC3)[C@@H]2C)OCO4)c1OC 16958622 IGAAMAVEJGCBND-NFKSOIJDSA-N 411.498 4.405 0 1 HIAF C1=N\CCOCC/N=C\c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 5597075 YTFNLOFSRQJZAE-OTMNIUQESA-N 415.493 4.108 0 1 HIAF Cc1ccc(C(=O)N2CCOCC2)cc1Nc1cc(-c2cccnc2)[nH]c2nccc1-2 1857751572 PGLCKVOHAVSTTB-UHFFFAOYSA-N 413.481 4.101 0 1 HIAF O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 600653 KSQAOYHTDJHQEM-UHFFFAOYSA-N 407.489 4.337 0 1 HIAF CC(/C=N/OCCO)=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 13809004 BJUOJETWDCUQSI-OUESQWFMSA-N 419.606 4.062 0 1 HIAF COc1ccccc1CN1N=C(c2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C1=O 26572269 HVZVPGFXFPHGPA-OALUTQOASA-N 408.498 4.265 0 1 HIAF O=c1nc(SCc2ccccc2)n(CCc2ccccc2)cc1Cc1cncnc1 26575555 OCCFEMPCRBDQAJ-UHFFFAOYSA-N 414.534 4.159 0 1 HIAF CC(=O)N(C[C@@H]1CN2C(=O)CC[C@]2(c2ccc(Cl)cc2)O1)c1ccc(Cl)cc1 27522427 OBJGXFCRANXXDO-TZIWHRDSSA-N 419.308 4.221 0 1 HIAF O=C(NC[C@H]1OC(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 29130135 HMTTWPQXSLGNRG-NHCUHLMSSA-N 424.403 4.167 0 1 HIAF CC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1ncc(-c2ccsc2)[nH]1 42888421 BNJUPIUAVKHJEN-IBGZPJMESA-N 416.591 4.177 0 1 HIAF COc1cc(CC(=O)NCc2ccc(C(C)(C)C)cc2)c(Cl)cc1OC(C)=O 64446622 WXPDYYKFNAYUFR-UHFFFAOYSA-N 403.906 4.430 0 1 HIAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(Cl)c(F)c3)sc12 64560668 GHMSTTWSEVINEG-NSHDSACASA-N 404.898 4.019 0 1 HIAF CC(=O)NCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc(F)cc2)n1 82164996 DRQWSKNEYGVUSN-UHFFFAOYSA-N 407.474 4.107 0 1 HIAF COC[C@H](C)Oc1cc(/C=C/c2ccc(F)cc2)cc(C(=O)Nc2ccn(C)n2)c1 95598062 PCJDRDWQCZXOQF-APHBUQMISA-N 409.461 4.396 0 1 HIAF Nc1nc2nc(SCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)c2s1 95601035 TZWVRQVXJIDRAG-HNNXBMFYSA-N 409.540 4.106 0 1 HIAF COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2)CC1 96270833 LGHHLNJMNKPPHU-UHFFFAOYSA-N 422.525 4.091 0 1 HIAF Cc1ccccc1-n1ncc2c1C(C)(C)CCN([C@H]1[C@H]3CC4C[C@@H]1C[C@@](O)(C4)C3)C2=O 101668464 MKPLGVXEMMRGTK-QBYVCPELSA-N 419.569 4.244 0 1 HIAF CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc5ccncc45)ccc1c23 169306593 IZENNZNYQVFPJG-UHFFFAOYSA-N 403.463 4.169 0 1 HIAF F[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nc(-c2ccncc2)nc2ccsc12 223686955 YWRBZSJYUOKCPZ-HKUYNNGSSA-N 405.502 4.388 0 1 HIAF CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)c3cccnc23)cc1 473158115 VDUHSAPOKWYXLN-UHFFFAOYSA-N 418.478 4.056 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc2c1 586903173 NWHOSHFGDJHIHS-CZUORRHYSA-N 401.260 4.071 0 1 HIAF Cc1cc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1Br 586975856 GKONUQDWSBKAMW-UHFFFAOYSA-N 424.302 4.284 0 1 HIAF O=C(O)c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1F 586985767 RMDHGYHBILCTRM-QGZVFWFLSA-N 418.266 4.348 0 1 HIAF C[C@@H](c1nc2c(N)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199940 RKVJDHJYAOUBTG-AWEZNQCLSA-N 413.481 4.482 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587229794 CCPFHBKAVNRPSK-WOJBJXKFSA-N 407.514 4.178 0 1 HIAF CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438535 PWGCLQPOKURNJR-UQNRQAKVSA-N 401.503 4.381 0 1 HIAF COC(=O)C(=O)C[C@@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531151 JXJBRZCDFJCRKF-OAQYLSRUSA-N 418.898 4.273 0 1 HIAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1ccccc1 587580378 HTWMRDQKJMVVND-HYBUGGRVSA-N 413.433 4.158 0 1 HIAF COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCCO2 587609506 NDWCYFMXSGSLSN-XUZZJYLKSA-N 420.417 4.265 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1cc2ccccc2o1)C(=O)O 587617916 RDOLKLJQEVQFOY-YKSBVNFPSA-N 416.385 4.166 0 1 HIAF O=C(c1ccccc1OCCOc1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587651972 HXBXGTRKGZGOBF-UHFFFAOYSA-N 420.852 4.196 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Br)N1 587678458 CMPKBJHSHSOSKB-RTHLEPHNSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(C(F)(F)F)cc2)N1 587711802 ILDHPQMBZZGEMY-BMLIUANNSA-N 418.228 4.377 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCNC(=O)OC(C)(C)C)N1 587752573 DSNLVOHCQNMFLR-VOJFVSQTSA-N 401.320 4.252 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3ccnc3)cc2)N1 587753435 ISCLRRNLCGZXPB-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCC3=O)c2)N1 587768188 LGFJUOKEYXQGBU-FKIZINRSSA-N 403.295 4.123 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)c3ccccc3)C2)N1 587770734 SWUCVAWBEFGOPV-SZNDQCEHSA-N 417.322 4.254 0 1 HIAF CC(C)(C[C@@]1(c2cccc3ccccc23)N[C@H](C(=O)O)Cc2cccc(F)c21)C(=O)O 962900184 ICXJLMPIFFZLSU-CPJSRVTESA-N 421.468 4.322 0 1 HIAF COc1ccccc1[C@]1(c2cccc(F)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963024847 MEZYXVQGAGVKBY-LMKMVOKYSA-N 402.469 4.180 0 1 HIAF O=C1c2ccncc2[C@]2(c3c(F)cccc3C[C@H]3CCCN32)c2c(F)ccc(F)c21 963115208 VCJVTCKWOXZMSR-SHACYNPGSA-N 406.407 4.356 0 1 HIAF c1ccc(-c2nc(CN3CCCN(c4nccc5cccnc45)CC3)cs2)cc1 1772600085 KMPNLVRREJEJEA-UHFFFAOYSA-N 401.539 4.466 0 1 HIAF Oc1nc(SCc2ccc(Cl)cc2)nc(SCc2ccc3nonc3c2)n1 1857539482 ZMVZQVICIPTEIF-UHFFFAOYSA-N 417.903 4.351 0 1 HIAF CCN(c1cccc(C(F)(F)F)c1)c1cnc(C(=O)[C@H]2C[C@@H]2C(=O)O)c(OC)c1 1857586998 IPERJOIIXBXGGP-GJZGRUSLSA-N 408.376 4.170 0 1 HIAF CC(=O)O[C@]1(C)[C@@H]2c3cc4oc(-c5ccccc5)cc(=O)c4cc3O[C@@H]2OC1(C)C 2356713549 MEZWCMSJPRUAKQ-CQOQZXRMSA-N 406.434 4.393 0 1 HIAF CC=C(C)[C@@H]1[C@H](C=CC=C(C)[C@H](O)[C@H](C)C(=O)O)[C@@H]2CC=C(C)C[C@@H]2C(=O)[C@@]1(C)O 2356827686 IOLXKDOORRFLDI-USQPMRNDSA-N 416.558 4.075 0 1 HIAF COc1cccc(NC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)c1 6878096 MUPGVBLTBRYXAG-UHFFFAOYSA-N 409.829 4.135 0 3 HIAF Cc1cc(N2CCCC2)nc2ccc(NC(=O)CCC(=O)NC3CCCCC3)cc12 4563849 IHRCROXXMJNPBO-UHFFFAOYSA-N 408.546 4.311 0 1 HIAF CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc21 5058551 HJQVOZSSSQIYSV-DFYVNMARSA-N 418.518 4.324 0 1 HIAF C[C@](CO)(CCCS(=O)CCC[C@@](C)(CO)c1ccccc1)c1ccccc1 28566971 JSOCMLGSQVOMQK-XUEDKKMFSA-N 402.600 4.196 0 1 HIAF C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@H]2N(C)C1 29483828 UDRQASHQXVJFFN-NITLTRETSA-N 410.558 4.029 0 1 HIAF CCCCc1ncc(/C=C(\Cc2cccs2)C(N)=O)n1Cc1ccc(C(=O)O)cc1 29556910 OCDOUZOJVDIBOH-LDADJPATSA-N 423.538 4.145 0 1 HIAF C[C@@H](NC[C@@H](O)C[P@](=O)(O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 31393655 ZODSPDOOCZZEIM-CZUORRHYSA-N 402.258 4.476 0 1 HIAF in-vitro NC[C@@H](c1ccccc1)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 34187056 LNQLQNJWJYFYPW-FQEVSTJZSA-N 413.912 4.362 0 1 HIAF COC(=O)CCNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 38841186 CJQUPGBTPTYESJ-CQSZACIVSA-N 415.317 4.046 0 1 HIAF COc1cc2nc(NCCCCO)nc(NCc3ccc(Cl)cc3)c2cc1OC 82126288 LQPJJWRPCHTKAO-UHFFFAOYSA-N 416.909 4.097 0 1 HIAF Fc1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3C[C@H]2CCCO2)cc1 82185349 MDBYBDJXUODYKW-LJQANCHMSA-N 403.461 4.424 0 1 HIAF O=C([C@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1F 95559683 LZPIQIRKBGRLTO-NZQKXSOJSA-N 402.425 4.343 0 1 HIAF CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H]2OC[C@@]2(CCCc2ccccc2)C[C@H]3[C@@H]1C5 169290809 AFNNIVJCAOZVSR-ZREFVFEESA-N 417.549 4.079 0 1 HIAF CC1=N[C@]2(N=C1N)c1cc(Br)ccc1CC21CCC(OC(F)F)CC1 169708526 BIODWENPZVUOJQ-SYGMWZTRSA-N 412.278 4.158 0 1 HIAF C[C@@H]1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccc(F)cc2)CC1)OCO3 206545398 DEJBMNBBKYKYBW-MRXNPFEDSA-N 410.489 4.374 0 1 HIAF C[C@H]([C@@H]1C[C@@H]1C(=O)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 299848569 SPBCVLSZAPVLJN-FSSWPHPCSA-N 404.591 4.334 0 1 HIAF Cc1ccc(-n2ccnc2SCc2nc3c(S)nc(S)nc3[nH]2)c(C)c1 586967218 ZXNSBIRXIWXEKS-UHFFFAOYSA-N 400.558 4.025 0 1 HIAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)s1 587024280 SMYMNBBCEWFXIB-UHFFFAOYSA-N 400.291 4.659 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 587092050 AITBNLQMCAEVQL-RYUDHWBXSA-N 411.405 4.038 0 1 HIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587115946 GMYJYEOCNCAFQI-UHFFFAOYSA-N 413.403 4.024 0 1 HIAF Cn1cc(C(=O)Oc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cn1 587517693 SFLTURFUZMDGRH-VWLOTQADSA-N 416.477 4.399 0 1 HIAF C[C@@]1(c2cnc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551428 FGWVKOUCRILTJB-LIRRHRJNSA-N 403.221 4.366 0 1 HIAF COCCOc1cccc(F)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556472 JRRKIQOACVUYLB-URXFXBBRSA-N 424.424 4.434 0 1 HIAF CN(CCC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N=O 587569992 HSTDPMNQAFOWOB-NFBKMPQASA-N 419.437 4.038 0 1 HIAF C[C@]1(c2ccc(N3CCOC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584706 APPFODBUGRJNNY-HYBUGGRVSA-N 417.417 4.226 0 1 HIAF COC(=O)/C=C/c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587591830 HUDITUSKHZKAFO-CTNBLBAUSA-N 402.402 4.281 0 1 HIAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598750 VAYSEPHGGXELQD-WVCKHHOPSA-N 410.466 4.482 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)ncnc2Cl)N1 587704280 JBZYPYISBMYUBT-KWKYVRJSSA-N 405.098 4.483 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccn(C)n2)N1 587729104 BTDJSCOPTZHGLI-FKIZINRSSA-N 418.285 4.287 0 1 HIAF CO[C@H](C)COC1CCC(c2nc3cccc(I)c3[nH]2)CC1 587950646 BTQYBBIIKBVACP-PNESKVBLSA-N 414.287 4.245 0 1 HIAF O=C(COc1ccc(Cl)cc1)N[C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2)CC1 621431645 SNZWGPJOBOHRCT-IYARVYRRSA-N 421.324 4.230 0 1 HIAF Cc1oc2ccc(O)cc2c1[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972423 UUBWPDGWBQWLNI-XOBRGWDASA-N 407.800 4.241 0 1 HIAF C[C@@H]1CC[C@]2(C)C(COC(=O)CC(=O)O)=CCC[C@H]2[C@@]1(C)CCC1=CCOC1=O 2356677052 FNONBYOWFSCKDW-WSYSLKOQSA-N 404.503 4.047 0 1 HIAF CN1c2ccccc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1ccc(F)cc1 1494446 AESATWJIMVTHFR-OAQYLSRUSA-N 401.485 4.302 0 1 HIAF O=C(c1cccc(CN2CCN(c3ccc4ccoc4c3)CC2)c1)N1CCCCC1 12356382 QTWVKTIFVJAWQC-UHFFFAOYSA-N 403.526 4.381 0 1 HIAF O=CNCCCCCCN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 13743908 KTVVZLGUFWSVBE-OAQYLSRUSA-N 400.950 4.342 0 1 HIAF Cc1cccc(-c2nc(CCOc3ccc(C[C@@H]4SC(=O)NC4=O)cc3)c(C)o2)c1 26577608 ZFRHDQPMQDCYMW-FQEVSTJZSA-N 422.506 4.474 0 1 HIAF Cc1ccn(-c2ccc(C(=O)N3C=C4CCC(=O)N4Cc4ccccc43)c(Cl)c2)n1 28824040 LQWVHRDICKZHCX-UHFFFAOYSA-N 418.884 4.458 0 1 HIAF CCC[C@@H]1c2ncccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 29050693 PBVMNRPKLPSZNJ-OAQYLSRUSA-N 410.481 4.426 0 1 HIAF CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 39679546 QIZIQMNNPOJZNE-WTTBNOFXSA-N 411.479 4.053 0 1 HIAF Nc1ccccc1NC(=O)/C=C/c1ccc(CNc2nccc(-c3cccnc3)n2)cc1 40936119 FMOCRRKOGCETOK-VAWYXSNFSA-N 422.492 4.385 0 1 HIAF CC(C)(C)c1ccc(OCCCON2C(=N)NC(=N)NC2(C)C)c(C(C)(C)C)c1 45188265 SEIHOIUKEUHJMO-UHFFFAOYSA-N 403.571 4.083 0 1 HIAF O=C(c1ccc(F)cc1)c1cc2c([nH]1)C[C@@H](O)[C@H](N1CCC(c3ccccc3)CC1)C2 73297547 LYNOMCFPGCYDLF-JWQCQUIFSA-N 418.512 4.093 0 1 HIAF CC(C)Cc1nc2c(NCc3cccc(F)c3)ncnc2n1CC[C@H]1CCCN1C 82184539 UGBVLEBGOPLRSY-LJQANCHMSA-N 410.541 4.260 0 1 HIAF OC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 95877192 IIEQDBKKVIBHJT-GSDHBNRESA-N 403.570 4.074 0 1 HIAF CC(=O)O[C@@H](c1ccccc1)[C@H](Cn1ccnn1)c1ccc(Br)cc1 96286429 NYNDDIOBHLATMH-MOPGFXCFSA-N 400.276 4.129 0 1 HIAF O=C(Nc1cccc(Cl)c1)c1c(O)n(Cc2ccccc2)c2c(c1=O)CCCC2 100470524 CUFXGRVESAOVMX-UHFFFAOYSA-N 408.885 4.387 0 1 HIAF CCCNc1nccc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)OC)cc3)C2)c1F 169709717 MHXGJHNMTJFQQL-YJBOKZPZSA-N 416.497 4.117 0 1 HIAF CC(C)Cc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N)n1 224559053 HYOXZVZVSXAOAM-UHFFFAOYSA-N 408.481 4.495 0 1 HIAF O=c1c2ccccc2ncn1CCCCCN1CCN(c2cccc(Cl)c2)CC1 299864584 MNWJCXXZVJULDR-UHFFFAOYSA-N 410.949 4.042 0 1 HIAF Brc1cc2c(cc1/C=C\c1nc3cc4c(cc3[nH]1)OCCCO4)OCO2 586998466 KNONFBVFQORWRA-IHWYPQMZSA-N 415.243 4.386 0 1 HIAF COC(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586998869 QUYIDINLHJAAGP-HYXAFXHYSA-N 401.216 4.011 0 1 HIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(I)cc2[nH]1 587070811 UJZFZEWWXHCJJC-LLVKDONJSA-N 411.674 4.106 0 1 HIAF Nc1ncc(-c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cn1 587253466 AVAFLCQACRKMJS-UHFFFAOYSA-N 402.202 4.310 0 1 HIAF CN(C)/C=C/[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331057 ADQOCLHOAVHFCW-GMRSSGTOSA-N 404.441 4.256 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1cncc(Br)c1C)O2 587371719 MLIZJVPLAVGZHS-OAQYLSRUSA-N 424.298 4.347 0 1 HIAF CC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC(=O)c2cc(C)cc(N)c2O1 587411103 XPYFKWIMKUJDPD-QHCPKHFHSA-N 424.522 4.195 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cc(F)c(F)c(F)c1)CC2=O 587464845 BDYNDAIKUPWOIL-OAQYLSRUSA-N 408.372 4.186 0 1 HIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCN(C(=O)OCc3ccccc3)C1)CC2=O 587474166 CRCDUZMTAPAPOK-VGSWGCGISA-N 409.482 4.337 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(C)n1)([C@@H](O)c1cccc(C)n1)CC2=O 587485815 KWTXGXOABUFNPM-DQEYMECFSA-N 418.493 4.346 0 1 HIAF Cc1cc2c(cc1Br)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587500495 XGXJAQJVEZCLSF-OAQYLSRUSA-N 412.283 4.449 0 1 HIAF COc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1OCCC(C)C 587651982 ILGOKCRMYNNFCJ-UHFFFAOYSA-N 400.862 4.172 0 1 HIAF COc1ccc(CCCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(OC)c1 587929613 YWRAXPYRHYXKHA-UHFFFAOYSA-N 400.788 4.169 0 1 HIAF Cc1cc2c(cc1C)[C@]1(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc31)C(=O)N2 962959072 REBRNJPBVUTHSM-QFIPXVFZSA-N 416.443 4.169 0 1 HIAF O=C(Cc1ccc(Cl)cc1)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21 13455283 OMDXSCVBMWCLNN-LSDHHAIUSA-N 413.688 4.316 0 1 HIAF O=C(O)C[C@](O)(CSCCCCCCc1ccc(Cl)cc1Cl)C(=O)O 13758096 QGRRMRPIDRCWTG-KRWDZBQOSA-N 409.331 4.120 0 1 HIAF c1ccc(CNc2ccsc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)nc1 28570826 ZVVCUVYHNAOYCY-UHFFFAOYSA-N 407.455 4.320 0 1 HIAF COc1cccc(CCNC(=S)Nc2ccc(Br)c(C)c2)c1OC 33712036 WTFKGXHOHIOSAI-UHFFFAOYSA-N 409.349 4.304 0 1 HIAF COc1ccc(CCNCc2coc(-c3ccc(Br)cc3)n2)cc1OC 72184369 UJFWELLCNZTSMJ-UHFFFAOYSA-N 417.303 4.454 0 1 HIAF O=C(NCCOc1ccccc1)[C@H]1CCCN1c1nc(-c2ccccc2F)cs1 82195698 YVJRGKROYSFEEB-HXUWFJFHSA-N 411.502 4.113 0 1 HIAF CC(C)CCNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2 82209492 FBMNXNHNWXSOLF-HXUWFJFHSA-N 410.562 4.063 0 1 HIAF COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)c(OC)n1 117436803 PYDGBRKMKPMMFU-UHFFFAOYSA-N 407.449 4.021 0 1 HIAF Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)Nc2cnn(C)c2)cn1 148755997 HDNWJKMMTZAYSO-UHFFFAOYSA-N 423.860 4.263 0 1 HIAF O=c1c(O)c(-c2ccc(O)c(OCc3ccc(F)cc3)c2)oc2cc(O)cc(O)c12 169353087 GLEDLKNTBJPOCT-UHFFFAOYSA-N 410.353 4.001 0 1 HIAF Cc1cc([C@H](O)C(F)F)ncc1-c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1 169700139 LQFDMNJARJYYBV-QOKNQOGYSA-N 401.388 4.200 0 1 HIAF C[C@H]1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2cccc(F)c2)CC1)OCO3 206545337 WVACORZTRDQIKU-INIZCTEOSA-N 410.489 4.374 0 1 HIAF CC[C@@H](O)CC[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 255219362 IEUNGVZFLKERGL-QWJXAWRDSA-N 422.650 4.135 0 1 HIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NCCc1ccccc1 586989126 XWFFYODBYZDHLI-UHFFFAOYSA-N 408.457 4.053 0 1 HIAF CCOc1ccccc1[C@@](N)(c1nc2cc(Cl)nc(Cl)c2[nH]1)C(F)(F)F 587091112 BMZCETOWHVIXLM-OAHLLOKOSA-N 405.207 4.428 0 1 HIAF COc1ccc2c(c1)c([C@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2-c1ncccn1 587392381 YZRWPDBFZZGPHM-OAQYLSRUSA-N 400.438 4.026 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)NC3CC3)c3ccccc13)CC2=O 587474377 CVGMVBWHPBGLRU-QHCPKHFHSA-N 418.493 4.285 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C)CC2)Oc2ccccc21 587475147 MNYLJRKNBXVRRB-VWLOTQADSA-N 407.510 4.452 0 1 HIAF Cc1ccc(Br)c2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587497178 LARZKNCFPZIXTB-OAQYLSRUSA-N 412.283 4.449 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC 587589762 AERSXHXFCAQJBB-GHTZIAJQSA-N 408.406 4.121 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCN(C)C)N1 587742757 TWWRVQYJALDBSG-RNODOKPDSA-N 407.327 4.152 0 1 HIAF CC1=C[C@]2(CC(=O)N1Cc1ccco1)N[C@H](C)Cc1ccc(F)c(Br)c12 587760038 NSZVIGPBDVSOAY-MPBGBICISA-N 419.294 4.247 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCOCC3)c2)N1 587774884 QBISGVCVGTXFEI-LHSJRXKWSA-N 419.338 4.223 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccccc3c2O)N1 587779410 SCJDSUVTWAHDKJ-WVDJIFEKSA-N 417.278 4.345 0 1 HIAF CC(=O)OC12CC3C[C@@H](C1)C1(N[C@@H](C)Cc4cc(Br)c(F)cc41)[C@@H](C3)C2 587806390 AGQZCPPRMOBUGN-PVIRNKOQSA-N 422.338 4.460 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N(C)C)nc2Cl)N1 587851731 IYQMDUMFJSEPBU-JVXZTZIISA-N 404.736 4.388 0 1 HIAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cc(-c3ccncc3)cs2)N1 962635930 KXQFZMRPVAMERN-AEFFLSMTSA-N 420.412 4.397 0 1 HIAF Cc1ccc(S(=O)(=O)n2cccc2[C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963108555 XWLGMPYDWOTTBF-WMZHIEFXSA-N 410.514 4.283 0 1 HIAF Cc1cc(C)n2nc(-c3ccc(CCCF)cc3)c(CC(=O)N3CCCCC3)c2n1 1772582727 CIGBQKDVLIDREO-UHFFFAOYSA-N 408.521 4.470 0 1 HIAF CNC[C@H](O)c1ccc(O)c2c1C[C@H]([C@H]1OC[C@H](C)c3ncccc31)CC(C)(C)C2 2356361189 WLEJUQSLUFOHJJ-YVPJFDDFSA-N 410.558 4.046 0 1 HIAF O=C(CC[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)NCc1ccc(F)c(F)c1 13596630 BJTBZGSDTRXIDG-KRWDZBQOSA-N 414.496 4.208 0 3 HIAF Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 758491 BROYPRZUMZTGCW-FPOVZHCZSA-N 422.525 4.018 0 1 HIAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1N 767605 OFEYQCKEDOLAPU-UPVQGACJSA-N 415.493 4.076 0 1 HIAF Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)[C@@H](C)Oc1ccccc1)CC(=O)N2 2724127 MCQPCKMHMDYOQK-MZNJEOGPSA-N 418.468 4.472 0 1 HIAF CCCCCNC(=O)Nc1c(OCCCn2nc3ccccc3n2)cccc1N(C)C 13827586 VLKPZPIMEYVDQR-UHFFFAOYSA-N 424.549 4.278 0 1 HIAF COc1ccc2nc(N3CCC[C@H](C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)C3)sc2c1 20113914 XSHLMYLYOHEJJI-MUQADHOPSA-N 401.576 4.462 0 1 HIAF CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(C(=O)O)s1 29463679 XFNZHWXYAMWABJ-UHFFFAOYSA-N 420.498 4.105 0 1 HIAF CC(C)c1nccn1C[C@H](O)COc1ccc(F)cc1C(=O)CCc1ccccc1 73279395 VJUKUWQPMCOHSF-FQEVSTJZSA-N 410.489 4.401 0 1 HIAF CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104003963 GAUKEOYWTNWENU-OAQYLSRUSA-N 403.438 4.257 0 1 HIAF Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N)CC3)c1 142223718 YGXWLBBERBHMTL-JWQCQUIFSA-N 420.578 4.073 0 1 HIAF CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F 142926423 GSSWPNVQSNAXRF-GFCCVEGCSA-N 416.419 4.135 0 1 HIAF COc1ccc(F)c(C(=O)N2CCC(F)(F)[C@@H](Oc3ccc4ccccc4n3)C2)c1 149538370 PCCFUTSTUHACKF-IBGZPJMESA-N 416.399 4.311 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1c(-c2ccccc2)noc1C 169712579 ODOXTRYGHUAHES-YLJYHZDGSA-N 410.470 4.225 0 1 HIAF C[C@H]1C(=O)[C@H](C)[C@H](c2cccc(F)c2)N(C(=O)Cn2ccnc2)[C@H]1c1cccc(F)c1 195399298 RPBVLVICPNKVAG-ZBWOKKAISA-N 423.463 4.327 0 1 HIAF CCc1cc2c(=O)c(-c3nc(C)cs3)c([C@@H](N)Cc3ccc(O)cc3)oc2cc1O 206746502 XZOZOYKVURKYKF-KRWDZBQOSA-N 422.506 4.441 0 1 HIAF COc1ccccc1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988282 IDLVWFRVNRFYRV-UHFFFAOYSA-N 410.429 4.342 0 1 HIAF N[C@@H](N=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081371 PCNQNAQLPQBMHL-SFHVURJKSA-N 403.833 4.317 0 1 HIAF COc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(I)c1 587180359 OZKYIESGOAKGCT-UHFFFAOYSA-N 403.582 4.031 0 1 HIAF CCOC(=O)Cc1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587218274 HNYCHHFKGWYUBC-QHCPKHFHSA-N 413.477 4.188 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587230186 FXWZZBNEQKWGKG-OALUTQOASA-N 407.514 4.178 0 1 HIAF COc1ccc(N)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1OC 587332295 FXSIVEBBTFYQQM-GBXCKJPGSA-N 423.440 4.405 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O 587418658 AGZGRMJSYUMEFE-JXFKEZNVSA-N 400.356 4.388 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422844 VDVBYOXBMCUDET-IIBYNOLFSA-N 420.383 4.310 0 1 HIAF COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)[C@@H](C2)C3=O 587423014 SFVYFXWMWOOCDW-SBUREZEXSA-N 423.852 4.261 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C(Br)=COc4cc(F)ccc41)[C@@H](C2)C3=O 587429629 VZRDKRVZNUDXIA-ORAYPTAESA-N 403.203 4.106 0 1 HIAF CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587519353 ZWVPVOSAHOFRIK-XHNJZIHCSA-N 413.514 4.068 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOC[C@@H]2OCc1ccccc1 587617049 OJAOUBUBZCDZCC-HWBMXIPRSA-N 418.445 4.098 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(Cl)cc3)n2)N1 587700235 SQBQDKJFQFQCDB-MGNBDDOMSA-N 421.701 4.446 0 1 HIAF CC(=O)NCCc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587753524 HMNQWPOLDOCWEN-LRTDBIEQSA-N 419.338 4.065 0 1 HIAF Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccccc1 587756861 FYEFAVOYBOTJRS-MPBGBICISA-N 415.310 4.275 0 1 HIAF COC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804960 GATHJGVOURNHAZ-KQHSUYLTSA-N 406.295 4.175 0 1 HIAF COc1ccccc1[C@@]1(C2CCC2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957370 BNOIQFNINPMWKK-IIBYNOLFSA-N 407.844 4.269 0 1 HIAF COc1cc2c(cc1OC)[C@@H](c1ccc(C)s1)N(C(=O)c1ccccc1N)CC2 963159001 UGJLCHGEQSUHRJ-QFIPXVFZSA-N 408.523 4.444 0 1 HIAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC(O)CC1 1772599454 CERBTCPPZKOLBE-UHFFFAOYSA-N 417.387 4.038 0 1 HIAF O=C(Cc1ccccc1)N1N=C(c2ccc(Cl)cc2Cl)C[C@]1(O)C(F)(F)F 1857752909 GEINPVXLESUMHV-KRWDZBQOSA-N 417.214 4.423 0 1 HIAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]23C)[C@@H](OC)O1 2356336309 LGITXCALUZAZQD-LLNVUYNNSA-N 424.578 4.444 0 1 HIAF COC1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1 12051977 XCPULWJBDZLAJF-UHFFFAOYSA-N 422.569 4.024 0 3 HIAF C[C@@H](c1ccccc1)N1C[C@H]2CCCN2c2cc(Br)ccc2S1(=O)=O 61944695 HYHZQJJFICKXKO-WMLDXEAASA-N 421.360 4.183 0 3 HIAF COc1cc2cc(C(=O)N[C@H](C)c3cccc4ccccc34)c(N)nc2cc1OC 95570050 SMRGDRXOPYCHTR-CQSZACIVSA-N 401.466 4.478 0 3 HIAF CCCCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1 95601667 FDBFKDJIOVZDLE-QHCPKHFHSA-N 414.505 4.251 0 3 HIAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(Br)cc2)cc1OC 6006755 JXGLEVMVAOLYNY-DOTOQJQBSA-N 405.288 4.041 0 1 HIAF Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cc(Br)ccc1F 6721490 RZIWXSFPHRTJOJ-UHFFFAOYSA-N 404.239 4.330 0 1 HIAF COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1 13648546 KRIXHIHYAWAVJT-SDHSZQHLSA-N 403.522 4.135 0 1 HIAF O=S(=O)(c1ccc(C(F)(F)F)cc1)n1cc([C@H]2CCCNC2)c2ccccc21 28527036 IESOOSVTIWWTHP-AWEZNQCLSA-N 408.445 4.364 0 1 HIAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN[C@H]3CCCC[C@@H]32)cc1 36221741 KGERRRVIMYMABD-SDHOMARFSA-N 405.586 4.474 0 1 HIAF Cc1ccc(C(=O)CSc2nc(CN3CCCc4ccccc43)c(C)c(=O)[nH]2)cc1 72175800 FOORNOHDGQRDGG-UHFFFAOYSA-N 419.550 4.315 0 1 HIAF CN(c1ncnc2c1ccn2Cc1ccccc1)C1CCN(Cc2cscn2)CC1 84615148 OQWZLXKKFKPXQR-UHFFFAOYSA-N 418.570 4.037 0 1 HIAF CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(N1CCCCC1)S2 96938422 YJYYXTABOIIPEB-UTKZUKDTSA-N 403.548 4.198 0 1 HIAF OC1(c2ccccc2)C[C@@H]2CC[C@@H](C1)N2CCCC1(c2ccc(F)cc2)OCCO1 102937561 FBUQIOZUBBLBJP-GOTSBHOMSA-N 411.517 4.320 0 1 HIAF O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(c3ccccn3)CC2)c(F)c1 103245469 LCPUAFRUMAETRI-FMIVXFBMSA-N 402.473 4.199 0 1 HIAF O=C(O)CCn1cc(-c2cc(Cl)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144875628 WHSDYLUXQCKJHW-IBGZPJMESA-N 422.790 4.457 0 1 HIAF Cc1nc([C@H]2CC[C@@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)oc1C 145055789 CCMWOXOYXDGYRI-KBPBESRZSA-N 403.433 4.136 0 1 HIAF Cc1cccc(-c2nc(C[S@](=O)CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)c1 169298723 CAYQJFAJADNEHO-AGFNESPPSA-N 402.560 4.148 0 1 HIAF CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 169349024 MKGFWLZEIHOFSB-QGZVFWFLSA-N 408.376 4.499 0 1 HIAF COc1ccc(C=O)c2cc(-c3nc4cc(S(=O)(=O)C(F)(F)F)ccc4[nH]3)oc12 586904509 VZXHMJFOOKRYMM-UHFFFAOYSA-N 424.356 4.091 0 1 HIAF Cc1nn(Cc2nc3cc(F)cc(Br)c3[nH]2)c(C)c1Br 586979264 UWDMHJCEFLHXIW-UHFFFAOYSA-N 402.065 4.089 0 1 HIAF Clc1c[nH]c2nc(-c3cc(Br)cnc3NCc3ccccc3)nc-2n1 586999996 ISHWHALFKTVSGY-UHFFFAOYSA-N 415.682 4.395 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587006615 JVMBJHRFFBGSTL-UHFFFAOYSA-N 405.639 4.309 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587016327 KAPUMIJZCWNRIK-GFCCVEGCSA-N 408.277 4.087 0 1 HIAF c1ccn(-c2sc3c(c2-c2nc4cc(CN5CCOCC5)ccc4[nH]2)CCC3)c1 587033116 TVSARKUCVAXUEP-UHFFFAOYSA-N 404.539 4.403 0 1 HIAF Cc1c(Br)cc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1C 587228956 VFJSZMAEFGDANP-UHFFFAOYSA-N 402.292 4.411 0 1 HIAF Nc1cccc(C(=O)O)c1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587248394 OTMFNRIROZMRHM-UHFFFAOYSA-N 416.153 4.171 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)O)Oc2ccc(Cl)cc21 587462430 OQVUNZULMYHJOV-WIYYLYMNSA-N 402.830 4.095 0 1 HIAF COC(=O)c1ccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508562 AWVZWDDFXHOLHC-DEOSSOPVSA-N 407.466 4.105 0 1 HIAF C[C@@]1(c2ccc(N3CCCC3)nc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573525 ZEHXZXLGVUYAQZ-RDPSFJRHSA-N 420.440 4.404 0 1 HIAF COc1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1)O[C@H](C)C2 587617473 PUMWKIXRBPETAE-FYGPSGDNSA-N 404.418 4.427 0 1 HIAF Cc1c(Cl)cccc1NC(=O)CCC(=O)n1ncc2ccc(Cl)cc2c1=O 587651536 VXHBTTLBJLAJTE-UHFFFAOYSA-N 404.253 4.071 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587744202 QZRJLPYLIWJFHZ-PRWKNARSSA-N 403.295 4.271 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cnc(N)nc2)N1 587746031 LBKIDRFTGWSHPV-JEOXALJRSA-N 413.294 4.251 0 1 HIAF CCCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587765658 CZULSJTVJXAORH-ODXCJYRJSA-N 403.295 4.123 0 1 HIAF COC(=O)c1c(C)[nH]c2c1[C@]1(CCC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962699476 IIXOTZZIQCQNCV-CMJOXMDJSA-N 414.546 4.192 0 1 HIAF Nc1c(C=O)ccc2c1C(=O)c1ccccc1[C@]21c2c(F)cccc2C[C@H]2CCCN21 963102719 FYSBIUOXFXQVEZ-WGDIFIGCSA-N 412.464 4.077 0 1 HIAF Cc1cn(C(C)(C)C)cc1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963146465 NGYCKCZOYVZEMF-JKSUJKDBSA-N 419.547 4.344 0 1 HIAF COC1([C@]2(C)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)CCC1 963854342 OMUVJBHXKCTGAN-VGSWGCGISA-N 403.519 4.416 0 1 HIAF COc1cc(NC(=O)C(=O)c2ccc3c(c2)c2ccccc2n3C)cc(OC)c1OC 1772621510 JGEMGTQQFBYISB-UHFFFAOYSA-N 418.449 4.179 0 1 HIAF COc1cc2nccc([C@H](N)c3ccc4c(c3OC)C=CC(C)(C)O4)c2cc1OC 1772632052 XVUKAIRCLASRBZ-QFIPXVFZSA-N 406.482 4.493 0 1 HIAF COc1ccc(Cl)c(-c2nnc3c(C)nc4ccc(C(=O)NC(C)(C)C)cc4n23)c1 1857629156 FXMFMHPARMOARQ-UHFFFAOYSA-N 423.904 4.443 0 1 HIAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)c1c(O)c(-c2ccc(O)cc2)cn(O)c1=O 2356797998 OSEPAFFUHRIZFR-PXTVJIAFSA-N 409.482 4.221 0 1 HIAF COc1ccc(CN2C(=O)c3c(c(C)n(C)c3C)[C@H]2C(=O)NC2CCC(C)CC2)cc1 3030836 XNJQTBODASXSKM-LTSZJICASA-N 423.557 4.043 0 3 HIAF CCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn23)CC1 4980546 KNLBJJWWKPSMLJ-UHFFFAOYSA-N 401.489 4.344 0 3 HIAF COc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccc(OC)c3ccccc23)cc1OC 61902858 IYHGZMIQFVPYAZ-RUZDIDTESA-N 420.509 4.469 0 3 HIAF O=C(NCC1CCCCC1)c1cc(-c2cc(F)ccc2OC[C@@H]2CCCO2)n[nH]1 61908150 WVMXQFZRZXXLJY-KRWDZBQOSA-N 401.482 4.084 0 3 HIAF CCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 13859849 XIIITWQEAPOZLF-RJGXRXQPSA-N 417.461 4.360 0 1 HIAF C/C=C/c1cc(OC)c(O[C@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 14677114 FLBWVIKFCMUTDS-IPHDZNCISA-N 418.486 4.264 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H]3CCCC[C@@H]3O)CN(C)[C@H]1C2 27518275 GSCVQDHIWDOSEW-MAMMYTCMSA-N 410.558 4.029 0 1 HIAF O[C@H](COc1ccccc1-c1nc2ccccc2o1)CN1CCC[C@@H]1c1cccnc1 28972843 FNEBLCTZWCYYMQ-SIKLNZKXSA-N 415.493 4.467 0 1 HIAF C[C@@H]1C[C@H](OC2CCCCC2)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40402527 MTSBFCKHSKFLIM-KDOFPFPSSA-N 406.914 4.014 0 1 HIAF COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1 40567294 UEYHBSRIZRVAPF-UHFFFAOYSA-N 410.489 4.129 0 1 HIAF CC(C)c1cc(C(=O)N2Cc3ccc(OCCNC4CCCC4)cc3C2)c(O)cc1O 58555051 IVKPVAABBQNPCR-UHFFFAOYSA-N 424.541 4.288 0 1 HIAF O=C(c1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95878317 GEDLLFRQMJGBKD-AGILITTLSA-N 402.469 4.483 0 1 HIAF CCOc1ncc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 226077460 DQXRZOLGSQYVPN-BJLQDIEVSA-N 403.482 4.101 0 1 HIAF CC1CCC(NS(=O)(=O)Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC1 586952998 PHKTXWOZVKAGGK-UHFFFAOYSA-N 409.861 4.233 0 1 HIAF N[C@@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(Br)cc1F 587143185 ZTMWVVGHANLDOS-JTQLQIEISA-N 404.070 4.409 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(Cc3c(F)cncc3Cl)nc2c1 587175428 DLJSTYDKBHEOTQ-UHFFFAOYSA-N 412.646 4.280 0 1 HIAF CCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587346230 IFPVISOVZKAZSF-URXFXBBRSA-N 403.409 4.300 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(I)c1)CC2=O 587473236 YRPNHOQLCOOKLA-QGZVFWFLSA-N 424.234 4.361 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(O)c2C(=O)c2cccc(O)c21 587475910 BBYDVYAWWHUEGT-RUZDIDTESA-N 416.429 4.209 0 1 HIAF C[C@@]1(Cn2ccc(C(F)(F)F)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554153 HSXOSFAQTIYNJZ-APWZRJJASA-N 404.344 4.028 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)nc(N2CCCC2)c1 587569055 KAWBRKUUVVPING-NFBKMPQASA-N 406.413 4.229 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2N2CCOCC2)N1 587723591 XNYKBHGURUUAFF-HXPMCKFVSA-N 423.301 4.188 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)nc2/C=C/N(C)C)N1 587744461 BHFPAEMANYKIFR-XTGWTQTCSA-N 420.326 4.019 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2cccnc2)N1 587767970 ZIHVEBANYTUGQD-NSPYISDASA-N 401.283 4.007 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccc4c3n(c2=O)CC4)N1 587794484 VGTGYPWNUYIGOZ-NSPYISDASA-N 413.290 4.083 0 1 HIAF COc1ccc2[nH]c(O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587800641 BZQGJRVYWIMUBQ-NIVTXAMTSA-N 405.267 4.407 0 1 HIAF O=C(c1ccn(COc2cccc(Cl)c2)n1)n1nc2cc1Oc1ccc(F)cc1-2 587874415 ZKGNUTNLKPBGBC-UHFFFAOYSA-N 410.792 4.370 0 1 HIAF COc1ccc(CCCc2nc3cccc(I)c3[nH]2)cc1OC 587925031 IWTYGRNWCVBVAD-UHFFFAOYSA-N 422.266 4.360 0 1 HIAF COc1cc2c(cc1OC)[C@@H](c1c(Br)cccc1N(C)C)N(C)[C@H](C)C2 962568216 DRIPPAKSYFKIDQ-ASSNKEHSSA-N 419.363 4.498 0 1 HIAF Cc1cc([C@@]2(c3ccc(F)c(F)c3)NC[C@H]3CC(=O)N(C)c4cccc2c43)ccn1 963028447 PCOVOVWVFUKRIA-OYLFLEFRSA-N 405.448 4.013 0 1 HIAF C[C@@H]1CC(=O)CC(C)(C)[C@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963167236 DRVLTVJQMUYQCC-GSNHRHSFSA-N 403.828 4.178 0 1 HIAF O=S(=O)(NCc1ccco1)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1C(F)(F)F 1772621797 ZBPOEOJUGLPFAD-DCGLDWPTSA-N 414.449 4.377 0 1 HIAF O=C(N[C@@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccccc2F)cc1 1857546039 PLNKYYLWVNSVKS-QHCPKHFHSA-N 413.452 4.371 0 1 HIAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)c(Cl)[nH]1 1857566830 YXFWGLRTTMRGLM-OAHLLOKOSA-N 422.316 4.326 0 1 HIAF CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)c2ccccc2)cc1 1857766761 WPZBJEFZMBWZJS-DEOSSOPVSA-N 418.537 4.073 0 1 HIAF CC(C)CC(=O)OC[C@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1[C@H](O)C[C@H]1C(=O)OC[C@H]12 2356790083 FBWLXVATYBNVBV-SXNMGICESA-N 420.590 4.359 0 1 HIAF CC(C)CCCCCCCCC[C@]1(O)C=C[C@H]2N(CCCCNC(=N)N)CCCN21 2356827909 IQMRXJMUTRVBJS-UPVQGACJSA-N 421.674 4.009 0 1 HIAF CCOC(=O)C1=CC[C@@H](c2cccc(Cl)c2)N(S(=O)(=O)c2ccc(C)cc2)C1 34131779 QAOHXBBOMINOJS-FQEVSTJZSA-N 419.930 4.274 0 3 HIAF Cc1cccc(N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccco3)CC2)c1C 95568061 FTVAMHIRNVGSCP-XMMPIXPASA-N 403.526 4.076 0 3 HIAF COc1cc2nc(C(C)C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC 96284507 QPUARXBBBJKJPI-UHFFFAOYSA-N 422.529 4.106 0 3 HIAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccccc1F 4053819 XGBSFNOGSUNUPL-ISKFKSNPSA-N 418.468 4.285 0 1 HIAF CC(=O)Oc1ccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc1OC(C)=O 5883422 BVIKBMYJXPYNNC-JXMROGBWSA-N 405.406 4.181 0 1 HIAF C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCC3)n1)c1ccccc1 12365507 TWWUNSJOKCOGKZ-INIZCTEOSA-N 415.472 4.490 0 1 HIAF O=C1c2ccccc2C(=O)N1CCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1 13487265 MKIPKEANVGLYQX-UHFFFAOYSA-N 403.457 4.082 0 1 HIAF investigational Cc1cc(=O)c(-c2ccc(Br)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581183 WFHGNFDDTVLOEU-UHFFFAOYSA-N 419.296 4.448 0 1 HIAF COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2O)nc2ccccc12)c1ccccc1 13762402 KEYQGDUYZKPIHP-HSZRJFAPSA-N 412.445 4.252 0 1 HIAF CC(=O)Nc1cccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)c1 14957507 GJOXZVUGAHXZAU-FQEVSTJZSA-N 400.482 4.137 0 1 HIAF Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2nccs2)c1C1CCNCC1 15727105 LEABYQIDUNVNHH-UHFFFAOYSA-N 401.923 4.010 0 1 HIAF CC(=O)N[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O 28708270 HDEFPXNHLSZCAE-QFIPXVFZSA-N 416.477 4.005 0 1 HIAF O=C(O)c1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 29476023 PXJPTTIMVOXZBL-PKNBQFBNSA-N 421.815 4.442 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)O)cc1C 33007281 VGGPOYNLXFTYIG-CQSZACIVSA-N 402.516 4.039 0 1 HIAF CC(C)C(=O)SCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C 36472680 MVZLNNZEZVFCRN-HNNXBMFYSA-N 402.601 4.271 0 1 HIAF Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(F)cccc2c1=O 40379540 QMDIXUJXXUMWBD-UHFFFAOYSA-N 407.489 4.135 0 1 HIAF COc1ccc(-c2cc(-c3ccccc3)no2)c(OC[C@H](O)CN2CCCCC2)c1 71294630 ASPDVKYIJNFYNH-LJQANCHMSA-N 408.498 4.243 0 1 HIAF Cc1ccccc1-n1c([C@H](C)Nc2ncnc3[nH]cnc23)cc2cccc(C)c2c1=O 88345698 ROLCEJORSNBVLQ-INIZCTEOSA-N 410.481 4.447 0 1 HIAF CC(C)OC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 96286047 FWECVAAARPJXSH-QGZVFWFLSA-N 408.497 4.292 0 1 HIAF O=C1c2ccccc2C(=O)N1CCCN1[C@@H]2CC[C@@H]1c1c([nH]c3ccc(F)cc13)C2 100753623 UWOJGRHXHUGQNA-QVKFZJNVSA-N 403.457 4.055 0 1 HIAF O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 103226457 TTZOAQGGHNXSCB-QHCPKHFHSA-N 424.834 4.431 0 1 HIAF COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2C(F)(F)F)cn1 103252882 QXXIYNYAUZDAOY-UHFFFAOYSA-N 408.401 4.242 0 1 HIAF COc1ccc(CN[C@H](CN2CCC(N3CCCCC3)CC2)c2ccccc2)cc1 116238796 VJZNTQJUCSGWKO-AREMUKBSSA-N 407.602 4.476 0 1 HIAF CCOc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1 205927137 QDFOKEWPQMANBZ-UHFFFAOYSA-N 404.348 4.088 0 1 HIAF C/C=C/c1cc(OC)c(O[C@H](C)C(=O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 238740149 STQNCEXOANEFDF-SBDDDAINSA-N 402.443 4.110 0 1 HIAF CCOC(=O)CC[C@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989911 SEPIUEVDYJVAHW-CQSZACIVSA-N 403.434 4.168 0 1 HIAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)OCCO3 587091016 FCCZXEUNOHOPCD-UHFFFAOYSA-N 419.281 4.356 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2ccc(Cl)nc2[nH]1)c1cc(F)ccc1F 587140760 PUKQNGXYMLIMQV-UHFFFAOYSA-N 420.828 4.357 0 1 HIAF Cc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cc1Br 587234540 OTSGVCMLJQGPMS-UHFFFAOYSA-N 424.339 4.289 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C(Oc4ccccc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O 587454767 XUTLDWFDDSNDIN-UQBPGWFLSA-N 414.413 4.357 0 1 HIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(NC(C)=O)cc1)CC2=O 587470364 SVYAUYXFVQZAHX-XXFRDUSWSA-N 408.498 4.239 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccccc1C)CC2=O 587480463 JXCRDCRENJKCAW-XMMPIXPASA-N 410.466 4.036 0 1 HIAF C/C(=C\[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587572510 PQCQMPUCJMPDLE-KOGVHKHXSA-N 402.450 4.110 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCN(Cc2cccnc2)CC1 587583787 UWVKUDYDKCUJNA-RCZVLFRGSA-N 416.477 4.030 0 1 HIAF O=C(O)c1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589322 NZPWZWOUZFGGOS-XMSQKQJNSA-N 401.374 4.275 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(Cl)c3)n2)N1 587697499 GSHJGMAFZRWRAP-YPMLDQLKSA-N 421.701 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(c2nccn2C)N1 587727251 NCSUCYZWLBSZLQ-YUNKPMOVSA-N 418.285 4.287 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)sc3c2CCN(C)C3)N1 587854698 RYSJKLHLWXLRMJ-APBUJDDRSA-N 424.383 4.018 0 1 HIAF COc1ccccc1[C@@]1(c2ccccc2Cl)NCCc2ccc(C(=O)N(C)C)cc21 962933980 IEVWGPTYUPUEDG-RUZDIDTESA-N 420.940 4.488 0 1 HIAF CNc1ccc([C@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1N 962951358 GQFSBICDIGJURM-FQEVSTJZSA-N 405.464 4.244 0 1 HIAF O=C(OCc1ccccc1)N1CC[C@]2(C1)c1ccsc1CCN2Cc1cccnc1 963003954 FBSVRBFEODWMKX-DEOSSOPVSA-N 419.550 4.439 0 1 HIAF O=C(O)CCCC[C@@]1(c2cccc(C(F)(F)F)c2)NCCc2c(C(=O)O)cccc21 963126570 VYUJNKUAJBMHCK-NRFANRHFSA-N 421.415 4.438 0 1 HIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(-c3c(F)cccc3F)o2)N1 963227668 QPGVMWMATJCGNV-XMSQKQJNSA-N 406.388 4.461 0 1 HIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](Cc2ccccc2)(c2ccc(O)cc2)N1 963236374 WSAVEROYXFULPE-AZGAKELHSA-N 410.473 4.026 0 1 HIAF O=C(NCCCc1ccccc1)[C@H]1CCC2=Nc3ccc(Br)cc3CN21 1857650267 DVHIHSWKQUMWTD-LJQANCHMSA-N 412.331 4.206 0 1 HIAF Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2ncnc(N3CCc4ccccc4C3)c12 2931574 XYUZNDXOEOCCMQ-OAHLLOKOSA-N 406.555 4.435 0 1 HIAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3ccccn3)nc21 3832361 UVQZXQCNEXGALO-UHFFFAOYSA-N 412.280 4.309 0 1 HIAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc(OCC)c1 4043207 FOHGETOOEMEWIG-GMAHTHKFSA-N 409.530 4.159 0 1 HIAF CCOC(=O)CCCCOc1ccc2c(CC(N)=O)c(C)n(Cc3ccccc3)c2c1 13445758 HMGIRINHBSOIHC-UHFFFAOYSA-N 422.525 4.138 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@@]4(C)[C@@H]3CC[C@]12C 26384789 JPOAJVXSZNVFCE-HYLAELTKSA-N 406.586 4.282 0 1 HIAF O=S(=O)(CC(F)(F)F)N(Cc1cncnc1)c1cccc(Oc2ccccc2)c1 28389935 AGKRACHGZNPIHC-UHFFFAOYSA-N 423.416 4.168 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCOCC2)cn1 40576907 WZWZJPBLUFHIEW-UHFFFAOYSA-N 422.481 4.090 0 1 HIAF Cn1cccc1Cc1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)n1 42988696 MNOONXYZUAAMRR-UHFFFAOYSA-N 421.497 4.283 0 1 HIAF CCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(-c2ccccc2)cc1 82153309 LRGPXHAFZMABET-UHFFFAOYSA-N 416.525 4.177 0 1 HIAF COc1ncccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1 96168787 AMXSMCMJWXRVRI-UHFFFAOYSA-N 413.481 4.143 0 1 HIAF COc1ccc(OC[C@H]2c3cc4c(cc3CCN2C(=O)c2ccccc2)OCO4)cc1 96906954 GBKRSFKDSZQYOZ-QFIPXVFZSA-N 417.461 4.243 0 1 HIAF c1cncc([C@@H]2CCN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C2)c1 139790575 CYVNIVHHKZAVTN-HXUWFJFHSA-N 408.509 4.018 0 1 HIAF c1cc(Nc2cc(C3CCCC3)[nH]n2)nc(Nc2ccc(N3CCOCC3)cc2)n1 203005448 JFHCNUXVKFKFBM-UHFFFAOYSA-N 405.506 4.181 0 1 HIAF CC(C)Cc1cc(CNC(=O)C2[C@@H]3CN(CCC(C)(C)C)C[C@@H]23)nn1-c1ccccc1 220239913 DOKOGLOPIXTMOO-DHIUTWEWSA-N 422.617 4.301 0 1 HIAF O=S(=O)(Cc1nc2cc(Cl)c(F)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950654 JCDOCOHHEBLNCV-UHFFFAOYSA-N 422.913 4.288 0 1 HIAF [O-][n+]1ccccc1SCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586968769 COKRKULDXFYEHV-UHFFFAOYSA-N 404.211 4.270 0 1 HIAF Cc1ccc2c(ccc3nc([C@@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c32)n1 587038897 UVFYCXSWLHXLSP-GFCCVEGCSA-N 404.499 4.167 0 1 HIAF O=S(=O)(Nc1cc(-c2nc3cccnc3[nH]2)ccc1Cl)c1ccc(F)cc1 587170777 JUMRNYRDDBUKEI-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF CC(C)[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)N(C)C(=O)OCc1ccccc1 587198074 SKTITIZOZXTPTC-AWEZNQCLSA-N 407.396 4.289 0 1 HIAF COC(=O)[C@H]1CC(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587363765 UQBUVZCXQZZFHN-KRWDZBQOSA-N 401.418 4.429 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1ccnc1)(c1ccccc1Br)O2 587376026 GRIYLWHHGQJMOV-HXUWFJFHSA-N 412.287 4.097 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cc(-n4cccn4)ncn3)cc1)O2 587393067 YPGMMPAQSOKVEO-FQEVSTJZSA-N 413.437 4.052 0 1 HIAF COc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402697 GMDCEQZKOBMWBG-DEOSSOPVSA-N 403.434 4.193 0 1 HIAF COC(=O)c1ccc(COc2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)o1 587405019 UMROYIJSWNREQQ-NRFANRHFSA-N 407.422 4.242 0 1 HIAF CCOc1cc(Br)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1O 587410967 APRBFTAMWKYPBX-BLVKFPJESA-N 405.244 4.051 0 1 HIAF CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417587 CKLHENRNWNEEFZ-STSQHVNTSA-N 414.885 4.277 0 1 HIAF CCOC(=O)c1ccc(-n2cccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587429882 DLRKVPHHQNXUHE-WZONZLPQSA-N 403.434 4.151 0 1 HIAF O=C(O)CC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568089 CRLWYTSTYRJGEK-NZQKXSOJSA-N 408.381 4.253 0 1 HIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)=O 587600738 POQPZERFSPJRAC-OFNKIYASSA-N 406.390 4.029 0 1 HIAF Cc1c(CC(=O)c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649368 SSNCDCHUZJPVMW-UHFFFAOYSA-N 406.301 4.068 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 587701704 CFZYUMFYOYDIBC-VPTHRUTESA-N 423.717 4.455 0 1 HIAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O 587745134 VFZWSAAPAPKEBV-GIPWTMENSA-N 421.310 4.353 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(C(N)=O)CC[C@@]2(C)C3(C)C)N1 587751329 XUICUWLYDPOXQW-BSWYJSDQSA-N 409.343 4.019 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCc2ccccc2)N1 587758533 XWYBZGHMUHQUSA-XCLFUZPHSA-N 405.311 4.044 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc3ccccc3c12 587792653 LVTUBVPALLZHQM-WIUDPPPLSA-N 411.274 4.471 0 1 HIAF COC(=O)[C@@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587804805 FTBSEEPIKACLBR-XCLFUZPHSA-N 406.295 4.124 0 1 HIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O 587808908 RHROQKFQYAPRQB-PRWKNARSSA-N 422.294 4.320 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3c(c2)CCCC3)N1 587829215 RBPFDGMYUVONAF-GTJPDFRWSA-N 418.306 4.329 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc2c(c1)OCO2 587862682 VVOXZTVZNLQFPZ-UHFFFAOYSA-N 420.343 4.025 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c2c1 587930378 ARZRJVGUPIHGCI-UHFFFAOYSA-N 408.479 4.405 0 1 HIAF CCOC(=O)c1cc(OCC)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1OCC 587935837 QUDVZVRHDBEISE-UHFFFAOYSA-N 400.475 4.007 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5CCC(=O)[C@H]5C)[nH]c4c3)o2)cc1 587960749 BBWNIABXVMUBAH-ZFWWWQNUSA-N 402.454 4.446 0 1 HIAF COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)NCCc3ccc(F)c(C)c32)cc1 962093008 OHWQJXMOLINFKW-AREMUKBSSA-N 423.528 4.497 0 1 HIAF O=C(Cn1cc(-c2ccc(-n3ccnc3)cc2)nn1)Nc1cccc(Cl)c1Cl 1772587357 MYHOVNKXYPEQIW-UHFFFAOYSA-N 413.268 4.076 0 1 HIAF O=C(O)C[C@@H]1CCN(C2CCC(F)(F)CC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356305782 FVMDCXVHQGUIRS-UONOGXRCSA-N 409.452 4.235 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1C 101417743 KKAKZTLYKANGNB-JZXOWHBKSA-N 412.490 4.057 0 1 HIAF NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 28825931 FCYDDJQPANALIH-AREMUKBSSA-N 415.581 4.381 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1c(C)c(-c2ccc(C)cc2)nn1C 103193636 HQUXDPLSULSMJN-RCCKNPSSSA-N 406.482 4.443 0 1 HIAF CCCNc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl 28232266 HDMKBOBLEBMSNP-QGZVFWFLSA-N 401.938 4.175 0 1 HIAF FC1(F)Oc2ccc(Nc3nnc(-c4cccnc4NCc4ccccn4)o3)cc2O1 28570363 YYNJAFCQZLUROS-UHFFFAOYSA-N 424.367 4.204 0 1 HIAF CN(c1ccncc1)c1nc(-c2cc(Br)ccc2F)nc2nccnc12 28822256 HUUGYDFRGOYRMQ-UHFFFAOYSA-N 411.238 4.151 0 1 HIAF COc1cc(C=C[C@]23NC(=O)CN2c2ccccc2C3(C)C)ccc1OCC(C)C 2356740874 QGTVPTQVTVJGKZ-VWLOTQADSA-N 406.526 4.367 0 1 HIAF CCCCN1C[C@H](c2ccc(OC)cc2)[C@@H](CC(=O)Nc2ccc(OC)cc2)C1=O 61923608 ORIAABKLSYOGOR-FGZHOGPDSA-N 410.514 4.075 0 3 HIAF C[C@H](Nc1ccc(C(N)=O)c2[nH]c3cc(-c4ccnc(N)n4)ccc3c12)C(C)(C)C 72125172 WIYHOPZLDKFRMX-LBPRGKRZSA-N 402.502 4.306 0 1 HIAF O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCc2cnc[nH]2)cc1 146412897 XHLLENFVPJAWDR-UHFFFAOYSA-N 412.493 4.367 0 1 HIAF CCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@H]4CC[C@@H]3N4)ccc21 96175260 VBKANYWYTNJEAU-UZLBHIALSA-N 419.550 4.335 0 1 HIAF O=C(O)CCCSc1nc2ccccc2n1Cc1cc(Cl)cc2c1CC(=O)N2 96270254 AVHMLVAFZPEPOV-UHFFFAOYSA-N 415.902 4.190 0 1 HIAF O=C(O)[C@@H]1Nc2c(F)cccc2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]12 250237345 LANXXLRUWCFLPO-OWRUZMDSSA-N 422.865 4.484 0 1 HIAF CC(=O)C[C@]1(O)c2ccc(Br)cc2-n2ccc3c4ccccc4nc-3c21 377839274 RYRZLWBLGTWUGK-NRFANRHFSA-N 407.267 4.421 0 1 HIAF COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(N(C)C)cc3)CC1)c1cccn1-2 299824440 AVOALNAAWZWOQC-UHFFFAOYSA-N 416.525 4.109 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587797188 MFKPQPRIVPFTRJ-ZUOKHONESA-N 406.295 4.238 0 1 HIAF COC(=O)/C=C/c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587809517 ROPWABKVYOFOSI-NQVOKRLKSA-N 404.279 4.398 0 1 HIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587938345 VCTZARFTUCRHQG-VFZGTOFNSA-N 401.335 4.458 0 1 HIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cccc(Br)c2[nH]1 586972183 DJYXPFSVOQJOPV-MRXNPFEDSA-N 404.333 4.436 0 1 HIAF Oc1nc2cc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3cc2[nH]1 586984701 OVIAQFLXFARCHJ-KRWDZBQOSA-N 412.291 4.093 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2Cc3ccccc3C(=O)O2)N1 587831659 IORMTBSSZPEAQI-PEECDGGASA-N 404.279 4.119 0 1 HIAF C[C@]1(CC(=O)Nc2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553216 UKUTWCBIXWNJJU-DENIHFKCSA-N 424.840 4.190 0 1 HIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(F)cnc(Br)c2[nH]1 587079546 JBFVGEWOPLGPHA-LLVKDONJSA-N 408.662 4.237 0 1 HIAF CN1CCN(c2ccc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3c2)CC1 587033364 UCBGYRLEIUSAAR-UHFFFAOYSA-N 403.555 4.323 0 1 HIAF Cc1cc(C)cc(NC(=O)C[C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962760097 CXTFKEYLWRMILQ-GHTZIAJQSA-N 404.432 4.193 0 1 HIAF C[C@]1(c2ccc(-n3cccc3)cc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962716261 WIUQLCSOMJEUGT-TZIWHRDSSA-N 418.390 4.498 0 1 HIAF CN1CCC[C@@H](COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1 13610367 UPXSOIKTRIGNGR-WWDZGPRUSA-N 403.530 4.267 0 1 HIAF CCCn1ncnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610472 ZQLPLWRQUVVKJZ-UHFFFAOYSA-N 415.501 4.127 0 1 HIAF COc1ccc([C@H](CC(=O)N2CCC[C@H](C)C2)c2c(O)cc(OC)cc2OC)cc1 13661421 JESWDHXLYTYZAC-JXFKEZNVSA-N 413.514 4.199 0 3 HIAF COc1ccccc1CN1CCN([C@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 169326390 ZFZCYZQMZHCUPD-CLJLJLNGSA-N 402.538 4.288 0 1 HIAF COc1ccc2[nH]cc(CCNc3cc(-c4ccccc4CN(C)C)ncn3)c2c1 4266540 DUCLXULIUPPPHP-UHFFFAOYSA-N 401.514 4.350 0 1 HIAF O=C(O)c1ccoc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 1553405 HMWZLYLDLHPPCO-IBGZPJMESA-N 400.862 4.033 0 1 HIAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4051606 SWGYVGTXKHCPCJ-UXOGBEFXSA-N 418.896 4.094 0 1 HIAF CC1=C[C@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 2356412227 LEPSFRJYIUKYEX-BDTNDASRSA-N 423.557 4.308 0 1 HIAF 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)Nc1ccccc1N 58689968 BCKQSIZBCMVWRU-BNXJYMPYSA-N 407.558 4.121 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)C2=O 29131834 FZNUHYAOASPTOZ-DXBKKHHHSA-N 403.522 4.385 0 1 HIAF O=C(O)c1cn(C2CC2)c2c(F)c(N3CCc4sccc4C3)c(F)c(F)c2c1=O 28821942 VPBDDFZGKXZJLB-UHFFFAOYSA-N 420.412 4.076 0 1 HIAF CCCCC[C@H](C[C@@H](CCc1ccc(OC)c(OC(C)=O)c1)OC(C)=O)OC(C)=O 2356663204 XZMCSNNVVYNRPZ-NHCUHLMSSA-N 422.518 4.387 0 1 HIAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1ccc(Cl)cc1Cl)C2 219251409 CUHWRPDUYIEOQG-SNVBAGLBSA-N 402.285 4.069 0 1 HIAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccc(Br)cc4)ccc3N(C)[C@@H]12 49052013 CXIMFWAAULSTAF-QUCCMNQESA-N 416.319 4.429 0 1 HIAF C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1cc(F)c(NS(C)(=O)=O)c(F)c1 84653171 IIRSCYPPTBXNHL-ZDUSSCGKSA-N 424.513 4.054 0 1 HIAF COC[C@H](C)NC(=O)c1cc(NC(=O)c2cscn2)cc(-c2ccc(C)cc2)c1 142616826 ORNHUCCRRFPKHE-HNNXBMFYSA-N 409.511 4.136 0 1 HIAF COc1ccccc1OCCNCC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 96939447 VBBGWGDRJBZUHP-GOSISDBHSA-N 420.509 4.128 0 1 HIAF CCNC(=O)c1ccc2nc(C)c3nnc(-c4c(Cl)cccc4Cl)n3c2c1 95594860 URLXPSUXGAGTAF-UHFFFAOYSA-N 400.269 4.309 0 1 HIAF COC(=O)CC/C=C/CC[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C\C[C@](C)(O)/C=C\C1=CCCC1 261193332 ZZVPHCPLTZTOBC-KTIXJTCMSA-N 416.558 4.206 0 1 HIAF in-vitro COc1ccc2ccc(=O)oc2c1C1=NN(C(C)=O)[C@@H](c2ccc(SC)cc2)C1 299862202 JISKGFADZIQAJM-GOSISDBHSA-N 408.479 4.221 0 1 HIAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 299887526 ZAHNDAGNFYIZGM-RRFFVTKNSA-N 404.595 4.166 0 1 HIAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2cnccc12 653849275 JKBQIULERLAVIF-BQVXCWBNSA-N 415.537 4.493 0 1 HIAF COc1cc(OC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587807347 NCWNYPGDSAZKFD-GIGQVBGESA-N 410.283 4.238 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587754915 FLFFYUGIUKQVLG-VOJFVSQTSA-N 409.347 4.135 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)c(Cl)nc1C)[C@@H](C2)C3=O 587411562 DPIQJROSDSISFC-SGTLLEGYSA-N 408.679 4.477 0 1 HIAF Nc1cc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1F 587140011 DKHRQCLFGWMVOW-UHFFFAOYSA-N 416.865 4.405 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCOCC3)c2)N1 587774477 ODJKTHFUNWNRRH-SZNDQCEHSA-N 419.338 4.223 0 1 HIAF Cc1ccc(CNC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587756912 SHHCRCTYHMTODG-LHSJRXKWSA-N 419.338 4.353 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)cnc2N)N1 587710522 DIPHPQXGLPTHDF-UOWDBTKRSA-N 404.205 4.208 0 1 HIAF CN(C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587572127 NTRHUNSYZFRBJD-XUZZJYLKSA-N 403.434 4.166 0 1 HIAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587225237 OCBFZCKVIMFIQO-UHFFFAOYSA-N 424.354 4.219 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@H]2CCCC[C@@H]21 587028219 WQQKAIYMOPQDME-RDBSUJKOSA-N 401.923 4.143 0 1 HIAF Cc1[nH]nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Br 587680896 QSWUAHZHCBCTJN-IYQDAUBNSA-N 403.093 4.006 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)cc(F)c4[nH]3)CC2)cc1 586955129 LHWNHBOCLQZQEW-UHFFFAOYSA-N 407.898 4.232 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CN)C1CCCCC1 963862598 CRZYOGQMRGSJRC-DVECYGJZSA-N 416.562 4.366 0 1 HIAF CCCCN1C(=O)[C@H](C(C)=O)[C@]2(c3ccccc31)c1c(F)cccc1C[C@@H]1CCCN12 963115470 VJNFNAGOQSTLMY-FPDDQMOCSA-N 420.528 4.442 0 1 HIAF O=C(CCCC(=O)c1cccc(Br)n1)c1cccc(Br)n1 196109435 QATDJPCLUQYHJJ-UHFFFAOYSA-N 412.081 4.238 0 1 HIAF CCc1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC(C)(C)C)cc1 13451476 GLRSVPUWEGWJBB-UHFFFAOYSA-N 414.571 4.492 0 1 HIAF COc1ccc2[nH]cc(CCCCN3CCN(c4ccc(OC(C)=O)cc4)CC3)c2c1 13582389 FCBAMQJWCNMMEU-UHFFFAOYSA-N 421.541 4.247 0 1 HIAF Cc1cccc(Cl)c1Nc1nc2ccc(N3CCN(C)CC3)cc2n2cncc12 13860324 DKECGYMSIZVLSZ-UHFFFAOYSA-N 406.921 4.340 0 1 HIAF COC(=O)[C@H]1N[C@H](c2ccccc2)c2c1c(O)n(-c1ccc(Cl)c(Cl)c1)c2O 169717956 GEMYJIADYZLHLI-SJORKVTESA-N 419.264 4.102 0 1 HIAF O=C(N[C@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1F 1857558631 QIGYTWGQZLXCGV-HSZRJFAPSA-N 413.452 4.371 0 1 HIAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccccc1OCC 4152642 FRQCFFFYTVDOJK-GGAORHGYSA-N 410.514 4.492 0 1 HIAF CCOC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C 26740094 FRGNNZYHLRTEQP-CLAROIROSA-N 415.480 4.485 0 1 HIAF COc1cc(-c2ccc3c(c2)Nc2cc(N4CCOCC4)ccc2NC3=O)ccc1N 28710750 ZVVZHIBPLVZQPC-UHFFFAOYSA-N 416.481 4.090 0 1 HIAF O=C(O)CNC(=S)Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 28818378 CVCGFHLNTORNNV-UHFFFAOYSA-N 419.506 4.245 0 1 HIAF COc1ccccc1N1CCN(CC[C@H](O)c2csc3ccc(F)cc23)CC1 34167407 GZKOLGKHWMYYBA-FQEVSTJZSA-N 400.519 4.295 0 1 HIAF CN(C)CC(C)(C)c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 36401229 YJHUXVPTXZVJBR-UHFFFAOYSA-N 404.493 4.019 0 1 HIAF O=C(NC1CC1)c1ccc(N2CCC[C@H](COc3ccc4c(c3)CCCC4)C2)nc1 45226884 SSVMYGXBIBTBNI-SFHVURJKSA-N 405.542 4.148 0 1 HIAF Cc1cccc(N2CCN(c3nc(N)nc4sc(-c5ccc(F)cc5)nc34)CC2)c1 66100738 RSTBWUBZEGOJOB-UHFFFAOYSA-N 420.517 4.110 0 1 HIAF O=C(NC1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1ccccc1 72186338 GOEOSMJZWFPGJM-JOCHJYFZSA-N 424.907 4.253 0 1 HIAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)NCCC2=CCCCC2)co1 82072774 NUMDFRGHFZSVRM-OAQYLSRUSA-N 407.514 4.261 0 1 HIAF Fc1cccc(CNc2ncnc3c2nc(-c2ccccc2)n3C[C@H]2CCCO2)c1 82181420 WBHYRMMLIVCTBA-LJQANCHMSA-N 403.461 4.424 0 1 HIAF CC(=O)O[C@@H]1C[C@]2(C)C=CC[C@@]3(CCCC(C)(C)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 85542543 APVQQWUDOVEKPZ-VLRNEXPMSA-N 402.531 4.095 0 1 HIAF biogenic,in-vitro COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Br)cc1)c1ccco1 103192393 KSWVAIUTIGWOFM-OAHLLOKOSA-N 419.164 4.149 0 1 HIAF Nc1cnc(-c2ccc(-c3ccccc3CSc3nccc(N)n3)cc2F)cn1 224741089 FMYWOZJEAYVIEO-UHFFFAOYSA-N 404.474 4.196 0 1 HIAF Cc1ccccc1[C@@H]1[C@H]2CCc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 299868635 RZBJOVUTEDIEQN-LADGPHEKSA-N 417.534 4.170 0 1 HIAF CCOC(=O)C(F)(F)[C@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586985271 BSQUTXRPMXEJLI-LLVKDONJSA-N 409.388 4.065 0 1 HIAF CC1=C(c2ccc3nc([C@@H](C)c4ccccc4C(F)(F)F)[nH]c3c2)NNC(=O)C1 587096941 FJQIWLHLNFQEST-LBPRGKRZSA-N 400.404 4.489 0 1 HIAF Cc1ccc(C)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351936 VRWKTFIFIWNMCO-HYBUGGRVSA-N 403.409 4.355 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(S(=O)(=O)CC(C)C)c1)CC2=O 587485903 KIUDPEUJQGVITM-NRFANRHFSA-N 402.512 4.481 0 1 HIAF COc1ccc([C@@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587697835 UNFLTGSANGXQRT-MLCYQJTMSA-N 414.702 4.020 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2F)(C(F)(F)F)N1 587704726 JQSIYRVJSJBYIM-AYVTZFPOSA-N 407.180 4.462 0 1 HIAF CC1=C[C@]2(CC(=O)N1Cc1ccco1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587760036 NSZVIGPBDVSOAY-FKIZINRSSA-N 419.294 4.247 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ncccn3)s2)N1 587852123 DIDNLHUIVZRRPF-BJOHPYRUSA-N 405.296 4.125 0 1 HIAF CCOC(=O)c1csc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587856077 XUEUBNIKMPPVQZ-XYZCENFISA-N 413.312 4.019 0 1 HIAF CC(C)N1CCc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)sc2C1 587858289 PUNXUALPNJINHR-ZMZPIMSZSA-N 424.383 4.435 0 1 HIAF O=C(O)c1cc(F)cc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962948622 BCIXLZUHKNQCEV-SFHVURJKSA-N 409.379 4.284 0 1 HIAF Cc1ncn(C)c1NC(=O)[C@H]1CCC[C@@H](N(C)C(=O)c2cccc(C(F)(F)F)c2)C1 1911585161 ODVLIKAJGRPFQZ-WMLDXEAASA-N 422.451 4.017 0 1 HIAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356308448 UNEXLHASNFZPAF-IPMKNSEASA-N 411.546 4.249 0 1 HIAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356665792 NXDCWVAEZBBVNQ-RBZQAINGSA-N 419.569 4.373 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4212225 FLKLMFOVJUXKRI-WTOYTKOKSA-N 403.567 4.166 0 1 HIAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4213290 VJXQRQLJWUWQOV-HSQYWUDLSA-N 403.567 4.166 0 1 HIAF Cc1ccnc2c1nc(CCCO)n2Cc1ccc(-c2ccccc2C(=O)O)cc1 26270682 ASIIBHJLQOZPAL-UHFFFAOYSA-N 401.466 4.078 0 1 HIAF O=C1N[C@@H](Cc2ccccc2)c2nc3cc(F)ccc3c(=O)n2-c2cc(Cl)ccc21 36389179 GABNUOLQDSZRKA-IBGZPJMESA-N 419.843 4.205 0 3 HIAF Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 72183338 BQGVETYFBZWWQW-UHFFFAOYSA-N 412.493 4.172 0 1 HIAF COc1nc2c3c(cnc2cc1-c1c(C)noc1C)NC(=O)[C@@H]3Cc1ccccc1 214086819 ZULXIHDLPPWDPC-OAHLLOKOSA-N 400.438 4.189 0 1 HIAF in-vitro C[C@]1(F)CCC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cncc4ccccc34)cc12 146084327 LJFGLDITBUBCDT-OFNKIYASSA-N 403.461 4.341 0 1 HIAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 95893538 FBMNEOLEUCRLPT-KMDXXIMOSA-N 417.484 4.207 0 1 HIAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)O[C@@H]3CCCC[C@H]32)cc1 254096503 UNPAQNBHMGZKAF-FCEUIQTBSA-N 417.502 4.065 0 3 HIAF NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccccc3)c[nH]2)CC1 299839865 TWAXLYHFTMDLNJ-BVSLBCMMSA-N 402.542 4.242 0 1 HIAF COc1ccc(-n2ccnc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587755777 QNYFTMOZXPFPRB-BLVKFPJESA-N 416.294 4.406 0 1 HIAF CN(C)C(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587505807 LROQUYOHPDCQJG-OAQYLSRUSA-N 413.901 4.392 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587728063 QVRWFHNZNIXDJI-WYRIXSBYSA-N 410.258 4.068 0 1 HIAF CCOC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587794677 PJAFHXBGXANQTH-YUNKPMOVSA-N 422.294 4.154 0 1 HIAF Nc1n[nH]cc1[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377503 RUBMLMBTKFTGDL-DENIHFKCSA-N 421.453 4.201 0 1 HIAF C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1-c1ccccc1C3=O 587102978 CBAATIQSQYEYOJ-DTIVBAOMSA-N 410.473 4.436 0 1 HIAF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cnccc21 587587588 OZCLKOSOOPVTIH-BKMJKUGQSA-N 421.408 4.237 0 1 HIAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2c1 586896220 KRMVSEREWHTKJK-JNSHFYNHSA-N 405.907 4.036 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1cccnc1-c1ncccc12 587778385 MRKSRKBLDVKKLK-MQJDWESPSA-N 424.273 4.019 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587587993 IXTJXGKKEQTAQO-REWPJTCUSA-N 415.401 4.363 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nccn2C)(c2ccccc2)N1 587758851 YKUKFEMCDVXQOS-QKKBWIMNSA-N 414.322 4.342 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C)C(=O)O)(c1cccc(Br)c1)O2 587376692 JYGOWKVKQVWBIZ-FKIZINRSSA-N 418.287 4.311 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(C(F)(F)F)cc1 587547087 LECOSVZZFYQWAT-RXVVDRJESA-N 416.351 4.260 0 1 HIAF COC(=O)c1cc2[nH]c(CSc3nccn3-c3ccc(C)cc3C)nc2cc1OC 586967125 WWIVMQOLIZDBMQ-UHFFFAOYSA-N 422.510 4.453 0 1 HIAF COC(=O)C[C@@]1(Cc2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587726873 LXAVQNGBVKWAPX-MPBGBICISA-N 424.285 4.263 0 1 HIAF COc1cccc([C@@H]2Oc3ccccc3[C@]3(NCCc4cc(Cl)ccc43)C2=O)c1 963391620 VRKPAFWYOJVIOW-UPVQGACJSA-N 405.881 4.441 0 1 HIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3csc4cnc(Cl)nc34)N12 962658001 DURHHFNREVBJLL-LAUBAEHRSA-N 424.913 4.081 0 1 HIAF C[C@@]1(c2cc(Br)cs2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965546 LHWBEQZNEWMOCE-BMIGLBTASA-N 422.678 4.305 0 1 HIAF O=C(NC[C@@H]1CCC2(CCN(Cc3cc4ccccc4o3)CC2)O1)c1ccccc1 12020286 DKNPTCLLLPNCCL-NRFANRHFSA-N 404.510 4.376 0 1 HIAF Cc1ncc(C(=O)N[C@]23CCC[C@](NC(=O)c4cccc(Cl)c4)(CC2)C3)s1 169710856 PLUGGALXTRCKCA-VQTJNVASSA-N 403.935 4.110 0 1 HIAF COc1ccc(-c2coc3cc(OCCNC(=O)OC(C)(C)C)ccc3c2=O)cc1 1857546229 AIYNOTWNKBJBHQ-UHFFFAOYSA-N 411.454 4.372 0 1 HIAF Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)n(Cc2csc(N3CCCCC3)n2)c1 1857552425 VVGGNXLGVDHLHL-UHFFFAOYSA-N 424.526 4.242 0 1 HIAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscn1 1857564922 XDWBYGPGLWWELW-UHFFFAOYSA-N 402.401 4.234 0 1 HIAF Cn1cc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 1857583677 HGPYCSZDDXUPFB-UHFFFAOYSA-N 422.428 4.086 0 1 HIAF COc1cc(CN2CCC(Nc3n[nH]c4ccc(Cl)cc34)CC2)cc2c1OCO2 28529570 XSUONKWZVREZIU-UHFFFAOYSA-N 414.893 4.030 0 1 HIAF COC(=O)C(C)(C)c1ccc(C[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 45188440 MARKFAUFCFINOE-YWZLYKJASA-N 423.475 4.410 0 1 HIAF COc1ccc([C@H]2CC(c3ccccc3C)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 70459618 YTNKWYXSAJLIDC-HSZRJFAPSA-N 421.522 4.007 0 1 HIAF C=CC1=C(C(=O)N2CCN(c3cccc(C)c3C)CC2)[C@@H](c2ccc(OC)cc2)OC1 73218986 ZVUKCYZTFUIGFL-RUZDIDTESA-N 418.537 4.215 0 1 HIAF CC(C)C1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCNCC1 117667447 GANFQJFXZYPGOX-UHFFFAOYSA-N 401.514 4.349 0 1 HIAF CC(C)(C)n1cc(-c2cc(C(N)=O)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144916351 ISCSNHMKBGYUTD-NRFANRHFSA-N 415.415 4.183 0 1 HIAF CCCCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 146901040 JQPYWFPJAZZKAV-UHFFFAOYSA-N 401.850 4.377 0 1 HIAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](N=O)C2 169714308 WGNQZEHJQKXRMV-KKLQWCBXSA-N 416.587 4.258 0 1 HIAF c1cc(-c2nc(-c3cccc4[nH]ccc34)c3c(n2)N2CCOC[C@H]2CO3)c2cc[nH]c2c1 218253039 DYBROFXFBNCCFM-HNNXBMFYSA-N 423.476 4.371 0 1 HIAF Ic1cccc([C@@H]2C[C@H](c3ccccc3)N3NN=NC3=N2)c1 473247731 GLNDSDBWBSURQI-LSDHHAIUSA-N 403.227 4.021 0 1 HIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C)cc(Br)c3[nH]2)c1 586930645 NORDMIVGRYLBDO-UHFFFAOYSA-N 422.348 4.331 0 1 HIAF COc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 586954977 QFIXJOKEKSSQIC-UHFFFAOYSA-N 421.522 4.293 0 1 HIAF COc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586961702 SMZDZEHPIUIGJZ-NQERJWCQSA-N 411.527 4.266 0 1 HIAF Cc1cc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 587006088 GWDBAALGQPGUNM-UHFFFAOYSA-N 407.069 4.106 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cnc(Cl)[nH]c-3n1)N2 587033234 XQRDNCVVPXSCTQ-AMAGOZFHSA-N 406.924 4.085 0 1 HIAF Fc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c(F)c1F 587117410 CXNGERUPPKZAGG-UHFFFAOYSA-N 413.119 4.201 0 1 HIAF Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Cl)ncc4[nH]3)o2)c1 587158238 UVTFPLLCBHHYFN-UHFFFAOYSA-N 422.645 4.348 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587327945 IPYRZKHDWUWSOJ-KNQAVFIVSA-N 409.800 4.391 0 1 HIAF CN1C(=O)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587333821 CVZCGADLUVKKAC-ISKFKSNPSA-N 403.409 4.152 0 1 HIAF Cc1ccc(F)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335945 PLVHDSNJLGYFRC-MBSDFSHPSA-N 407.372 4.185 0 1 HIAF COc1ccccc1[C@@]1([C@H]2CCCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587400734 SPPNFPFBTOQUST-RLJZQAMKSA-N 409.482 4.338 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1nc(-c3ccc4c(c3)OCO4)no1)CC2=O 587480699 DZSFDVXMMQOBRS-HSZRJFAPSA-N 422.437 4.090 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 587488558 PQCCREVSKPPGQK-XBCBRRGRSA-N 401.503 4.468 0 1 HIAF O=C(O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(OCc2ccccc2)=CO1 587535152 IZBZYLMYIFQSCL-RUZDIDTESA-N 418.445 4.326 0 1 HIAF CC(=O)N(c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1)C1CC1 587609446 CANQYPIJQPKTFQ-NQIIRXRSSA-N 422.462 4.067 0 1 HIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1cccnc1Cl 587621384 CWHAAOHLCAQIKO-UHFFFAOYSA-N 404.655 4.416 0 1 HIAF Cc1cc2ncc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)n2n1 587797759 SROUDUGXIWLOPQ-GIGQVBGESA-N 403.299 4.045 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccco2)(c2ccco2)N1 587831013 VEIHXWUEWBIWKG-WLRWDXFRSA-N 404.235 4.435 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2sc3c(c12)CCC3 587869514 LJRZBEOLMHSWHA-UHFFFAOYSA-N 417.416 4.455 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc2ccccc2s1 587869735 QOVIHAQSXHPMLU-UHFFFAOYSA-N 404.373 4.271 0 1 HIAF O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1cc(-c2ccco2)on1 621476557 STDKBUREMSMCQL-UHFFFAOYSA-N 402.332 4.451 0 1 HIAF COc1ccc(C[C@@H]2CCCN2C(=O)c2nccnc2-c2cccc(C)c2)cc1OC 653780782 PMGJQPZMQNTBPD-FQEVSTJZSA-N 417.509 4.317 0 1 HIAF Cn1cccc1CN1CCc2sccc2[C@H]1C1(F)CN(C(=O)OC(C)(C)C)C1 962371958 IIWPZQAVTIEWSG-SFHVURJKSA-N 405.539 4.145 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@]2(C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1CC 962639296 VTAHFKIOBTTXQP-BSEYFRJRSA-N 414.546 4.219 0 1 HIAF COc1ccc2c(c1OC)[C@]1(CCc3ccc(SC)cc31)NCC21CCOCC1 963194125 SNLQBGDFFADJFU-XMMPIXPASA-N 411.567 4.267 0 1 HIAF COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Oc2nc3ccccc3nc2C)cc1 1772643876 LMMOKNMRVZZPKJ-FQEVSTJZSA-N 407.470 4.048 0 1 HIAF O=C(c1cc2ncccn2n1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F 13637028 PBGVDDGNEFKXFU-HSZRJFAPSA-N 411.440 4.138 0 3 HIAF C[C@@]12C(=O)N(C3CC3)CC(=O)N1C[C@@H](c1ccc(Cl)cc1)c1c2[nH]c2ccccc12 2131448 AVNODFYJMZWPPP-MHECFPHRSA-N 419.912 4.015 0 1 HIAF biogenic CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2 3871181 KITBJDQJTLGBAY-BJKOFHAPSA-N 424.493 4.498 0 1 HIAF biogenic CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1ccnc(Cl)c1)O2 11996528 JEWZQZQQAQPLNI-GOSISDBHSA-N 406.869 4.338 0 1 HIAF O=S(=O)(c1ccc(Br)cc1)N1CCC2(C=Cc3ccccc32)CC1 13728197 OTYXVEUYHMHPRE-UHFFFAOYSA-N 404.329 4.198 0 1 HIAF CN1C(=O)c2[nH]c(Cc3ccc(-c4ccccc4)cc3)nc2N2CC3(CCCC3)N=C12 13763715 ZOONDZXUMNNZKJ-UHFFFAOYSA-N 411.509 4.242 0 1 HIAF CCCCc1nc(Cl)c(C=O)n1Cc1ccc2c(c1)[C@@](O)(C(=O)O)c1ccccc1-2 26501700 HSTZQVRYCOMQHP-HSZRJFAPSA-N 424.884 4.041 0 1 HIAF CCOc1ccccc1C(=O)NCC1(N2CCN(C3CCCC3)CC2)CCCCC1 72179281 JHYUXYFUZXQBNW-UHFFFAOYSA-N 413.606 4.078 0 1 HIAF CC[C@@H](O)c1cc(=O)c2c(O)c3c(cc2o1)O[C@@](C)(C/C=C/c1ccccc1)[C@H](O)C3 85593562 VDUTYPQENGHNNX-JQZMJCINSA-N 422.477 4.100 0 1 HIAF biogenic,in-vitro O=S(=O)(Nc1ccc(CO)cc1)c1ccc(-c2ccc(Br)cc2)cc1 95581240 NVTXKFQWGUWMCG-UHFFFAOYSA-N 418.312 4.409 0 1 HIAF O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc(F)cc1 95893582 XGQZPVUIFXVPMI-KMDXXIMOSA-N 417.484 4.207 0 1 HIAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2C)cc1 100093259 SWSQSUGAWRRIGA-FVRPBGSPSA-N 418.562 4.099 0 1 HIAF CN(C(=O)[C@@H](CC(=O)O)CC1CCOCC1)c1nc(-c2ccccc2Cl)cs1 117511487 MKTBFICPTYRWDG-CQSZACIVSA-N 422.934 4.334 0 1 HIAF O=C(CCc1ccc(Cl)cc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167736890 YQEYSJWQGSZMEM-UHFFFAOYSA-N 421.928 4.464 0 1 HIAF CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H]2OC[C@@]2(CCCc2ccccc2)C[C@@H]3[C@H]1C5 169290810 AFNNIVJCAOZVSR-GKHGQUPGSA-N 417.549 4.079 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCCC4CC4)cn3)C2)cc1 169709214 ICDSJCJWGJLTEN-SBUREZEXSA-N 409.530 4.115 0 1 HIAF CC[C@H](C)C(=O)O[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 202614268 PCZOHLXUXFIOCF-NHHCYHDNSA-N 404.547 4.196 0 1 HIAF CC(C)(C)n1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 218190152 HYLJUVFCKAGRGR-UHFFFAOYSA-N 415.497 4.132 0 1 HIAF Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3CC[C@@H]3CCCCN3)nn12 261102302 GPKQXYCLWXHJTJ-NRFANRHFSA-N 414.557 4.219 0 1 HIAF COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C2CC2)cc1 299831505 DWCUAHBOVUBFHQ-UHFFFAOYSA-N 400.818 4.430 0 1 HIAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)cnc4[nH]3)CC2)cc1 586955283 OWZXUUAHSOEPKD-UHFFFAOYSA-N 418.950 4.303 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3ccc4cc(Cl)ncc4c3)nc-2[nH]1 587084884 JHMZCOALLZIAEH-UHFFFAOYSA-N 402.845 4.491 0 1 HIAF O=C(COc1ccccc1-c1nc2cc3c(cc2[nH]1)OCO3)Nc1ccccc1F 587154491 QJEFGZKFNFDODR-UHFFFAOYSA-N 405.385 4.115 0 1 HIAF COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587353692 RVKKVYNXOAYQCQ-QPPBQGQZSA-N 422.408 4.298 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(c3nccs3)CC2)[C@H]1c1ccc(F)cc1 587375241 LTFXYMDIMMPCGZ-IBGZPJMESA-N 410.470 4.386 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cccn4)c(Br)c1)[C@@H](C2)C3=O 587411585 FDSBZWGADBADBL-XOBRGWDASA-N 411.255 4.132 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)(c1sc(C)nc1C(=O)O)O2 587412608 JOTHYRGBINTJFW-IBGZPJMESA-N 400.481 4.011 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)[C@@H](C2)C3=O 587435020 CTTLSRNQVNJHSW-YGKZAACZSA-N 401.503 4.237 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(CC(=O)O)c4)cc1)[C@@H](C2)C3=O 587448007 XUBGHHNBEAAHOZ-CPJSRVTESA-N 400.430 4.478 0 1 HIAF COC(=O)CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591058 FQMUAFJKQGHVAP-URXFXBBRSA-N 404.418 4.203 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)[C@@H]1CCCNC1 587597465 UPRDCNKMMDIYED-FRPAHBMMSA-N 415.489 4.335 0 1 HIAF CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(SC)n1 587611239 FYCSFCDDOXWXCB-CRAIPNDOSA-N 412.492 4.329 0 1 HIAF CCOc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1OC 587660710 RTNFZUUQDZUOKS-UHFFFAOYSA-N 418.424 4.298 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(Br)c2)N1 587682309 LFRNYIVGILZSPS-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC3CCOCC3)nc2)N1 587770317 IPCJPQDISSAMQC-MPBGBICISA-N 421.310 4.165 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cnccc12 587780273 ZRNXQEUOUYNXDB-VERVWZFWSA-N 423.285 4.354 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccco2)(c2ccco2)N1 587831012 VEIHXWUEWBIWKG-NSPYISDASA-N 404.235 4.435 0 1 HIAF C/C(=C\[C@]1(c2nccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587853440 MZXHJJNYLUNTJL-ITDHTTIGSA-N 410.356 4.288 0 1 HIAF O=C(CCc1ccccc1)c1nc2c(Br)ncc(Br)c2[nH]1 587953638 OIRKNEHDVAFJEP-UHFFFAOYSA-N 409.081 4.298 0 1 HIAF Cc1cc([C@]2(CC(C)(C)C(=O)O)NCCc3c2c(C(C)C)nn3C)ccc1Cl 962905466 FBFGJOZAPXMGPN-QFIPXVFZSA-N 403.954 4.396 0 1 HIAF CC[C@@]1(c2cc(F)c(F)c(F)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962967456 NGSJGFFTSLZYTK-ACJLOTCBSA-N 405.750 4.288 0 1 HIAF CC1(C)C(=O)NC2=C1[C@]1(NCCc3c(Cl)cc(Cl)cc31)C(=O)c1ccccc12 963126182 VIHMRQAOYRLEQX-QFIPXVFZSA-N 413.304 4.098 0 1 HIAF FC(F)(F)c1ccc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772587174 WFPPWRAUXJMGTG-UHFFFAOYSA-N 400.408 4.004 0 1 HIAF Oc1ccc(-c2c(-c3ccc(Cl)cc3)nc3c(N4CCOCC4)nccn23)cc1 1857572891 CZSKDVLQDHVZEP-UHFFFAOYSA-N 406.873 4.259 0 1 HIAF CC1=C[C@@]23C(=O)OC(C)(C)[C@H]1C[C@]2(O)CC1=C2C(=O)O[C@H](c4ccoc4)[C@@]2(C)CC[C@H]13 2356587393 JJXOUNRHCCYHOY-SKBSOHQTSA-N 424.493 4.013 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13C[C@@H](C=C[C@H]21)[C@](C)(O)C3 2356738327 JUJCSASCNCKTOP-RELJMNFISA-N 404.547 4.031 0 1 HIAF Cc1ccccc1-c1nc(C[S@@](=O)CC(=O)N[C@@H](C)CCc2ccccc2)c(C)o1 5058177 RGLGEVZRXTZOIY-PBYQXAPXSA-N 424.566 4.345 0 3 HIAF CC(C)C(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccc(F)cc1 2456306 DQGJZRYEMPQATI-SFHVURJKSA-N 405.267 4.114 0 1 HIAF COCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc(OCc2ccccc2)cc1 6920152 TZRXLNRAKIOHMX-UHFFFAOYSA-N 415.493 4.289 0 1 HIAF CCOC(=O)n1c([S@@](=O)Cc2nccc(SCC)c2C)nc2ccccc21 13820774 PKLJRWZFZCJLDM-HHHXNRCGSA-N 403.529 4.164 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)N5CCCCC5)cc4CC[C@H]3[C@@H]1CCC2=O 26832177 FSGBTTZMWCLKDQ-JFYQVNSESA-N 417.571 4.221 0 1 HIAF CC(=O)NCCN1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 40567296 YVOOMWPKIIFOKS-UHFFFAOYSA-N 413.521 4.495 0 1 HIAF O=c1cc(OCc2ccc(F)cc2)ccn1CCc1ccc(CN2CCCC2)cc1 43152396 NJUDJIHEJBJEHC-UHFFFAOYSA-N 406.501 4.405 0 1 HIAF CC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)[C@@H](OC(C)=O)[C@]4(O)C(=O)OC 69482239 LWNWMGNTSHEJGE-NPEQGBEQSA-N 406.563 4.255 0 1 HIAF biogenic,in-vitro COc1cc(CNc2cc(Oc3cccc4cccnc34)ncn2)cc(OC)c1OC 82067471 PQMVTWDCWJFHGV-UHFFFAOYSA-N 418.453 4.455 0 1 HIAF Cc1c(-c2ccc(-c3ccc(CN4CCOCC4)cc3)nc2)[nH]c2ccccc2c1=O 84653411 ROFBFFODOLEUTN-UHFFFAOYSA-N 411.505 4.398 0 1 HIAF COC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3Cl)ccnc21 84712992 XSFXPKGADGAPKT-QGZVFWFLSA-N 417.868 4.166 0 1 HIAF Cc1oc2cc3oc(=O)c(CC(=O)Nc4cccc(C(=O)O)c4)c(C)c3cc2c1C 95581141 JOTIDCBZJKCENR-UHFFFAOYSA-N 405.406 4.344 0 1 HIAF CCC[C@@H](O)Nc1nc(Nc2ccc(-c3cncnc3)cc2)c2ncn(C(C)C)c2n1 103186945 LQYHWFFRRIMAPW-GOSISDBHSA-N 418.505 4.138 0 1 HIAF CC(C)(C)n1nnnc1[C@@H](Nc1ccc(Cl)cc1)c1coc2ccccc2c1=O 103269317 KXHUYCBOAGKPMF-SFHVURJKSA-N 409.877 4.389 0 1 HIAF Fc1ccc(COCc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F 103303085 ZFZFBHJVOPWPMU-UHFFFAOYSA-N 418.350 4.388 0 1 HIAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1cnc(OC(F)F)c(Cl)c1 167766465 OMGGLDITIJYJNZ-CYBMUJFWSA-N 412.820 4.217 0 1 HIAF OCCCNc1cc(-c2cccc(NCc3cc(F)cc(F)c3)n2)c(Cl)cn1 169703780 ILFCGUBLJBDRCR-UHFFFAOYSA-N 404.848 4.482 0 1 HIAF C[C@@H](O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 169710740 FOPTWJFCLCQKIQ-RDTXWAMCSA-N 410.495 4.112 0 1 HIAF COc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1C 586939273 SPILMADIWFFTMU-GOSISDBHSA-N 407.923 4.209 0 1 HIAF COC(=O)c1cc2[nH]c(/C=C/c3ccc(Br)c(OC)c3)nc2cc1OC 586977814 SRUKKSRGKKXAMN-FNORWQNLSA-N 417.259 4.300 0 1 HIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2C1 587035077 UEMHAIDNJBGOOP-UHFFFAOYSA-N 411.487 4.167 0 1 HIAF Fc1cc(Br)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 587085520 XQPFZBBTZNQGIC-UHFFFAOYSA-N 410.678 4.292 0 1 HIAF CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1 587105648 CPUISYUZRGJPGY-IBZMOEQTSA-N 412.489 4.017 0 1 HIAF Cn1nc(-c2nc3cc(O)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587129990 BOTLOVPTZMZAGT-UHFFFAOYSA-N 407.380 4.486 0 1 HIAF NC(=O)Nc1cccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587242176 ONJWAWYGVZNYJS-UHFFFAOYSA-N 415.169 4.382 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2[C@@H](C(=O)O)NC[C@@H]2C3)c1 587362804 KVKSAYREGNFPAJ-KNUWZQJKSA-N 414.461 4.044 0 1 HIAF COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587406903 FLTQCMMSYPMYCJ-HSZRJFAPSA-N 405.406 4.012 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(C(=O)O)o4)cc1)[C@@H](C2)C3=O 587456401 UQVPLRKJJGCDLF-HTAPYJJXSA-N 406.390 4.054 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@]1(c2cccc(F)c2)CCOC1 587569603 INADHDGSFSNBLM-TUACAJSNSA-N 406.409 4.220 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](NC(=O)OC(C)(C)C)C2)N1 587741030 FVUSHECBTDGQEM-AGMRTUQYSA-N 413.331 4.395 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCN(C)C)N1 587742760 TWWRVQYJALDBSG-ZUOKHONESA-N 407.327 4.152 0 1 HIAF CC[C@H](OC(=O)c1ccccc1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587923806 PPDWRSNHIDWPHS-SFHVURJKSA-N 416.524 4.490 0 1 HIAF CC1=C2CCC(=O)[C@@]2(C)CC[C@@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962663110 JIMAUEXRFVVPGE-SDHOMARFSA-N 404.510 4.008 0 1 HIAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1ccc2ncsc2c1 963152465 VNCGUZAYZFITBQ-UKRRQHHQSA-N 417.512 4.089 0 1 HIAF Cc1ccc([C@@]2(c3cnn(-c4ccc(F)cc4)c3N)NCCc3ccc(O)cc32)cc1 963354724 ZAZHBGWPBUGCDD-RUZDIDTESA-N 414.484 4.045 0 1 HIAF Cc1c(C(=O)N2CCCCC2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc12 18098512 POVDHEPFCFYWAV-IYBDPMFKSA-N 418.559 4.034 0 3 HIAF CCOC(=O)C1=CC[C@H](c2cccc(Cl)c2)N(S(=O)(=O)c2ccc(C)cc2)C1 72136233 QAOHXBBOMINOJS-HXUWFJFHSA-N 419.930 4.274 0 3 HIAF CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(Cl)c(Cl)c2)n(C)c1C 1566163 LMRZPKVOLYQKCZ-UHFFFAOYSA-N 414.289 4.019 0 1 HIAF O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4205968 VXPXBZOOLVKWLF-AZUAARDMSA-N 417.962 4.095 0 1 HIAF CC(=O)NCc1nc2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1 13445578 JYOOQEUPVSBWLO-UHFFFAOYSA-N 400.482 4.390 0 1 HIAF CC(C)COc1cc(Nc2ccc(S(C)(=O)=O)cc2)n2ncc(C(C)C)c2n1 14948076 LMWWKOWQEHLVFX-UHFFFAOYSA-N 402.520 4.035 0 1 HIAF CC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1cccc(Cl)c1Cl)[C@H](CO)C(C)(C)O2 45188101 MJIRVNPSHKSGSP-HNAYVOBHSA-N 422.308 4.447 0 1 HIAF CCCN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O 72124885 HOIYGCHNLHPXEO-UHFFFAOYSA-N 424.520 4.048 0 1 HIAF COc1ccccc1CCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccco2)n1 82142185 GYKXOKGVTXYLGJ-UHFFFAOYSA-N 408.502 4.128 0 1 HIAF O=C(c1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95878319 GEDLLFRQMJGBKD-FGCOXFRFSA-N 402.469 4.483 0 1 HIAF CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(-c2c(Sc3ccc(Cl)cn3)ncn2C)cc1 96270412 VMUDUGYQARUVSK-SJORKVTESA-N 412.946 4.478 0 1 HIAF Cc1ccc(CNC(=O)CCCn2c3c(c4ccccc42)C(=O)CN2CCCC[C@@H]32)o1 96901295 RFGDCZSDYVEACY-NRFANRHFSA-N 419.525 4.363 0 1 HIAF O=C(O)[C@H]1CCCN(CCO/C=C/c2cc(F)ccc2Cc2ccccc2F)C1 96923957 LFJRBVHGXKJLHK-JTPHSUOKSA-N 401.453 4.340 0 1 HIAF O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1O 103245337 XZHOYJLUXYPRMQ-PMACEKPBSA-N 410.901 4.218 0 1 HIAF CC[C@H](C)C(=O)O[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 149035103 PCZOHLXUXFIOCF-KMAFYUSPSA-N 404.547 4.196 0 1 HIAF CCOC(=O)[C@H]1C(CC)=NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729863 LPNXHPGMPNQJLI-LEWJYISDSA-N 410.470 4.069 0 1 HIAF O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1ccc2c(c1)OCO2 261144605 NQXKNSIQJMQZRS-UHFFFAOYSA-N 410.426 4.177 0 1 HIAF Nc1nc(N)c2c(n1)N[C@H](c1sc(Cl)nc1Cl)CC(c1ccc(F)cc1)=N2 299863406 LCKHPCZFKGPUQU-VIFPVBQESA-N 424.292 4.221 0 1 HIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Br)cnc3[nH]2)c1 586915577 ODCNTZVQVLDELH-UHFFFAOYSA-N 410.227 4.489 0 1 HIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Br)cnc(Cl)c2[nH]1 586963611 PITWHOXZWUIFOH-QMMMGPOBSA-N 414.716 4.421 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587151957 JHIYUAZWJHBATK-CABCVRRESA-N 405.470 4.191 0 1 HIAF CCOc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587442100 OKKJWVUEMMBNFO-CJFMBICVSA-N 402.446 4.491 0 1 HIAF C[C@@]1(Cc2nc(-c3ccccc3)no2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586654 KZYJVOZNECIRMD-YKSBVNFPSA-N 414.417 4.405 0 1 HIAF CCOc1ccc(-c2nn(-c3ccc(OC)nc3)c(=O)c3ccccc23)cc1OCC 587670381 WJXUDURZVMSHGY-UHFFFAOYSA-N 417.465 4.254 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2N2CCOCC2)N1 587722560 SOBDUSHEVVGVLX-FKIZINRSSA-N 423.301 4.188 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587724571 JMBPUEKDJMLPFB-YUNKPMOVSA-N 424.285 4.377 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2ccnc2)(c2cccc(F)c2)N1 587735215 XHSVWSTVPAQMSD-RBZFPXEDSA-N 418.285 4.402 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCC(=O)O)cc2)N1 587790780 GMSGGVPYEYXGHD-NSPYISDASA-N 408.267 4.065 0 1 HIAF Cc1ccnc2c1CCN[C@@]21C(=O)N(Cc2cccc3ccccc23)c2ccccc21 963069341 DPMFKJMSJOCVSH-HHHXNRCGSA-N 405.501 4.479 0 1 HIAF COc1ccc(-c2nc3cc(NC(=O)[C@H](C)Oc4ccccc4CN)ccc3o2)cc1 1857647488 QKEFYELZLCYXLD-HNNXBMFYSA-N 417.465 4.368 0 1 HIAF COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)cc(OC)c1F 1911576969 MBOQJJVCBNKCTN-UHFFFAOYSA-N 407.489 4.290 0 1 HIAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 776842 NAQWPDNCSYPDQS-CYBMUJFWSA-N 406.816 4.441 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215220 KFEHDMUCZNJERV-QPTUXGOLSA-N 408.542 4.420 0 1 HIAF O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)Nc1ccccc1 11141435 LKZRYXQJKGGHGU-UHFFFAOYSA-N 415.518 4.370 0 1 HIAF CCCCCCc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 13725124 SRAYUFAGOZRLIA-LJQANCHMSA-N 407.474 4.087 0 1 HIAF Cc1cc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CCCC3)CC2)cs1 13835828 HEPQZYCRJHNVCR-DEOSSOPVSA-N 412.599 4.215 0 1 HIAF CN(C)c1nc2ccccc2c(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 13861033 GXLANZMAZGVTDX-LLSOJIOMSA-N 406.457 4.187 0 1 HIAF CC1(C)C=Cc2cc(-c3coc4cc5c(c(O)c4c3=O)C[C@H](C(C)(C)O)O5)ccc2O1 14825200 CVRIJAMWTQXHRM-HXUWFJFHSA-N 420.461 4.424 0 1 HIAF biogenic C[C@@H](O)c1cc(OCCCC(C)(C)C(=O)O)ccc1OCCCC(C)(C)C(=O)O 25976540 LGDYGZDFADAIPU-OAHLLOKOSA-N 410.507 4.280 0 1 HIAF COc1cccc(CN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CCCC[C@@H]3C2=O)c1 26572261 RLKUDKVBRRKFID-PMACEKPBSA-N 408.498 4.265 0 1 HIAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CNS(C)(=O)=O)cc21 28571532 CTGMREDPJFWWBJ-LIRRHRJNSA-N 413.370 4.229 0 1 HIAF O=C(N[C@H]1CCC[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1 28702504 OWLDJASELBBGJT-HKUYNNGSSA-N 416.308 4.489 0 1 HIAF Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2C[C@@H](C)C[C@H](C)C2)cc1 40829437 ZTESOUAADVEJOU-OALUTQOASA-N 405.542 4.441 0 1 HIAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc3ccccc3n2)C(=O)O1 42922505 DRXBCTFIEPSCHE-KGEPOTPBSA-N 411.498 4.056 0 1 HIAF Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1 72179866 UZSXKOWARFWPQC-UHFFFAOYSA-N 412.493 4.172 0 1 HIAF CCOC(=O)c1c(N)oc2c1c(Sc1ccc(F)c(F)c1)c(O)c1ncncc12 73219875 YBDHDUWKHDSBBZ-UHFFFAOYSA-N 417.393 4.270 0 1 HIAF COCCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(F)cc2)n1 82141338 BTJGSBBJWNOIAB-UHFFFAOYSA-N 416.541 4.485 0 1 HIAF CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1 82188728 JYXLBPPDXCPCGJ-IBGZPJMESA-N 406.578 4.480 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)[C@H]([C@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 84653650 QPYHJLGJPROCQR-UERXBTFISA-N 418.574 4.420 0 1 HIAF Clc1cc(-c2nnc(CSc3nnc(-c4ccncc4)n3C3CC3)o2)ccn1 84689175 HEACMNRMWPGIPI-UHFFFAOYSA-N 411.878 4.066 0 1 HIAF Cc1cc(C)n2nc(SCc3nnc(SCc4ccc(F)cc4)s3)nc2n1 96928623 XOJOEDFMVXTMLA-UHFFFAOYSA-N 418.548 4.316 0 1 HIAF CCN(CC)C[C@H](O)CN(Cc1ccc(C)cc1)Cc1cc2ccccc2nc1OC 96939075 ILXDTIWVEUWTNG-DEOSSOPVSA-N 421.585 4.257 0 1 HIAF CN(C)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 103279502 JOSFLJYYKHVIGN-UHFFFAOYSA-N 423.944 4.283 0 1 HIAF [C-]#[N+]c1ccnc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c1 147501462 HDXOHJOFGROCNN-AEFFLSMTSA-N 413.485 4.415 0 1 HIAF COc1ncnc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1 167723725 AERREAAADMJGLC-GOSISDBHSA-N 424.526 4.180 0 1 HIAF CN(C(=O)[C@H]1CC[C@H](c2ccccn2)NC1=O)c1ccc(Oc2ccccc2)cc1 207628950 WUOSFHWUMGUCJJ-RBBKRZOGSA-N 401.466 4.104 0 1 HIAF O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCn2c(nnc2-c2ccccn2)C1 299854760 AMXMHHADTVOXCR-UHFFFAOYSA-N 415.884 4.317 0 1 HIAF CCCCc1cc(=O)oc2cc(OCc3nc4cc(F)cc(C(=O)O)c4[nH]3)ccc12 586919227 XLDNQQXLBISXIQ-UHFFFAOYSA-N 410.401 4.428 0 1 HIAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)C(C)C 586933122 MWTWDFMORNGJOG-ZDUSSCGKSA-N 422.776 4.395 0 1 HIAF Fc1c(Br)ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966352 CCULPLUIRXQFAC-UHFFFAOYSA-N 406.240 4.202 0 1 HIAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(F)cc2[nH]1 586984145 NELANIGCMZSSLQ-LBPRGKRZSA-N 413.088 4.470 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2cc1OC 587006330 KRDODWVXTYZABA-UHFFFAOYSA-N 400.232 4.040 0 1 HIAF CCOC(=O)[C@H](C(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345374 FHKSDQBYAWHORE-MZKRTTBSSA-N 400.446 4.484 0 1 HIAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(CCC(=O)c1ccc(C)s1)[C@@H](C2)C3=O 587454238 XKSDJMQDMJREBN-OYHNWAKOSA-N 414.479 4.079 0 1 HIAF CCOC(=O)C[C@@]1(COCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587527176 WMGFMPGBPYZWNC-RUZDIDTESA-N 408.494 4.439 0 1 HIAF CC(C)(C)C(=O)Nc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576863 IPGUNDOLONRSBS-DENIHFKCSA-N 418.449 4.475 0 1 HIAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2nsnc12 587618324 NSGOLFAOLSLYQT-VGSWGCGISA-N 419.462 4.166 0 1 HIAF CC(=O)N(C)c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587757965 VVDZIMSPORKWSW-ODXCJYRJSA-N 405.311 4.369 0 1 HIAF COc1cc(OC)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587808877 RBJNZKHRKWXNDZ-YBTHPKLGSA-N 424.310 4.412 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587827819 LFHNFFHBFONSLT-OVWNDWIMSA-N 410.283 4.305 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(F)(F)Oc1ccccc1 587867586 AAYPRYASZZOAGX-UHFFFAOYSA-N 413.302 4.285 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(-n2cncn2)cc1Cl 587870573 DEVFBCUPUFJTLH-UHFFFAOYSA-N 411.824 4.011 0 1 HIAF COCCc1nc(C)c([C@@]2(C)NC3(CC3)Cc3ccc(Br)cc32)s1 961618326 ZTLSRNPKEPMAHJ-SFHVURJKSA-N 407.377 4.345 0 1 HIAF CCOc1ccc2[nH]cc([C@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)c2c1 962662576 ILLOCMVWOCCUCF-RDGATRHJSA-N 415.493 4.303 0 1 HIAF C[C@H](c1ccccc1)N1CC2(CC2)[C@@]2(C1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962728702 FPZRVUHJTGDHBI-CGYQNGNCSA-N 414.471 4.385 0 1 HIAF O=C1[C@@H](N2CC[C@@H](c3ccc(O)cc3)C(F)(F)C2)CCN1Cc1ccc(Cl)cc1 1772577301 OIMXBHXLIVXEEQ-PMACEKPBSA-N 420.887 4.271 0 1 HIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@H](O)Cc2cc(F)ccc2F)cc1 1772585188 HNZZMMKIJHPUAD-IFDYDOQNSA-N 414.448 4.351 0 1 HIAF Fc1ccc(F)c(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c1 1857771570 GBMCYUDJVSXCST-UHFFFAOYSA-N 420.345 4.270 0 1 HIAF Cc1ccc(CNC[C@@H]2O[C@H](Cc3cc(-c4ccc(F)cc4)on3)CC[C@H]2O)cc1 2356287584 LYJMYMOWQAIVCN-ZDXQCDESSA-N 410.489 4.030 0 1 HIAF CCCCC[C@@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(CO)c2C=C[C@H]1O 2356496324 UQFUUOPYXCPQFQ-GGAORHGYSA-N 412.482 4.479 0 1 HIAF COCc1[nH]nc2c1[C@H](c1cccc(C(F)(F)F)c1)N(c1ccc(OC)cc1)C2=O 199729277 QVAXJTFTSWLZGA-IBGZPJMESA-N 417.387 4.333 0 3 HIAF COc1ccc(CCN(Cc2cccs2)S(=O)(=O)c2ccccc2)cc1OC 201463256 JNYWBDYUFAPRTE-UHFFFAOYSA-N 417.552 4.199 0 3 HIAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4049688 WDBSOFKIYJKKEL-VCHRRKICSA-N 406.526 4.322 0 1 HIAF C=C1C[C@@H]2O[C@]2(C(=O)O[C@H]2CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1=O 6482822 KEHKYFDJRGIKNE-QWQTXUAMSA-N 424.537 4.097 0 1 HIAF CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@H](O)C(C)(C)O2 14585971 ULCACFIDJDAIOB-GUYCJALGSA-N 422.477 4.469 0 1 HIAF biogenic COc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1OC 14946606 ZZYCYTFKFSOZMZ-UHFFFAOYSA-N 403.442 4.073 0 1 HIAF C[C@H](CCc1ccccc1)NC[C@H](O)COc1ccc(CCOCC2CCC2)cc1 25967072 IYSSLVYNZYSAIT-BWKNWUBXSA-N 411.586 4.396 0 1 HIAF Cc1cc(C)cc(N2CNC(=O)C23CCN([C@H]2Cc4cccc5cccc2c45)CC3)c1 26396682 DVLYTSGCKYQCED-DEOSSOPVSA-N 411.549 4.482 0 1 HIAF N=C(N)c1ccc2c(ccn2Cc2cccc(Cn3ccc4cc(C(=N)N)ccc43)c2)c1 29467730 OZBKFCVBMAGPHG-UHFFFAOYSA-N 420.520 4.261 0 1 HIAF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1 40861819 FUZACTMZBNNVQU-UHFFFAOYSA-N 406.449 4.189 0 1 HIAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(Br)cc3)C[C@H]1C=N2 49803322 RPPSQCQRJPNRJU-HNNXBMFYSA-N 413.271 4.438 0 1 HIAF CCOc1ccccc1C(=O)NC1CCN(CCOc2ccccc2C(C)C)CC1 95578419 NEALQIVMJKROLE-UHFFFAOYSA-N 410.558 4.482 0 1 HIAF COc1c2c(cc3c1-c1c(cc4c(c1O)OCO4)C[C@H](C)[C@H](C)[C@H]3OC)OCO2 95589430 BEXFBHJPOQKVEZ-ZHYXMNDGSA-N 400.427 4.041 0 1 HIAF CN(C(=O)c1ccc(OCC2CC2)cn1)[C@@H]1Cc2ccc(CN3CCCCC3)cc2C1 96174239 WEKKZAXUZUSJJF-HSZRJFAPSA-N 419.569 4.096 0 1 HIAF O=c1[nH]c2ccccc2n1C1CCN(C2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)CC1 101653815 OTRVJNOKJPZDCM-FGZHOGPDSA-N 416.569 4.162 0 1 HIAF O=S(=O)(c1cc(F)cc(Cl)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 147559810 MDCJWFOFTOQWKU-UHFFFAOYSA-N 400.258 4.357 0 1 HIAF CCOC(=O)c1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)cc1 169686969 RTUWTNPZBZBOLW-UHFFFAOYSA-N 405.429 4.389 0 1 HIAF CC(=O)c1ccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)cc1 219754574 WERHDSCRDSDMLI-RUZDIDTESA-N 401.506 4.354 0 1 HIAF CC[C@H](C)C[C@@](C)(O)C[C@H](CO)C[C@@H](C)/C=C(C)/C=C(/C[C@@H](C)C(=O)O)C(=O)O 238736841 MBFFSCGMVQIKKY-XWVGNGRCSA-N 412.567 4.267 0 1 HIAF Clc1cnn(COc2cccc(-c3nc4cncc(Br)c4[nH]3)c2)c1 587082919 YRZKXEWWOKHJCP-UHFFFAOYSA-N 404.655 4.274 0 1 HIAF O=C(c1nc(Cl)ccc1Cl)c1c(CO)oc2cc(Br)cnc12 587275981 IGKKMCXLDOUBEM-UHFFFAOYSA-N 402.031 4.015 0 1 HIAF COc1cc2c3c(c1)O[C@@H](C1CC4(CCN(C(=O)OC(C)(C)C)CC4)C1)[C@@H](C2)C3=O 587441775 HATSUPJJSPLKOC-UWJYYQICSA-N 413.514 4.239 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)([C@]1(F)CCN(C(=O)OC(C)(C)C)C1)CC2=O 587469006 ZXVVVCFXHFFFGM-YADHBBJMSA-N 407.482 4.418 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCN(c3ccccc3)C[C@@H]1C(=O)OCC)CC2=O 587480976 XBEPMCPNTWFEIK-CJFMBICVSA-N 423.509 4.138 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(NC[C@@H]3CCCO3)nc1C)CC2=O 587494196 KBRAXZDWXUTURF-FPTDNZKUSA-N 416.543 4.581 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCN(C)C)cc2)N1 587739136 FZYYIOZLOAXSJN-RBZFPXEDSA-N 407.327 4.152 0 1 HIAF Cc1ccc([C@@]2(/C=C/C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587827236 JWAHSJWALVDTEB-RTJDVGLLSA-N 404.279 4.315 0 1 HIAF CCOC(=O)C[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587850109 XCXUNGDUSCTTNI-ZMZPIMSZSA-N 412.324 4.381 0 1 HIAF CC(C)N1CCc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2C1 587858287 PUNXUALPNJINHR-BBATYDOGSA-N 424.383 4.435 0 1 HIAF Cc1ccc(-c2csc3nc(SCC(=O)c4cccs4)n(N)c(=O)c23)cc1 958026450 BITXHRKGGVUUNT-UHFFFAOYSA-N 413.549 4.184 0 1 HIAF COc1cc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1SC(F)(F)F 963019154 DSDMDOSWBGDUNS-CWTRNNRKSA-N 408.445 4.450 0 1 HIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(-c3c(F)cccc3F)o2)N1 963227663 QPGVMWMATJCGNV-GCJKJVERSA-N 406.388 4.461 0 1 HIAF Brc1c[nH]nc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963818986 VKLFIIDILXGZCV-OAQYLSRUSA-N 423.314 4.468 0 1 HIAF CC(C)(Nc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1)c1ccccc1 1857562118 VHVIVUASFBWYAZ-UHFFFAOYSA-N 412.541 4.382 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NC[C@H](O)CC 4151942 RNXNCZKHKKZYJL-UCFCWBNQSA-N 424.541 4.188 0 1 HIAF COc1ccc(CNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cc1 103199224 YZQUDGCNEXBGRE-FMIVXFBMSA-N 410.477 4.273 0 1 HIAF CCOC(=O)C1=C(N)Oc2cc(N(CC)CC)ccc2[C@H]1c1ccc(Cl)cc1 66167173 LIVXKGBLIOIRNN-LJQANCHMSA-N 400.906 4.444 0 1 HIAF 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=C1C[C@H]3O 2356738934 LEMNKDYZZKCTCV-XQIZPLNKSA-N 404.591 4.486 0 1 HIAF CC1=C[C@H](CNC(=O)N2CCOCC2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356775091 HXNIOUHGZFLWBL-PWRODBHTSA-N 424.589 4.012 0 1 HIAF CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(C)=O)CC3)Oc3ccccc32)cc1 40953876 FRQAQFHWDSUWKR-UHFFFAOYSA-N 418.537 4.374 0 1 HIAF CC(C)CCN1Cc2cc(CC(C)C)c(NCCN)cc2N[C@@H](CC(C)C)C1=O 49113484 MQDOGCPFOHAUKO-QHCPKHFHSA-N 402.627 4.471 0 1 HIAF O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc3occc3c2)n1 84725857 YEUFJLDZFAPYER-UHFFFAOYSA-N 404.495 4.218 0 1 HIAF C/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)[C@@H](O)[C@@H](C)CO)[C@@H]2C[C@@H]3O[C@]3(C)C[C@H]2[C@@H]2O[C@@]21C 43562066 LRMWKBJDHOHUEZ-HCZQMODJSA-N 402.575 4.032 0 1 HIAF O=C(NCCc1ccccc1F)[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82195672 QIXGAYIUCGFALQ-HXUWFJFHSA-N 413.493 4.416 0 1 HIAF CCCc1nnc(SCc2ccccc2Cl)n1N1C(=O)c2ccccc2C1=O 84653140 DHQPYZPPJMYBIA-UHFFFAOYSA-N 412.902 4.109 0 1 HIAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C(C)(C)C)nn(C)c21 95598002 LHMQBWFULYGLMM-UHFFFAOYSA-N 400.567 4.285 0 1 HIAF COc1ccccc1C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 299820249 FTAHCTQETJGEKJ-XMMPIXPASA-N 418.880 4.162 0 1 HIAF CCOC(=O)N1C=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 587769201 NHMCXFFNQYJXKP-BLVKFPJESA-N 411.315 4.474 0 1 HIAF COC(=O)c1ccc2c(c1)[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587805181 HDBXYUWCFBBSOU-BIBXISHDSA-N 404.279 4.099 0 1 HIAF Cc1cncc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 587141188 ZCPCLHPRSHLJNB-UHFFFAOYSA-N 400.410 4.012 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(N)=S)c2)N1 587846621 VCHSAIBZKZDLHE-YPMLDQLKSA-N 408.340 4.041 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cnccc2[nH]1 587219419 OLBSYQJULYVECG-KRWDZBQOSA-N 410.474 4.047 0 1 HIAF CCCOc1cc2[nH]c(-c3cccnc3SCC(=O)O)nc2cc1Br 586966757 KLMIJRWWNHTLMB-UHFFFAOYSA-N 422.304 4.353 0 1 HIAF CCOC(=O)CCCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439658 CBDQIKXYNKKSHU-DVECYGJZSA-N 410.466 4.080 0 1 HIAF Nc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1CC(=O)O 587249878 OXSVOLMXZIYBNA-UHFFFAOYSA-N 414.181 4.221 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(=O)n(Cc3ccccc3)c1Cl)O2 587413699 ISWBPPBNXMYUCO-INIZCTEOSA-N 400.887 4.209 0 1 HIAF COc1cc(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC(=O)O 587501557 PAWUZSFAOJUENT-GOSISDBHSA-N 416.857 4.397 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587420384 FYPZZEYIQDJAMF-ZEQUCBBFSA-N 403.400 4.432 0 1 HIAF COC(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328632 BDPUPEBOUOIIFC-VWNXMTODSA-N 424.399 4.488 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1CC 962639311 VTAHFKIOBTTXQP-JBEBIEQOSA-N 414.546 4.219 0 1 HIAF Cc1c(N[S@](=O)c2ccc(Br)cc2)c(Cc2ccccc2)nn1C 199935696 NJHUFKWAEGXZGO-XMMPIXPASA-N 404.333 4.217 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(Oc4cnccn4)cc3)C2)cc1 1772593691 YVAAODBHUCTLPM-SBUREZEXSA-N 418.497 4.124 0 1 HIAF COC(CN(C(C)=O)[C@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21)OC 5602015 BUBJVDFCKSCMCQ-INIZCTEOSA-N 406.573 4.103 0 1 HIAF O=C1C[C@@H](c2ccccc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccccc4)oc23)O1 13382658 SXMQPTBFMABSHL-HNNXBMFYSA-N 400.386 4.312 0 1 HIAF biogenic O=C(Nc1ccccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cc(Cl)ccn1 13587604 UDESZXCXPFWRNB-UHFFFAOYSA-N 412.785 4.176 0 1 HIAF O=C(O)C[C@@](O)(CSCCCCCc1ccc(-c2ccccc2)cc1)C(=O)O 13758232 BHWFXROSLGDLSS-JOCHJYFZSA-N 402.512 4.090 0 1 HIAF COc1cc(-c2nncn2C)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1 207628577 VZBGYKSZEPEEDD-UHFFFAOYSA-N 418.505 4.031 0 1 HIAF COc1cc(OC)c(-c2cn3ccc(C4=CCN(C(C)=O)CC4)cc3n2)cc1Cl 1857617268 OLECGJHAKZOTMN-UHFFFAOYSA-N 411.889 4.308 0 1 HIAF COC(=O)c1ccc2c(c1)c(I)c(-c1ccc(OC)cc1)n2C 13814329 BUGKKUNKFLKYDK-UHFFFAOYSA-N 421.234 4.245 0 1 HIAF aggregator C[C@H](CCc1ccccc1)NC[C@@H](O)COc1ccc(CCOCC2CCC2)cc1 25967056 IYSSLVYNZYSAIT-PXDATVDWSA-N 411.586 4.396 0 1 HIAF COc1ccc(CCNc2nc(NCC(C)C)c3cc(OC)c(OC)cc3n2)cc1 82128220 OIBVLRBEOLDDDZ-UHFFFAOYSA-N 410.518 4.378 0 1 HIAF CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1NCc1sccc1C 82158386 UDIGLEOGQYIBNW-UHFFFAOYSA-N 407.879 4.138 0 1 HIAF COc1nccc(Cc2c3cc(OC(F)(F)F)cc(C)c3nc3[nH]nc(C)c23)n1 95573240 JTCKWHZJYLGVTR-UHFFFAOYSA-N 403.364 4.016 0 1 HIAF COc1cc(OC)cc(-c2nnn(-c3cccc(C)n3)c2-c2ccc3nccnc3c2)c1 95584445 KEOKFJFAPJKDQR-UHFFFAOYSA-N 424.464 4.265 0 1 HIAF CCOc1ccc2cc(Cc3c(=O)[nH]c(C)c4cc(OC)c(OC)cc34)cnc2c1 169703370 YTNJCRLIPXEDBY-UHFFFAOYSA-N 404.466 4.391 0 1 HIAF Cc1cccc(C)c1[C@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1 169710724 HIJSYEVKOQLSTA-LJQANCHMSA-N 424.522 4.341 0 1 HIAF Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)ccc12 299818576 ADQJWMZSDXQWOJ-UHFFFAOYSA-N 416.865 4.405 0 1 HIAF CCCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1O 299855235 ATNAOZJRHRKMCA-UHFFFAOYSA-N 404.417 4.487 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(Cl)ncnc3[nH]1)N2 587031392 NJLSZTPKAVJHNW-DHFUWRPHSA-N 406.924 4.133 0 1 HIAF O=S(=O)(c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1)C(F)(F)F 587079963 JALYLWNCQGPRGG-CQSZACIVSA-N 402.781 4.186 0 1 HIAF COC(=O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1OC 587163396 PCLLUTUZBXVNKY-UHFFFAOYSA-N 419.412 4.417 0 1 HIAF COc1cc(N)c(I)cc1-c1nc2ccc(SC)cc2[nH]1 587178382 AORFDCDGEFSDBK-UHFFFAOYSA-N 411.268 4.147 0 1 HIAF CC[C@@H](c1nc2ccc(SC)cc2[nH]1)n1cc(I)c(C)n1 587186044 YYJMIEYKSUNESA-AWEZNQCLSA-N 412.300 4.394 0 1 HIAF CN1CCN(c2ccc3nc([C@@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3c2)CC1 587223421 AVNIVULZYMEMDR-FQEVSTJZSA-N 413.566 4.071 0 1 HIAF CCc1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344513 CVUGQIMVCWWAQL-HYBUGGRVSA-N 403.409 4.300 0 1 HIAF CCc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351326 UFMWNDJFJFUJKK-XUZZJYLKSA-N 403.409 4.300 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(Br)[nH]1)O2 587373461 QUKZTNWVFLAKGA-GFCCVEGCSA-N 400.070 4.137 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)c4ccccc41)[C@@H](C2)C3=O 587439423 UIURCSMTCRAZPT-BXKMTCNYSA-N 407.466 4.483 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)CCC(=O)O)cc1)CC2=O 587470081 MDBJILCFTLJZKY-QHCPKHFHSA-N 411.454 4.029 0 1 HIAF CC(C)(C)OC(=O)NC[C@@]1(Cc2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587513678 TYWKTCGLJXMIMM-RUZDIDTESA-N 422.525 4.432 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)C(=O)O 587542967 AZIXFOSSOLNRCU-AVRDEDQJSA-N 410.809 4.073 0 1 HIAF C[C@]1(c2cccnc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550116 ZTWWJIYXZMKBGP-OXJNMPFZSA-N 412.239 4.427 0 1 HIAF COc1cc(C)cc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612994 XFZIZBGIMHNIFH-HYBUGGRVSA-N 404.418 4.349 0 1 HIAF CN(C)c1ccc(NC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655946 IYXWTUJZFUCRTK-UHFFFAOYSA-N 420.419 4.488 0 1 HIAF COc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587658941 VOGDORZYCRAWOY-OAHLLOKOSA-N 418.424 4.319 0 1 HIAF COc1ccc([C@@]2(CO)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691985 FRDWZYUNXCNFRH-MLCYQJTMSA-N 414.702 4.020 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCN(C)C)c2)N1 587743124 VMLKGSQWAVNNEU-RNODOKPDSA-N 407.327 4.152 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC3CCOCC3)nc2)N1 587770320 IPCJPQDISSAMQC-YUNKPMOVSA-N 421.310 4.165 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587792070 OFIMJQWNCPZOOP-DYBLOJMWSA-N 409.299 4.333 0 1 HIAF COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)=O 587810027 WDWAOWQCGFQHTL-YPMLDQLKSA-N 408.267 4.146 0 1 HIAF COC(=O)c1ccc2c(c1)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811791 XEFNZAZLVJRDLY-YBTHPKLGSA-N 404.279 4.099 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cc3ccccc3o2)(C(=O)O)N1 587833769 OVWRXHIPQCSLCK-YBTHPKLGSA-N 418.262 4.391 0 1 HIAF CCN(C(C)=O)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587853056 ORPVSZOWTNNSCQ-ABKXIKBNSA-N 412.328 4.041 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nnc(-c2ccccc2)o1 587862815 XGHRDHDLALILOH-UHFFFAOYSA-N 414.343 4.316 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(-c2ccc(F)cc2)c1C 587870587 MPGRLDPHRVVMIA-UHFFFAOYSA-N 408.408 4.410 0 1 HIAF Cc1ccc(-n2ncc([C@@]3(C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2C)cc1 962770979 ULQFWKCKCRHANW-UNMCSNQZSA-N 413.443 4.398 0 1 HIAF COc1cccc2cc3c(nc12)[C@H](c1nc2cc(C(F)(F)F)ccc2n1C)NCC3 963035598 OCEYFKGRAOYBDB-HXUWFJFHSA-N 412.415 4.384 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]3(CCC(=O)O)c1c(F)cccc1Cl 963057292 NLDHLTMBCNTVFE-QFIPXVFZSA-N 414.864 4.290 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cccc(-c3cc[nH]n3)c2)C1 1772638664 YJKDJQRXFSYKSN-QGZVFWFLSA-N 408.889 4.221 0 1 HIAF O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccco3)nn2)c1 1857560270 BYXHOEQUPZHCAS-UHFFFAOYSA-N 414.465 4.360 0 1 HIAF CC(=O)Nc1ccc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)nc2)cc1 1857568738 UUVGYSPMBCTSDC-UHFFFAOYSA-N 412.493 4.469 0 1 HIAF Cc1cc(C)c2c(Cn3cc(CSc4nc5ccccc5[nH]4)nn3)cc(=O)oc2c1 1857579669 KKAKJOSAYAGPAR-UHFFFAOYSA-N 417.494 4.218 0 1 HIAF CS(=O)(=O)Nc1cccc(-c2cnc(N)c(-c3cccc(C(F)(F)F)c3)c2)c1 1857603761 ABORJTJIHVIIRM-UHFFFAOYSA-N 407.417 4.388 0 1 HIAF COc1cc(OC)cc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)c1 1857613118 XOESTEWXERVDDA-UHFFFAOYSA-N 421.478 4.115 0 1 HIAF COc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(OC)cc4)no3)C2)cc1 1362813 YYRWSZVCJBDNDT-INIZCTEOSA-N 408.458 4.165 0 3 HIAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)c1 767894 AFZQFMCFVQXPJT-UPVQGACJSA-N 415.493 4.076 0 1 HIAF CCc1cc2c(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)cnc(OC(F)F)c2o1 13437941 OADRFAYKJSEHSL-UHFFFAOYSA-N 418.183 4.184 0 1 HIAF COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC 14953670 YCCPYTPBHUIHGW-HZPDHXFCSA-N 404.459 4.331 0 1 HIAF in-vivo COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)c(C)c1 15064082 MLSKNHKQNXOHDN-KRWDZBQOSA-N 424.497 4.003 0 1 HIAF CCOc1cc(-c2ccc(-c3ccc(NC(=N)N)c(OCC)c3)o2)ccc1NC(=N)N 26173848 QLTGQIVKMJYMOH-UHFFFAOYSA-N 422.489 4.022 0 1 HIAF CO[C@@H](C)C(=O)N(c1ccccc1F)[C@@H]1CCN(CCc2cccs2)C[C@@H]1C 26728577 JIKKIUARYBEXPE-ABSDTBQOSA-N 404.551 4.208 0 1 HIAF CC(C)=CC(=O)O[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 27984930 IPTAYEGJXGBMNA-HNOYHERFSA-N 402.531 4.116 0 1 HIAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2ccc(CO)cc21 28952238 DKQWDDNRGKNOAY-UHFFFAOYSA-N 406.530 4.320 0 1 HIAF CCO[C@@H](Cc1ccc(OCCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O 34717777 QOQHJKLBIHRPEG-NRFANRHFSA-N 410.470 4.089 0 1 HIAF COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1F 38157698 DNPPBNZOSQBCKJ-UHFFFAOYSA-N 420.535 4.338 0 1 HIAF Cc1ccc(Cn2nc(-c3nc(CNC(=O)OC(C)(C)C)no3)c3ccccc32)cc1 40879996 YJZCMXYATVRJRS-UHFFFAOYSA-N 419.485 4.468 0 1 HIAF CN1CCc2cc(I)c(O)cc2[C@H]1Cc1ccccc1Cl 45167619 UROKNISEDPCCGO-MRXNPFEDSA-N 413.686 4.422 0 1 HIAF CCOCCCN[C@@H](CC(C)C)c1nc(-c2ccccc2)c(N2CCOCC2)o1 72182859 FWXMMOVETLHFTN-FQEVSTJZSA-N 401.551 4.282 0 1 HIAF O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 95798397 WUFOPPOKIVHBCP-FGCOXFRFSA-N 402.469 4.483 0 1 HIAF O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 95893537 FBMNEOLEUCRLPT-SGNDLWITSA-N 417.484 4.207 0 1 HIAF C/C(=C\CC/C(=C/C[C@H]1OC(=O)C=C1CO)CO)CC/C=C(\C)CCC[C@H](C)CO 96085820 CCONHYLQHTWPKT-GNPRIXSZSA-N 420.590 4.391 0 1 HIAF COc1ccc([C@H](Cc2ccc(-c3ccc(O)nc3)cc2)c2cn(C)c(N)n2)cc1 96168400 CGSKUTVDJXNMIB-NRFANRHFSA-N 400.482 4.153 0 1 HIAF C[C@H]([C@H]1C[C@H]1C(=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 96941739 SPBCVLSZAPVLJN-DBTTZCEYSA-N 404.591 4.334 0 1 HIAF CCC(=O)[C@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@H]1N2 100911960 IPBBJWDRJMAEIL-JDOCFBBISA-N 403.691 4.148 0 1 HIAF C/C=C/C=C/C[C@@H]1C[C@@H]2/C=C/C(C)=C/[C@H]3C=C[C@@H](O)[C@@H](O)[C@@H]3/C(C)=C/C=C/[C@H]2C(=O)N1 103241631 UIBDXMJAGQYGAG-NYBNEGNOSA-N 421.581 4.172 0 1 HIAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1 114099802 NTAUHMJDISBFQD-FQEVSTJZSA-N 410.558 4.258 0 1 HIAF CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(Cl)c2)CC3)n1 141186584 XLSZLFIPXJUASQ-UHFFFAOYSA-N 419.920 4.180 0 1 HIAF CCCCCCC[C@@](C)(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)C 148199562 ZTGUBPKGOULVQD-AEAANOBUSA-N 418.578 4.474 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(-c3ccccc3)cn2)n1 205145426 NFMJXRHLXWTYRE-MAUKXSAKSA-N 404.474 4.088 0 1 HIAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3ccc(C(=O)O)cc3)nn3ccnc23)n1 207348113 JKKPLFZFANAECJ-OAHLLOKOSA-N 414.469 4.222 0 1 HIAF COc1cc([Si](C)(C)c2cccc(OCc3ccccc3)c2)cc(OC)c1OC 210377883 UNKFDGQRFMQOLD-UHFFFAOYSA-N 408.570 4.114 0 1 HIAF OC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1 473098437 FXIMXZUTJXQUOO-UHFFFAOYSA-N 418.541 4.270 0 1 HIAF CCOC(=O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586922533 VOLADFDUMNYKMQ-UHFFFAOYSA-N 420.490 4.381 0 1 HIAF CCOC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(F)(F)F 586987143 UAQAFXVJZPGSPK-GOSISDBHSA-N 401.340 4.361 0 1 HIAF O=C1c2ccccc2-c2cc(-c3cn(Cc4ccccc4)nn3)nc3ccc(O)c1c23 586988892 ZDWSDFORABUBEU-UHFFFAOYSA-N 404.429 4.459 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587087717 NZARSQIHILVERP-UHFFFAOYSA-N 402.907 4.395 0 1 HIAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(Cl)nc2[nH]1 587167709 QSSXLOZTXYRUAY-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587558555 WZTFPXFXWAJINV-ISPUEKSMSA-N 414.429 4.184 0 1 HIAF CN(C)CCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587572444 PMFDMTQQXIBCTD-RDGATRHJSA-N 419.477 4.426 0 1 HIAF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590293 SFKKDALKNUIMSQ-GBXCKJPGSA-N 415.401 4.124 0 1 HIAF Cc1[nH]nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Br 587680898 QSWUAHZHCBCTJN-UANNBLPKSA-N 403.093 4.006 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)ncnc2Cl)N1 587704541 JHBAUAMNZWUTLA-KWKYVRJSSA-N 405.098 4.483 0 1 HIAF C/C(=C\[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587739205 GNUUIFOHXFYPQD-RNQNORQMSA-N 404.327 4.226 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncn2Cc2ccccc2)N1 587755739 QIYNAFTVYOMADZ-ZUOKHONESA-N 400.295 4.457 0 1 HIAF COc1ccccc1-n1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587761170 STOMVEKKAOVOOI-YUNKPMOVSA-N 416.294 4.406 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCC(=O)O)cc2)N1 587796460 SXJSGOAOCFVNLV-JEOXALJRSA-N 408.267 4.065 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587825151 BLSBQLCMKKYNGD-SDQUIPKPSA-N 408.311 4.229 0 1 HIAF COC(=O)Cc1cc(OC)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1OC 587943298 VCPUCFLDWLZBOJ-UHFFFAOYSA-N 402.274 4.304 0 1 HIAF COc1ccc([C@]2(C=C(SC)SC)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962899000 PSFPLPBLXHXUSG-UWJYYQICSA-N 419.543 4.244 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@@](CCC(=O)O)(c3ccc4ccccc4c3)c3cccc1c32 963014772 AHSZDTQZVZPBMN-CJAUYULYSA-N 400.478 4.002 0 1 HIAF CSc1cccc(N2C(=O)CN(c3ccccc3)C[C@]2(C)C(=O)NC2CCCC2)c1 1772607396 HRCHBQBMBCIWDK-XMMPIXPASA-N 423.582 4.079 0 1 HIAF CC(C)=CCC[C@]1(C)C=C[C@@H](OC(=O)C=C(C)C)[C@](C)(O)C=C[C@H](O)C(CO)=CC1 1857628653 CMSLJHNSPYWASF-TVYALGDOSA-N 418.574 4.164 0 1 HIAF CC(=Cc1csc(C)n1)[C@@H]1CC=CCCC[C@H](C)C(=O)[C@@H](C)[C@H](O)CC(=O)O1 2356512596 YQYQTGREIHNPDS-UQOODKLHSA-N 405.560 4.489 0 1 HIAF CC1=CCCC(C(C)C)=CC(=O)O[C@H](C)CCC(C)=C2OC(=O)[C@@H]3[C@@H]2[C@@H]1O[C@]3(C)O 2356544448 PODFUNZMQLOKFU-KIIGPZATSA-N 418.530 4.191 0 1 HIAF O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)CS2)N1CCCC1 2458803 KJSSXEGRGKQTTH-UHFFFAOYSA-N 404.894 4.354 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2C(=O)c2ccccc2)cc1 3938220 GKKBODHPYCNSJW-UHFFFAOYSA-N 405.397 4.402 0 1 HIAF CCCn1c(=O)c2c(nc(/C=C/c3ccc(Cl)c(Cl)c3)n2C)n(CCC)c1=O 12405395 WOXJOXRVIYCHIO-VQHVLOKHSA-N 421.328 4.194 0 1 HIAF COc1ccc(CN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CCCC[C@H]3C2=O)cc1 13474102 KBHCNHZXGQOFAJ-VQTJNVASSA-N 408.498 4.265 0 1 HIAF COc1cc(C2=C[C@@H]3CCCN3C=C2c2ccc(OC)c(OC(C)=O)c2)ccc1O 14824744 OWAOCJZGKFRTJI-SFHVURJKSA-N 407.466 4.237 0 1 HIAF biogenic CC[C@H]1CC[C@H](NCc2cc3c(cc2OC)[C@H]2C[C@H]2C(=O)N3C)[C@H](c2ccccc2)N1 22451774 KDGDTPNBDMVKHC-XIAWMOHYSA-N 419.569 4.137 0 1 HIAF COC(=O)c1cc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc2oc1=O 27091279 QKNCMPJQSMORNB-UHFFFAOYSA-N 405.406 4.165 0 1 HIAF Cc1c(C(=O)NCCCCCO)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1 66258380 FXIMAZQXUVYWEV-UHFFFAOYSA-N 421.328 4.171 0 1 HIAF O=C([C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1)N1CCCCC1 82085316 YPOBBKVAXVGHRA-QGZVFWFLSA-N 403.935 4.081 0 1 HIAF C[C@H]1[C@@H]2C[C@@H](CC1(C)C)N(C(=O)c1ccc(N3C(=O)c4ccccc4C3=O)cc1)C2 100068533 JBDYWCYCAGIOLC-WDYCEAGBSA-N 402.494 4.384 0 1 HIAF CC(C)c1ccc(N2CCN(CCn3cnc4c5ccccc5nc-4c3O)CC2)cc1 100855459 KNUUIOPRZQVRMC-UHFFFAOYSA-N 415.541 4.187 0 1 HIAF O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCCOCc2ccccc2)C1 103252345 AAPFSKSRMZARSC-KRWDZBQOSA-N 409.404 4.216 0 1 HIAF O=C(O)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 103627667 ZCONSCVKPFDFHR-SFHVURJKSA-N 401.422 4.490 0 1 HIAF COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc2sccc2c1 169695612 WXLKBHGQJVVUQB-VQTJNVASSA-N 407.491 4.408 0 1 HIAF O=C1c2cccc3cccc(c23)N1CCNCCN1C(=O)c2cccc3cccc1c23 473243884 DEAHZFYOUBBDRX-UHFFFAOYSA-N 407.473 4.203 0 1 HIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 586972263 GFFLISBIVCRIRO-OAHLLOKOSA-N 420.332 4.142 0 1 HIAF Cc1ccc2c(c1)OC(=O)C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358794 QKPGXKDADPDAAX-ISKFKSNPSA-N 404.393 4.403 0 1 HIAF C[C@]1(CC(=O)Nc2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371257 BSEMZWMBRSCWLJ-WIYYLYMNSA-N 412.442 4.134 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O 587424380 YMVLFMBPNYQNBZ-HLBDPABLSA-N 401.409 4.015 0 1 HIAF COc1cccc([C@@]2(c3ccc(C(=O)O)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587444918 XHBBQSPLCGKOKB-CJFMBICVSA-N 416.429 4.093 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cn3ccc(Br)cc3n1)CC2=O 587461829 ZGTOKXGUWSQBTQ-QGZVFWFLSA-N 401.260 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3cc(N(CC)CC)ccc31)CC2=O 587467566 FCEJJHJOEWAZRR-DEOSSOPVSA-N 409.482 4.361 0 1 HIAF C[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581288 GTNOPRNDOSODPG-ZPBXOSQXSA-N 411.454 4.122 0 1 HIAF COc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587658940 VOGDORZYCRAWOY-HNNXBMFYSA-N 418.424 4.319 0 1 HIAF Cc1[nH]c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1CCC(=O)O 587795496 XSRHDAWIYUESCI-AYLIAGHASA-N 409.299 4.174 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](CC(=O)O)c3ccccc32)N1 587827653 LPEKRZPKEAVLKG-JNHSQIPHSA-N 404.279 4.328 0 1 HIAF CC(=O)NCc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587847892 MLZWTNNOEKYNTL-XTZNXHDOSA-N 411.340 4.084 0 1 HIAF Cn1cccc1CN1CCc2sccc2[C@]1(Cn1ccnc1)c1ccc(F)cc1 962378517 YOHAPPSVBAOGHJ-QHCPKHFHSA-N 406.530 4.424 0 1 HIAF CC(C)(C)OC(=O)NC[C@@]1(c2ccc(O)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963104125 HERVEJZQCSXPKL-YADARESESA-N 412.505 4.320 0 1 HIAF Cn1c(NCCc2ccc(Oc3ccccn3)cc2)nc2cc(Cl)ccc2c1=O 1772586275 NTKKQGLTLRELEM-UHFFFAOYSA-N 406.873 4.429 0 1 HIAF Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccccc3)C2)n1C 1772592126 AAPXNHMQKBDDJN-XMSQKQJNSA-N 409.559 4.140 0 1 HIAF CC(C)n1cc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cn1 14959013 KAHUCGWTDNGXQT-UHFFFAOYSA-N 410.562 4.134 0 3 HIAF O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 95567579 NNBBKJXCLHUFBF-XMMPIXPASA-N 421.491 4.145 0 3 HIAF CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)cc1 772173 QTPNFNSMBKREKY-RBBKRZOGSA-N 412.917 4.414 0 1 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 772927 LHWZKQRFLAPOMD-RBBKRZOGSA-N 423.875 4.470 0 1 HIAF c1ccc(CNCCCNCCCCCCCNCCCNCc2ccccc2)cc1 3781528 HZKTVSPJAMOCGF-UHFFFAOYSA-N 424.677 4.476 0 1 HIAF Cc1c(C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)oc2ccc(S(=O)(=O)N3CCCC3)cc12 4597980 PYOQMXCODHVKSE-DOXZYTNZSA-N 418.559 4.080 0 1 HIAF CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)O)C(=O)Nc1ccccc1 27643989 BZZVTPZKPMXERH-DENIHFKCSA-N 424.541 4.270 0 1 HIAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CCOC 38346902 SIOAWCOSPMKCAM-OEBXLPCGSA-N 421.603 4.340 0 1 HIAF CC(C)Cn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc21 43010020 ZVNZGJWVJFOWNR-UHFFFAOYSA-N 410.493 4.092 0 1 HIAF C[C@H](C(=O)NCc1ccc([C@@H]2C=CCC2)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73239790 XLVSBBAKCTYGEW-DOTOQJQBSA-N 416.518 4.051 0 1 HIAF C[C@H](NCC(=O)C[PH](O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1 78068320 SEGLZMNVCMJNHY-ZDUSSCGKSA-N 408.306 4.358 0 1 HIAF CN1O[C@@]2(N=C1N)c1cc(-c3cccnc3)ccc1CC21CCc2ccccc2CC1 140806150 KZZBUPSCDNYBQX-SANMLTNESA-N 410.521 4.215 0 1 HIAF O=C(NCCN1CCCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148771202 CESZZHYDGFPQSA-UHFFFAOYSA-N 417.513 4.228 0 1 HIAF CC(C)(C)c1sc2c(NCCN)nc(-c3ccncc3)nc2c1Br 223661217 GKHAJLLZSIGZLE-UHFFFAOYSA-N 406.353 4.184 0 1 HIAF NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccccc3)ncn2)CC1 299870040 VTBCNSSPKIHZTL-XTJBDQBJSA-N 414.553 4.309 0 1 HIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)s1 299883381 RGEAXXYTQNLHHS-UGRQVVPOSA-N 403.500 4.073 0 1 HIAF COC(=O)c1cc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2cc1OC 586901779 ZWDZCMGCVZXFQJ-UHFFFAOYSA-N 406.394 4.010 0 1 HIAF COc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1F 587001986 CVYXGLJXIWRVFG-SECBINFHSA-N 405.223 4.109 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149246 JARKJFVWJNWIOQ-HXUWFJFHSA-N 424.501 4.154 0 1 HIAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Cl)cnc2[nH]1 587168472 XIXHKURAURBGPU-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF Cc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1C 587171433 ZYKPENGFOSTQKK-NRFANRHFSA-N 409.486 4.387 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C[C@@H]1CCCO1 587198143 ZMTUGBWGZGDYSP-ZDUSSCGKSA-N 415.412 4.378 0 1 HIAF CCOC(=O)Cc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587205333 PNVNRFLRCBTBPZ-KRWDZBQOSA-N 403.523 4.150 0 1 HIAF COC(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1OC 587226862 VHQVISBUCLUMKP-OAHLLOKOSA-N 403.479 4.114 0 1 HIAF C[C@@]1(c2ccc(NC(N)=S)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587373779 IUKFVRBVLIFIGC-OFNKIYASSA-N 422.481 4.461 0 1 HIAF COC(=O)c1ccc(COc2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)o1 587404190 PCDHICBGGJICTM-DEOSSOPVSA-N 421.449 4.416 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)(c1cc(C=O)n(C)c1)[C@@H](C2)C3=O 587417194 AJECUKHEJSLORN-CVDCTZTESA-N 407.853 4.191 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(=O)c3ccnn3C)c1)CC2=O 587474842 HSWLSGMXNYOUBA-OAQYLSRUSA-N 406.438 4.004 0 1 HIAF O=C1C[C@](CN2C(=O)CCC2=O)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587501616 BUAREJYTKLHFIJ-DEOSSOPVSA-N 423.896 4.229 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587587991 IXTJXGKKEQTAQO-OFNKIYASSA-N 415.401 4.363 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587728023 QLJBFKYALASZKN-ODXCJYRJSA-N 424.285 4.458 0 1 HIAF COc1ccccc1N1CCN(C(=O)c2nc3cc(C(F)(F)F)ccc3s2)CC1 653851563 PCPVLGBFGCJQHI-UHFFFAOYSA-N 421.444 4.286 0 1 HIAF CC(=O)C[C@@H]1CCCC[C@@]12N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963189441 WPLNBYJXJFSMKZ-WPKBUWHJSA-N 403.828 4.322 0 1 HIAF CCOC(=O)CCC[C@]1(c2cccc(OC)c2)NCCc2c(OC)ccc(Cl)c21 963269482 JSOYPPNAVMZFOL-HSZRJFAPSA-N 417.933 4.480 0 1 HIAF C[C@@]1(CC(F)(F)F)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963414239 JPTRXQGELGITBK-LAUBAEHRSA-N 416.399 4.487 0 1 HIAF CC(=O)N[C@@H](C)c1ccc2nc(N3CC(Oc4cccc(OCC5CC5)c4)C3)oc2c1 1772588077 OQORVSGUAORZBX-HNNXBMFYSA-N 421.497 4.081 0 1 HIAF Cc1cc(C)c(CN2CCc3c(Cl)cc(-c4cn[nH]c4)c(Cl)c3C2=O)c(O)n1 1772645527 MQFPEQKHLBSYOY-UHFFFAOYSA-N 417.296 4.299 0 1 HIAF O=C1N(CC2CCN(Cc3ccccc3)CC2)c2ccccc2[C@@]1(O)c1ccccc1 1857593054 KMAVHHFYENQDNL-MHZLTWQESA-N 412.533 4.181 0 1 HIAF 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@]1(O)CCCCO 2356689280 DJVDLKHAJBHWLE-DYCCMHGFSA-N 418.618 4.422 0 1 HIAF O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl 991158 ARUWEFSTJOPALX-UHFFFAOYSA-N 422.293 4.442 0 1 HIAF O=C(c1ccccc1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2 13493093 AFXANIIGPDJVPQ-HSZRJFAPSA-N 410.429 4.002 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3CCC(=O)CC3)CN(C)[C@@H]1C2 27519176 OPRMTQOPGCSFLB-ODOSVJCGSA-N 408.542 4.237 0 1 HIAF O=C([C@@H](O)c1ccc(O)cc1)n1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1 28969897 RYIBSKICTMDCHH-QHCPKHFHSA-N 401.418 4.313 0 1 HIAF biogenic COc1ccc(N[C@H](C(N)=O)c2cc3cc(Br)ccc3nc2Cl)cc1 31905883 SXCPLXQGYVPSRQ-INIZCTEOSA-N 420.694 4.298 0 1 HIAF Cc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)ccc1C(=O)Nc1cccc2cccnc12 62178811 ALLIBFSANMMTDT-NEAWWFDSSA-N 423.472 4.107 0 1 HIAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 64393135 XXEYLJLVKQNJRK-GGPKGHCWSA-N 406.532 4.120 0 1 HIAF O=C(c1csc(-c2ccncc2)n1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 71297144 VUJYIIWLRJBFNL-NHCICSSKSA-N 419.550 4.498 0 1 HIAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 73163533 KCGXXRBMPRXFSA-SZOQZIPDSA-N 406.448 4.348 0 1 HIAF CN(CC(=O)OCCC1CCCCC1)C(=O)c1csc(Nc2ccccc2)n1 82085861 WWDBCMMSLBHBCU-UHFFFAOYSA-N 401.532 4.472 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccccc1F 82152719 BNTRUSGOKWQYGP-MRXNPFEDSA-N 422.504 4.474 0 1 HIAF CC(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCc1ccccn1 82187412 QBXMGHKRVGFHOL-UHFFFAOYSA-N 418.520 4.456 0 1 HIAF Fc1cn(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12 84614440 JAUQXVXTUFWMRU-UHFFFAOYSA-N 423.517 4.119 0 1 HIAF COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@H]3CCCCN13)OC(=O)/C=C/c1ccc(O)c-2c1 105357262 CDTGNBVPXHNHGE-ZBCPLVNMSA-N 421.493 4.401 0 1 HIAF CCOC(=O)CCCCCOc1ccc2cc(C[C@H]3SC(=O)NC3=O)ccc2c1 137225991 NVNXQLMGRJETRO-LJQANCHMSA-N 415.511 4.236 0 1 HIAF 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]4C[C@@H](O)[C@@]32C)O[C@]12CCCCO2 138046209 HFWFMXHILGQMNK-BZUYBMRVSA-N 416.602 4.439 0 1 HIAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCCCC1 143845434 YYZXZBUBMJOSPR-AQTBWJFISA-N 410.493 4.078 0 1 HIAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1)CC3=O)C=C[C@@](C)(CO)O2 144724059 JBYKRTWBBLFUGO-CPJSRVTESA-N 422.477 4.470 0 1 HIAF COC(=O)C1=C[C@@H]([C@@H](C)[C@@H](OC)c2ccccc2Br)[C@H]2OCCC[C@@H]12 195481029 COSCUZRDNFVXDW-XIBLETAISA-N 409.320 4.297 0 1 HIAF O[C@@H](COc1cccc(-c2ccc3ncoc3c2)c1)CN1CCc2ccccc2C1 219738367 DSMCWHFMQZMIHL-JOCHJYFZSA-N 400.478 4.293 0 1 HIAF CN(C)CCOc1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586900473 KKFIJEDRXMWWNG-UHFFFAOYSA-N 405.454 4.155 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc3ccccc3cc2[nH]1 586938585 WPNOPBNBKRUMIF-SFHVURJKSA-N 411.552 4.489 0 1 HIAF Cc1nccc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc12 586967971 HZQITFVAWDSBGF-OKILXGFUSA-N 420.542 4.115 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)c(O)c(OC)c3)nc2c1 587046383 QNCSXLIKEFNXLP-UHFFFAOYSA-N 411.639 4.147 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4ccccc4F)n1)[C@@H](C2)C3=O 587426397 MOZSXWUJRSBBBF-QKKBWIMNSA-N 424.453 4.464 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4ccc(F)cc4)n1)[C@@H](C2)C3=O 587429115 SOSWXCASEJYGDW-HRAATJIYSA-N 424.453 4.464 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccc(C)nc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587454153 VFPFOSJNTRRRSW-BXKMTCNYSA-N 418.518 4.222 0 1 HIAF Nc1ccc(O)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587507262 BMKYNSPOEHQJDP-SANMLTNESA-N 411.457 4.307 0 1 HIAF C[C@@]1(c2ccc(NC(=O)CCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587513829 UOPZTSDVDJTIFW-DEOSSOPVSA-N 407.466 4.249 0 1 HIAF O=C(O)CC[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569769 JFVLGORJRGBERP-NFBKMPQASA-N 408.381 4.253 0 1 HIAF CC(=O)OC[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590763 ALMRWAXBOUJPIA-ZJSXRUAMSA-N 404.418 4.121 0 1 HIAF CN1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(C=O)c21 587592692 IOZWZQIGVOWPGX-OFVILXPXSA-N 415.445 4.290 0 1 HIAF COc1ccc2c(c1)OCCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613371 XPGQHRAUILCTRT-URXFXBBRSA-N 404.418 4.431 0 1 HIAF COc1nc(N2CCCC2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587766601 OGXDVLZXROFFRK-BLVKFPJESA-N 420.326 4.216 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(C2CCOCC2)N1 587779342 RDJRYJOQCOYXCA-RBZFPXEDSA-N 405.311 4.188 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587828970 PJGMTYORJWEINK-AYLIAGHASA-N 408.267 4.302 0 1 HIAF COc1cccc(OC)c1[C@@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186564 KYOZPCRYZYBOBV-PIGZYNQJSA-N 415.795 4.064 0 1 HIAF CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)CCC4)c2)cs1 1259861651 XRXQSJJCMPRDDS-UHFFFAOYSA-N 413.524 4.058 0 1 HIAF COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(OC)c(OC)c4)ccc32)cc1 1857764515 SFZRPDPHUBKOIW-UHFFFAOYSA-N 403.434 4.109 0 1 HIAF CCc1ncc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)cn1 12072806 SPLZQXIUUFYEIK-GOSISDBHSA-N 407.543 4.013 0 3 HIAF COc1ccc([C@](C)(NC(C)=O)c2nc(-c3ccc(F)cc3OC)cs2)cc1 61905151 MMONYHUKMLLPLE-NRFANRHFSA-N 400.475 4.366 0 3 HIAF NC(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccccc2Cl)c1 205220937 JFYLRTQNJGPFHW-UHFFFAOYSA-N 406.869 4.169 0 3 HIAF C[C@@]12C(=O)N(C3CC3)CC(=O)N1C[C@@H](c1ccccc1Cl)c1c2[nH]c2ccccc12 2122582 FFHRMBQQWLKXFD-BXKMTCNYSA-N 419.912 4.015 0 1 HIAF biogenic Cc1c(C(=O)N2CCCC[C@H]2c2cccnc2)sc2nc3n(c(=O)c12)CCCCC3 6781927 DTQVNTNPJMOKTA-KRWDZBQOSA-N 422.554 4.255 0 1 HIAF COc1cccc([C@@H]2Oc3ccc(OC)cc3C[C@H]2OC(=O)NCc2ccco2)c1 8682054 OFLBBVWDRHCBLX-YADHBBJMSA-N 409.438 4.268 0 1 HIAF O=C(O)C[C@@](O)(CCSCCCCCc1ccc(Cl)cc1Cl)C(=O)O 13758164 PEBJIYTXHVGTBI-KRWDZBQOSA-N 409.331 4.120 0 1 HIAF O=C1NCN(c2ccccc2)C12CCN([C@@H](c1ccccc1)c1ccccc1F)CC2 28886128 GOCDZUODHAZKGO-DEOSSOPVSA-N 415.512 4.344 0 1 HIAF O=c1[nH]c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2c2c1CSCC2 49067008 KRTTZUJTZCNRDG-UHFFFAOYSA-N 420.578 4.403 0 1 HIAF CN(C(=O)C(C)(C)c1ccc(F)cc1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 68204189 XLTZZWIVALRROO-GOSISDBHSA-N 422.500 4.159 0 1 HIAF CC(C)N1C(=O)N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223923 VRNHCGWRSOWEIE-UUOWRZLLSA-N 401.466 4.000 0 1 HIAF CC(=O)OC[C@]1(O)C[C@]23CC[C@H]4[C@](C)(COC(C)=O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 100777062 OQDCKOUFTOKDOD-YFEFPGCXSA-N 406.563 4.257 0 1 HIAF endogenous,in-man Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CSc3ccccc3)CC(C)C)cc12 101789841 UZBJMNKDRIWFSB-JOCHJYFZSA-N 412.511 4.004 0 1 HIAF CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 103192530 TYBBVSJMJWRIGU-UHFFFAOYSA-N 407.706 4.149 0 1 HIAF CC1CCN(c2c(S(=O)(=O)c3cccc(C#N)c3)cnc3cc(F)ccc23)CC1 137713142 SYTLQCJCQFQHCA-UHFFFAOYSA-N 409.486 4.315 0 1 HIAF CC(C)[C@@H](N)C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 299836461 NHLCUSLVCCRVTM-JOCHJYFZSA-N 409.961 4.241 0 1 HIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1 586937967 SVAPVYMGQPXUBV-LBPRGKRZSA-N 422.348 4.378 0 1 HIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cc(C)cc3[nH]2)cc1 586938018 UAFABIHVLXPOBU-GFCCVEGCSA-N 422.348 4.378 0 1 HIAF Cc1c(F)ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587169277 AMSQZRWREWYFNG-FQEVSTJZSA-N 413.449 4.217 0 1 HIAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587203745 SRTAMNYFHIZKTD-AWEZNQCLSA-N 407.348 4.024 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587232050 RYKMGTZISFPYBM-MNOVXSKESA-N 419.831 4.151 0 1 HIAF NC1CCC(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1 587256732 PTCPRSHJVPSKPI-UHFFFAOYSA-N 404.923 4.002 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)NC(C)(C)C)cc1)CC2=O 587469493 IOKHFXXBHJZSJL-OAQYLSRUSA-N 411.498 4.345 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(C)cc1C)CC2=O 587478385 FXBGFIOILHPTDW-RUZDIDTESA-N 424.493 4.345 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(c3ccccc3)C[C@H]1C(=O)OCC)CC2=O 587480977 XBEPMCPNTWFEIK-CPJSRVTESA-N 423.509 4.138 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccsc1C(=O)OC)CC2=O 587493898 IOFRTGHUKFUEFF-QKVFXAPYSA-N 404.484 4.384 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1-n1cccn1 587570415 KOKQEMFONVHMBS-NZQKXSOJSA-N 402.381 4.420 0 1 HIAF CC1=C[C@@]2(CC(=O)N1Cc1ccco1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587579841 AAYQFIBQTJROGM-QPPBQGQZSA-N 417.417 4.022 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 587584424 XVAOLTXFXTXJSB-MOADCYBESA-N 401.462 4.245 0 1 HIAF C[C@]1(c2ccc(N3CCCC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594231 MBQRYAGDAANRRN-WIOPSUGQSA-N 415.445 4.396 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(C(F)(F)F)cc2)N1 587709851 BIHWQHOQDLLMMX-QGHHPUGFSA-N 418.228 4.377 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)NC3CC3)cc2)N1 587742146 JOYDSMVQDJRLBI-WYRIXSBYSA-N 403.295 4.104 0 1 HIAF Cc1ccc([C@@]2(c3nccn3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587757068 URGLQVPSNKURBZ-LHSJRXKWSA-N 414.322 4.456 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc3ccccc3c12 587791646 KJJQYGFLWOESTK-FIKIJFGZSA-N 411.274 4.471 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2nccn2C)N1 587850702 DXIXUPZVOFFECR-BBATYDOGSA-N 406.324 4.209 0 1 HIAF Cc1csc(C(=O)Nc2ccc(F)c([C@@]3(C(F)F)NC(=N)CCC3(F)F)c2)n1 1772589135 FQFYIKGRQWRTRM-KRWDZBQOSA-N 418.391 4.299 0 1 HIAF CCOCc1ccc(-c2cc(=NC(=O)CCN3CCCC3)c3cc(F)ccc3[nH]2)cc1 1857581099 OUJBZZBMINVWLE-UHFFFAOYSA-N 421.516 4.424 0 1 HIAF CC(=O)O[C@H]1CCC(C)=C[C@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC[C@@H](OC(C)=O)[C@@]12C 2356498645 ZJOXMWJKQWLNFX-BTPPTMBQSA-N 416.514 4.194 0 1 HIAF O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)Nc1ccc(Cl)cc1 4967039 SHDCTIOWBWLTNJ-UHFFFAOYSA-N 412.946 4.224 0 3 HIAF CC(C)(C)NC(=O)[C@H](C1CC1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 95571565 MQCWVQDWMXXHLX-QFIPXVFZSA-N 414.509 4.411 0 3 HIAF COc1ccc(OC)c(CNc2ccc(O)c(C(=O)NCCc3ccc(F)cc3)c2)c1 1662723 JDIAZOCYHZJULP-UHFFFAOYSA-N 424.472 4.133 0 1 HIAF O=c1c2ccccc2nc(N2CCN(c3cccc(Cl)c3)CC2)n1-c1ccccc1 4924284 RIEHUJZGGHFBOU-UHFFFAOYSA-N 416.912 4.366 0 1 HIAF CN1C(=O)c2c(nc(Cc3ccccc3)n2CC2CCCCC2)N2C1=N[C@@H]1CCC[C@@H]12 13763736 DDEYHCUUMKVINB-UXHICEINSA-N 417.557 4.237 0 1 HIAF CCCc1c(COc2ccc3c(c2)CC[C@@H](CC(=O)O)C3=O)ccc(C(C)=O)c1O 13824182 CECXFVCSDWXOBN-INIZCTEOSA-N 410.466 4.346 0 1 HIAF OCCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(C(F)(F)F)ccc32)CC1 22940747 SBIYOKBEEKCRRW-PZJWPPBQSA-N 408.439 4.031 0 1 HIAF COc1ccccc1N(C(=O)[C@@H](C)OC)[C@H]1CCN(CCc2ccccc2)C[C@H]1C 36215839 DGHGOWMPBMIXER-SJBKTWHCSA-N 410.558 4.016 0 1 HIAF CCCC[C@@H](CC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(Cl)c(F)c2)C(=O)O1 40406857 ZNLUECRWFKKEBI-MFKFKSQGSA-N 412.885 4.300 0 1 HIAF Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1 63298366 QPORZABOFXPRHM-UHFFFAOYSA-N 418.482 4.478 0 1 HIAF CCCCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 82081449 DBIBTYXPBMBNAX-FQEVSTJZSA-N 405.498 4.263 0 1 HIAF Cc1ccc(-c2nc3c(NCc4cccc(F)c4)ncnc3n2C[C@H]2CCCO2)o1 82181652 ZXZXQFLVZQNDQV-QGZVFWFLSA-N 407.449 4.325 0 1 HIAF CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185552 UDOXWPHIPACNAO-IBGZPJMESA-N 420.492 4.322 0 1 HIAF CC[C@@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2ccc(-c3ccccc3)cc2)n1 82219391 DOGNOFOLDANIHM-GOSISDBHSA-N 416.525 4.493 0 1 HIAF COC(=O)[C@@H]1C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C 95556518 AWDBWNSWVGTRMV-DHLKQENFSA-N 410.473 4.185 0 1 HIAF COc1ncnc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1 167723618 AERREAAADMJGLC-SFHVURJKSA-N 424.526 4.180 0 1 HIAF COc1cccc(OC)c1[C@@H]1SCC(=O)N1c1cc(C)c(Br)c(C)n1 169351043 CNQQWJUSWKNJCB-SFHVURJKSA-N 423.332 4.257 0 1 HIAF COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C/c2ccccc2)cc1 205825129 GUHPVCBLEFHZPV-DEDYPNTBSA-N 413.433 4.150 0 1 HIAF C/C=C(/C)C(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)CC[C@H](O)[C@@H]2C 238753984 TYOANDKPHLTYEY-WYMSAJDYSA-N 400.471 4.477 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1cccc(C)c1 261172376 UAEARLCQKPWWAC-FQEVSTJZSA-N 404.466 4.320 0 1 HIAF Cc1c(O)nc(Nc2ccc(Cl)c(S(=O)(=O)C(C)C)c2O)nc1C(C)(C)C 299833370 KRVZWCBWJCTLQK-UHFFFAOYSA-N 413.927 4.073 0 1 HIAF Cc1cncc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c12 586964036 WEOJPGFDFFZBHE-UHFFFAOYSA-N 412.906 4.051 0 1 HIAF O=C(O)c1cc(F)cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586998610 MBINZKRCDNHEAX-UPHRSURJSA-N 405.179 4.062 0 1 HIAF Clc1ccc(-n2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)nn2)cc1 587075037 DNQDAVJUIUPDJU-UHFFFAOYSA-N 410.062 4.275 0 1 HIAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nc(Br)c[nH]c-2n1 587076082 IKECHSFVPUCWEK-UHFFFAOYSA-N 402.639 4.155 0 1 HIAF CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1OC(F)F 587131381 ZIVYBPAXCREGRJ-XQRVVYSFSA-N 401.369 4.064 0 1 HIAF Cc1cc(Br)cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 587234648 SGKWWTKHNSMYGD-UHFFFAOYSA-N 424.339 4.289 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)OCC(F)(F)F)c1)[C@@H](C2)C3=O 587418081 AAMHYFBMYMPSHO-YWZLYKJASA-N 421.371 4.469 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(NC(=O)C(C)(C)C)c(Cl)n1)[C@@H](C2)C3=O 587420917 KAHLJJWEUWOFAP-SGTLLEGYSA-N 400.862 4.217 0 1 HIAF C[C@]1(c2ccc(NC(=O)/C=C/C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514942 YODHTAXTYYBCBR-JHUUHBRDSA-N 405.450 4.025 0 1 HIAF Nc1ccc([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577437 KIVIALXUOSLQNB-RCZVLFRGSA-N 410.429 4.275 0 1 HIAF C[C@H](O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588217 JZKNLEXEOWJVHA-KLGSUFROSA-N 401.418 4.111 0 1 HIAF CC(=O)N1CCc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587592545 HVMOEXXVYAUQIU-RCZVLFRGSA-N 415.445 4.178 0 1 HIAF CN(C)c1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587616256 ZKJUWWWTAIHTGR-XJKSGUPXSA-N 402.859 4.271 0 1 HIAF Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651275 GKDPRESTKHIXMJ-MRVPVSSYSA-N 419.190 4.128 0 1 HIAF CCCNc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587853930 SIKYPJCXIQYEAI-YPMLDQLKSA-N 412.372 4.973 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ncccn3)n2)N1 587856710 YZBGBGYBWXTIEN-RFAUZJTJSA-N 405.296 4.125 0 1 HIAF O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)n1nc2cc1Oc1ccc(F)cc1-2 587875311 JFRSCZBDJKKKFV-UHFFFAOYSA-N 424.391 4.183 0 1 HIAF CO[C@H](C)COC1CCC(c2nc3ccc(I)cc3[nH]2)CC1 587950221 AEJXPWQJUGNXKJ-LKSINWNRSA-N 414.287 4.245 0 1 HIAF Cc1ccc2c(c1)[C@]1(CC(=O)O2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962645893 TVBRBPRRFHFXDX-CUNXSJBXSA-N 410.517 4.295 0 1 HIAF CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(-c4cncc(F)c4)cc3[C@@]23N=C(C)C(N)=N3)C[C@H]1C 1772609807 LRKONDKPAUBJIK-KOSOGBMQSA-N 420.532 4.496 0 1 HIAF COc1cc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)[nH]c2cc1OC 1857609565 NGZMZPLJZNSIHW-UHFFFAOYSA-N 421.453 4.335 0 1 HIAF Fc1ccc(-c2cnc([C@H]3COCCN3Cc3cnc4ccccc4c3)[nH]2)c(F)c1 2356299487 ISFPIPXRECBYSF-JOCHJYFZSA-N 406.436 4.477 0 1 HIAF CC(C)=CCc1ccc(O)c2c1[C@@H](c1cc(C)cc3c1O[C@H](C(C)(C)O)CO3)OC2=O 2356325554 PIRIAKYXNOUWPI-WMZHIEFXSA-N 424.493 4.380 0 1 HIAF CCCC[C@H](CC1=CCN=C1)[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 2356818244 DRXKBLFMRWTLGS-OFNKIYASSA-N 415.530 4.432 0 1 HIAF CCCCC[C@@H]1OC(=O)c2c(C)cccc2Oc2ccc(O)c(CO)c2C=C[C@H]1O 2356829329 IXKMZTKNAYOHND-CTNGQTDRSA-N 412.482 4.479 0 1 HIAF CS(=O)(=O)c1ccc(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)cc1 61930162 WEZNBSFIBAOAMA-INIZCTEOSA-N 407.948 4.186 0 3 HIAF COc1cccc(CN2C(=O)COCc3cc(-c4cccc(NC(C)=O)c4)ccc32)c1 205227620 OMGRNPZUDSUFIN-UHFFFAOYSA-N 416.477 4.384 0 3 HIAF COc1cc([C@H]2c3c(ccc4ccccc34)C(=O)[C@H]3CCC(=O)N23)cc(OC)c1OC 1654627 IICTUDOZPQPQOD-JPYJTQIMSA-N 417.461 4.142 0 1 HIAF O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCN1CCCc2ccccc21 13644918 KNVOULAIZRSUIY-UHFFFAOYSA-N 414.513 4.096 0 1 HIAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCc4ccccc4C3)[nH]2)c1 26979687 SXSCQNHPXUWSQP-UHFFFAOYSA-N 410.539 4.042 0 1 HIAF COC(=O)c1cc2c(c(C)c1C(=O)OC)C(C)=C[C@H]1[C@@](C)(C(=O)OC)CCC[C@]21C 27525021 SPRAEOJLDYPFQW-VEYWIMSWSA-N 414.498 4.222 0 1 HIAF COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(F)c(F)c1 27846143 AUEJSGHQMYJFRP-URXFXBBRSA-N 414.496 4.126 0 1 HIAF O=C(CC1CCNCC1)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1c1cccc(O)c1 38346954 UMURMRMRPSZQBP-DEOSSOPVSA-N 423.944 4.391 0 1 HIAF COc1ccc(N2CC=C(c3ccc(F)cc3)C2=O)cc1OCCN1CCC(C)CC1 40575365 YOCKKGSQLPUMJO-UHFFFAOYSA-N 424.516 4.375 0 1 HIAF Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 40829435 ZTESOUAADVEJOU-KDURUIRLSA-N 405.542 4.441 0 1 HIAF NC(CO)(CO)CCc1ccc(-c2ccc(SCc3ccccc3)cc2F)cc1 49055677 HVTDFKFCTFMBEN-UHFFFAOYSA-N 411.542 4.400 0 1 HIAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)co1 82069369 IFXVLUVFUQVETI-LJQANCHMSA-N 409.530 4.199 0 1 HIAF COc1ccc(-c2nc3c(NCC(C)C)ncnc3n2CC[C@H]2CCCN2C)cc1 82177796 WULDEQIROPDOQU-GOSISDBHSA-N 408.550 4.054 0 1 HIAF COc1cccc(-c2csc(N3CCC[C@@H]3C(=O)NCc3ccc(C)cc3)n2)c1 82195670 HMFIAWAEBAUGGJ-OAQYLSRUSA-N 407.539 4.412 0 1 HIAF CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C(=O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321 95862730 MQDRUGPJOPOTJB-RNZQLXDUSA-N 422.521 4.267 0 1 HIAF COc1ccc(-c2[nH]c(C(=O)NC[C@H]3CCCO3)cc3c4ccccc4nc2-3)cc1 102474393 CLWNGCIQDFFMPZ-QGZVFWFLSA-N 401.466 4.252 0 1 HIAF CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cnc3ccccc3n2)C2=C(O)CCCC2=N1 104036242 YMCSIVOVILBPRX-HSZRJFAPSA-N 411.465 4.472 0 1 HIAF Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1C 169293196 AMZDKPJJASZWNB-QKAMWDBCSA-N 412.489 4.113 0 1 HIAF CCC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(I)c(Cl)c1)N2 169341436 IPBBJWDRJMAEIL-FJXFWJLJSA-N 403.691 4.148 0 1 HIAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3nc(N)c4ccccc4n3)c2F)cn1 224569476 WCCMLGFOOPCMNI-UHFFFAOYSA-N 402.433 4.450 0 1 HIAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OC2CCC3(CCCC3)CC2)cc1F 261155864 PXSMXHMENKJPQN-UHFFFAOYSA-N 403.903 4.050 0 1 HIAF CC(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 586934756 AQROXOHHOWKFOB-GOSISDBHSA-N 405.907 4.095 0 1 HIAF CC[C@H](c1nc2ccc(OC(C)C)cc2[nH]1)n1cc(I)c(C)n1 587184628 JZLVZMWXJQQNLP-MRXNPFEDSA-N 424.286 4.459 0 1 HIAF CN1CCN(c2ccc3nc(-c4cccc(NC(=O)CC(C)(C)C)c4)[nH]c3c2)CC1 587241410 CEPJXLHASRBRMP-UHFFFAOYSA-N 405.546 4.356 0 1 HIAF CCc1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344509 CVUGQIMVCWWAQL-GBXCKJPGSA-N 403.409 4.300 0 1 HIAF CCOC(=O)C[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359805 ZUJJTJZXANSCEL-JTHBVZDNSA-N 410.397 4.332 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@]13CCN(C(=O)OCc1ccccc1)C3)O2 587401138 SQUPQSRNOXJLKC-RPWUZVMVSA-N 406.482 4.104 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 587413539 ROVPOVAIAMVVCR-RCZVLFRGSA-N 415.445 4.149 0 1 HIAF C[C@H](C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O 587573454 WPFMSNWAVSJNCY-UHXKVLTISA-N 422.408 4.499 0 1 HIAF C[C@]1(c2ccc(O)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588298 SHASSYDXIZUDBK-HYBUGGRVSA-N 415.401 4.229 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587725353 CSHQOBOXSKIXCB-MPBGBICISA-N 424.285 4.458 0 1 HIAF CCO[C@H](C)c1ccc([C@]2(CN)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587751917 ZZZMEMOYAHFCDO-QTCYRWPVSA-N 421.354 4.422 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCCc2ccccc2)N1 587756610 RIKXHWPUYXYVCH-SZNDQCEHSA-N 419.338 4.087 0 1 HIAF COC(=O)c1oc2c(c1C)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587832157 YWCYKGSALPFOJN-CFMSYZGJSA-N 422.294 4.390 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2nccn2C)N1 587850985 HDZLSWRETNOYKO-ZMZPIMSZSA-N 406.324 4.209 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC[C@@H](CNC(=O)OC(C)(C)C)C1)N(C)[C@@H](C)C2 962644542 YOGOSTZBWIAVSZ-NXHTTZLHSA-N 404.551 4.100 0 1 HIAF O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@]21c2c(F)cccc2C[C@H]2CCCN21 963105414 MEBBRSGVMVTGTE-WGDIFIGCSA-N 413.448 4.381 0 1 HIAF NC(N)=C[C@]1(C2CCCCC2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830887 DCCPZRHZVLJVNI-AREMUKBSSA-N 416.569 4.427 0 1 HIAF COc1cc(/C=C/C(=O)NCCCNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1O 1857569917 JYTDTCCRCOABLO-FLKFIDPISA-N 412.574 4.259 0 1 HIAF CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)cc(-c3ccco3)c2)c2cc(O)ccc21 1857632956 SGHBHEQYKGBHPS-UHFFFAOYSA-N 404.378 4.218 0 1 HIAF COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 4101681 QHTDMJVJHKYWSF-GMAHTHKFSA-N 410.489 4.331 0 3 HIAF COc1cc([C@@H]2c3c(ccc4ccccc34)C(=O)[C@@H]3CCC(=O)N32)cc(OC)c1OC 1654630 IICTUDOZPQPQOD-FDDCHVKYSA-N 417.461 4.142 0 1 HIAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N/Nc3ncccn3)CC[C@]12O 13757539 LCNZGRUILUNNNN-PWHZFGDDSA-N 412.578 4.009 0 1 HIAF CC(C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@@H](C(C)(C)O)C2 14616143 FKONHDPZVQENQZ-MRXNPFEDSA-N 408.450 4.079 0 1 HIAF biogenic,in-vitro COc1cccc(-c2ccc(NC(=O)c3c(C(=O)O)csc3C(=O)O)c(F)c2)c1 14960679 YJIUAZRLJLQKOQ-UHFFFAOYSA-N 415.398 4.212 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)nc1)C1=CCN(c2ncccc2C(F)(F)F)CC1 34873174 ZDZYZKZKQINAPR-UHFFFAOYSA-N 416.325 4.289 0 1 HIAF CC(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@@H]1CCCN1C 82187419 CHIBTJCOUGESAI-FQEVSTJZSA-N 424.568 4.303 0 1 HIAF Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(C)Cc1cccnc1 95586451 JAWZUNMVMJCVAE-UHFFFAOYSA-N 405.285 4.495 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc(Cn2ccnc2)c1 100035717 CQMLBXJDMVUDAY-OBVHCKHUSA-N 409.486 4.133 0 1 HIAF CCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100633152 KNNBOUJMARSVFB-KXBFYZLASA-N 410.539 4.149 0 1 HIAF CCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1C(F)(F)F 136058994 NMUVIUSWLTWQPR-GOSISDBHSA-N 411.420 4.457 0 1 HIAF CC(C)(O)C(=O)N[C@@H]1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 166645126 GZKYUDSORDLWAR-OAQYLSRUSA-N 419.525 4.057 0 1 HIAF Cc1cc(OCCCN2C[C@@H]3CN(C)[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 195360701 ZHACVDSMPRHWEQ-JTSKRJEESA-N 408.521 4.001 0 1 HIAF CC[C@@H](C)CNC(=O)c1cncc(-c2cccc(CN(C)C3CCN(C)CC3)c2)c1 206766625 YDLPZEPKNKMJMB-LJQANCHMSA-N 408.590 4.051 0 1 HIAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3Cc4ccccc43)c2)CC1 210614086 HOJMSFIVJBPRFX-HSZRJFAPSA-N 419.569 4.092 0 1 HIAF COc1ccc(C2=NN[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 299856539 CSEVWTVESMISNT-KRWDZBQOSA-N 424.497 4.344 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)cnc2[nH]1 586936348 LWEJTRMFHWOYEQ-CQSZACIVSA-N 424.979 4.001 0 1 HIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Br)c(C)cc3[nH]2)cc1 586937538 QDLSAVPFLATOHK-GFCCVEGCSA-N 422.348 4.378 0 1 HIAF CN(C)C(=O)COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586988984 VIYCWVKYDLIGON-UHFFFAOYSA-N 424.456 4.286 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(CO)cc3[nH]1)N2 587033366 YWMZFUQBHSGYDW-LWHXSLQUSA-N 400.529 4.182 0 1 HIAF Clc1cnn(COc2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)c1 587082761 VCTWTFFEDBNBLM-UHFFFAOYSA-N 404.655 4.274 0 1 HIAF Fc1ccc(Br)c(-c2nnc(CCc3nc4c(Cl)ccnc4[nH]3)o2)c1 587157447 LUXJXJCGWAERCA-UHFFFAOYSA-N 422.645 4.348 0 1 HIAF N=c1[nH]c2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc-2c(Cl)[nH]1 587158652 IXMQJTQXNTVOAP-AWEZNQCLSA-N 404.232 4.331 0 1 HIAF Cc1nc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2cc1Br 587168575 JYRVVVVEXXOATI-UHFFFAOYSA-N 413.254 4.293 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(Br)nc4[nH]3)c2)c1 587232377 RYJLEBGUUFOIJK-UHFFFAOYSA-N 421.298 4.338 0 1 HIAF Cc1ccc(F)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587337885 SGKPDVWBXXTZEV-XXBNENTESA-N 407.372 4.185 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)([C@@H](C)NC(=O)OC(C)(C)C)O2 587388068 VHCAUSABVWBHRT-VOIUYBSRSA-N 410.514 4.437 0 1 HIAF COc1ccc([C@]2(CC(C)(C)CC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444620 WMXHLITXDFYRRE-KOSHJBKYSA-N 410.466 4.238 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1Cc1ccc([C@@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587446254 BFQKLYWOWBBNHL-SMRGELHISA-N 406.478 4.412 0 1 HIAF Nc1ncc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545162 GTUKOFSICJKIET-YJBOKZPZSA-N 402.328 4.091 0 1 HIAF C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587553295 VGJKBJUTKLEAHE-BTPUUTEISA-N 422.820 4.458 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc(C)cc3OC)nc2c1 587563681 HFNGRZDMGVWFLD-UHFFFAOYSA-N 419.275 4.398 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1-n1cccn1 587570409 KOKQEMFONVHMBS-NFBKMPQASA-N 402.381 4.420 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cncc1Br 587573138 XXGFBHGLRMFKDM-QFBILLFUSA-N 416.202 4.392 0 1 HIAF COCc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587591006 FFPKKUQMUBNEEC-XUZZJYLKSA-N 406.434 4.424 0 1 HIAF CCCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608779 SRXWIZTXOOQMOI-NFBKMPQASA-N 424.474 4.279 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 587872707 SBFZDGWXUFNPMD-UHFFFAOYSA-N 406.417 4.175 0 1 HIAF CC(C)[C@@]1(c2ccc(F)cn2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186835 LJAFPNTXRXDMIJ-ACJLOTCBSA-N 416.802 4.391 0 1 HIAF CN1CCc2c(Br)cccc2[C@]1(c1ccc(F)cc1)[C@@H]1CCCNC1 963290956 ZCYHSZNODRABEI-IERDGZPVSA-N 403.339 4.319 0 1 HIAF COc1cc2oc(=O)cc(-c3ccccc3)c2cc1OCCCCCN1CCOCC1 1772624959 ILKIGEXUTMGHEQ-UHFFFAOYSA-N 423.509 4.350 0 1 HIAF O=C(N[C@H]1CCCN(c2nc3ccc(Cl)nc3[nH]2)C1)c1cc(Cl)cc(Cl)c1 1772645193 DZMXGEVDOJAXKQ-ZDUSSCGKSA-N 424.719 4.317 0 1 HIAF COc1cc(CSc2nc(O)nc(SCc3ccccc3F)n2)cc(OC)c1 1857591209 BUOWGVKCGXNKLQ-UHFFFAOYSA-N 419.503 4.318 0 1 HIAF COc1cc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc(OC)c1OC 1650211 PPQJBLNFEBMMEK-UHFFFAOYSA-N 423.347 4.116 0 1 HIAF Cc1nn([C@H](C)C(=O)N2CCc3ccccc3C2)c(=O)c2c1sc1ccccc12 5135807 ABNZOIAGEDJBFH-OAHLLOKOSA-N 403.507 4.066 0 1 HIAF CN(C)C(=O)N1c2cc(Cl)ccc2-n2cnc(-c3noc(C4CC4)n3)c2C1(C)C 13745331 FBPLGAAGPNWIFM-UHFFFAOYSA-N 412.881 4.190 0 1 HIAF COc1ccc(CC(=O)O[C@@H]2Cc3ccccc3N(C(N)=O)c3ccccc32)cc1 26575456 YTYAAOXHRDHJRT-JOCHJYFZSA-N 402.450 4.295 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3CCC(=O)CC3)CN(C)[C@H]1C2 27519175 OPRMTQOPGCSFLB-FHZYATBESA-N 408.542 4.237 0 1 HIAF COC(=O)c1c(N2CCOCC2)c(-c2ccc(Cl)cc2)cn1C(=O)c1ccccc1 27851304 WANMFPPZXXBREV-UHFFFAOYSA-N 424.884 4.120 0 1 HIAF Cc1ccccc1[C@@H](c1cccc(C)c1C)[S@](=O)CCN1CCC[C@@H](C(=O)O)C1 28902809 SJOHLQSDIATXGF-QTZUSBOUSA-N 413.583 4.247 0 1 HIAF NC(=O)c1ccc2c(c1)CCCN2c1ccc(CN[C@H]2Cc3ccc(F)cc3C2)cc1 66263309 GETAIAPAYGYKHG-QHCPKHFHSA-N 415.512 4.266 0 1 HIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3cccc(Br)c3)ccc12 96905445 KICRZHYHDHCLRE-IBGZPJMESA-N 415.312 4.378 0 1 HIAF Nc1nn(CC(=O)NC2CCCCC2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 96934516 OOWGGEGHTLNVBW-UHFFFAOYSA-N 417.435 4.148 0 1 HIAF C=CS(=O)(=O)Nc1cccc([C@@H](c2c(O)oc3c(c2=O)CCCCC3)C2CC2)c1 100763623 GSGZEKIYJDRTOC-IBGZPJMESA-N 415.511 4.041 0 1 HIAF CN(C(=O)c1c(O)c2ccc(Oc3ccccc3)cc2n(C)c1=O)c1ccc(F)cc1 100814478 WIPWPSFFNIYORR-UHFFFAOYSA-N 418.424 4.452 0 1 HIAF COc1cccc(-c2cc(-c3cc4ccccc4oc3=O)n(C(=O)c3ccncc3)n2)c1 103187746 LTWQZMDGHPDREE-UHFFFAOYSA-N 423.428 4.416 0 1 HIAF CC[C@H](Sc1n[nH]c2c3ccccc3nc-2n1)C(=O)Nc1nc2c(s1)CCCC2 103879008 BKJLPXGMUCZVLT-AWEZNQCLSA-N 424.555 4.302 0 1 HIAF Cc1[nH]c2cn(C[C@H]3CCCO3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN 169730473 AYOPVVONJRFMDB-CYBMUJFWSA-N 406.313 4.201 0 1 HIAF CC[Si](CC)(c1ccc(O)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 170184516 WXPSNDDIOZWKTH-QHCPKHFHSA-N 400.635 4.398 0 1 HIAF Cc1ccc(-c2nnc(C3CC(F)(F)C3)o2)cc1NC(=O)c1cnc2ccccn12 206116596 QMMUKLCBLNXISU-UHFFFAOYSA-N 409.396 4.458 0 1 HIAF COc1ccc([C@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)cc1O 206400672 CXOTZSPGIPIRNU-HXUWFJFHSA-N 418.478 4.181 0 1 HIAF O=Cc1ccc(OCc2occc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 586901329 SICGAVRDRIYYHB-UHFFFAOYSA-N 417.465 4.047 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3nc(Cl)c[nH]c-3n2)c1 587047847 ANQYTZJYAIUKJM-SREVYHEPSA-N 419.272 4.002 0 1 HIAF CC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 587168553 ZJWGDEHDXNFLPB-UHFFFAOYSA-N 415.471 4.434 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1COC3(CCCCC3)N1C(=O)OC(C)(C)C)O2 587394237 RIVZDWVYSGIHBP-MJGOQNOKSA-N 416.518 4.207 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCCS(=O)(=O)c3ccc(C)cc31)CC2=O 587492402 OXOWLFZCHHWIJO-JOCHJYFZSA-N 400.496 4.081 0 1 HIAF COc1ccc(OC)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1OC 587792519 IUFDLVRVJXVPAS-UHFFFAOYSA-N 403.307 4.305 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)s2)N1 587853434 MZQHMUCQOUTNOS-INWYIAFRSA-N 406.118 4.431 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(-c2ccccc2F)c1C 587871327 SYXPMOZNVJYFMT-UHFFFAOYSA-N 408.408 4.410 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)N1 962905536 QKTGGUXBYSKOSH-YJBOKZPZSA-N 406.244 4.211 0 1 HIAF CCOC(=O)c1nocc1[C@]1(c2ccco2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962941355 DRFBRMMOOAZPSW-QKFKETGDSA-N 405.454 4.142 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]31CCN(Cc2ccccc2)CC1(F)F 963045490 GHZMZHAGBRTCLU-HSZRJFAPSA-N 409.480 4.126 0 1 HIAF CSc1ccc(CN2CC[C@@]2(C)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 61902953 SOUZHEJCORHHFJ-VWLOTQADSA-N 423.626 4.154 0 3 HIAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 4547167 SNMXXOWVJDTQSH-UYDNSIRXSA-N 414.590 4.353 0 1 HIAF CN(C(=O)C1(C2(O)CCN(CCc3ccccc3Cl)CC2)CC1)C1CCCCC1 27555729 KLGWIEZYGXYFHV-UHFFFAOYSA-N 419.009 4.281 0 1 HIAF O=C1COc2ccc(OC3CCN(CCOc4cccc5ccccc45)CC3)cc2N1 28338866 HCAWSBHLTGNXKL-UHFFFAOYSA-N 418.493 4.093 0 1 HIAF COc1c(NC(=O)c2cc3ccccc3[nH]2)cc(C(C)(C)C)cc1NS(C)(=O)=O 28710593 GMDHEGQVKCIECG-UHFFFAOYSA-N 415.515 4.098 0 1 HIAF COc1cccc(-c2cccc(S(=O)(=O)c3cc(C(=N)N)sc3SC)c2)c1 29038774 DNRKVTAVFHBGNB-UHFFFAOYSA-N 418.565 4.262 0 1 HIAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H]2CC[C@@H]1C2 29545210 YVESRZGVNDKKMK-CUVALRGFSA-N 411.951 4.234 0 1 HIAF CCOCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1 34105391 LLRDVYHVMMCAKC-UHFFFAOYSA-N 413.255 4.234 0 1 HIAF C[C@@H](Cc1ccc(C2=CCNCC2)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 45195960 ZJLCWHVPJHAQPZ-KSFYIVLOSA-N 404.476 4.336 0 1 HIAF COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@H](CO)N3C)cc1 95869381 YQWIJICZKLPPJF-IEZKXTBUSA-N 420.553 4.253 0 1 HIAF COc1ccc(-c2cc(-c3ccc([C@H]4NC(=O)c5ccccc5N4)cc3)nc(N)n2)cc1 96909912 GVGLGVRAHSBMFI-HSZRJFAPSA-N 423.476 4.256 0 1 HIAF COc1ccc(CN2OC(C)(C)[C@H]3COc4ccc5c(=O)c(C)coc5c4[C@H]32)cc1 96924229 JUBDRQMZJGQFQD-RXVVDRJESA-N 407.466 4.386 0 1 HIAF Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4n[nH]c(=O)n4C=N[C@H]32)cc1 98085191 KPZOFQJHILWGHO-UPVQGACJSA-N 419.488 4.268 0 1 HIAF COC(=O)c1cc2c(OC[C@H](N)Cc3c[nH]c4ccccc34)ccc(Cl)c2n1C 103224938 QXLQVOGIYDMAKL-CQSZACIVSA-N 411.889 4.048 0 1 HIAF COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3cccc(C)c3)[C@H]21 169340480 AKEBNHLOIZADCG-QFIPXVFZSA-N 400.434 4.332 0 1 HIAF Cc1cc(C)c(CC[P@@](=O)(O)CC(=O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 169728573 SGAVRUPPEQUQBL-UHFFFAOYSA-N 406.390 4.275 0 1 HIAF N=C(N)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 587001524 ZGOBSOBXWQIMDK-UHFFFAOYSA-N 421.302 4.284 0 1 HIAF N[C@@H](N=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587018098 UFCVMBSYFQQJML-SFHVURJKSA-N 401.455 4.702 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587043158 POISFSVHKUQLTA-MRVPVSSYSA-N 401.772 4.428 0 1 HIAF CC1=C(c2ccc3nc([C@H](C)c4ccccc4C(F)(F)F)[nH]c3c2)NNC(=O)C1 587096938 FJQIWLHLNFQEST-GFCCVEGCSA-N 400.404 4.489 0 1 HIAF O=C(O)c1cccc2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350973 ITXCWMSVJOFPRG-ZJSXRUAMSA-N 404.393 4.430 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccncc4)c(OC)c1)[C@@H](C2)C3=O 587435063 BFASRLZKZGRJGV-UUOWRZLLSA-N 403.434 4.167 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCN4CCC[C@@H](C)C4)cc1)[C@@H](C2)C3=O 587440470 ZXNWEVPFHVINRV-YFLQWDEBSA-N 407.510 4.295 0 1 HIAF CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453012 QNAFNKRZYRBVHZ-MLCYQJTMSA-N 413.278 4.270 0 1 HIAF C[C@H](C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O 587573452 WPFMSNWAVSJNCY-UCWRBECXSA-N 422.408 4.499 0 1 HIAF C[C@]1(CC(=O)Nc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574063 YQOJRVMDPBRYSN-NZQKXSOJSA-N 407.397 4.280 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc3ccccc3c12 587590773 AMHICHDZKMXRPX-PXDATVDWSA-N 409.397 4.355 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2ccnc2)(c2cccc(F)c2)N1 587736367 ZNAKPHVUCNYQKJ-XCLFUZPHSA-N 418.285 4.402 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587795953 YYDXKENUZMSGIL-NIVTXAMTSA-N 409.299 4.333 0 1 HIAF COc1cc(OC)c2c(c1)OCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587832451 BTQUXIKNPJYQGE-YBTHPKLGSA-N 422.294 4.166 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccccc1C 587867944 SDSSHRVMLNZSFF-ZDUSSCGKSA-N 405.376 4.389 0 1 HIAF Cc1cc(Cl)nnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O 653669348 DZGHOLAHGUXCFV-ZDUSSCGKSA-N 409.873 4.498 0 1 HIAF CCn1cc(C(=O)C[C@]2(C(F)F)c3ccsc3CCN2Cc2cccn2C)cn1 962399429 PQZNPJSMNYIGOP-OAQYLSRUSA-N 418.513 4.095 0 1 HIAF CCc1cnc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)s1 963140977 NZXKVCBKWCVRQB-OAQYLSRUSA-N 423.538 4.093 0 1 HIAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)C[C@@H]3[C@H](C)CC[C@@H]4C5=C(C(=O)O[C@@H]5C[C@@H]4C)[C@@]3(O)C[C@@H]12 2356334597 JZCCXPJAWWWRFI-MTIRGBQESA-N 402.575 4.095 0 1 HIAF CCOC(=O)C1=C(COc2ccccc2)NC(=O)N[C@H]1c1ccc2ccccc2c1 13125912 AJYLPGRFBNFDOA-QFIPXVFZSA-N 402.450 4.090 0 3 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4076041 HSPZVPFUXRJCRH-ZQINRCPSSA-N 406.935 4.017 0 1 HIAF CCN(CC)CCCNC(=O)c1oc2ccc3c(c2c1C)[C@@H](O)CC1(CCCC1)O3 6751318 CPIABGMRWVSNEZ-KRWDZBQOSA-N 414.546 4.332 0 1 HIAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1-c1coc(C)c(OC)c1=O 14441500 YZMKUGIAIUCXMP-UHFFFAOYSA-N 420.417 4.414 0 1 HIAF biogenic,in-vitro CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@@H](C(C)(C)O)O2 14585975 AVIZABGQXBMRCJ-GUYCJALGSA-N 422.477 4.469 0 1 HIAF endogenous,in-man CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)N1 14954358 PDSGDBHQLRAVID-INIZCTEOSA-N 414.387 4.098 0 1 HIAF CC1=C(C(=O)O)[C@H](c2cccc(Cl)c2)C(C(=O)NC/C=C/c2ccccc2)=C(C)N1 28568090 CQONRXCYBUXUES-HWWNHIDJSA-N 422.912 4.489 0 1 HIAF O=c1n(Cc2nc3ccccc3n2CCCC(F)(F)F)c2cnccc2n1C1CC1 28821075 XBNZNKMROIWTHL-UHFFFAOYSA-N 415.419 4.273 0 1 HIAF Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 28889731 MANDXCXRMDOQBT-UHFFFAOYSA-N 409.799 4.352 0 1 HIAF CCN(C)c1ncc(C(=O)NCCCOC)c(-c2ccc(-c3ccccc3)cc2)n1 82159232 FUBTWZSZMYSYJL-UHFFFAOYSA-N 404.514 4.033 0 1 HIAF COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2F)c(C(=O)O)c1 84708154 XTHZZKUCOUQLSB-UHFFFAOYSA-N 408.385 4.037 0 1 HIAF CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(F)c3)C2=O)cc(Cl)c1OCC 96913775 XKZBCKZZQNQRLD-LICLKQGHSA-N 418.852 4.369 0 1 HIAF CCOc1ccc(C[C@H]2C[N+]3=C(NC[C@H]3C)N2CCC23CC4CC(CC(C4)C2)C3)cc1 169721131 LIAFDSHDBCUQMB-HGEZZUASSA-O 422.637 4.279 0 1 HIAF Cc1cc(C)c(-c2noc([C@@H]3CC3(F)F)n2)cc1NC(=O)c1cnc2ccccn12 206126661 GZVKBICARWJUII-AWEZNQCLSA-N 409.396 4.376 0 1 HIAF Cn1c(CN2C[C@@H]3[C@H](COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2ccccc21 253668236 WQJWGQOPARVNRN-BCDXTJNWSA-N 401.432 4.349 0 1 HIAF Cc1cc(N2CC[C@@H](CN3CCC[C@H]3C)C2)ccc1NC(=O)c1ccc(CO)cc1 299845025 DKQIZBBOUKKSND-CTNGQTDRSA-N 407.558 4.050 0 1 HIAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(N)ccnc4[nH]3)c(=O)oc2c1C 586917456 GBEVGOPKLYJSJA-UHFFFAOYSA-N 404.470 4.199 0 1 HIAF O[C@H](c1ccc(Br)cc1)c1nc2cc(F)cc(Br)c2[nH]1 586997820 VVODGOQESLHXKD-CYBMUJFWSA-N 400.045 4.309 0 1 HIAF COc1nccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587033315 YPKBTJHYKFJGDQ-CEXMDJMXSA-N 401.517 4.093 0 1 HIAF CCOC(=O)CCc1c(CC(=O)OCC)nc2cccc3c2c1-c1ccccc1C3=O 587107622 SENXVHFBJXPECB-UHFFFAOYSA-N 417.461 4.048 0 1 HIAF Oc1nccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 587161459 QZNURTKMJLZWTC-UHFFFAOYSA-N 401.195 4.419 0 1 HIAF O=C(Nc1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1)c1ccc(F)cc1 587162610 GSPZVJNCLGJBSG-UHFFFAOYSA-N 401.323 4.382 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]1c1ccc(F)cc1 587327525 GVPOQXNKNFOEAN-XMSQKQJNSA-N 409.800 4.391 0 1 HIAF CN1C(=O)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587333827 CVZCGADLUVKKAC-VWNXMTODSA-N 403.409 4.152 0 1 HIAF O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 587337955 WJPTUJZJCDHXHL-IFMALSPDSA-N 400.352 4.056 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2c(Cl)cc(Cl)cc21 587462990 SJXKXJDQVUFSGK-FQEVSTJZSA-N 406.265 4.489 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H]1COC[C@H]2CN(Cc2ccccc2)C1 587519258 XCBUPRKXMHZLHD-ACWUQQCTSA-N 403.522 4.048 0 1 HIAF C[C@H](NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587569700 GZNUFHGJTUTRFE-AGSBLFPASA-N 417.461 4.380 0 1 HIAF CC(C)(C)OC(=O)[C@@H]1[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587590788 APYZOSDDTLARHH-NYUBLWNDSA-N 410.466 4.336 0 1 HIAF CN1C(=O)CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587599106 ZQUCZTYNQVNZDE-URXFXBBRSA-N 401.418 4.004 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1nccs1)c1nccs1 587620083 WXAKRFFYXRTABV-OAHLLOKOSA-N 408.460 4.211 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2ccnc2)(c2ccc(F)cc2)N1 587732760 JPGATIGSDYNXBK-RNODOKPDSA-N 418.285 4.402 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCc2ccc(F)cc2)N1 587735130 PJAIKTYLCCOMFO-YUNKPMOVSA-N 423.301 4.183 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807578 LVEKXPFZHMNSLR-XCLFUZPHSA-N 406.295 4.124 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1COc2ccccc2O1 587865584 BYTTXOSIYNMNAR-GOSISDBHSA-N 418.371 4.448 0 1 HIAF C[C@H]1CCc2cc(-c3cc4nccnc4cn3)ccc2N1C(=O)c1ccc(O)cc1O 653671924 FHCJWURPGGJVIU-AWEZNQCLSA-N 412.449 4.085 0 1 HIAF O=C(CN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1)c1ccccc1 653769973 NBTIFMNCFHTIAH-UHFFFAOYSA-N 408.505 4.302 0 1 HIAF Cc1cnc([C@@H](C)Oc2cc(-c3cc(N4CCC4)nc(C4CC4)n3)cnc2N)s1 653775796 UXQXXYINRRGDKZ-CYBMUJFWSA-N 408.531 4.113 0 1 HIAF O=C(NCc1ccco1)c1cc([C@]2(C3CC3)c3ccc(F)cc3C[C@@H]3CCCN32)c[nH]1 963104140 HGHMWYIPRGBYLQ-NBGIEHNGSA-N 419.500 4.351 0 1 HIAF NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Sc2ccccc2)cc1Cl 1857611479 IGLDOHLJJIKASI-UHFFFAOYSA-N 424.975 4.201 0 1 HIAF Cc1cc(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)nc2)ccn1 1857747394 ZDFYNSKUMBIVJP-OXJNMPFZSA-N 418.501 4.396 0 1 HIAF COc1cc([C@H]2Oc3cc(OC)c4c(c3[C@H]2CO)CCc2cc(O)ccc2-4)ccc1O 2356433119 XKQDVEXEOLLCBI-IQGLISFBSA-N 420.461 4.090 0 1 HIAF CC(=O)O[C@]1(C)[C@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@@H]2OC1(C)C 2356527383 FUWGTSPULMWHSY-BGWNEDDSSA-N 406.434 4.393 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13C[C@@H](C=C[C@@H]21)[C@](C)(O)C3 2356738321 JUJCSASCNCKTOP-FMWNHXNPSA-N 404.547 4.031 0 1 HIAF CC=C(C)C(=O)O[C@@H]1[C@@]2(C)C=C[C@@]13CC[C@@H]1[C@](C)(CC[C@H](O)[C@]1(C)C(=O)O)[C@@H]3CC2 2356772765 IALKHVRHBAMIIV-SETYNNGWSA-N 416.558 4.499 0 1 HIAF COc1cc([C@@]23CCCN(CC[C@H](C(C)(C)C)C2)C32OCCO2)cc(OC)c1OC 254096190 OLIKGRJYXFKMQB-GAJHUEQPSA-N 419.562 4.203 0 3 HIAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](C)C(C)C)c(OC)c1OC 775944 UBPPUJFETONWAG-ZDUSSCGKSA-N 404.507 4.439 0 1 HIAF CCCCc1nc(CCCC)n(Cc2ccc(-n3c(F)ccc3-c3nnn[nH]3)cc2)n1 1534284 VDZZNCDKBGJLLO-UHFFFAOYSA-N 422.512 4.122 0 1 HIAF CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCCCc4ccccc4)CO[C@H]23)cc1 4236506 AAFRNMHBQQJNCI-OLKYXYMISA-N 424.541 4.116 0 1 HIAF biogenic CC(C)=CCc1cc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@H]2O)ccc1O 14727533 WFHBGCVPESHDKZ-BJKOFHAPSA-N 424.493 4.498 0 1 HIAF biogenic,in-vitro CC(=O)OC[C@]1(CCc2ccoc2)C2=C(C[C@H](OC(C)=O)[C@@H]1C)C(C)(C)[C@H](O)CC2 15161027 KDRXONPTYSVBIZ-WPVBDADRSA-N 418.530 4.211 0 1 HIAF biogenic C[C@@H]1CCC[C@H](c2cc(-c3ccc(N4CCOCC4)nc3)nc3ncnc(N)c23)[C@@H]1C 27984795 LRVYIKQEJRCWSM-NUJGCVRESA-N 418.545 4.045 0 1 HIAF CCCNC(=O)C[C@]1(C)[C@@H](OC(C)=O)CC[C@@H]1[C@@H]1CCc2cc(OC)ccc2C1 28366566 QJIFJABLIXCGPV-VLHNPEIBSA-N 401.547 4.064 0 1 HIAF Fc1ccc(CNc2ncccc2-c2nnc(Nc3ccc4c(c3)OCO4)o2)cc1F 28569567 PTMPRPHKSDMVBM-UHFFFAOYSA-N 423.379 4.494 0 1 HIAF O=C(Oc1cccc(C(F)(F)F)c1)N1CCN(c2ncccc2C(F)(F)F)CC1 49031869 VOPPBFQLAPMDPK-UHFFFAOYSA-N 419.325 4.440 0 1 HIAF COc1cc2ncnc(N(C)Cc3csc(C)n3)c2cc1-c1ccc2c(c1)OCO2 64511994 CHHGLVWMZQWRGT-UHFFFAOYSA-N 420.494 4.435 0 1 HIAF CN1Cn2c3c(c4ccc(Br)cc42)CCN(C)[C@@H]3[C@@H]1Cc1ccccc1 72108893 VMQMWTAVKZBXAC-RBBKRZOGSA-N 410.359 4.447 0 1 HIAF biogenic O=S(=O)(Nc1cc(-c2ccc3nnccc3c2)cnc1Cl)c1ccc(F)cc1 73195719 VCBPUBKXIUCCIO-UHFFFAOYSA-N 414.849 4.285 0 1 HIAF Cc1ccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)cc1 84602401 GMNUDKNXDRQFJE-UHFFFAOYSA-N 419.554 4.288 0 1 HIAF CCC[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 95556444 VUTCGKUHSNNPKV-NGALLESISA-N 406.526 4.434 0 1 HIAF CN1C(=O)[C@@]2(CC(C)(C)Sc3ccc(-c4cc(F)cc(Cl)c4)cc32)N=C1N 95601160 GXJIAAQHNJAEQT-FQEVSTJZSA-N 403.910 4.403 0 1 HIAF Cc1cccc(N2C(S)=N[C@@H]3c4cc(Cl)ccc4O[C@]2(C)[C@@H]3C(=O)N(C)C)c1 101861765 LJUAQGRPCBYPRT-WAOWUJCRSA-N 415.946 4.309 0 1 HIAF C[C@H]1CCc2cc(F)ccc2N1C(=O)CSc1n[nH]c2c3ccccc3nc-2n1 101944539 YCMZSOVLTQKLKS-LBPRGKRZSA-N 407.474 4.057 0 1 HIAF CC(C)(C)NC[C@@H](O)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)c2ccccc12 169317595 DYUGFZMFNUWWGQ-CYBMUJFWSA-N 407.436 4.377 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@@H]4CCCOC4)n3)c(Cl)cn2)CC1 169703704 NDOZPWULCVWYRD-YESZJQIVSA-N 415.969 4.317 0 1 HIAF CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1CC21CCC(OC(F)F)CC1 169708525 BIODWENPZVUOJQ-ZTUNLMCQSA-N 412.278 4.158 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccc(F)cc1C 203333858 SRXVQZBAVRVHHO-FQEVSTJZSA-N 422.456 4.459 0 1 HIAF Cn1cc2c(-c3cc(F)c(Cn4c(=O)cnc5ccccc54)c(F)c3)cccc2n1 220765816 VGTLDUFMYOCHOS-UHFFFAOYSA-N 402.404 4.277 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 299879003 KCCBCRWZISEWHW-XVYJZYCRSA-N 416.521 4.455 0 1 HIAF O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2coc(-c3ccccc3F)n2)CC1 473154335 GJRBVUGTVAGUGQ-UHFFFAOYSA-N 422.456 4.347 0 1 HIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)cc(F)cc2[nH]1 587039056 OYKXCSPGGKFBAM-UHFFFAOYSA-N 414.260 4.330 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)cc2F)c1 587144469 ZKYQWLSFDZAPJP-HXUWFJFHSA-N 420.400 4.467 0 1 HIAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(S)nc(S)nc3[nH]2)cc1F 587150661 NJGJDDVLQLWBBM-CQSZACIVSA-N 402.451 4.377 0 1 HIAF Cc1cc(C)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 587170029 MMAKVUYUEYZZPD-NRFANRHFSA-N 409.486 4.387 0 1 HIAF O=C(O)CCN(CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)Cc1ccccc1 587194078 ZREMLPIQVMNBRR-UHFFFAOYSA-N 409.383 4.240 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc4c(cc32)OCO4)[C@H]1c1ccc(F)cc1 587361204 YCZHQZZGLQBCQV-LADGPHEKSA-N 404.393 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)Oc3ccc(Cl)cc31)CC2=O 587459443 DKMREDLSJZSBDR-NRFANRHFSA-N 400.814 4.220 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ncc(I)s1)CC2=O 587469326 NEDLTYMHBDPKGR-LBPRGKRZSA-N 415.252 4.112 0 1 HIAF Nc1ccc2c(c1N)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587511086 MYLWCYDLMMDKAD-SANMLTNESA-N 410.473 4.183 0 1 HIAF COc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587658904 UXLILCCGCHPORQ-HNNXBMFYSA-N 418.424 4.319 0 1 HIAF COC(=O)CC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587731920 MAJGNFBAZIUXIV-ODXCJYRJSA-N 424.285 4.458 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798912 PQECVVVLHUVXBF-XCLFUZPHSA-N 406.295 4.238 0 1 HIAF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)OC 587801646 MYAKXFZQDDVVIX-NSPYISDASA-N 422.294 4.397 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cscn3)CC2)N1 587853269 LTSPYGBJKPYDHA-LBPRGKRZSA-N 410.356 4.070 0 1 HIAF CC(C)N1CCc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)sc2C1 587856926 JQVNTYGVMYTCGV-ZMZPIMSZSA-N 424.383 4.435 0 1 HIAF CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(Cl)cc4F)ccc1c23 653747663 BRLZOGCXSPADRK-UHFFFAOYSA-N 404.850 4.413 0 1 HIAF Cc1cnc([C@H](C)Oc2cc(-c3cc(N4CCC4)nc(C4CC4)n3)cnc2N)s1 653775797 UXQXXYINRRGDKZ-ZDUSSCGKSA-N 408.531 4.113 0 1 HIAF Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)cc23)ccn1 653849898 OMKSHRGIEVKCAP-HXUWFJFHSA-N 406.873 4.050 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC[C@H](CNC(=O)OC(C)(C)C)C1)N(C)[C@H](C)C2 962644545 YOGOSTZBWIAVSZ-VBURHUQHSA-N 404.551 4.100 0 1 HIAF Cc1ccc([C@]2(c3ccc(Br)cc3)NCCc3nc4ccccn4c32)nc1 962984971 OWENBEKCSRRFMR-QFIPXVFZSA-N 419.326 4.238 0 1 HIAF O=C(Nc1ccccc1)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963231859 RPQOLYGASBKYTL-RPWUZVMVSA-N 423.472 4.175 0 1 HIAF COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](c1ccccc1)C2 1857561654 QMPVAJYKJRMMQD-QGUHJXFESA-N 415.533 4.083 0 1 HIAF COc1cc(N(CC2CC2)c2ccc(F)c(Cl)c2)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O 1857597345 QPKTZUADCFLINH-GJZGRUSLSA-N 418.852 4.334 0 1 HIAF Cc1cc(F)ccc1-c1cccn2[nH]c(=N[C@H]3CCc4c(cnn4C(C)C)C3)nc12 1857751912 PPCFNAVIMUQHPB-SFHVURJKSA-N 404.493 4.013 0 1 HIAF O=C(Nc1c(C(=O)NCc2ccccc2)cnn1-c1ccccc1)c1ccccc1F 751839 MUVVIUNOXSEHKY-UHFFFAOYSA-N 414.440 4.194 0 1 HIAF O=C1Nc2cccc3c2[C@@]1(CCCCN1CCC(O)(c2ccccc2)CC1)CCC3 13473703 DLBOGRHXFSWBTN-RUZDIDTESA-N 404.554 4.367 0 1 HIAF CC(C)Oc1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528596 UGFICLCETJAZBB-UHFFFAOYSA-N 402.443 4.304 0 1 HIAF CCCCNC(=O)C[C@]1(C)[C@@H](OC(C)=O)CC[C@H]1[C@H]1CCc2cc(OC)ccc2C1 28364919 GCRKAIRLYFHXKY-IVIIFCHOSA-N 415.574 4.455 0 1 HIAF Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCc4cccs4)cc[nH]c3=O)nc12 28893864 RTNGMZGXZKCZEF-UHFFFAOYSA-N 402.483 4.086 0 1 HIAF CS(=O)(=O)Nc1cc(Nc2cc(-c3ccccc3)ncn2)ccc1Br 40393466 JSYKRTSXODJXIS-UHFFFAOYSA-N 419.304 4.021 0 1 HIAF Cc1c2c(nn1C(=O)c1nn(-c3ccc(Cl)cc3)cc1O)-c1ccccc1CC2 49068393 DWTHWQFUKBSGGN-UHFFFAOYSA-N 404.857 4.190 0 1 HIAF CC(=O)N1CCC[C@@]1(Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccccc1 49087666 ZGAKVJHXDPZTOY-OAQYLSRUSA-N 405.416 4.372 0 1 HIAF O=C(C1CCCCC1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72142728 HZEFRJAOHMCOAO-QFIPXVFZSA-N 414.500 4.005 0 1 HIAF CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95575297 NTQWFDUPBRGKKM-HSZRJFAPSA-N 412.961 4.430 0 1 HIAF C[C@@H]1CN(C(=O)O[C@@H]2O[C@@H](C(=O)O)[C@H](C)[C@@H](C)[C@@H]2C)CCc2ccc(Cl)cc21 95618913 DGFKLWZCLRDMAF-WMJJPKFWSA-N 409.910 4.156 0 1 HIAF world COc1ccccc1SCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 96939945 JJFIJUPGWUALNJ-KRWDZBQOSA-N 422.550 4.451 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccc(C)o4)[C@H]3c3ccco3)sc2c1 169691848 ITIZJANZAYCPAV-ZWKOTPCHSA-N 420.446 4.255 0 1 HIAF Cc1cc(C)nc(N2C[C@H]3CCN(C(=O)c4ccccc4-c4cccs4)C[C@@H]32)n1 169701368 GFFAVKDUYBZUHO-XLIONFOSSA-N 404.539 4.173 0 1 HIAF O=C1c2cc(-c3ccc(OCC4CCC4)cc3)ccc2OCCN1Cc1ncccn1 206195278 NOSGHHSOTXLUOC-UHFFFAOYSA-N 415.493 4.357 0 1 HIAF CCCCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(Cl)c3)cc2)C1=O 207739490 MSPOFMQUWJWKEP-UHFFFAOYSA-N 408.907 4.150 0 1 HIAF CC/C(C)=C/C(=O)O[C@H]1C=C2[C@H](OC)O[C@@H](OC(C)=O)[C@H]3CC[C@@H]4C(C)(C)[C@@H]1C[C@]234 238776932 WYBPMCYBIZBVKA-OJCXOMTBSA-N 418.530 4.145 0 1 HIAF COc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1F 586960289 ODGHCSSWHPTIEY-DEOSSOPVSA-N 411.296 4.214 0 1 HIAF O=S(=O)(c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1)C(F)(F)F 587016893 GAHAZEBOBQLWOK-UHFFFAOYSA-N 413.402 4.164 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(Br)cnc2[nH]1 587166715 HFIKUJNEWAGRCU-AWEZNQCLSA-N 404.243 4.229 0 1 HIAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587203150 OPMUBXDDKGZIFP-HNNXBMFYSA-N 407.348 4.024 0 1 HIAF COc1ccc([C@]2(c3ccc(O)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587401421 XXOAAVOFIAEOLL-XMMPIXPASA-N 405.450 4.209 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(Cl)c2)n1 587547846 NWAFSRWWJXJDFM-DENIHFKCSA-N 419.824 4.329 0 1 HIAF Cc1ccc(Cl)c2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587552772 SKWQPLFJKOEQCN-HTAPYJJXSA-N 407.809 4.163 0 1 HIAF Nc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1N 587577795 LWCHHNMTGQEKMH-JYFHCDHNSA-N 424.456 4.462 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(F)cc(Cl)c12 587728685 FVMWCMIMFIRILQ-BWKAKNAASA-N 413.649 4.111 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCC(=O)N3)N1 587792975 JBFBMVZRTVVKIW-PRWKNARSSA-N 403.295 4.271 0 1 HIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2N1 587873821 JDUJPMIYHVYMGL-RTHLEPHNSA-N 407.327 3.987 0 1 HIAF COC(=O)c1ccc(-n2c(OC(C)C)ccc2OC(C)C)c(O[C@@H]2CCOC2)c1 587924492 AOYGAYFDSNQKHB-QGZVFWFLSA-N 403.475 4.006 0 1 HIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c2)c1 587933036 IXVFGTYJHRTVSB-UHFFFAOYSA-N 414.509 4.363 0 1 HIAF CC[C@@H](C)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 587956664 UFHMFRGSKYRLOF-GOSISDBHSA-N 419.573 4.119 0 1 HIAF CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)C1 618007263 XIKSKMWFYAYAHG-OAHLLOKOSA-N 400.906 4.182 0 1 HIAF O=C1[C@H](c2ccc(O)cc2)Oc2ccccc2[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963113505 RHXPBTOHAXYVTE-YLORPAJWSA-N 415.464 4.498 0 1 HIAF CC(=O)c1ccc(NC2=C[C@@]3(C[C@@H](C)C2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c23)cc1 963487214 CQFRLLJOTYFHDE-OGLLEDLLSA-N 420.509 4.123 0 1 HIAF Cc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc(CC(=O)O)cc2)cc1 1857648502 IGNJTBLKDYFYRK-UHFFFAOYSA-N 401.509 4.079 0 1 HIAF CC(=O)Nc1ccc(CN2CCOC[C@@H]2c2ncc(-c3ccc(Cl)s3)[nH]2)cc1 2356302534 XXWBLIOEJXNGLS-QGZVFWFLSA-N 416.934 4.324 0 1 HIAF O=C(O)c1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NCc2ccccc2)cc1 6045538 OLRRSVHDIRVOLX-UHFFFAOYSA-N 414.417 4.116 0 3 HIAF COc1ccc(Cl)cc1-c1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)n[nH]1 61930770 CEXLKMVVMFVLGG-UHFFFAOYSA-N 417.849 4.017 0 3 HIAF CC1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2)CC1 13488920 BODZKVYCWCXDCS-UHFFFAOYSA-N 422.569 4.327 0 1 HIAF CC(C)n1cnc2c(NCc3ccccc3)nc(NC[C@@H](O)c3ccccc3)nc21 13834590 UHNMGPMUDCVDGX-LJQANCHMSA-N 402.502 4.165 0 1 HIAF COc1cc2c(cc1OC)[C@@](C)(CCCN1CCN(c3ccccc3)CC1)OCC2 27882224 UVTXCNCYQXWGHF-RUZDIDTESA-N 410.558 4.094 0 1 HIAF CN(C)[C@H]1CCN(c2ccc(NC(=O)CCCC(=O)c3ccc(Cl)cc3)cc2)C1 28126203 IBWPEMBCMSWKSH-NRFANRHFSA-N 413.949 4.472 0 1 HIAF Cc1cccc(CCN2C(=O)COc3ccc(/C=C4\SC(=S)N=C4O)cc32)c1 28883452 VNHMVUOZUOIGQC-WQRHYEAKSA-N 410.520 4.292 0 1 HIAF O[C@@H]1CCCN(CCCNc2nc(Nc3ccc(Cl)cc3)nc3ccccc23)C1 29202961 FLQKJWLGUKSPQC-GOSISDBHSA-N 411.937 4.286 0 1 HIAF COc1ccc(S(=O)(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1 35190805 DBGSOWKGUURCEP-UHFFFAOYSA-N 419.934 4.067 0 1 HIAF O=C(c1cccc(F)c1)c1cnc(-c2ccccc2)n1S(=O)(=O)c1ccccc1 64527205 UGTCMJXBMQTROU-UHFFFAOYSA-N 406.438 4.157 0 1 HIAF CCOc1ccc(C(=O)NN2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2)cc1 64549435 VMHXLMYVNRJVIV-JOCHJYFZSA-N 417.465 4.005 0 1 HIAF COc1ccc([C@@H](OC2CN(C(=O)N3CCCCC3)C2)c2cccnc2Cl)cc1 73258814 VUZLEXOFDZAIHV-HXUWFJFHSA-N 415.921 4.140 0 1 HIAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc(-c2ccccc2)cs1 95576911 SEEDHMYNYINGPE-JTHBVZDNSA-N 403.551 4.245 0 1 HIAF COc1ccccc1S(=O)(=O)N1Cc2ccccc2COC[C@H]1Cc1ccccc1 95837004 PAZMEIINGJELHI-JOCHJYFZSA-N 423.534 4.028 0 1 HIAF CNC(=O)/C=C\c1cc(NC(=O)Nc2cc(C)nc3c(F)cccc23)ccc1OC 206886938 ZWOCCGHEZILGAF-YFHOEESVSA-N 408.433 4.094 0 1 HIAF Cc1nn(C)cc1-c1nc2c(-c3cnn(Cc4ccccc4)c3)c(Cl)cnc2[nH]1 263620546 IDYBEIZHMAGVLB-UHFFFAOYSA-N 403.877 4.232 0 1 HIAF in-vitro N[C@H]1CC[C@H](Nc2ccc3ncc(-c4ccc(Nc5ncccc5F)cc4)n3n2)CC1 299849730 UBOHVLVJBDOZGL-QAQDUYKDSA-N 417.492 4.356 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CNCc2nc(-c3ccc(F)cc3)no2)cc1 299863961 QPBKWWNMNUELRA-UHFFFAOYSA-N 417.444 4.000 0 1 HIAF CN1CCC(Nc2nc(=N)[nH]c3cc(-c4ccc(C(F)(F)F)cc4)sc23)CC1 473091472 YNAWSKAKQWFABF-UHFFFAOYSA-N 407.465 4.296 0 1 HIAF COc1cccc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c12 586931551 YCTYWCAJCCVYQP-UHFFFAOYSA-N 407.495 4.372 0 1 HIAF Cc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Cl 586950475 GKBYZKUVKQQZCO-UHFFFAOYSA-N 418.950 4.457 0 1 HIAF CCOC(=O)Cc1c(-c2ccccn2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988212 NCEIHRFCVHYGPK-UHFFFAOYSA-N 410.429 4.319 0 1 HIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Br)cc3[nH]2)cs1 587014014 GXDQAGIKFYKHNM-UHFFFAOYSA-N 409.309 4.474 0 1 HIAF FC(F)(F)COc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccn1 587091165 GHDVXARXCXYRDQ-UHFFFAOYSA-N 407.577 4.377 0 1 HIAF COC(=O)c1cc(Cl)c2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c2c1 587147786 RLPRPSVPMJNVIV-UHFFFAOYSA-N 402.788 4.349 0 1 HIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)cc(Cl)c3[nH]1)C2 587247717 XSIFTWDRTKSLDV-SFHVURJKSA-N 406.711 4.330 0 1 HIAF CCc1cc(=O)oc2cc(C)cc(OC[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12 587408830 ORAWWOCNQNGFSP-DEOSSOPVSA-N 407.466 4.357 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(Cc1ccc(F)c(F)c1)CC2=O 587465078 AIFRUYPTTDRSTA-JOCHJYFZSA-N 404.409 4.133 0 1 HIAF CN(C)CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573218 SDHPZMWNLOBENB-RDGATRHJSA-N 419.477 4.210 0 1 HIAF Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587612992 MABOPCMEVMTATE-UGKGYDQZSA-N 410.447 4.484 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1cccnc1-c1ncccc12 587778383 MRKSRKBLDVKKLK-FIKIJFGZSA-N 424.273 4.019 0 1 HIAF COc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCCO2 587835592 QJLHMGBQDKOJQY-GIPWTMENSA-N 422.294 4.382 0 1 HIAF COc1ccccc1N1CCN(CCCNC(=O)Oc2cccc3ccccc23)CC1 653851570 SAVFVEFYMIPDEM-UHFFFAOYSA-N 419.525 4.149 0 1 HIAF COc1ccc2c(c1OC)[C@@]1(CCCc3c1cnn3-c1ccc(F)cc1)N(C)[C@H](C)C2 962572100 PQCRITQPNJPKEG-CPJLOUKISA-N 421.516 4.485 0 1 HIAF CCOC(=O)c1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c(Cl)c1 962640666 WYSUOVGSVTVFEU-LRTDBIEQSA-N 403.906 4.500 0 1 HIAF COc1cc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1OCc1ccccc1 963018745 CIXZLDKNHVRVHF-AFMDSPMNSA-N 414.505 4.417 0 1 HIAF CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc21 1772590948 ZYDSDRZMIWGATN-HZPDHXFCSA-N 414.945 4.068 0 1 HIAF CCNC(=O)Nc1cc2nc(C)n(Cc3ccc(Br)cc3)c2nc1C 1338771 NABPCWWFJWVZCG-UHFFFAOYSA-N 402.296 4.000 0 3 HIAF O=C(c1csnn1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1 3956152 DOHDXLBQYWAAFJ-DEOSSOPVSA-N 418.566 4.256 0 1 HIAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl)N1CCOCC1 4208526 FOZLSYYYKUJSRE-IEBWSBKVSA-N 423.271 4.083 0 1 HIAF COc1cc([C@H]2Oc3c(OC)c(Cl)c4ccc(=O)oc4c3O[C@@H]2C)ccc1O 13400391 YAFMPQNTPUSIBR-ABKXIKBNSA-N 404.802 4.070 0 1 HIAF biogenic,in-vitro CN1c2ccccc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1ccccc1F 13525969 SQWPOLRABKPQAP-LJQANCHMSA-N 401.485 4.302 0 1 HIAF C[C@H](O)c1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c(O)c1 13740858 SABFAXRMOAQYKG-HNNXBMFYSA-N 414.477 4.374 0 1 HIAF OCCN1CCN(CCCN2c3cscc3Sc3ccc(Cl)cc32)CC1 19364888 SUJCUNSVAFAKIX-UHFFFAOYSA-N 410.008 4.004 0 1 HIAF FC(F)(F)c1cc(COC[C@@H](c2ccco2)N2CCNCC2)cc(C(F)(F)F)c1 22926929 FMZZTZIGIJHYFN-INIZCTEOSA-N 422.369 4.480 0 1 HIAF COC(=O)C(=Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)OC 29562262 CQWUYGSSXCELKR-UHFFFAOYSA-N 421.449 4.001 0 1 HIAF COc1cccc(CN(C(=O)c2nc3ccc(-c4cn[nH]c4)cc3s2)C2CC2)c1 49785496 BZJZYTQQNKTXOA-UHFFFAOYSA-N 404.495 4.500 0 1 HIAF COc1ccc([C@H]2c3ccc4ccccc4c3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 64393136 XXEYLJLVKQNJRK-NSHGMRRFSA-N 406.532 4.120 0 1 HIAF Cc1ccc(C(=O)CSc2nc(CN3CCCc4ccccc43)cc(=O)[nH]2)cc1 72176442 GESWWJWKVVNQFN-UHFFFAOYSA-N 405.523 4.006 0 1 HIAF COc1ccc(Oc2nc(NCc3ccco3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 82066701 RUQSOMIJRQDZLF-HOTGVXAUSA-N 409.490 4.360 0 1 HIAF O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1 95558177 HZPZDNAFDLIEJH-UHFFFAOYSA-N 423.734 4.149 0 1 HIAF COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(=O)c1ccc(C)cc1 95563938 QMJNWCLUFNKUJE-DEOSSOPVSA-N 417.505 4.131 0 1 HIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccc(Br)s3)ccc12 96905439 SSDULGBDKYYIBO-KRWDZBQOSA-N 421.341 4.439 0 1 HIAF CCOC(=O)[C@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 101007317 BBQBTBVMEIXHOV-CMOCDZPBSA-N 415.480 4.485 0 1 HIAF O=c1c(NCC2CC2)c(Nc2ccnc(Nc3ccc(-c4ccccc4)cc3)n2)c1=O 101595760 WAXRHCHSJASMPS-UHFFFAOYSA-N 411.465 4.049 0 1 HIAF CCCOc1cnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(Cl)c1 169709284 YVFVDSCORUCQCN-HNAYVOBHSA-N 417.937 4.379 0 1 HIAF Cc1noc(C)c1-c1ccc2c(c1)[C@](C1CCCCC1)(N1CCC[C@@H](O)C1)C(=O)N2 219361482 CAAKCQJBYZDXBO-DVECYGJZSA-N 409.530 4.143 0 1 HIAF CC(C)Oc1cc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2cc1Br 586951003 PGPYPLXBQCVBNH-UHFFFAOYSA-N 424.320 4.151 0 1 HIAF COC(=O)c1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586966725 QUKZATDASVOTLN-UHFFFAOYSA-N 419.510 4.159 0 1 HIAF COc1ccc2c(c1N)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339561 UMYUCRLUKPBJLL-XUZZJYLKSA-N 405.425 4.323 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)ncc1Br)O2 587382490 LZPUGHWEYYCAJJ-ZDUSSCGKSA-N 401.182 4.460 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(O)cc2OC[C@H]1c1ccc(O)cc1 587413958 UNRZCUWDKXLGDE-YADARESESA-N 403.434 4.025 0 1 HIAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 587485749 KDAPHCCXJOUQKE-GJZGRUSLSA-N 401.503 4.326 0 1 HIAF COc1cc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587589855 AWVYGGBSWNMKOW-XUZZJYLKSA-N 406.434 4.460 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590444 YKARYDJDXDCICG-ZAEMLHKOSA-N 423.465 4.122 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(F)CN(C(=O)OC(C)(C)C)C2)N1 587723372 XHZODHOBXKWOHP-BMIGLBTASA-N 417.294 4.123 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2cccc(N)c2)N1 587746647 NGOQGIPAKZPQQG-LRTDBIEQSA-N 412.306 4.392 0 1 HIAF Cc1[nH]c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1CCC(=O)O 587788955 AUVZBPWLZVCFHA-HOGDKLEQSA-N 409.299 4.174 0 1 HIAF COC(=O)[C@@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587811852 XMCVZRHTCYLYMV-QRVQBPJGSA-N 404.279 4.026 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)O)(c3ccccc3)C2)N1 587828729 UWDZXQIGEWTTEM-BEVBOREHSA-N 404.279 4.134 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2Cc3ccccc3C(=O)O2)N1 587832340 JNHNAUDDFBDUPS-MGZSFGTLSA-N 404.279 4.119 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCCCCC1=O 587860519 ZBZVEWONWJWPON-UHFFFAOYSA-N 410.301 4.298 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1COc2ccccc2O1 587863110 QUXUQPRERYNZPY-QGZVFWFLSA-N 404.344 4.058 0 1 HIAF c1ccc(-c2csc3ncnc(N4C[C@H]5C[C@H]4C[C@@H]5OCCN4CCCC4)c23)cc1 653763877 QOLPMJXEJYOBKJ-DYXWJJEUSA-N 420.582 4.438 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C(=O)[C@H](c2ccccc2)Nc2ccccc21 963639407 VCEBJRUYZMLPRQ-DTNWAODDSA-N 414.505 4.218 0 1 HIAF O=C(Nc1ccc(C(=O)O)cc1)Nc1cccc(-c2nccc(N3CCCC3)n2)c1 1772574266 XINWKADLWLIZCD-UHFFFAOYSA-N 403.442 4.086 0 1 HIAF O=C(Nc1cnns1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1772577168 WQUDTMIVGBBLQD-UHFFFAOYSA-N 404.282 4.495 0 1 HIAF O=C(Cc1ccccc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccccc1C(F)(F)F 1857751498 WXZXLOQJOWYYDG-QGZVFWFLSA-N 416.321 4.244 0 1 HIAF O=C(O)C[C@H]1CCN(CCCc2ccccc2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356302732 WBSKAKMINJHGJA-RTBURBONSA-N 409.505 4.290 0 1 HIAF CCCCC[C@@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(CO)c2C=C[C@@H]1O 2356496325 UQFUUOPYXCPQFQ-GMAHTHKFSA-N 412.482 4.479 0 1 HIAF Cc1ccc2nc(C[C@@H]3CN(C(=O)Nc4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 2356692754 KHDKJOAEIMFBOG-DLBZAZTESA-N 406.486 4.059 0 1 HIAF C[C@]1(C(=O)NCc2cccc(Cl)c2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61907914 XHTJIHRFGFVXNO-HSZRJFAPSA-N 422.868 4.141 0 3 HIAF COc1ccc(-n2c3cssc-3c(NC(=O)c3cccs3)c2=O)c(OC)c1 3817908 DAWJIFKKDHWLFI-UHFFFAOYSA-N 418.521 4.396 0 1 HIAF COC(=O)C[C@@H]1c2ccccc2C=C(/C=C/c2ccc3c(c2)OCO3)N1C(=O)OC 13817895 BADWNVHEGXMHGT-QRBZPYHOSA-N 407.422 4.156 0 1 HIAF CCOC(=O)[C@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 26983164 BBQBTBVMEIXHOV-MLNNCEHLSA-N 415.480 4.485 0 1 HIAF CCN(CC)CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 27643123 IVZSERUTTOATIO-UHFFFAOYSA-N 418.029 4.040 0 1 HIAF Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)cc1C 28523949 BSJFUDDWWBQBJR-NHCUHLMSSA-N 419.477 4.023 0 1 HIAF CO/C=C(/C(=O)OC)c1cccc(Cn2cc(-c3ccccc3C(F)(F)F)nn2)c1 28822387 ZKVWOLVTTYKAND-GHRIWEEISA-N 417.387 4.173 0 1 HIAF Nc1ccc(NS(=O)(=O)c2ccc(O)cc2O)cc1-c1c(O)ccc2ccccc12 40405318 YEBYOHQSJWDUOI-UHFFFAOYSA-N 422.462 4.007 0 1 HIAF CC1(C)CCC[C@]2(C)[C@@H]3CCc4c[n+](CCS(=O)(=O)O)ccc4[C@]3(C)CC[C@H]12 40953089 FVJKDVMYGYXUKD-SCPDWHHUSA-O 406.612 4.308 0 1 HIAF CN(CC(=O)NCC1CCCCC1)C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085678 COORUQFSPPTTHW-UHFFFAOYSA-N 405.498 4.263 0 1 HIAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188301 YNSHLOIRJPVLGP-KRWDZBQOSA-N 420.561 4.226 0 1 HIAF Cc1cccc2cc([C@H](C)Nc3nc(F)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12 88345793 BHHHXEBUWSCUKJ-AWEZNQCLSA-N 414.444 4.278 0 1 HIAF NC(=O)c1ccn(-c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)c1 95554041 ACYWZPXRNUHROM-UHFFFAOYSA-N 405.498 4.468 0 1 HIAF O=C(NCc1ccccc1)[C@@H](CCO)NCCCC(c1ccccc1)c1ccccc1 96915175 YSYQQVYTALDEBG-AREMUKBSSA-N 416.565 4.256 0 1 HIAF COc1ccc(C2(O)C[C@@H]3CC[C@@H](C2)N3c2cc(C)nc(-c3ccccc3)n2)cc1 100510337 KWDYFRJIOOERNJ-SFTDATJTSA-N 401.510 4.480 0 1 HIAF Cc1ccc(Cn2c(-c3ccc(C)cc3)nn(C(=O)NC3CCCCC3)c2=O)cc1 103262302 CHYSWBCIWZVCOY-UHFFFAOYSA-N 404.514 4.267 0 1 HIAF CN1C(=O)[C@]2(N=C1N)c1cc(CCC3CC3)ccc1CC21CCc2ccccc2CC1 142009592 NQMFZVVRZKPLHM-HHHXNRCGSA-N 413.565 4.133 0 1 HIAF COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(SC)cc1 169696774 HSVWUSCRFDJAKR-FQEVSTJZSA-N 423.538 4.160 0 1 HIAF Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)C[C@H]3C)[n+](C)[nH]1 221217649 HJWATNXDWOLWTD-GFCCVEGCSA-O 420.928 4.062 0 1 HIAF COc1cc(/C=C/C(=O)N2C(=O)C=CC[C@H]2/C=C/c2ccccc2)cc(OC)c1OC 299820496 COKUNOIWJOBRKD-FBIYTTOGSA-N 419.477 4.123 0 1 HIAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@@H]3[C@@H](O)[C@@]21C 504714282 LFQOBUGWTJTTGE-JIZOJPPGSA-N 423.597 4.226 0 1 HIAF biogenic Nc1ccc([C@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 586987880 UIKPIGXPLMMGOT-GOSISDBHSA-N 406.441 4.381 0 1 HIAF CCOC(=O)Cc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587115943 GIBSBTKDBFRYDC-UHFFFAOYSA-N 400.360 4.298 0 1 HIAF C[C@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)N(C)C 587192279 SYRUALCLFMPANN-LLVKDONJSA-N 408.399 4.466 0 1 HIAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)cc(Cl)c2[nH]1 587225426 QRWLVLQNQRMFRH-SNVBAGLBSA-N 408.683 4.063 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239430 KRIRQMMAWSSHKE-HKMRUAMVSA-N 406.914 4.166 0 1 HIAF COC(=O)c1cc(C=O)n2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc12 587519281 XQRYLDRRTGLGAS-QFIPXVFZSA-N 403.434 4.124 0 1 HIAF CCO[C@H](C)c1ccc([C@@]2(CN)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587579791 QCDQMPHSUNVTPP-XJDRPFMISA-N 419.477 4.306 0 1 HIAF CCOC(=O)c1c(-c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648824 MDNRMJCTYORKLX-UHFFFAOYSA-N 422.300 4.178 0 1 HIAF CCc1ccccc1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659710 BEVLQVWMEHFWDD-UHFFFAOYSA-N 402.425 4.484 0 1 HIAF CCn1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587711956 YVQSXISYZAKKMA-BJOHPYRUSA-N 406.221 4.145 0 1 HIAF COC[C@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587725934 SYYUSUGJGDIFLF-XTZNXHDOSA-N 400.238 4.291 0 1 HIAF Cc1ccc2oc(N)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587743757 FJSNCUNFOLRURM-YPMLDQLKSA-N 417.278 4.209 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2ccccn2)N1 587753406 ILWOXNWZTPSHIE-RNODOKPDSA-N 400.295 4.457 0 1 HIAF COC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587808809 PHHOVHZMNZNEBI-MEELVIRWSA-N 418.306 4.416 0 1 HIAF COC(=O)c1ccc(OC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587811346 ZDZCJFJLBMIBGY-YPMLDQLKSA-N 408.267 4.007 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(C(=O)O)ccc32)N1 587827760 QSJNUEHGAPPWBS-GIPWTMENSA-N 404.279 4.401 0 1 HIAF COc1cccc([C@]2(CCc3ccc(F)cc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962902057 VGJBTSWYIXHSFV-ZCYQVOJMSA-N 423.459 4.449 0 1 HIAF CC(=O)CSCCSC[C@@]1(C)c2ccsc2CCN1Cc1cccnc1 963000781 XBMDQCLFWUVHMY-FQEVSTJZSA-N 406.642 4.472 0 1 HIAF CCOC(=O)c1ccc([C@@]2(C3CCCC3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963037463 VONUWQDXDZDTCW-WXTAPIANSA-N 418.537 4.350 0 1 HIAF CCOC(=O)[C@]1(CC(=O)c2ccccc2C)NCCc2c(Cl)cc(Cl)cc21 963107954 KQRZHZZOYFILBG-OAQYLSRUSA-N 406.309 4.479 0 1 HIAF Cc1cccc([C@]2(c3cccc(C)n3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963232539 OJSOBAXDFJKHJI-BVAGGSTKSA-N 409.489 4.137 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@@H]2[C@@H]1CCCN1C(=O)OCc1ccccc1 963257594 LEFBRBLTCQQVBO-GHTZIAJQSA-N 400.906 4.337 0 1 HIAF Cn1c(Cl)c2c(c1C(=O)NCc1ccccc1Cn1cccn1)CCC(C)(C)C2 1857646664 ODYMRNHTFIFRDV-UHFFFAOYSA-N 410.949 4.368 0 1 HIAF CC(=CCCC(=CC[C@@H]1OC(=O)C=C1CO)CO)CC[C@H]1C(C)(C)CCC[C@@]1(C)O 2356388361 BYAXMGMKQCMKDN-WRALFONMSA-N 420.590 4.223 0 1 HIAF COc1cc2ccc3c(c2cc1OC)N(C)[C@H](CCO)c1c-3ccc(OC)c1OC 2356510318 VCIQDGITMVHJRZ-GOSISDBHSA-N 409.482 4.415 0 1 HIAF CC(C)=CCc1ccc2c(c1O)C(=O)c1c(O)cc(C)c3c1[C@@H](O2)[C@@H](C(C)(C)O)CO3 3652687 MYJGUMZTENHAAQ-OWJWWREXSA-N 424.493 4.359 0 3 HIAF biogenic,in-vitro CC(=O)Nc1ccc(NC(=O)[C@@H]2Cc3c(-c4ccc(Cl)cc4)ccnc3O2)cc1 61903822 LWOXOZBYPIWJPV-FQEVSTJZSA-N 407.857 4.303 0 3 HIAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NCCCN1CCCC1=O 2483509 MEXAWXSSORAAEW-UHFFFAOYSA-N 421.900 4.174 0 1 HIAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(O)c1 26962235 NOUYCYGNOBPMES-YOGQACPKSA-N 408.542 4.244 0 1 HIAF COc1ccc2c(c1)c(CCC(=O)O)c(C)n2C(=O)c1ccc(Br)cc1 28126570 OAXIRTLLTDHYOJ-UHFFFAOYSA-N 416.271 4.427 0 1 HIAF NCCC(=O)Nc1nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 28462063 OBBXEJHRSUERAV-UHFFFAOYSA-N 409.298 4.143 0 1 HIAF CN1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C)C2=O)CC1 28569818 BUBAWRGTUJWAJK-NHCUHLMSSA-N 423.944 4.154 0 1 HIAF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1OC(C)(C)[C@@H](O)C2 40861666 WJBWITXUNBMVLF-UNMCSNQZSA-N 424.493 4.387 0 1 HIAF biogenic Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)NCCC(=O)N3)sc2ccc(F)cc12 45245154 SBKBOJWLKBSMKT-ZZXKWVIFSA-N 424.501 4.170 0 1 HIAF CCN1CCN(c2cn(S(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc23)CC1 66259601 QDYGSCKGDACLLR-UHFFFAOYSA-N 411.571 4.144 0 1 HIAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4F)CCCCN3[C@H]2CO)cc1 95873541 RDEQLRCOXKGDQP-IHDAUZFMSA-N 423.532 4.315 0 1 HIAF CC[S@@](=O)C(=O)N(CCCC[S@](C)=O)Cc1ccc(-c2ccccc2)cc1 96930141 PVJJMDLDEBSCNI-SXOMAYOGSA-N 405.585 4.203 0 1 HIAF CC(C)COc1cccc(CC(=O)N2CCNc3nc(C(F)(F)F)ccc3C2)c1 103265976 ORORYCAKVYGIBU-UHFFFAOYSA-N 407.436 4.132 0 1 HIAF Cc1c(-c2csc(NC(=S)Nc3ccccc3)n2)c(=O)n(-c2ccccc2)n1C 103281704 GQCYBVGWMPJJHX-UHFFFAOYSA-N 421.551 4.417 0 1 HIAF O=C(c1ccccc1-c1cccnc1)N1CC[C@@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 116827094 HNGPNDUPZZQYMH-NTKDMRAZSA-N 421.504 4.043 0 1 HIAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](/C=C\c3ccc(F)cn3)CC[C@H]2C)c1 169307303 DCHBSRUTSLBOQU-BHEAHUASSA-N 405.477 4.064 0 1 HIAF Cc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)c(C)o2)cc1 195429776 HCPMBDJDMRNPHJ-IJQPPBINSA-N 402.560 4.148 0 1 HIAF CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1ccccc1OC)C[C@H](C)CC3 206149660 DCIFFTAOKNOUHO-XCLFUZPHSA-N 407.514 4.192 0 1 HIAF CN(C(=O)[C@@H]1CC[C@@H](c2ccccn2)NC1=O)c1ccc(Oc2ccccc2)cc1 207628987 WUOSFHWUMGUCJJ-IRLDBZIGSA-N 401.466 4.104 0 1 HIAF NC1=N[C@@](c2cc(NC[C@H]3C[C@H]3c3ccccc3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 220654970 LXUQPRSGZIRWPM-KTPWHWSHSA-N 401.432 4.235 0 1 HIAF CC(C)COC(=O)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1 223645167 COHYMGKEFDGAST-UHFFFAOYSA-N 411.502 4.203 0 1 HIAF C[C@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 261142612 NICLXZKJEORIJZ-CKFHNAJUSA-N 415.440 4.365 0 1 HIAF COc1ncc(C(=O)N[C@H](CC(=O)O)c2ccc(-c3ccccc3)cc2)cc1Cl 261149933 OQBOXUNTOZRLJL-LJQANCHMSA-N 410.857 4.356 0 1 HIAF NCC(=O)O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 299808758 QRCGKZHMDVRFJM-XPFUAVQFSA-N 404.554 4.073 0 1 HIAF Brc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)cc2c1OCCO2 587000688 JRGQEZMYAVUZFP-UPHRSURJSA-N 415.243 4.038 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587230855 IXTHMGWHDHRZKC-VXGBXAGGSA-N 403.832 4.272 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)c(F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587240458 UAYAQMFOXCKYRO-LBBIBPJZSA-N 407.461 4.396 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)CCC(=O)O)(c1ccc(Cl)cc1)O2 587379729 WIRMWNSSIQJTEA-QFIPXVFZSA-N 415.873 4.305 0 1 HIAF C[C@]1(c2ccc(Br)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544386 KMWHIHBRFSPJGQ-FXAWDEMLSA-N 412.239 4.427 0 1 HIAF COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593035 ZYZCAZORPFBGQR-WMZHIEFXSA-N 402.406 4.427 0 1 HIAF CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598336 TXFGIDAXDQRUOA-MZLICYQSSA-N 410.466 4.482 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C2)N1 587741035 FVUSHECBTDGQEM-CENXUZMRSA-N 413.331 4.395 0 1 HIAF CCc1ccc2c(c1)[C@]1(CC(=O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 587839388 SBCVLBXGSNRESJ-GIPWTMENSA-N 404.279 4.238 0 1 HIAF CCOC(=O)c1cc(OCC)n([C@H](COc2cc(F)cc(F)c2)N=O)c1OCC 587944849 JDBBXJHGYIHRCJ-MRXNPFEDSA-N 412.389 4.084 0 1 HIAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc(OC)c1OC(F)F 962636169 YJAWXKYOOUMZOO-BUXKBTBVSA-N 423.456 4.288 0 1 HIAF COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(F)cc1Cl 962967562 NSEJOSWOBKHUQO-WBMJQRKESA-N 406.187 4.108 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@@](CCCCC(=O)O)(c3ccc(Cl)cc3)c3cccc1c32 963030550 QZHKTWRQVYSSFY-CMJOXMDJSA-N 412.917 4.282 0 1 HIAF COc1cc(Cl)cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1O[C@@H](C)C(=O)O 963108652 PILSMQVQSRVAIW-APXLUKDGSA-N 419.880 4.450 0 1 HIAF Cc1cccc2c1C1(CCC(C)(CN)CC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963903903 KKCBTAKCPSZGHT-WZFBRQLOSA-N 416.562 4.366 0 1 HIAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C3C(C)(C)C3(C)C)c2)CC1 1772637623 OZPHSJTZAPUYAN-UHFFFAOYSA-N 413.606 4.434 0 1 HIAF Cc1cccc(-c2cn(CCn3c(=N)sc4cc(OC(F)(F)F)ccc43)nn2)c1 1857634180 DLDGDOITDHSTDR-UHFFFAOYSA-N 419.432 4.348 0 1 HIAF COc1ccc2nc(C[C@H]3CN(C4CCC(F)(F)CC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305809 JAZITHGQXNYWGK-CABCVRRESA-N 421.488 4.105 0 1 HIAF CC(=O)O[C@]1(C)[C@H]2c3cc4oc(-c5ccccc5)cc(=O)c4cc3O[C@@H]2OC1(C)C 2356713550 MEZWCMSJPRUAKQ-WMTXJRDZSA-N 406.434 4.393 0 1 HIAF COc1cccc(CN2CC[C@@]2(C)C(=O)NCc2cccc(C(F)(F)F)c2)c1OC 61906577 KUNIWBZCXZPXJD-NRFANRHFSA-N 422.447 4.003 0 3 HIAF O=C(c1cnccn1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1 3955931 MZPAIAIQWSLVAU-SANMLTNESA-N 412.537 4.194 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](C)CN(C)C 4212182 ZDDUUZIKQUZSEB-BULFRSBZSA-N 403.567 4.166 0 1 HIAF Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NCc2ccccc2)C1 8623944 RRUFZIYPZGYVDC-DHIUTWEWSA-N 400.526 4.460 0 1 HIAF biogenic O=C(CCc1c[nH]c2ccccc12)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 13601755 ZPBORDAMPZTCSL-VWLOTQADSA-N 422.488 4.033 0 1 HIAF CSCC[C@@H](NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1)C(=O)O 15967504 AARDGDZREYXMCQ-GOSISDBHSA-N 419.506 4.319 0 1 HIAF biogenic COCCOCCOCCOc1cccc(CSc2nc3ccccc3[nH]2)c1C 27435953 GHFYQNBITCNCJM-UHFFFAOYSA-N 416.543 4.222 0 1 HIAF CC(C)CC(=O)O[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 27981355 ACBUMLHZTSHRKJ-NAWUPNOKSA-N 404.547 4.196 0 1 HIAF Clc1cc2nc(Cc3ccccc3)c(NCCN3CCOCC3)nc2cc1Cl 28572252 URLRPVSNQLJETR-UHFFFAOYSA-N 417.340 4.272 0 1 HIAF O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC[C@@H](/C=C/c2ccccc2)C1 29322847 CVVKNPNYPRRQBA-JLVIMGNISA-N 424.566 4.037 0 1 HIAF C[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/C=C/C=C/[C@H](O)C/C=C/C=C\C(=O)O1 38497411 KMKZBIGDFUKDCN-VORXMFCXSA-N 402.531 4.124 0 1 HIAF COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(C)cc4)oc3C)cc2oc1=O 40846861 XUOPAPBJOVSLAY-UHFFFAOYSA-N 419.433 4.473 0 1 HIAF O=c1oc2ccc(Cl)cc2c(O)c1Cc1c(O)c2cc(Cl)ccc2oc1=O 45284980 PLTAUBVYMSAINB-UHFFFAOYSA-N 405.189 4.208 0 1 HIAF Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)N(C)O)c(C)c2)no1 45364584 VFLDGGJDJRVSKG-SNVBAGLBSA-N 419.844 4.300 0 1 HIAF O=Cc1ccc([C@@H](C2CCCCC2)[C@H]2C[C@@H]([C@@H]3CC[C@@H]4CCC[C@@H]4N3)[C@@]3(O)CN23)cc1 85547793 YMSJVQLHYWQYGP-FQAKGODTSA-N 422.613 4.476 0 1 HIAF biogenic,in-vitro CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 96270347 AKUMEQZHMQCUCT-QFIPXVFZSA-N 424.497 4.245 0 1 HIAF C=CC(=O)Nc1ccc(OC)c(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c1 96937399 ZHNZZAFDNOFVRY-UHFFFAOYSA-N 420.860 4.321 0 1 HIAF COc1ccc(Cc2cc3c(=O)n([C@H]4CCCC[C@@H]4O)cnc3c3ccccc23)cn1 118809785 WHYIGHMTAVOOII-VXKWHMMOSA-N 415.493 4.020 0 1 HIAF N#Cc1cccc2c(C[C@H](O)CO)cn(-c3ccc(Oc4ccc(F)cc4)cc3)c12 146629391 DFGDVHLMTSOZJB-FQEVSTJZSA-N 402.425 4.329 0 1 HIAF CN1CCN(C[C@H](O)c2cc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc23)CC1 169334674 MHOWPKITXJMAAI-QFIPXVFZSA-N 416.352 4.489 0 1 HIAF O[C@H]1C[C@@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@@H]1n1cc(C2CC2)nn1 169358315 YZURTNKNJIUDGQ-ACRUOGEOSA-N 414.962 4.420 0 1 HIAF CC(C)=CC(=O)O[C@@H]1/C=C\[C@@](C)(C/C=C/C(C)(C)O)C/C=C(\CO)CC[C@@H]2O[C@]21C 169370763 ISSYTMWXBGIZDF-CQBSUZPWSA-N 418.574 4.404 0 1 HIAF C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 169709722 UAZQMKCXLHBUTL-WMLDXEAASA-N 422.451 4.090 0 1 HIAF Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)CC=CC4)cc2)cc1C 169718859 BDQJPAAVCVKYLM-UHFFFAOYSA-N 417.461 4.200 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncnc2-c2nccs2)C1 219452202 TZGRPXFKIUCAKR-UHFFFAOYSA-N 424.835 4.471 0 1 HIAF COc1cc(/C=C\c2cccc(O)c2)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](O)C2 238777569 QJARFBWPVJNMLR-KFYBTXHQSA-N 420.461 4.323 0 1 HIAF Cc1nc(N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)nc(C(=O)O)c1C 473086981 DQJDUSZXQDVXID-QKDCVEJESA-N 405.420 4.440 0 1 HIAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccc(Cl)cc12 473152674 VCWPRICNBCKDNH-REHUZNOOSA-N 419.864 4.375 0 1 HIAF Cc1nc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2cc1Br 587120655 RSLIQBOMHYFHFQ-UHFFFAOYSA-N 414.107 4.457 0 1 HIAF Fc1cc(Br)cc2nc(-c3cncc(I)c3)[nH]c12 587184056 CATHQYQEUYAJRK-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587229793 CCPFHBKAVNRPSK-VQTJNVASSA-N 407.514 4.178 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1)O2 587407728 IXJDRRRWGXEQLS-OWJWWREXSA-N 407.466 4.492 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(Cn3cccn3)c1)CC2=O 587474526 FVFUBKAPVJWCIX-DEOSSOPVSA-N 406.482 4.479 0 1 HIAF COc1ccc(CN2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)CC2=O)cc1 587515586 VJKABRROBHJRFO-RUZDIDTESA-N 405.494 4.101 0 1 HIAF CCC[C@@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570968 JZPMFWREIPLUSV-MBSDFSHPSA-N 413.470 4.417 0 1 HIAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(C)=O 587592174 IQRWHCYVDHKUDY-URXFXBBRSA-N 420.417 4.203 0 1 HIAF CCOC(=O)C[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598824 VLESBJRAIPWPBC-DHLKQENFSA-N 418.445 4.289 0 1 HIAF CCOC(=O)Cc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599652 YKNKCEFREZDADL-RCZVLFRGSA-N 418.445 4.375 0 1 HIAF C[C@]1(c2ccc(N3CCOCC3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614143 RHTLTXIWZOKPLF-NFBKMPQASA-N 423.490 4.167 0 1 HIAF CC(=O)Oc1c(-c2ccc(Cl)cn2)[nH]c2c1c(Br)cc1n[nH]cc12 587621935 PVPYCMSGFKFTFJ-UHFFFAOYSA-N 405.639 4.447 0 1 HIAF O=c1c2cc(Cl)ccc2cnn1-c1nnc(-c2ccccc2)n1Cc1ccccc1 587653631 ZRGILLNTHXLXIE-UHFFFAOYSA-N 413.868 4.346 0 1 HIAF CCOC(=O)[C@H](C(F)(F)F)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587710280 RJMJVFWRNOUDDI-MIUALZABSA-N 412.221 4.079 0 1 HIAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)nn1C 587720331 MRWNLDXTUIOJBH-NXSYQRQQSA-N 406.221 4.273 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)O)c3ccccc23)N1 587757140 NGZDZZZGUXEWBQ-BIBXISHDSA-N 417.278 4.251 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587827816 LFHNFFHBFONSLT-APBUJDDRSA-N 410.283 4.305 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cnn(Cc2ccccc2)c(=O)c1Cl 587870635 FSNCNKJAKSJYQN-UHFFFAOYSA-N 424.863 4.336 0 1 HIAF c1ccc(-c2nc3c(c(OCCCN4CCN(c5ccccc5)CC4)n2)CCC3)cc1 653735460 LBLRAQDKNBHZIA-UHFFFAOYSA-N 414.553 4.223 0 1 HIAF COc1cccc(CN(C)Cc2ccc(CN(C)Cc3cccc(OC)c3)nc2)c1 653838562 ZQAKCZSKKZUMQH-UHFFFAOYSA-N 405.542 4.363 0 1 HIAF COc1cccc(OC)c1[C@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186553 KYOZPCRYZYBOBV-GTNSWQLSSA-N 415.795 4.064 0 1 HIAF COC(=O)c1ccc(CN2CCC(NC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 1772640882 FUZAVUNXERGYBW-UHFFFAOYSA-N 421.324 4.174 0 1 HIAF CN(C)C(=O)c1cccc([C@](O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1 1857593184 DXQLKALJASYDOE-XMMPIXPASA-N 419.912 4.213 0 1 HIAF CC(C)N1C(=O)N/C(=C\c2ccc(Sc3nc4ccc(Cl)cc4[nH]3)o2)C1=O 1857620170 BLMHKDSKHVIXMP-ZSOIEALJSA-N 402.863 4.262 0 1 HIAF COc1ccc2nc(NC(=O)c3ccc(C(=O)NCc4ccccc4)cc3)sc2c1 1911577948 NSBSEDBIIAWIEU-UHFFFAOYSA-N 417.490 4.487 0 1 HIAF CCc1nc(-c2nc(C=C[C@H](OC)[C@@H](C)C(=CC(=O)OC)OC)cs2)cs1 2356505121 SJCBHNAYTHVEQH-DOMZBBRYSA-N 408.545 4.197 0 1 HIAF CC(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)cn2c(-c3ccc(F)cc3)cnc12 61929980 YPFNZWMJZRERKF-UHFFFAOYSA-N 423.469 4.169 0 3 HIAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl)N1CCOCC1 768777 LSKXHDZPNRLKQQ-PKOBYXMFSA-N 423.271 4.083 0 1 HIAF COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(C)cc3)cc2c1 1366775 GGGNNOTTYDHMPA-UHFFFAOYSA-N 402.450 4.281 0 1 HIAF Cc1oc(-c2ccccc2)nc1CC[C@@H](O)c1ccc(C[C@@H]2SC(=O)NC2=O)cc1 1483019 HEFGGAWLJMWCQK-UXHICEINSA-N 422.506 4.210 0 1 HIAF CC(/C=N/OCCN)=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 3948849 XSFLNQNQRJJZBO-AFFLTQSNSA-N 418.622 4.029 0 1 HIAF CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Br)CC2)cc1 13553804 FNALNVCQQLOHRQ-UHFFFAOYSA-N 403.324 4.322 0 1 HIAF O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 13802792 FCMIQVLLQNCEMG-UHFFFAOYSA-N 416.009 4.185 0 1 HIAF CCOC(=O)c1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnn2c1 14954039 KBVZETYUCGGMRC-UHFFFAOYSA-N 412.453 4.048 0 1 HIAF CC1(C)Oc2cc3c(cc2[C@H](NC(=O)c2ccc(F)c(Cl)c2)[C@H]1O)C(=O)CCC3 29339913 JIAOCCBVFBFWKC-VQTJNVASSA-N 417.864 4.001 0 1 HIAF Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 43203221 YYDJCLCSBYCSCO-UHFFFAOYSA-N 404.518 4.463 0 1 HIAF CCc1ccc(C2=NN(c3nnc(S)n3-c3ccc(Cl)cc3)C(=O)CC2)cc1 66066075 KLYBXNABGUGLJU-UHFFFAOYSA-N 411.918 4.303 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccccc1 82133373 ONCMVHUDPMAGJJ-MRXNPFEDSA-N 420.513 4.301 0 1 HIAF CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NCc3cccc(F)c3)ncnc21 82181505 ZIXZHUUYBVKHCW-LJQANCHMSA-N 420.492 4.322 0 1 HIAF CCCN(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C 95678888 ZBAWZCZLBCSXDL-OHUGHZGNSA-N 424.585 4.053 0 1 HIAF CC(C)[C@]1(CCCO)CCN([C@@H](C)c2ccc(-c3ccn(C)c(=O)c3)cc2)C(=O)O1 96178574 BLIKXDAKWNGQNT-UUOWRZLLSA-N 412.530 4.123 0 1 HIAF C1=N\CCOCC/N=C/c2ccccc2OCc2cccc(n2)COc2ccccc2/1 102963185 DSHVOUCGIOLILK-WVZLMVLXSA-N 415.493 4.108 0 1 HIAF CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 104003960 GAUKEOYWTNWENU-NRFANRHFSA-N 403.438 4.257 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C(C)=O)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 169370541 DIISWROLLPLGMW-RKRMHJIESA-N 416.606 4.251 0 1 HIAF CCCCCCSC(=S)N1CCN(C(=S)NCCc2ccccc2)CC1 299862316 JLSSNCLHOSKTKZ-UHFFFAOYSA-N 409.690 4.320 0 1 HIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 586917231 RQRHHMIGQMDDMJ-BLVKFPJESA-N 401.260 4.247 0 1 HIAF CSc1sc(-c2nc3cc(F)cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920863 ZTRFQCNKGBDYBM-UHFFFAOYSA-N 405.929 4.383 0 1 HIAF CCOc1n[nH]c(-c2nc3ccc(Br)c(C)c3[nH]2)c1Br 586978876 ARPXNCOHWDYWSF-UHFFFAOYSA-N 400.074 4.185 0 1 HIAF Oc1nc2cc3[nH]c(-c4cc(-c5ccccc5)nc5c(Cl)cnn45)nc3cc2[nH]1 587081337 OMFDKJMEFRVEQC-UHFFFAOYSA-N 401.817 4.175 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H](CC)Oc3ccccc3F)[nH]c2c1 587154542 DHWMECOTLQKHQT-GOSISDBHSA-N 405.495 4.311 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 587231375 NTSHRGGBBRCCLI-RYUDHWBXSA-N 414.731 4.015 0 1 HIAF COC(=O)[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355228 WWYMBZWCIUIYPL-WIOPSUGQSA-N 420.436 4.435 0 1 HIAF C=CC(=O)Oc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444966 XVCVELHMFIAYQZ-QFQXNSOFSA-N 412.441 4.478 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)C(=O)O)c(OCC)c1)CC2=O 587481923 IZEJAVDQMAESFR-XCLFUZPHSA-N 414.454 4.302 0 1 HIAF NS(=O)(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587530579 FYPUUWZCKZSPMW-JOCHJYFZSA-N 423.490 4.179 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)c(F)c1 587554623 LPMFLYIQKWAYHN-NZQKXSOJSA-N 402.381 4.420 0 1 HIAF O=Cc1c(F)c(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1F 587555395 KUECIGHLPNOVOH-QKKBWIMNSA-N 418.298 4.464 0 1 HIAF COC(=O)C[C@@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567152 FJFVMQPPWGFFFV-ZJSXRUAMSA-N 422.408 4.038 0 1 HIAF Cc1ccc(CNC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577233 JWNMNYKYDIUNCC-WIOPSUGQSA-N 417.461 4.127 0 1 HIAF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccncc21 587589554 XZHPWUKMYKMVGY-NVQXNPDNSA-N 421.408 4.237 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2N1CCSCC1 587617803 KZNWNLPAJRJDPC-SXWKCWPCSA-N 411.523 4.084 0 1 HIAF CCCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)N[C@H]1CCOC1=O 587625521 JKUDTLOUNMVMSX-NSHDSACASA-N 422.325 4.203 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(Cl)cc3)n2)N1 587694336 GNSYEDCBBBTFGX-YPMLDQLKSA-N 421.701 4.446 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587728021 QLJBFKYALASZKN-MPBGBICISA-N 424.285 4.458 0 1 HIAF COc1ccccc1[C@]1(CNC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587754404 JPNHIRDGIGIGJU-QKKBWIMNSA-N 421.354 4.373 0 1 HIAF CC(=O)N(C)c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587757960 VVDZIMSPORKWSW-FKIZINRSSA-N 405.311 4.369 0 1 HIAF CCOC(=O)COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587798802 ZKWPMPVYQCNNAX-FKIZINRSSA-N 422.294 4.154 0 1 HIAF COC(=O)c1ccc2c(c1)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587805184 HDBXYUWCFBBSOU-PRWKNARSSA-N 404.279 4.099 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2c[nH]c3ccccc23)(C(=O)O)N1 587808523 ZMGCIYDUGJDPHC-PRWKNARSSA-N 417.278 4.126 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C(C2CCOCC2)(C2CCOCC2)N1 587836404 UIWQAQQKFWBRRW-ZDUSSCGKSA-N 412.343 4.171 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3nc[nH]n3)o2)N1 587843296 IFXSMVUUNCPHJK-ANRSDYALSA-N 409.284 4.074 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1ccc(F)cc1F 587868387 MNLCLRRRRZNFCL-UHFFFAOYSA-N 412.318 4.003 0 1 HIAF Cn1cccc1CN1CCc2sccc2[C@@]1(Cn1ccnc1)c1ccc(F)cc1 962378512 YOHAPPSVBAOGHJ-HSZRJFAPSA-N 406.530 4.424 0 1 HIAF COc1cc(Br)ccc1[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962731265 RCHAYVCDELBAPH-GDBMZVCRSA-N 414.221 4.193 0 1 HIAF C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2CC[C@H](c3ccc(O)cc3)C(F)(F)C2)C1=O 1772603824 VORAXNUWZGHPKU-IWMITWMQSA-N 418.459 4.318 0 1 HIAF Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccccc3)C2)n1C 1772625857 AAPXNHMQKBDDJN-AVRDEDQJSA-N 409.559 4.140 0 1 HIAF CC=C(C)C(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@H]1OC(C)(C)OC1(C)C 2356321835 YMVDDLDKESKNJK-WOJBJXKFSA-N 416.470 4.282 0 1 HIAF COc1cc(-c2c([C@@H]3O[C@H](OC)[C@@H](C)[C@@H]3C)cc3c(c2OC)OCO3)ccc1O 2356410702 BDGXQQPRVHLWJO-AOLUHCMWSA-N 402.443 4.121 0 1 HIAF CNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2cccc(F)c2)cc1 6877683 SXQUNPAYNLDZHQ-UHFFFAOYSA-N 406.486 4.271 0 1 HIAF CC(C)=CCc1cc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@H]2O)ccc1O 14727532 WFHBGCVPESHDKZ-RPWUZVMVSA-N 424.493 4.498 0 1 HIAF biogenic COc1ccc([C@H](CC(=O)Nc2nc(C)cs2)N2Cc3ccccc3C2=O)cc1 20560547 JGVMMNVVYUZZBL-IBGZPJMESA-N 407.495 4.186 0 1 HIAF C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccccc3O)CC[C@@H]12 26957416 BGGSGEZOWWTTGS-LPVOWSSQSA-N 408.542 4.244 0 1 HIAF Fc1ccc(CNc2ncccc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)cc1F 28530060 BTUVIPGLRCHNRD-UHFFFAOYSA-N 422.395 4.229 0 1 HIAF COC(=O)c1c(-c2ccccc2)c2cc(C(=O)O)ccc2c(=O)n1Cc1ccccc1 29063676 CXDJRCIIBIARLM-UHFFFAOYSA-N 413.429 4.202 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@H]3CCCCC3=O)CN(C)[C@@H]1C2 58559083 HFQSQNJGOYLPPV-LHWDRQQYSA-N 408.542 4.237 0 1 HIAF CN[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC[C@H](O)CNC(C)(C)C)ccc4[C@H]3CC[C@]12C 66065854 DLVAQEYQVGVGRK-HOGBPOSESA-N 414.634 4.259 0 1 HIAF COc1cc(C(=O)c2cc(CCc3ccsc3)sc2N)cc(OC)c1OC 71341672 PTONJFKZDOMYFD-UHFFFAOYSA-N 403.525 4.434 0 1 HIAF O=C(CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)NCCC1=CCCCC1 82084771 NFOZYJHACKYCCE-UHFFFAOYSA-N 403.935 4.200 0 1 HIAF NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1cc(-c2ccccc2)on1 84462452 JGCVAOFCDPADLG-DEOSSOPVSA-N 411.505 4.440 0 1 HIAF CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc2ccc(Oc3nc4cccnc4s3)cc2o1 95593723 QWVGJGRTJOMOTI-HOTGVXAUSA-N 420.494 4.035 0 1 HIAF Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3C)cc2)c1 100105989 GIYGJGBAFNSABF-FVRPBGSPSA-N 418.562 4.099 0 1 HIAF O=C(Nc1cc(Cl)ccc1O[C@H]1CC[C@H](O)CC1)c1csc2cncnc12 113652899 MUYFQIQEBJQOGI-BETUJISGSA-N 403.891 4.279 0 1 HIAF O=C(N[C@H](CCO)c1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166786624 UDZKPNFVCOMRNW-HSZRJFAPSA-N 415.493 4.088 0 1 HIAF COC(=O)[C@H](N)C[C@@]1(C)C[C@@H]2CC[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C 169362222 UASYBMLHVWZBST-JKNYOYKWSA-N 408.627 4.288 0 1 HIAF CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cnccc3-4)cc2)C1 169703887 CGZPNBUBJPIWBN-UHFFFAOYSA-N 424.504 4.328 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2Cl)c1 169707039 BHNKUPZJKYRGSV-KRWDZBQOSA-N 422.916 4.220 0 1 HIAF O=C(O)[C@@H]1C/C(=C2/CCN(c3ccccc3)C2=O)c2c(Cl)cc(Cl)cc2N1 204311485 FCMZVVRKJTVTQK-CLVCIHKQSA-N 403.265 4.453 0 1 HIAF CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)co1 205327854 ULRUWOCGZCJKGB-UHFFFAOYSA-N 419.510 4.441 0 1 HIAF O=C(OCCF)[C@@H]1[C@H](c2ccc(Br)cc2)C[C@H]2CC[C@H]1N2CCCF 253837872 XXLBWUCJODELRH-XMTFNYHQSA-N 416.306 4.258 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4c(F)cc(F)cc4F)ncc23)ccn1 261163486 RIGGVTINNQSHTR-UHFFFAOYSA-N 412.375 4.067 0 1 HIAF COc1ccc2ccc(=O)oc2c1C1=NN(C(C)=O)[C@H](c2ccc(SC)cc2)C1 299862204 JISKGFADZIQAJM-SFHVURJKSA-N 408.479 4.221 0 1 HIAF CCCCc1cc(=O)oc2cc(OCc3nc4cc5c(cc4[nH]3)NC(=O)CC5)ccc12 586918263 KWPDAHVMHFCSQR-UHFFFAOYSA-N 417.465 4.476 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccncn1)c1ccccc1 587584903 BOZORYBIQPEKKF-RDGATRHJSA-N 410.429 4.282 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616126 IEDLMTJODKYBMQ-WZONZLPQSA-N 406.390 4.185 0 1 HIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2sc(=O)oc12 587618593 OTZXZDIMNIBFQW-YLJYHZDGSA-N 422.414 4.272 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3O)c(C(=O)c3ccc(F)cc3)c2c1 587650415 UVXAOTZTNBWQJI-UHFFFAOYSA-N 409.438 4.314 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCCN(C)C)c2)N1 587738940 DOAOUGNUQWYUFK-LHSJRXKWSA-N 421.354 4.326 0 1 HIAF COC(=O)c1ccccc1-n1cccc1[C@@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962617824 CFJGJIVBKCLTCZ-WAIKUNEKSA-N 420.509 4.247 0 1 HIAF COc1ccccc1CC[C@]1(c2ccccc2OC)NCCc2nc3ccccn3c21 962991453 WFHQHTKVCXKVAR-AREMUKBSSA-N 413.521 4.374 0 1 HIAF CCOC(=O)C[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)NCCc2c1sc(C)c2C 963022820 KRFYQGICIUDJQG-VGSWGCGISA-N 422.591 4.059 0 1 HIAF C[C@@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)c2c(F)cccc2C[C@H]2CCCN21 963096470 NLRWAWZDUMMQRK-WAIKUNEKSA-N 407.445 4.083 0 1 HIAF COc1ccc2c(c1)CC[C@@H](Cc1cc[n+](Cc3ccccc3F)cc1C(C)=O)C2=O 1857538071 OTIRNKFTUNIWRV-FQEVSTJZSA-N 418.488 4.361 0 1 HIAF O=C(Nc1ccccc1N1CCOCC1)c1nc2cc(C(F)(F)F)ccc2s1 1857746528 ITEAFCZCUOGPHU-UHFFFAOYSA-N 407.417 4.404 0 1 HIAF Cc1ccccc1N=c1[nH]c(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl 1911576291 JQAXXTRYINBWBD-UHFFFAOYSA-N 408.937 4.099 0 1 HIAF COC(=O)C1=C[C@H](OC(C)=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC(C)=CC(=O)O 2356466542 JYKSXPOWBJQKQL-JNNPPIHVSA-N 406.519 4.291 0 1 HIAF COC(=O)C=C(OC)[C@H](C)[C@H](C=Cc1csc([C@H]2CSC(C(C)C)=N2)n1)OC 2356621666 MKHXEKLNLZKVLK-BMFZPTHFSA-N 424.588 4.353 0 1 HIAF C[C@@]1(C(=O)Nc2ccc(F)cc2F)CCN1C(=O)Cc1ccc(Cl)cc1Cl 61902715 FWSPMKKROSDSOM-IBGZPJMESA-N 413.251 4.444 0 3 HIAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)on1 61903596 CKHSOOAOWPMHIV-LJQANCHMSA-N 403.482 4.266 0 3 HIAF COc1ccc(-c2ccc3c(c2)N(CCc2ccccc2)C(=O)COC3)cc1OC 205222466 PYKHKPZNYKTZTJ-UHFFFAOYSA-N 403.478 4.477 0 3 HIAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 772532 DRBVVVBGRVCFOR-QNWVGRARSA-N 420.896 4.282 0 1 HIAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(O[C@@H]2CCCNC2)ccc1Cl 28825938 VXFCQJMLQVJIKZ-YLSHDAJPSA-N 402.966 4.417 0 1 HIAF CN1C[C@@H](C(=O)OCCO)C[C@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@@H]21 29483008 KIIBBCNQABCMRJ-HARLFGEKSA-N 410.558 4.032 0 1 HIAF O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1 63298295 SBFPHSVZEXSHTL-UHFFFAOYSA-N 412.428 4.261 0 1 HIAF C[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73223201 MGIAWEQCVGZBOI-XETPBLJFSA-N 418.534 4.385 0 1 HIAF Cc1nc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@@H]2c2cccs2)sc1C 110821824 YUZMXWGVWFTQKU-KGLIPLIRSA-N 402.522 4.039 0 1 HIAF Cc1ccc(CN(CC2CCC(C(=O)O)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 116674541 ACDYGEWRZMOQTR-UHFFFAOYSA-N 415.555 4.385 0 1 HIAF COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@H]3CCCCN13)OC(=O)CCc1ccc(O)c-2c1 142845413 DUKDUISHTJYQFV-WWMYMODYSA-N 423.509 4.321 0 1 HIAF COC(=O)c1c(NC(=O)c2sc3nc(C)cc(C)c3c2N)sc2c1CCC2 142926235 OCAHKYRJDGRLNI-UHFFFAOYSA-N 401.513 4.084 0 1 HIAF O=C(Nc1ccc2ncccc2c1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168344656 XBGSNGUXCMJMPS-UHFFFAOYSA-N 410.477 4.040 0 1 HIAF Cc1c(Cl)cc([C@H](C)Nc2ncnc3[nH]cnc23)c(-c2cccc(F)c2)c1C(N)=O 168492515 QYVRLNBNQYDBCQ-NSHDSACASA-N 424.867 4.393 0 1 HIAF CCOc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccccc2)c1 169689238 QCPLWGGHUXKTRA-VXKWHMMOSA-N 417.461 4.138 0 1 HIAF Cc1ncc(-c2cc(F)c(=O)n(C)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 222637307 MMKFSEFUOBDNEB-MSOLQXFVSA-N 416.456 4.021 0 1 HIAF COCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C1=O 254239058 WWPQRNIXPZCCMI-RWQYCXNXSA-N 408.542 4.443 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccccc2F)cc1 299863693 LKAKGBUKZCZEMT-OFNKIYASSA-N 421.497 4.001 0 1 HIAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)cc1 586943908 BWJAMDHGASVEKH-UHFFFAOYSA-N 423.469 4.050 0 1 HIAF Nc1ccc([C@@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 586987881 UIKPIGXPLMMGOT-SFHVURJKSA-N 406.441 4.381 0 1 HIAF C[C@H](O)c1ncc(-c2nc3c(Br)ccc(Br)c3[nH]2)s1 587022628 SLFAFKSUUZWENM-YFKPBYRVSA-N 403.099 4.265 0 1 HIAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1F 587144072 IASRWQQVDYPCEF-OAQYLSRUSA-N 404.401 4.332 0 1 HIAF C[C@]1(c2cc3c(cc2N)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331532 DLJWIQUALMUPQI-JTHBVZDNSA-N 407.397 4.117 0 1 HIAF C[C@]1(c2ccc(NC(=N)N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339366 TUMVIUYQWLNKOJ-NZQKXSOJSA-N 405.429 4.111 0 1 HIAF CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587339594 QUCNEUZOAUZYCE-XUZZJYLKSA-N 403.409 4.152 0 1 HIAF C[C@]1(c2ccc(-n3cncn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344127 VXZCSHGEEFDUMF-LADGPHEKSA-N 415.424 4.386 0 1 HIAF COc1ccc([C@@H](O)[C@@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403467 MKDPPKDSRHVDFN-RPBOFIJWSA-N 419.477 4.189 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](C1(c3cccc(Br)c3)COC1)CC2=O 587457873 OQXYBQDWUCPZCK-IBGZPJMESA-N 417.299 4.409 0 1 HIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCN1C(=O)OCc1ccccc1)CC2=O 587477304 QJPVHFBKQAZRLZ-KNQAVFIVSA-N 409.482 4.480 0 1 HIAF O=C1C[C@@](c2ccc(-c3ccccc3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 587531392 ZXLOBYIPZQSYPL-AREMUKBSSA-N 400.474 4.404 0 1 HIAF Nc1ccc([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577439 KIVIALXUOSLQNB-WIOPSUGQSA-N 410.429 4.275 0 1 HIAF CC(C)S(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608797 SSVIUXHVEOOYPS-REWPJTCUSA-N 424.474 4.277 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(N)c(F)c2F)N1 587720744 OADIJPWAZDBOCQ-SKLCBMLGSA-N 403.217 4.385 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(F)c(Cl)cc12 587737494 ZZZILEAOCPXHLF-IWEMQMMOSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCC(=O)N3C)N1 587776705 YGKORXXBVDZXED-BIBXISHDSA-N 403.295 4.121 0 1 HIAF COc1ccc([C@]2(/C=C/C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587812236 YUTWQAAFEKVVSI-IGHNWBDASA-N 420.278 4.015 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(N)=S)c2)N1 587846618 VCHSAIBZKZDLHE-MGNBDDOMSA-N 408.340 4.041 0 1 HIAF O=C(COc1ccccc1[C@@H]1c2ccsc2CCN1Cc1ccco1)N1CCCC1 962701666 CNRVMSKMBAVFPZ-XMMPIXPASA-N 422.550 4.490 0 1 HIAF C[C@@]1(c2cc(Cl)ccc2OC(F)F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963227095 FKOCDLAGUJDCHO-UTKZUKDTSA-N 418.827 4.352 0 1 HIAF CC(=O)c1ccc(NC2=C[C@]3(C[C@H](C)C2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c23)cc1 963487750 CQFRLLJOTYFHDE-XILATRJDSA-N 420.509 4.123 0 1 HIAF CCCCC[C@@H](C[C@H](CCc1ccc(OC)c(OC(C)=O)c1)OC(C)=O)OC(C)=O 2356663205 XZMCSNNVVYNRPZ-SFTDATJTSA-N 422.518 4.387 0 1 HIAF COc1ccc([C@@H]2C[C@@](O)(c3ccccc3)Oc3cc(OC)c(OC)c(OC)c32)cc1 13661786 IYDPIEGDRKLHSY-DFBJGRDBSA-N 422.477 4.481 0 3 HIAF COc1ccc(N[C@H]2CCCN(C(=O)COc3ccc(Cl)cc3C)C2)cc1OC 15068467 UJEUFJHJJLPGJG-SFHVURJKSA-N 418.921 4.148 0 3 HIAF Cc1ccc(SCCN2CC[C@@H](NC(=O)OCc3ccccc3)CCC2=O)cc1 15934991 PYSMSIXECWHEAN-FQEVSTJZSA-N 412.555 4.395 0 3 HIAF COc1cc(O)c([C@@H](CCN2CCC[C@H](C)C2)c2ccc3c(c2)OCO3)c(OC)c1 36378322 MGXRZPBUKHOSJG-LPHOPBHVSA-N 413.514 4.392 0 3 HIAF CCOc1ccc(Cl)cc1-c1cc(C(=O)Nc2ccc(OC)cc2OC)[nH]n1 61905831 NPKCIYZSCRKKBK-UHFFFAOYSA-N 401.850 4.398 0 3 HIAF COc1ccc([C@@H]2C=C(c3ccc(Br)s3)Nc3ncnn32)cc1OC 101730522 SVHMCFZIAFIYNP-LBPRGKRZSA-N 419.304 4.175 0 3 HIAF CCOC(=O)C1=C(C(=O)OCC)[C@]2(c3ccccc3)N(O1)c1ccccc1C2(C)C 5811708 FZNFTULABUEKRW-DEOSSOPVSA-N 407.466 4.005 0 1 HIAF COc1ccc(N2C(=O)[C@H](Cc3ccccc3)N=C2N(C)C2CCCCC2)cc1OC 9643544 HCXITWYWCHCSLX-NRFANRHFSA-N 421.541 4.282 0 1 HIAF COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2ccccc2Cl)C(=O)O)cc1 13445216 JELRYNIRVBFLOL-NRFANRHFSA-N 423.896 4.370 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@]2(C(=O)O)CCCCO2)nc1 34717781 NODVIYUFBGWXDK-XMMPIXPASA-N 422.481 4.233 0 1 HIAF C[C@H]1OC(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)=NNC1=O 40395206 NBFWTNMNGDCSHO-SNVBAGLBSA-N 409.667 4.286 0 1 HIAF O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2[nH]1 45348708 QNTBWJLZXRUYGW-UHFFFAOYSA-N 415.858 4.103 0 1 HIAF Fc1ccccc1CCNc1ncnc2c1nc(-c1ccoc1)n2C[C@H]1CCCO1 82180744 YXSONHSKAMALQM-QGZVFWFLSA-N 407.449 4.059 0 1 HIAF CCCCOc1cccc(CC(=O)N2CCNc3nc(C(F)(F)F)ccc3C2)c1 103265973 CUIIMTOHWFLGKE-UHFFFAOYSA-N 407.436 4.276 0 1 HIAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)[C@@H]1CC[C@@H](C2)N1 113218751 COJKEZKAKAGCDA-AVRDEDQJSA-N 411.505 4.257 0 1 HIAF O=C1CCc2ccc(NC(=O)N[C@@H]3CCOc4cc(C(F)(F)F)ccc43)cc2N1 144274418 GMDKARYJTFQCTO-OAHLLOKOSA-N 405.376 4.235 0 1 HIAF CCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697200 MLKJSRUZFXLXTL-PUZFROQSSA-N 400.563 4.460 0 1 HIAF CCCC[C@H]1CNC2=[N+]1C[C@H](Cc1ccc(OC)cc1)N2CC[C@@H]1C[C@@H]2CC[C@@H]1C2 169721140 KWTDWBFTETWUMK-VDLPQLTJSA-O 410.626 4.279 0 1 HIAF CN(c1ncc2ccccc2n1)[C@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1 203538946 MUNRPCOFBLTMAD-INIZCTEOSA-N 420.900 4.316 0 1 HIAF COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C#N)cn1 220940955 RLWUUPLQCJUVER-UHFFFAOYSA-N 415.384 4.089 0 1 HIAF COCc1ccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)cc1 221143033 SJKMEKMTEIDREQ-DLVCFXQMSA-N 404.482 4.146 0 1 HIAF CC(=O)N1CCC(Oc2cncc(N3C(=O)c4ccc(Cl)cc4C3(C)C)c2)CC1 224001622 BLOPNGLLFSIKMC-UHFFFAOYSA-N 413.905 4.020 0 1 HIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)Nc3ccc(O)cc3)CC[C@H]12 253749800 HMUJTAJHDZMXNI-SMIYNLNTSA-N 408.542 4.244 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H](O)C3CCOCC3)[nH]c12 586914184 VVSZSULEHAZWON-SFHVURJKSA-N 419.403 4.294 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2c1 587019893 ZKWKXOJXBWQKOV-UHFFFAOYSA-N 422.894 4.397 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(C(=O)O)c3[nH]1)N2 587030423 DUXMPJKBRVKCTQ-JLATVTFTSA-N 414.512 4.388 0 1 HIAF CCCc1nc(-c2nc3cnc(Br)cc3[nH]2)nn1-c1ccccc1F 587156331 LGFKJGGUEHDMAY-UHFFFAOYSA-N 401.243 4.060 0 1 HIAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OC)ncc3[nH]2)c1C 587165406 AMHZUMDGJHJEKS-UHFFFAOYSA-N 422.460 4.302 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587232591 ZYNWAXHSIGIALU-RYUDHWBXSA-N 414.731 4.015 0 1 HIAF O=C1CC2(CCN(c3nccc(C(F)(F)F)n3)CC2)Oc2c1ccc1c2CCCC1 587506734 LFIPIDCPVNFINJ-UHFFFAOYSA-N 417.431 4.379 0 1 HIAF CC(=O)Nc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509578 DIGKKEVAIPKHAX-XMMPIXPASA-N 407.466 4.249 0 1 HIAF O=C(O)CCC[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587534656 FKXIBETZBOSEJW-VWLOTQADSA-N 422.477 4.452 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586141 HLYCZOPWTQLKSL-BMBTUGTFSA-N 423.465 4.122 0 1 HIAF O=C(O)CCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595657 LQBVPYWQDGXURW-XUZZJYLKSA-N 420.417 4.339 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587720399 NJEWPSRNGOIAKK-GLEZIHRCSA-N 406.221 4.447 0 1 HIAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2oc(N)nc2c1 587744768 IKMBBQYXHCTYFC-OVWNDWIMSA-N 404.283 4.418 0 1 HIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2c1OC 587786721 PNFDJKPAZKNCDS-UHFFFAOYSA-N 404.422 4.406 0 1 HIAF O=C(O)c1cccc2c1CCN[C@]2(C[C@H]1CC[C@@H](C(=O)O)CC1)c1ccc(F)cc1 963136563 ZNCJAKGMRKTKBX-JRLRZGBRSA-N 411.473 4.194 0 1 HIAF COc1ccccc1N(C)c1ccc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963512219 VVPIISLMPUKENC-YADARESESA-N 418.493 4.165 0 1 HIAF Cc1ccc(N2CC[C@@H](N3CC[C@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F 1772625781 RUJFBNIDDSNLJQ-UYAOXDASSA-N 404.432 4.070 0 1 HIAF O=C(Nc1c(OCc2ccc(Cl)cc2)cccc1-c1nn[nH]n1)c1ccccc1 1772634256 DVAUBPLIVLUHRF-UHFFFAOYSA-N 405.845 4.351 0 1 HIAF COc1ccc(O)c(Cc2c(OC)cc3c(c2O)C(=O)C[C@H](c2ccccc2)O3)c1 2356416309 PLYWMZLCINZLTG-HXUWFJFHSA-N 406.434 4.412 0 1 HIAF CC(=CCCC(=CC[C@@H]1OC(=O)C=C1CO)CO)CCC=C(C)CCC[C@@H](C)CO 2356418196 CCONHYLQHTWPKT-QPPBQGQZSA-N 420.590 4.391 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13C[C@@H](CC[C@@H]21)[C@](C)(O)C3 2356473935 VNDROSDKNARHKI-FMWNHXNPSA-N 406.563 4.255 0 1 HIAF OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccncc2)CC1 198363332 PFVPVNLUMHVBMR-UHFFFAOYSA-N 402.538 4.499 0 3 HIAF Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)[C@@H](C)Oc1ccccc1)CC(=O)N2 2724128 MCQPCKMHMDYOQK-OSPHWJPCSA-N 418.468 4.472 0 1 HIAF O=C(OCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1C(=O)c1ccccc1 7097068 CYIDXEYRUJHRHM-AZUAARDMSA-N 405.494 4.113 0 1 HIAF biogenic Cc1c(Cl)nc(-c2ccc(S(C)(=O)=O)cc2)nc1NCc1ccc(F)cc1 29131882 UPACSHHPMXAHHL-UHFFFAOYSA-N 405.882 4.260 0 1 HIAF CN(C)CCCn1c(CN2CCC[C@H]3CCc4cccnc4[C@@H]32)nc2ccccc21 49066543 RIBOGSNJCBYELS-NBGIEHNGSA-N 403.574 4.283 0 1 HIAF C=Cc1csc2c(N[C@H](C)c3ccccc3)nc(NCCN3CCOCC3)nc12 68267246 FIADULCZQIMHJH-MRXNPFEDSA-N 409.559 4.252 0 1 HIAF C[C@@H](C(=O)NCc1ccc(C2CCCC2)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73240451 KUJXVPHLRPKHHL-OAHLLOKOSA-N 418.534 4.275 0 1 HIAF CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@@H]12)[C@](O)(COC(C)=O)C3 85957228 OQDCKOUFTOKDOD-RSDUFEJWSA-N 406.563 4.257 0 1 HIAF in-man Oc1c2cnnc-2nc(SCc2cccnc2)n1-c1cccc(C(F)(F)F)c1 103971249 MPMYJLCSEHPHKX-UHFFFAOYSA-N 403.389 4.179 0 1 HIAF Cc1nnc([C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C(C)C 141523459 MPJKALXGNFCRCH-LJQANCHMSA-N 418.950 4.083 0 1 HIAF Cc1nc(C)c(-c2cc(C(=O)N3CCC(c4ccn5nncc5c4)CC3)ccc2C)[nH]1 141908973 SVVZHPARZDDVLO-UHFFFAOYSA-N 414.513 4.064 0 1 HIAF COc1cncc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2nccs2)c1 167405152 SYHFZDXFDUPCKC-QGZVFWFLSA-N 409.511 4.476 0 1 HIAF O=C(Cc1ccccc1)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 169317725 YSQGOAIMOXCEEX-HSZRJFAPSA-N 404.853 4.242 0 1 HIAF Cc1cc2ccccc2n1[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 169352270 UXNXQIHNYJHXKS-HSZRJFAPSA-N 403.526 4.264 0 1 HIAF O[C@@H](COCc1ccc(OCc2ccccc2)cc1)CN1CCc2ccccc2C1 219732034 XEPPMWAJWHIXAA-RUZDIDTESA-N 403.522 4.201 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](O)c5cccc(O)c5)[nH]c4c3)o2)cc1 586892576 RVZRUEOHAUXGOZ-FQEVSTJZSA-N 414.421 4.076 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(Br)nc2[nH]1 587167034 FUQMUPMHKJHBSU-CYBMUJFWSA-N 404.243 4.229 0 1 HIAF COc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1F 587171214 MYLWYNQNYFVEHW-UHFFFAOYSA-N 415.421 4.318 0 1 HIAF O=C(O)C[C@@H]1CCc2occc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349651 FUEWDZKYICDFJE-XYXGBRQHSA-N 422.408 4.416 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c(N)c1)(c1ccccc1C(=O)O)O2 587377348 WKLBDFUIPTWNJE-QHCPKHFHSA-N 422.868 4.420 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C(c4ccc(O)cc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O 587454895 ZGDYUIOUZTYAPF-DFBJGRDBSA-N 414.413 4.183 0 1 HIAF CCOC(=O)C(=O)C[C@]1(c2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587520404 AKVDTLPICIZPQV-VWLOTQADSA-N 406.478 4.257 0 1 HIAF CCOC(=O)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549618 SAEZOYXICVLLNM-AUSIDOKSSA-N 424.836 4.466 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccc(F)cc3c2=O)N1 587735922 VSPFTQFDPMOKSS-NIVTXAMTSA-N 406.226 4.457 0 1 HIAF COc1ccc(-n2cccn2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587756436 DRDDABYKIXXNHX-MPBGBICISA-N 416.294 4.406 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)s2)N1 587851842 CVMSMZARHDMGMH-QTTZVWFDSA-N 406.118 4.431 0 1 HIAF COc1cc(NS(C)(=O)=O)ccc1NCc1c[nH]c2ccc3nc(C)ccc3c12 1657718 APDKJIDAXOXMTL-UHFFFAOYSA-N 410.499 4.017 0 1 HIAF O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2cccc(F)n2)CC1 13782297 KHZLZXSGRGLSSP-UHFFFAOYSA-N 410.320 4.212 0 1 HIAF CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)[C@@H](O)C(C)(C)C 13975715 PGZQBZCWIHOLGU-FUHWJXTLSA-N 411.554 4.012 0 1 HIAF CC(=O)Nc1cnn(-c2ccc(C(=O)N3CCC4(C=Cc5ccccc54)CC3)cc2)c1 14881150 VLVQCUHGBQNGNV-UHFFFAOYSA-N 412.493 4.032 0 1 HIAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)c1cccc(C(F)(F)F)c1 29395579 ALOFPCCPHHKNFS-HNDWKTGHSA-N 413.436 4.321 0 1 HIAF Cc1nc2sc(C(N)=O)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c(=O)[nH]1 72117994 HEPACUZHUMKLOL-UHFFFAOYSA-N 421.322 4.097 0 1 HIAF COC(=O)c1ccc2c(c1)c1c(n2CCCS(=O)(=O)c2ccccc2)CCCC1 73162485 KQQVMDYUKKKQSC-UHFFFAOYSA-N 411.523 4.171 0 1 HIAF CCCCCN1[C@@H]2CC[C@@H]1CC(NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2 101633469 UBKBKEPCLMAPQL-NHCUHLMSSA-N 409.574 4.498 0 1 HIAF O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(Cl)cc2)cc1 115731770 QWHLUCMKDMXEJW-UHFFFAOYSA-N 415.898 4.429 0 1 HIAF C[C@@H](C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)CCC(=O)O)C(=O)O 166245035 OFCQCSHBABYJSE-LIRRHRJNSA-N 417.889 4.010 0 1 HIAF Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)=N2 166517963 AICWUJIMNGABQW-GASCZTMLSA-N 408.502 4.408 0 1 HIAF CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1)c1ccccc1 299886486 XGQMKJRYIUKUDL-ILBGXUMGSA-N 413.521 4.421 0 1 HIAF Cc1nn(Cc2nc3ccc(F)c(Br)c3[nH]2)c(C)c1Br 586979038 OMGFZFAMUVUUQI-UHFFFAOYSA-N 402.065 4.089 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cccnc2[nH]1 587222726 ZNMCMCGPQLGNNQ-KRWDZBQOSA-N 410.474 4.047 0 1 HIAF CCOC(=O)C[C@@]1(c2cc(F)c(F)c(C)c2F)CC(=O)c2cc(C)cc(N)c2O1 587380721 BZHWGCCFDRJMCY-OAQYLSRUSA-N 407.388 4.117 0 1 HIAF CC(C)(C)NS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534187 XODXOBSANUEIJU-OAQYLSRUSA-N 413.539 4.349 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587700116 RUGHBNPXAADIFR-DYBLOJMWSA-N 409.686 4.280 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@H]2Cn2cncn2)N1 587760987 RUCFUJSASJNHQK-FRIZHTMISA-N 407.331 4.190 0 1 HIAF COc1ccc(-n2cccn2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587761425 UGIRJQRFRCRHNK-ODXCJYRJSA-N 416.294 4.406 0 1 HIAF COC(=O)c1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587805346 TVJYXPOOXDKJLN-APBUJDDRSA-N 417.278 4.480 0 1 HIAF Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587839513 SMEMGJYENBOAPP-PRWKNARSSA-N 418.262 4.035 0 1 HIAF Cc1c(C2CC2)nc2ncc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cn12 653732552 ZOZXJNBNCUQRMU-UHFFFAOYSA-N 406.873 4.298 0 1 HIAF Cn1cccc1CN1CCc2sccc2[C@@]12CCCc1c2cnn1-c1ccccn1 962397098 JIAYUTOQCTVQEE-XMMPIXPASA-N 415.566 4.306 0 1 HIAF CN1C(=O)C[C@H]2CN[C@@](c3cccc(CN4CCCCC4)c3)(C3CC3)c3cccc1c32 963025579 OQPNZZPOIWMRQO-CCLHPLFOSA-N 415.581 4.379 0 1 HIAF CCOC(=O)CCC(=O)Nc1ccc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963101879 MIWNBZNQHSSMNX-OFVILXPXSA-N 424.516 4.392 0 1 HIAF CCCCCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1OCC 963506059 DTKBYYPPTZPNCB-FDDCHVKYSA-N 413.514 4.357 0 1 HIAF CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3ccc4c(c3)CC[C@H](CCC(=O)O)O4)n2)C1 1772607505 PGPQNVUVHSSUSY-BZUAXINKSA-N 419.424 4.141 0 1 HIAF Cc1c(C)c2ccc(OC[C@H]3CCCN(Cc4ccc(CO)cc4)C3)cc2oc1=O 1857550994 BXCUGXRKJOGSPH-NRFANRHFSA-N 407.510 4.193 0 1 HIAF COc1ccc(N[C@H]2CCc3nnc(C)n3-c3ccc(-c4ccc(=N)[nH]c4)cc32)cc1 1857589073 JEVNVUIIIAJZTE-NRFANRHFSA-N 412.497 4.158 0 1 HIAF C[C@]1(O)CCN(Cc2cccs2)[C@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 2356289809 ZYKGSWGLEHADDF-GPXNEJASSA-N 424.541 4.384 0 1 HIAF CC1=CCCC(C(C)C)=CC(=O)O[C@H](C)CCC(C)=C2OC(=O)[C@@H]3[C@@H]2[C@@H]1O[C@@]3(C)O 2356544447 PODFUNZMQLOKFU-GZPGGTCDSA-N 418.530 4.191 0 1 HIAF COC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(Cc3ccccc3)n2c1 72137513 KJQYNAPRNVKYDP-UHFFFAOYSA-N 402.450 4.396 0 3 HIAF CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O 602989 YSFRXMSOTXOZQZ-HNNXBMFYSA-N 409.404 4.297 0 1 HIAF COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 2489244 MKDDBRWMNLLQTH-NRFANRHFSA-N 400.563 4.465 0 1 HIAF CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 3782892 YPAWMJLSBPSGII-UHFFFAOYSA-N 422.481 4.175 0 1 HIAF COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1ccc(-n2ccnc2)cc1 10355214 JCKWRURPIFAYME-OAQYLSRUSA-N 418.522 4.064 0 1 HIAF COc1ccc2c(Br)c(CCNC(C)=O)n(Cc3ccccc3)c2c1 13863809 OGAFDYXDFIKSFQ-UHFFFAOYSA-N 401.304 4.139 0 1 HIAF COC1(c2cc(Sc3ccc4c(c3)OCC(=O)N4C)cc(F)c2C)CCOCC1 27309996 OYEUBYXWCASZTO-UHFFFAOYSA-N 417.502 4.293 0 1 HIAF CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1SC(=O)c1ccccc1 27417662 NPKUUMKZGFOQPU-SQNIBIBYSA-N 403.544 4.061 0 1 HIAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)S1 45388334 NCXQJPOFNFYTTM-GFCCVEGCSA-N 402.781 4.440 0 1 HIAF Cc1nccn1-c1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1 142085844 RIAHHEUOSGKUFF-HNAYVOBHSA-N 406.490 4.125 0 1 HIAF CCCc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 168540765 HWQDLOLOWYCWIO-UHFFFAOYSA-N 401.510 4.444 0 1 HIAF COc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(C)=O)ccc1OCc1ccccc1Cl 169729874 LZSOLPNUSPRBNW-UXHICEINSA-N 400.862 4.358 0 1 HIAF CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)C)on3)c2)ncn1 201321647 JGQCTOQSKJYTIU-UHFFFAOYSA-N 406.446 4.135 0 1 HIAF N[C@@H]1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)CC1 205261979 GIWBSVUHLIJMSE-OAHLLOKOSA-N 402.477 4.144 0 1 HIAF CC(C)(C)Oc1cc(-c2ccc3c(c2)C(=O)N(Cc2ccccn2)CCO3)ccn1 206218355 WXRUYCXPUQTRHE-UHFFFAOYSA-N 403.482 4.356 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1ccc(C)o1 261165430 RUYOTOCITILBMR-INIZCTEOSA-N 414.845 4.258 0 1 HIAF CCN(CC)C(=O)Cc1c(-c2ccc(OCC3CC3)cc2)nn2c(C)cc(C)nc12 299859798 IJOAKTDOROJPJV-UHFFFAOYSA-N 406.530 4.213 0 1 HIAF Cc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)cc1 299868416 RHZXDVCKUWPBFF-UPVQGACJSA-N 417.534 4.170 0 1 HIAF O=C(c1ccc(F)cc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 473083035 AQSFORPPQYDEMZ-UHFFFAOYSA-N 423.879 4.374 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)c(F)cc2[nH]1 586935490 IFHGKJJGJGYPIB-INIZCTEOSA-N 421.563 4.400 0 1 HIAF Cc1ccc(-c2nnc(SCc3nc4ccnc(Br)c4[nH]3)n2C)cc1 586965193 LGMKEVGGJJJMEJ-UHFFFAOYSA-N 415.320 4.117 0 1 HIAF O=C(Nc1sc2c(c1-c1nc3c(O)nncc3[nH]1)CCC2)c1ccccc1Cl 587030854 LJURFLRVGHSNEN-UHFFFAOYSA-N 411.874 4.181 0 1 HIAF Cc1ccc2c(c1)OC[C@@]1(CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354912 BXFXQDCLIRGOLF-LADGPHEKSA-N 406.409 4.409 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3c(Br)cc(Cl)cn13)O2 587370677 AVWDOHCJKSMLIP-HNNXBMFYSA-N 406.667 4.347 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)([C@@H](C)NC(=O)OC(C)(C)C)O2 587388066 VHCAUSABVWBHRT-GYCJOSAFSA-N 410.514 4.437 0 1 HIAF COc1cccc(NC(=O)C[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587391016 RBYRDRVAEZDAMW-VWLOTQADSA-N 416.477 4.475 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc3c(c1C)C(=O)N/C(=C/Cl)N3)O2 587412994 LASDCZLKMKJSLI-INWINEHPSA-N 403.891 4.021 0 1 HIAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1OC 587414325 UPEGRTKMXZMUOR-YJYMSZOUSA-N 419.271 4.354 0 1 HIAF O=C1C[C@@H](c2sc(N3CCC(O)CC3)nc2Cl)Oc2c1ccc1c2CCCC1 587534017 AHAIYRIYPZGKEB-KRWDZBQOSA-N 418.946 4.343 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ncc1F 587568197 GMYPUBWHGWZUKA-QFBILLFUSA-N 416.202 4.392 0 1 HIAF Cc1ccccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581266 VIQACJRVFPHAAI-XUZZJYLKSA-N 403.434 4.450 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c(O)nc2-c2ccccc2)N1 587793648 SAVJRLUPSXIULD-BMLIUANNSA-N 402.267 4.308 0 1 HIAF COc1ccc2occ([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587836982 CRJGGAAWKRXKHS-DGIBIBHMSA-N 418.262 4.327 0 1 HIAF COc1cc(C)ccc1OCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867209 AFLZJEPSOVUQQP-UHFFFAOYSA-N 421.375 4.009 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(c1nc(Br)sc1C)N(C)[C@H](C)C2 962628289 HDMKANVVDIYUDD-MLCYQJTMSA-N 411.365 4.371 0 1 HIAF Cc1ccc2c(c1)[C@@]1(CCS2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962676962 YNFWCZQYWCPEGL-RPWUZVMVSA-N 404.535 4.381 0 1 HIAF O=C1CCCC(=O)C1C[C@@]1(c2ccc(Cl)cc2Cl)NCCc2ccc(O)cc21 963328170 DAOQTGRDYQOHME-QFIPXVFZSA-N 418.320 4.417 0 1 HIAF C[C@H]1CCCN(CC(=O)Nc2ccc(Nc3cc(=O)oc4ccccc34)cc2F)C1 1857567321 SYHJONDWJBYFHV-HNNXBMFYSA-N 409.461 4.346 0 1 HIAF CCCCc1c(O)n(-c2ccccc2OC)c(SCC(=O)c2ccccc2)nc1=O 100543303 UYGFPCSXNALGNV-UHFFFAOYSA-N 424.522 4.264 0 3 HIAF Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 598341 MYNLMIGJXBPKMR-QFIPXVFZSA-N 404.514 4.489 0 1 HIAF in-vivo Cc1cc(C)c2c(c1)[nH]c1nnc(SCC(=O)NCc3cccc(Cl)c3)nc12 2479476 GCVYKZGDVWHELT-UHFFFAOYSA-N 411.918 4.185 0 1 HIAF Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC(C)(C)C)CC2 3819885 SMWYQJHNQZBCPG-UHFFFAOYSA-N 409.596 4.068 0 1 HIAF CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@@H]12 101911324 LAAZEJPVRHNOIV-RFZJPIJTSA-N 417.962 4.155 0 1 HIAF O=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3F)ccc21)Nc1ccccc1 103292385 DJSWNLKBVZOTHY-UHFFFAOYSA-N 406.438 4.072 0 1 HIAF O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 34851251 YGWURLOZYUXZKA-UHFFFAOYSA-N 417.705 4.087 0 1 HIAF O=C(N1CCCC1)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 73279831 CIAIGDUPLJRKJZ-GOSISDBHSA-N 406.313 4.394 0 1 HIAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CC(=O)N(Cc2ccccc2)C1 43205878 SNGZRSUJQKMXGI-OAHLLOKOSA-N 410.823 4.024 0 1 HIAF O=c1n(-c2ccc(Cl)cc2)nc(-c2nc3ccccc3[nH]2)c2nc3ccccc3n12 40395611 HHDBIYNFBLALLC-UHFFFAOYSA-N 412.840 4.230 0 1 HIAF O=C1OCC2=C1[C@@H](c1cccc(OC(F)(F)C(F)F)c1)c1cc3c(cc1N2)OCO3 40897810 JUJLAQPTDQOPEB-INIZCTEOSA-N 423.318 4.020 0 1 HIAF C[C@H]1CN(c2nnc(-c3ccccn3)c3ccccc23)CCN1C(=O)c1ccccc1 49036371 PBMRTARCURRUQT-SFHVURJKSA-N 409.493 4.043 0 1 HIAF NC(=O)[C@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)C1 82162939 DXTUTUYJIDDWGO-INIZCTEOSA-N 415.522 4.122 0 1 HIAF CCCCC[C@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@H](CO)CNC)CC1 85492890 RFXLKVTYRRYTBK-XZCBWCRCSA-N 411.627 4.379 0 1 HIAF biogenic,in-vitro COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4nnnn4C=N[C@@H]32)cc1 98083425 RAEZGOIFZLNUMN-LADGPHEKSA-N 420.476 4.070 0 1 HIAF O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1ccc2c(c1)OCCO2 261144570 NQTYCEORLYEFDI-UHFFFAOYSA-N 424.453 4.219 0 1 HIAF COc1cc(C(=O)c2ccn(-c3cccc(N4CCCC4)c3)c2)cc(OC)c1OC 299824487 CCSPYHQYAAGYIH-UHFFFAOYSA-N 406.482 4.334 0 1 HIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4[nH]c(Cl)nc(C(F)(F)F)c-4n1)(C3)C2 587949970 HAEUUMAHDZJWBW-KBDCMEBJSA-N 414.815 4.130 0 1 HIAF COC(=O)c1ccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)o1 587455079 IKXXWOXJEWQADH-JPYJTQIMSA-N 420.417 4.143 0 1 HIAF O=C(O)c1cc(F)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586985787 RQWLIQNNNAETOF-QGZVFWFLSA-N 418.266 4.348 0 1 HIAF CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(SC)n1 587611251 FYCSFCDDOXWXCB-YJBOKZPZSA-N 412.492 4.329 0 1 HIAF Fc1cnc(Br)c2[nH]c(-c3ccnc(Br)c3Cl)nc12 587005731 PJXZPCSBRGOJGI-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF Cc1nc(NC[C@@H]2CCCO2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587536327 UNJPDDYTVXAJAF-QMHKHESXSA-N 412.555 4.802 0 1 HIAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCCCN1C(=O)OCc1ccccc1)[C@@H](C2)C3=O 587439884 XDECJEWBOGYFFY-YCRNBWNJSA-N 407.466 4.003 0 1 HIAF C[C@]1(c2cccc3sc(N)nc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620058 WQTYEOCGHHWDIP-HTAPYJJXSA-N 404.447 4.461 0 1 HIAF CCOC(=O)Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587795725 JCAXUZRRYYRBCL-ZSEKCTLFSA-N 420.322 4.492 0 1 HIAF COc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587758005 WNJUMHDHJRMYSS-ODXCJYRJSA-N 416.294 4.406 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ncccn2)N1 587737645 ZFLABRCXZVAGLW-YUNKPMOVSA-N 416.269 4.343 0 1 HIAF O=C(NCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1cccc(C(F)(F)F)c1 587112287 RZHCUGPAMOUDMV-UHFFFAOYSA-N 403.282 4.410 0 1 HIAF O=C(C[C@]1(c2ccc3c(c2)OCO3)NCCc2c(Cl)cc(Cl)cc21)C(F)F 963119763 ICLGTBXSSXKYGR-LJQANCHMSA-N 414.235 4.336 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@](c3ccc(F)cc3)(c3cc(F)cc(F)c3)c3cccc1c32 963026737 KBYGIMQVHCPDCR-JBEBIEQOSA-N 408.423 4.449 0 1 HIAF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(Cl)cc1 13473892 BWSKHXWRDJZHMX-FQEVSTJZSA-N 417.937 4.209 0 1 HIAF Cc1c(F)c(Oc2cccc(CC(=O)O)c2)nc(Oc2cccc(C(=N)N)c2)c1F 13473999 AKZVQIPXPBAZMZ-UHFFFAOYSA-N 413.380 4.164 0 1 HIAF O=C(CC[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)NCc1ccc(F)c(F)c1 13596632 BJTBZGSDTRXIDG-QGZVFWFLSA-N 414.496 4.208 0 3 HIAF CN(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)c(C(=O)O)c1 13758635 MARBTUVRGMMURK-UHFFFAOYSA-N 403.478 4.207 0 1 HIAF COC(=O)/C1=C/C=C(\C(C)C)CCC2=CCC[C@](C)(OC2=O)[C@H](OC(C)=O)CC1 169319427 GCDVQIVAHBRSQZ-CEZUZBGKSA-N 404.503 4.196 0 1 HIAF CC1(OC(=O)N2CCC(N(C(=O)c3ccc(-c4cnco4)cc3)C3CC3)CC2)CC1 207680387 RUKMTRNCJAWVKD-UHFFFAOYSA-N 409.486 4.100 0 1 HIAF O=C(CCN1CCC(CCc2ccccc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 1857543308 IAQQITVVEGJRNS-AREMUKBSSA-N 419.613 4.112 0 1 HIAF Cc1c(O)c(=O)ccn1Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O 1857610882 MSIXHVCIVGZXSV-UHFFFAOYSA-N 423.852 4.249 0 1 HIAF O=C1[C@H](c2ccccc2)CCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857766901 NVTOSHDAHDXEDR-PMACEKPBSA-N 420.459 4.450 0 1 HIAF C[C@@]1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CON=C1c1ccc(Cl)cc1 768966 QEYXBXJPAGKRNS-GOSISDBHSA-N 412.795 4.296 0 1 HIAF CCCCc1ncc(CNc2ccccc2C(=O)O)n1Cc1ccc(C(=O)O)cc1 1537710 CYMNUSLALCTFLJ-UHFFFAOYSA-N 407.470 4.283 0 1 HIAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccs2)[C@H]1c1c[nH]c2ccccc12 2469369 SVBYHUAIIYTCBM-FCHUYYIVSA-N 415.518 4.456 0 1 HIAF Cc1ccc(/C=C2\SC(=O)N(CS(=O)(=O)c3ccc4ccccc4c3)C2=O)o1 13479507 CZOGJZAYEKGMQE-WQRHYEAKSA-N 413.476 4.209 0 1 HIAF CCc1oc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1-c1ccccc1 26579516 BCKYZQXYVOOTDX-IBGZPJMESA-N 422.506 4.420 0 1 HIAF COc1ccccc1N(C(=O)[C@@H](C)OC)[C@@H]1CCN(CCc2cccs2)C[C@@H]1C 26728316 MMLFNTYVDTXUQB-NLWGTHIKSA-N 416.587 4.078 0 1 HIAF CS[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 27551086 GLOCMASIJFEJLP-OFIJFTJESA-N 422.562 4.178 0 1 HIAF CC(C)Nc1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29132466 VKYBVWXVXZGXSX-UHFFFAOYSA-N 402.545 4.041 0 1 HIAF CC(C)N(c1ccc([C@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1F 34891862 LHGFALDPWSWDGB-KRWDZBQOSA-N 405.413 4.199 0 1 HIAF COc1cccc(N(Cc2cc(=O)[nH]c3c(F)cccc23)C(=O)c2scnc2C)c1 40421945 DQWWNWAMOMECBK-UHFFFAOYSA-N 423.469 4.288 0 1 HIAF O=C(NCCNc1ccnc(Nc2ccc(F)cc2)n1)c1cc2ccccc2s1 45301770 KUGVUTPQOKLUEK-UHFFFAOYSA-N 407.474 4.416 0 1 HIAF O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1ccc(C(F)(F)F)cc1 71329843 PYFGDFSZLFSOGO-DHDCSXOGSA-N 422.384 4.047 0 1 HIAF Fc1cccc(CCNc2ncnc3c2nc(-c2ccccc2)n3C[C@@H]2CCCO2)c1 82179421 IATIBZAXKXYEHN-FQEVSTJZSA-N 417.488 4.466 0 1 HIAF CC(C)(F)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 118402065 WGJXJASXHUZSKW-MRXNPFEDSA-N 403.408 4.036 0 1 HIAF O=C(N[C@H](c1ccccn1)C(F)(F)F)c1cc(OCC(F)(F)F)c(C2CC2)cn1 149237357 JNQAIADWINAWLA-OAHLLOKOSA-N 419.325 4.329 0 1 HIAF O=C(c1ccc(F)cc1)N1CCn2nc(COc3ccccc3)cc2[C@@H]1C(F)(F)F 168078976 OGACDUCHEFKXNL-LJQANCHMSA-N 419.378 4.361 0 1 HIAF Cc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)cc1 169299201 HCPMBDJDMRNPHJ-LWKOISQLSA-N 402.560 4.148 0 1 HIAF CCC(=O)c1ccc(OCCCCOc2ccc(C(=O)O)cc2OC)c(C)c1O 169351435 TYLPYGPQYGWMJV-UHFFFAOYSA-N 402.443 4.238 0 1 HIAF COC(=O)COc1cccc([C@@H](C)Nc2cc(-c3cccc(OC)c3)nc(C)n2)c1 205342196 HKIJHCBOZFTEMW-OAHLLOKOSA-N 407.470 4.186 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCC4CC(C)(C)OC(C)(C)C4)ncc23)ccn1 261159798 QPJYEVPSSIROTK-UHFFFAOYSA-N 422.533 4.434 0 1 HIAF COc1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2n1 586920518 SUBMPJDPHMTBET-UHFFFAOYSA-N 417.965 4.252 0 1 HIAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3ccccc3cc2[nH]1 586965081 JJDCESXAEFQEMQ-UHFFFAOYSA-N 403.515 4.173 0 1 HIAF c1ccc(Cn2c(SCc3nc4cc5cn[nH]c5cc4[nH]3)nnc2C2CC2)cc1 586966744 QWTRDKOKDHRGDX-UHFFFAOYSA-N 401.499 4.249 0 1 HIAF O=C1c2ccccc2-c2cc(-c3cccc(N4CCNC4=O)c3)nc3ccc(O)c1c23 586987484 BPPWMEBUDJJSKV-UHFFFAOYSA-N 407.429 4.348 0 1 HIAF Brc1nc(-c2nc3ccnc(Br)c3[nH]2)c(C2CC2)s1 587013307 SXROPLVFJJXQQV-UHFFFAOYSA-N 400.099 4.484 0 1 HIAF CC1=C(c2ccc3nc(-c4cnn(-c5ccc(Cl)cc5)c4C)[nH]c3c2)NNC(=O)C1 587075068 AOKSGLYTQXDSDI-UHFFFAOYSA-N 418.888 4.133 0 1 HIAF COC(=O)c1ccnc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587110452 XMTFIJSLWCEPMD-UHFFFAOYSA-N 403.282 4.373 0 1 HIAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccnc(OC)c4[nH]3)nc2n1 587115071 MBOWILNAVZNSFI-UHFFFAOYSA-N 422.436 4.432 0 1 HIAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(S)nc(S)nc3[nH]2)cc1F 587150658 NJGJDDVLQLWBBM-AWEZNQCLSA-N 402.451 4.377 0 1 HIAF COC(=O)Cn1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)nn1 587364575 XJMROVGRNZHKBM-UHFFFAOYSA-N 414.421 4.088 0 1 HIAF COc1cc2c3c(c1)O[C@](c1cn(CC(=O)O)c4ccccc14)(C(C)C)[C@@H](C2)C3=O 587430616 JVSRIIPBSBKUAC-BXKMTCNYSA-N 405.450 4.033 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H](NC(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587433947 XQNTYQVICQVMDP-WVMBUTMQSA-N 407.466 4.050 0 1 HIAF COc1ccc(C(=O)Oc2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 587442704 NFPNOOBADFVEHE-HYBUGGRVSA-N 416.429 4.412 0 1 HIAF CCOC(=O)C(=O)C[C@@]1(c2ccccc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587520403 AKVDTLPICIZPQV-RUZDIDTESA-N 406.478 4.257 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2cccnc2)N1 587767973 ZIHVEBANYTUGQD-WLRWDXFRSA-N 401.283 4.007 0 1 HIAF O=C(CCN(Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)N1CCOCC1 653738184 PVRHCAWIVUXXDL-UHFFFAOYSA-N 411.304 4.388 0 1 HIAF CN1C(=O)C[C@H]2CN[C@@H](c3n[nH]c4ccc(OCc5ccccc5)cc34)c3cccc1c32 963035453 RTUPYUIBSAOOQQ-SSOJOUAXSA-N 424.504 4.285 0 1 HIAF COc1ccc(CCC(=O)c2c(O)cc(O)c3c2OC(=O)C[C@H]3c2ccccc2)cc1 13382651 NJBYGZXCUVMTGT-SFHVURJKSA-N 418.445 4.363 0 1 HIAF biogenic O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)c1 13608774 VCVHOTMCZLRSOP-OWOJBTEDSA-N 422.331 4.241 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)c(C)c2)[C@H]1Oc1ccc(C(=O)O)cc1 27210961 MIGLJSMFEAXRLC-QFIPXVFZSA-N 424.497 4.265 0 1 HIAF C[C@@H]1C(=O)[C@]2(CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)CC[C@H]1C2(C)C 27305078 ZIKSQYXDYRQMMQ-RGZWJVDOSA-N 413.583 4.018 0 1 HIAF CSc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1 27733869 MLSZXJCNMSDLMX-MOPGFXCFSA-N 423.003 4.164 0 1 HIAF O=C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NCCc1ccc(O)cc1 43020423 BORGBWPZDHQNBM-UHFFFAOYSA-N 400.478 4.354 0 1 HIAF O=C1NC(=O)[C@@](c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)(C2CCCCC2)O1 71331262 WQIAJZRSJNRWOS-DEOSSOPVSA-N 402.450 4.237 0 1 HIAF CC(C)CNC(=O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 72180882 VJYDYOYYSFAXSI-DLGBIPEUSA-N 405.538 4.217 0 1 HIAF CC[C@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2ccc(-c3ccccc3)cc2)n1 82219393 DOGNOFOLDANIHM-SFHVURJKSA-N 416.525 4.493 0 1 HIAF COc1cc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cnc1OC(C)C 84596944 SVPSZQCGHLZVAS-UHFFFAOYSA-N 422.441 4.093 0 1 HIAF Fc1cccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)n1 84602296 BMIXXIGEPMPTIS-UHFFFAOYSA-N 417.488 4.057 0 1 HIAF Cc1ccc(-n2nc(C)c3c2OC[C@H]2COc4ccc5c(C)cc(=O)oc5c4[C@@H]32)cc1 95592512 VNBCYQKSEHOBAU-OPAMFIHVSA-N 414.461 4.437 0 1 HIAF FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ccc4cccnc4n3)CC2)c1 103254393 KYOYTQPAIPDTJE-UHFFFAOYSA-N 417.460 4.168 0 1 HIAF C1=CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 117684115 JYVQQVITMQSABB-UHFFFAOYSA-N 412.501 4.395 0 1 HIAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1OCCCC(F)(F)F 143220562 OFVXFYHEMPXWQX-UHFFFAOYSA-N 408.298 4.367 0 1 HIAF O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1 167678675 QQYZOYCTVWKFPA-KNQAVFIVSA-N 420.476 4.301 0 1 HIAF O=C(Nc1ccccc1)N1CCC([C@@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1 203788252 YQNFLDBZFLCLLR-GGAORHGYSA-N 402.498 4.148 0 1 HIAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cn12 223402188 NCFYEEMYLICQLF-UHFFFAOYSA-N 406.873 4.298 0 1 HIAF Cc1cc(OCCCN2C[C@@H]3CCCN[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 253992299 VORZMLWIEYTBEN-MBSDFSHPSA-N 422.548 4.439 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Br)cnc2[nH]1 587042462 KGPRDKAZYMFHPE-GFCCVEGCSA-N 409.696 4.029 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Br)cnc2[nH]1 587042463 KGPRDKAZYMFHPE-LBPRGKRZSA-N 409.696 4.029 0 1 HIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587044008 XHSWQILLQRZASJ-JTQLQIEISA-N 408.396 4.232 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)c(F)c2)c1 587147007 FIGPREDFBCRMKR-UHFFFAOYSA-N 406.369 4.472 0 1 HIAF Cc1c(Br)ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587148749 LGQYNUQXEFNXLL-GFCCVEGCSA-N 420.257 4.428 0 1 HIAF Ic1cccc(/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)c1 587183856 JYLWWSCJHWXJRP-SNAWJCMRSA-N 404.207 4.109 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cn5ccccc5n4)cc1)[C@@H](C2)C3=O 587435841 JGUOCTILLCSPLO-NBGIEHNGSA-N 412.445 4.411 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccc(O[C@@H](C(=O)O)c4ccccc4)c1)[C@@H](C2)C3=O 587439178 KFPGJVABZSFRGF-WUMKDDEVSA-N 416.429 4.389 0 1 HIAF Nc1ccc2c(c1N)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587512598 ZLNHIDNXFPLCCC-AREMUKBSSA-N 410.473 4.183 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1(C(=O)O)CC1 587612825 WSPVHNITUGIRCB-DVECYGJZSA-N 402.402 4.114 0 1 HIAF CC(C)c1ccc(OCn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)cc1 587652381 CZVVNAFEWHBAFA-UHFFFAOYSA-N 422.872 4.095 0 1 HIAF C[C@H](NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1ccccc1 587656532 MSEWVTAQKJFHDA-HNNXBMFYSA-N 419.431 4.333 0 1 HIAF CCn1ncc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587701364 CKYJJZIBLCMWMU-XXFAHNHDSA-N 420.248 4.453 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(F)cc2)N1 587727993 CLWZAPFJUHJVSR-NSPYISDASA-N 410.258 4.370 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccncc3)CC2)N1 587771687 WMYWYWVIROFLCV-CQSZACIVSA-N 404.327 4.009 0 1 HIAF CCOC(=O)C[C@@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587850106 XCXUNGDUSCTTNI-BBATYDOGSA-N 412.324 4.381 0 1 HIAF CC(=O)Nc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852086 KEEBIZOZXSPGFY-RBHXEPJQSA-N 412.328 4.109 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1cc(Cl)c(C)n1 587868013 HOGZEHPMJXYVSB-JTQLQIEISA-N 413.787 4.032 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 587933074 TUSWMPIQMQZSDK-HTAPYJJXSA-N 413.543 4.095 0 1 HIAF O=c1cc(-c2ccc3c(c2)OCCO3)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12 653666161 NYEXVFMWLPYIMU-UHFFFAOYSA-N 413.355 4.147 0 1 HIAF Cc1cn(C)c(-c2ccc3c(c2)CC[C@@H](C)N3C(=O)c2cc(Cl)c(O)cc2O)n1 653671433 YASUGMSGTIVYCC-CYBMUJFWSA-N 411.889 4.442 0 1 HIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)Cc3ccccc3CC2=O)c(Cl)c1 653738040 FBDZCNSGGOSWRL-UHFFFAOYSA-N 408.841 4.152 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)N(C)c1c(C)cc(Br)cc12 962946190 KOUHUVWIJIYKGE-PEBXRYMYSA-N 424.342 4.383 0 1 HIAF Cc1ccnc2c1CCN[C@@]21CC(C)(C)CC2=C1[C@H](c1ccccc1)NC(=O)N2C 963066180 FRSXYJGETCCQED-SQJMNOBHSA-N 402.542 4.201 0 1 HIAF O[C@@H]1C[C@H]2C[C@]3(C[C@H]1N2Cc1ccccc1)NCCc1c(Cl)cc(Cl)cc13 963110402 MVQUSDHMJYAYDN-JJCGOBCMSA-N 403.353 4.132 0 1 HIAF COc1ccc(Nc2ncnc3c2[C@H](c2cccc(O)c2)c2c(n[nH]c2C)O3)cc1 1772587877 ATALPDHZULRYLO-GOSISDBHSA-N 401.426 4.252 0 1 HIAF COc1cc(F)ccc1N=c1nc[nH]c2sc(C(=O)NC3CCCCC3)c(C)c12 1857618690 WTCLEHPLNOILBE-UHFFFAOYSA-N 414.506 4.375 0 1 HIAF COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4cccc(Cl)c4)CO3)c2c1 1857756032 QJGIREKLKPXRGX-UILWBTOOSA-N 412.917 4.361 0 1 HIAF CC(=O)N1C2(C=C[C@@]1(C)C(=O)NCc1cc(F)cc(C(F)(F)F)c1)CCCCC2 7992751 ITQSYQDHOBJYHA-IBGZPJMESA-N 412.427 4.341 0 1 HIAF O=C1NCN(CCc2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 13981799 QYDCMTRUYZGQLR-DQEYMECFSA-N 417.597 4.179 0 1 HIAF CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@@H]1NCCc1ccccc1 28122964 IRCXZXVVXFGLDK-DEOSSOPVSA-N 402.494 4.365 0 1 HIAF O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 64549144 WBGGAQYCINFEIY-INIZCTEOSA-N 415.748 4.209 0 1 HIAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1Br 103538458 WTLHZBJMZHGZBD-OAHLLOKOSA-N 421.320 4.443 0 1 HIAF COc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1-c1cncnc1C 114028138 ODLUEMGJIAZXKN-UHFFFAOYSA-N 403.891 4.056 0 1 HIAF Cc1ccn2c(C(=O)Nc3cc(-c4noc([C@@H]5CC5(F)F)n4)ccc3C)cnc2c1 144125850 XSHQNNBDPNOIQS-AWEZNQCLSA-N 409.396 4.376 0 1 HIAF COc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2N2CCC(C)CC2)cc1 169121071 FXOJMPWXXWUEHQ-UHFFFAOYSA-N 414.502 4.452 0 1 HIAF COc1ccc2cc1-c1cc(ccc1O)[C@H]1C[C@@H](O)C[C@@H]3CCC[C@@H](CC(=O)CC2)N31 169469033 IHNAIUPQWWANIH-OEEHMVQOSA-N 421.537 4.392 0 1 HIAF CC(C)(C)n1nnnc1[C@@H](C1CCCCC1)N1CCc2c([nH]c3ccccc23)CC1=O 210352655 DPZXONJZHQLZGS-JOCHJYFZSA-N 420.561 4.158 0 1 HIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(CC)cc1 299881573 OEYOURCNXBLVDM-VYSKDJSUSA-N 411.498 4.265 0 1 HIAF OCc1ccccc1-c1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 586895319 WXNUFONLQCEXMI-UHFFFAOYSA-N 423.476 4.449 0 1 HIAF Fc1cc2[nH]c(C(F)(Br)Br)nc2cc1Br 587088526 OEBQCIYCUBAOHX-UHFFFAOYSA-N 404.834 4.334 0 1 HIAF COC(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116622 JNWPCOOESOVGHW-UHFFFAOYSA-N 412.799 4.338 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cc(I)cc1F)O2 587385449 DAOGLQRCWRDHGU-AWEZNQCLSA-N 415.177 4.167 0 1 HIAF COc1cc2c3c(c1)O[C@](C)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433573 SIUKIBGWXFJUQH-KHOMTPLRSA-N 423.509 4.337 0 1 HIAF CC(=O)N(C)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587568293 BIJVQKJKFVPABE-XUZZJYLKSA-N 403.434 4.252 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCn1c(O)nc3cccc2c31 587588599 UEIURNUMRKYLJC-CYFREDJKSA-N 414.417 4.098 0 1 HIAF COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)O[C@H](C)C2 587617943 RPHZAXDSQNCHTD-KCSLVJNWSA-N 404.418 4.427 0 1 HIAF O=C(COc1ccc2c(c1)CCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660008 MBPDKWIRCVIDDC-UHFFFAOYSA-N 414.436 4.411 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCc2ccc(F)cc2)N1 587731656 HXOAMJWXCCFACO-MPBGBICISA-N 423.301 4.183 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc(N)cc3)C2)N1 587742547 AQBRVBLZLDWQRL-MEELVIRWSA-N 417.322 4.437 0 1 HIAF Cc1cc(C)cc(-n2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c1 587761288 AIMIGUTUYHAVIE-RBZFPXEDSA-N 415.310 4.409 0 1 HIAF CCOC(=O)CC[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587771822 DGDRLQHJKARXNC-ZUOKHONESA-N 421.310 4.104 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587797185 MFKPQPRIVPFTRJ-XCLFUZPHSA-N 406.295 4.238 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1ccccc1O 587870042 TVULZSSTFXYGIH-UHFFFAOYSA-N 409.389 4.111 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3[C@H]3CCCN3C)nc(Cl)c2C)s1 653808339 KCVSSWIVRALAID-ARFHVFGLSA-N 421.998 4.233 0 1 HIAF Cn1cccc1CN1CCc2sccc2[C@@]1(CC(=O)CCCO)c1ccccc1 962398362 NAWYUTBAABHICO-XMMPIXPASA-N 408.567 4.120 0 1 HIAF CCOC(=O)CCCC[C@@]1(c2cc(F)c(F)c(F)c2F)NCCc2c(C)ccnc21 963072734 URRFVNJVIKLKNV-QFIPXVFZSA-N 424.438 4.459 0 1 HIAF CC(C)(C)OC(=O)Nc1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963224193 BLGYNUZPCOOYJN-RTWAWAEBSA-N 419.481 4.270 0 1 HIAF CCOC(=O)c1ccc(Nc2cc(Nc3ccc(C(=O)OCC)cc3)ncn2)cc1 1857655222 JRPIJHCLNUECRJ-UHFFFAOYSA-N 406.442 4.317 0 1 HIAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)[C@H](O)C[C@@H]5[C@@H]4CC[C@]3(C)[C@H]1[C@H]2C 2356331386 IQLFOYKUCJTPMF-ANAOUROPSA-N 418.618 4.375 0 1 HIAF CC(C)CC(=O)OC[C@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1[C@H](O)C[C@@H]1C(=O)OC[C@@H]12 2356790080 FBWLXVATYBNVBV-HOJVTCNHSA-N 420.590 4.359 0 1 HIAF CC(C)CCNC(=O)CCc1nc2ccccc2n(Cc2ccccc2Cl)c1=O 3041900 ATYSJBGZBVJYFN-UHFFFAOYSA-N 411.933 4.193 0 1 HIAF Cc1nc(C(=O)N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc2c1[nH]c1ccccc12 15967634 QCASLWAJBCQBAX-GDBMZVCRSA-N 400.482 4.020 0 1 HIAF biogenic COc1cc2c(cc1OC)[C@@](C)(CCCN1CCN(c3ccccc3C)CC1)OCC2 27889918 WVPOXCPHZNQYBO-AREMUKBSSA-N 424.585 4.403 0 1 HIAF CC(C)N1CCC[C@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1 28862382 FYWUYEAPDIKEAN-KRWDZBQOSA-N 401.507 4.054 0 1 HIAF Cc1ccc(-c2nc(Cc3cc4cc(C[C@H]5OC(=O)NC5=O)ccc4o3)c(C)o2)cc1 29330189 OMIMGIWRCIYNIG-OAQYLSRUSA-N 416.433 4.473 0 1 HIAF O[C@@H](CCN1CCN(c2ccccc2)CC1)COc1ccc(-c2ccccc2)cc1 29487914 DMJPEDPFEVAEHH-VWLOTQADSA-N 402.538 4.306 0 1 HIAF COCCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2ccccc2F)n1 82150499 HWBWBMNYKZYRBY-UHFFFAOYSA-N 400.498 4.041 0 1 HIAF CCN(CC)c1ccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c(C)c1 95565112 CWMKSHXNSFUSCV-UHFFFAOYSA-N 417.912 4.009 0 1 HIAF NC(=O)CCC[C@]1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1 100364096 IPMIRONIKKLALD-HSZRJFAPSA-N 411.523 4.230 0 1 HIAF Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(CSc3ccccc3)CC(C)C)cc12 101789844 UZBJMNKDRIWFSB-QFIPXVFZSA-N 412.511 4.004 0 1 HIAF Cn1c(=O)c([S@](=O)c2cc(Cl)c(Cl)cc2Cl)c(O)c2ccccc21 104702116 UNUDHEXVLNGDJK-DEOSSOPVSA-N 402.686 4.371 0 1 HIAF C[C@@H](c1ccc(-c2ccn(C3CC3)c(=O)c2)cc1)N1CC[C@]2(CC[C@@H](O)C2)OC1=O 142420556 UNKLHCMKXASOIS-FBOFTVOISA-N 408.498 4.037 0 1 HIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C(C)C)n2c1COCC2)c1ccccc1 146068841 DFIYVMXIYOVUOU-NHCUHLMSSA-N 423.557 4.160 0 1 HIAF CNCC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1 149349251 NBTFOFPNKQBFNU-UHFFFAOYSA-N 423.480 4.075 0 1 HIAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1cnc(OC(F)F)c(Cl)c1 167766372 OMGGLDITIJYJNZ-ZDUSSCGKSA-N 412.820 4.217 0 1 HIAF CC(C)OC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1 169305463 ZOYZJDSQGLSKMJ-UHFFFAOYSA-N 424.383 4.300 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccc(C)o4)[C@@H]3c3ccco3)sc2c1 169691850 ITIZJANZAYCPAV-ROUUACIJSA-N 420.446 4.255 0 1 HIAF CCCC[C@@H]1CNC2=[N+]1C[C@H](Cc1ccc(OC)cc1)N2CC[C@@H]1C[C@@H]2CC[C@@H]1C2 169721139 KWTDWBFTETWUMK-RMRNXIRCSA-O 410.626 4.279 0 1 HIAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2CF)n1)c1cc(-c2ccc(Cl)cc2)on1 221680104 BFRYXYOIUNFQSA-FZMZJTMJSA-N 417.828 4.253 0 1 HIAF COC(=O)c1c(O)cc2c(c1C)Oc1c(Cl)c(OC)c(Cl)c(C)c1C(=O)O2 238779011 YCJJEZYUAQFMTE-UHFFFAOYSA-N 413.209 4.436 0 1 HIAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)[C@H](C)CCc4ccco4)[C@H]3[C@@H]3O[C@@]132 299883287 RBCTULBZWUFMDN-LPSPQEERSA-N 401.547 4.058 0 1 HIAF COc1ccn2cc(-c3ccc(NC(=O)N=c4cc(C(C)(C)C)o[nH]4)cc3)nc2c1 473101872 KUSOBEWGEBGTRZ-UHFFFAOYSA-N 405.458 4.361 0 1 HIAF Cc1ccc(CSCCc2nc3cc(I)cnc3[nH]2)cc1 586971756 XOBQFQIOBKMYKQ-UHFFFAOYSA-N 409.296 4.347 0 1 HIAF Clc1ncc2nc(-c3cc(Br)cnc3NCc3ccccc3)nc-2[nH]1 586999683 FIIMWWUMEARKQU-UHFFFAOYSA-N 415.682 4.395 0 1 HIAF NC(=O)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 587000299 LFEATINPZTVPLD-UHFFFAOYSA-N 422.286 4.098 0 1 HIAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(I)cnc3[nH]2)s1 587013758 BYMRVGZDHNFCJZ-MRVPVSSYSA-N 414.272 4.092 0 1 HIAF Clc1cc(-c2nc3cc(I)cnc3[nH]2)c2ccccc2n1 587085250 OLXDOHRNMHIGNN-UHFFFAOYSA-N 406.614 4.431 0 1 HIAF O=C(Nc1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1)c1ccc(F)cc1 587162675 HPCZNBDOYDHKDX-UHFFFAOYSA-N 412.222 4.125 0 1 HIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Br)cc3[nH]2)cc1 587244439 ILOIKVCMDAYUJU-UHFFFAOYSA-N 411.259 4.465 0 1 HIAF COc1ccc(CCCC(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587273307 JXZVZZUKHAVCSS-UHFFFAOYSA-N 404.260 4.297 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(OC)ccc(Br)c14)[C@@H](C2)C3=O 587418737 VBDQCQFNFISQTG-YBTHPKLGSA-N 414.255 4.436 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(c4cccc(C)c4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587454721 WFXDEYRUVNPIKA-FYSMJZIKSA-N 402.402 4.212 0 1 HIAF CN(C)/C=C/[C@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551837 KLSUECBGBIPMCO-HPLOKGKWSA-N 422.868 4.373 0 1 HIAF CCOc1ccc(-c2nn(-c3ccc(OC)cn3)c(=O)c3ccccc23)cc1OCC 587668849 GWXHIHANDSAMON-UHFFFAOYSA-N 417.465 4.254 0 1 HIAF Cc1cccc2c1OC(C(=O)O)=C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587843563 SOYHEWZABFXLSQ-GIPWTMENSA-N 418.262 4.035 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)c1ccc(N2CCCOC2=O)cc1 961329295 XYWCWEISRXCFQR-RUZDIDTESA-N 424.541 4.200 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cn(-c3ccc(C=O)cc3)c3ccccc13)NCC2 962920475 BAPQPQUUDXQFMG-SANMLTNESA-N 423.516 4.380 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C(=O)[C@@H](c2ccccc2)Nc2ccccc21 963639417 VCEBJRUYZMLPRQ-YIOXSFGVSA-N 414.505 4.218 0 1 HIAF Cc1nc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@@](C)(F)CC3(F)F)c2)c(C)o1 1772628774 ANSIAVPOQGVLFC-ZWKOTPCHSA-N 412.387 4.232 0 1 HIAF Fc1ccc(Oc2ccc(Cn3cc(Cn4ccc5cncnc54)nn3)cc2)cc1 1857574610 BQJZBMBCCBYQFF-UHFFFAOYSA-N 400.417 4.051 0 1 HIAF O=S(=O)(c1cccc(Cl)c1)n1cc(C2=CCNCC2)c2ccc3ncccc3c21 1857751729 KNWZMARKGOYNBO-UHFFFAOYSA-N 423.925 4.457 0 1 HIAF CC(C)Oc1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1 11662025 DNXAYAYNTJIGPB-UHFFFAOYSA-N 419.529 4.155 0 3 HIAF CC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1c1ccc(N(C)C)cc1 12478571 XSJQCUJIDOREMY-KRWDZBQOSA-N 412.433 4.001 0 3 HIAF COc1cc2c(cc1OC)/C(=C\c1ccc(NC(=O)Nc3ccncc3)cc1)C(=O)N2 100072628 STUCHHVARJRVEP-WOJGMQOQSA-N 416.437 4.236 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1ccc2c3c(c(=O)oc2c1)CCCC3 103178599 HIKXKZSZDVBGDG-PXLXIMEGSA-N 420.461 4.411 0 1 HIAF Cc1ccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cccc(C)c3)cc2)cc1 100108051 CXXKKGQDDQXONQ-LNWKWYTESA-N 418.562 4.099 0 1 HIAF CCCNc1ccc2oc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2c1 103247687 QCQKRWMJIVIVGJ-UHFFFAOYSA-N 417.517 4.082 0 1 HIAF Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Br)cc1 35001733 KXPKCSUIQYSLED-UHFFFAOYSA-N 417.332 4.377 0 1 HIAF Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@H](C)NCCO)cnc12 84671953 LGVJSFVTVWXIFE-KRWDZBQOSA-N 419.525 4.227 0 1 HIAF Fc1cccc(CCNc2ncnc3c2nc(-c2ccoc2)n3C[C@H]2CCCO2)c1 82179554 OEMFZWGTGNQJDS-GOSISDBHSA-N 407.449 4.059 0 1 HIAF CCc1c2c(nn1C1CC1)C(=O)N(c1cc(C)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 220202311 WYUJMOVTXOPUEX-NRFANRHFSA-N 422.916 4.191 0 1 HIAF CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2CC[C@@H]1CCCN1C 82186222 QNOFQIYFLKUSBG-SFHVURJKSA-N 408.550 4.285 0 1 HIAF COc1cccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC(C)CC2)c1 137641434 OKIHLJTWXKSSNO-UHFFFAOYSA-N 414.502 4.452 0 1 HIAF CC1(C)CN(S(=O)(=O)c2cccc3ccccc23)CCN1C(=O)C1CCCCC1 40974494 WNJDEXBWZNHXJT-UHFFFAOYSA-N 414.571 4.032 0 1 HIAF CC(=O)OC/C(C)=C\CC/C(=C\CC/C(=C\CCc1ccoc1)C(=O)O)C(=O)O 238752535 HZACVSICXUMUFW-PNRYRWEJSA-N 404.459 4.304 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(COC(C)=O)C3 257505429 OQDCKOUFTOKDOD-SFKDNVJOSA-N 406.563 4.257 0 1 HIAF endogenous,in-man C[C@H](CO)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(/C=C/C(=O)O)cc1 473136444 RMZIARSKKBFMKY-PFKWOUEDSA-N 404.510 4.230 0 1 HIAF Cc1nc(Nc2ccc(F)c(Cl)c2)c2cc(NC(=O)CCN(C)C)ccc2n1 653818666 UOJNVYBSXLKMNE-UHFFFAOYSA-N 401.873 4.365 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3c(C)nc(C)cc3[nH]2)[C@H]1c1ccccc1Cl 587063430 VDACRXSETUXHLY-HRAATJIYSA-N 412.921 4.322 0 1 HIAF O=C(CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)Nc1ccccc1 587658289 JYFAYXFIJQKDMD-UHFFFAOYSA-N 415.424 4.262 0 1 HIAF O=C(COc1ccc2oc3c(c2c1)CCCC3)n1ncc2ccc(Cl)cc2c1=O 587652635 XEQAQMMFYMOLOJ-UHFFFAOYSA-N 408.841 4.394 0 1 HIAF CCOC(=O)[C@H](C(F)(F)F)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587710279 RJMJVFWRNOUDDI-IIRLODAESA-N 412.221 4.079 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CC[C@]14CCN(C(=O)OCc1ccccc1)C4)[C@@H](C2)C3=O 587445341 VLUFTFLNGZOYPM-OWAUWMPXSA-N 419.477 4.004 0 1 HIAF O=C(N[C@@H](c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1 587220462 SFHLVZCAQUREQT-QFIPXVFZSA-N 411.440 4.407 0 1 HIAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587806981 LAOLZYGYKZRDBT-BTDLBPIBSA-N 410.283 4.238 0 1 HIAF CCn1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587338262 CASBOVVFZBBXFM-QPSFQWMHSA-N 421.472 4.077 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587792616 PPMXDTHTCBCWIA-YPMLDQLKSA-N 417.278 4.480 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567150 FJFVMQPPWGFFFV-URXFXBBRSA-N 422.408 4.038 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 587350138 WUOAYHAEUKGWGC-QPPBQGQZSA-N 417.392 4.352 0 1 HIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O 587808906 RHROQKFQYAPRQB-BIBXISHDSA-N 422.294 4.320 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3nc(C)cc(C)n3)c(=O)c3ccccc23)c(O)c1 587665458 PPXRGBTXISWMPY-UHFFFAOYSA-N 415.497 4.011 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587810473 XMXUYBFCOUUNCB-GIGQVBGESA-N 408.267 4.146 0 1 HIAF C[C@H](CC(=O)O)C[C@]1(c2cccc3ccccc23)NCCc2c(C(=O)O)cccc21 963129020 DIAIHLMNFHMUOK-PUAOIOHZSA-N 403.478 4.428 0 1 HIAF COC(=O)c1ccccc1-n1cccc1[C@@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962617822 CFJGJIVBKCLTCZ-QMHKHESXSA-N 420.509 4.247 0 1 HIAF CCc1ccc([C@]2(c3cnccc3C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963237368 XTZOLHIZYPSDFU-AHKZPQOWSA-N 423.516 4.391 0 1 HIAF Cc1[nH]c(=O)nc(NN=Cc2ccc(Cl)cc2)c1C(=O)Nc1ccc(Cl)cc1 17191161 NWOXODRDGLSXDB-UHFFFAOYSA-N 416.268 4.083 0 3 HIAF CC(C)c1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)cc1 205210442 NWNPTAOXXNVKOO-CRAIPNDOSA-N 422.909 4.026 0 3 HIAF c1cnc(-c2ccc(CNCCCCNCc3ccc(-c4ncccn4)cc3)cc2)nc1 1857557375 AJDAUPUAGZTVTI-UHFFFAOYSA-N 424.552 4.260 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2ccsn2)=N[C@@H]1c1ccc(F)cc1Cl 1857635201 XZZUZBXSRKBFKS-QGZVFWFLSA-N 405.882 4.350 0 1 HIAF Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NCCNC3COC3)c2c1 1857750468 NTYDUHXYEYQERG-UHFFFAOYSA-N 420.532 4.035 0 1 HIAF CCN1CCC[C@@H]1CNC(=O)c1cc(Nc2ccccc2OC)nc2ccccc12 4911786 ONUBHWQYBXHIBK-QGZVFWFLSA-N 404.514 4.201 0 1 HIAF O=C(Nc1cccc(Br)c1)Nc1cc(Cl)ccc1-c1nc(=O)o[nH]1 13586809 BIAYVBTUMYRJBI-UHFFFAOYSA-N 409.627 4.090 0 1 HIAF O=C1NC(=O)[C@H](Cc2ccc(OCCc3csc(-c4ccccc4)n3)cc2)S1 26579806 IFMJJNFKMVOLGG-SFHVURJKSA-N 410.520 4.326 0 1 HIAF CN(C)Cc1cc(OCCCO)ccc1Sc1ccc(Br)cc1N 28870450 CLVQITJMWWKDJN-UHFFFAOYSA-N 411.365 4.005 0 1 HIAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1)[C@H](O)C3=O)C=CC(C)(C)O2 43079447 VRUKIMJALJVJOM-FGZHOGPDSA-N 422.477 4.468 0 1 HIAF biogenic CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccccc3)cc(N(C)C)nn12 64539906 GPCUMIOFOAIHFP-UHFFFAOYSA-N 423.513 4.373 0 1 HIAF COCCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccccc2F)n1 82151291 DCUKCPYWCRELBZ-UHFFFAOYSA-N 400.498 4.136 0 1 HIAF CNc1nc(C2CC2)c(-c2ccnc(Nc3cccc(N4CCCNCC4)c3)n2)s1 95605024 PHDVEAVKGNZPQH-UHFFFAOYSA-N 421.574 4.063 0 1 HIAF COc1ccc2c(N3CCN(c4ccccc4OC)CC3)nc(C3CCC3)nc2c1 96284491 RLNMVERRIAKFHG-UHFFFAOYSA-N 404.514 4.241 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1ccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 101199951 PDHHMAZLDSSIHQ-XZMJRDFISA-N 423.465 4.235 0 1 HIAF CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)o2)cc1 115829444 YVJZIIFGECXQOY-QUCCMNQESA-N 415.486 4.304 0 1 HIAF CCCC1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 169305111 MUFWRZBETBIBKR-UHFFFAOYSA-N 407.561 4.489 0 1 HIAF CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1CC21CCC(OC(C)C)CC1 210604802 VLZNLJRDFMUDDW-RRWXTXHCSA-N 404.352 4.344 0 1 HIAF NS(=O)(=O)c1cccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587070480 HJHSECSXCGHBHU-UHFFFAOYSA-N 419.293 4.246 0 1 HIAF COC(=O)c1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cn1 587127892 BQJOCDMYHKCXMU-YFKPBYRVSA-N 405.739 4.079 0 1 HIAF Cc1c(F)ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587169279 AMSQZRWREWYFNG-HXUWFJFHSA-N 413.449 4.217 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C(C)=O)ccc2[nH]1 587181677 ZLHWDKGWMHRDPM-SECBINFHSA-N 408.243 4.205 0 1 HIAF CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 587327637 HLKUZENRWMFMGM-NFBKMPQASA-N 423.827 4.416 0 1 HIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc1OC 587340710 UHNULBFBZLKLLC-REWPJTCUSA-N 409.413 4.218 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)ccc1I)O2 587386963 NENUJZOFGIXXNR-KRWDZBQOSA-N 411.214 4.202 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423801 ZKKURUHQCNCADH-IIBYNOLFSA-N 420.383 4.310 0 1 HIAF COc1cc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587592760 KFPXFWVRQPNQEG-URXFXBBRSA-N 422.433 4.295 0 1 HIAF CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650435 VNRVLRPXNJLZFY-UHFFFAOYSA-N 411.401 4.434 0 1 HIAF COC1=C(Br)[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587686018 VEVPDCLWDCAJOY-GLEZIHRCSA-N 405.105 4.364 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2cnn(C)c2)N1 587732517 NNCCKVUXJRHFRS-YUNKPMOVSA-N 418.285 4.287 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C2/Nc3ccccc3C(=O)O2)N1 587791229 JOAPIUTWXCGPAE-SHPYEECYSA-N 417.278 4.462 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCSCC3)nc2)N1 587857124 PIYRPXRBXIBBHI-BLVKFPJESA-N 422.367 4.160 0 1 HIAF COc1cc2c(cc1OC)[C@H](c1ccc(-n3cnc(C)c3)c(OC)c1)N(C)[C@@H](C)C2 962629846 QENPYTAYPDGSLE-FYSMJZIKSA-N 407.514 4.172 0 1 HIAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CF)(c2ccc(Cl)cc2)N1 962708403 ZASFTWNHLZELLX-DOTOQJQBSA-N 405.750 4.310 0 1 HIAF c1ccc([C@@H]2NCCc3nc4ccccn4c32)c(OCCCCN2CCCCC2)c1 962984389 DBAUSUOLVZRTMN-DEOSSOPVSA-N 404.558 4.214 0 1 HIAF CN1C(=O)C[C@H]2CN[C@](c3ccc(F)cc3)(c3cc(F)cc(F)c3)c3cccc1c32 963026739 KBYGIMQVHCPDCR-LFPIHBKWSA-N 408.423 4.449 0 1 HIAF COc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@]21NCCc2c(C(=O)O)cccc21 963128062 ZOLJSXFHMNZSSR-ILBGXUMGSA-N 401.462 4.307 0 1 HIAF Cc1cc2c(cc1O)[C@@](c1ccc(Cl)nc1)(c1c(C)cccc1C)N[C@H](C(=O)O)C2 963489835 IAHNOBVYRWQWRV-CYFREDJKSA-N 422.912 4.257 0 1 HIAF C[C@H]1C[C@H](C)CN(S(=O)(=O)Nc2ccc3c(c2)CCN3Cc2ccc(F)cc2)C1 1857558080 CMSGDSXKGDYZFN-IRXDYDNUSA-N 417.550 4.023 0 1 HIAF CN1c2ccc(F)cc2C(=O)N2CCn3c(cc4cc(OC(F)(F)F)ccc43)[C@@H]21 1857558790 DTUBSKIXTJYWOP-GOSISDBHSA-N 405.351 4.283 0 1 HIAF CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 1857627607 YYJHCHKMGNACEA-AWEZNQCLSA-N 402.443 4.019 0 1 HIAF CCN(CCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1 1857642824 HSRSXFHBNCACPN-UHFFFAOYSA-N 400.544 4.383 0 1 HIAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356286633 JOJOTOFFEPJKEF-XUVXKRRUSA-N 417.557 4.488 0 1 HIAF COC(=O)CCC=CCC[C@@H]1C(=O)C[C@H](O)[C@@H]1C=CC[C@](C)(O)C=CC1=CCCC1 2356344143 ZZVPHCPLTZTOBC-UPPNCUKMSA-N 416.558 4.206 0 1 HIAF CCCCC[C@@H](C[C@@H](CCc1ccc(OC)c(OC(C)=O)c1)OC(C)=O)OC(C)=O 2356663203 XZMCSNNVVYNRPZ-LEWJYISDSA-N 422.518 4.387 0 1 HIAF CC=CC=CC=CC(=O)O[C@@H]1C=C2CO[C@H](OC)[C@]2(O)[C@]2(C)CCCC(C)(C)[C@H]12 2356759094 IQZCRLBNSYMYLI-YOUKPXGDSA-N 402.531 4.093 0 1 HIAF CC1CCN(C[C@@H](C)CNC(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1 4669085 APXGWYFIIASVAW-IBGZPJMESA-N 402.542 4.395 0 3 HIAF CC(=O)CCC[C@@H](NS(=O)(=O)CCC(Cl)(Cl)Cl)c1ccccc1 12472557 AJZOXYVKPBXNAC-CQSZACIVSA-N 400.755 4.167 0 3 HIAF COc1ccc(C2=Nn3c(nnc3-c3ccccc3F)SC2)cc1OCC1CC1 61949641 GQCVCBZNBVITSS-UHFFFAOYSA-N 410.474 4.240 0 3 HIAF CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCCN3CCCCCC3)cc21 3061162 KLRNHAKQGCNSLT-UHFFFAOYSA-N 423.582 4.424 0 1 HIAF Cc1c(C(=O)NCCC(C)C)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 4826913 IZROPAGHPXYOQP-HZPDHXFCSA-N 420.575 4.184 0 1 HIAF CCCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(C)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 40741616 AWJZAGZCZVPFAX-LIYPSYQPSA-N 409.570 4.175 0 1 HIAF c1ccc(CN2CCC[C@@H]2CNCCCN2CCC3(CC2)OCc2ccccc23)cc1 71281687 HKUDAVITUGUQGG-RUZDIDTESA-N 419.613 4.152 0 1 HIAF O=C(O)CS[C@@H](NCCNc1ccnc2cc(Cl)ccc12)c1ccccc1 72140815 GEDLYAZSEFSRFC-HXUWFJFHSA-N 401.919 4.406 0 1 HIAF CN1[C@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1CCC2(C)C 100521078 AMHPTVWBZSYFSS-PMPSAXMXSA-N 405.585 4.240 0 1 HIAF in-man CC(=O)Nc1cccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)c1 101075097 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CPVDODQBOGUINF-UHFFFAOYSA-N 411.393 4.406 0 1 HIAF COC(=O)c1cccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c12 587229594 IKFINOGJGZGXDK-UHFFFAOYSA-N 422.485 4.314 0 1 HIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587232742 BJTJEPBPWLVKBD-YUMQZZPRSA-N 405.808 4.138 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc(C)cc4C)c1)[C@@H](C2)C3=O 587430370 DTRSJPHKSHPIBI-YADARESESA-N 404.466 4.054 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccnn3C)cc1)CC2=O 587478781 SXTIWBSJSYXFTE-NRFANRHFSA-N 406.438 4.004 0 1 HIAF Nc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587512599 ZLNHIDNXFPLCCC-SANMLTNESA-N 410.473 4.183 0 1 HIAF Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nn2)cc1 587583352 VLPWSXKYPWIBPQ-QPPBQGQZSA-N 413.433 4.043 0 1 HIAF Cc1nc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)no1 587587727 PPUAARZLNUURRB-KNQAVFIVSA-N 400.390 4.454 0 1 HIAF C[C@@]1(c2ccc(N3CCCC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594221 MBQRYAGDAANRRN-DHLKQENFSA-N 415.445 4.396 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1(C(=O)O)CC1 587612824 WSPVHNITUGIRCB-CYFREDJKSA-N 402.402 4.114 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Br)N1 587678456 CMPKBJHSHSOSKB-CLAHSXSESA-N 400.089 4.369 0 1 HIAF COC(=O)C[C@@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726922 MDMQDFUEYNKYAD-WLRWDXFRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3ccnc3)cc2)N1 587752804 GFHYZYOMZRQSNB-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF Cc1ccc(CNC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587753636 HQVXCYQBDCADPX-SZNDQCEHSA-N 419.338 4.353 0 1 HIAF COc1nc(N2CCCC2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587766606 OGXDVLZXROFFRK-HXPMCKFVSA-N 420.326 4.216 0 1 HIAF CCOC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587793495 NCXUUQGJRRACAF-YUNKPMOVSA-N 422.294 4.154 0 1 HIAF COc1ccc([C@](C)(O)C[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587810538 SUPQANZGLLRUAU-WYAVIUHXSA-N 408.311 4.470 0 1 HIAF COc1ccc2c(c1OC)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587810600 TWFWPHOPIHTTRG-BIBXISHDSA-N 406.295 4.329 0 1 HIAF CC[C@@]1(Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)CC(=O)c2ccccc2C1 587959449 DYEQVVPDFVXNHY-VWLOTQADSA-N 414.509 4.086 0 1 HIAF COc1cccc(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3nc(C)no3)c3cnccc23)c1 653751725 PHXHRVNVCWJKBD-RTBURBONSA-N 400.438 4.344 0 1 HIAF CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(F)c(F)c4)ccc3n2)CC1 1857636240 XADFWAHUKYNHOL-UHFFFAOYSA-N 410.468 4.216 0 1 HIAF CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)C1 1857772507 KXZOOCOYSSYATR-OAQYLSRUSA-N 404.493 4.196 0 1 HIAF CC1=CC(=O)O[C@@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)[C@H](O)O[C@@H](C[C@@]1(C)O)[C@H]23 1911580738 NNTKRQBPHDYGJM-XGHXJUMJSA-N 418.574 4.276 0 1 HIAF CC[C@H](C)C(=O)O[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 1623089 PCZOHLXUXFIOCF-IHWMVUHBSA-N 404.547 4.196 0 1 HIAF CCCC[C@]1(CC)CS(=O)(=O)c2ccc(NO)cc2[C@@H](c2ccccc2)[C@H]1O 1890633 QLGASNJOKSCXCB-YPAWHYETSA-N 403.544 4.354 0 1 HIAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)cc1 4036800 FUYIUFXFFSABAU-ISKFKSNPSA-N 415.493 4.076 0 1 HIAF O=c1cc(-c2ccccc2)oc2ccc(OCCCCCN3CCC(O)CC3)cc12 13454314 OFMBGQSIBSOXBL-UHFFFAOYSA-N 407.510 4.466 0 1 HIAF CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@H]1O3 13474868 IFGIZQGZVWYBFG-HSZRJFAPSA-N 406.482 4.121 0 1 HIAF Cn1c(=O)c2cn(Cc3cccc4ccccc34)cc2n(CC2CCCCC2)c1=O 13603305 RRVZJQZIXRLYSE-UHFFFAOYSA-N 401.510 4.284 0 1 HIAF O=C(O)C[C@@](O)(CSCCCC/C=C/c1ccc(Cl)cc1Cl)C(=O)O 13758181 QIPBDFRVBPUFTR-NJELEJDNSA-N 407.315 4.201 0 1 HIAF CCCCOc1ccc2c(C(F)(F)F)c(OC)ccc2c1C(=O)N(C)CC(=O)O 13823572 WZHDUAUJRKFZFY-UHFFFAOYSA-N 413.392 4.203 0 1 HIAF C[C@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 26297066 XQBHGEPYNJQCEE-HXUWFJFHSA-N 406.551 4.403 0 1 HIAF C[C@@H]([C@H](c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C 28331455 RSDPLFJFCIEHAP-FDDCHVKYSA-N 422.573 4.069 0 1 HIAF CCC[C@@H]1OC(=O)[C@@H](C)[C@@H]2CC[C@H](C[C@@H](C)OC(=O)[C@@H](C)[C@H]3CC[C@H](O3)[C@H]1C)O2 38334267 TUEIVMZOUQSYJA-XFHAOOBSSA-N 410.551 4.037 0 1 HIAF O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)NC1CCCCC1 45498578 DIGPGAQNZZWPSG-UHFFFAOYSA-N 402.549 4.257 0 1 HIAF O=C(NCc1cccc(OC(F)(F)F)c1)c1c[nH]c2cc(-c3cn[nH]c3)ccc12 73165672 UVPHWUGLYSWARJ-UHFFFAOYSA-N 400.360 4.387 0 1 HIAF C[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82206929 ASHZDRHXWHXUBL-KRWDZBQOSA-N 418.541 4.018 0 1 HIAF Cc1ccc([C@H]2COc3cccc4c(=O)c(C(=O)NC5CCCCC5)cn2c34)cc1 95555710 MUXBVIPYURGQBT-OAQYLSRUSA-N 402.494 4.354 0 1 HIAF Cc1onc(NC(=O)N2CCN(c3nc(-c4ccc(F)cc4F)cs3)CC2)c1C 95583455 MOGCJIDLSGDETB-UHFFFAOYSA-N 419.457 4.047 0 1 HIAF Fc1cnc(OC2CN(c3ccc4ccccc4n3)C2)c(N2CCC(F)(F)CC2)c1 96168862 GJIOYKHTZFWXEX-UHFFFAOYSA-N 414.431 4.272 0 1 HIAF O=C(c1ccccc1)c1cc(S(=O)(=O)c2ccccc2)c(=O)[nH]c1-c1ccccc1 103274668 NWLLXYZNVRLDHH-UHFFFAOYSA-N 415.470 4.106 0 1 HIAF O=C(Nc1ccccc1)N1CCN([C@@H]2CCc3cc(Br)ccc3C2)CC1 150193326 VXFLVCDHOJNDPJ-HXUWFJFHSA-N 414.347 4.156 0 1 HIAF CCCc1ccc(C(=O)O[C@H]2C[C@@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 169349973 BFOZFDBTKQXEJT-XHKPYQQISA-N 412.526 4.223 0 1 HIAF CC1=N[C@]2(C[C@@]3(CCCOC3)Oc3ccc(-c4ccc(F)c(Cl)c4)cc32)N=C1N 169708636 AMESWUXBYLEHJV-FGZHOGPDSA-N 413.880 4.462 0 1 HIAF O=Nc1c([C@@H]2C(=O)Nc3c(Br)cccc32)[nH]c2ccc(C(=O)O)cc12 169729513 ZVQKIVSQCORITQ-GFCCVEGCSA-N 400.188 4.111 0 1 HIAF COC(=O)CC/C=C/CC[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C\C[C@](C)(O)/C=C/C1=CCCC1 261193333 ZZVPHCPLTZTOBC-OQDFUZRDSA-N 416.558 4.206 0 1 HIAF in-vitro Clc1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2nc1Cl 586969541 MAGRGGBBPHPUQB-UHFFFAOYSA-N 422.253 4.336 0 1 HIAF O=C(O)c1cc(Br)cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077222 RYBCSUXXKLWONP-AWEZNQCLSA-N 420.650 4.294 0 1 HIAF COc1ccc(C(=O)c2ccccc2-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1F 587143689 DREPIUMDCBEQCL-UHFFFAOYSA-N 402.385 4.191 0 1 HIAF Nc1ccc2oc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc2c1 587251675 LBXYFQFXGMOKMC-UHFFFAOYSA-N 408.053 4.478 0 1 HIAF O=C(c1ccsc1Br)c1c(CO)oc2cc(Br)cnc12 587275838 GPGQOPDIKPNEAC-UHFFFAOYSA-N 417.078 4.138 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3NCCc4cccc2c43)[C@@H]1c1ccc(F)cc1 587346574 JLNIECWKWJTOGD-XRODADMRSA-N 401.437 4.376 0 1 HIAF O=C(O)c1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352066 LPRCJBJYBOWHQR-QPPBQGQZSA-N 404.393 4.430 0 1 HIAF CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522409 LRLYWMFFBQEAAZ-DEOSSOPVSA-N 410.466 4.308 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2=O)cc1 587598186 XAFUNGJHUKRVBP-ZJSXRUAMSA-N 401.418 4.222 0 1 HIAF CC[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609513 NETOJSYJGIAMFV-XUZZJYLKSA-N 404.418 4.431 0 1 HIAF COc1cccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587739130 FZHMJNBGAUMZCM-QFCBTEGWSA-N 419.338 4.450 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCOCC2)N1 587769897 BRZZSYMIYCVHAL-RBZFPXEDSA-N 405.311 4.048 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccccc3c2=O)N1 587776829 DWMHIOXKJYCCFV-YBTHPKLGSA-N 401.279 4.227 0 1 HIAF COc1cc(OC)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587808177 PLIPVKGYYWZQCJ-BIBXISHDSA-N 424.310 4.412 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3nncn3C)o2)N1 587845306 QHZIOANUMKXXTA-ABKXIKBNSA-N 423.311 4.085 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C(F)(F)F)n[nH]1 587865320 UQZXJNISIBOMKM-UHFFFAOYSA-N 418.297 4.398 0 1 HIAF COc1cc2c(cc1OC)[C@](CC(=O)C(F)F)(c1ccc(C)s1)N(C)[C@H](C)C2 962630996 IWPPBQKIGYLKOD-XUSGNXJCSA-N 409.498 4.418 0 1 HIAF C[C@@]1(Cc2c[nH]c3cccc(F)c23)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975154 XRDJAQXAOWDUSD-QRWLVFNGSA-N 408.807 4.295 0 1 HIAF Cc1ccnc2c1c([C@@H]1N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c31)cn2C 963183083 SFFLCJDWVHEXSR-DYVFJYSZSA-N 423.822 4.242 0 1 HIAF COc1cc(NC(=O)Nc2cc(Nc3ccc(OC)c(C)c3)ncn2)cc(OC)c1 1857573042 ABQKEFWRONTLHL-UHFFFAOYSA-N 409.446 4.198 0 1 HIAF COc1ccc(N[C@@H]2CCCN(C(=O)COc3ccc(Cl)cc3C)C2)cc1OC 15068465 UJEUFJHJJLPGJG-GOSISDBHSA-N 418.921 4.148 0 3 HIAF Cc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12 101794131 BWJKTBFOAQMNBT-UHFFFAOYSA-N 417.490 4.131 0 3 HIAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccs2)[C@H]1c1c[nH]c2ccccc12 2469370 SVBYHUAIIYTCBM-FGZHOGPDSA-N 415.518 4.456 0 1 HIAF C[C@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 2724677 DWHUBGUDTXXJRT-QMHKHESXSA-N 404.441 4.163 0 1 HIAF CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc1 4053047 SHANLFTULBQYEI-GMAHTHKFSA-N 404.466 4.129 0 1 HIAF Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)nc1 4793583 YJAARKINEPWQCR-BJKOFHAPSA-N 424.504 4.431 0 1 HIAF CNc1cccc([C@H]2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1 26175772 JZDXQXQFWMXKGG-JOCHJYFZSA-N 410.495 4.257 0 1 HIAF Cc1ccc([C@@H]2CCCC[C@@H]2N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 28566615 DBRILGNGHLWVTH-ZEQRLZLVSA-N 403.570 4.450 0 1 HIAF CN(C)Cc1cc(NS(C)(=O)=O)ccc1Sc1ccc(C(F)(F)F)cc1 40411331 DKXQXLBXXKLLSH-UHFFFAOYSA-N 404.479 4.290 0 1 HIAF CCOC1CN(C(=O)c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccccc2C)O3)C1 49110120 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CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@@]32O)C1 118916804 WJOGTCZNZPHODB-YUMMKZRDSA-N 416.558 4.175 0 1 HIAF CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(-c3ccccc3)nc12 136833964 ZEAWTFVUEKDYDK-UHFFFAOYSA-N 413.460 4.190 0 1 HIAF O=C(O)CCCOc1cc(-c2cn[nH]c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144867842 JKULIROOSGYKDI-HXUWFJFHSA-N 418.371 4.099 0 1 HIAF CSc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1 169351237 SAMMCBWSNUJQFF-DEOSSOPVSA-N 424.566 4.216 0 1 HIAF COc1cc(F)ccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)ccc12 225050476 HMOWAEVQRMGUHV-UHFFFAOYSA-N 415.471 4.307 0 1 HIAF CC[C@@H]1CCCCN1c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 299881449 OAIZSJRQHJEGMJ-VQIMIIECSA-N 413.522 4.032 0 1 HIAF FC(F)(F)c1ncc2nc(COc3ccc(Cl)cc3Br)nc-2[nH]1 586977702 QQCFNXRDMOCDJD-UHFFFAOYSA-N 407.577 4.318 0 1 HIAF CCOC(=O)Cc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587012192 HIKNLIWISXLPLP-UHFFFAOYSA-N 406.305 4.432 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)C[C@@H]2CCCC[C@H]21 587024945 CXZYWWWORQVKBJ-BKTGTZMESA-N 421.526 4.281 0 1 HIAF Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587182136 LUHIMTYUMYWFIC-ZCFIWIBFSA-N 422.604 4.213 0 1 HIAF CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C12CCOCC2 587356080 HXEFEZTUIMCFCT-PQNGQFLHSA-N 412.457 4.235 0 1 HIAF Oc1nc(O)c2ccc(-c3c(O)nc4ccc(F)cc4c3-c3ccc(F)cc3)nc2n1 587369338 GDVIELWAARYDNU-UHFFFAOYSA-N 418.359 4.302 0 1 HIAF CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417586 CKLHENRNWNEEFZ-PNCHPQGNSA-N 414.885 4.277 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](C(=O)Cc1cccc(Br)c1)CC2=O 587459566 YBVFAONQWUEIQO-IBGZPJMESA-N 403.272 4.253 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)C(F)F)cc1)CC2=O 587466146 MDSISWSHAWENEP-FQEVSTJZSA-N 410.438 4.222 0 1 HIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CN(C(=O)OCc3ccccc3)C2)C1 587474802 JXSPFQJFLPTSQB-UHFFFAOYSA-N 421.493 4.481 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(N3C(=O)c4ccccc4C3=O)c2c1 587651237 PDBIZZLWOUPFQM-UHFFFAOYSA-N 416.458 4.039 0 1 HIAF O=C(c1cc(Br)co1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656114 AYJXKWRPLBMJBF-UHFFFAOYSA-N 413.202 4.247 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587756067 JXQNPDQLYQQNEZ-ADLMAVQZSA-N 409.347 4.135 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCC(=O)O)c2)N1 587791358 HRTLAONDXIIRGD-WLRWDXFRSA-N 408.267 4.065 0 1 HIAF COC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587808584 OODKYLNWWZKYMD-SAZGQGMLSA-N 418.306 4.101 0 1 HIAF NC(=O)N1CCc2sccc2[C@@H]1c1ccccc1OCCCCN1CCCCC1 962711681 SRYJKJNRBPIROM-QFIPXVFZSA-N 413.587 4.419 0 1 HIAF CC(C)(C)OC(=O)N[C@H]([C@@H]1CCCOC1)[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963107148 WTXZAASXQPGUNY-ZQYQINFJSA-N 404.526 4.207 0 1 HIAF C[C@H](NC(=O)C1CC1)c1ccc(CN2CCc3cc(OCC(F)F)ccc3C2)cc1 1772573171 VVDXIENLGSAKEJ-INIZCTEOSA-N 414.496 4.476 0 1 HIAF COc1ccc(NC(=O)C2CCN(c3nccc4scnc34)CC2)cc1Cl 1857599841 WHQGLOOYIAXUHO-UHFFFAOYSA-N 402.907 4.208 0 1 HIAF COCCN(Cc1cc2cc3c(cc2nc1Cl)OCO3)C(=O)c1cccc(C)c1 4881192 JXFIMSYXEGSAFM-UHFFFAOYSA-N 412.873 4.214 0 3 HIAF Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)sc(=O)n1Cc1ccccc1F 61906287 JHYOIQFGJXWBQK-UHFFFAOYSA-N 424.419 4.354 0 3 HIAF C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCCCC2)S3)[C@@H]1C 4708877 KBBJJNFHPXWHTL-ZXHZAXBBSA-N 401.576 4.097 0 1 HIAF CC[C@@H](C)C(=O)O[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 6001653 PCZOHLXUXFIOCF-FRULIRGUSA-N 404.547 4.196 0 1 HIAF Cc1c(C(=O)NCCCN2CCCCCC2)oc2ccc3nc(N(C)C)sc3c12 6876758 OXCMXTNGRMTDOE-UHFFFAOYSA-N 414.575 4.413 0 1 HIAF COC[C@H](C)Nc1nccc(N(C(=O)NC2CCCCC2)c2ccc(OC)cc2)n1 40566141 ZRBYNRPHVTZHRB-INIZCTEOSA-N 413.522 4.112 0 1 HIAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccncc2)c2ccccc12 58538302 KZEMAJLBMYRJAB-GOSISDBHSA-N 409.493 4.043 0 1 HIAF CCCCNc1ncc(C(=O)N2CCOCC2)c(-c2ccc(-c3ccccc3)cc2)n1 82159010 NAWQOLBADUDQSL-UHFFFAOYSA-N 416.525 4.495 0 1 HIAF CC[C@@H](C)Nc1ncc(C(=O)NCCOC)c(-c2ccc(-c3ccccc3)cc2)n1 82159411 KKAIBLGGNZZDKO-QGZVFWFLSA-N 404.514 4.397 0 1 HIAF CC(=O)c1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1 113382492 QXWGKXZLGSMBSS-UHFFFAOYSA-N 423.480 4.305 0 1 HIAF CC(C)CC(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167023117 WCMQLJKBMNEQBG-UHFFFAOYSA-N 404.514 4.291 0 1 HIAF O=C(O)CCCNC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 169333660 KZJKYCSUHLQNHF-UHFFFAOYSA-N 416.477 4.052 0 1 HIAF CN(C)CCCn1c(/C=C/c2ccccc2Br)nc2ccccc2c1=O 299857553 FLOAHCKGSFPDAX-OUKQBFOZSA-N 412.331 4.281 0 1 HIAF Cc1ccc(NC(=O)c2ccc(F)cc2)cc1C(=O)Nc1ccc(-c2ncc[nH]2)nc1 299862390 JOSQVYQDGDGTOB-UHFFFAOYSA-N 415.428 4.424 0 1 HIAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)cc(C)c3[nH]2)cc1 586940761 FMBIOBCPCBALPP-FPLPWBNLSA-N 420.332 4.033 0 1 HIAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(F)c2[nH]1 586984720 UFBVPNMBNXTCJW-NSHDSACASA-N 413.088 4.470 0 1 HIAF COc1ccc(N)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1OC 587332296 FXSIVEBBTFYQQM-HYBUGGRVSA-N 423.440 4.405 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(Cc1cccc(F)c1)CC2=O 587465533 FLRODOKARCMCQJ-QHCPKHFHSA-N 400.446 4.384 0 1 HIAF Nc1cccc2c1C(=O)c1cccc(N)c1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511766 RXFIMZFKBFICAO-AREMUKBSSA-N 410.473 4.183 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CCC2=O 587562250 TVEOVVSPPLMXMI-MDFKHGOCSA-N 405.498 4.187 0 1 HIAF CC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nc1C 587587954 OVWBXDGTZAHWTR-URXFXBBRSA-N 403.434 4.484 0 1 HIAF Cc1ccc([C@@]2(c3nccn3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587757070 URGLQVPSNKURBZ-SPLOXXLWSA-N 414.322 4.456 0 1 HIAF COc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587758002 WNJUMHDHJRMYSS-FKIZINRSSA-N 416.294 4.406 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)cc3c2N(C)CCC3)N1 587768392 UZZSLLQPCRLRSQ-YUNKPMOVSA-N 417.322 4.407 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O[C@H](C)C(=O)O)cc2)N1 587789784 DLLTYRHGPJOWBL-FKANQGBASA-N 422.294 4.238 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)s2)N1 587851841 CVMSMZARHDMGMH-PWCHPLFNSA-N 406.118 4.431 0 1 HIAF COc1ccc2cc([C@@H](C)c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)ccc2c1 587934701 MPLOKDBIOJEBBZ-CQSZACIVSA-N 409.511 4.127 0 1 HIAF CCOC(=O)[C@@]1(C2CCCC2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962637650 OSOANMZRTFDLDT-ZEQKJWHPSA-N 404.554 4.382 0 1 HIAF CN1CCc2c(Br)cccc2[C@H]1c1ccnc(Br)c1F 963280658 OITXWKPKPSLIIS-AWEZNQCLSA-N 400.089 4.323 0 1 HIAF COc1ccc2c(c1)[C@](C(=O)O)(c1ccc(F)cc1)N(Cc1ccc(F)cc1)CC2 963304187 RWCXBFNCUHLGBK-DEOSSOPVSA-N 409.432 4.360 0 1 HIAF Cc1c(C(=O)N2CCCn3nc(C(=O)Nc4ccccc4)cc3C2)oc2ccccc12 1772609955 AICHXHNRYQGIHK-UHFFFAOYSA-N 414.465 4.236 0 1 HIAF Fc1cc(CN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)ccc1C(F)(F)F 1772653122 DQTMKPXYLBIZJN-UHFFFAOYSA-N 418.398 4.143 0 1 HIAF COC(=O)c1ccc(F)c(F)c1N(C)c1ccc(I)cc1F 1857637876 HRNKAZVITQLUPP-UHFFFAOYSA-N 421.156 4.263 0 1 HIAF O=C(NCCCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccccc1 1911583230 MBEOKTTWXVWRIU-UHFFFAOYSA-N 422.598 4.409 0 1 HIAF O=C(O)C[C@@H]1CCN(CCCc2ccccc2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356302731 WBSKAKMINJHGJA-RBUKOAKNSA-N 409.505 4.290 0 1 HIAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNC(=O)C4CCC4)C=C3C)[nH]c2n1 2356308991 QGCHJERVPCMWEO-GBESFXJTSA-N 410.562 4.280 0 1 HIAF COc1ccc([C@H]2C=CCN(C(=O)CC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 18118011 SFUWUQOIWQLLBM-HSZRJFAPSA-N 424.516 4.349 0 3 HIAF O=C(Nc1ccncc1)c1cc([C@@H]2CCCCN2C(=O)CCCc2ccccc2)on1 61925680 VGRYRTAWBFQZNP-NRFANRHFSA-N 418.497 4.398 0 3 HIAF COC(=O)[C@@H](Cc1ccccc1)N[C@H](/C=C/c1ccccc1)[C@@H](O)Cc1ccccc1 199724500 LRPGTCSQZXEBNA-OTEXFMCNSA-N 415.533 4.046 0 3 HIAF COC(=O)[C@@H](N[C@H](/C=C/c1ccccc1)[C@@H](O)Cc1ccccc1)c1ccccc1 199724573 NNAKSHQLCMWDMP-PUJACUBLSA-N 401.506 4.176 0 3 HIAF Cc1c(C(=O)NC2CCCC2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc12 4826894 XVKVZJRZDGREIP-GASCZTMLSA-N 418.559 4.080 0 1 HIAF CN(C)c1ccc(-c2cc(=O)c3ccc(OCCCCN4CCOCC4)cc3o2)cc1 103240569 BYOLJIIINISJDP-UHFFFAOYSA-N 422.525 4.017 0 1 HIAF C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cccc(O)c3)CC[C@@H]12 26962261 NOUYCYGNOBPMES-IEFWHFDDSA-N 408.542 4.244 0 1 HIAF CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2)CC[C@@H](N(C)C)C1 60325921 VFIXEEIIZUMLIG-OAHLLOKOSA-N 400.569 4.019 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(CCCN1CCN(c3ccccc3C)CC1)OCC2 27889911 WVPOXCPHZNQYBO-SANMLTNESA-N 424.585 4.403 0 1 HIAF CC(C)Cc1sc(-n2cccc2)nc1C(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 2356762137 BVVXSEBNLYUYSI-ROUUACIJSA-N 400.592 4.127 0 1 HIAF CCOC(=O)N1CCC(Nc2nc3cc(F)ccc3n2Cc2ccc(F)cc2)CC1 29568599 HDJRUHKAVJPHKQ-UHFFFAOYSA-N 414.456 4.396 0 1 HIAF CC(C)=CCc1ccc2c(c1O)C(=O)c1c(O)cc(C)c3c1[C@@H](O2)[C@H](C(C)(C)O)CO3 3652684 MYJGUMZTENHAAQ-MYYSRTQBSA-N 424.493 4.359 0 3 HIAF biogenic,in-vitro C[C@H]([C@H]1C[C@@H]1C(=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 43640913 SPBCVLSZAPVLJN-PXLXNACCSA-N 404.591 4.334 0 1 HIAF CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4Br)ccc3N(C)[C@@H]12 49033421 GWJRBLHWCRSZMO-QUCCMNQESA-N 416.319 4.429 0 1 HIAF CC(C)c1cccc([C@H]2CNC[C@@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49054753 BNZWVFLAIKWMBC-MOPGFXCFSA-N 409.917 4.247 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@H](C)[C@H]2OC 140317297 GTLDKOQJGKMQIA-JOOBJXAISA-N 416.470 4.330 0 1 HIAF O=C(O)Cn1c2c(c3cc(F)cc(Cl)c31)CN(C(=O)c1cccc(Cl)c1)CC2 96271035 PVCHZSUUQQWRNF-UHFFFAOYSA-N 421.255 4.370 0 1 HIAF CC(C)[C@H](CS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O 95567271 UELNISCINDEYPN-KRWDZBQOSA-N 411.317 4.247 0 1 HIAF CN(Cc1cn(CCCCF)nn1)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 473152888 WSVMRRHMKDJGMI-UHFFFAOYSA-N 412.296 4.220 0 1 HIAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O 587807845 OBQMAIQWLMCWRB-DGIBIBHMSA-N 408.267 4.146 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598817 VKEOQLSHLIJQDC-HYBUGGRVSA-N 404.418 4.121 0 1 HIAF Cc1ccnc2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc12 587092822 ZLGQEPQKAFIOLL-UHFFFAOYSA-N 414.428 4.071 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580928 TVZJTPFQFUZVQM-PNCHPQGNSA-N 411.454 4.170 0 1 HIAF COC(=O)[C@H](c1ccc(Cl)cc1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1 587368392 JHOATNSGWIPPPB-QGZVFWFLSA-N 421.840 4.061 0 1 HIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C)c(Br)cc2[nH]1)C(C)C 586933488 SSUOULKWYGWSBX-OAHLLOKOSA-N 402.358 4.050 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccccn2)nc2c1CCC2 587871668 MPSKGIMIYXKINA-UHFFFAOYSA-N 401.445 4.418 0 1 HIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccnc(Br)c2[nH]1 587198003 CZMIPWCZNLYUDP-UHFFFAOYSA-N 422.286 4.246 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(cc2Cl)OCCO3)N1 587702412 ZIGPPFCNHOQWKT-AYVTZFPOSA-N 413.674 4.031 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C(=O)OC(C)(C)C)c2)N1 587762135 XGHOXNVFYZCPOS-QLJPJBMISA-N 410.287 4.192 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c(O)nc2-c2ccccc2)N1 587793649 SAVJRLUPSXIULD-BTDLBPIBSA-N 402.267 4.308 0 1 HIAF O=C(O)/C=C/C1=COc2ccc(F)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587510948 ZGBPGZYODYEQFX-VXFXUCHBSA-N 406.409 4.482 0 1 HIAF NC(=O)Nc1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587241720 GWWVXLVDEFBZSY-UHFFFAOYSA-N 415.169 4.382 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CC2=O 587487820 OGIKRBIWTZGFFA-KFOHMRLHSA-N 401.503 4.326 0 1 HIAF Cc1ccc2oc(N)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587749036 ZVFOJKIILXVVAA-XTZNXHDOSA-N 417.278 4.209 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381712 JZXPMDSSGXUASA-FQEVSTJZSA-N 407.388 4.410 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606788 DPNCDUVCIZEWSP-ZJSXRUAMSA-N 404.418 4.431 0 1 HIAF COC(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1OC 587226860 VHQVISBUCLUMKP-HNNXBMFYSA-N 403.479 4.114 0 1 HIAF Cc1cc2c(cc1O)[C@H](c1ccc(OCc3ccccc3)cc1F)N[C@H](C(=O)O)C2 963475059 ZRKBUYQSULJEOT-GMAHTHKFSA-N 407.441 4.107 0 1 HIAF CCCCC[C@H](C[C@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21)NC(=O)OC(C)(C)C 963492075 PWWGPSNHAVYOPX-KURKYZTESA-N 420.550 4.204 0 1 HIAF Fc1ccc(OC(F)(F)F)cc1-c1ccc2c(c1)CC[C@H](CCc1nn[nH]n1)O2 1772640304 NWLSSYVWXFGZOF-CYBMUJFWSA-N 408.355 4.231 0 1 HIAF O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccc(C(F)F)cc1 1772637793 GCQLNUHXJBJHGL-PWRODBHTSA-N 418.459 4.258 0 1 HIAF C[C@H](c1ccc(Cl)c(Cl)c1)N1CCn2nc(C(=O)N3CCCCC3)cc2C1=O 1772590324 GIEHGPWCLJJPCI-CYBMUJFWSA-N 421.328 4.033 0 1 HIAF COc1ccc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)cc2)nc1 1772604685 RLYYNFWDNJPCHL-UHFFFAOYSA-N 420.900 4.312 0 1 HIAF Cc1ccc(C(=O)N[C@H]2CCOC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169700056 QGCZJCLYDBEEPE-NRFANRHFSA-N 415.493 4.077 0 1 HIAF CCNc1nc(Nc2cc(F)c(-c3nnc(C)o3)cc2OC)ncc1C(F)(F)F 169704346 IRVAJQJHJHEDGG-UHFFFAOYSA-N 412.347 4.177 0 1 HIAF COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCCCN1C[C@H](C)O[C@@H](C)C1 1857572796 GUHIQNZDIVLZBP-NYJQUMRFSA-N 422.525 4.066 0 1 HIAF O=C(O)[C@@H]1C[C@@H]1COc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cn2)cn1 1857584174 JKCCOSPNBZCSBI-GDBMZVCRSA-N 420.856 4.440 0 1 HIAF CC(C)(O)Cn1c(NC(=O)c2cc(F)cc(-c3cccnc3)c2)nc2ccccc21 1857619125 DJZWMTBYRCKZMQ-UHFFFAOYSA-N 404.445 4.261 0 1 HIAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)cc1OC 4296345 GSWSEPRDKHHWIK-PZJWPPBQSA-N 416.905 4.365 0 1 HIAF CCOC(=O)N(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 103207348 KEKQHVFFWSJBKE-UHFFFAOYSA-N 416.302 4.497 0 1 HIAF COC(=O)c1cccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)c1 101075399 MYWSNORTSDHHBT-UHFFFAOYSA-N 407.491 4.066 0 1 HIAF CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 103296808 KMXYLNLVWRXFBA-MRXNPFEDSA-N 405.170 4.446 0 1 HIAF COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)/C(=C/C(C)(C)OC(C)=O)C(=O)O2 59730079 SEEMOEHWVXEBAV-QINSGFPZSA-N 420.417 4.113 0 1 HIAF O=C(NCCCC1CCN(C[C@@H]2COc3ccccc3O2)CC1)Nc1ccccc1 27197634 ZLOMGHVTJDXSST-OAQYLSRUSA-N 409.530 4.140 0 1 HIAF Cc1ccc(NC(=O)N2CCOc3cc(Oc4ncnc5[nH]ccc45)ccc32)cc1 29134144 DLDOXZCZZRNZNZ-UHFFFAOYSA-N 401.426 4.490 0 1 HIAF CCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 29552608 QFSCWFIQHIDETA-UHFFFAOYSA-N 415.559 4.482 0 1 HIAF O=c1n(-c2ccc3c(c2)CN2CCC3(c3ccc(Cl)cc3)CC2)nc2ccccn12 114346470 OCDDZWTUNAXZEY-UHFFFAOYSA-N 416.912 4.034 0 1 HIAF O=C1CS[C@@H](c2c(Br)cccc2Br)N1c1ccccn1 40835143 NYUBQHFTOCHKFG-AWEZNQCLSA-N 414.122 4.385 0 1 HIAF c1ccc(Cn2ccc3c(NC4CCN(Cc5cscn5)CC4)ncnc32)cc1 84615145 JJYCTUBJOTUGHQ-UHFFFAOYSA-N 404.543 4.013 0 1 HIAF Oc1ccc2c(c1)C[C@H]1[C@@H](CCCN1CCCCN1CCN(c3ccccc3)CC1)C2 40847069 KKEATGXCXUWNJJ-HOFKKMOUSA-N 419.613 4.174 0 1 HIAF Cc1cc(Cl)cc(C(=O)NC(C)C)c1NC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 84707784 YHLUKYJCISNQGS-GOSISDBHSA-N 417.868 4.057 0 1 HIAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2ccc3ncccc3c2)cc1 142288437 IKAMYJCLMWXSAO-LFYBBSHMSA-N 415.474 4.115 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccc(Cl)cc2)cc1 653780444 FEXBXMJXXABDQF-GOSISDBHSA-N 417.943 4.405 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccccc3c2O)N1 587776206 BWFVCKJPDDOFKC-WVDJIFEKSA-N 417.278 4.345 0 1 HIAF CCOC(=O)c1cnn(-c2ccc(-c3nc4nccc(C)c4[nH]3)cc2)c1C(F)(F)F 587115123 OILDIFPZSNCUDT-UHFFFAOYSA-N 415.375 4.315 0 1 HIAF COc1cc2c3c(c1)O[C@@](CCN(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587420572 XWMIVUAYHDXMLN-UWJYYQICSA-N 416.315 4.052 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)OCC)c(OC)c1)CC2=O 587476656 ABWQTCCCEQMCQC-FQEVSTJZSA-N 414.454 4.002 0 1 HIAF C[C@@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129296 WHDXTRYHKKKUHV-LURJTMIESA-N 424.807 4.301 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3cccc(F)n3)CC2)N1 587738892 ROVPUDHQRLWBQU-LBPRGKRZSA-N 408.290 4.152 0 1 HIAF C[C@]1(c2ccc3nc(N)sc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616975 IFJQGHPYEYLJHR-PGRDOPGGSA-N 404.447 4.461 0 1 HIAF Oc1nc2cc3[nH]c(-c4ccc(C(F)(F)F)nc4OCC(F)(F)F)nc3cc2[nH]1 587092518 VGSXNZHWCPDRHZ-UHFFFAOYSA-N 417.269 4.167 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239435 KRIRQMMAWSSHKE-ZGLRSVDFSA-N 406.914 4.166 0 1 HIAF CC(C)CCn1cccc1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963138878 IOOXVIRTZGXGGR-IRXDYDNUSA-N 419.547 4.327 0 1 HIAF CSc1c2c(=O)n(C)c(=O)n(CC(C)C)c2cn1Cc1cccc2ccccc12 13603350 KYLFTHTUDDZHBT-UHFFFAOYSA-N 407.539 4.081 0 1 HIAF CNc1nc(Nc2cc(OC)c(-c3ccnn3C)cc2Cl)ncc1C(F)(F)F 169704345 IKVNMJWGLXDDBU-UHFFFAOYSA-N 412.803 4.343 0 1 HIAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccnc(N2CC(O)C2)n1 1857642657 LKWYBWALGXSDNM-UHFFFAOYSA-N 400.507 4.423 0 1 HIAF C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccc(N(C)C)cc3)n2)c1 1857755966 YGYNCQULQHGVGO-UHFFFAOYSA-N 417.473 4.055 0 1 HIAF CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@H](C(C)(C)O)O2 14585978 AVIZABGQXBMRCJ-SUMWQHHRSA-N 422.477 4.469 0 1 HIAF endogenous,in-man COc1cc(-c2oc3c(CC=C(C)C)c(OC)cc(O)c3c(=O)c2OC)ccc1O 14648329 PXSHTLGJABJXLY-UHFFFAOYSA-N 412.438 4.406 0 1 HIAF biogenic COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccccc3C)CC1)OCCC2 27737870 GOPHFZDLNMLKCA-QHCPKHFHSA-N 410.558 4.228 0 1 HIAF c1ccc(Cc2noc(-c3ccc(N4CCC(Oc5ccccc5)CC4)nn3)n2)cc1 28655416 ZGLPQRSDHLPYMT-UHFFFAOYSA-N 413.481 4.165 0 1 HIAF COc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(OC)c(Cl)c3)n2C)cc1 29125306 ZUUVOUGWQUFYMK-ATJXCDBQSA-N 417.918 4.171 0 1 HIAF CN(Cc1ccccc1)c1cc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29131890 VEFMGCPKRDJLRY-UHFFFAOYSA-N 421.444 4.202 0 1 HIAF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CC(=O)O)c1=O 29213842 AWHBHIKDELNPMA-UHFFFAOYSA-N 417.248 4.171 0 1 HIAF CCc1ccc(S(=O)(=O)N[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C/C=C\CCCC(=O)O)cc1 29486157 INAJNNOQCHGZGL-NWIPUGKASA-N 405.560 4.143 0 1 HIAF CCN(CCCCCC(C)(F)F)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 39033714 KZBHMKHBZOKLAW-IBGZPJMESA-N 420.566 4.409 0 1 HIAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@@H]1CCCN1C3 68249193 ZZOJDGUYHDXOIO-IBGZPJMESA-N 411.505 4.418 0 1 HIAF CCCCCCN(C)c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 82067205 JTXPUXUBSONOBZ-IBGZPJMESA-N 415.538 4.280 0 1 HIAF CC(=O)N1C[C@H]2C[C@H]1CN2Cc1cc2cc(Oc3nc4ncccc4s3)ccc2o1 101656320 OEYRSZKDMZCBAE-CVEARBPZSA-N 420.494 4.035 0 1 HIAF Cc1ccccc1-n1ncc2c1C(C)(C)CCN(C1[C@@H]3CC4C[C@@H]1CC(O)(C4)C3)C2=O 101668467 MKPLGVXEMMRGTK-HYVWSRJXSA-N 419.569 4.244 0 1 HIAF O=C(O)c1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cc1 103241846 JSUIRJLRUPZRJL-UHFFFAOYSA-N 418.472 4.012 0 1 HIAF COc1ccc(CCCCc2cc(NCc3sc(C)nc3C)n3nccc3n2)nc1 114812613 VGMNDWIPJRWIHH-UHFFFAOYSA-N 422.558 4.384 0 1 HIAF COc1cc(-c2ccc(CNS(=O)(=O)c3cc4ccccc4[nH]3)cc2)ccc1O 203655663 BFPMTSFRNBFNLX-UHFFFAOYSA-N 408.479 4.028 0 1 HIAF Cc1ccc(N(CCO)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)cc1 299866355 ORBGUTWDZNLYOS-UHFFFAOYSA-N 401.470 4.273 0 1 HIAF C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCCC[C@H]1c1cccnc1 299886670 XPCVMHGRMJXVRE-BKXJXIQNSA-N 410.558 4.136 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016154 QCHKZIUQHYLDDM-UHFFFAOYSA-N 418.931 4.257 0 1 HIAF COc1cncc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587022463 YNYBAGPRAQZNCD-UHFFFAOYSA-N 400.467 4.896 0 1 HIAF COC(=O)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587102995 CGZROVDENGRSJZ-UHFFFAOYSA-N 422.440 4.414 0 1 HIAF CC(C)OC(=O)C1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC(F)(F)C1 587131541 MSHAZQPSEUPYCD-UHFFFAOYSA-N 400.429 4.013 0 1 HIAF CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)cc3[nH]2)CCC(=O)CC1 587236020 VQKCADFLDFPPBC-UHFFFAOYSA-N 408.296 4.189 0 1 HIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587258616 AFWHBJACQDXSJN-HNNXBMFYSA-N 424.398 4.427 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCOC)c(OC)c1)CC2=O 587481517 NADHBUPTYOZSKR-NRFANRHFSA-N 400.471 4.475 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccccc2F)c1 587566911 BVNNPDCZGKBDQE-NZQKXSOJSA-N 402.381 4.420 0 1 HIAF C[C@H](Oc1ccc2c(c1)OCO2)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613572 YMUHTPHMDBZFIM-XHCKBEORSA-N 420.417 4.309 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccco2)N1 587723195 VNGUZHFDQCUMDJ-XYZCENFISA-N 402.210 4.183 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(F)CN(C(=O)OC(C)(C)C)C2)N1 587723374 XHZODHOBXKWOHP-MEBBXXQBSA-N 417.294 4.123 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CN3CCOCC3)c2)N1 587775761 UUJSLNGDBXGLNQ-QKKBWIMNSA-N 419.338 4.044 0 1 HIAF COCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587796934 UNAPJLRLAGKUIY-MPBGBICISA-N 424.310 4.246 0 1 HIAF COC(=O)c1ccc(OC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587805489 GDWOSXDDGGWGSG-MLCYQJTMSA-N 408.267 4.007 0 1 HIAF CCCOc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867340 BRCXRQGEOFZFRY-UHFFFAOYSA-N 405.376 4.450 0 1 HIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587932695 YLWLMZGUUCCXNY-HJPURHCSSA-N 401.470 4.076 0 1 HIAF CN(C)CCOc1cccc([C@]2(C)c3ccsc3CCN2Cc2cccn2C)c1 962371704 HJRFQSJNKVLEKB-XMMPIXPASA-N 409.599 4.349 0 1 HIAF COc1ccc2nc([C@@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN34)[nH]c2c1 962639674 LQPGXZMXVZLYMR-NLFFAJNJSA-N 410.521 4.408 0 1 HIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 962955982 AUOIZPUMISFGHO-RDTXWAMCSA-N 424.234 4.350 0 1 HIAF COc1ccccc1CNC(=O)C[C@@]1(C)c2ccsc2CCN1Cc1cccnc1 963002653 CUCZFGYWADDYBH-DEOSSOPVSA-N 421.566 4.132 0 1 HIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CCC(N(C)C)CC3)c2cn1)c1ccccc1 1772589569 XGPKHEOYADHWTC-FAEJEUNOSA-N 421.549 4.125 0 1 HIAF CO[C@H]1CC[C@H](c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)c(F)c3)n2)C1 1772590180 XTXSEHNHNJBSAC-WMZOPIPTSA-N 420.488 4.077 0 1 HIAF Cc1ccc(NC(=O)N2C[C@H](N(C)c3ncnc4[nH]ccc34)C3(CC3)C2)cc1Cl 1857655169 QOGLFESXILBSFS-KRWDZBQOSA-N 410.909 4.052 0 1 HIAF CC(=O)Nc1ccc(SC[C@H](CC(C)C)N2CCN(CC(C)C)CCC2=O)cc1 13661737 PFYVDUSNYMLOLS-NRFANRHFSA-N 419.635 4.342 0 3 HIAF CCCN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2119591 HSOKUAPWFYDLKG-MZNJEOGPSA-N 421.928 4.263 0 1 HIAF biogenic CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc(-c2cccnc2)c1 8466472 FZIUEUCURKKNHE-UNMCSNQZSA-N 406.482 4.323 0 1 HIAF O=C(OCCCc1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 13441767 APUHVUOFPOQKOO-HXUWFJFHSA-N 421.946 4.059 0 1 HIAF O=C(O)CCCCCC[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13730282 ZYWROEIJJRJROC-QGZVFWFLSA-N 424.950 4.222 0 1 HIAF O=C(Nc1ccc(Cl)cc1)N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O 13732590 REOVDJIBQLUDPV-HXUWFJFHSA-N 422.847 4.416 0 1 HIAF COc1ccc(C(=O)c2ccc3c(-c4ccc(OCC(=O)O)cc4)noc(C)c2-3)cc1 28568988 NRKNFYMYBKIJNP-UHFFFAOYSA-N 417.417 4.458 0 1 HIAF CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)cn1 38467209 UOHNZPHAELANCA-UHFFFAOYSA-N 406.530 4.313 0 1 HIAF Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CC[C@@]1(CCc2ccccc21)O3 40934437 BNCOHUOAADWPNX-RUZDIDTESA-N 401.510 4.354 0 1 HIAF CCCSc1c(C(=O)N(C)C2CCCCC2)cnn1-c1ccc(C(=O)O)cc1 95580290 BICVKEYNPZYVKI-UHFFFAOYSA-N 401.532 4.477 0 1 HIAF O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ncccc2s1 96282793 HLBSBCNHYMLASJ-UHFFFAOYSA-N 408.504 4.059 0 1 HIAF C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1Cl 103249696 VRPBEXXAJILOFI-CYBMUJFWSA-N 415.900 4.384 0 1 HIAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)cc1Br 103538793 HFKVLRGUAIOKKK-MRXNPFEDSA-N 403.280 4.357 0 1 HIAF CCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 199713953 OGSOCIXLJNBSBS-OAQYLSRUSA-N 421.497 4.376 0 1 HIAF CN1CCN(c2ccc(Nc3ncc4ccn([C@@H]5C[C@H]6CC[C@H]5C6)c4n3)cc2)CC1 261070964 ACDIRSKTMRLXAX-NPPFBWRTSA-N 402.546 4.288 0 1 HIAF Cc1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879592 KYSCDKPUACRBPD-UHFFFAOYSA-N 408.435 4.150 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 586979684 UNLUDYZVMXCJCN-UHFFFAOYSA-N 401.047 4.481 0 1 HIAF CS(=O)(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587121752 GEXRJELNJHDVPT-UHFFFAOYSA-N 416.446 4.298 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)c(F)cc2[nH]1 587180019 BXOVYIWBZGXJNP-ZETCQYMHSA-N 402.186 4.280 0 1 HIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Br)ncc3[nH]2)c1 587239903 BBDWRYLGEINCCI-UHFFFAOYSA-N 405.252 4.440 0 1 HIAF O=C(O)CC[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337651 MFRIWGBUJOAGKK-GGAORHGYSA-N 407.397 4.046 0 1 HIAF C[C@]1(c2ccc3nc(O)[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344848 HMJKUNFNUZUQBE-NZQKXSOJSA-N 404.397 4.388 0 1 HIAF COC(=O)C1C[C@@H]2CC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354088 TXSGTSYBFGIURV-BVOCHNGXSA-N 410.441 4.238 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(C(C)(C)N1CCOCC1)O2 587378725 PGIXCKUECLUFEV-QHCPKHFHSA-N 414.933 4.202 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)CC1(CC3(CCN(C(=O)OCc4ccccc4)CC3)C1)O2 587402129 YTOMQYBQNOGWSX-UHFFFAOYSA-N 420.509 4.494 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554071 GULCTDWGRNJFNK-QFBILLFUSA-N 404.344 4.330 0 1 HIAF COc1ccccc1-n1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583042 SYLNQYCEYYFLIX-URXFXBBRSA-N 414.417 4.289 0 1 HIAF O=C(O)c1ccc(NC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587656797 PEJUVJNKKXAUGT-UHFFFAOYSA-N 421.359 4.120 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3cnn(C)c3)cs2)N1 587853262 LTLXYDGIKZOQTG-JDNHERCYSA-N 407.312 4.069 0 1 HIAF CCOC(=O)c1cc(OCC)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1OCC 587938006 PSKBGNJPDMUDDO-UHFFFAOYSA-N 424.453 4.212 0 1 HIAF C[C@@]1(c2ccc(F)cc2F)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182863 NTPCKNHDYITCGI-DYVFJYSZSA-N 405.750 4.499 0 1 HIAF Cc1ccc([C@@]2(Cc3ccncc3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963227069 MEXLCXMTZBFFQX-AOYPEHQESA-N 409.489 4.023 0 1 HIAF CC(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@H]2CCCC=C2Cl)c1O 1772654159 YZTWGOOOKQEBBO-LBPRGKRZSA-N 407.319 4.024 0 1 HIAF CN1CCN(C[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2)CC1 1857762569 NTRHVOKUNHBFDM-VWLOTQADSA-N 400.522 4.499 0 1 HIAF CC1=CC(=O)O[C@@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)[C@@H](O)O[C@@H](C[C@@]1(C)O)[C@H]23 1911580737 NNTKRQBPHDYGJM-IEPDGFCYSA-N 418.574 4.276 0 1 HIAF CCCCC[C@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(CO)c2C=C[C@H]1O 2356496323 UQFUUOPYXCPQFQ-FYYLOGMGSA-N 412.482 4.479 0 1 HIAF C[C@@H]1CC[C@]2(C)C(COC(=O)CC(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CCOC1=O 2356677051 FNONBYOWFSCKDW-OIBKDOCCSA-N 404.503 4.047 0 1 HIAF COc1ccc(C=C2OC(=O)[C@H](Cc3ccc(O)c(Cl)c3)[C@@]2(O)C(C)C)cc1 2356715236 RSVNZCJGMZWPMU-JTSKRJEESA-N 402.874 4.198 0 1 HIAF O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1csnn1)C1CCCC1 4965104 VWHMYYQNEMIYEA-HXUWFJFHSA-N 412.559 4.113 0 3 HIAF COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cc1 61907617 DBGZOMMXMPNJKB-DEOSSOPVSA-N 403.482 4.156 0 3 HIAF O=C(N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)C1C2CC3CC(C2)CC1C3 199717399 WISBSXVLCMMQDA-QKFMXRBCSA-N 414.977 4.410 0 3 HIAF COc1cc(Br)cc(-c2ncc(CN(C)Cc3ccccc3)[nH]2)c1OC 600612 NDIHRQSUWICICR-UHFFFAOYSA-N 416.319 4.488 0 1 HIAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCC2)[C@@H]1c1cn(C)c2ccccc12 2468763 YTNSPQYPXNHFGZ-GOTSBHOMSA-N 401.510 4.148 0 1 HIAF O=S(=O)(c1ccccc1Br)N1CCC2(C=Cc3ccccc32)CC1 13728202 HFROYAFEOGMZJD-UHFFFAOYSA-N 404.329 4.198 0 1 HIAF COc1ccc([C@H](c2ccc3c(c2)OCO3)[C@@H](C)[C@@H](C)COC(C)=O)cc1OC 15119352 IYHIDVFUEBFZJV-XAPDGSRCSA-N 400.471 4.400 0 1 HIAF biogenic C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@@H](CC(=O)NCc1ccco1)C2=O 28568701 NSHKXWHQUTUXRS-TUBNONHHSA-N 407.510 4.343 0 1 HIAF in-vivo O=C(CCC1CCN(Cc2ccccc2)CC1)c1cc2c3c(c1)CC(=O)N3CCC2 33988035 XXUHSYCMSYGREM-UHFFFAOYSA-N 402.538 4.397 0 1 HIAF O=C(Nc1cccnn1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 43202244 UJSAOACQBPITDM-UHFFFAOYSA-N 423.904 4.272 0 1 HIAF CCOc1ccc(CCNc2cc(-c3ccc(OC)c(OC)c3OC)ncn2)cc1 82167543 VRBVUXVKDCTRTC-UHFFFAOYSA-N 409.486 4.223 0 1 HIAF Fc1ccccc1CCNc1ncnc2c1nc(-c1ccoc1)n2C[C@@H]1CCCO1 82180742 YXSONHSKAMALQM-KRWDZBQOSA-N 407.449 4.059 0 1 HIAF Fc1ccc(CCNc2ncnc3c2nc(-c2ccccc2)n3C[C@@H]2CCCO2)cc1 82186981 JEJYKTRDHDGRKD-FQEVSTJZSA-N 417.488 4.466 0 1 HIAF C[C@H](CNc1ncnc2c1nc(C1CC1)n2CCN1CCCCC1)c1ccccc1 82188853 QJZRMTVKZOANRG-GOSISDBHSA-N 404.562 4.405 0 1 HIAF CCOc1ccc2cc(-c3nn(C[C@H](C(C)C)N(C)C)c4ncnc(N)c34)ccc2c1 84689110 UPGKXNICLSVZDA-HXUWFJFHSA-N 418.545 4.214 0 1 HIAF in-vitro CCNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3cccc(C(F)(F)F)c3)c2)n1 87612954 UADGDUCENPMGMX-UHFFFAOYSA-N 403.408 4.161 0 1 HIAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(-c3ccc(F)cc3)c(=O)c12 88346070 FBNJVYHPGBICGI-AWEZNQCLSA-N 414.444 4.278 0 1 HIAF CCCc1c(Cn2ccnc2-c2cccc(F)n2)ncn2cc(C(F)(F)F)nc12 141001295 CKJFUXWLEOSRIX-UHFFFAOYSA-N 404.371 4.147 0 1 HIAF Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1 142058922 GOXCOJSFYMWXQQ-DNVCBOLYSA-N 420.517 4.433 0 1 HIAF c1ccc(-c2csc3[nH]nc(N4C[C@H]5C[C@H]4C[C@H]5OCCN4CCCC4)c23)cc1 147698293 WGQSPZMCXCEALV-WSTZPKSXSA-N 408.571 4.371 0 1 HIAF Brc1cnc(NCCc2cccs2)nc1Nc1cc(C2CC2)[nH]n1 203004948 OAHUGTGETYNDIK-UHFFFAOYSA-N 405.325 4.299 0 1 HIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 586882597 ZHEVOXMORVYKFQ-UHFFFAOYSA-N 404.491 4.481 0 1 HIAF CS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 586927220 VMZGPKPJMHGMAY-UHFFFAOYSA-N 419.222 4.415 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(Cc4csc5nccn45)[nH]c3c2)cc1 587039959 HPWACASPOVVKSX-UHFFFAOYSA-N 404.451 4.442 0 1 HIAF O=C(O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587091306 IKPKZQCAVODXDB-UHFFFAOYSA-N 405.254 4.283 0 1 HIAF C=CC(=O)Oc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444967 XVCVELHMFIAYQZ-RLWLMLJZSA-N 412.441 4.478 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](C(=O)Cc1cccc(Br)c1)CC2=O 587459567 YBVFAONQWUEIQO-LJQANCHMSA-N 403.272 4.253 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cc3ccccc3o1)CC2=O 587484299 SJAXKGORQACPBW-DEOSSOPVSA-N 422.433 4.084 0 1 HIAF Cc1cc(Cl)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587551993 MAEOEFKYMVZYTC-VGOFRKELSA-N 407.809 4.163 0 1 HIAF Cc1cc(Cl)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587551994 MAEOEFKYMVZYTC-VGSWGCGISA-N 407.809 4.163 0 1 HIAF COC(=O)c1oc2c(c1C)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618952 VPYUQUBWPBTLPV-CYFREDJKSA-N 420.417 4.274 0 1 HIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CC(=O)O 587808920 RKAUIHBQPARTOW-PRWKNARSSA-N 422.294 4.022 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@]1(/C=C\N(C)C)[C@@H](C)Oc1ccccc1 961319558 JATCHIPMBQSKJN-OQHPFWFASA-N 424.585 4.328 0 1 HIAF Cc1cc2c(cc1F)[C@@H](c1cc(C)c(OCC(=O)NCC(F)(F)F)c(C)c1)NCC2 962380380 WTKFSYWYXYDFCT-HXUWFJFHSA-N 424.438 4.043 0 1 HIAF CC(C)(C)OC(=O)Nc1c(F)cccc1[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962895957 JWGILQCVFRYCBG-MAUKXSAKSA-N 404.413 4.000 0 1 HIAF COc1cccc([C@]2(CC(C)(C)C(=O)O)NCCc3cnc4c(OC)cccc4c32)c1 963060274 SCKLUUFBIMBROM-VWLOTQADSA-N 420.509 4.142 0 1 HIAF COc1cc(Cl)cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1O[C@@H](C)C(=O)O 963108655 PILSMQVQSRVAIW-KRYHZZBUSA-N 419.880 4.450 0 1 HIAF OC[C@@H](NCCCCOCCCCc1ccccc1)c1ccc(O)c2nc(O)ccc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c1cccc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 11947456 OKWWSMAKODUMGH-FQEVSTJZSA-N 404.514 4.122 0 3 HIAF CC(=O)N1CCCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1 13596540 BLXSQBMMIWSWLP-UHFFFAOYSA-N 406.505 4.041 0 3 HIAF Cn1c(=O)c2cc(NC(=O)NCc3ccccc3)ccc2n1C/C=C/c1ccccc1 61905014 LGTMVFXEMRKROM-MDWZMJQESA-N 412.493 4.375 0 3 HIAF COc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 61923923 YUNAFMYDWMIAOK-WXFUMESZSA-N 410.562 4.093 0 3 HIAF Cc1ccc2c(c1)-n1c(nc3cc(Cl)ccc3c1=O)[C@@H](Cc1ccccc1)NC2=O 61949294 YPCMIXVWMTZVEI-HXUWFJFHSA-N 415.880 4.375 0 3 HIAF CCCCOc1ccc(C(=O)N[C@H]2CCCCN(Cc3ccc(C)cc3)C2=O)cc1 200053214 LROQQBRPTIYBJW-QHCPKHFHSA-N 408.542 4.485 0 3 HIAF COc1ccc(C(=O)N2CCC3(CCN(C(=O)Nc4ccccc4)CC3)CC2)cc1 3956134 JIJMWEIEASVVOW-UHFFFAOYSA-N 407.514 4.246 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4051608 SWGYVGTXKHCPCJ-WXOSOQMESA-N 418.896 4.094 0 1 HIAF CCCCCc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 27998480 HGBUQTOGNIRVHU-AIGDTVQASA-N 419.485 4.097 0 1 HIAF CCC(=O)N(c1ccc(Br)c(Br)c1)[C@@H]1CCC[C@H]1N(C)C 28237910 HXEHMPLACPOMPI-HUUCEWRRSA-N 418.173 4.437 0 1 HIAF COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(N(C)C)c3)c2)cc1OC 28378138 MZKMKCXWIYNCQZ-UHFFFAOYSA-N 419.481 4.274 0 1 HIAF CC(C)CCn1c(Cn2c(=O)n(CCCC(=O)O)c3ccccc32)nc2ccccc21 28570838 FRLWPWGGWGPAFU-UHFFFAOYSA-N 420.513 4.112 0 1 HIAF CSc1ccc(C2=C(c3ccc(OC[C@H]4CO4)cc3)C(=O)N3CCC[C@H]3C2)cc1 29406385 RKNQYZUPERHOKK-ICSRJNTNSA-N 407.535 4.492 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2cncn2)cc1 34296751 XVJXEKYLXFKVRG-JOCHJYFZSA-N 416.481 4.285 0 1 HIAF CC(C)(C)c1ccc(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 73222115 XFWGKHADUBPWFF-UHFFFAOYSA-N 420.550 4.089 0 1 HIAF Fc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)cc1 82185663 RTWIOUVIGYBIGH-QGZVFWFLSA-N 409.490 4.485 0 1 HIAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2ccccc2F)C1 82217073 DUZKEDFGOKBDIY-DLBZAZTESA-N 414.525 4.382 0 1 HIAF FC(F)(F)c1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1 95575527 YADYWDIBESKHOH-UHFFFAOYSA-N 401.392 4.138 0 1 HIAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95878466 NODNRZMCCGMLDV-YMVVMYQSSA-N 416.496 4.411 0 1 HIAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(C(C)(C)C)c3)ncn2)c1 204185894 UQRDFVIQXQYGGX-UHFFFAOYSA-N 411.531 4.169 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(-c3ccccc3)cn2)n1 205145438 NFMJXRHLXWTYRE-CRAIPNDOSA-N 404.474 4.088 0 1 HIAF CS(=O)(=O)NC(=O)c1cc(Cl)c(OC2CCC3(CCCCC3)CC2)cc1F 261158841 QLXJMIKLAHQNBB-UHFFFAOYSA-N 417.930 4.440 0 1 HIAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@@H]3[C@H](O)[C@@]21C 504714283 LFQOBUGWTJTTGE-SDDAEXRASA-N 423.597 4.226 0 1 HIAF biogenic COc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(Cl)n1 587084003 QTPQJAGMELMTSD-UHFFFAOYSA-N 418.476 4.207 0 1 HIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587114700 XLCCBIBYPIJIBG-GFCCVEGCSA-N 411.449 4.178 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c(F)c2)c1 587147497 PFAWIMUFTLDDBW-UHFFFAOYSA-N 418.384 4.325 0 1 HIAF CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(C)ccc21 587335284 GZAXVCUECMMNED-WIOPSUGQSA-N 417.436 4.461 0 1 HIAF C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](n2cncn2)C1 587343635 UMSNSZABMLAZDI-XGXIMLBESA-N 407.445 4.282 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O2 587390617 OKWXGIMBSABZJB-GBXCKJPGSA-N 410.514 4.437 0 1 HIAF CC(C)(C)C(=O)Nc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580616 SWMFOGJWNAHUHL-GHTZIAJQSA-N 418.449 4.475 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCN(Cc2cccnc2)CC1 587583786 UWVKUDYDKCUJNA-DHLKQENFSA-N 416.477 4.030 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC(O)CC2)s1 587612718 MRBVLSWXSFQPEF-REWPJTCUSA-N 423.490 4.118 0 1 HIAF CCc1nn(CC)c2c1[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587768017 ZMXGCFKRRWFCMS-MPBGBICISA-N 406.343 4.481 0 1 HIAF CCOc1cc(F)c([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c(F)c1 962630622 FHTUAABYPANZAS-OFNKIYASSA-N 412.436 4.100 0 1 HIAF O=C1C[C@H](c2ccccc2Cl)C[C@]2(C1)N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963240916 ZXIJFOHXUAXTDJ-XYXGBRQHSA-N 420.896 4.219 0 1 HIAF CCOc1ccc(NC2=C(Cl)[C@@]3(C[C@@H](C)C2)c2c(cnn2C)CCN3C)cc1 963956850 ZYCKMFHUBJWPSV-NYHFZMIOSA-N 400.954 4.494 0 1 HIAF COc1cc(CNC(=O)/C=C/c2ccccc2)ccc1OCc1nc(C)c(C)nc1C 1857609410 KVCWAOMPBRMIIQ-ACCUITESSA-N 417.509 4.319 0 1 HIAF C[C@]1(O)CCN(Cc2cccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 2356289808 ZYKGSWGLEHADDF-FIXSFTCYSA-N 424.541 4.384 0 1 HIAF O=C(O)C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C[C@H]1Cc1nc2ccccc2[nH]1 2356306003 YDAHVOXFWZGNGK-JKSUJKDBSA-N 411.889 4.012 0 1 HIAF COc1cc(OCc2ccc3nc(-c4ccccc4)c(N)nc3c2)cc(OC)c1OC 1859644 UHOWMJFKNCWQJJ-UHFFFAOYSA-N 417.465 4.484 0 1 HIAF C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1 45834463 BGXFAQGPOXONOC-MRXNPFEDSA-N 402.560 4.166 0 1 HIAF COc1ccc(Cl)cc1NC(=O)Nc1cccc(-c2cn3ccnc3c(N)n2)c1 49034037 IZQNYEJZWDIOFU-UHFFFAOYSA-N 408.849 4.285 0 1 HIAF Cn1ccc(-c2cc(Nc3ccc(-n4cnc(-c5ccccn5)n4)cc3)ncc2F)n1 71341946 JLGCIZFVMDDGCK-UHFFFAOYSA-N 412.432 4.008 0 1 HIAF CC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O 72139890 JYJNQKZFUWAVRM-UHFFFAOYSA-N 420.557 4.155 0 1 HIAF NCCCCCC(=O)N[C@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 73373279 SDBAEXLGIPHAEK-XMMPIXPASA-N 417.553 4.415 0 1 HIAF Fc1cccc(CCNc2ncnc3c2nc(-c2ccoc2)n3C[C@@H]2CCCO2)c1 82179553 OEMFZWGTGNQJDS-SFHVURJKSA-N 407.449 4.059 0 1 HIAF C[C@@H](c1ccccc1)N1C[C@H]2[C@H](NC(=O)[C@](O)(c3ccccc3)C3CCCCC3)[C@H]2C1 101141662 LCDQNPJMKVBLRS-ACAPUBMCSA-N 418.581 4.262 0 1 HIAF O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(F)cccc3Cl)ccc12 113578430 NHJVJIHHKZQOQD-UHFFFAOYSA-N 419.880 4.259 0 1 HIAF COC[C@H]1CCCN1C(=O)[C@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169722905 BISDATDRFVQCJJ-CCKFTAQKSA-N 421.328 4.139 0 1 HIAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1ccc(F)c(Cl)c1Cl)C2 219251208 MAFAIGHLVCMHGW-VIFPVBQESA-N 420.275 4.208 0 1 HIAF CCOc1ccc(C)nc1C(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@@H]1C 220737183 WBNDJIUHFUOZRK-GOEBONIOSA-N 422.451 4.308 0 1 HIAF O=C(O)c1cc(F)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586966051 BVQXAZYEOQIGLL-UHFFFAOYSA-N 423.473 4.210 0 1 HIAF COC(=O)c1cc2[nH]c(COc3ccc(Br)cc3C)nc2cc1OC 586981946 XGNVITFMHYNISU-UHFFFAOYSA-N 405.248 4.008 0 1 HIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)cc4[nH]3)cc2N1 587127451 XTTIBVSEQCMTKN-JMCQJSRRSA-N 400.202 4.496 0 1 HIAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587155977 JZHZIEZCURCLAQ-UHFFFAOYSA-N 407.430 4.046 0 1 HIAF Cc1ccc([C@@]2(c3cc(/C=C\C(=O)O)n(C)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587391144 PPNDFZNIEHTSDU-RRFNBQSRSA-N 416.477 4.231 0 1 HIAF CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599727 ZJMHATHTUUMFOS-LMNXFLSBSA-N 418.445 4.449 0 1 HIAF CN1CCN(c2ccc3nc(-c4cc(OCc5ccccc5)ccc4O)[nH]c3c2)CC1 587783208 ZSFYUTDVROLELF-UHFFFAOYSA-N 414.509 4.266 0 1 HIAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)OC 587802497 SLRLIMBFDUYNDG-WLRWDXFRSA-N 422.294 4.397 0 1 HIAF COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O 587807833 NVYLYEQJNZJSMR-DGIBIBHMSA-N 410.283 4.109 0 1 HIAF Cc1nc(-c2ccncc2)sc1[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972438 IPDYSPIWHXTYSU-XJKSGUPXSA-N 421.856 4.133 0 1 HIAF Cc1cc2c(cc1O)[C@@H](c1c(C)n(C)c3ccc(OCC(C)C)cc13)N[C@H](C(=O)O)C2 963548606 HNWLXLRWKFPBQY-RDPSFJRHSA-N 422.525 4.224 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 963603207 BLILKGGYGRINPR-SMHQJORMSA-N 420.550 4.040 0 1 HIAF Cc1ccn2ccnc2c1N1CCCN(Cc2csc(-c3ccccc3)n2)CC1 1772576584 HGCWZNZSOQLIHR-UHFFFAOYSA-N 403.555 4.479 0 1 HIAF O=C(N[C@@H](Cn1ccnc1)C(=O)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 1857586855 LOOSUPPEZFVCFA-QHCPKHFHSA-N 413.452 4.371 0 1 HIAF Cc1ccc(N2C(=O)CS[C@H]2c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857613315 IUZRUBNUYDSUAT-WNSKOXEYSA-N 407.539 4.107 0 1 HIAF Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)nc1 4793579 YJAARKINEPWQCR-DNQXCXABSA-N 424.504 4.431 0 1 HIAF CCOC(=O)[C@@](NC(=O)CC(C)C)(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F 5499787 HZAQKBMXOLLJTH-HNNXBMFYSA-N 414.346 4.101 0 1 HIAF O=C(O)c1ccc2nc(-c3ccc(S(=O)(=O)c4ccc(Cl)cc4)cc3)[nH]c2c1 34390348 ZVKFEOMYLFFRRO-UHFFFAOYSA-N 412.854 4.414 0 1 HIAF O=C(Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)N1CCOCC1)c1ccccc1 43079603 QIZQDVGDSFYTHP-UHFFFAOYSA-N 423.415 4.323 0 1 HIAF COC(=O)[C@@H]1C[C@@]2(CC=C(C)C)c3ccccc3N3C(=N)[C@H](Cc4ccccc4)N1[C@H]32 45497998 OYQFARLFBYSBDE-RLBRRGQKSA-N 415.537 4.276 0 1 HIAF Cc1cc(OCCCN2C[C@@H]3[C@H](CCN3C)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49113736 FGSBLNXBYOAEOJ-WZONZLPQSA-N 422.548 4.391 0 1 HIAF CC(C)N1C(=O)N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223922 VRNHCGWRSOWEIE-HOYKHHGWSA-N 401.466 4.000 0 1 HIAF COc1cccc(CCNc2cncc(Oc3cccc4cccnc34)n2)c1OC 82068658 KBKFLBFCQYZZPE-UHFFFAOYSA-N 402.454 4.489 0 1 HIAF COc1ccc(C(=O)OCc2cc(=O)c(OC)co2)cc1C12CC3CC(CC(C3)C1)C2 84758453 ZLOGRMJKINUVMS-UHFFFAOYSA-N 424.493 4.482 0 1 HIAF COc1ccc([C@H](O)Cc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 88368231 VBFAYOJVHJXVMZ-CYBMUJFWSA-N 406.191 4.340 0 1 HIAF Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2ccccc2c1 95598534 RUVHGLXFPMMCLU-HDICACEKSA-N 409.555 4.136 0 1 HIAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5=CCCCC5)cc34)cn2)CC1 96274084 NOINHGBAXKOKQW-UHFFFAOYSA-N 405.502 4.414 0 1 HIAF CC(C)(C)CC(C)(C)N1[C@H]2CC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2 169685610 HHCJIYRNYPEVBO-FVQHAEBGSA-N 411.546 4.477 0 1 HIAF C[C@H](c1ccccc1)N1C[C@H]2CCCN2c2cc(Br)ccc2S1(=O)=O 254045286 HYHZQJJFICKXKO-RHSMWYFYSA-N 421.360 4.183 0 1 HIAF C[C@@H]([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)[C@H]1C[C@H]1C(=O)O 299848566 SPBCVLSZAPVLJN-BMZUTGFSSA-N 404.591 4.334 0 1 HIAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c2)cc1 586879826 KAABJACBAPZAFZ-UHFFFAOYSA-N 419.506 4.350 0 1 HIAF FC(F)(F)c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(Br)cn1 587116173 RGZJQRXGRVNJAK-UHFFFAOYSA-N 400.154 4.177 0 1 HIAF COc1ccc(-c2nc3cnc4ccccc4c3[nH]2)c(I)c1 587180091 LMKMPNYKHNJANY-UHFFFAOYSA-N 401.207 4.391 0 1 HIAF Ic1nccnc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587186667 NZQMHVLYNQZMJT-UHFFFAOYSA-N 414.206 4.417 0 1 HIAF Cc1ccnc2[nH]c([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc12 587222589 ZFFQMUFLGYEZDB-QGZVFWFLSA-N 424.501 4.356 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](c2nc[nH]n2)(c2cccs2)[C@H]1c1ccc(F)cc1 587371700 CVAOVRJNKZXNHL-RXVVDRJESA-N 407.426 4.014 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)N1CCN(Cc3ccccc3)CC1)CC2=O 587474617 IWEAQYMZHNFCCP-XMMPIXPASA-N 422.569 4.275 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1[C@@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)CC2=O 587489305 TZLNDIVQJMZOKN-COKFOSIUSA-N 401.503 4.324 0 1 HIAF Nc1nc2cc(Cl)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 587553274 VDOBIWBJHYCVRE-UZLBHIALSA-N 408.797 4.472 0 1 HIAF C[C@@]1(c2ccc(N3CCOC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584707 APPFODBUGRJNNY-RDPSFJRHSA-N 417.417 4.226 0 1 HIAF CCC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587600179 MOZXIJDYFBMDLI-QPPBQGQZSA-N 420.417 4.419 0 1 HIAF COc1cc(C)cc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612988 XFZIZBGIMHNIFH-GBXCKJPGSA-N 404.418 4.349 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587789690 DGGDWXCAJBVZCO-XCLFUZPHSA-N 406.295 4.238 0 1 HIAF CC(C)(C)C(=O)OCc1ccc([C@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1 653704637 VPUKGDGSVMAWIM-NRFANRHFSA-N 405.498 4.005 0 1 HIAF CCCOc1ccc([C@@]2(c3ncco3)N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963636756 SDANFKWYQOCAGI-UPCLLVRISA-N 408.498 4.307 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2ccc(Cl)nc2)cc1 1772640764 XNWXDODHICUJJU-UHFFFAOYSA-N 411.918 4.056 0 1 HIAF CC(C)=CCC[C@]1(C)C=C[C@@H](OC(=O)C=C(C)C)[C@](C)(O)C=C[C@@H](O)C(CO)=CC1 1857628245 CMSLJHNSPYWASF-YQIMAOPZSA-N 418.574 4.164 0 1 HIAF Cc1ccnc2c(NC(=O)c3ccc([C@H]4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@H]5C4=O)cc3)cccc12 1857764774 XPISELXIQGCMOR-XZAVUURCSA-N 422.484 4.469 0 1 HIAF C[C@@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccc2c(c1)OCO2 1911575827 GXOSBQCAIBFCMC-OAHLLOKOSA-N 423.488 4.458 0 1 HIAF COc1ccc(S(=O)(=O)Nc2ccc3c(=O)cc(-c4ccccc4)oc3c2)cc1 1911585105 JDKKSIKTGLGCMZ-UHFFFAOYSA-N 407.447 4.269 0 1 HIAF CC1=C[C@H](CNc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356388338 AUWYQCLVQMCXEL-OTWHNJEPSA-N 406.534 4.374 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCC(C)(C)CO 4216544 AKAQRCAMLXFIQG-RTWAWAEBSA-N 404.551 4.234 0 1 HIAF CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)Cc3ccccc3)nc21 13834595 DDFMQYRPIBVRHP-HXUWFJFHSA-N 416.529 4.035 0 1 HIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1cccc(OC(=O)c2ccccc2)c1 26185978 HXSNZUIRROHKTP-GKYQZKGUSA-N 421.449 4.327 0 1 HIAF CCCN(Cc1cccc(Cl)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40408279 WSXIHOGIEKSLQO-OAQYLSRUSA-N 420.891 4.010 0 1 HIAF C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)CCCCc2ccccc2)C1=O 45258079 HGIQFGNWXVMLRJ-OFNKIYASSA-N 421.537 4.339 0 1 HIAF O[C@@H](CNCc1ccc(Br)cc1)Cn1c2c(c3ccccc31)CCCC2 73170198 NUXHYPLBQQBFPB-SFHVURJKSA-N 413.359 4.433 0 1 HIAF C[C@H](C(N)=O)n1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21 78762713 OECHUCAIFWMWTF-SSDOTTSWSA-N 402.735 4.081 0 1 HIAF CC(C)c1ccc(NC(=O)c2ccsc2)c(N2CCN(c3cnccn3)CC2)c1 84615036 JDCCIEHCALNKOI-UHFFFAOYSA-N 407.543 4.240 0 1 HIAF FC(F)(F)CN1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F 100087222 RFJGDFNFIPRZGO-CLLJXQQHSA-N 417.191 4.026 0 1 HIAF Cn1cc(-c2cc(-c3cnn(C)c3)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144897328 XWKYSUQTRLVMPH-NRFANRHFSA-N 410.399 4.266 0 1 HIAF CCNC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C 146235916 OCXPEEFBBQXHDC-UHFFFAOYSA-N 414.513 4.247 0 1 HIAF c1ccc(-c2csc3ncnc(N4CC[C@@H](COCCN5CCCC5)C4)c23)cc1 146481965 KEGYOVVCEIJJLT-GOSISDBHSA-N 408.571 4.297 0 1 HIAF Cc1cc([C@H](N)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1 169700131 JTMLSGGBBKYZLY-QOKNQOGYSA-N 418.394 4.464 0 1 HIAF COC1CCC2(CC1)Cc1ccc(C3CCCC3)cc1[C@@]21N=C(N)N(C(C)C)C1=O 169700423 UROGHDPZGITNBK-VZTJNBFISA-N 409.574 4.236 0 1 HIAF CC1=C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@H](C)n2ncnc2N1C 586990043 UINGEKWBXQHFTG-ZDUSSCGKSA-N 409.449 4.185 0 1 HIAF COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587024508 AXPNSDTZNGPQCC-YSGRDPCXSA-N 423.538 4.486 0 1 HIAF Fc1cc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2cc1-n1cccn1 587075027 BMVICGMBQPCPPD-UHFFFAOYSA-N 408.824 4.376 0 1 HIAF Cc1ccc(S(N)(=O)=O)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587101489 GSSKLBRBUSFZOO-UHFFFAOYSA-N 414.486 4.377 0 1 HIAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(Br)cc4[nH]3)n2)cc1 587111348 DXPVBZWMKYKZQW-UHFFFAOYSA-N 423.196 4.046 0 1 HIAF FC(F)Oc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 587130780 QMGBTDXPSJMHFC-UHFFFAOYSA-N 421.572 4.484 0 1 HIAF Fc1ccc(-c2nc3cc(I)ccc3[nH]2)nc1Br 587156134 VWVYANIUMGWNFL-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(C2CC2)n1 587231726 FXFJDFKAJXBRDX-UHFFFAOYSA-N 404.474 4.403 0 1 HIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1 587355169 TWLSJWAPBXTDIC-RCZVLFRGSA-N 418.420 4.359 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCCC3)cc1)CC2=O 587473996 DPQHNZIASWOAFG-JOCHJYFZSA-N 409.482 4.052 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC1OCCO1)c1cccc(F)c1 587571369 NLSMQRQTGTZJKQ-XUZZJYLKSA-N 422.408 4.151 0 1 HIAF C[C@@]1(c2cc(N3CCCC3)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594642 NGXXHHWVYIKVEF-DHLKQENFSA-N 416.477 4.452 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3cccc(F)n3)CC2)N1 587738889 ROVPUDHQRLWBQU-GFCCVEGCSA-N 408.290 4.152 0 1 HIAF COC(=O)c1oc2c(c1C)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587832158 YWCYKGSALPFOJN-FVINQWEUSA-N 422.294 4.390 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3sc(N)nc23)N1 587859348 WBWFMZSLOFXXEA-LZVRBXCZSA-N 406.324 4.578 0 1 HIAF CC[C@]1(Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)CC(=O)c2ccccc2C1 587959443 DYEQVVPDFVXNHY-RUZDIDTESA-N 414.509 4.086 0 1 HIAF Cc1sc2c(c1C)CCN[C@]2(c1ccc(F)cc1)c1cc2c(cc1N)OCCO2 963016935 CVQWCLJBAPSFJP-HSZRJFAPSA-N 410.514 4.295 0 1 HIAF CCCOc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1OCCC 963468908 IZVACBQZVBUDSZ-UUOWRZLLSA-N 413.514 4.141 0 1 HIAF COc1ccc2cc(-c3ccc([C@@]4(OCCCO)CN(C)CCO4)cc3)ccc2c1 1857567109 ZKDLMGPZJURLBQ-RUZDIDTESA-N 407.510 4.029 0 1 HIAF O=C(O)C[C@H](c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1)c1cnco1 1857768445 LBXKXRVUCOIOKC-DLBZAZTESA-N 415.829 4.153 0 1 HIAF CCCN1CC(=O)Nc2ccc(I)cc2[C@H]1c1ccccc1 1911583387 OICLWUZLCMWESU-GOSISDBHSA-N 406.267 4.045 0 1 HIAF CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 61923095 IJAKDSXXAILQSP-HKBOAZHASA-N 416.953 4.265 0 3 HIAF CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc21 5058552 HJQVOZSSSQIYSV-XHDOVSQSSA-N 418.518 4.324 0 1 HIAF COC/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 13863679 VHGGLPYMJXZJFI-ZZXKWVIFSA-N 413.275 4.277 0 1 HIAF O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)Cc1ccccc1-2 13864103 MPLFOTCUGHQPTL-UHFFFAOYSA-N 411.549 4.200 0 1 HIAF CC(=O)c1ccc(N2[C@H](c3cccc(O)c3)n3c(nc4ccccc4c3=O)[C@H]2C)cc1 45299824 SFOMIHGBLXEVRX-MYYSRTQBSA-N 411.461 4.433 0 1 HIAF CC(C)CCN1Cc2cc(CC(C)C)c(NC(=N)N)cc2N[C@@H](CC(C)C)C1=O 49053826 GTTWHDWKUGXZLX-NRFANRHFSA-N 401.599 4.405 0 1 HIAF O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CC[C@H](c2cnccn2)C1 49111602 SHGFMISVWSSDPI-IBGZPJMESA-N 422.479 4.476 0 1 HIAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2ccc(F)cc2)C1 82214951 SVQHPWZEKNKKKN-DLBZAZTESA-N 414.525 4.382 0 1 HIAF CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 96270346 AKUMEQZHMQCUCT-JOCHJYFZSA-N 424.497 4.245 0 1 HIAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(CCC(C)(C)O)ccc3F)nnc12 145738803 XOXQBNCDSZCOJT-UHFFFAOYSA-N 405.477 4.368 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)nc1)Nc1ccc([C@@H]2CNCCO2)cc1Cl 149904679 RHIVXACMZCNCEU-AWEZNQCLSA-N 400.788 4.059 0 1 HIAF O=S(=O)(c1ccccc1)[C@H]1C[C@@H]2O[C@@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 169364364 ONZSWOKBHMLNCW-HFMPRLQTSA-N 420.486 4.022 0 1 HIAF COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169696322 ULMJTQRLTUJPJN-PMACEKPBSA-N 411.523 4.053 0 1 HIAF C[C@H]1c2ncnc(-c3ccn[nH]3)c2CCN1C(=O)c1ccc(F)c(Cl)c1Cl 225927982 RODCWXMGGHHCSB-VIFPVBQESA-N 406.248 4.072 0 1 HIAF Cc1cccc(-c2ncccn2)c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 226055682 RWBCSTYSWNPGRW-QRFRQXIXSA-N 418.472 4.058 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc(C)cnc3[nH]1)C(=O)OC2 586915982 SZHVJCBWOZJVSM-LFYBBSHMSA-N 407.470 4.081 0 1 HIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(C)cnc(Cl)c2[nH]1 586985678 ZBNVAGWGBICBHH-ZDUSSCGKSA-N 407.699 4.102 0 1 HIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587108658 GUPMPIMSDBZWIX-UHFFFAOYSA-N 410.661 4.361 0 1 HIAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(Cl)ccnc2[nH]1 587167043 FZZLBAMLRLDQBF-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF Cc1ccc2c(c1)[C@@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355421 DERSNTDEPKFTLK-LADGPHEKSA-N 404.393 4.403 0 1 HIAF CCOC(=O)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379113 WZWLCNNZOZZOKD-SIKLNZKXSA-N 412.438 4.410 0 1 HIAF COC(=O)c1cccc(-c2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2O)c1 587397662 AGMMUMIGIQRALL-OAQYLSRUSA-N 403.434 4.443 0 1 HIAF COc1cc2c3c(c1)O[C@H]([C@H]1CC[C@H](NC(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587431476 GHSBJUFPNNAPDV-LRYGAUQLSA-N 421.493 4.296 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(F)n1 587569448 LFVVULYRIKJKDP-YJBOKZPZSA-N 416.202 4.392 0 1 HIAF Cc1[nH]c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1CCC(=O)O 587586761 DHBKTWBVKSWMKF-WMZHIEFXSA-N 407.422 4.057 0 1 HIAF COC1=C(Br)[C@@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587681548 LHNQHVXRXOTBPG-AYVTZFPOSA-N 405.105 4.364 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccco2)N1 587707369 UOFYPMHGUDJYFO-ABKXIKBNSA-N 420.200 4.481 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587728019 QLJBFKYALASZKN-FKIZINRSSA-N 424.285 4.458 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(O)ccc32)N1 587779648 VFQQOGPIPGRPDW-GIPWTMENSA-N 405.311 4.439 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)s2)N1 587850319 YLYAQKFUDVTVOU-BBATYDOGSA-N 411.340 4.110 0 1 HIAF CCN(c1ccc(-c2csc(-c3ccc(OC)cc3OC)n2)cc1)S(C)(=O)=O 587923560 WVNFYELWPSWEFH-UHFFFAOYSA-N 418.540 4.280 0 1 HIAF COC(=O)c1ccnc2cc(OCc3ccc(Cl)c(OC(F)(F)F)c3)[nH]c12 653736173 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HMVLVYFZIZMULB-OAQYLSRUSA-N 401.466 4.161 0 3 HIAF Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)nc1 4793590 YJAARKINEPWQCR-ZEQRLZLVSA-N 424.504 4.431 0 1 HIAF COC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]1c2ccccc2C=C(C)N1C(=O)OC 8682200 RUBBAQAIHUWYNP-NHCUHLMSSA-N 411.454 4.145 0 1 HIAF O=S(=O)(O)c1cc2[nH]c(-c3c(O)ccc4ccccc34)nc2c2c(O)cccc12 13475408 VOWDKRLNGDQUBN-UHFFFAOYSA-N 406.419 4.194 0 1 HIAF C[C@@H](O)c1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 13530077 KVVDESNDSYIREX-CQSZACIVSA-N 412.489 4.045 0 1 HIAF CSc1sc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1S(=O)(=O)C(C)C 33764404 AZHXYRXVVUDPNV-GIJQJNRQSA-N 416.977 4.069 0 1 HIAF C[C@@H]1CCCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)C1 34270936 WVKUHYKTCYXWNV-GOSISDBHSA-N 417.509 4.073 0 1 HIAF CC(C)(C)OC(=O)N1CCN(c2cc(Oc3ccc4ccccc4c3)ncn2)CC1 34389744 IDJWZPOEPRTYOZ-UHFFFAOYSA-N 406.486 4.479 0 1 HIAF Cc1ccc(S(=O)(=O)N[C@@H](/C(=C/c2ccsc2)[N+](=O)[O-])c2ccccc2)cc1 34774010 QIAXCEKKCBHBPW-QRRJMBGHSA-N 414.508 4.394 0 1 HIAF COC[C@@H]1CCCN1C(=O)C1=C(C)Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 40934005 YUQIGBKAJHYJLB-LIRRHRJNSA-N 421.328 4.116 0 1 HIAF CC(C)Cc1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@@H]1CCCN1C 82180885 KKGSYDYDDIODDO-IBGZPJMESA-N 424.568 4.303 0 1 HIAF NCc1ccc(C(=O)Nc2ccncc2F)cc1-c1cccc(C(=O)OCC2CC2)c1 96286486 AIFNSIBLMYXDPH-UHFFFAOYSA-N 419.456 4.166 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1C 101417688 QOLHUCVLXVPCQL-JFIYKMOQSA-N 412.490 4.057 0 1 HIAF O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2ccc(F)cc2)CCCN1 103216757 YMCRTSYATREITB-LJQANCHMSA-N 412.571 4.284 0 1 HIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N[C@H](C)CO)no2)cc1C#N 117395274 KWBICGIAQJQQIG-QVKFZJNVSA-N 418.497 4.020 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccc(C)o4)[C@H]3c3ccco3)sc2c1 169691847 ITIZJANZAYCPAV-QZTJIDSGSA-N 420.446 4.255 0 1 HIAF COc1nc2c3c(cnc2cc1-c1c(C)noc1C)NC(=O)[C@H]3Cc1ccccc1 214086870 ZULXIHDLPPWDPC-HNNXBMFYSA-N 400.438 4.189 0 1 HIAF in-vitro COC(=O)N(c1ccccc1)c1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 223407187 NGYJMRVHIXLDET-UHFFFAOYSA-N 412.449 4.420 0 1 HIAF CC(C)c1cc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)n[nH]1 299859402 XJBUFAHVOCEKLG-UAPYVXQJSA-N 406.534 4.373 0 1 HIAF O=C(O)c1cc(F)cc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183546 DSDFEESPSYEJJC-PLNGDYQASA-N 408.170 4.175 0 1 HIAF Cc1ccc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2n1 587217255 BSKVHTSUCOPCHM-SFHVURJKSA-N 424.501 4.356 0 1 HIAF O=C(c1csc(-c2ccccc2)n1)c1c(CO)oc2cc(Br)cnc12 587275746 FKGNDGYIDJJRKC-UHFFFAOYSA-N 415.268 4.437 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 587371111 DCWZRFOURIQZAL-INIZCTEOSA-N 401.677 4.339 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCc4c(OC)ccc(Br)c41)[C@@H](C2)C3=O 587417128 JOKIUKRMBJDYRR-RNODOKPDSA-N 401.256 4.055 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4[nH]nc(Nc5ccccc5)c41)[C@@H](C2)C3=O 587438584 GSTFSLQKTLEUKN-SSOJOUAXSA-N 415.493 4.777 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(Br)s1)[C@@H](C2)C3=O 587450341 JMCNLQZCTBITRX-XBFOYSJQSA-N 420.328 4.237 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC13CC3)CC2=O 587474588 IOEDFMWVTJSSRU-QHCPKHFHSA-N 401.503 4.470 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1n[nH]c3ccccc13)CC2=O 587487576 WJTIVMULUIMTIE-HSZRJFAPSA-N 408.454 4.035 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc2c(c1)CCCC2 587604473 UGRXYNAATNVGHF-OFVILXPXSA-N 416.429 4.213 0 1 HIAF CC1(C)COC2(CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)OC1 587610749 QONGDAPKDXXHOF-LJQANCHMSA-N 410.466 4.436 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)ccc(F)c2C(=O)O)N1 587716017 DALXEFXKKFJBGD-CVJBHZAOSA-N 414.221 4.362 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)nc(N3CCCC3)c2)N1 587738690 QEWIYWZCNLWCNH-WYRIXSBYSA-N 408.290 4.346 0 1 HIAF CC(=O)Nc1cccc2c1[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587745451 WFJYXNJGILGVMQ-PRWKNARSSA-N 403.295 4.271 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCNC(=O)OC(C)(C)C)N1 587755432 OFYQFTPYXZWAAC-VOJFVSQTSA-N 401.320 4.252 0 1 HIAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 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404.432 4.369 0 1 HIAF Cc1cc(C(=O)Nc2cc(OC(C)C)cc(OC(C)C)c2)cc(C)c1OCCN 28966973 CGZOFBLOAIVDTB-UHFFFAOYSA-N 400.519 4.468 0 1 HIAF OC[C@@H]1CCCN1CCc1ccc(C2=CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 36289116 CNPAPCMIYUFOOZ-CMTIAEDTSA-N 402.582 4.221 0 1 HIAF CCC[C@H](Oc1ccc(-n2cc(C)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 96269701 SZPWPGPIJSPDNT-QFIPXVFZSA-N 421.497 4.305 0 1 HIAF CCOC(=O)c1cccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)c1 101493600 AIJXCVAMROMQMY-UHFFFAOYSA-N 421.518 4.456 0 1 HIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc2c(c1)OC(F)(F)O2 167361289 ZVAPJUVMCPUKOM-AWEZNQCLSA-N 405.397 4.279 0 1 HIAF COC(=O)[C@@H](N)C[C@]1(C)C[C@@H]2CC[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C 169362223 UASYBMLHVWZBST-LJRQGQEFSA-N 408.627 4.288 0 1 HIAF Cc1ccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 169689257 KBSIGJQSDAXLEH-LEWJYISDSA-N 414.417 4.194 0 1 HIAF C[C@]1(O)C[C@@H](c2nc(-c3ccc([C@@H](N=O)c4ccccc4)cc3)c3c(N)nccn32)C1 169694153 DLCLDCZVAFNMKR-AXHZCLLHSA-N 413.481 4.463 0 1 HIAF Cc1ccccc1[C@H](C[C@@H](N=O)c1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1 169730194 ZLQBDFFAZUFHQT-FGZHOGPDSA-N 424.522 4.127 0 1 HIAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cc1-c1ccccc1 203894265 VEMRXZKPKNAYGR-IBGZPJMESA-N 410.857 4.356 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncnc2-c2cscn2)C1 219466854 ROMHQZSERGEFTG-UHFFFAOYSA-N 424.835 4.471 0 1 HIAF Cc1ccc(C)c2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc12 586944180 NIXYASIAXZZBJZ-UHFFFAOYSA-N 411.552 4.429 0 1 HIAF Brc1cnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029110 HWOLJOMPNTUGCG-UHFFFAOYSA-N 411.288 4.242 0 1 HIAF Fc1ccc2c(c1)C[C@@H](c1nc3c(Br)cnc(Br)c3[nH]1)O2 587173711 HHESKTVZZLYSIZ-JTQLQIEISA-N 413.044 4.298 0 1 HIAF COc1cc2c3c(c1)O[C@@](C[C@@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)[C@@H](C2)C3=O 587437841 LSIYRWIFFJUAPE-KEWLPNKHSA-N 413.514 4.381 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4ccco4)c(OC)c1)[C@@H](C2)C3=O 587456658 XBWYPJOSAFLLSK-NYHFZMIOSA-N 406.390 4.005 0 1 HIAF Cc1cnn(Cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c1 587582117 OHYSIGWLVIWIEB-REWPJTCUSA-N 402.406 4.241 0 1 HIAF COc1cccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 587582179 KMXMZLLFFJGPJK-JOCHJYFZSA-N 417.461 4.402 0 1 HIAF CCn1ncc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587705866 NUWMECRNBHYXNW-ABKXIKBNSA-N 420.248 4.453 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccc(F)cc2)N1 587732874 KQTUTWJBAYABBI-FVEXXERHSA-N 408.242 4.146 0 1 HIAF CC1=C[C@@]2(CC(=O)N1Cc1ccco1)N[C@H](C)Cc1cc(Br)c(F)cc12 587757693 HNJKBHZFYIYKHT-ODXCJYRJSA-N 419.294 4.247 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCc2nnc(N)s2)(c2ccccc2)N1 962955081 RQHBKKUYQRMKCZ-QMHKHESXSA-N 403.555 4.402 0 1 HIAF C[C@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)c2c(F)cccc2C[C@@H]2CCCN21 963096459 NLRWAWZDUMMQRK-HJPURHCSSA-N 407.445 4.083 0 1 HIAF C[C@@]1(CSc2nnc(-c3ccco3)n2-c2ccccc2)NCCc2ccc(O)cc21 963340819 ILOWWFRTKZIVFM-QHCPKHFHSA-N 418.522 4.386 0 1 HIAF FC(F)(F)c1ccc(CN[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772579748 GHQXIPCTZVATFK-KOMQPUFPSA-N 414.435 4.440 0 1 HIAF Cc1ccccc1-c1nc(C[S@](=O)CC(=O)N[C@@H](C)CCc2ccccc2)c(C)o1 5058178 RGLGEVZRXTZOIY-YVGXBJCXSA-N 424.566 4.345 0 3 HIAF COc1cccc(-c2cc3nc(Nc4ccc(OC)c(OC)c4)n(C)c(=O)c3s2)c1 61928383 XWJDLXWCOMUMSA-UHFFFAOYSA-N 423.494 4.431 0 3 HIAF Cc1nc2ccccc2n1Cc1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C 591050 IRKPNOLLMNHSOU-UHFFFAOYSA-N 423.524 4.176 0 1 HIAF in-vivo CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](CO)Cc2ccccc2)c1 775779 POSKWZUMSWVDBC-LJQANCHMSA-N 422.525 4.371 0 1 HIAF Cc1ccc2cc(CN(CCCN(C)C)C(=O)NCc3ccccc3)c(O)nc2c1C 8579836 MTTWXLYEPWOSKV-UHFFFAOYSA-N 420.557 4.221 0 3 HIAF NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)c1ccccc1Br 8617186 PYRSGXAGTBVOPO-UHFFFAOYSA-N 417.288 4.000 0 1 HIAF aggregator COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F 103250764 RIPQLOCNIOPCFT-LJQANCHMSA-N 411.399 4.309 0 1 HIAF C[C@H]1C[C@H](C)CN(c2ccc(Cl)cc2C(=O)NCCc2ccc(C(=O)O)cc2)C1 27561163 VYVITXCBCOLLKT-HOTGVXAUSA-N 414.933 4.493 0 1 HIAF CC=CC=Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2 2356636853 XXHQUPUACYOBLJ-KXMWUTRISA-N 412.526 4.459 0 1 HIAF O=Cc1ccc([C@H](C2CCCCC2)[C@@H]2C[C@H]([C@@H]3CC[C@@H]4CCC[C@@H]4N3)[C@]3(O)C[N@]23)cc1 2356769210 YMSJVQLHYWQYGP-KRNMETEUSA-N 422.613 4.476 0 1 HIAF O=C(Nc1ccc(N2CC(F)(F)C2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F 71319106 LBFLJRBLAAEWJK-UHFFFAOYSA-N 424.329 4.463 0 1 HIAF CC(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3OC(C)=O)C=CC(C)(C)O4)coc2c1 15257361 UVWYHZNPWOAQAI-UHFFFAOYSA-N 420.417 4.495 0 1 HIAF biogenic Nc1ccc(C[C@H](C(=O)O)c2cn(Cc3csc4ccc(Cl)cc34)cn2)cn1 34630181 OUEPOKZKQATUTC-INIZCTEOSA-N 412.902 4.188 0 1 HIAF CC(C)=CCC[C@]1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)C2=C[C@@](C)(O)CC[C@@H]21 14958437 MUPLWVKSOMVFQB-HDBFHEOPSA-N 424.493 4.354 0 1 HIAF biogenic N[C@H](CNC(=O)c1cc2c(-c3ccc(Cl)cc3Cl)cccc2s1)C(=O)O 43013011 DACYHOWCDYMMGQ-CQSZACIVSA-N 409.294 4.017 0 1 HIAF COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](C)NC23CCCCC3)c2ncccc2c1 43017170 KUSUCJNZQNCWFR-ZWKOTPCHSA-N 410.562 4.305 0 1 HIAF Cc1cccc2cc([C@H](C)Nc3cc(N)nc(Cl)n3)n(-c3ccccc3)c(=O)c12 88346115 FUGXOIKZLQQLKY-AWEZNQCLSA-N 405.889 4.498 0 1 HIAF COc1ccc(OC)c(CCNc2cc(Oc3cccc4cccnc34)ncn2)c1 82067661 RPYHASLADTXILF-UHFFFAOYSA-N 402.454 4.489 0 1 HIAF CCn1c(=O)n([C@@H]2CCN(C[C@@H]3CCCCC34CCC4)C[C@H]2CO)c2ccccc21 96902404 IBFLFMANOOXUDC-PCCBWWKXSA-N 411.590 4.039 0 1 HIAF COCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@@H]2C1=O 254239059 WWPQRNIXPZCCMI-SCMUXVNPSA-N 408.542 4.443 0 1 HIAF Cc1c(Br)ccc2nc(-c3cncc(I)c3)[nH]c12 587184031 AXGDVKWZSJWSCJ-UHFFFAOYSA-N 414.044 4.300 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnn1-c1ccc(F)cc1 587569960 JPAHSNHHHQSBBP-OFNKIYASSA-N 402.381 4.420 0 1 HIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(CCO)ccc4[nH]3)cc2)c1C 586946732 FDGMURNXIIUYFM-UHFFFAOYSA-N 421.522 4.182 0 1 HIAF CCC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587659828 FFJYEOCSGQNURL-UHFFFAOYSA-N 415.424 4.240 0 1 HIAF COc1ccc([C@]2(Cc3ccncn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525796 OBRXIWIEHFGFPA-VWLOTQADSA-N 400.478 4.467 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)cc2[nH]1)C[C@@H]1CCCO1 587196761 WMDLOZUTXZZQRM-ZDUSSCGKSA-N 410.312 4.242 0 1 HIAF O=C(c1ccccc1Br)c1c(CO)oc2cc(Br)cnc12 587273864 PLZQLOSDROXWHN-UHFFFAOYSA-N 411.049 4.076 0 1 HIAF COc1ccc2[nH]c(C)c(CC[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c(=O)c2c1 587394404 GKUXQDCURIBQNI-DEOSSOPVSA-N 406.482 4.092 0 1 HIAF Cc1cc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587126338 XXIKGIKJBIDIEA-UHFFFAOYSA-N 424.326 4.214 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(c2ccc(O)cc2)=COc2cc(O)ccc21 587410605 YSHVILQFPWOLME-DEOSSOPVSA-N 401.418 4.283 0 1 HIAF C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342470 DXGKEFBKHFQCSM-DOYUUMQYSA-N 413.445 4.268 0 1 HIAF Cc1cc(Br)cc2nc(-c3cncc(I)c3)[nH]c12 587184946 NUBSOQBDUISIRQ-UHFFFAOYSA-N 414.044 4.300 0 1 HIAF CCOCCOc1ccc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587378587 VXYUMEKOQPSNFQ-LJQANCHMSA-N 420.303 4.462 0 1 HIAF O=S(=O)(Nc1ccsc1-c1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(F)cc1 587171032 XGRKPAYQULMQBE-UHFFFAOYSA-N 413.459 4.108 0 1 HIAF CN1CCc2c(Br)cccc2[C@@H]1c1ccnc(Br)c1F 963280663 OITXWKPKPSLIIS-CQSZACIVSA-N 400.089 4.323 0 1 HIAF CC1(C)OC[C@H]([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)N1C(=O)O 963832282 NCAFNWWLZVWPDC-IFMALSPDSA-N 421.497 4.049 0 1 HIAF C[C@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903222 MDAMEJFFOTZNAP-XUZZJYLKSA-N 405.425 4.053 0 1 HIAF O=C(O)CN1C=C[C@]2(NCCc3c(Cl)cc(Cl)cc32)c2cccc(Cl)c21 963120570 KJKBBYNXVSKVKN-IBGZPJMESA-N 409.700 4.454 0 1 HIAF CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2C(=O)c2cccc(Cl)c2)C1 13442745 OZWZXIFHYQQIHB-UHFFFAOYSA-N 404.919 4.132 0 1 HIAF CC(C)=CCn1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O 13487665 BTVCUBHJRIGKQW-UHFFFAOYSA-N 412.486 4.086 0 1 HIAF COC(=O)c1ccc([C@@H](NC(=O)OCc2ccccc2)/C(F)=C/[C@@H](C)C(=O)O)cc1 13828900 SWESBNPYUJVGLP-KABGHOERSA-N 415.417 4.015 0 3 HIAF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 14975690 OPYOJVJATARELS-UHFFFAOYSA-N 418.328 4.409 0 1 HIAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@@]23[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@@H]2[C@H]7[C@@]2(OCCCN32)[C@@H]46)cc1 169299189 RQXVHLUYOBCSQY-BMHXSJBBSA-N 419.565 4.048 0 1 HIAF Cc1nc(C(F)(F)F)c(C(=O)Nc2cccc([C@]3(C)CCSC(N)=N3)c2)s1 169694561 RMXPFZRWZVMEGP-INIZCTEOSA-N 414.478 4.389 0 1 HIAF CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc(C)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206041556 MSIQLXJRAHZAHZ-BESBDSHLSA-N 418.603 4.013 0 3 HIAF O=C(/C=C/c1ccc(O)cc1)N1Cc2ccccc2[C@@H](OCc2ccccc2)[C@@H]1CO 1857571740 UYHWZAOKZKEOMO-JZCNTLAZSA-N 415.489 4.067 0 1 HIAF C[C@](CCc1ccc(-c2ccccc2)cc1)(C(=O)Nc1ccccc1N)S(C)(=O)=O 1857647202 OQMNEWNNBFRXDJ-DEOSSOPVSA-N 422.550 4.310 0 1 HIAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2F)=N[C@@H]1CCC(=O)N1CCCC1 1857769088 MODGOTGRMNPUSD-LJQANCHMSA-N 413.880 4.040 0 1 HIAF COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H]1CCCC[C@H]1O 775031 LROLYOMONVFRGO-QZTJIDSGSA-N 410.445 4.190 0 1 HIAF CC(C)c1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2cccc(C(=N)N)c2)cc1 1489692 LDLWCXXXNQMHRC-UHFFFAOYSA-N 416.481 4.304 0 1 HIAF Cc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@@H]3CCCc4ccccc43)c(C)o2)cc1 5058033 TUKPYDBIIZTJDX-DFXYEROKSA-N 422.550 4.401 0 1 HIAF O=C(O)C[C@@](O)(CSCCCCCCc1ccc(Cl)c(Cl)c1)C(=O)O 13758140 HFKUTSQHEHKDBJ-QGZVFWFLSA-N 409.331 4.120 0 1 HIAF CCN(CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Cl)cc1 35034027 KNNDVGUOYGULAT-QHCPKHFHSA-N 416.949 4.173 0 1 HIAF O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(F)ccc1F 40423178 USFSOZBYLFGAQY-UHFFFAOYSA-N 407.008 4.448 0 1 HIAF Cc1c(Cc2c(F)cccc2F)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O 40875276 AXBHSKYERWQJEG-UHFFFAOYSA-N 404.413 4.061 0 1 HIAF O=C1CN(C(=O)c2cccc(C(F)(F)F)c2Cl)CCN1CC1CCCCC1 59287560 ZCAGXQYONNDGMX-UHFFFAOYSA-N 402.844 4.224 0 1 HIAF COc1cc(C(=O)c2c[nH]c(-c3ccc(Br)cc3)n2)cc(OC)c1OC 72105279 HRYJJMQDEVGSAQ-UHFFFAOYSA-N 417.259 4.096 0 1 HIAF COc1cc2nc(NCCCn3ccnc3)nc(NC3CCCCC3)c2cc1OC 82136395 UUHAXOMDXXTCPD-UHFFFAOYSA-N 410.522 4.090 0 1 HIAF COc1cc(-c2nc(NCC3CC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC 82166848 MUZHHCOEUVMCAY-UHFFFAOYSA-N 410.474 4.263 0 1 HIAF CC(C)(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@H]1CCCO1 82179745 WYDHPIQKFQLECR-GOSISDBHSA-N 411.525 4.388 0 1 HIAF COc1cccc(N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)c1 96929498 WTEPEXIENVWZHL-UHFFFAOYSA-N 422.525 4.091 0 1 HIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC 104115926 AFSGVXHXQIRJOK-CFBLSMTOSA-N 421.295 4.331 0 1 HIAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4sccc4-c4ccccc4)C[C@H]3C2)n1 116822017 BVINMOXFXQBPAM-OALUTQOASA-N 404.539 4.030 0 1 HIAF c1ccc2nc(N3CC(c4nccnc4N4CC[C@@H](c5ccncc5)C4)C3)ccc2c1 140221626 WAILIMSCWGIAHN-HXUWFJFHSA-N 408.509 4.018 0 1 HIAF Cc1nc(N[C@@H](C)c2cccc(-n3cnnn3)c2)cc(-c2ccc3ncsc3c2)n1 143453921 GOLKXCKNXDSHEM-ZDUSSCGKSA-N 414.498 4.211 0 1 HIAF c1ccc2nc(N3CC(c4nccnc4N4CCC[C@H]4c4nccs4)C3)ccc2c1 144770760 JTLRUYCJJBICJI-IBGZPJMESA-N 414.538 4.427 0 1 HIAF COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169694939 JVBFQJWVXHSZFN-MOPGFXCFSA-N 411.523 4.306 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC(C)C)c3Cl)C2)cc1 169709860 IFIZNCAWKOQOLE-HNAYVOBHSA-N 417.937 4.377 0 1 HIAF COc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(C)=O)ccc1OCc1ccccc1Cl 169729877 LZSOLPNUSPRBNW-VQTJNVASSA-N 400.862 4.358 0 1 HIAF CC(C)(COc1ccc(-c2ccc(-c3ncc(CC(F)F)[nH]3)cn2)cc1)C(=O)O 204762103 UNZOCNRJOZXBTK-UHFFFAOYSA-N 401.413 4.436 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)ccn2)CC1 261150454 OTNDDPAOXYYHJK-IYARVYRRSA-N 415.969 4.317 0 1 HIAF CCOc1ccccc1[C@](N)(c1nc2cc(Cl)c(Cl)nc2[nH]1)C(F)(F)F 587093301 RWJXSBAADJDLQA-HNNXBMFYSA-N 405.207 4.428 0 1 HIAF N=c1[nH]c2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc-2c(Cl)[nH]1 587112790 ZPRDSLSVJOAQTK-UHFFFAOYSA-N 409.721 4.193 0 1 HIAF Ic1cccc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587183933 LQXFXBDTLCZNPH-AATRIKPKSA-N 418.234 4.499 0 1 HIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Br)ncc2[nH]1 587258294 FPYIOIOXQUDWRC-HNNXBMFYSA-N 424.302 4.292 0 1 HIAF CC(=O)OC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334895 MWRRMYYTNJPFHR-ISKFKSNPSA-N 424.399 4.488 0 1 HIAF CO[C@H](C)c1ccc([C@]2(CN)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587341135 XWADJMWBISKTIT-OJJCTEDXSA-N 421.468 4.452 0 1 HIAF CCOc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344082 BUELIATXJHQRFN-ZJSXRUAMSA-N 419.408 4.137 0 1 HIAF CN(C)CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587568391 CGDRDJZEPXETGD-QPPBQGQZSA-N 405.450 4.036 0 1 HIAF CC(=O)Nc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576770 IARJQTVUACCDIC-XUZZJYLKSA-N 401.418 4.154 0 1 HIAF COC(=O)c1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 587586428 CFJLPVNELVPZQN-XXBNENTESA-N 415.401 4.363 0 1 HIAF CCCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587597434 VEGOQSVAHOCEPK-SQJMNOBHSA-N 415.445 4.396 0 1 HIAF CC(C)(C)OC(=O)NCCc1c(-c2ccccc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650470 LTCLLKSXUYCIFO-UHFFFAOYSA-N 414.527 4.306 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nccn2C)(c2ccccc2)N1 587755706 QCUISPDYHUYVEB-SZNDQCEHSA-N 414.322 4.342 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587825943 CLDUTDWODBIFGT-AYLIAGHASA-N 408.267 4.302 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)([C@@H](O)c2ccco2)N1 587829735 RDQKPXLHGYBAHK-RIPJAXHCSA-N 406.251 4.286 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3[nH]nc(Cl)c3c2)N1 962695967 DUMXVJFZWRTTBR-LSDHHAIUSA-N 413.758 4.063 0 1 HIAF CCCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ncc(Oc2ccccc2OC)cn1 1772581838 WBAUSFZQQFMBCS-UHFFFAOYSA-N 421.453 4.028 0 1 HIAF COc1cc(OC)c(-c2cn3ccc(N4CCC(N(C)C)CC4)cc3n2)cc1Cl 1857549723 LOFSDAHNDNGCFK-UHFFFAOYSA-N 414.937 4.202 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cn1 1857752252 RWWSHFVSTSVLEC-UHFFFAOYSA-N 414.387 4.116 0 1 HIAF CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc21 13834592 DCVFIOLIQYKZMA-LJQANCHMSA-N 402.502 4.165 0 1 HIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2cc(O)ccc2[C@@H]1CN1CCCC1 26817529 QFXSXGDIYAVCMJ-NRFANRHFSA-N 419.352 4.463 0 1 HIAF Fc1ccc([C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Br)cc3)O2)cc1 28767232 HULMHEDWRLRAJV-OALUTQOASA-N 403.251 4.426 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3nccs3)n2)cc1 40933979 LXFJTNPLHVCZFR-UHFFFAOYSA-N 402.483 4.047 0 1 HIAF O=c1c2c(C(F)(F)F)nccc2nc(-c2cscn2)n1CCc1ccccc1 43067996 LNEHLQGPCMJMOI-UHFFFAOYSA-N 402.401 4.177 0 1 HIAF O=C(O)c1cn(Cc2ccc(-n3cnc4ccccc43)cc2)c2cccc(F)c2c1=O 45390793 KPANDRXFOCYOMT-UHFFFAOYSA-N 413.408 4.226 0 1 HIAF Cc1ccc(S(=O)(=O)N[C@H]2CCCCCCCCCCC(=O)NCCC2)cc1 103215460 JAZXESGVMWDPAF-FQEVSTJZSA-N 408.608 4.453 0 1 HIAF CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc(Cl)cc2)ncc1F 115090561 FXQAPNWZLUNJJP-UHFFFAOYSA-N 407.858 4.128 0 1 HIAF CCCCCOc1ccc(C(=O)N[C@@H](C)C(=O)N[C@H]2CCc3ccccc3C2)cc1 135766794 CVJUGGSXRCYDMH-AVRDEDQJSA-N 408.542 4.048 0 1 HIAF COC[C@H](C)NC(=O)c1cc(NC(=O)c2ccccn2)cc(-c2ccc(C)cc2)c1 142610931 CGFKGHBXIWQXSX-KRWDZBQOSA-N 403.482 4.074 0 1 HIAF CCCOc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167530844 WBNLYSMPCAIAJL-UHFFFAOYSA-N 417.509 4.281 0 1 HIAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1ccc(F)c(Cl)c1Cl)C2 219251256 MAFAIGHLVCMHGW-SECBINFHSA-N 420.275 4.208 0 1 HIAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1 299837806 LBCNVGUMRVTIJZ-UHFFFAOYSA-N 417.767 4.128 0 1 HIAF C[C@@H](C(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(-c2cccc3onc(N)c23)cc1 299862658 JZZVUNGBGHBTOG-CYBMUJFWSA-N 418.428 4.429 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 299877696 HSPZVPFUXRJCRH-SJIKZXFPSA-N 406.935 4.017 0 1 HIAF CN(C)c1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)c1 473114654 OGRGVSAACLPSGE-UHFFFAOYSA-N 419.550 4.079 0 1 HIAF Cc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2n1 586956921 ZKFHOEGEXWHQCA-UHFFFAOYSA-N 424.913 4.338 0 1 HIAF COC(=O)c1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984535 GOKBKCBBHUTPSP-GOSISDBHSA-N 414.303 4.297 0 1 HIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587122848 ZOBPAJONWVIDKQ-UHFFFAOYSA-N 414.343 4.316 0 1 HIAF C=C1NC(C)=Cn2nc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 587347135 OIBJOVKRMVGLHL-UPVQGACJSA-N 417.440 4.394 0 1 HIAF C[C@@]1(c2cccc(NC(N)=S)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378474 VLWAGXPIOZJDLX-OFNKIYASSA-N 422.481 4.461 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4c(Cl)cc(Cl)cc41)[C@@H](C2)C3=O 587423525 UZJPXLLZLPINES-YBTHPKLGSA-N 419.216 4.006 0 1 HIAF Cn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N2CCOCC2)cn1 587627585 DQJXJZHTYGUWPD-UHFFFAOYSA-N 418.341 4.443 0 1 HIAF CC(C)(C)[C@H]1OCC[C@@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655640 CDUHOYDARLKURI-XOBRGWDASA-N 412.436 4.433 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cccnc2Cl)N1 587708016 XKXDJHRJDATUMJ-CQJFTNOYSA-N 424.745 4.490 0 1 HIAF CCn1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C(F)(F)F 587714927 PYDRWPYDXPTZQT-CLAHSXSESA-N 406.221 4.447 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)[nH]c3ccccc23)N1 587792595 PIDAJAQMVISQSW-XLFHBGCDSA-N 403.251 4.391 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCCNC2)N1 587797915 SRQVADOOVJUEIQ-FNXXIHLHSA-N 403.339 4.366 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)O)(c3ccccc3)C2)N1 587820325 BCONDNTUXIUDHU-ASVYPPMBSA-N 404.279 4.134 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(F)c(F)c(N)c1F 587863905 DSBUMRTULMWOBL-UHFFFAOYSA-N 402.298 4.351 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2cccs2)n1 587869199 BXFOJYBMWOOCCM-UHFFFAOYSA-N 403.389 4.480 0 1 HIAF COC(=O)c1cc([C@@]2(c3ccccc3)c3cc(OC)ccc3CCN2C(C)C)c[nH]1 962093284 PKHCAOUWVLRRLR-VWLOTQADSA-N 404.510 4.368 0 1 HIAF CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12c1ccsc1CCN2Cc1ccco1 962711638 UEHQZPKPYPFZQI-UGKGYDQZSA-N 418.559 4.251 0 1 HIAF CN1C(=O)C[C@H]2CN[C@]3(c4ccccc4COc4cc(F)ccc43)c3cccc1c32 963025073 JJLSGFVCUUKUKS-LMKMVOKYSA-N 400.453 4.063 0 1 HIAF CCc1cc2c(cc1O)OC(C)=C(Oc1ccccc1)[C@@]21c2nn(C)cc2CCN1C 963956555 YKBCQJLMRCJRBY-VWLOTQADSA-N 417.509 4.123 0 1 HIAF COc1ccc(-c2cn3cc(C4=CCN(C(=O)C5CC5)CC4)ccc3n2)cc1OC 1857540384 QOCBKQSMYQQLSS-UHFFFAOYSA-N 403.482 4.044 0 1 HIAF CCCSc1nc(NCc2ccccc2)c2ncc(=O)n(Cc3ccccc3)c2n1 1857652557 OOWSBQTXIBNMFO-UHFFFAOYSA-N 417.538 4.349 0 1 HIAF CCN1CCN(c2ccc(Nc3ncc(Cl)c(=Nc4ccccc4C)[nH]3)cc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c1cccn1[C@@H]1C(=O)N(Cc2ccc(OC)cc2)c2ccc(Cl)cc21 206033595 SFBCIESRKWEVPD-NRFANRHFSA-N 424.884 4.463 0 3 HIAF CN1CC[C@]23c4c5ccc(-c6cc7ccccc7s6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 26569221 HHMZNHDLXGWDCU-PUBYQZPFSA-N 401.531 4.374 0 1 HIAF Cc1cccc(N(C)CC(=O)N2CCC[C@H](c3ccccc3)[C@@H]2CN2CCCC2)c1 29043667 QKUMCKLCZXXHIW-RPBOFIJWSA-N 405.586 4.302 0 1 HIAF CC(C)[C@H]1C(=O)N[C@H](c2ccc(NC(=O)CCCN3CCCC3)cc2)c2ccccc21 33823696 ZNEOVOXIFNNFTO-JWQCQUIFSA-N 419.569 4.460 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)O)n2cncn2)cc1 34296750 XVJXEKYLXFKVRG-QFIPXVFZSA-N 416.481 4.285 0 1 HIAF Cc1ccc(N2CCc3ncnc(NCCc4cccc(C(F)(F)F)c4)c3C2)nc1 35077854 MCKATWNAHWWXNX-UHFFFAOYSA-N 413.447 4.416 0 1 HIAF CCNc1noc2c(-c3ccc4c(N5CCOC[C@@H]5C)nncc4c3)c(C)ccc12 40424140 KBVAYGZXOAZDKK-HNNXBMFYSA-N 403.486 4.403 0 1 HIAF COC(=O)CNC[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 40575767 HFYYJWVQBFQKAK-AYVCNNPJSA-N 403.607 4.325 0 1 HIAF CC1=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)Cc2cn(S(C)(=O)=O)nc21 40655794 ZAKWQKHIANOUEX-KHHGUXELSA-N 418.603 4.014 0 1 HIAF CC(=O)N1C[C@H]2C[C@H]1CN2Cc1cc2cc(Oc3nc4cccnc4s3)ccc2o1 101656293 WPGBXAGVMGVJEH-CVEARBPZSA-N 420.494 4.035 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccc(C)c(C)c2)nn1C 103177566 AZNQMXBMSUJUKJ-RCCKNPSSSA-N 406.482 4.443 0 1 HIAF C/C=C\c1cc(OC)c(O[C@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 148647705 FLBWVIKFCMUTDS-KOZMZXJYSA-N 418.486 4.264 0 1 HIAF O=C(CCCCCCNC(=O)N1Cc2ccccc2C1)NCCCc1ccccc1 166880781 LTSUYGGAGZGMHO-UHFFFAOYSA-N 407.558 4.411 0 1 HIAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CCCN1Cc1ccccc1 201105289 QEPSJQMVAHUQMP-LLGBQNBKSA-N 418.581 4.498 0 1 HIAF Cn1cc(-c2cc3cnc(Nc4ccc(C(N)=O)cc4)cc3n2Cc2ccccc2)cn1 203799054 UUKFHUNCORVLCS-UHFFFAOYSA-N 422.492 4.328 0 1 HIAF COc1ccc(-c2nc3ccc(S(=O)(=O)O)cc3nc2-c2ccc(OC)cc2)cc1 218936558 KJEVDKYNUYDACX-UHFFFAOYSA-N 422.462 4.228 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3CC=C4C(=O)O[C@@H](O)[C@H]4[C@@]3(C)[C@@H](O)C[C@H]21 238767678 ATVQOEWPZTUPDT-HFFKPNHESA-N 402.575 4.444 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CC(=O)OC5(C)C)[nH]c4c3)o2)cc1 586908322 JVWZLUKBCNXINW-OAHLLOKOSA-N 404.426 4.098 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)C[C@H]2CCCC[C@H]21 587024947 CXZYWWWORQVKBJ-ZNOIYHFQSA-N 421.526 4.281 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3c(Cl)ccnc3[nH]2)[C@H]1c1ccccc1Cl 587061074 JEVRVRJUEDAGNY-SCLBCKFNSA-N 419.312 4.358 0 1 HIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)C(F)(F)C1 587132257 ONNYWJAOFDQPOF-QMMMGPOBSA-N 420.229 4.434 0 1 HIAF O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1)c1ccc(F)cc1 587170075 NTTNWTWRSULOQL-GOSISDBHSA-N 417.412 4.048 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCNc4ccc(Br)cc41)[C@@H](C2)C3=O 587418351 PLGRBFRDGTWMAU-YWZLYKJASA-N 400.272 4.306 0 1 HIAF CCCc1c(O)ccc2c1OC(c1ccc(O)cc1O)(c1ccc(O)cc1O)CC2=O 587489062 MOGWOSVPRLWSGY-UHFFFAOYSA-N 422.433 4.076 0 1 HIAF C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587553300 VGJKBJUTKLEAHE-MSVHQQNVSA-N 422.820 4.458 0 1 HIAF CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593025 BSEDMAGEXODRTR-OFVILXPXSA-N 418.445 4.429 0 1 HIAF COc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1OC 587655642 CEFMBDJGDMQQBP-UHFFFAOYSA-N 422.387 4.047 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCN(C)N=O)(c2cccnc2)N1 587756521 QZVJVAMWAQANFU-BFUOFWGJSA-N 421.314 4.154 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccccc3oc2=O)N1 587839781 GSGNOMZBFIRWCG-GIPWTMENSA-N 402.263 4.492 0 1 HIAF CCN(c1ccc(-c2csc(-c3ccc(NC(C)=O)cc3)n2)cc1)S(C)(=O)=O 587923538 VKWLTXSUJJCEMA-UHFFFAOYSA-N 415.540 4.221 0 1 HIAF COc1ccccc1-c1ccc2c(c1)CC[C@@H](CN(C)C)[C@@]2(O)c1cccc(O)c1 653821006 HTAYRDXHIXFQRU-LVXARBLLSA-N 403.522 4.428 0 1 HIAF COc1ccccc1C[C@H]1N2CCC(CC2)[C@]12NCCc1c(OC)ccc(Cl)c12 963259823 UWZTXUNDJIXTHG-VWNXMTODSA-N 412.961 4.035 0 1 HIAF COc1ccc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(OC)c1 1772622837 AHWHBOQIIOPNCM-PKNBQFBNSA-N 408.542 4.136 0 1 HIAF Cn1nc(C(C)(C)C)cc1N1C(=O)CC[C@]1(C)C(=O)Nc1ccc2ccccc2c1 95601265 IAWOMVQRHVXXMU-XMMPIXPASA-N 404.514 4.395 0 3 HIAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1ccccc1F 771768 QKOVVMBAWFEFMW-JTHBVZDNSA-N 422.456 4.268 0 1 HIAF COc1ccccc1CN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1 26272971 GIVUKPISYKLPHB-UHFFFAOYSA-N 424.566 4.312 0 1 HIAF CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 72141088 IJAKDSXXAILQSP-NJYVYQBISA-N 416.953 4.265 0 1 HIAF CC(C)=CCc1cc2c(cc1O)[C@]1(O)C(=O)c3cc(CC=C(C)C)c(O)cc3O[C@@H]1O2 85999722 BGTFTSPKFGACKH-RPBOFIJWSA-N 422.477 4.297 0 1 HIAF COc1ccc2c(c1CCCCO)OCCC[C@@H]2c1cc(OC)c(OC)c(OC)c1 95589498 NVWFJIBWNAVFRG-QGZVFWFLSA-N 416.514 4.341 0 1 HIAF CC(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 101597586 QZOOKXDESAXLGB-QZTJIDSGSA-N 408.527 4.115 0 1 HIAF Nc1ccc2c(c1)[C@H](O)[C@@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2 103232423 LNIMWHNBBWKUND-MZNJEOGPSA-N 409.505 4.415 0 1 HIAF CCN(C(=O)c1ccc(C(=O)c2cnc3ccc(Cl)nn23)cc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n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 253633026 GFWKHLGNTRIBOR-YBIQISJFSA-N 412.574 4.275 0 1 HIAF COc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(F)cc4)ncc23)ccn1 261123395 JVRFQVIACJDFMC-GFCCVEGCSA-N 406.421 4.050 0 1 HIAF CCN(CC)C(=O)Cc1c(-c2ccc(OCC(C)C)cc2)nn2c(C)cc(C)nc12 299864656 RSLTZFKCFHDSCB-UHFFFAOYSA-N 408.546 4.459 0 1 HIAF Nc1ccc(-c2ccc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c3c2)cc1N 586912546 GKIUJLXISZISLE-UHFFFAOYSA-N 400.482 4.196 0 1 HIAF Cc1nc(COc2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cs1 587020283 LKOYZSNEEKFZQE-UHFFFAOYSA-N 420.538 4.406 0 1 HIAF O=c1cccc(-c2nc3nc(Cl)ccc3[nH]2)n1CCOc1ccccc1Cl 587064101 MKYYOXREHJSQLF-UHFFFAOYSA-N 401.253 4.172 0 1 HIAF COc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1C 587064886 WQVLSGXFZPNKGW-UHFFFAOYSA-N 409.873 4.441 0 1 HIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)c(O)c2[nH]1 587079125 GOERRVCZQSFRRK-LBPRGKRZSA-N 405.683 4.408 0 1 HIAF CN(C)CCOc1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587223436 BEHFDGGPDRGQQB-IBGZPJMESA-N 402.539 4.259 0 1 HIAF O=C(NCCc1nc2cc(Br)c(F)c(F)c2[nH]1)OCc1ccccc1 587227844 AHPYNEGAMCMPLN-UHFFFAOYSA-N 410.218 4.073 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587238593 DPQLORQHYCJRBO-SAZGQGMLSA-N 407.461 4.396 0 1 HIAF O=C(/C=C/c1nc2c(Br)cnc(Br)c2[nH]1)Nc1ccccc1 587244989 UIUVQBJABZQXLX-VOTSOKGWSA-N 422.080 4.135 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccc(F)cc2)c1 587573352 VYPHHRHRBRDEAJ-XUZZJYLKSA-N 416.408 4.479 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(N)c(F)c2F)N1 587716044 DDKXFQPPZPJDKO-BWKAKNAASA-N 403.217 4.385 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCc2ccc(F)cc2)N1 587731660 HXOAMJWXCCFACO-YUNKPMOVSA-N 423.301 4.183 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)nc(N3CCCC3)c2)N1 587738685 QEWIYWZCNLWCNH-JEOXALJRSA-N 408.290 4.346 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C2/C(=O)N(C)c3ccccc32)N1 587773324 YHKZQRPRMYOFDV-IZAMGOIISA-N 415.306 4.398 0 1 HIAF COC(=O)c1ccc2c(c1)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587805183 HDBXYUWCFBBSOU-GIPWTMENSA-N 404.279 4.099 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCc2nnc(C)n2C1 587859825 MHPXYABKRYDUTM-GFCCVEGCSA-N 420.300 4.058 0 1 HIAF CC1=C(C)C[C@H]([C@]2(c3ccccc3)NCCc3nc4ccccn4c32)[C@@H](C(=O)O)C1 962984515 MWFATYAXQLXRDJ-RLSLOFABSA-N 401.510 4.171 0 1 HIAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCN(C(=O)OC(C)(C)C)C[C@H]2OC(C)=O 963233981 DQFWGSZEWZOGKT-NYQDVAGCSA-N 416.562 4.111 0 1 HIAF CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 1772608120 KHUQUWFRCNWUQH-WGSAOQKQSA-N 414.619 4.284 0 1 HIAF COC(=O)C=C(CC[C@@H]1[C@H](C(=O)OC)C=C[C@H]2C(C)(C)CCC[C@]21C)COC(C)=O 2356494093 RMNXDJMOHAWPAV-FDGPYGQJSA-N 420.546 4.237 0 1 HIAF Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2cccs2)cc1 4890097 OWRMEWIHLAKIBJ-QGZVFWFLSA-N 414.556 4.211 0 3 HIAF Cc1csc(N[C@@H](C)c2nc3cc(C(F)(F)F)ccc3n2CCOCCO)n1 12489945 OBWDVKLRMKIKDZ-LBPRGKRZSA-N 414.453 4.002 0 3 HIAF COC(=O)[C@H]1[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccccc2)[C@@H]1C 13816568 ZPWSMNJWLWWFPP-XWIAVFTESA-N 406.404 4.150 0 3 HIAF CS(=O)(=O)c1ccc(-c2ccc3c(c2)COCC(=O)N3CC2CCCCC2)cc1 205215461 RJSUWLWJJPIQBB-UHFFFAOYSA-N 413.539 4.201 0 3 HIAF Cc1ccc([C@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23COc2ccccc2C3=O)cc1 13144775 CYYZPJAXGZCLPS-SACAOSOOSA-N 424.500 4.133 0 1 HIAF Fc1ccc(N2CCN(C[C@H]3CN(Cc4ccccc4)c4ccccc4O3)CC2)cc1 13780737 GURFIWZWMOTTEH-DEOSSOPVSA-N 417.528 4.416 0 1 HIAF COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3cccnc3n2)cc1 28651038 GFGCEBMHHCXFNJ-UHFFFAOYSA-N 401.470 4.266 0 1 HIAF COc1cc(OC)cc(C(=O)N[C@@H]2CCN([C@@H](C)c3ccc4ccccc4c3)C2)c1 36351713 LNMOZVGTRGFUFP-HTAPYJJXSA-N 404.510 4.422 0 1 HIAF CC(C)(NCc1ncc[nH]1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 45191228 KSNUTZOOCURSDL-UHFFFAOYSA-N 408.893 4.246 0 1 HIAF Cc1cccc(C)c1OC(=O)[C@@H](C)[C@@H](O)C1(Sc2ccccc2)CCN(C)CC1 45193275 OBCRLNPUVSMFAN-SIKLNZKXSA-N 413.583 4.463 0 1 HIAF CCCN1CCN(C(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)CC1 57996192 YVPDFYZGEDENRO-UHFFFAOYSA-N 400.954 4.098 0 1 HIAF CN(C)Cc1ccc([C@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@H]2c2ccc(F)cc2)cc1 68201028 QOITWWGIMYRLSV-JTHBVZDNSA-N 414.484 4.423 0 1 HIAF CC(C)c1ccc(-c2cnn3cc(C(=O)NCCOc4ccccc4)cnc23)cc1 84725648 DSCRAQHAOFQTOW-UHFFFAOYSA-N 400.482 4.329 0 1 HIAF Cc1cccc(-n2ncc3c2C(C)(C)CCN(C2[C@H]4CC5C[C@H]2CC(O)(C5)C4)C3=O)c1 101668447 GDPNNZFTLYUMTF-CSIGTHSRSA-N 419.569 4.244 0 1 HIAF CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2ccco2)C1 104551639 PVBZQROJRCDVBX-YBJWPOLQSA-N 416.562 4.107 0 1 HIAF CCn1c(O)c2n(c1=O)[C@H](c1ccccc1Br)c1[nH]c3ccccc3c1C2 169723344 XCXHXZCOSZNIMG-LJQANCHMSA-N 424.298 4.161 0 1 HIAF CCOC(=O)[C@@H]1C(C)=NC(=O)N(C)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729868 XFYUVWXNUSVPAY-RTWAWAEBSA-N 410.470 4.021 0 1 HIAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN3CCCC3)c2)cc1 199938884 DIIWCMBMPVIGDC-UHFFFAOYSA-N 424.570 4.101 0 1 HIAF CN1[C@H]2C[C@H](OC(=O)/C=C/c3ccccc3)C[C@@H]1C[C@H]2OC(=O)/C=C/c1ccccc1 238731568 ZHJUOEJQLDHSBJ-IXWNSHLNSA-N 417.505 4.103 0 1 HIAF Cc1cc(C(=O)O)nc(N2C[C@H]3C[C@@H](c4cc(F)ccc4C(F)(F)F)C[C@H]3C2)n1 473119871 MYMRMQVWWLKYHK-XYYAHUGASA-N 409.383 4.271 0 1 HIAF CCOC(=O)Cc1c(-c2cccnc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987813 GZOCDGGHSKDYPY-UHFFFAOYSA-N 410.429 4.319 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587041115 CYNBJJYOWMDOPG-HNNXBMFYSA-N 422.432 4.263 0 1 HIAF O=c1cccc(-c2nc3c(Cl)cncc3[nH]2)n1CCOc1ccccc1Cl 587064829 VUVDAJVTAMNBBR-UHFFFAOYSA-N 401.253 4.172 0 1 HIAF Cc1cc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c(C)n1 587168118 SMMDQXXWINUCAU-UHFFFAOYSA-N 402.476 4.243 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2nccc(Cl)c2[nH]1 587181005 LAICQHCCYRMXAM-SSDOTTSWSA-N 401.639 4.050 0 1 HIAF Cc1nn(C)c(C)c1[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331828 QUKNLOSVBNPHLQ-UGKGYDQZSA-N 416.399 4.401 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4C4=C1CCC(C)(C)O4)[C@@H](C2)C3=O 587455532 ODTAGTQJCWYRTM-AVRWGWEMSA-N 402.446 4.378 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)ccc(O)c12 587531478 GOSLUHGAJPRFTP-SANMLTNESA-N 412.441 4.430 0 1 HIAF CCOc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587648653 CUFHBVVIRSZTPA-UHFFFAOYSA-N 411.401 4.220 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccc(N)cc3)C2)N1 587742549 AQBRVBLZLDWQRL-RKFVTTHHSA-N 417.322 4.437 0 1 HIAF CC(=O)C[C@@H]1C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822645 LTLHNSQVYPFRHF-PLTJGGDTSA-N 410.327 4.302 0 1 HIAF Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C(=O)O)=CO2 587839165 QVSQHBCEOWYYHJ-BIBXISHDSA-N 418.262 4.035 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cnn(C)c3)s2)N1 587853430 MXAVGPQOEJLIGJ-ABKXIKBNSA-N 407.312 4.069 0 1 HIAF c1ccc(-c2csc3ncnc(N4C[C@@H]5[C@@H](COCCN6CCCC6)[C@@H]5C4)c23)cc1 653758374 KQZZFJQHRKMMKY-PMOLBWCYSA-N 420.582 4.153 0 1 HIAF Cc1sc2c(c1C)CCN[C@@]21C[C@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 963009200 KTPNCLSFLSIFHE-OPAMFIHVSA-N 422.591 4.057 0 1 HIAF CCOC(=O)CCC[C@@]1(c2cccc(OC)c2)NCCc2c(OC)ccc(Cl)c21 963269483 JSOYPPNAVMZFOL-QHCPKHFHSA-N 417.933 4.480 0 1 HIAF COc1cc(-c2nc(-c3ccnc(C)c3)c3n2C[C@@H](C)OCC3)ccc1OC(F)F 1772644504 CPOSCCRHVADDBB-CQSZACIVSA-N 415.440 4.492 0 1 HIAF CC(=O)Nc1cc(-c2ccc(F)cc2)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12 61908522 SIMOAYSJRQNRAC-UHFFFAOYSA-N 423.469 4.169 0 3 HIAF O=C(O)Cc1cccc2c1O[C@H](c1ccccc1)[C@@](Cl)(C(=O)c1ccccc1)C2=O 1646824 FZHHXKOSWGNPIC-DNQXCXABSA-N 420.848 4.491 0 1 HIAF C=C1C[C@@H]2O[C@]2(C(=O)O[C@H]2CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)C1=O 5846436 KEHKYFDJRGIKNE-NWPLHWHGSA-N 424.537 4.097 0 1 HIAF O=C(OCC(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1C(=O)c1ccccc1 7097076 CYIDXEYRUJHRHM-ICSRJNTNSA-N 405.494 4.113 0 1 HIAF biogenic CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(OC(F)(F)F)cc2)cc1 13525173 XPKLFHUWSLTEEY-UHFFFAOYSA-N 416.808 4.495 0 1 HIAF COc1cc(Nc2nccc(-c3cnn4nc(C)ccc34)n2)cc(C(F)(F)F)c1 13582643 ZANNOGKZSUYAAD-UHFFFAOYSA-N 400.364 4.266 0 1 HIAF CC(C)n1cnc2c(Nc3ccc(Cl)c(Cl)c3)nc(N3CCC[C@H]3CO)nc21 27408036 ZPTAVVHUPQTZNT-ZDUSSCGKSA-N 421.332 4.419 0 1 HIAF Cc1cc(SC[C@H](O)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O 28704614 WPKVBEPEJQTIOB-CQSZACIVSA-N 416.417 4.009 0 1 HIAF CC(C)(C)c1ccc(C(=O)NC(=O)Nc2cccc([C@H]3CN4CCSC4=N3)c2)cc1 29395893 RFTUWUSCHKVPJN-LJQANCHMSA-N 422.554 4.406 0 1 HIAF O=S(=O)(Nc1nc2c(C3=CCNC=C3)cccc2o1)c1cc(Cl)ccc1Cl 40556619 VPDRWYUBWQAMJC-UHFFFAOYSA-N 422.293 4.436 0 1 HIAF CCOC(=O)COc1ccc2ccccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 40567948 YKALXIBBZZOQDQ-UHFFFAOYSA-N 424.449 4.039 0 1 HIAF O=C(NC1CCCC1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 40863162 PTQXBJBDBNSNKW-UHFFFAOYSA-N 416.506 4.361 0 1 HIAF CCc1cc(COc2ccc(N3CCN([C@H](C)C(=O)O)C3=O)cc2)c2ccccc2n1 40891946 JDBBASBPSJDEBH-MRXNPFEDSA-N 419.481 4.091 0 1 HIAF O=c1c2c(OC3CCC3)nccc2nc(-c2ccccc2O)n1CCc1ccccc1 43016153 ZKJXXEMCUBJMMC-UHFFFAOYSA-N 413.477 4.338 0 1 HIAF COc1cc(Br)c2c(c1)CCN2c1nc(Cl)cn([C@H](C)C2CC2)c1=O 43120880 KZDOIIBNZVBBES-SNVBAGLBSA-N 424.726 4.333 0 1 HIAF COc1cccc(C(=O)c2cnc(-c3ccccc3)n2S(=O)(=O)c2ccccc2)c1 64511915 MVSSNOYZDWRSNR-UHFFFAOYSA-N 418.474 4.027 0 1 HIAF CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)ccc32)no1 169119677 LGSLBZUSMUWDMR-UHFFFAOYSA-N 418.457 4.193 0 1 HIAF COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 169695373 JCYYMPXQRKTVFQ-FGZHOGPDSA-N 417.461 4.454 0 1 HIAF C[C@H]1CCCC[C@@H]1COc1cc(F)c(C(=O)NS(=O)(=O)C2CC2)cc1C1CC1 207148616 YMIBCYGHRXUZOT-DZGCQCFKSA-N 409.523 4.130 0 1 HIAF Cc1cc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880927 RBDCLUZSKHRAJK-UHFFFAOYSA-N 406.463 4.307 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1 586971252 PUMUNYYUBMSCAI-UHFFFAOYSA-N 417.600 4.378 0 1 HIAF Cc1nc(Br)sc1-c1nc2ccc(I)cc2[nH]1 587011796 RKBSRGDCOBQCTM-UHFFFAOYSA-N 420.073 4.362 0 1 HIAF CCOC(=O)c1cnn(-c2ccc(-c3nc4ccnc(C)c4[nH]3)cc2)c1C(F)(F)F 587115136 OYSGTCWWGAWWAV-UHFFFAOYSA-N 415.375 4.315 0 1 HIAF CC(=O)N[C@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(C)cc1 587207771 VKGDQBOXVLKZBX-CYBMUJFWSA-N 412.362 4.340 0 1 HIAF O=C(c1c(F)ccc(Cl)c1F)c1c(CO)oc2cc(Br)cnc12 587275478 AQIBLMMINSLHKZ-UHFFFAOYSA-N 402.578 4.245 0 1 HIAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587334927 NFXJQUUMONPPJV-FYYLOGMGSA-N 408.356 4.234 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]ccc1=NC(=O)OC(C)(C)C)CC2=O 587471901 WSYKVFLKXYZLFD-QHCPKHFHSA-N 412.486 4.389 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1S(=O)(=O)c1ccccc1)CC2=O 587486009 LAEVGNUVKXRWMS-NRFANRHFSA-N 411.479 4.090 0 1 HIAF COc1cc(CC(=O)O)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587524817 MXDKWAPMRDHOSL-XMMPIXPASA-N 410.466 4.090 0 1 HIAF CCOc1ccc(-c2nn(CCc3ccccn3)c(=O)c3ccccc23)cc1OCC 587668453 BYHMTTNQFZBSRA-UHFFFAOYSA-N 415.493 4.499 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N(C)c2ccccc2)N1 587754288 JKDQPGCXUNYWLO-RBZFPXEDSA-N 405.311 4.391 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCOCC3)c2)N1 587774476 ODJKTHFUNWNRRH-SPLOXXLWSA-N 419.338 4.223 0 1 HIAF COC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1C 621429296 ACEASLQCIJOYCO-LJQANCHMSA-N 409.482 4.260 0 1 HIAF Cc1cc([C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ncc1Br 962772324 VUFFDGRLJMWPLF-RHSMWYFYSA-N 413.237 4.062 0 1 HIAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(OCc2ccccc2)c1 962890043 AQQDXFXAFKSUPI-JTHBVZDNSA-N 407.441 4.102 0 1 HIAF CC1=C(c2ccccc2)Oc2cc(O)ccc2[C@@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962892838 HHQYMBYBAKMXKN-CPJSRVTESA-N 417.436 4.197 0 1 HIAF COc1ccc(NCC[C@]2(c3ccc(F)cc3)NCCc3c(C(=O)O)cccc32)cc1 963130428 IWHHZNKVEBEAPD-RUZDIDTESA-N 420.484 4.424 0 1 HIAF O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1 1857651914 YULOYCPWASTKEV-UHFFFAOYSA-N 413.974 4.497 0 1 HIAF C/C=C/c1ccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc1 1857762015 JGUSQLYXUGGEOI-SNAWJCMRSA-N 409.486 4.457 0 1 HIAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(-c4ccccc4)cc3)C(=O)C[C@@H]12 206390499 KNXBTECNMUDJBS-OAQYLSRUSA-N 410.473 4.267 0 3 HIAF CN1CCc2cc(Cl)c(O)cc2[C@H](c2cccc(I)c2)C1 5966850 DUTJKDUWCSYNLM-HNNXBMFYSA-N 413.686 4.270 0 1 HIAF CC[C@@H](C)C(=O)O[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 9211292 PCZOHLXUXFIOCF-NNSWECRASA-N 404.547 4.196 0 1 HIAF CCc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CO)o2)ccc1-c1cnco1 13490403 JQCDFWXFGNMWHZ-UHFFFAOYSA-N 418.453 4.258 0 1 HIAF COc1cc(-c2coc3c(CC=C(C)C)c(O)ccc3c2=O)c(OC)c2c1OCO2 14648421 MPXZANSYFFXBJX-UHFFFAOYSA-N 410.422 4.420 0 1 HIAF biogenic O=C(N[C@H](CO)c1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959189 BZOFGUPPOMCQER-HXUWFJFHSA-N 406.873 4.189 0 1 HIAF CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)SCCCc1ccccc1 27216548 OBUILUCOHWRGAN-QYZOEREBSA-N 401.572 4.264 0 1 HIAF CC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)C1 28572124 QSYYXXNSCFXCDV-FQEVSTJZSA-N 415.497 4.084 0 1 HIAF CN(C)c1ccc(NC(=O)c2ccoc2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40915881 CCRHXWNYOZWLTM-UHFFFAOYSA-N 403.482 4.405 0 1 HIAF O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCC1)c1cccc2cccnc12 58627086 PDCGUBKAAXXTPW-NRFANRHFSA-N 409.555 4.130 0 1 HIAF O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(-c2ccccc2)n[nH]1 66167013 UHTFCSINTBZLHP-SFHVURJKSA-N 401.445 4.209 0 1 HIAF CC(C)[C@H](Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1 72125907 IJGITWYHJMNRMO-FQEVSTJZSA-N 402.502 4.062 0 1 HIAF CC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 82045712 OVUOALQNCABCNU-PKTZIBPZSA-N 424.541 4.034 0 1 HIAF O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1 82158296 FTSNUVFQWWHUBK-UHFFFAOYSA-N 414.571 4.080 0 1 HIAF COc1ccc(-c2nc3c(NCc4cccs4)ncnc3n2C[C@@H]2CCCO2)cc1 82190016 KBENBPAVUXNOAB-KRWDZBQOSA-N 421.526 4.355 0 1 HIAF CN(c1ccc([C@@](O)(c2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 84690370 JMAHWDNJLLYEPP-FQEVSTJZSA-N 421.440 4.310 0 1 HIAF C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CCCCC2)C1=O 96273474 KHWIFQQLVWGQBG-IQGLISFBSA-N 420.509 4.157 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC2CCC2)c1C 103229868 RDIQKPSJBZYAJM-DZFIZOCASA-N 424.501 4.344 0 1 HIAF COc1ccccc1-c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1 103266997 OZOLNJQERDKPFN-OSYLJGHBSA-N 405.498 4.249 0 1 HIAF O=C(c1cccc(Cl)n1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 115657508 NZYPCLMJJXJKPY-JOCHJYFZSA-N 424.287 4.201 0 1 HIAF CCOC(=O)C1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 144755649 PLHOPPBTVYGGST-OAQYLSRUSA-N 405.416 4.245 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)/C=C/c2c[nH]c3ccccc23)cc1 473111384 YWXHMUDIHPQFMB-BUHFOSPRSA-N 410.477 4.332 0 1 HIAF O=S(=O)(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C1CCCC1 586925271 YGDICOVKLMJGLJ-UHFFFAOYSA-N 411.243 4.202 0 1 HIAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 586935341 FETQQWKQJKUYRA-GOSISDBHSA-N 414.918 4.440 0 1 HIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(F)c(F)c(F)c2[nH]1 586999641 AYJLVHTYYQLSHZ-NSHDSACASA-N 409.209 4.467 0 1 HIAF Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc12 587004768 YONYHRHAAKHCSA-LBPRGKRZSA-N 404.699 4.406 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccnc(Br)c2[nH]1 587167261 JRFAHQFUZKKLND-ZDUSSCGKSA-N 404.243 4.229 0 1 HIAF Cc1c(Br)ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 587234128 GRXRUAYTIRSNOZ-UHFFFAOYSA-N 424.339 4.289 0 1 HIAF Cc1ccc2c(c1)OC(=O)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358802 QKPGXKDADPDAAX-VWNXMTODSA-N 404.393 4.403 0 1 HIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(C)noc1C 587394549 HGJBZDBGLXZULC-NRFANRHFSA-N 408.454 4.476 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C[C@H](NC(=O)OC(C)(C)C)c4ccccc41)[C@@H](C2)C3=O 587431542 GXLZZJLDQPHZMV-LLJLJFOGSA-N 407.466 4.308 0 1 HIAF Cc1nc(Cl)c(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587554987 ZBCIFGRDGOBACT-CVEARBPZSA-N 417.248 4.370 0 1 HIAF O=C(O)c1[nH]c2ccc(F)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567237 CHDRFLZLWBSUCL-AVRDEDQJSA-N 419.364 4.414 0 1 HIAF CC1(C)Oc2ccc(C(=O)O)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587615251 FVTVKXDBOOFHHS-YADARESESA-N 418.401 4.119 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)OC(C)C)c(=O)c3ccccc23)c(O)c1 587667634 RMFDZRJPOFKZNX-MRXNPFEDSA-N 423.513 4.069 0 1 HIAF COc1cccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587744022 YPOFGQAQGONTDD-HPEKNQEASA-N 419.338 4.450 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(C(N)=O)CC[C@@]2(C)C3(C)C)N1 587751332 XUICUWLYDPOXQW-YRZPBDNOSA-N 409.343 4.019 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)c3ccccc3)C2)N1 587770731 SWUCVAWBEFGOPV-LHSJRXKWSA-N 417.322 4.254 0 1 HIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CC(=O)O 587808921 RKAUIHBQPARTOW-YBTHPKLGSA-N 422.294 4.022 0 1 HIAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cnc(C3CCCC3)s2)N1 962646066 WBTNGWALFRGKRI-HOCLYGCPSA-N 412.433 4.388 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2conc2Cc2ccccc2)N1 962704138 UMKIAVGFZJPCMF-RBUKOAKNSA-N 420.362 4.112 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc(O)c3ccccc23)N1 962709502 QUBVATNZMALESU-IEBWSBKVSA-N 405.347 4.392 0 1 HIAF CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C2CCCC2)c2c[nH]nc2c1 1857580802 WTFWXXWVUZPMIY-UHFFFAOYSA-N 403.479 4.321 0 1 HIAF O=C(NC1CCCC1)[C@H](c1ccco1)N1CCC(O)(c2ccc(Cl)cc2)CC1 95600414 BSWKRGAZAQVDHC-FQEVSTJZSA-N 402.922 4.017 0 3 HIAF COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N[C@@H]1c1ccc(Br)cc1 95605462 IKTURQLHDYXJIC-IEBWSBKVSA-N 420.328 4.023 0 3 HIAF CCCCNC(=O)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(C)=O 103048719 HLUVTNGAVGOMQG-FQEVSTJZSA-N 417.431 4.478 0 3 HIAF CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCC2)[C@H]1c1cn(C)c2ccccc12 2468769 YTNSPQYPXNHFGZ-DHIUTWEWSA-N 401.510 4.148 0 1 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4080277 WVDHYDWJNMTVKR-ICSRJNTNSA-N 411.914 4.392 0 1 HIAF O=C(N1CCOCC1)N1Cc2c(-c3ccc(F)cc3)ncn2-c2cccc(Cl)c21 13758933 BIVOUNRRHFBYKK-UHFFFAOYSA-N 412.852 4.104 0 1 HIAF COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2C[C@H]1c1ccccc1 13799487 YNZFNGNFBKOQRH-SQJMNOBHSA-N 419.521 4.460 0 1 HIAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2Cl)[C@H]2CCN(C=O)C2)cc1 28823645 CGLHUULHADPSJH-FQEVSTJZSA-N 414.933 4.043 0 1 HIAF COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(OC)c1 40401320 ZSAYMYVTTVUGHP-UHFFFAOYSA-N 405.483 4.102 0 1 HIAF Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)CC1 40951093 IVSZXUDAZZHELN-UHFFFAOYSA-N 422.548 4.079 0 1 HIAF O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ncccc2-c2n[nH]cc2[C@H]1C1CC1 45259203 DCRNJLSTBCJOLV-QGZVFWFLSA-N 420.416 4.151 0 1 HIAF Fc1ccc(CCNc2ncnc3c2nc(-c2ccccc2)n3C[C@H]2CCCO2)cc1 82186982 JEJYKTRDHDGRKD-HXUWFJFHSA-N 417.488 4.466 0 1 HIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccccc3Br)ccc12 96905444 AAZGLWHVKGAYIW-LJQANCHMSA-N 415.312 4.378 0 1 HIAF Clc1ccc(-n2cc(COCCCN3CCN(c4ccccc4)CC3)cn2)cc1 96916116 STBLFBLDGSWOEM-UHFFFAOYSA-N 410.949 4.255 0 1 HIAF CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@@H]1c1cccc(Br)c1 100704327 IWHFXDMOABKCRG-COOUDCDJSA-N 422.304 4.321 0 1 HIAF CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)[C@@H](C)CNC4=O)nc2ccccc21 117690022 DZZWBKKISQMUOR-AWEZNQCLSA-N 401.470 4.129 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(F)cc2[nH]1 586935586 IWCQTBLHHCYZLW-MRXNPFEDSA-N 407.536 4.092 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c([C@H](CSCc3ccccc3)NC(C)=O)nc2c1 586973892 RYAVAEWTKWZWPB-KRWDZBQOSA-N 417.918 4.114 0 1 HIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587075199 GKPDDBFSQLFJJO-UHFFFAOYSA-N 407.905 4.210 0 1 HIAF N[C@@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)cc1F 587142489 CGGPBIKTVHBRKC-LBPRGKRZSA-N 413.088 4.470 0 1 HIAF CC[C@@H](c1nc2ccc3ncccc3c2[nH]1)n1cc(I)c(C)n1 587184254 HAMRBLQTTBGEGW-HNNXBMFYSA-N 417.254 4.220 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C[C@H]1CCCO1 587198140 ZMTUGBWGZGDYSP-CYBMUJFWSA-N 415.412 4.378 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Cl)cccc32)[C@H]1c1ccc(F)cc1 587327520 GVPOQXNKNFOEAN-AVRDEDQJSA-N 409.800 4.391 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CC[C@]14CCN(C(=O)OCc1ccccc1)C4)[C@@H](C2)C3=O 587445343 VLUFTFLNGZOYPM-QTLGCAHFSA-N 419.477 4.004 0 1 HIAF CC[C@@H]1CCCCN1C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580846 FBQKFSZHQZYJSY-WONHAXNMSA-N 409.482 4.294 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1cccs1)CC2 587616282 ZRLKXIFOOLOAEL-LJQANCHMSA-N 421.474 4.090 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(Cl)ccc(F)c12 587734848 RVRBULFDVJFLGW-SKLCBMLGSA-N 413.649 4.111 0 1 HIAF CC(C)NC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587756509 QXLGYPOVQPVFIT-CWTRNNRKSA-N 405.311 4.350 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3ccccc3)nn2)N1 587761794 WGZITXRPYXYVFF-RBZFPXEDSA-N 415.310 4.026 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C(=O)OC(C)(C)C)CC2)N1 587771229 WCXKVSAIRFVOHZ-HXPMCKFVSA-N 411.315 4.472 0 1 HIAF CCOc1cc(CC(C)=O)c(OCC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587937997 PMWNZZOLOCOQPE-UHFFFAOYSA-N 408.454 4.166 0 1 HIAF Cc1ccc(COn2ccnc2[C@@H]2c3ccsc3CCN2Cc2cccn2C)cc1 962402369 ZRZHMWSPEJZAPC-QHCPKHFHSA-N 418.566 4.368 0 1 HIAF Cc1ccccc1-c1nc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)co1 962968695 DHKYZOABCTUEQM-KSSFIOAISA-N 404.800 4.270 0 1 HIAF COc1cc(N(Cc2cccc(Cl)c2)CC2CC2)cnc1C(=O)[C@H]1C[C@H]1C(=O)O 1772657092 ZTROSXLWASFTAV-ZWKOTPCHSA-N 414.889 4.064 0 1 HIAF COc1ccccc1Cc1cc(C)nn([C@H](C)C(=O)Nc2ccc(Cl)cc2)c1=O 1857544487 LIAXSWIXVVSOGE-OAHLLOKOSA-N 411.889 4.004 0 1 HIAF O=S(=O)(c1cnc2ccccc2c1)n1cc(C2=CCNCC2)c2cc(Cl)ccc21 1857603249 ZBFIESMRIOYFFJ-UHFFFAOYSA-N 423.925 4.457 0 1 HIAF CC=Cc1cc(OC)c(O[C@H](C)C(=O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 2356554609 STQNCEXOANEFDF-CYBMUJFWSA-N 402.443 4.110 0 1 HIAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@H]2[C@H]1O 2356603507 JIMBNUYQTGVXSH-MRQRVRMDSA-N 422.654 4.235 0 1 HIAF COc1ccc(-n2c(=O)c(NC(=O)c3ccccc3)c3n(c2=S)CCCCC3)cc1 2617578 KGPKGJFQWMLAOM-UHFFFAOYSA-N 421.522 4.356 0 3 HIAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl)N1CCOCC1 773272 UZEPYMFWEZKDQI-HKUYNNGSSA-N 423.271 4.083 0 1 HIAF O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccncc2)[C@H]1C(=O)c1cc2ccccc2o1 2840779 RNYAJCUSBIPWGN-GOTSBHOMSA-N 424.456 4.022 0 1 HIAF N#Cc1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccs3)c2=O)c1 25232573 NGODYGMQKQLMFA-SJORKVTESA-N 416.506 4.100 0 1 HIAF biogenic C[C@@H](CCc1ccccc1)NC[C@H](O)COc1ccc(CCOCC2CCC2)cc1 25967064 IYSSLVYNZYSAIT-OFVILXPXSA-N 411.586 4.396 0 1 HIAF COc1cc([C@@H]2C3=C(COC3=O)Nc3c2ccc2ccccc32)cc(OC)c1OC 71295633 FYNXEZQTZYIWDB-FQEVSTJZSA-N 403.434 4.234 0 1 HIAF O=C(c1ccccc1)N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72103184 GWOWVHYFEKMHDM-JOCHJYFZSA-N 409.892 4.422 0 1 HIAF CC(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCc1ccccn1 82185815 VWNZHDHZMPSXHP-UHFFFAOYSA-N 404.493 4.414 0 1 HIAF CCCCNC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc(F)cc1 82214893 MURKAUNXJHJCJX-UHFFFAOYSA-N 422.460 4.153 0 1 HIAF Cc1ccccc1S(=O)(=O)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)C(C)C 84706566 YRIRMNRRNPZVBT-GOSISDBHSA-N 401.450 4.369 0 1 HIAF CCCNc1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1 84742396 MHDJVKUWQFXOJB-UHFFFAOYSA-N 417.517 4.082 0 1 HIAF CC(=O)N1C[C@H]2C[C@@H]1CN2Cc1cc2cc(Oc3nc4cccnc4s3)ccc2o1 95597152 WPGBXAGVMGVJEH-HZPDHXFCSA-N 420.494 4.035 0 1 HIAF CC(C)(CO)NC(=O)[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1 101000709 RIKBHTBZXBFBQC-OKILXGFUSA-N 409.452 4.256 0 1 HIAF CN(C)c1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3ccnc3)c1)=N2 101150632 DDDRVKGHRFVCSK-UHFFFAOYSA-N 413.403 4.420 0 1 HIAF COc1ccc2[nH]c3c(=O)n(-c4ccc(Br)cc4)c(=S)[nH]c3c2c1 102139499 HYUIDYLPYUYLIZ-UHFFFAOYSA-N 402.273 4.301 0 1 HIAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4sccc4-c4ccccc4)C[C@@H]3C2)n1 116822015 BVINMOXFXQBPAM-RTBURBONSA-N 404.539 4.030 0 1 HIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3C[C@@](C)(C(F)F)Oc4ccccc43)cc21 143541029 IUESJXXRANWCSQ-ZHRRBRCNSA-N 415.440 4.265 0 1 HIAF CN1C(=O)[C@H](c2[nH]c3ccc(C(=O)O)cc3c2N=O)c2cccc(Br)c21 169729516 PVKHDYBJGIJIAB-ZDUSSCGKSA-N 414.215 4.135 0 1 HIAF COc1cccc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204150270 UTGWNSVMZBOYIX-UHFFFAOYSA-N 416.529 4.175 0 1 HIAF COc1cccc([C@@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)c1 206392436 ZQIOXLHZRIHQGJ-FQEVSTJZSA-N 402.479 4.475 0 1 HIAF CC1=CC(=O)[C@H]2C(C=O)=CC[C@H]3[C@@H]([C@@H](C)/C=C\[C@H](O)C(C)(C)O)CC[C@]3(C)C[C@H]12 207618305 ZCYAUPOUCSSQGA-HMRCBIGLSA-N 400.559 4.024 0 1 HIAF CCOc1ccccc1-c1nnc(COc2ccccc2/C=C2/SC(=O)NC2=O)o1 299826176 FOCGJBVWPIUVJT-GZTJUZNOSA-N 423.450 4.038 0 1 HIAF COc1ccc(-n2c(Sc3sc(N)nc3C)nc3ccc(C)cc3c2=O)cc1 299831856 OJDCZZZHHXWTOI-UHFFFAOYSA-N 410.524 4.201 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 299883190 QXSMWXUTFDQBEL-OFJUQXPPSA-N 418.896 4.094 0 1 HIAF CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc2ccccc2c1 584904767 BZENTEFFWGJVPW-NRFANRHFSA-N 408.567 4.373 0 1 HIAF in-vitro Cc1ccc(-c2nc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cs2)o1 587017745 YOUWHSHTAJJBIH-UHFFFAOYSA-N 404.455 4.314 0 1 HIAF COC(=O)c1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2c1OC 587020625 WHYNITRLUARNGA-UHFFFAOYSA-N 409.467 4.369 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cnc4ccccc4c3[nH]2)cc1 587041032 UDQYBFJRBGZTNT-IBGZPJMESA-N 404.495 4.398 0 1 HIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2N1 587124774 CHYGEEPONDOCAV-SREIQFSDSA-N 401.295 4.055 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)C[C@@H]1CCCO1 587197189 KZUNIFDRHSWQSS-JTQLQIEISA-N 401.841 4.411 0 1 HIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587203376 NBOZFKSPWJSFEW-UHFFFAOYSA-N 416.384 4.401 0 1 HIAF COc1cc2c(cc1OC)C(=O)N(Cc1cc3c4c(cccc4n1)CC3)/C(=C\Cl)N2 587209609 UGLKJCUMBOQWTM-NHDPSOOVSA-N 421.884 4.456 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)c(F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239628 MEEGBPXFEMNWRV-KAJFERSBSA-N 407.461 4.396 0 1 HIAF C[C@@]1(c2ccc(NC(=N)N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339372 TUMVIUYQWLNKOJ-REWPJTCUSA-N 405.429 4.111 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1C[C@@H]3CC[C@H](C1)N3C(=O)OCc1ccccc1)O2 587400939 RSECCQHVQRUTRI-CROMWVBPSA-N 420.509 4.491 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(=O)(=O)c1ccc(Cl)cc1)(C(C)(C)C)O2 587406356 BOJYPDQNWXPCIC-OAQYLSRUSA-N 421.946 4.455 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c(Br)c1Br)[C@@H](C2)C3=O 587417576 OAIBCKMJJVROTR-RMLUDKJBSA-N 413.065 4.037 0 1 HIAF COC(=O)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550278 WJPPCGOUMULXHC-NFBKMPQASA-N 424.836 4.466 0 1 HIAF C[C@]1(c2ccc(N3CCOCC3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614145 RHTLTXIWZOKPLF-NZQKXSOJSA-N 423.490 4.167 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2F)(C(F)(F)F)N1 587704725 JQSIYRVJSJBYIM-ANRSDYALSA-N 407.180 4.462 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cnn(C)c2)N1 587766329 VIUFCJPGQPCCFW-RBZFPXEDSA-N 400.295 4.148 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2c(c1)OCCO2 587863841 ARWQHXLQLLIFLI-UHFFFAOYSA-N 418.371 4.427 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587930899 HQGMXDXDFKMAJE-VGSWGCGISA-N 413.543 4.047 0 1 HIAF Cc1cc2c(cc1F)[C@@](C)(c1cnc3[nH]cc(I)c3c1)NCC2 962086919 BGIHGYYTWDZTGZ-GOSISDBHSA-N 421.257 4.024 0 1 HIAF CC(C)(C)[C@@]1(c2ccc(N)cc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962659165 FUOILRYPBFJBFQ-LOSJGSFVSA-N 403.526 4.205 0 1 HIAF C[C@@]1(c2ccc(-n3cccc3)cc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962716236 WIUQLCSOMJEUGT-CTNGQTDRSA-N 418.390 4.498 0 1 HIAF COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1Oc1ccncc1 1857597019 HGIZBKBOATYYAM-NVNXTCNLSA-N 421.272 4.311 0 1 HIAF COC(=O)[C@@H]1[C@H](O)CC[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccccc3)[C@H]12 2356411070 GSVHJKOPCZOBLY-CLKYHPIZSA-N 414.542 4.244 0 1 HIAF O=C(Nc1ccc2nc(C3CC3)n(Cc3ccc(F)cc3)c(=O)c2c1)c1ccco1 1363108 NGJSBDNGVRYJRC-UHFFFAOYSA-N 403.413 4.307 0 3 HIAF Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)nc1 4793586 YJAARKINEPWQCR-RPWUZVMVSA-N 424.504 4.431 0 1 HIAF COC(=O)/C1=C/C=C(/C(C)C)CCC2=CCC[C@](C)(OC2=O)[C@H](OC(C)=O)CC1 14445693 GCDVQIVAHBRSQZ-JMCMXBSOSA-N 404.503 4.196 0 1 HIAF CS(=O)(=O)c1ccc(N(Cc2ccco2)C(=O)Nc2ncc(Cl)s2)cc1 28134457 FKUBLTPVGJRVRS-UHFFFAOYSA-N 411.892 4.032 0 1 HIAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccc[n+]([O-])c4)cn3)[C@H]12 28823118 VRPCVIOWCYJTKZ-KMGVMBCXSA-N 404.510 4.399 0 1 HIAF CCC(=O)OCCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@H]32 28965252 BIPDXWDEEHZPLE-ZCYQVOJMSA-N 422.525 4.082 0 1 HIAF Cc1c(C(=O)N(C)C2CCCCC2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 34855206 KBONSJRUJBWMAK-UHFFFAOYSA-N 413.518 4.359 0 1 HIAF COc1ccc(CCN2CCC(C(=O)c3cccc(OCCF)c3OC)CC2)cc1 45496204 GWHHZSAHAOWCRM-UHFFFAOYSA-N 415.505 4.190 0 1 HIAF O=C(O)CNC(=O)/C=C/CCCCCCCC=C(Br)Br 53246870 SXRFQVLXOXJGHY-CSKARUKUSA-N 411.134 4.105 0 1 HIAF O=C(N1CCCC1)C(F)(F)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 66113093 FYXKSKQPCGSNKY-UHFFFAOYSA-N 413.390 4.484 0 1 HIAF CC(C)(C)OC(=O)N1CC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)C1 72102260 RVEIQXOZDBDUJW-GOSISDBHSA-N 407.436 4.399 0 1 HIAF CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1ccco1 82082187 QLZYLWDDUSPHLF-NRFANRHFSA-N 417.465 4.159 0 1 HIAF O=C(Nc1noc2ccccc12)N1CCCN(c2nc(-c3ccccc3)ns2)CC1 95584392 MQDPEPZXWZYTOC-UHFFFAOYSA-N 420.498 4.091 0 1 HIAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95601590 IDTCIEOXFGFTMA-YMVVMYQSSA-N 416.496 4.411 0 1 HIAF C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)SCC1(F)F 95602438 FHIOVECNBCMMAE-MRXNPFEDSA-N 414.840 4.038 0 1 HIAF O[C@H]1CC[C@H](Nc2nccc(-c3cnc4c(OCc5ccccc5)cccn34)n2)CC1 100634095 HSKWNXWRIGSISU-KDURUIRLSA-N 415.497 4.086 0 1 HIAF Cc1ccc(C(=O)COCc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C 101377474 WBCVMAVNUDRXKK-VXKWHMMOSA-N 403.478 4.159 0 1 HIAF O=C(O)[C@H]1CCN(c2ccc(C[C@H](C(=O)c3ccccc3)c3ccccc3)cc2)C1=O 101503364 NPWDCPUYWLSXFG-GOTSBHOMSA-N 413.473 4.333 0 1 HIAF O=S(=O)(c1cccc([C@@H]2CCOC2)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 143408952 RAEYAGONQNJXKR-CQSZACIVSA-N 417.914 4.069 0 1 HIAF Cc1nccc2nc(NC3CC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc12 144374122 WEZCNVYCRDZCHO-UHFFFAOYSA-N 411.456 4.234 0 1 HIAF COc1ccc([C@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)cc1 145421063 FULOVOPQENLVDA-HXUWFJFHSA-N 402.479 4.475 0 1 HIAF CN(C)CCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 169710683 ANTLEZNQXATWCC-IBGZPJMESA-N 423.538 4.293 0 1 HIAF CC1=CCN(c2nc3c(Cn4nc(C(=O)O)cc4C)cc(Cl)cc3s2)CC1 208136188 CFZDSSYDIBUSFR-UHFFFAOYSA-N 402.907 4.358 0 1 HIAF Oc1cccc([C@@H](O)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 586892446 RCHUPDSZZANHCB-CYBMUJFWSA-N 403.154 4.011 0 1 HIAF CCOc1cc(/C=C\c2nc3ccnc(OC)c3[nH]2)cc(Br)c1OC 586978503 UTJBQUBOMGORAY-WAYWQWQTSA-N 404.264 4.307 0 1 HIAF Clc1ccc(I)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 587183089 RBRPSSMSPJRBHY-UHFFFAOYSA-N 412.614 4.259 0 1 HIAF N[C@H](N=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587183251 BVQSCZIDKBKOCI-IEXSPKMKSA-N 404.211 4.062 0 1 HIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cn1 587247681 QAPBMOBCHVSYHM-UHFFFAOYSA-N 408.687 4.420 0 1 HIAF COC(=O)c1ccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)o1 587404194 PKCDHYPDUQFOAJ-NRFANRHFSA-N 407.422 4.242 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O 587424385 YMVLFMBPNYQNBZ-JUOHCQIYSA-N 401.409 4.015 0 1 HIAF COC(=O)c1sc2ncc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2c1C 587449552 BJRCCMMRGRCXFS-QRQCRPRQSA-N 409.463 4.063 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587575877 GROKYRGZBMUWIV-NFBKMPQASA-N 413.433 4.293 0 1 HIAF COc1cc2c(cc1OC)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598882 CBOADOOIERULHD-ZJSXRUAMSA-N 404.418 4.213 0 1 HIAF CCn1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587708939 GJCVVFXCVGXIPG-XXFAHNHDSA-N 420.248 4.453 0 1 HIAF CCn1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C(F)(F)F 587713928 OMUZRHWFJGGBNU-CLAHSXSESA-N 406.221 4.447 0 1 HIAF C/C(=C\[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587739204 GNUUIFOHXFYPQD-HUOFJMHOSA-N 404.327 4.226 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(C2CC2)N1 587754507 KDEWXLWYMSGXFC-NSPYISDASA-N 413.331 4.252 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(C2CCOCC2)N1 587778607 NIVWVRWTIPJOTO-XCLFUZPHSA-N 405.311 4.188 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c3nc(O)ccc23)N1 587779041 PUDLJSIWMHSQCQ-FVINQWEUSA-N 417.278 4.345 0 1 HIAF COc1cc(OC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587807348 NCWNYPGDSAZKFD-OVWNDWIMSA-N 410.283 4.238 0 1 HIAF C[C@H](O)[C@]1(c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 587847310 KGMHRIZGWOEDKE-GLSBUQGYSA-N 404.732 4.462 0 1 HIAF COc1ccc2nc([C@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)[nH]c2c1 962639665 LQPGXZMXVZLYMR-CJFMBICVSA-N 410.521 4.408 0 1 HIAF COc1cc2c(cc1OC)[C@@]1(CC(C)(C)O2)NCCc2cc3cccc(OC)c3nc21 963049221 VYJOPANYMZZWSR-RUZDIDTESA-N 420.509 4.211 0 1 HIAF Cc1nc(CC(=O)Nc2cc(C(=O)c3cn(C(C)C)c4ccncc34)ccn2)c(C)o1 1772626182 PWPNWTKIPWJMKG-UHFFFAOYSA-N 417.469 4.029 0 1 HIAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCN(c2ccccc2)CC1 2356293239 FBWPPJPHVSRBLE-OAHLLOKOSA-N 411.889 4.011 0 1 HIAF Cn1ccnc1[C@@H]1CCCCN1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 12431050 ZTWUCZBTBPRWPJ-INIZCTEOSA-N 405.424 4.140 0 3 HIAF CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](C2CCCCC2)[C@@H]1CCCO 13657002 OVGPSTMSQDBZRQ-HFMPRLQTSA-N 401.547 4.165 0 3 HIAF O=c1c(-c2cccs2)cc(-n2c(=O)[nH]c3ccccc32)cn1CCc1ccccc1 205859688 PLUCSBDTFSMPPW-UHFFFAOYSA-N 413.502 4.452 0 3 HIAF CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CCCC3)c2)cc1 3022666 BHHSTNAJJFDQMA-UHFFFAOYSA-N 404.507 4.422 0 1 HIAF CC(C)Oc1cccc(N2C(Nc3ccccc3)=Nc3ccncc3S2(=O)=O)c1 5835427 BMQQODUXTIJXJO-UHFFFAOYSA-N 408.483 4.177 0 1 HIAF O=c1[nH]c2ccc(-n3nccn3)cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1 34804258 LNJCLGSHZRMFDX-UHFFFAOYSA-N 424.508 4.243 0 1 HIAF CC(C)Oc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4ccnc(N)n4)cc3o1)CO2 40393602 KIWVNEOIVMYMPW-MRXNPFEDSA-N 402.454 4.373 0 1 HIAF NC(=O)c1cccc2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 40413050 OGWLBFFDIVAFSR-LJQANCHMSA-N 421.516 4.197 0 1 HIAF in-vitro CC(=O)Nc1ccc(C(=O)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 45188156 ZAXKLONANIQFMI-UHFFFAOYSA-N 422.916 4.245 0 1 HIAF COc1ccc(CNCc2coc(-c3ccc(Br)cc3)n2)c(OC)c1 72101400 NVHFSDLCASMCLU-UHFFFAOYSA-N 403.276 4.411 0 1 HIAF CC(C)CNc1ncnc2c1nc(CCc1ccccc1)n2CC[C@H]1CCCN1C 82221630 IZMQJYDNSIBMDV-HXUWFJFHSA-N 406.578 4.164 0 1 HIAF O=C(Nc1noc2ccccc12)C1CCN(c2nc(-c3ccccc3)ns2)CC1 95583472 UZITZPFAHWLNAE-UHFFFAOYSA-N 405.483 4.201 0 1 HIAF C[C@@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2)C12CC3CC(CC(C3)C1)C2 100623362 YHMQDALIZCNOLK-ILNVXBPSSA-N 408.590 4.295 0 1 HIAF Cc1nc(C#N)c(-c2cc(C(=O)N3CC(F)(c4ccc(C#N)cc4)C3)c(C)cc2C)[nH]1 219082014 LUHCJJPIFBAXMQ-UHFFFAOYSA-N 413.456 4.066 0 1 HIAF C[C@H]([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)[C@H]1C[C@H]1C(=O)O 299848572 SPBCVLSZAPVLJN-HHURPIHNSA-N 404.591 4.334 0 1 HIAF C[C@@H]1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(Cl)c1Cl 473101907 LEKYBEUSNCUHQO-LLVKDONJSA-N 405.260 4.436 0 1 HIAF CC1=C(C(N)=O)[C@H](c2cccc(C(C)C)c2)N2NC(SCc3ccccc3)=NC2=N1 473137813 ZSJMEPCYGWNFCS-FQEVSTJZSA-N 419.554 4.090 0 1 HIAF CCCC(Br)(CCC)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586971584 VESRPAVYDORDMB-UHFFFAOYSA-N 402.358 4.004 0 1 HIAF CCN1C(=O)C[C@@H](c2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@@H]1c1ccccc1Cl 587061195 LDNSCBALBGAIEY-SZNDQCEHSA-N 408.889 4.178 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc12 587127464 YBPGDVPPGLSFKX-QUBYGPBYSA-N 415.217 4.200 0 1 HIAF Fc1ccc(I)cc1-c1nc2c(Br)ccnc2[nH]1 587182657 MLEXAPSNYAMJSH-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF Nc1ncccc1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587254545 MFXWMFQCCFQMIH-UHFFFAOYSA-N 409.287 4.472 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 587327944 IPYRZKHDWUWSOJ-DENIHFKCSA-N 409.800 4.391 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCN(c3ccccc3)C(=O)C2)[C@H]1c1ccc(F)cc1 587343325 JRUCOEDCABPJAX-ZCYQVOJMSA-N 417.436 4.456 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1nc4cc(C(F)(F)F)ccc4n1C)[C@@H](C2)C3=O 587422575 OWKOMZRPJJRFHK-RBZFPXEDSA-N 402.372 4.264 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 587488553 PQCCREVSKPPGQK-BKTORNKPSA-N 401.503 4.468 0 1 HIAF O=C1C[C@H](c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2c1ccc1c2CCCC1 587532824 OYGWFLRPKNPLPZ-JOCHJYFZSA-N 411.523 4.056 0 1 HIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NCCc1ccccc1 587661201 LCKCCFPABHUDAH-UHFFFAOYSA-N 403.482 4.168 0 1 HIAF COC(=O)[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587699498 KSYMFMNOIRGPQE-YPMLDQLKSA-N 412.686 4.192 0 1 HIAF CCn1cc([C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587713092 CICBSWXTDIKFKQ-HUTHGQBESA-N 402.258 4.156 0 1 HIAF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](N=O)C2 587740420 JZIMUFUIXZPYOR-AXXDXXKNSA-N 405.267 4.066 0 1 HIAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COC(C)=O 587804643 CAXUEIGXNUEYKF-YBTHPKLGSA-N 422.294 4.284 0 1 HIAF Cc1ccc([C@]2(/C=C/C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587829666 RYPHLCHMZOBASC-JLWJJTIXSA-N 404.279 4.315 0 1 HIAF COc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCCO2 587832717 CDGRPDJIDCAWMP-BIBXISHDSA-N 422.294 4.382 0 1 HIAF COC(=O)[C@H]1[C@@H]2[C@@H](OC(=O)C=Cc3ccccc3)[C@@H](C(C)C)CC[C@@]2(C)CC[C@H]1O 2356411073 GSVHJKOPCZOBLY-SAWYCSSESA-N 414.542 4.244 0 1 HIAF COc1cc([C@H]2OC[C@@H]3[C@@H]2CC[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 2356470598 HERNELJRDZIRJX-MGTSEIBWSA-N 416.470 4.014 0 1 HIAF COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 2487487 IIPUSXIFLHXHLK-JOCHJYFZSA-N 424.541 4.104 0 1 HIAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1N 4036698 OFEYQCKEDOLAPU-VWNXMTODSA-N 415.493 4.076 0 1 HIAF NC(=S)N(O)Cc1ccc(OCc2csc(-c3ccc(Cl)cc3)n2)cc1 13604013 WFLDLVBHNYLYJK-UHFFFAOYSA-N 405.932 4.477 0 1 HIAF Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1 22933664 XIBTUZZUCSZXOR-UHFFFAOYSA-N 400.526 4.221 0 1 HIAF CCC(=O)N(c1ccccc1)C1CCN(C(=O)C[C@H](N)c2ccc(Cl)cc2)CC1 28703166 RTWWFKMLFAMEJB-NRFANRHFSA-N 413.949 4.164 0 1 HIAF C[C@H](OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@H]2N(C)C1)[C@@H](C)O 29483824 UDRQASHQXVJFFN-ZEIJNTJCSA-N 410.558 4.029 0 1 HIAF COc1c(-c2cc(C)nc(C)c2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 35090205 BGJYJHMNNGVNLK-UHFFFAOYSA-N 411.458 4.478 0 1 HIAF Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4CCO)cc2)c1 36176979 GRWZZLSYMYWWDR-UHFFFAOYSA-N 401.470 4.230 0 1 HIAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1Cl)[C@@H](CO)C(C)(C)O2 45188105 MJIRVNPSHKSGSP-BEFAXECRSA-N 422.308 4.447 0 1 HIAF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2cccc(OCc3ccccc3)c2)cc1 45227869 VJHSVZTVCILNNH-DFBJGRDBSA-N 419.521 4.306 0 1 HIAF O=C(Oc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1 49021638 DPZKEIWOADCWJT-UHFFFAOYSA-N 419.325 4.440 0 1 HIAF CC(C)=CCC/C(C)=C/CC(Cc1ccccc1)(P(=O)(O)O)P(=O)(O)O 64426714 OXRGXZAVSOSXAT-FOWTUZBSSA-N 402.364 4.364 0 1 HIAF COc1ccc(-c2ccn(CC3(C(=O)O)CC3)c2-c2ccc(C(N)=O)cc2C)cc1 71295385 GBSPBDHCRSAWGH-UHFFFAOYSA-N 404.466 4.103 0 1 HIAF O=C(c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CCC[C@@H](CO)C1 82069407 JEBZYQOEGLBPDY-SNVBAGLBSA-N 422.325 4.224 0 1 HIAF c1csc(CNc2ncnc3c2nc(-c2ccoc2)n3CCN2CCCCC2)c1 82190280 FREFFJKZWYRSER-UHFFFAOYSA-N 408.531 4.246 0 1 HIAF COC(=O)[C@H]1C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C 95556520 AWDBWNSWVGTRMV-RDGATRHJSA-N 410.473 4.185 0 1 HIAF NC(=O)c1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1 95576605 XWEYHHVLSKSIJG-UHFFFAOYSA-N 424.504 4.035 0 1 HIAF COCn1c(-c2ccccc2)nc(-c2ccc(F)cc2)c1-c1ncnc2nc[nH]c12 95580397 DECMYQMYXLBUBX-UHFFFAOYSA-N 400.417 4.293 0 1 HIAF O=C(O)c1cc(-c2ccc(Br)cc2)nc2c1cnn2Cc1ccncc1 95581166 GXIDMEYNRRPROK-UHFFFAOYSA-N 409.243 4.002 0 1 HIAF COC[C@H](C)Oc1cc(CCc2ccc(F)cc2)cc(C(=O)Nc2ccn(C)n2)c1 95596778 DPICTJISJBPYGJ-INIZCTEOSA-N 411.477 4.010 0 1 HIAF COc1ccc(C[C@@]2(CCC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)CCC(=O)N2)cc1 102690198 IMCMZJRXGLXBQE-NGXZDTIWSA-N 412.574 4.094 0 1 HIAF COC1=C[C@@]23C=C[C@H]1[C@@H](c1ccccc1)C2=C(C)C(=O)N3C(=O)NC1CCCCC1 102953944 IPVTXSSBFHSCEP-ZJCBTPCYSA-N 404.510 4.440 0 1 HIAF Cc1nc2cccc(-c3cc4c([nH]3)[C@H](Cc3ccc(Cl)cc3)CNC4=O)c2nc1N 143347086 JRYFWOLNIOKGSO-CQSZACIVSA-N 417.900 4.239 0 1 HIAF c1ccc(-c2csc3ncnc(N4CCC(CNCCN5CCCC5)CC4)c23)cc1 146558589 ZFVGGLXRCKUNAF-UHFFFAOYSA-N 421.614 4.260 0 1 HIAF COc1ccccc1CN1CCN([C@@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 169326383 ZFZCYZQMZHCUPD-UIOOFZCWSA-N 402.538 4.288 0 1 HIAF CCOc1cccc2ncc(Cc3c(=O)[nH]c(C)c4cc(OC)c(OC)cc34)cc12 169703368 WDFLJGFOMFMOSP-UHFFFAOYSA-N 404.466 4.391 0 1 HIAF COC(=O)/C=C\c1ccc(C[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 198627780 ADUGIAIXXZLOTM-CGXXKNBTSA-N 407.432 4.146 0 1 HIAF CC(C)c1noc(N2CCC(C[C@H](F)CNc3ccc4c(c3)C(=O)CC4)CC2)n1 203529073 PJFKOYKGTDRSHX-KRWDZBQOSA-N 400.498 4.379 0 1 HIAF CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)o1 299877043 GQVJCKBBXNGZDU-DMVQIIBLSA-N 415.486 4.383 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 299884333 SWGYVGTXKHCPCJ-OFJUQXPPSA-N 418.896 4.094 0 1 HIAF CC(=O)N[C@@H](Cc1nc2c(C)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 586986013 UFKYJJAPIDUZAN-ZDUSSCGKSA-N 407.699 4.102 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(=O)O)cc3[nH]1)N2 587031131 LUKBIFVNYBJWTP-QOUOVQQFSA-N 414.512 4.388 0 1 HIAF CC1=C(c2ccc3nc(CCCOc4ccc(Cl)cc4C)[nH]c3c2)NNC(=O)C1 587066756 RGBHLHGHNHDLGL-UHFFFAOYSA-N 410.905 4.292 0 1 HIAF CCOC(=O)Cc1c(C(=O)OCC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097847 OLHXSRRKNLFADJ-UHFFFAOYSA-N 403.434 4.037 0 1 HIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(F)c1 587145501 XVUABUQCVGLHKP-UHFFFAOYSA-N 417.396 4.374 0 1 HIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2nc(Br)c[nH]c-2n1 587191965 PWYRKZHOOLSCMH-CYBMUJFWSA-N 418.295 4.023 0 1 HIAF COc1ccc(N)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1OC 587332299 FXSIVEBBTFYQQM-RDPSFJRHSA-N 423.440 4.405 0 1 HIAF COCCn1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587345511 ZVYXYEHMWIOZPX-VWNXMTODSA-N 424.472 4.265 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCN(C)C)(c1ccc(Br)cc1)O2 587370081 BILNGMMTOUMSKT-HXUWFJFHSA-N 403.320 4.152 0 1 HIAF COc1cccc([C@@]2(c3ccc(C(=O)O)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587404275 WDFAHVBYPKADHJ-DEOSSOPVSA-N 403.434 4.193 0 1 HIAF CC[C@H](C(=O)O)n1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587430274 GFFTYLTUVWGMSU-OSWMTFESSA-N 405.450 4.348 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1cnccn1)c1ccccc1 587587628 NOHMXQYHWTXBCP-RDGATRHJSA-N 410.429 4.282 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3sc(N)nc23)N1 587853556 AFHOCRJJDYOMGM-DYBLOJMWSA-N 406.324 4.578 0 1 HIAF CC[C@H](C)N1CCN(CCNC2CCN(c3cccc(-c4ccccc4)c3)CC2)CC1 618009337 BFXRNOLCPIDCFV-QHCPKHFHSA-N 420.645 4.328 0 1 HIAF COc1ccc(C[C@H](OC(=N)O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653755719 XASTWLYYCDRFBL-SFHVURJKSA-N 414.458 4.085 0 1 HIAF CCOC(=O)CC[C@@]1(c2ccc(CN3CCC3)cc2)NCCc2cc(C)c(F)cc21 962095300 WQCRHSCHQZJVQY-VWLOTQADSA-N 410.533 4.072 0 1 HIAF CC1=C(C)C[C@H]([C@@]2(c3ccccc3)NCCc3nc4ccccn4c32)[C@@H](C(=O)O)C1 962984525 MWFATYAXQLXRDJ-ZYLNGJIFSA-N 401.510 4.171 0 1 HIAF CC(C)CCOc1cccc2occ(CN(CCO)C(=O)Nc3ccccc3)c(=O)c12 1772620877 IPWUUAKOYVEDSG-UHFFFAOYSA-N 424.497 4.244 0 1 HIAF COC(=O)C=C(OC)[C@@H](C)[C@H](O)C=Cc1csc(-c2csc(C(C)C)n2)n1 2356618620 BHOYNBJAHBSDKO-SWLSCSKDSA-N 408.545 4.104 0 1 HIAF C[C@](O)(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 26009413 DNYCEXVCJFBDSF-ZWKOTPCHSA-N 412.704 4.034 0 1 HIAF CCCCOc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)C(C(C)C)C(C)C)cc1 26267478 KOVXCNLQGCCIQP-UHFFFAOYSA-N 407.580 4.460 0 1 HIAF CC1CCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)CC1 34375643 UZWDLFXGQMRURD-UHFFFAOYSA-N 417.509 4.073 0 1 HIAF C/C(=C\CC/C(=C/C[C@H]1OC(=O)C=C1CO)CO)CC[C@@H]1C(C)(C)CCC[C@@]1(C)O 40943470 BYAXMGMKQCMKDN-VAFJPBGPSA-N 420.590 4.223 0 1 HIAF Cc1ccccc1-n1ncc2c1C(C)(C)CCN(C1[C@H]3CC4C[C@@H]1CC(O)(C4)C3)C2=O 95591570 MKPLGVXEMMRGTK-OMXRJYKRSA-N 419.569 4.244 0 1 HIAF COC(=O)N1C=CC=C([C@@H]2C(C(=O)OC(C)C)=C(C)N=C(C)/C2=C(/O)OC(C)C)C1 100050509 DBNWOXVVSYCKCE-ZMESVYRVSA-N 418.490 4.019 0 1 HIAF Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@](O)(c4ccccc4)C4CCCCC4)[C@H]3C2)cc1 101453851 RRPNHEZEDXDNBE-WSKLTFMVSA-N 404.554 4.014 0 1 HIAF C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCN(Cc4ccccc4)CC3)[C@@H]2CC/C(C)=C/CC1 101485784 OQBCSYQAFVLXSV-XOTZPUAYSA-N 408.586 4.429 0 1 HIAF CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccccc4F)ncnc32)CC1 103259070 NRMGBBHVPQWZJS-UHFFFAOYSA-N 413.453 4.330 0 1 HIAF COc1cc(OCc2ccccn2)ccc1/C=C/c1cc(/C=C/c2ccnn2C)[nH]n1 208988848 AUHOWEZDFIXGHY-QGHYKFKQSA-N 413.481 4.467 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4ccc(F)c(F)c4)ncc23)ccn1 219760993 KOCXRWPBRHJLCK-LBPRGKRZSA-N 408.412 4.489 0 1 HIAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@H](C)O)CN(C)[C@@H]1C2 253633023 GFWKHLGNTRIBOR-GVGUFMMESA-N 412.574 4.275 0 1 HIAF O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(Br)s3)cc2)CC1 261143344 NKPTYQMBWUYYNN-XYPYZODXSA-N 424.320 4.301 0 1 HIAF NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nccc(-c3ccccc3)n2)CC1 299868612 RXDGECARKHPONY-SSPYTLHUSA-N 414.553 4.309 0 1 HIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)cc1 586930471 FEPYTHYEXCQQFA-UHFFFAOYSA-N 412.902 4.412 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(F)c2[nH]1 586936376 MBRHWOKJFSUGIH-MRXNPFEDSA-N 407.536 4.092 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(F)cnc3[nH]2)c1 587047840 ADMQSCNXWLHFDF-VOTSOKGWSA-N 401.829 4.141 0 1 HIAF CCOC(=O)c1cc(Br)c2nc(-c3n[nH]c4c(F)cccc34)[nH]c2c1 587176722 PVARUFSVADZKHD-UHFFFAOYSA-N 403.211 4.185 0 1 HIAF O=C(O)CCN(CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Cc1ccccc1 587193207 FJQMWTMFAPTTBB-UHFFFAOYSA-N 409.383 4.240 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cccc(Cl)c32)[C@H]1c1ccc(F)cc1 587328898 KRHPLJYFEDDAKW-AVRDEDQJSA-N 409.800 4.391 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)cc(F)c32)[C@H]1c1ccc(F)cc1 587328998 BQKKXSOVVBKGQJ-AVRDEDQJSA-N 411.335 4.016 0 1 HIAF COc1cc2c3c(c1)O[C@H](C1(c4ccccc4)CCC4(CC1)OCCO4)[C@@H](C2)C3=O 587452853 MCUAHPUBMUOWPJ-CVDCTZTESA-N 406.478 4.066 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1cccc(C2OCCO2)c1 587619564 YEPIJKIYKKBJSS-IFMALSPDSA-N 418.445 4.401 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCSCC2)o1 587620605 ZWCCZIAVVJRFJC-OFNKIYASSA-N 423.490 4.237 0 1 HIAF COc1ccccc1OCc1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587651912 HBMFVGYLBXCBNJ-UHFFFAOYSA-N 420.852 4.326 0 1 HIAF O=C(CCc1ccc2c(c1)OCO2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657831 AIENVGKCQTYCHD-UHFFFAOYSA-N 416.408 4.204 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2Br)N1 587684619 ZFLWYKKDCLMARY-XLKFXECMSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3ccc(Cl)cc32)N1 587699138 PSCGALNAIXAUFJ-LZVRBXCZSA-N 410.670 4.329 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(N3CCOCC3)c2)N1 587720772 UAUCWLPCSKJYLT-FKIZINRSSA-N 423.301 4.188 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(F)cc(Cl)cc12 587737866 HWIGUVWNCWLKKW-IWEMQMMOSA-N 413.649 4.111 0 1 HIAF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](N=O)C2 587740425 JZIMUFUIXZPYOR-LARMWNDWSA-N 405.267 4.066 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)NC(=O)OC(C)(C)C)N1 587753554 HOLGKYGJFVMSBD-MEBBXXQBSA-N 401.320 4.467 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3cccn3)cc2)N1 587761455 UNXIBPUAAGCXJM-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795262 IFHFIABERDKLPL-ZUOKHONESA-N 406.295 4.238 0 1 HIAF COc1ccc([C@]2(CC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587811074 UXIAFAZZPVIKEZ-ODXCJYRJSA-N 406.295 4.354 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC[C@@H]3CO3)cc2)N1 587835981 YFFMJUFNHPONKF-RRBXVBTKSA-N 406.295 4.164 0 1 HIAF CN(c1ccc(-c2csc(COc3ccc(F)cc3F)n2)cc1)S(C)(=O)=O 587924005 YEGWJOIKYYBHQF-UHFFFAOYSA-N 410.467 4.063 0 1 HIAF COc1ccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@@]2(O)c2ccc(C)cc2)cc1F 653793031 YJHCCDRRMFBTFX-XMMPIXPASA-N 422.431 4.377 0 1 HIAF COc1cc2c(cc1OC)[C@](CC(=O)C(F)F)(c1ccc(C)s1)N(C)[C@@H](C)C2 962630991 IWPPBQKIGYLKOD-LAJNKCICSA-N 409.498 4.418 0 1 HIAF CCOC(=O)CCC[C@]1(c2ccccc2OCC)c2ccsc2CCN1C(N)=O 962713640 PCBVDHQVJSSPAM-QFIPXVFZSA-N 416.543 4.061 0 1 HIAF O=C([C@H]1Cc2ccccc2[C@@H](c2cn3cc(Cl)cc(Cl)c3n2)N1)C(F)(F)F 962728380 DXPYMVCFGSIZCP-HIFRSBDPSA-N 414.214 4.376 0 1 HIAF CCCc1ccc([C@@]2(C[C@@H](C)CC(=O)O)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962915097 ANXLOZZUWMCJMR-OQHVVPOVSA-N 413.489 4.122 0 1 HIAF Cc1ccn2c([C@H]3N[C@@H](C(=O)O)Cc4cc(C(F)(F)F)c(Cl)cc43)cnc2c1 963189947 XORWCWNHBWDZEW-PBHICJAKSA-N 409.795 4.003 0 1 HIAF O=C(c1c(O)cc(O)cc1Nc1ccnn1C1CCCCC1)N1Cc2cccnc2C1 1857602188 GYMNQOVEELONEP-UHFFFAOYSA-N 419.485 4.094 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H](CC(=O)CN[N])[C@]4(C)CC[C@@H]32)C1 2356871136 XXWKTKJWDCUYLJ-DWWPRKQWSA-N 400.563 4.030 0 1 HIAF O=C1NCN(c2ccc(F)cc2)C12CCN([C@@H]1Cc3cccc4cccc1c34)CC2 26402093 KJXGSCVSIAVYKU-JOCHJYFZSA-N 401.485 4.005 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCCCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 27210424 PMUKNWYLXYGRRU-JOCHJYFZSA-N 424.497 4.081 0 1 HIAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CCN)ccc21 28952210 FREYAGVFUSDSEF-UHFFFAOYSA-N 419.573 4.329 0 1 HIAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2cnnc21)OCc1ccccc1 29482182 RBHJHXIYWNQBFW-QFIPXVFZSA-N 409.449 4.043 0 1 HIAF CCN(CC)C(=O)[C@H]1CCC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@@H]3CC[C@]12C 34801309 SLZJMEMEWDUTRZ-JJUKPPQNSA-N 403.611 4.127 0 1 HIAF Cc1cn(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12 84614437 MIOOLADVEXMJRX-UHFFFAOYSA-N 419.554 4.288 0 1 HIAF Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)c1 95875563 AJFGPRMGCHYGQR-CCDWMCETSA-N 421.585 4.005 0 1 HIAF COc1cc2c(cc1OC)/C(=C\c1ccc(C(=O)Nc3ccccc3)cc1)C(=O)N2 101434439 CTGZVUMCEWLEON-XDHOZWIPSA-N 400.434 4.449 0 1 HIAF O=C(CCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)NO 114300667 ZJAVSTVARDWKDN-UHFFFAOYSA-N 404.829 4.220 0 1 HIAF COc1cc(CC(COCc2ccccc2)COCc2ccccc2)nc(OC)n1 169353934 ZTTYYXZMFFCESY-UHFFFAOYSA-N 408.498 4.086 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@H]3c3cccs3)sc2c1 169692342 RISPKVKBGICOLK-DLBZAZTESA-N 422.487 4.415 0 1 HIAF COC1CCC2(CC1)Cc1ccc(-c3cc(F)ccc3C)cc1[C@]21N=C(N)N(C)O1 169700357 HMIWEFCAUJPAMA-PBSMCPNCSA-N 409.505 4.277 0 1 HIAF CC1=NC(=O)N[C@@H](c2ccc(OCc3ccccc3)cc2)[C@@H]1C(=O)OCC(F)(F)F 169729890 FMSSAOIOPAOJCC-MSOLQXFVSA-N 420.387 4.213 0 1 HIAF COC(=O)/C=C\c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 299854528 ADUGIAIXXZLOTM-UNZBNRTISA-N 407.432 4.146 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@H](C)c3ccc(C)cc3)nc2c1 586892981 YPEPDSCYXAJHFB-DIFFPNOSSA-N 403.276 4.258 0 1 HIAF CC(C)Oc1cc2[nH]c(-c3cccnc3SCC(=O)O)nc2cc1Br 586967405 WBSGSRKJIHSDCB-UHFFFAOYSA-N 422.304 4.351 0 1 HIAF N[C@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(Br)cc1 586997344 PXYWWVUVVVUUHT-GFCCVEGCSA-N 413.088 4.470 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cnc4ccccc4c3[nH]2)cc1 587041033 UDQYBFJRBGZTNT-LJQANCHMSA-N 404.495 4.398 0 1 HIAF O=C(O)c1cc(F)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587081933 YRGDEMBEQVTUEE-UHFFFAOYSA-N 407.792 4.430 0 1 HIAF COc1nccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 587165566 DEWFPSLKMCFIJZ-UHFFFAOYSA-N 414.444 4.443 0 1 HIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(I)c2[nH]1 587174458 JLCMWMPFPGKJCF-CYBMUJFWSA-N 420.229 4.030 0 1 HIAF COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@@H](c1ccccc1)O2 587407823 FDNKTBYKUQWIBE-RCZVLFRGSA-N 415.445 4.149 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)c(F)c1)(C1CCNCC1)CC2=O 587465214 BXYDRYCQDUELSC-HSZRJFAPSA-N 401.453 4.483 0 1 HIAF COc1ccccc1-n1nccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583044 SYLNQYCEYYFLIX-ZJSXRUAMSA-N 414.417 4.289 0 1 HIAF COC(=O)C[C@]1([C@H](C)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597302 XZZVMYZYPSHJKW-QOFFVNHYSA-N 418.445 4.459 0 1 HIAF C[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599111 ZTLKCIOJDNOXKZ-RDGATRHJSA-N 417.461 4.106 0 1 HIAF CN(C)C(=S)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587612066 IQFFIXWYQDDWEL-UGKGYDQZSA-N 421.474 4.320 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=O)c3cccs3)c(=O)c3ccccc23)c(O)c1 587670790 SDAHONBCFAUMIF-UHFFFAOYSA-N 419.506 4.365 0 1 HIAF Cc1ccc2oc(N)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587743755 FJSNCUNFOLRURM-XTZNXHDOSA-N 417.278 4.209 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc3ccccc3c12 587792652 LVTUBVPALLZHQM-MQJDWESPSA-N 411.274 4.471 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798627 PQECVVVLHUVXBF-RNODOKPDSA-N 406.295 4.238 0 1 HIAF COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1O 587805669 HDBRGKIBBAIJLD-APBUJDDRSA-N 410.283 4.109 0 1 HIAF CCOc1nc2sccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587854306 DCHPUZILNYSUFT-YMTOWFKASA-N 410.312 4.320 0 1 HIAF CN(CCCN1CCC2(CC1)Cc1ccccc1O2)[C@H]1CCCC[C@@H]1N1CCCC1 621443154 WHFVUUAIQZHFGA-ZEQRLZLVSA-N 411.634 4.185 0 1 HIAF COC(=O)c1ccc(F)cc1[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962639538 QRGNZKAOVLXXGA-BWKNWUBXSA-N 416.496 4.449 0 1 HIAF O=C1C[C@H](c2ccccc2Cl)C[C@@]2(C1)N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963240913 ZXIJFOHXUAXTDJ-BEYHJKFUSA-N 420.896 4.219 0 1 HIAF Cc1csc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@@](C)(F)CC3(F)F)c2)n1 1772629777 JOQPMLZUFXKUND-DLBZAZTESA-N 414.428 4.392 0 1 HIAF CCOC(=O)c1c(C)nc2c(O)c(Br)cc(Br)c2c1C 1857772195 OUNVEYROSCEHQW-UHFFFAOYSA-N 403.070 4.259 0 1 HIAF CC(C)C(=O)OCC1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 2356653709 ILGOTJMUMBDLFG-SOBIFYLYSA-N 422.562 4.102 0 1 HIAF c1ccc(CO[C@@H]2CO[C@@H]3[C@H](NCc4ccc(-c5ccccc5)cc4)CO[C@@H]23)cc1 2356871448 YBDVCZUJQMFVNM-POTDNYQPSA-N 401.506 4.195 0 1 HIAF CS(=O)(=O)c1ccc(-c2cnn(Cc3ccccc3)c(=O)c2-c2ccccc2)cc1 3814533 DLKXEUZPQFMNLH-UHFFFAOYSA-N 416.502 4.029 0 1 HIAF Cc1cnccc1C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12 118393398 VSSOJTPOJHCKOA-HXUWFJFHSA-N 416.460 4.166 0 1 HIAF Nc1ccc2c(-c3ccncc3)c(-c3cccc(I)c3)[nH]c2n1 26990852 NIMHPYRVDHKYEO-UHFFFAOYSA-N 412.234 4.479 0 1 HIAF CC(=O)N(C(=O)N=[S@@](=O)(c1ccc(C)cc1)N(C)C(C)=O)c1ccc(Cl)cc1 25976239 OIDWVSWKRTVNBZ-NDEPHWFRSA-N 421.906 4.042 0 1 HIAF CC(=O)N1CCc2cc(NC(=O)[C@]3(C)CCN3Cc3ccc(C(C)C)cc3)ccc21 61903147 PBXCLXOOTUTQNL-VWLOTQADSA-N 405.542 4.322 0 3 HIAF CC(=O)Nc1cc(-c2cccc(F)c2)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12 61926788 DELFLPGJXRBLKO-UHFFFAOYSA-N 423.469 4.169 0 3 HIAF O[C@H]1CCCCC[C@@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22927563 RVUQSGISTJEQPF-FTJBHMTQSA-N 422.613 4.351 0 1 HIAF O=C1C[C@H](c2ccccc2)c2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2)O3)O1 13382675 BQCMJSOAYSMFJF-AEFFLSMTSA-N 402.402 4.245 0 1 HIAF biogenic Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49109519 VORZMLWIEYTBEN-JPYJTQIMSA-N 422.548 4.439 0 1 HIAF BrC(Br)(Br)c1ncc(-c2ccccc2)cn1 45367916 NLMVTNQQGRMRPC-UHFFFAOYSA-N 406.903 4.439 0 1 HIAF CCOC(=O)c1ncn2c(NCc3c(F)cccc3OC)ncc(-c3ccccc3)c12 1911580851 LNTAFVKHGSPPGY-UHFFFAOYSA-N 420.444 4.333 0 1 HIAF COc1ccccc1CCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccccc1 82133734 KBXAOZGAPPMZHP-UHFFFAOYSA-N 416.525 4.479 0 1 HIAF O=C(O)c1cn(Cc2ccc(-c3ccccc3Cl)cc2)c2c(c1=O)[C@@H](O)CCC2 49073366 VUBYDDCPVRSCLP-FQEVSTJZSA-N 409.869 4.285 0 1 HIAF CCN1CCC[C@@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cc(OC)ccc32)C1 49037577 ANKIDBINXHGJGY-QGZVFWFLSA-N 416.518 4.279 0 1 HIAF COc1cc2nc(NCC3CCCCC3)nc(NC[C@@H]3CCCO3)c2cc1OC 82125205 GYRFBUJYMMPMJE-INIZCTEOSA-N 400.523 4.230 0 1 HIAF Fc1cccc(CNc2cncc(-c3ccnc4[nH]c(C5=CCNCC5)cc34)n2)c1 220345814 SWVISHPNKAKDMU-UHFFFAOYSA-N 400.461 4.148 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(CCN)c3ccccc23)N1 587753803 CDFHQTNIHKHRQV-ASSNKEHSSA-N 416.338 4.299 0 1 HIAF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(O)cc2[nH]1 587140072 BFMGNYWTBYEIEQ-QGZVFWFLSA-N 411.886 4.127 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3nc(Cl)c[nH]c-3n1)N2 587031136 LURIJQKMZUEBPA-AMAGOZFHSA-N 406.924 4.085 0 1 HIAF Cc1c(-c2nc3c(O)c(Br)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030073 WSCAVJCXKAKLQE-UHFFFAOYSA-N 417.288 4.181 0 1 HIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(F)cnc(Br)c2[nH]1 587112219 DPCHWTCBQFNQGV-JTQLQIEISA-N 403.177 4.121 0 1 HIAF COc1ccccc1CNC(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587623338 QGVCSXFRGHJGQL-UHFFFAOYSA-N 413.275 4.054 0 1 HIAF C[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1nc(C(F)(F)F)cc1C1CC1 587651387 ILVCYTWMJJYOEV-SECBINFHSA-N 410.783 4.044 0 1 HIAF C[C@@H](Oc1ccc(F)cc1F)C(=O)c1c(CO)oc2cc(Br)cnc12 587275964 IOHKFRWYIIGMJY-MRVPVSSYSA-N 412.186 4.011 0 1 HIAF COC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804962 GATHJGVOURNHAZ-QAJFTPDKSA-N 406.295 4.175 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CN3CCOCC3)c2)N1 587777171 ZNLXZENTTIDIOI-LHSJRXKWSA-N 419.338 4.044 0 1 HIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 587199072 YQTAWDCJGCVFGG-UHFFFAOYSA-N 408.458 4.241 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)n(C)n2)N1 587712269 KHAOLBQZWJNHJD-VXJOIVPMSA-N 406.221 4.138 0 1 HIAF Cc1ccc(-n2cnnc2SCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1Cl 586968762 VUZSSIGULZKWCQ-UHFFFAOYSA-N 417.853 4.235 0 1 HIAF CCn1cc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587342230 MFYOGOQQRQUJFL-XWJITYEGSA-N 421.472 4.077 0 1 HIAF C[C@]1(Cn2cc(C(F)(F)F)ccc2=O)c2ccsc2CCN1Cc1ccco1 962701200 CWHXAXHXKMYSKO-IBGZPJMESA-N 408.445 4.495 0 1 HIAF COC(=O)c1ccc(F)cc1[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962639551 QRGNZKAOVLXXGA-SQJMNOBHSA-N 416.496 4.449 0 1 HIAF CN(C)CCOc1cccc([C@@]2(C)c3ccsc3CCN2Cc2cccn2C)c1 962371701 HJRFQSJNKVLEKB-DEOSSOPVSA-N 409.599 4.349 0 1 HIAF COc1c(C)cc([C@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1C 962713494 UULNZJKYKLJNRC-PXNSSMCTSA-N 411.395 4.332 0 1 HIAF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCCC[C@H]2C)cn1 1772639235 STLVAHIPHWAEBN-FZKQIMNGSA-N 407.345 4.437 0 1 HIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC(=O)[C@]12C 13783773 OHXPGWPVLFPUSM-ZOEQPJRBSA-N 402.531 4.073 0 1 HIAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4049444 BCIZNGDAPSYZNH-CTNGQTDRSA-N 417.912 4.029 0 1 HIAF O=C(Nc1nc2c(s1)CCCC2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 13123781 OOIIANIFWVIHLY-SMDDNHRTSA-N 411.453 4.168 0 1 HIAF c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)nc1 26574732 ZUXITOJFACOGFP-UHFFFAOYSA-N 413.525 4.216 0 1 HIAF CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C)cc2)CC[C@@H](N(C)C)C1 60325924 LYGXTKJBXJMAQL-MRXNPFEDSA-N 414.596 4.328 0 1 HIAF CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(OCC)c(OCC)c1)[C@@H](OCC)C2=O 84422554 QMMBOSQGNREFSP-GOTSBHOMSA-N 416.470 4.310 0 1 HIAF C/C(=C\c1ccccc1)CN(CC[C@@H]1CCCN1C)C(=O)c1ccc2c(c1)OCCO2 84604728 GTCPVFWDKLPXPL-JVIWHDFBSA-N 420.553 4.488 0 1 HIAF COCO[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccc(Br)cc1 96286443 SWQHVRSNSNSTAN-OALUTQOASA-N 402.292 4.186 0 1 HIAF CC(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 100979862 OWBWYJOKGKPNOZ-ZIAGYGMSSA-N 403.832 4.412 0 1 HIAF CC(=O)OCC1=CCC[C@@H]2[C@@]1(COC(C)=O)CC[C@H](C)[C@@]2(C)CCC1=CC(=O)OC1 138136018 QFOVBSYLEHDSPP-LIUBOXQOSA-N 418.530 4.135 0 1 HIAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1cccc(C(F)(F)F)c1C)C2 219539964 AUCXWPLWZJTPTQ-NSHDSACASA-N 415.419 4.089 0 1 HIAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C)c(Br)cc3[nH]2)cc1 586942088 ZTZFJDBFLZHHKX-FPLPWBNLSA-N 420.332 4.033 0 1 HIAF CC(C)Oc1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 586952489 DTPTZWYAFMPPDT-UHFFFAOYSA-N 414.512 4.274 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 586957782 FCKSHBSCHSSWJY-KKXDTOCCSA-N 416.934 4.306 0 1 HIAF O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587328398 AHRUSYFWVVEDKR-OFNKIYASSA-N 410.372 4.095 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(F)c(F)cc1C(=O)O)[C@@H](C2)C3=O 587423956 MBFTVULLOXSKRY-XDHUDOTRSA-N 422.383 4.363 0 1 HIAF CC[C@@H](C(=O)O)n1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587430277 GFFTYLTUVWGMSU-YLNUKYHNSA-N 405.450 4.348 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(CSc4ncccn4)c1)[C@@H](C2)C3=O 587451065 IZWYEXNKXFPUCA-SBUREZEXSA-N 420.490 4.146 0 1 HIAF CCCCCS(=O)(=O)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587451763 ZQOBWGUBMMGMKI-GCJKJVERSA-N 400.496 4.148 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(NC(C)=O)cc1)CC2=O 587470810 OPCURFDZALAMEO-HSZRJFAPSA-N 411.454 4.029 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(OC(F)(F)F)ccc12 587505489 LIHIFXWQRJMREX-HXUWFJFHSA-N 403.356 4.277 0 1 HIAF C[C@]1(CSc2nnnn2-c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532766 OIAILHKMJBQIKU-JOCHJYFZSA-N 406.511 4.057 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cnccn2)N1 587730992 GMMIKACYQXYHJH-ODXCJYRJSA-N 416.269 4.343 0 1 HIAF CCOc1cc(C=O)c(OCC)n1C[C@@H](c1cccc(Br)c1)N(C)C 587940359 OPQKKGDCFKCTNB-KRWDZBQOSA-N 409.324 4.163 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(COc3ccc(F)cc3F)o1)NCC2 962927850 FCNXJNWRFJNXGM-JOCHJYFZSA-N 412.436 4.074 0 1 HIAF Oc1ccc2c(c1)[C@](c1ccc(F)cc1)(c1ccc(CN3CC=CC3)cc1)NCC2 963352970 OCPXDNPBVCZYQJ-AREMUKBSSA-N 400.497 4.341 0 1 HIAF CC(C)c1sc(N(C)CCO)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F 1857539104 BPOWIMJQKVYGHZ-UHFFFAOYSA-N 405.417 4.105 0 1 HIAF Nc1c(NC(=O)OC2CC2)cc(F)c(NCc2ncc(C(F)(F)F)cc2F)c1F 1857563181 RXFHWYZARXCHKU-UHFFFAOYSA-N 420.313 4.423 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@@H](CC(=O)CN[N])[C@@]4(C)CC[C@@H]32)C1 2356871138 XXWKTKJWDCUYLJ-SHMGPBLASA-N 400.563 4.030 0 1 HIAF COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 774003 XBODQLPXOFVHRW-MOPGFXCFSA-N 422.481 4.059 0 1 HIAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4049037 IMFXGXVIAMNINI-OYRHQHFDSA-N 414.505 4.333 0 1 HIAF CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@@H]1O3 13474869 KBGAIKLFNZYVGJ-DEOSSOPVSA-N 405.498 4.026 0 1 HIAF CCCCN1C(=O)[C@H]2Cc3c(n(C)c4ccccc34)[C@H](c3ccc(OC)cc3)N2C1=O 13527949 ZBQSUATWBDAJKO-YADHBBJMSA-N 417.509 4.265 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1 13611982 FADBMGBZPIJMIQ-UHFFFAOYSA-N 418.341 4.473 0 1 HIAF COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 19597969 GGYPQASSDFABHE-UHFFFAOYSA-N 408.410 4.071 0 1 HIAF C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)Nc1ccccc1)OCO3 25984839 NJJNAUXXYDRGQR-HNNXBMFYSA-N 414.465 4.229 0 1 HIAF O=C(NC[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1)c1cccs1 26186950 ALEDMDHEKHHSMX-OAQYLSRUSA-N 404.491 4.339 0 1 HIAF CCCCC(=O)O[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 27981063 DFJYFYDMJKZJIN-NAWUPNOKSA-N 404.547 4.340 0 1 HIAF Cc1ccc(N2CNC(=O)C23CCN([C@H]2CCCC[C@H]2c2ccccc2)CC3)cc1 28564262 VXKZVESPFFFPCX-ZEQRLZLVSA-N 403.570 4.450 0 1 HIAF CN(Cc1ccccc1)[C@H]1CCCN(c2cc(NC(=O)c3cccs3)ccn2)C1 45301560 RYWPADQCCIAQPU-FQEVSTJZSA-N 406.555 4.496 0 1 HIAF O=C(c1cn2c3c(cccc13)OC[C@@H]2C1CCCCC1)N1CCN2CCCC[C@H]2C1 64560331 ZFXQUUUELIZMGT-SIKLNZKXSA-N 407.558 4.465 0 1 HIAF O=C(NCc1ccccc1Cl)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82140949 BXIVUZWHMGEIHM-UHFFFAOYSA-N 410.880 4.466 0 1 HIAF COc1ccc(CCc2ccc(N3C(=O)c4ccc(N(C)C)cc4C3=O)cc2)cc1 95552241 FUHFWUHWTBORMD-UHFFFAOYSA-N 400.478 4.347 0 1 HIAF CCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO 95874465 WHIDLAPBXJGMLF-NZORINFMSA-N 404.554 4.018 0 1 HIAF O=C1CCCCCCCCCCCN1CCNS(=O)(=O)c1ccc(Cl)cc1 103218273 BPMNGXCXEWFMFS-UHFFFAOYSA-N 414.999 4.362 0 1 HIAF OC[C@@H](O)CN1[C@H](CCc2cccc(F)c2)CCC[C@@H]1CCc1cccc(F)c1 103297256 BKWPMHODLGTZRK-VXNXHJTFSA-N 403.513 4.107 0 1 HIAF CN1CC(C(=O)N[C@H](CCc2ccc(Cl)c(Cl)c2)c2ccccc2)=C(O)C1=O 141953224 VPYLKFQPBRAZQH-GOSISDBHSA-N 419.308 4.068 0 1 HIAF CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21 143680865 AUOVZVGMTHSCGO-UHFFFAOYSA-N 410.909 4.025 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@@]4(C)[C@@H]3CC[C@]21C 169713500 JPOAJVXSZNVFCE-VSFOKVPXSA-N 406.586 4.282 0 1 HIAF COc1ccccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](NC(=O)C=C(C)C)CC1 253636956 XWMBKNKEKPQNSA-PGCGBBBBSA-N 420.553 4.388 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299877201 GVTDUFDOSJYLTD-RGMHLJPOSA-N 402.535 4.129 0 1 HIAF COc1ccc(S(=O)(=O)Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 586920230 GCOXCANAUILUAE-UHFFFAOYSA-N 408.479 4.124 0 1 HIAF Cc1nccc2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc12 586967972 HZQITFVAWDSBGF-ZIAGYGMSSA-N 420.542 4.115 0 1 HIAF CN(C)/C=C/[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335040 JCXWFBSKBVBYSS-OSOQIECSSA-N 404.441 4.256 0 1 HIAF C[C@@]1(Cn2nc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336640 ZAVLKURSJMGXOZ-KXBFYZLASA-N 422.243 4.247 0 1 HIAF O=C1c2ccc(O)cc2OC2(CC(C(=O)O)(c3ccccc3)C2)[C@H]1c1ccc(F)cc1 587348494 CSBAIPPOVGCLIV-ANYOXOOPSA-N 418.420 4.445 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cnc4c(Br)cc(Cl)cn14)[C@@H](C2)C3=O 587418261 TUBYUSRJOPVQEC-GTNSWQLSSA-N 419.662 4.248 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CN4CCC[C@@H](C)C4)c1)[C@@H](C2)C3=O 587439831 WTZVTUGELNXAPI-LYWOYCCESA-N 407.510 4.424 0 1 HIAF COc1cc2c3c(c1)O[C@](C(=O)c1ccccc1)(c1ccc(C(C)=O)cc1)[C@@H](C2)C3=O 587445046 HIMYRFJKVQNTJA-HFZDXXHNSA-N 412.441 4.424 0 1 HIAF CC(C)(C)OC(=O)NCC(=O)CCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514370 WSIBFPIQKKELHX-KRWDZBQOSA-N 401.503 4.163 0 1 HIAF CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587648336 CWGWITRFMCGGTA-UHFFFAOYSA-N 422.300 4.178 0 1 HIAF O=C(n1ncc2ccc(Cl)cc2c1=O)C1(c2ccc(Br)cc2)CC1 587651135 LIQCMZSWJIVBNF-UHFFFAOYSA-N 403.663 4.184 0 1 HIAF CCN(CC)c1ccc(-c2nn(Cc3cccc(O)c3)c(=O)c3ccccc23)c(O)c1 587664215 CKVCJNDEZLNZKK-UHFFFAOYSA-N 415.493 4.369 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795256 IFHFIABERDKLPL-RNODOKPDSA-N 406.295 4.238 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Br)cs2)N1 587853116 OZZKAYRVPZXGHI-INWYIAFRSA-N 406.118 4.431 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1ccc(C)cc1C 587867925 RBSUJLHWXMERAM-UHFFFAOYSA-N 404.392 4.342 0 1 HIAF Cc1ccc(-c2nc3ccccn3c2[C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963505997 DIIJLOYFXHPURC-CVDCTZTESA-N 413.477 4.012 0 1 HIAF O=C(NC1CCCC1)[C@H]1CN(c2ccccc2)CC(=O)N1c1ccc2ccsc2c1 1772635674 NNQWZNPLQBQAGR-OAQYLSRUSA-N 419.550 4.182 0 1 HIAF COc1cc(N(Cc2cccc(Cl)c2)CC2CC2)cnc1C(=O)[C@@H]1C[C@@H]1C(=O)O 1772657089 ZTROSXLWASFTAV-MSOLQXFVSA-N 414.889 4.064 0 1 HIAF CC1(C)[C@@H](CNc2ccc(F)cc2C(F)(F)F)[C@@H]1c1ccc(S(N)(=O)=O)cc1 1857585423 IAHMOVCJGYUIAG-RDJZCZTQSA-N 416.440 4.344 0 1 HIAF O=S(=O)(c1ccc2ncccc2c1)n1cc(C2=CCNCC2)c2ccc(Cl)cc21 1857609249 JINDPWUZZRFABQ-UHFFFAOYSA-N 423.925 4.457 0 1 HIAF COc1cccc2nc(C[C@H]3CN(CCCc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c12 2356305784 FXQJUZAUWDXPNH-UXHICEINSA-N 421.541 4.160 0 1 HIAF Cc1ccc(CNC(=O)CCc2nnc(Cc3ccc(-c4ccccc4)cc3)o2)o1 11842363 IBZCYWMGCBNKEV-UHFFFAOYSA-N 401.466 4.478 0 3 HIAF CCOC(=O)C1=CC[C@@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 72136255 MCNVRKPHQAIQIA-FQEVSTJZSA-N 419.930 4.274 0 3 HIAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc2ccccc12 95568513 GPDKSCUJTYQXHM-QHCPKHFHSA-N 421.518 4.383 0 3 HIAF COc1cc(CSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc(OC)c1 13677583 BNWBPPFHXDBRPZ-UHFFFAOYSA-N 418.465 4.257 0 1 HIAF Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@H]1C=Cc3c(c4ccccc4n(C)c3=O)[C@@H]21 14588136 DDSKJOGDKJUJHO-AVRDEDQJSA-N 424.500 4.336 0 1 HIAF biogenic CCO/C(=C\C(C)(C)O)C/C(C)=C/COc1c(OC)cc(/C=C/CO)cc1OC 15253841 WEYUEBJEXMHHGK-KCLPQUSMSA-N 406.519 4.116 0 1 HIAF CCCNC(=O)[C@@H](CC(C)C)SC[C@@H]1CCCN1C(=O)OCc1ccccc1 28096546 UPVVGIMUGKWOTB-VQTJNVASSA-N 406.592 4.462 0 1 HIAF CCOc1ccc2c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)nn2n1 28378145 FRTUSDCXYHNLHG-UHFFFAOYSA-N 411.458 4.005 0 1 HIAF C[C@H]1CC(=O)N(C)c2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21 28528238 XMEJLZITUOYZLM-KRWDZBQOSA-N 420.582 4.131 0 1 HIAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C(C)C)[C@@H](C)c1ncc(-c2ccccc2)[nH]1 38268784 INAWPKIMIKVOKG-AVRDEDQJSA-N 420.557 4.267 0 1 HIAF COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1 40429480 OFEDZXBACHVRIF-UHFFFAOYSA-N 419.391 4.205 0 1 HIAF CCOc1ccc(CCOc2c(Cl)cnn(-c3ccccc3)c2=O)cc1OCC 66128449 XNMBSLQWPAJXIX-UHFFFAOYSA-N 414.889 4.305 0 1 HIAF CCOC(=O)C1=C(N)Oc2cc(N(CC)CC)ccc2[C@@H]1c1ccc(Cl)cc1 66167174 LIVXKGBLIOIRNN-IBGZPJMESA-N 400.906 4.444 0 1 HIAF Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCC3)C2)cc1 72124466 OUTIXUKJRJQWBS-HSZRJFAPSA-N 416.569 4.482 0 1 HIAF CCS(=O)(=O)Nc1cccc2c1c(Oc1ccc(Cl)cc1)c(C)n2CC(=O)O 73167899 CMGUAOOJGFBGME-UHFFFAOYSA-N 422.890 4.242 0 1 HIAF O=C(NCC1CC1)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1F 82151717 OYJVWFWFIPIOFK-UHFFFAOYSA-N 408.452 4.216 0 1 HIAF Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(-c3cccc(F)c3)c(=O)c12 88345887 VGOHZLCNLVUERR-CQSZACIVSA-N 414.444 4.278 0 1 HIAF O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)s1 95564074 DRHNPWMFAGWFPG-UHFFFAOYSA-N 423.734 4.149 0 1 HIAF CCOC(=O)[C@@H](c1ccc(O)c(OC)c1)C(c1ccc(O)cc1)c1ccc(O)cc1 96931880 OCKWRKGUHWJMMI-QHCPKHFHSA-N 408.450 4.291 0 1 HIAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N1C(=O)CC(=O)N(CCc3cccc(Cl)c3)C1=O)C2 101678194 HMUUPXGVRHNTPJ-ZWWNWMABSA-N 402.922 4.278 0 1 HIAF C[C@H](O)C[C@@H](C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 113654063 HRNAVIYNHGZRMP-QWHCGFSZSA-N 408.483 4.030 0 1 HIAF Cc1nc(C(F)F)c(C(N)=O)nc1-c1ccc([C@H]2CC[C@@H](CC(=O)O)CC2)cc1 118455283 HCTLEJRHZGHJML-JOCQHMNTSA-N 403.429 4.237 0 1 HIAF COc1ccc(Nc2ccc(S(=O)(=O)NCC3CC3)c(C(F)(F)F)c2)cc1 145416971 RQDPQMBLUCPNJT-UHFFFAOYSA-N 400.422 4.146 0 1 HIAF O=C(c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(O)c(F)c1 169307925 LPNYGONMLBFKGR-UHFFFAOYSA-N 404.485 4.080 0 1 HIAF COC(=O)[C@H]1[C@@H](c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccccc2)[C@@H]1C 169347083 ZPWSMNJWLWWFPP-FSPWUOQZSA-N 406.404 4.150 0 1 HIAF CCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccccc2)c1 169689240 QCPLWGGHUXKTRA-YADHBBJMSA-N 417.461 4.138 0 1 HIAF CC(C)c1noc(N2CCC(C[C@@H](F)CNc3ccc4c(c3)C(=O)CC4)CC2)n1 203529075 PJFKOYKGTDRSHX-QGZVFWFLSA-N 400.498 4.379 0 1 HIAF C[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OS(=O)(=O)O 238763348 BJLIZEUOFAZAFA-NHJCDZISSA-N 400.581 4.214 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@H]2CN3c2ccc(Cl)cc2)nc1 253656631 VXLCATWCUQGGAQ-MOPGFXCFSA-N 419.916 4.037 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc3ccccc3cc2[nH]1 586938577 WPNOPBNBKRUMIF-GOSISDBHSA-N 411.552 4.489 0 1 HIAF CSc1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 586953794 RXNGCRUVUGCQOY-UHFFFAOYSA-N 402.526 4.209 0 1 HIAF O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cs1)c1cccs1 587019071 FLKNNSVKVZEUBP-UHFFFAOYSA-N 409.418 4.338 0 1 HIAF Oc1nncc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 587063934 FELXPORWSDMQJL-UHFFFAOYSA-N 405.845 4.413 0 1 HIAF OCc1ccc(-c2cc(Cl)cc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cc1 587067626 HSXIIEGKODDPOL-UHFFFAOYSA-N 400.916 4.410 0 1 HIAF COC(=O)c1ccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)o1 587404195 PKCDHYPDUQFOAJ-OAQYLSRUSA-N 407.422 4.242 0 1 HIAF COc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccccc1)O2 587407090 AHICKJZHVZNAIL-DQEYMECFSA-N 415.445 4.306 0 1 HIAF COc1cc2c3c(c1)O[C@](C[C@@H]1CCC[C@H]1C(=O)O)(c1ccccc1OC)[C@@H](C2)C3=O 587443198 PHJKJGRLTIDSJT-KORXNWOMSA-N 422.477 4.238 0 1 HIAF O=NCC1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587569204 FVVHHYWFHTYPBX-NZQKXSOJSA-N 401.374 4.292 0 1 HIAF CC(C)(C)OC(=O)[C@]1(C2=COCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606157 BTKIBXJMQLZGMX-YADARESESA-N 424.449 4.129 0 1 HIAF COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC(=O)O)cc1F 587622255 HFFZXPVKVJSULV-UHFFFAOYSA-N 418.222 4.249 0 1 HIAF CCN(CC)c1ccc(-c2nn(CCc3ccncc3)c(=O)c3ccccc23)c(O)c1 587664743 HURBENWFAMQQCH-UHFFFAOYSA-N 414.509 4.253 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2OCCO2)(c2cccc(F)c2)N1 587733254 QCHQKLKKBXSHGT-ODXCJYRJSA-N 424.285 4.268 0 1 HIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(O)c1OC 587808685 QNSXZPXZOAZAKZ-APBUJDDRSA-N 410.283 4.109 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OC[C@@H]3CO3)c2)N1 587835985 YIDAKEYXJYYOSW-CBLJQSSYSA-N 406.295 4.164 0 1 HIAF CCN(C(C)=O)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587856113 YAFVWEMSOVSAPA-FVMDXXJSSA-N 412.328 4.041 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(Br)nn1C 587857689 UFPLKGRGIJAZHE-UHFFFAOYSA-N 417.094 4.136 0 1 HIAF O=C(Cn1cccc(NCc2ccccc2)c1=O)Nc1ccc(Cl)c(Cl)c1 653709018 JTGFABUXBXPPIN-UHFFFAOYSA-N 402.281 4.406 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc(OC(F)F)c2)N1 962697156 LNTDMHDYIHRDLD-CABCVRRESA-N 405.294 4.134 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)N1 962940305 AFSFGVGWZPOTEA-IQMFZBJNSA-N 421.522 4.089 0 1 HIAF CC1=C(c2ccc(F)cc2)[C@]2(NCCc3c(C(=O)O)cccc32)c2ccc(O)cc2O1 963120376 HCTKBZNWBWVDKX-RUZDIDTESA-N 417.436 4.442 0 1 HIAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3noc4cc(F)c(F)cc34)CC2)CC1 1772639031 WTUNYPKNGBFPKZ-JCNLHEQBSA-N 405.489 4.370 0 1 HIAF COc1cc(-c2nnc(-c3cc(OC(F)(F)F)ccc3-n3cncn3)o2)ccc1F 1857597988 FITUGJRIUVEMJS-UHFFFAOYSA-N 421.310 4.031 0 1 HIAF CCn1c2ccccc2c2cc(NC(=O)c3ccccc3C(=O)NCCOC)ccc21 1857644073 FERDMZGJQSVSMX-UHFFFAOYSA-N 415.493 4.443 0 1 HIAF O=C(Nc1ccc2[nH][nH]c(=Nc3cccc4ccccc34)c2c1)[C@@H]1CCC[C@H](O)C1 1857745889 DYLAMJXLLKYZNV-AEFFLSMTSA-N 400.482 4.371 0 1 HIAF CCCCC[C@](C)(O)C=C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCC(=O)OC(C)C 2356746565 DMLOOJUPVUOLJU-WGNYYXNJSA-N 410.595 4.300 0 1 HIAF O=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)NCc2cccs2)c1 3022232 YUKWDCNWSHYLAY-UHFFFAOYSA-N 424.906 4.271 0 3 HIAF COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3c2cc(C)nc(-c3ccccc3)n2)cc1 13116393 KWDYFRJIOOERNJ-KEVCNVLYSA-N 401.510 4.480 0 3 HIAF C[C@@]12C(=O)N(C3CC3)CC(=O)N1C[C@H](c1ccc(Cl)cc1)c1c2[nH]c2ccccc12 2131446 AVNODFYJMZWPPP-HOYKHHGWSA-N 419.912 4.015 0 1 HIAF biogenic CC[C@@H](C)C(=O)O[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 3833873 PCZOHLXUXFIOCF-PJYJROMQSA-N 404.547 4.196 0 1 HIAF CN(C)c1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl 13525219 HOMYPBUWCGCCFD-UHFFFAOYSA-N 410.326 4.316 0 1 HIAF CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCCN2Cc2ccc(F)cc2)c1O 13820609 JPUBWQACEPBVIP-QGZVFWFLSA-N 420.912 4.150 0 1 HIAF CC(C)n1cnc2c(NCc3ccccc3)nc(N(CCO)Cc3ccccc3)nc21 13834597 WQDYUEZBAGTCIA-UHFFFAOYSA-N 416.529 4.018 0 1 HIAF Cc1ccc(CNC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H]3c4ccccc4C(=O)N32)cc1 15969504 DLADHVMWVOBBKO-NOZRDPDXSA-N 421.500 4.263 0 1 HIAF biogenic CCCC[C@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccccc1Cl 26009236 GQUWFRJNNINRQS-LEWJYISDSA-N 403.885 4.036 0 1 HIAF O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cn([C@@H]2CCCNC2)c2ncccc12 28862395 FIACVOPAQZIBSC-CQSZACIVSA-N 410.326 4.100 0 1 HIAF CC(=O)O[C@H](COc1ccccc1C(=O)CCc1ccccc1)CN1CCCCC1 40585079 KYLIMYBWENAMDS-QFIPXVFZSA-N 409.526 4.299 0 1 HIAF O=C(CSc1nc(Cc2c(F)cccc2Cl)cc(=O)[nH]1)c1ccc(F)cc1 40874709 ZVFPQGIMOFMYNA-UHFFFAOYSA-N 406.841 4.267 0 1 HIAF COCCn1c(CCc2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187435 VBRMYEONYSETTE-UHFFFAOYSA-N 419.504 4.052 0 1 HIAF C[C@H](CNc1ncnc2c1nc(-c1cccnc1)n2C[C@@H]1CCCO1)c1ccccc1 82188106 YTZKWUCHPRUCSZ-XLIONFOSSA-N 414.513 4.283 0 1 HIAF CC(C)CCNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2 82209487 FBMNXNHNWXSOLF-FQEVSTJZSA-N 410.562 4.063 0 1 HIAF Nn1c(SCc2ccc(Br)cc2)nnc1-c1c[nH]c2ccccc12 96906215 ZRBIXZXJMSTIRM-UHFFFAOYSA-N 400.305 4.195 0 1 HIAF CN(CCOc1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccn1 96906740 UBXAPUIWHAXSMJ-XMMPIXPASA-N 419.550 4.371 0 1 HIAF O=C(C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1(O)CC1 100638901 IXWXVAKVAIWHAW-KDURUIRLSA-N 413.558 4.275 0 1 HIAF CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cccc2c1CCCC2)C1CC1 139049340 MGGIBJKKOCQPBF-QFIPXVFZSA-N 405.542 4.221 0 1 HIAF CCN(CC)CCC[C@@H](C)N[C@@H](C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1 169342131 IQLAPNNGZXAPIV-CABCVRRESA-N 404.990 4.123 0 1 HIAF O=C(N[C@@H]1CCCc2cccnc21)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721962 YLOMGERBNLRWBO-ZIFCJYIRSA-N 413.477 4.232 0 1 HIAF CC(C)c1csc2ncnc(N3[C@H]4CC[C@H]3CC(OCCN3CCCC3)C4)c12 205809301 WYQGPYVYCAYFCS-IRXDYDNUSA-N 400.592 4.427 0 1 HIAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3ccc4cn[nH]c4c3)nn3ccnc23)n1 207348572 WEVYXRIMMPJRKN-OAHLLOKOSA-N 410.485 4.400 0 1 HIAF O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCC2CCC3(CC2)CC3)cc1F 216243867 GGNDMXHPIAAKFM-UHFFFAOYSA-N 415.914 4.050 0 1 HIAF COc1ccc(C2=NN[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 299856540 CSEVWTVESMISNT-QGZVFWFLSA-N 424.497 4.344 0 1 HIAF O=C1NC(=O)/C(=C/c2ccc(OCCc3ccccc3)c(Br)c2)S1 299868802 SIFWHILFECGYHK-WJDWOHSUSA-N 404.285 4.395 0 1 HIAF COc1nccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 587001480 YDALTSJPXIIWLD-UHFFFAOYSA-N 410.275 4.403 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(C(N)=O)c2[nH]1)c1cccc(Cl)c1 587071230 LCSDVNWANWUFKD-INIZCTEOSA-N 414.893 4.124 0 1 HIAF CCOc1ccccc1[C@@](N)(c1nc2cc(Cl)c(Cl)nc2[nH]1)C(F)(F)F 587093303 RWJXSBAADJDLQA-OAHLLOKOSA-N 405.207 4.428 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)C(F)(F)C1 587132111 KDTLCFLORMAFIQ-SECBINFHSA-N 407.339 4.431 0 1 HIAF COc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 587238861 GVZUTGCVAFGSPR-ICSGCJEQSA-N 401.507 4.127 0 1 HIAF COc1cccc(OCc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)c1 587652661 XZECEMVGEFENFW-UHFFFAOYSA-N 420.852 4.326 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncnc(Cl)c3n2C)N1 587704628 KBYWZMGDGLIFOD-AYVTZFPOSA-N 409.690 4.147 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587719836 LUZDXYFMSQHEIQ-JRIXGKFYSA-N 416.306 4.409 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2ccnc2)(c2cccc(F)c2)N1 587736366 ZNAKPHVUCNYQKJ-RNODOKPDSA-N 418.285 4.402 0 1 HIAF C[C@H]1CN(Cc2ccccn2)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587761106 OLLZUODCBCZVFV-ZSDSOXJFSA-N 418.354 4.255 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587789905 DUASOJMGFAEGAY-ZKTNFTSUSA-N 422.294 4.152 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587793587 RDXJWARSUIQVFU-YYSFKGJASA-N 409.299 4.333 0 1 HIAF COCCc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587849494 AABZFZSHEWLTAJ-XTZNXHDOSA-N 413.356 4.340 0 1 HIAF O=C(COc1ccc(C(=O)c2ccccc2)cc1Br)Nc1cccnc1 653804970 FXSGHETYURCKAX-UHFFFAOYSA-N 411.255 4.093 0 1 HIAF CC(C)NC(=O)[C@@]1(C(C)C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961772205 BKRAPQFUHLGZGE-XMMPIXPASA-N 415.578 4.214 0 1 HIAF Cc1cc2c(cc1F)[C@H]([C@H]1[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]1C3)NCC2 962095087 UYDWSRFFDNMWJE-GGEUNONFSA-N 406.501 4.438 0 1 HIAF CC(=O)c1ccc2c(c1)[C@@H](c1cncc(C)c1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962639740 WHGXJSMHFJNUMG-SFTDATJTSA-N 424.497 4.237 0 1 HIAF CN(c1ccccc1)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cn1 963230164 LQIYUGRGHDWLJN-ISKFKSNPSA-N 410.477 4.086 0 1 HIAF CCCN1CCN(C(=O)CSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1772570057 KCPQKNFQHMMWHA-UHFFFAOYSA-N 404.526 4.342 0 1 HIAF CN1CCN(c2ccc(-c3cn4c(-c5ccc(F)c(Cl)c5)cnc4cn3)cn2)CC1 1857600692 HFGBHVRKMOVYCO-UHFFFAOYSA-N 422.895 4.003 0 1 HIAF COc1ccc(-c2nc3ccc(NC(=O)Nc4ccc(OC)c(OC)c4)cn3n2)cc1 1857602020 ISWLUKXDDUQDOT-UHFFFAOYSA-N 419.441 4.066 0 1 HIAF CC1=C[C@H](CNC(=O)CCCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 2356287001 VIAJGGZRGJWSJT-OTWHNJEPSA-N 411.546 4.331 0 1 HIAF C[C@@H]1CC[C@]2(C)C(COC(=O)CC(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CCOC1=O 2356677050 FNONBYOWFSCKDW-FUKRKQLDSA-N 404.503 4.047 0 1 HIAF COc1ccc(-c2ccc3c(c2)CN(C(=O)NC2CCCCC2)Cc2cnnn2-3)cc1 72136518 IWHUYAQJSWOSAR-UHFFFAOYSA-N 417.513 4.301 0 3 HIAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccs2)[C@@H]1c1c[nH]c2ccccc12 2469367 SVBYHUAIIYTCBM-YADHBBJMSA-N 415.518 4.456 0 1 HIAF CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)c2cccnc2)C3)c1 12079071 HWPHEADOEHSRLY-IBGZPJMESA-N 404.441 4.132 0 1 HIAF COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OC(C)C)=C2 13553841 RTZYJJDTOPLRAX-NRFANRHFSA-N 414.454 4.190 0 1 HIAF COC(=O)[C@@H]1[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 13737428 XSYGBVSQKPLETJ-BQJUDKOJSA-N 401.453 4.095 0 1 HIAF CC(C)c1nc2c(Nc3ccc(C(F)(F)F)cc3)nc(N3CCOCC3)nc2[nH]1 26731869 JACKHHYIOBRCDQ-UHFFFAOYSA-N 406.412 4.075 0 1 HIAF CCN1[C@H](CNC(=O)c2cc(Cl)c(NC)cc2OC)CC[C@@H]1c1ccccc1 28235520 ZPMWZLMGOHDQOI-OXJNMPFZSA-N 401.938 4.346 0 1 HIAF CN(C)c1cccc(Oc2ncccc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)c1 28530073 IESXESKZDABDHR-UHFFFAOYSA-N 416.441 4.197 0 1 HIAF O=C(CCc1c(Cl)cccc1Cl)N[C@H](Cc1cc2ccc(F)cc2[nH]1)C(=O)O 34642316 XGCGSFHPDBUHEQ-GOSISDBHSA-N 423.271 4.359 0 1 HIAF COc1ccc(-c2c(C)nn3c(N[C@H](C)Cc4nc(C)no4)cc(C)nc23)c(C)c1 35951264 VLXQXCJWWFDHJX-CQSZACIVSA-N 406.490 4.065 0 1 HIAF COC(=O)/C1=C\C=C(\C(C)C)CCC2=CCC[C@](C)(OC2=O)[C@@H](OC(C)=O)CC1 40394359 GCDVQIVAHBRSQZ-CKBUPLLASA-N 404.503 4.196 0 1 HIAF CC[C@H](C)C(=O)O[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 43204624 PCZOHLXUXFIOCF-KCAMXNRYSA-N 404.547 4.196 0 1 HIAF O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ncccn1)CC2 84709943 HDWUBAHHZGASTF-UHFFFAOYSA-N 421.504 4.237 0 1 HIAF COc1ccc([C@H](c2ccc3c(c2)OCO3)[C@@H](C)[C@H](C)COC(C)=O)cc1OC 85641957 IYHIDVFUEBFZJV-HUYGQZFBSA-N 400.471 4.400 0 1 HIAF CC1(C)CCN(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccc(F)cc3)c21 95587508 BFXQFSUOOFMKKB-GXWBDACFSA-N 423.532 4.075 0 1 HIAF CCCCCN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccccc3n(C(C)C)c1=O)C2 101800761 UBKBKEPCLMAPQL-WKCHPHFGSA-N 409.574 4.498 0 1 HIAF O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3[nH]1)CC2 117808730 LQTAWFWESCZMLO-UHFFFAOYSA-N 413.525 4.453 0 1 HIAF Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@H]1COCC[C@H]1N1CCCC1 118605593 QXIDDGCVCWJZHP-HUUCEWRRSA-N 424.385 4.016 0 1 HIAF O=C1CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccc(F)cc43)cc2N1 143601630 ITXNIAPPQQDQMR-QGZVFWFLSA-N 419.403 4.034 0 1 HIAF O=S(=O)(Cc1ccccc1)N1C=Cc2ccccc2[C@@H]1c1c[nH]c2ncccc12 165817184 SCOVXOABCOAHIN-JOCHJYFZSA-N 401.491 4.469 0 1 HIAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCn3ccc4cccnc43)c2)c1 201547922 KFHGCVUZEVMKMK-UHFFFAOYSA-N 412.453 4.149 0 1 HIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC(=O)[C@]12C 253928520 OHXPGWPVLFPUSM-GBOHBUBDSA-N 402.531 4.073 0 1 HIAF CCOC(=O)c1cc(Br)c2nc(-c3oc4c(c3C)[C@H](O)CCC4)[nH]c2c1 586905442 OXRFBZMLZKEHPT-CYBMUJFWSA-N 419.275 4.440 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cc(F)c2[nH]1 586939204 YYJLHLSUMAVTQK-MRXNPFEDSA-N 421.563 4.400 0 1 HIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1nn(-c2ccccc2)nc1CC3 586988441 RPLOCLPGRHRHFR-UHFFFAOYSA-N 416.440 4.498 0 1 HIAF CCOC(=O)c1ccc2nc([C@@H]3CC(=O)N(CC)[C@H]3c3ccccc3Cl)[nH]c2c1 587060615 BGHSJPDMGIBBQD-QRWLVFNGSA-N 411.889 4.470 0 1 HIAF COc1ccc(N(C(C)=O)c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 587413447 OFQWGHJSDVGZCO-FQEVSTJZSA-N 423.494 4.433 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](/C(=C\N(C)C)C(=O)OCC)(c1ccccc1)CC2=O 587470356 SRQZHVBENRMICY-HLBBZWKBSA-N 423.509 4.214 0 1 HIAF Cc1cc2c(cc1Br)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587499634 SWQNTOKLCQHCEG-OAQYLSRUSA-N 412.283 4.449 0 1 HIAF O=C(O)c1[nH]c2ccc(F)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567239 CHDRFLZLWBSUCL-PGRDOPGGSA-N 419.364 4.414 0 1 HIAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(C)=O 587592175 IQRWHCYVDHKUDY-XUZZJYLKSA-N 420.417 4.203 0 1 HIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1OCCO 587595186 JTRKVQFABYTHNL-GBXCKJPGSA-N 406.434 4.083 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(Cl)s1 587615160 WSLWKLRYBWNUNZ-HNAYVOBHSA-N 402.811 4.049 0 1 HIAF C[C@@]1(c2cccc3sc(N)nc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620059 WQTYEOCGHHWDIP-JTSKRJEESA-N 404.447 4.461 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3cc(Cl)ncn3)c(=O)c3ccccc23)c(O)c1 587665710 OKHRFSUQOODCRW-UHFFFAOYSA-N 421.888 4.048 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cccnc2Cl)N1 587708018 XKXDJHRJDATUMJ-RVDNPBGGSA-N 424.745 4.490 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2ccc(N)cc2)N1 587747834 SGDAWAAQZLHJBE-ASSNKEHSSA-N 412.306 4.392 0 1 HIAF CCOC(=O)[C@H](C)n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587754805 MVALNMSLBRJMPF-OAVHHTNSSA-N 409.299 4.137 0 1 HIAF CCc1nn(CC)c2c1[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587761400 BEFKSWMDJDYPGK-MPBGBICISA-N 406.343 4.481 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)c3ccccc3)C2)N1 587770732 SWUCVAWBEFGOPV-QKKBWIMNSA-N 417.322 4.254 0 1 HIAF Cc1cc2c(cc1F)[C@H]([C@@H]1[C@H]3C=C[C@@H](C3)[C@H]1NC(=O)OCc1ccccc1)NCC2 962095090 UYDWSRFFDNMWJE-LDIXRSFVSA-N 406.501 4.438 0 1 HIAF CN(C)c1cccc(Cl)c1[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962658346 CNMLEYZYWAMLDC-NZQKXSOJSA-N 409.917 4.142 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C[C@@H](C)C(=O)O)c1ccc(Cl)cc1 963603894 CMINHWJPNAHNGR-ALLJEULLSA-N 403.906 4.246 0 1 HIAF Cc1ccc([C@@]2(c3cccc(CN4CCCC4)c3)c3nn(C)cc3CCN2C)cc1C 963956583 YTLZHBJTEXXNIN-MHZLTWQESA-N 414.597 4.413 0 1 HIAF Brc1ccc(CN2CCC(n3cc(Cc4ccccc4)nn3)CC2)cc1 1857552871 NFEMGHKRSJJLCX-UHFFFAOYSA-N 411.347 4.469 0 1 HIAF COc1ccc(Cl)cc1[C@@H](C)NC(=O)N(C)S(=O)(=O)c1ccc(Cl)cc1 1857744336 POIRKEBZBXOTPZ-LLVKDONJSA-N 417.314 4.093 0 1 HIAF O=C(O)C[C@@H](c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1)c1cnco1 1857768448 LBXKXRVUCOIOKC-SJORKVTESA-N 415.829 4.153 0 1 HIAF Cc1cc2nc(CO[C@@H]3CN(Cc4cnc5ccccc5c4)C[C@@H]3F)[nH]c2cc1C 2356312278 MLYMHCGEUIFTSU-WMZHIEFXSA-N 404.489 4.467 0 1 HIAF CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)C[C@H](N(C)C)[C@@H]32)C[C@H]1O 2356732996 NCGLTZSBTFVVAW-OOYSXHGUSA-N 405.623 4.150 0 1 HIAF CN(C)C(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(F)cc4)cn23)c1 61903864 KJQMRKVDCZJWEP-UHFFFAOYSA-N 402.429 4.078 0 3 HIAF CN(Cc1ccccc1)C(=O)Cn1nnc(-c2ccccc2)c1COc1ccccc1 61906459 STRTVUGYGWCHHM-UHFFFAOYSA-N 412.493 4.183 0 3 HIAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4ccc(Cl)cc4)ccnc3O2)cc1OC 61907982 VYJQAYRFFURMMS-HXUWFJFHSA-N 410.857 4.361 0 3 HIAF O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 627414 IGACZDWVAUZSAP-UONOGXRCSA-N 416.836 4.337 0 1 HIAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCC(C)(C)CO)cc1 775240 NDQLIJCPMANORX-UHFFFAOYSA-N 412.461 4.295 0 1 HIAF CCn1cc(C(=O)NCCc2ccc(Cl)cc2)c2c3ccccc3n(C)c2c1=O 4788943 PNGMFMZXBBHKEU-UHFFFAOYSA-N 407.901 4.139 0 1 HIAF CO[C@]1(c2cc(F)cc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCO[C@@H](C)C1 13589956 WXLDKPVBBUEYJC-UPCLLVRISA-N 411.473 4.297 0 1 HIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(O)cccc2[C@H]1CN1CCCC1 13726249 WRQRXSLULFCZOJ-HXUWFJFHSA-N 419.352 4.463 0 1 HIAF investigational CC(=O)O[C@H]1/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)c2ccccc2)[C@H]1C(C)C 15254503 NJSSIGJNKWSAJR-IJWGDPQOSA-N 400.515 4.463 0 1 HIAF CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2CC(C)(C)NC[C@@H]2C)cc1 22939681 HAILLLUQXQOSOC-YADARESESA-N 423.601 4.339 0 1 HIAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1N)[C@H](CN1CCCC1)c1ccccc1 26575182 BEZRKFREYDNALG-GOSISDBHSA-N 406.357 4.414 0 1 HIAF C=CC(=O)OCCO[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 35064156 MZAVRMYKKYOSTP-SANMLTNESA-N 413.473 4.290 0 1 HIAF CC[C@H](CO)Nc1nc(Nc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1 40393343 CWYPIRLIVVXCBY-QGZVFWFLSA-N 417.517 4.396 0 1 HIAF CC1(C)C=C(C(=O)NCCCNCc2cccc(Oc3ccccc3)c2)C(C)(C)N1 40466892 ZVJHRAKCGOFWQK-UHFFFAOYSA-N 407.558 4.162 0 1 HIAF CC[C@@H](C)CNC(=O)c1ccnc(-c2cccc(CN(C)C3CCN(C)CC3)c2)c1 45334934 LRFCGWUWVOAFBC-LJQANCHMSA-N 408.590 4.051 0 1 HIAF COc1cccc(OC)c1CNc1ncc(C(=O)N2CCCC2)c(-c2ccccc2)n1 82133054 MTJYKEGBWJIWQR-UHFFFAOYSA-N 418.497 4.009 0 1 HIAF COc1cc(C(=O)c2sc(-c3cccc(Cl)c3)nc2N)cc(OC)c1OC 84669662 WPDIOJDOGPNTEM-UHFFFAOYSA-N 404.875 4.303 0 1 HIAF COc1ccc(Oc2c(Cl)cnn([C@@H](CO)c3cccc4ccccc34)c2=O)cc1 95598142 RUHUMVNQBCYKJX-NRFANRHFSA-N 422.868 4.433 0 1 HIAF C[C@H](c1cccc2ccccc12)n1c(O)cc(=O)n(CCc2cccc(Cl)c2)c1=O 96270120 CGFZTNAPGPGURI-MRXNPFEDSA-N 420.896 4.374 0 1 HIAF CCCCCNC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 96922830 XRYNULQLOYTXLO-UHFFFAOYSA-N 420.538 4.266 0 1 HIAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@@H]2CC3C[C@@H]1CC(CC(=O)O)(C3)C2 101450426 RKNILYVZCIUTKZ-CWKZMSMFSA-N 405.922 4.283 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1ccc2c(C)c(Cl)c(=O)oc2c1 103179822 OFFPLXXNNRNSCF-LDADJPATSA-N 414.841 4.494 0 1 HIAF Cc1cnc(-c2cnn3c(=O)cc(-c4ccc(Cl)c(OC(F)(F)F)c4)[nH]c23)o1 143476639 IKOJPAUJGZJMQK-UHFFFAOYSA-N 410.739 4.205 0 1 HIAF COc1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)cc1 145860632 DHRFTZUWHODEQA-UHFFFAOYSA-N 424.464 4.151 0 1 HIAF COC(=O)/C1=C\C=C(/C(C)C)CCC2=CCC[C@](C)(OC2=O)[C@H](OC(C)=O)CC1 169319424 GCDVQIVAHBRSQZ-VDVGMRTHSA-N 404.503 4.196 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@H]3c3ccc(C)o3)sc2c1 169690105 DBQKPIMGHJRMHE-QZTJIDSGSA-N 420.446 4.255 0 1 HIAF C[C@H](O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 169710739 FOPTWJFCLCQKIQ-KSSFIOAISA-N 410.495 4.112 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(-c3ccc(F)cn3)n[nH]c2C1 225973031 VLAPRNRWEJWGGT-UHFFFAOYSA-N 424.785 4.482 0 1 HIAF CCOc1cc2ccc(OCCN3c4ccccc4O[C@@H]4C=CC=C[C@H]43)cc2oc1=O 253862543 FEPUJWTXMSFRJK-TZIWHRDSSA-N 417.461 4.333 0 1 HIAF CCOC(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 587019551 PQXVFEBWSMTJID-UHFFFAOYSA-N 421.482 4.431 0 1 HIAF Clc1ccc(CN2CCC[C@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587075402 IPFFBCWCFGBYTF-QFIPXVFZSA-N 410.949 4.386 0 1 HIAF COC(=O)c1cc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2cc1OC 587076143 JXEHJKXDZHKAKU-UHFFFAOYSA-N 409.829 4.446 0 1 HIAF O=C1CCc2cc3nc(-c4cn(C5CC5)c5cc(F)c(F)cc5c4=O)[nH]c3cc2N1 587172265 DVGYLAAZYSFROA-UHFFFAOYSA-N 406.392 4.043 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)ncc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587238346 CJYQMQCYEMIDER-ORBZYBPHSA-N 406.914 4.166 0 1 HIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587244507 KNWYBLPJYSJYIX-UHFFFAOYSA-N 412.352 4.024 0 1 HIAF CCn1nccc1[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338350 CGCRAHJDICLQRT-QPSFQWMHSA-N 421.472 4.077 0 1 HIAF COc1cc2c3c(c1)O[C@](C1CCC1)([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436505 RXTCHUJQMMBJAX-PDOGEWKWSA-N 413.514 4.381 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4occc4C(=O)O)cc1)[C@@H](C2)C3=O 587456718 XSCAPXVFBKAFPH-JTSKRJEESA-N 406.390 4.054 0 1 HIAF CCOC(=O)[C@]1(c2cc(F)c(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503404 GVLRZOVIEJEBMI-JOCHJYFZSA-N 404.384 4.407 0 1 HIAF Cc1ccccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581264 VIQACJRVFPHAAI-QPPBQGQZSA-N 403.434 4.450 0 1 HIAF COc1ccc2c(c1)[C@]1(CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606785 DPNCDUVCIZEWSP-QPPBQGQZSA-N 404.418 4.431 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616123 IEDLMTJODKYBMQ-FDDCHVKYSA-N 406.390 4.185 0 1 HIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NCCc1cccs1 587661365 OSECHNSRIDLSBP-UHFFFAOYSA-N 409.511 4.229 0 1 HIAF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](N=O)C2 587739114 FQYASICRKQGASB-UTFCXKJZSA-N 405.267 4.066 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587741204 GINZPYOAKHSAIO-YBTHPKLGSA-N 403.295 4.271 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCOCC2)N1 587775135 QXQRXQQFAKLJSX-ZUOKHONESA-N 405.311 4.048 0 1 HIAF CCOCCOCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587778134 HTPHJCGQPAAPHR-UHFFFAOYSA-N 407.392 4.387 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C2\Nc3ccccc3C(=O)O2)N1 587791227 JOAPIUTWXCGPAE-LGIDSNFJSA-N 417.278 4.462 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(C(=O)O)ccc32)N1 587827068 NEEPSAFSXZYEHX-BIBXISHDSA-N 404.279 4.401 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cncc(NC(C)=O)c1 587864527 LJTQZTKEDRQMRD-UHFFFAOYSA-N 418.375 4.010 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(-c3ccccc3C3OCCO3)cc2)N1 962903225 WPRJSNLWZNQQFQ-XZOQPEGZSA-N 419.452 4.226 0 1 HIAF O=c1n(Cc2cc3cnccc3n2CCCC(F)(F)F)c2cnccc2n1C1CC1 1911581741 ZHFKSLVRVDLBKO-UHFFFAOYSA-N 415.419 4.273 0 1 HIAF Cc1ccc(F)cc1C(=O)N1CCC[C@@H](c2cc(C(=O)Nc3ccccc3)no2)C1 61897271 WOWAHNXJUPSVDR-MRXNPFEDSA-N 407.445 4.394 0 3 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4037332 XEUFZJJBTZPCKF-IRLDBZIGSA-N 405.885 4.330 0 1 HIAF O=C(NCc1ccc(F)cc1)c1ccc(C[S@](=O)Cc2ccc(Cl)cc2)o1 6895803 KKTKIQVOKQTOHI-MHZLTWQESA-N 405.878 4.451 0 1 HIAF CC(=O)c1cccc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 13613375 FDDSQKZQCHXOJV-FQEVSTJZSA-N 411.521 4.495 0 1 HIAF C[C@@H](OC(=O)c1ccccc1)n1c([S@](=O)Cc2ccccn2)nc2ccccc21 13820770 XNXLQABJKJXONG-BCOMRZATSA-N 405.479 4.115 0 1 HIAF O=C(NCc1cccc(C(F)(F)F)c1)c1cn[nH]c1-c1cc(Cl)c(O)cc1O 14958416 MCELZAVXRGEPDE-UHFFFAOYSA-N 411.767 4.090 0 1 HIAF CCc1c(Sc2cc(C)cc(C)c2)n(COCc2cccs2)c(=O)[nH]c1=O 28111914 ACMUPWYYQICNEX-UHFFFAOYSA-N 402.541 4.103 0 1 HIAF CC(=O)N1[C@H]2CCC[C@@H]1C=C(CN1CCC(N(C)c3nc4ccccc4s3)CC1)C2 29129583 UPCCYIWXWGMCSO-RTWAWAEBSA-N 424.614 4.297 0 1 HIAF C[C@H]1CCCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)C1 34270937 WVKUHYKTCYXWNV-SFHVURJKSA-N 417.509 4.073 0 1 HIAF COCCCc1cc(C(F)(F)F)ccc1CNC(=O)Nc1cccc2[nH]ncc12 49035275 FXNOAAARUWKILS-UHFFFAOYSA-N 406.408 4.482 0 1 HIAF Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2CC(=O)O)cc1 63539473 SKKGEOIZBPJZLM-UHFFFAOYSA-N 400.228 4.298 0 1 HIAF CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 71329745 AHUKDBFUVJNLJK-FTBPSBKWSA-N 401.510 4.439 0 1 HIAF COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC)[C@@H](C)[C@@H](C)C2 95587114 HZQALWQXBWOKBO-JOOBJXAISA-N 416.470 4.330 0 1 HIAF COc1ccccc1N1CCN(C[C@H]2CO[C@H](c3cccc4ccccc34)O2)CC1 103221571 ZPOXZVXRHXPTRT-CPJSRVTESA-N 404.510 4.085 0 1 HIAF CCCCCN(CCCCC)CC(=O)Nn1c(S)nnc1-c1ccc(C)cc1 103222413 VMEQNYIWKXOMEZ-UHFFFAOYSA-N 403.596 4.295 0 1 HIAF O[C@H]1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 146402073 RTUHGNFNPBJYAU-IBGZPJMESA-N 408.571 4.031 0 1 HIAF COc1cc(-c2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC 169312263 MJBYLDYUWYSGAQ-UHFFFAOYSA-N 411.454 4.467 0 1 HIAF COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCCCC3)n2)CC1 209427628 YJXDRUZZNZTVEI-UHFFFAOYSA-N 407.522 4.085 0 1 HIAF COc1cc(OC)c2[nH]c(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)nc2c1 586917432 BTMRJYSEBCKTFR-UHFFFAOYSA-N 408.454 4.097 0 1 HIAF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1Cl 586963517 LMDBGGIVNNWPTL-UHFFFAOYSA-N 415.881 4.487 0 1 HIAF NS(=O)(=O)c1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587072104 UBYXOWZBGIIVFU-UHFFFAOYSA-N 419.293 4.246 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2c1 587079042 FQQBQFUNSIXVMK-CQSZACIVSA-N 403.269 4.380 0 1 HIAF Cc1nc2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2cc1Br 587108379 KQPZDMSTQMHYLA-UHFFFAOYSA-N 400.154 4.413 0 1 HIAF CC1=C(c2ccc3nc(-c4cc(Br)c(F)cc4F)[nH]c3c2)NNC(=O)C1 587135905 HSSNYSUYJGFMIK-UHFFFAOYSA-N 419.229 4.026 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cncc(OC)c4[nH]3)cc2)cc1F 587147489 PAMWGJDCCAUPKC-UHFFFAOYSA-N 404.445 4.113 0 1 HIAF N[C@H](N=O)c1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1 587153735 BGSCAWUBCMTTJZ-OAQYLSRUSA-N 419.416 4.110 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587232488 XTYBMFIVDMRMCW-WDEREUQCSA-N 403.832 4.272 0 1 HIAF Cc1[nH]c(C(=O)O)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344825 HKRJHERNVJQYLV-WMZHIEFXSA-N 409.413 4.449 0 1 HIAF O=C1c2ccc(O)cc2O[C@](CO)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 587345269 ILKQPJQBKZQMPP-LADGPHEKSA-N 403.409 4.259 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(OC)c1OCC(=O)O)CC2=O 587463471 XHPNRVGKTBSPCY-QGZVFWFLSA-N 420.845 4.177 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCN(C)C)(c1ccc(OC)c(OC)c1)CC2=O 587466618 ARXNSWHNOOZUFI-DEOSSOPVSA-N 413.514 4.174 0 1 HIAF CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524470 RICKZNDACVVUES-VWLOTQADSA-N 406.478 4.257 0 1 HIAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccn1 587583745 XHUZWMXYGXBZRB-ZJSXRUAMSA-N 413.433 4.158 0 1 HIAF C[C@@]1(c2ccccc2N2CCOC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595132 OUPIEWHENYMGSZ-YKSBVNFPSA-N 417.417 4.226 0 1 HIAF C[C@H](Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O 587596305 QRQVGPFVMPTROR-OSZRXVRWSA-N 420.417 4.121 0 1 HIAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3[nH]c(C)c(C(=O)OC)c3C)c2c1 587644226 QRVBOCLJLGMSSB-NSHDSACASA-N 410.470 4.431 0 1 HIAF CCn1cc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587688169 WZEXLOONGNVZNZ-CLAHSXSESA-N 417.120 4.191 0 1 HIAF CCOC(=O)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587732505 NMZAKMFYGVRFTM-NSPYISDASA-N 410.258 4.068 0 1 HIAF CC(=O)OC[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790708 HRWDRJCATXQUGE-RNODOKPDSA-N 406.295 4.238 0 1 HIAF CCOc1nc2sccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587854305 DCHPUZILNYSUFT-XPTSAGLGSA-N 410.312 4.320 0 1 HIAF CCn1c(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc2ccccc2c1=O 587863251 FELLITGLKGLBJO-UHFFFAOYSA-N 414.387 4.297 0 1 HIAF Cc1cc([C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ncc1Br 962772328 VUFFDGRLJMWPLF-YOEHRIQHSA-N 413.237 4.062 0 1 HIAF CCCCn1cc(/C=C2\C[C@@](CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc21 1857748373 GRAHICROOXJIEL-SKELBMGJSA-N 413.514 4.092 0 1 HIAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@H]1c1cccs1 2356288391 COMBNOBOJRQZBL-QTEQDKRBSA-N 414.571 4.007 0 1 HIAF CC1(C)CCC[C@]2(C)[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H]3CO[C@H](O)[C@H]3[C@]12C 2356635848 MEIBKHXXKNZYPZ-RWMKDCLRSA-N 400.515 4.135 0 1 HIAF CC(=O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@]35CC[C@]12C 2356736711 KLLPYPVHEZFPAN-IJXMOYGESA-N 415.618 4.254 0 1 HIAF COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cc1 61907616 DBGZOMMXMPNJKB-XMMPIXPASA-N 403.482 4.156 0 3 HIAF CN(C)c1ccc(NC(=O)N[C@H]2CCCCN(Cc3ccc(Cl)cc3)C2=O)cc1 199717878 CJZAKRGDNSLHRL-FQEVSTJZSA-N 414.937 4.109 0 3 HIAF COc1ccc(C(=O)c2c(C)n(CCCCN3CCOCC3)c3ccccc23)cc1 13742523 IXRSBPKBINTPQJ-UHFFFAOYSA-N 406.526 4.302 0 1 HIAF Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3CO)sc2c1 26276916 BZYZDQJLCCLWKI-CHWSQXEVSA-N 415.902 4.077 0 1 HIAF O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1cccc(C(F)(F)F)c1 28520484 PDLRICHUZLNKIY-HNNXBMFYSA-N 423.460 4.282 0 1 HIAF O=C(N[C@@H]1CCC[C@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1 28702506 OWLDJASELBBGJT-IEBWSBKVSA-N 416.308 4.489 0 1 HIAF CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1 28822174 WJGQPHCQDDVPTG-UHFFFAOYSA-N 404.493 4.479 0 1 HIAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N3CCC[C@@H]3C2)cc1OC 29405455 IWBAJYUYVTZPJH-QGZVFWFLSA-N 409.482 4.027 0 1 HIAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(-c2cccc(C(=O)O)c2)s1 36176603 WPUSCANMHKDXOC-ZPMCFJSWSA-N 407.491 4.161 0 1 HIAF CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccccc2)C2CC2)c1O 40873036 QGTKNXJREAWIOW-KRWDZBQOSA-N 409.515 4.252 0 1 HIAF C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCC4CC4)nc23)c1 68150584 ZVWBUIDKRADBPC-UHFFFAOYSA-N 409.449 4.423 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)cc1 70459628 OLNQHQDGYZJVST-OAQYLSRUSA-N 411.914 4.343 0 1 HIAF COc1cc2nc(N3CCC(C)CC3)nc(NCCCOC(C)C)c2cc1OC 82128927 WTSYHHPKIWPOLV-UHFFFAOYSA-N 402.539 4.110 0 1 HIAF Cc1cccc(-c2nc(NCC3CC3)ncc2C(=O)NCCc2cccc(F)c2)c1 82146254 DTKJBVGHYAFCMR-UHFFFAOYSA-N 404.489 4.386 0 1 HIAF CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc2ccc(Oc3nc4ncccc4s3)cc2o1 95594509 WWPUOYBBJXOXCR-HOTGVXAUSA-N 420.494 4.035 0 1 HIAF COc1cccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccc(OC)c3)cc2)c1 100101374 XYSVWDQIRSLYPY-OOSCYNTBSA-N 400.522 4.311 0 1 HIAF O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1nc(NC3CC3)ncc12 140060221 XWVVRLSOXHJIDK-UHFFFAOYSA-N 407.380 4.472 0 1 HIAF COc1cc(OCc2cscn2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 143146262 ZFFMSCWJUSXCTP-UHFFFAOYSA-N 414.468 4.257 0 1 HIAF Cc1nn(Cc2ccc(NC(=O)OCc3ccccc3)cc2F)c(C)c1CC(=O)O 169704015 HFSDWSKUQIACBM-UHFFFAOYSA-N 411.433 4.063 0 1 HIAF COC[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2cc(F)ccc2o1 205444245 ZXNMEEGSADJYDY-MRXNPFEDSA-N 421.428 4.496 0 1 HIAF CC(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CC[C@@H](OC(C)=O)[C@]1(C)CO)[C@@H]3CC2 238760333 BKQZXXOCIRUGMX-TYZKUDCASA-N 404.547 4.031 0 1 HIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1 586937032 OWJMCWSWUKCLSA-LLVKDONJSA-N 422.348 4.378 0 1 HIAF Brc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cn1 587011578 APTWMRFSVLIAAM-UHFFFAOYSA-N 400.099 4.484 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2cncc(Cl)c2[nH]1)c1ccc(F)cc1 587171663 UCUDAVIHPQMCHX-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF Cc1ccc(F)cc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330509 FTLPRZHKDFPQBJ-NFBKMPQASA-N 410.372 4.318 0 1 HIAF O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 587358933 QUVAGADLDKXNFV-URXFXBBRSA-N 418.376 4.147 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1cncnc1)O2 587369972 ABWBISWHKIHSOD-FQEVSTJZSA-N 410.271 4.039 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(F)cc(Br)cc21 587472449 QSRBXBSIBLKMJK-IBGZPJMESA-N 420.234 4.059 0 1 HIAF COC(=O)c1[nH]c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587590278 SDRRBWHVHRYVCG-FDDCHVKYSA-N 407.422 4.001 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)[C@H]1CCCNC1 587597464 UPRDCNKMMDIYED-FPDDQMOCSA-N 415.489 4.335 0 1 HIAF O=C(c1ccnc(Br)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657244 SDZQTDJJNUSAHN-UHFFFAOYSA-N 424.229 4.049 0 1 HIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(I)cc3[nH]2)cc1 587936346 KQYBQTKEABZLMF-QFYYESIMSA-N 408.239 4.013 0 1 HIAF CC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)C(F)(F)F 653704152 AZLBBFOVLFWKTC-UHFFFAOYSA-N 419.494 4.497 0 1 HIAF COc1cc(Br)cc2c1nc(C)c1c(C)nc(-c3ccnc(F)c3)n12 653784980 MGGBDVVFUXDIII-UHFFFAOYSA-N 401.239 4.472 0 1 HIAF COc1ccc2c(c1)[C@]1(CCCC[C@@H]1[C@@]1(O)C(=O)Nc3ccccc31)N(C(C)C)CC2 962090573 LSSGDDPUDVKBNR-AYRHNUGRSA-N 420.553 4.187 0 1 HIAF C[C@]1(/C=C2/Nc3ccccc3NC2=O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962691694 ASRIFOBWFDZRBJ-MWCCVDIWSA-N 409.530 4.353 0 1 HIAF Cc1cc([C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)ncc1Br 962772326 VUFFDGRLJMWPLF-WMLDXEAASA-N 413.237 4.062 0 1 HIAF COC(=O)CC1CCC2(CC1)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962951203 GGFVRTCWBXWZCT-UHFFFAOYSA-N 411.464 4.305 0 1 HIAF COc1cccc2cc3c(nc12)[C@H](c1c(Br)ccnc1Cl)NCC3 963046530 KEDUXPUJGVEHCU-KRWDZBQOSA-N 404.695 4.289 0 1 HIAF C[C@H](O)[C@]1(C2CCCCC2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963172613 DGIUDBIQPDOJFE-MWJQBAMBSA-N 405.844 4.114 0 1 HIAF O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCCOc2cc(F)ccc21 1772587586 ZUVPJJOSBNWNSA-UHFFFAOYSA-N 414.458 4.336 0 1 HIAF O=C1[C@@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(Cl)c(F)c1 1772629742 DWVPNVCSRAPCCL-NRFANRHFSA-N 402.897 4.165 0 1 HIAF FC(F)(F)c1ccc(CCN2CCC(c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772633500 NIGMZMFZEBEOSJ-UHFFFAOYSA-N 414.435 4.047 0 1 HIAF Clc1ccccc1Cn1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1Br 1857769942 FBNBVIIMXLLIEO-UHFFFAOYSA-N 415.682 4.194 0 1 HIAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)O 2356515233 HBYBDKQFQLMBGU-HFMPRLQTSA-N 400.515 4.446 0 1 HIAF C[C@]1(C(=O)NCc2cccnc2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61896644 JDTJLOQHFHVANJ-OAQYLSRUSA-N 413.399 4.172 0 3 HIAF COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CCCC[C@H]1O 773444 ZDLZASGTMPIJJF-ZWKOTPCHSA-N 410.445 4.190 0 1 HIAF CCOc1cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)ccc1OCc1ccccc1 14953221 MMBMCZFUAWRURS-QFIPXVFZSA-N 419.481 4.186 0 1 HIAF COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccccc3Cl)CC1)OCC2 27882765 YHUAGSRAKSXDQU-NRFANRHFSA-N 416.949 4.183 0 1 HIAF CCN(CC)CCN1c2ccccc2Cn2c1nc1c(Nc3ccccc3)ncnc12 66165952 QGYUNIWBPRAZEL-UHFFFAOYSA-N 413.529 4.412 0 1 HIAF COc1ccc2cc(Cc3cc(=O)n4c(c3C3CC3)SC[C@H]4C(=O)O)ccc2c1 71317011 LRFUNCFIILNNST-IBGZPJMESA-N 407.491 4.210 0 1 HIAF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(C)cc(C)c3)cc21 72116516 HADLZELQUKIKEI-IBGZPJMESA-N 409.482 4.133 0 1 HIAF CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2ccccc2)oc1C 82163325 BXQQHNYELJAIIR-UHFFFAOYSA-N 407.518 4.388 0 1 HIAF CC(C)Cc1nc2c(NCc3cccc(F)c3)ncnc2n1CCN1CCCCC1 82184519 WGYSSMCIKWUKGE-UHFFFAOYSA-N 410.541 4.262 0 1 HIAF C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(O)cc4)CC3)[C@@H]2CC/C(C)=C/CC1 101058458 BFMMRUIXWOLGNQ-UFUGVJMCSA-N 410.558 4.139 0 1 HIAF CSCCSCCC(=O)OC[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2C 169365543 WSLCFIYYDJNWLK-YRPNKDGESA-N 411.608 4.422 0 1 HIAF Cc1cc(C)cc(CN2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)c1 215283705 CPMZDOKDONUIPE-VMPITWQZSA-N 413.359 4.424 0 1 HIAF C[C@@H](O)[C@@H](C)C(=O)c1c(O)c2c(c3c1OC(=O)C[C@H]3c1ccccc1)OC(C)(C)C=C2 238768507 LPOJHKDMSLEMHR-CPUCHLNUSA-N 422.477 4.217 0 1 HIAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@]34C=C(C(=O)O)[C@H](CC[C@H]3[C@]2(C)CC[C@H]1OC(C)=O)C4 238774142 CJCKWTITCOUFHF-UIBUHBQASA-N 418.530 4.125 0 1 HIAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)c1 586937259 XGYXIIWARMOEFR-UHFFFAOYSA-N 412.540 4.396 0 1 HIAF COc1cc(-c2nc3cccc(C(=O)O)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143356 DFEFFELWLDFCEV-UHFFFAOYSA-N 406.369 4.441 0 1 HIAF COC(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587166562 WHEVBBZXJIGHTI-UHFFFAOYSA-N 406.442 4.456 0 1 HIAF COc1ccc2[nH]c(O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587588159 JSJVQFYVMADNCB-UGKGYDQZSA-N 403.390 4.291 0 1 HIAF CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(SC)n1 587611249 FYCSFCDDOXWXCB-QAPCUYQASA-N 412.492 4.329 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1cccc(C2OCCO2)c1 587619567 YEPIJKIYKKBJSS-UNMCSNQZSA-N 418.445 4.401 0 1 HIAF COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2Cn2cncn2)cc1 587623504 UGXRWIRCIFSDGE-UHFFFAOYSA-N 423.274 4.122 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587826250 DVLDQDGHQIXOCE-OVWNDWIMSA-N 410.283 4.305 0 1 HIAF CCc1ccc2c(c1)[C@@]1(CC(=O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587838285 NFSHKIVYACFDCN-YBTHPKLGSA-N 404.279 4.238 0 1 HIAF COC(=O)c1ccc(Br)c([C@@H]2NCCc3c(OC)ccc(Cl)c32)c1 963257087 GWWKKKMJIMPWAQ-KRWDZBQOSA-N 410.695 4.133 0 1 HIAF CCCCNC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)nc2ccccn12 1857617792 NUVQAYFZANJDSA-UHFFFAOYSA-N 404.392 4.135 0 1 HIAF CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)C[C@H](OC(C)=O)CC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2[C@@H](CO)[C@@]12C 2356441098 FPQQEIMHYJQCSQ-PZGFHBIISA-N 420.590 4.357 0 1 HIAF CC=C(C)C(=O)OCC(=CC)C(=O)O[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 2356506805 KSPCZOVYRUGCQU-KRWDZBQOSA-N 406.475 4.162 0 1 HIAF CCCCNC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@@H]1Cc1ccccc1 206043982 QUWBTZUDJLSHLS-DEJKCJRPSA-N 411.590 4.268 0 3 HIAF Cc1ccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 2256067 KBSIGJQSDAXLEH-RTWAWAEBSA-N 414.417 4.194 0 1 HIAF CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NCCOCCO 2483772 MZCOCCJHOBCWEY-UHFFFAOYSA-N 408.498 4.045 0 1 HIAF COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NC2CCCC2)c1 8681985 FXWPYFHYOKMYQY-FCHUYYIVSA-N 411.454 4.058 0 1 HIAF O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(C2CCCCC2)C1=O 13492834 MVNKLJDCEVKDQP-UHFFFAOYSA-N 424.284 4.270 0 1 HIAF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1 14975672 JYMFGFSCTSBMDF-UHFFFAOYSA-N 418.328 4.409 0 1 HIAF Cc1cccc2c1C1(C=C2)CCN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 27306265 SWFQTCOREPWUNL-NTKDMRAZSA-N 413.583 4.081 0 1 HIAF CN1CCC(N2C(=O)CN=C(c3ccccc3Cl)c3cc(Cl)ccc32)CC1 27764048 UTLJVNJRTAXWON-UHFFFAOYSA-N 402.325 4.272 0 1 HIAF O=C1Nc2ccc(F)c(F)c2[C@](CCO)(c2ccc(F)cc2)N1CC(F)(F)F 64372911 MMEZIRLUHTWSBL-KRWDZBQOSA-N 404.310 4.140 0 1 HIAF COc1cccc(NC(=O)Nc2cccn(Cc3ccc(F)cc3Cl)c2=O)c1 64539316 RGXOCOXQLAXTSV-UHFFFAOYSA-N 401.825 4.342 0 1 HIAF CCCn1cc(C2=NS(=O)(=O)c3cc(Br)ccc3N2)c2ccccc21 73293980 XIDACYPOAXSXIK-UHFFFAOYSA-N 418.316 4.375 0 1 HIAF O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@](O)(c1ccccc1)C1CCCCCC1 101120462 RKDBPJCLTVDAHN-DPRQWMOBSA-N 418.581 4.091 0 1 HIAF O=C(Cc1ccc(/C=C/CN2Cc3cc4ccccc4nc3C2=O)cc1)N1CCCC1 103182095 KSTLYYKGFUEUHO-AATRIKPKSA-N 411.505 4.069 0 1 HIAF CN1CC2CCC1([C@H](NC(=O)c1ccncc1Br)c1ccccc1)CC2 142696862 SVGTVKPJANURDU-QOSBUDKSSA-N 414.347 4.190 0 1 HIAF Cc1c(C2CC2)nc2cnc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cn12 223493553 XOKUPAPGKGDJTC-UHFFFAOYSA-N 406.873 4.298 0 1 HIAF C[C@H]1Cc2c(-c3ccn[nH]3)n[nH]c2CN1C(=O)c1cccc(C(F)(F)F)c1Cl 225992632 YEIGAZPDXFPLAM-VIFPVBQESA-N 409.799 4.059 0 1 HIAF Fc1ccccc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1 299855350 AXLWBOXIQLKYIT-NRFANRHFSA-N 415.472 4.347 0 1 HIAF Cc1csc(SCc2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2)n1 587021599 OCZJGZUTHNPZQN-UHFFFAOYSA-N 405.512 4.263 0 1 HIAF O=c1cccc(-c2nc3nccc(Cl)c3[nH]2)n1CCOc1ccccc1Cl 587063903 CUYFTAYAHMBMMQ-UHFFFAOYSA-N 401.253 4.172 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCN(c3ccccc3)C(=O)C2)[C@@H]1c1ccc(F)cc1 587343323 JRUCOEDCABPJAX-NOZRDPDXSA-N 417.436 4.456 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c1)O2 587391295 MJLPSNTWPLHKBS-ATLLOTDBSA-N 418.493 4.137 0 1 HIAF COc1ccc2[nH]c(C)c(CC[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c(=O)c2c1 587394405 GKUXQDCURIBQNI-XMMPIXPASA-N 406.482 4.092 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 587412052 LSQJOZSOTCPXIT-JWQCQUIFSA-N 415.445 4.306 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cnccn1 587573807 XVLRHNSNLYYBKL-URXFXBBRSA-N 414.392 4.227 0 1 HIAF COc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587581605 WOPDYDAEXGIPMQ-URXFXBBRSA-N 419.433 4.150 0 1 HIAF CCOc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606142 BOPSGOIKHZNTSM-QPPBQGQZSA-N 404.418 4.431 0 1 HIAF CCn1ncc([C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587724135 ZVLMYKFKPKBKIL-VVVCHXIZSA-N 402.258 4.156 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)Nc3ccc(F)cc32)N1 587728381 FHSLLKYAAQGNEC-OVWNDWIMSA-N 407.258 4.237 0 1 HIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1-n1cccn1 587757908 HZVXYCLOHGJHJX-XIKOKIGWSA-N 401.283 4.101 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587759721 VFRRQCZZCLDJMF-BIBXISHDSA-N 415.310 4.409 0 1 HIAF CC(=O)Nc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852084 KEEBIZOZXSPGFY-CQLKUDPESA-N 412.328 4.109 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nc(C)cc(C)n1 587863005 AIHQWTBNLUYFGF-UHFFFAOYSA-N 422.432 4.417 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Nc1nc2ccccc2s1 587872511 MARFOPZFOCRPQF-ZDUSSCGKSA-N 410.474 4.838 0 1 HIAF Cc1nn(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)c(C)c1CCC(=O)O 653713256 OSCLLKDDRXLBOJ-UHFFFAOYSA-N 420.922 4.465 0 1 HIAF CCCN(CCC/C=C/c1ccc(O)c(OC)c1)[C@@H]1CCc2[nH]c(=N)sc2C1 1857556114 DCTJWNXQZKKVMP-QQOXCAACSA-N 401.576 4.333 0 1 HIAF CN(C)c1cccc(-c2cc(-c3ccnn3C3CCCCC3)c3c(N)ncnn23)c1 1857600460 WTNYKMFZIKQJLI-UHFFFAOYSA-N 401.518 4.413 0 1 HIAF COC(=O)C1=C(C)N(C)C(NCc2cccc(C(F)(F)F)c2)=N[C@H]1c1ccccc1 199730819 JICXUEOASLTQLY-IBGZPJMESA-N 417.431 4.285 0 3 HIAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OCC)cc1 4041559 QDZOWAYJZYOLLW-FYYLOGMGSA-N 409.530 4.159 0 1 HIAF Cc1ccc(-c2nc(CCC(=O)c3ccc(C[C@@H]4SC(=O)NC4=O)cc3)co2)cc1 29546552 DEGQTADXGQUCNL-FQEVSTJZSA-N 420.490 4.360 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(/C=C/C(=O)O)cc1 27878668 GHWFTDJWKGTPLF-GLBTYYSXSA-N 422.481 4.048 0 1 HIAF CC(=O)O[C@]1(C)[C@@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@@H]2OC1(C)C 2356527385 FUWGTSPULMWHSY-KIFXHHALSA-N 406.434 4.393 0 1 HIAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1Br)CC[C@H](c1ccccc1)C3 28871456 XRXMAHCSMSPKKN-HNNXBMFYSA-N 412.331 4.380 0 1 HIAF CCCC(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl 26645695 NNEARLCHOMPTMO-UHFFFAOYSA-N 407.297 4.104 0 1 HIAF Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(I)cc1 66111859 IVPBBEUEZLPAHM-UHFFFAOYSA-N 413.671 4.481 0 1 HIAF COc1ccc([C@@H]2[C@H](c3ccoc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 71317316 KRQMXQFGISLTHJ-LEWJYISDSA-N 409.438 4.186 0 1 HIAF COc1cccc2c(NCc3ccccc3)nc(-n3c(CN)nc4sccc43)nc12 219012110 GBTXJLJWIWLIJX-UHFFFAOYSA-N 416.510 4.110 0 1 HIAF COCCNc1ncc(C(=O)NCC2CC2)c(-c2ccc(-c3ccccc3)cc2)n1 82153710 BHLQYGBTJBRPFO-UHFFFAOYSA-N 402.498 4.009 0 1 HIAF CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 84669605 SFSVHJLQTWQXIO-JOCHJYFZSA-N 424.508 4.139 0 1 HIAF CCCCCc1ccc2c(c1)[C@@]1(N=C(N)N(C(C)C)C1=O)C1(CCC(OC)CC1)C2 141806024 YLEMXAHYOAGFNS-VZTJNBFISA-N 411.590 4.311 0 1 HIAF COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2ccncc2)[C@@H](CO)N3)cc1 95794343 SNPKSBNCYXQYQL-NQHRYMMQSA-N 401.510 4.107 0 1 HIAF CC[C@@H](C)C(=O)O[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 95486476 PCZOHLXUXFIOCF-RUEHTQHOSA-N 404.547 4.196 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3cncn3C)nc(Cl)c2C)s1 653808314 DWBQURIBJNXZJR-UONOGXRCSA-N 418.954 4.040 0 1 HIAF CCOc1ccccc1[C@@](N)(c1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(F)(F)F 587091903 HQRLLMUVCVGLHY-LJQANCHMSA-N 419.382 4.051 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3)c(=O)c3ccccc23)c(O)c1 587664150 BHXGIZJCFXMDIR-UHFFFAOYSA-N 413.477 4.304 0 1 HIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 586938891 LASIMONXDLMXAU-LLVKDONJSA-N 413.421 4.205 0 1 HIAF Cc1ccc([C@@]2(c3nccn3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587574509 BICWBMHCWMMVDY-SQJMNOBHSA-N 412.445 4.340 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cc(I)cc1F)O2 587385451 DAOGLQRCWRDHGU-CQSZACIVSA-N 415.177 4.167 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4nnsc4Cl)cc1)[C@@H](C2)C3=O 587451770 KLOCGFFVSXPPIA-LIRRHRJNSA-N 414.870 4.268 0 1 HIAF COC(=O)C[C@]1(C2CC(F)(F)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334559 OZWJGLBZQASZIR-SIKLNZKXSA-N 420.383 4.237 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(C(=O)O)c4[nH]3)c(F)c2)c1 587147578 UNXYAPIERXTQII-UHFFFAOYSA-N 406.369 4.441 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(F)cc(Cl)c12 587728689 FVMWCMIMFIRILQ-SKLCBMLGSA-N 413.649 4.111 0 1 HIAF COC(=O)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587801432 GHOLDHRDCAUKBV-GIPWTMENSA-N 417.278 4.020 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2C(=O)CC(C)(C)CC2=O)N1 587824509 XFACYLYBLZHADA-PRWKNARSSA-N 410.327 4.302 0 1 HIAF CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587389908 KUSRCXCSWXERSN-VXKWHMMOSA-N 404.466 4.238 0 1 HIAF CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437148 DOZRPFLHFBJSOH-RRQZXNHTSA-N 403.478 4.047 0 1 HIAF COC(=O)c1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587590162 RPBGSJCBAAHDMY-OFNKIYASSA-N 415.401 4.363 0 1 HIAF COc1ccc2c(c1OC)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599313 FEPDBIUBRBWQHH-GBXCKJPGSA-N 404.418 4.213 0 1 HIAF O=C1C[C@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)Oc2c1ccc1c2CCCC1 587505813 IUAOWCYMBXIVDG-HXUWFJFHSA-N 422.424 4.232 0 1 HIAF O=S(=O)(c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1)C(F)(F)F 587037401 VDXIGFMLHCRJPW-CYBMUJFWSA-N 404.460 4.297 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=S)N(C)C)cc2)N1 587845783 SKROFEJJCPYMNY-ADLMAVQZSA-N 423.351 4.437 0 1 HIAF Cc1c(Cl)ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 587183720 HONUSASBZBLPDT-ZDUSSCGKSA-N 411.674 4.372 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cccc(F)c2)N1 587728118 CTNCGYTYFLAANJ-WYRIXSBYSA-N 410.258 4.370 0 1 HIAF Cn1cc(-c2ncc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)s2)cn1 587022483 ZOBKFODOHGRIAV-UHFFFAOYSA-N 400.336 4.136 0 1 HIAF O=S(=O)(NCCc1nc2ccc(Cl)cc2[nH]1)c1c(Cl)cccc1Cl 586943428 WJVUYHKXSGRSBZ-UHFFFAOYSA-N 404.706 4.044 0 1 HIAF Cn1ccnc1[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613492 PCWVATCLTIHPHA-AVRDEDQJSA-N 404.447 4.093 0 1 HIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1-n1cccn1 587756322 DASZXUHSHNNUKM-SGTLLEGYSA-N 401.283 4.101 0 1 HIAF CCS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587849466 LVVSIVYTBJSCMY-ADLMAVQZSA-N 412.324 4.005 0 1 HIAF COc1ccc([C@](C)(O)C[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587804317 ASVXQIHTVWUVIQ-TVNIXMEMSA-N 408.311 4.470 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2cncc(Cl)c2[nH]1)c1cc(F)ccc1F 587141138 XZHAYFWTDCPFRY-UHFFFAOYSA-N 420.828 4.357 0 1 HIAF COc1cc([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)ccc1SCC(=O)O 963097492 FLQYDJQPSPQCMY-KSFYIVLOSA-N 401.503 4.295 0 1 HIAF C[C@H](CC(F)(F)F)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 12612072 GDAMXAPPMKFQEH-MRXNPFEDSA-N 424.467 4.269 0 3 HIAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccc(C(C)C)cc1 169349979 XESDFGHOWSFHJI-XHKPYQQISA-N 412.526 4.394 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)[C@H]3CC)nn2-c2ccccc2)c1 169707005 UTRJSZWCCXCAFG-LEWJYISDSA-N 416.525 4.203 0 1 HIAF Oc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)n1-c1ccccc1 169719107 WJWOQKSXILZLMF-UHFFFAOYSA-N 403.404 4.234 0 1 HIAF Oc1cc(Cn2cc(CSc3nc4ccccc4[nH]3)nn2)c2ccc(Cl)cc2n1 1857607885 VNOUZLVTXWXYKW-UHFFFAOYSA-N 422.901 4.402 0 1 HIAF Cc1cccc(N2CCN(c3ccc4[nH]c(=O)c(-c5ccccc5)nc4n3)C[C@H]2C)c1 2499694 FNJHWBJMMBFIII-GOSISDBHSA-N 411.509 4.009 0 1 HIAF Cn1cc(C(=O)NCC2(c3ccccc3)CCCC2)c2c3ccccc3n(C)c2c1=O 4787890 JRHYDSFLVTVQBO-UHFFFAOYSA-N 413.521 4.272 0 1 HIAF COc1ccc(CC(C)(C)C(=O)O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 12358297 JHWLJQGKPKFKOZ-UHFFFAOYSA-N 409.404 4.297 0 1 HIAF CCOCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1 13818088 ICAMBRIYAKJCIK-UHFFFAOYSA-N 400.520 4.058 0 1 HIAF COc1ccc([C@H](c2ccc3c(c2)OCO3)[C@H](C)[C@@H](C)COC(C)=O)cc1OC 15119354 IYHIDVFUEBFZJV-JIQFQSSQSA-N 400.471 4.400 0 1 HIAF biogenic O=S(=O)(c1ccccc1)c1ccc(C2=NN3C(c4ccccc4)=CS[C@H]3N2)cc1 49110523 FICSPENSGNLGOQ-QFIPXVFZSA-N 419.531 4.115 0 1 HIAF CC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1ccc2ccccc2c1 58590537 ZHKSBEBKWSIVCL-UHFFFAOYSA-N 423.582 4.195 0 1 HIAF COc1ccc(-c2c(C)nn3c(N[C@H](C)Cc4noc(C)n4)cc(C)nc23)c(C)c1 64560609 MSOMZUDREVYDGN-CYBMUJFWSA-N 406.490 4.065 0 1 HIAF CCCCOc1c(OC)ccc2cc(C(=O)NC[C@@H](F)c3ccccc3)c(=O)[nH]c12 72178967 FNTMGRNAIKUGDA-GOSISDBHSA-N 412.461 4.156 0 1 HIAF O=C(CCc1nnc2sc(/C=C/c3ccccc3)nn12)c1nc2ccccc2[nH]1 95574410 XTVZHSCGCYQRLB-JLHYYAGUSA-N 400.467 4.048 0 1 HIAF O=C(CCc1nnc2sc(Cc3ccccc3Cl)nn12)c1nc2ccccc2[nH]1 95589672 NXVSLCJFDIGECX-UHFFFAOYSA-N 422.901 4.122 0 1 HIAF CC1(C)c2cc(OC3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)c(F)cc21 114802875 OHKQILJRFDIPHV-UHFFFAOYSA-N 403.457 4.180 0 1 HIAF CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1cccc2ccccc12)C1CC1 139048135 HEXDYZPZIWOMJS-XMMPIXPASA-N 415.537 4.424 0 1 HIAF CC(=O)Oc1ccc2cc(-c3cc(Br)cs3)c(=O)oc2c1OC(C)=O 144830030 VWOFSTTXFKJPBL-UHFFFAOYSA-N 423.240 4.135 0 1 HIAF COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 169709705 OZYPBZNXLHWTBT-BBRMVZONSA-N 409.408 4.175 0 1 HIAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)N1 201328754 VYEYXSZSUUINMA-IKJWCUOUSA-N 417.553 4.082 0 1 HIAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)s1 587014902 TUEQSDIEKJMQMZ-VIFPVBQESA-N 419.450 4.386 0 1 HIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587068714 BRPRAKOFCYVMIP-SECBINFHSA-N 400.107 4.312 0 1 HIAF COc1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2n1 587130912 SWNMHGDGNNUATM-UHFFFAOYSA-N 422.395 4.184 0 1 HIAF COC(=O)c1ccnc2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc12 587138933 WDOLFQBSFKLUDJ-UHFFFAOYSA-N 409.348 4.055 0 1 HIAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(F)(F)F)cc2[nH]1 587182808 SRMHQCAYTMOLJZ-MRVPVSSYSA-N 420.176 4.301 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC(C)=O)cc(OC(C)=O)c1)CC2=O 587477780 IYNXIPHTZCMTOC-QHCPKHFHSA-N 412.438 4.076 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(N2CCOCC2)=CSc2ccccc21 587500949 VQTVMIROMVSIEH-DEOSSOPVSA-N 423.534 4.485 0 1 HIAF COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n2c(C=O)cccc12 587519256 WYACYZUFCMDTMX-QFIPXVFZSA-N 403.434 4.124 0 1 HIAF Nc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540813 REFHKTKCULQPKX-YLJYHZDGSA-N 412.239 4.440 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccnc1F 587571646 RLZLNJVTRSSMQZ-CRAIPNDOSA-N 416.202 4.392 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc2c(c1)CCCC2 587604475 UGRXYNAATNVGHF-SQJMNOBHSA-N 416.429 4.213 0 1 HIAF O=C(O)c1csc2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619414 SGEOMLZIMHMFQA-VGOFRKELSA-N 408.431 4.345 0 1 HIAF COC(=O)C[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587725589 FEGREDABNVLYQG-WYRIXSBYSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C2/Nc3ccccc3C(=O)O2)N1 587796248 SQPDVYOBIMRVHY-MBDSWTJOSA-N 417.278 4.462 0 1 HIAF COc1cc(OC)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587808876 RBJNZKHRKWXNDZ-PRWKNARSSA-N 424.310 4.412 0 1 HIAF O=C(COc1ccc(C(=O)c2ccccc2)c(Br)c1)Nc1cccnc1 653804967 FBBVTPNOZJUYSD-UHFFFAOYSA-N 411.255 4.093 0 1 HIAF C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)c3c(F)cccc3C[C@H]3CCCN32)C1=O 963111485 ODNPSPXEISPLPK-QVNIBDNGSA-N 406.501 4.090 0 1 HIAF C[C@H](O)[C@]1(C2CCCCC2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963172601 DGIUDBIQPDOJFE-DGVXXNCNSA-N 405.844 4.114 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1n[nH]cc1Cl 963841471 PHCRLNQTBAMHMZ-FZKQIMNGSA-N 405.882 4.097 0 1 HIAF CC1=C[C@@H]2Cc3[nH]c4cc(Cl)ccc4c(=NCCCN4CCOCC4)c3[C@H](C1)C2 1772569845 MOFQYKGYNLGXPQ-ZWKOTPCHSA-N 411.977 4.440 0 1 HIAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC12COC2 1772585319 VHGKLXAQYCGAPY-UHFFFAOYSA-N 415.371 4.056 0 1 HIAF Cc1ccc([S@](=O)(=NC#N)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1F 1911582269 RZADJFPOASAKCT-LJAQVGFWSA-N 412.490 4.156 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1OC 773616 JGQBTYUJGALDJT-KSSFIOAISA-N 412.461 4.293 0 1 HIAF COc1ccccc1NC(=O)c1cc2c(=O)n(Cc3cccs3)ccc2nc1C 6917111 WHUSNVVTSDQOSV-UHFFFAOYSA-N 405.479 4.076 0 1 HIAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2ccccc12 10450373 GCZBFHFZBMFHDI-AWEZNQCLSA-N 403.887 4.157 0 1 HIAF Cn1c(=O)c([C@H](c2ccccc2)c2[nH]c3ccccc3c2CCO)c(O)c2ccccc21 13369361 OKAAVPIQILYZEX-QHCPKHFHSA-N 424.500 4.440 0 1 HIAF biogenic CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCO 13672387 FIPVETXTFOGZQH-UHFFFAOYSA-N 401.528 4.306 0 1 HIAF CN(C)CCCCN1CCc2cc(Br)c(O)cc2[C@@H](c2ccccc2)C1 13743894 AEFMBWDXTMRYHD-HXUWFJFHSA-N 417.391 4.487 0 1 HIAF O=C1C[C@](c2ccccc2)(c2ccncc2)OC(=O)[C@H]1SCCc1ccccc1 13766525 FTFCWRGMEWBWBU-UPVQGACJSA-N 403.503 4.186 0 1 HIAF O[C@@H](CNCCc1ccccc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 28012504 BUVBCGDYVPTGMH-FQEVSTJZSA-N 419.550 4.377 0 1 HIAF O=C1CC[C@@](c2ccccc2)(C2CCN(Cc3ccc(Cl)c(F)c3)CC2)C(=O)N1 40430603 LSWCBBNEHRUABL-HSZRJFAPSA-N 414.908 4.066 0 1 HIAF CCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1 72175865 ORZYFWITKZPZBS-UHFFFAOYSA-N 413.481 4.070 0 1 HIAF COc1ccccc1CN[C@@H](c1nc(-c2ccccc2)c(N2CCOCC2)o1)C1CC1 72186190 VGPFABYLSJTEJP-JOCHJYFZSA-N 419.525 4.428 0 1 HIAF O=C(NC1CCCCC1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cccc(F)c2)cs1 82192187 ZJLGASWCDOGVLC-SFHVURJKSA-N 413.522 4.144 0 1 HIAF Nc1ncnc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c12 95556670 VAMLDTHVKNLBIL-UHFFFAOYSA-N 422.460 4.351 0 1 HIAF O=C1/C=C/[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2/C=C/CCC[C@H](CCc2ccc3cccnc3c2)O1 103146824 XHHDRUPDXADOLR-KFCOVEJUSA-N 421.537 4.124 0 1 HIAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4sccc4-c4ccccc4)C[C@H]3C2)n1 116822014 BVINMOXFXQBPAM-KDURUIRLSA-N 404.539 4.030 0 1 HIAF Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N)CC3)c1 142223952 YGXWLBBERBHMTL-RPBOFIJWSA-N 420.578 4.073 0 1 HIAF CC(=O)c1ccc(NC(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 142724938 KWGLOFNTIRKJMQ-UHFFFAOYSA-N 408.889 4.445 0 1 HIAF CS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(OC3CCCCC3)n2)cc1 145684061 LMOGABSWSZHKQR-UHFFFAOYSA-N 415.437 4.354 0 1 HIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccnc(Br)c3[nH]2)cs1 587019859 XZZBKRZLPMRQSN-UHFFFAOYSA-N 410.297 4.115 0 1 HIAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cs1 587020610 DJDDSJJNJLCNBS-UHFFFAOYSA-N 412.418 4.283 0 1 HIAF Cc1cc2[nH]c([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc2c(C)n1 587141500 RIEMKAOOHAYDBI-KRWDZBQOSA-N 424.929 4.433 0 1 HIAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cccc(Cl)c2[nH]1)c1ccc(F)cc1 587169759 JWLYSVQHUMBRIX-SFHVURJKSA-N 415.877 4.423 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(F)c(F)c(F)cc2[nH]1 587180047 CNTAUFSPWKXTDA-LURJTMIESA-N 420.176 4.419 0 1 HIAF CC[C@]1(c2c[nH]c(C(=O)OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344038 FFLRBAANMKCIIK-NFBKMPQASA-N 409.413 4.310 0 1 HIAF Nc1n[nH]cc1[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377524 RUBMLMBTKFTGDL-UGKGYDQZSA-N 421.453 4.201 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCCC[C@H]1CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433597 SKUGJBLUKKKBDJ-YGJVYZRNSA-N 401.503 4.286 0 1 HIAF O=C(O)CCC[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587534654 FKXIBETZBOSEJW-RUZDIDTESA-N 422.477 4.452 0 1 HIAF C[C@@]1(c2ccncc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548705 VGBUKOBNFPKTSG-XLIONFOSSA-N 412.239 4.427 0 1 HIAF CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587579196 CIOQXUHQEOIWHM-XLIONFOSSA-N 408.410 4.075 0 1 HIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)Br 587622134 YNRSXUCTAVYZJM-UHFFFAOYSA-N 407.012 4.286 0 1 HIAF CCOc1ccc(-c2nn(C(=O)c3cscn3)c(=O)c3ccccc23)cc1OCC 587671029 NYRIPFHINQXUEP-UHFFFAOYSA-N 421.478 4.006 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3[nH]cnc(Cl)c2-3)N1 587702524 DNBXMZPJYPQORQ-WNWIJWBNSA-N 409.690 4.262 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3cccs3)CC2)N1 587849920 BUFIKFCGXSIAHC-GFCCVEGCSA-N 423.351 4.315 0 1 HIAF CC(C)(C)C(=O)OCc1ccc([C@@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1 653704638 VPUKGDGSVMAWIM-OAQYLSRUSA-N 405.498 4.005 0 1 HIAF COc1ccc(C[C@@H]2CCCN2C(=O)c2ccccc2-c2ncccn2)cc1OC 653780753 GLSNUHUKHNGMPC-SFHVURJKSA-N 403.482 4.008 0 1 HIAF CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)cc1 963118237 ZCEOPAAADFQJSG-DVECYGJZSA-N 410.489 4.267 0 1 HIAF Clc1cc(-c2ccnc(N3CCNCC3)c2)cc(Cl)c1OCc1ccncc1 1772577634 IXEPGIHSDYZJPI-UHFFFAOYSA-N 415.324 4.439 0 1 HIAF O=C(c1nn(-c2ccccc2)c2c1C[C@@H](NCc1ccccc1)CC2)N1CCCCC1 1857618202 UOGQKLHZFYFSOV-NRFANRHFSA-N 414.553 4.146 0 1 HIAF COc1cc2c(c(OC)c1OC)[C@@H](c1cc(Br)ccc1F)[C@H](C)C(=O)N2 1857638982 SJBJLFRJNAQGPK-BJOHPYRUSA-N 424.266 4.334 0 1 HIAF COc1ccc(-n2c(C(=O)c3sc(Nc4ccccc4)nc3C)c[nH]c2=N)cc1 1857655350 XIJBZUAPZQCRSL-UHFFFAOYSA-N 405.483 4.033 0 1 HIAF CCCC(=O)O[C@]1(C)CCC=C(C)C[C@H]2O[C@H]1[C@@H]1[C@H]3C[C@@H](OC[C@@H]3C)[C@@](C)(O)[C@@H]21 2356485017 PJCYPUODMUBESE-UBADJTQJSA-N 406.563 4.024 0 1 HIAF C[C@@H]1CCCC=CCCC(=O)C[C@H](O)CC=CC=C[C@H](O)CC=CC=CC(=O)O1 2356707205 KMKZBIGDFUKDCN-FUPPJEDESA-N 402.531 4.124 0 1 HIAF O=C(O)CCC(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 627269 MKWLWINRGPYHJZ-UHFFFAOYSA-N 422.312 4.123 0 1 HIAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(F)cc1Cl 774151 MJOGYESILUYDLX-CQSZACIVSA-N 418.852 4.310 0 1 HIAF Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(N3CCNCC3)cc2)cc1 12353872 ODYADVKZTZANGH-BJKOFHAPSA-N 420.534 4.475 0 1 HIAF O=C(Nc1nc2c(s1)CCCC2)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C1CC1)N2 13123780 OOIIANIFWVIHLY-FZMZJTMJSA-N 411.453 4.168 0 1 HIAF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(S(C)(=O)=O)ccc23)C1(C)C 14975765 SSCUOGWLEYLSCI-UHFFFAOYSA-N 417.571 4.336 0 1 HIAF CNc1cc(OC)c(C(=O)NC[C@@H]2CC[C@@H](C)N2Cc2ccccc2)cc1Cl 28238854 GGANYIDTHXJNBU-WBVHZDCISA-N 401.938 4.173 0 1 HIAF CCCCN(Cc1ccc(C)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40405761 OFDATFHSIYGBFC-QHCPKHFHSA-N 414.500 4.055 0 1 HIAF CC1=C2CC[C@@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)Cc2cn(S(C)(=O)=O)nc21 58562709 ZAKWQKHIANOUEX-VEKFHTSXSA-N 418.603 4.014 0 1 HIAF COc1cc(CCN[C@H](C)COc2c(C)cc(Br)cc2C)ccc1O 66166922 JGNJQUMSMDDCDK-OAHLLOKOSA-N 408.336 4.380 0 1 HIAF CCOC(=O)c1cc2cc(-c3cc(C(=O)NCc4ccncc4)ncc3C)ccc2[nH]1 73163094 DMKUTALHEIQGEX-UHFFFAOYSA-N 414.465 4.040 0 1 HIAF COC(=O)c1nc(-c2csc([C@@H](NC(=O)c3cccs3)C(C)C)n2)oc1C 103267293 HKCOFCOOUGIGKM-ZDUSSCGKSA-N 405.501 4.082 0 1 HIAF NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)c2ccccc2)cc1 140344478 OFBOGDGBFWUGNW-QHCPKHFHSA-N 411.461 4.135 0 1 HIAF CN1Cc2ccc(NC(=O)N[C@@H]3CCOc4c3cccc4C(F)(F)F)cc2NC1=O 144242881 VJCDRKYSLJFEEQ-OAHLLOKOSA-N 420.391 4.328 0 1 HIAF CC(C)(O)Cn1cc(-c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1 224734283 KOMHAYZSLJKEBG-UHFFFAOYSA-N 403.461 4.166 0 1 HIAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 586911875 MTMPUUWVMRRWPM-XLIONFOSSA-N 415.515 4.045 0 1 HIAF COc1cccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c12 586954887 JOPMIYZHDAUJRK-UHFFFAOYSA-N 413.543 4.263 0 1 HIAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(F)cnc3[nH]2)c1C=O 586968174 OFUWPJRBKSJZRL-UHFFFAOYSA-N 415.881 4.408 0 1 HIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(=O)OC)nc2[nH]1 587035404 TXVXUIBHHBVASU-CYBMUJFWSA-N 408.483 4.230 0 1 HIAF O=C1C[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587151430 ZNJLKBDRTQEXIX-SNVBAGLBSA-N 424.220 4.259 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587422840 VCYHVOLLRGJTHC-XOBRGWDASA-N 405.372 4.249 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)nc(-c4ccccc4)nc1S)[C@@H](C2)C3=O 587452207 MXXUUIBSPDFBDO-QMHKHESXSA-N 404.491 4.412 0 1 HIAF COc1ccc([C@@]2(CCN(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587503652 HJVQSPHOLOASGW-RUZDIDTESA-N 409.526 4.395 0 1 HIAF O=C(O)[C@@H]1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587606635 DZQFMABDYMRABQ-QQQUVDROSA-N 402.402 4.211 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(=O)O)n(C)c3ccccc23)N1 587753516 JKSOMYSSCJAWLC-MGNBDDOMSA-N 417.278 4.402 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C2\Nc3ccccc3C(=O)O2)N1 587796249 SQPDVYOBIMRVHY-NEIVOETISA-N 417.278 4.462 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCC(=O)O)N1 587796467 SXLPZXGREHNZGI-JEOXALJRSA-N 408.267 4.065 0 1 HIAF O=C1CCC(c2ccccc2)(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 587970489 IKXDBTLWLAGGAU-UHFFFAOYSA-N 422.428 4.286 0 1 HIAF CC/N=c1\c(NC(=O)c2cc(OC)ccc2Br)c(O)oc2ccccc12 617997484 NFOSJKSSKYBQBK-PGMHBOJBSA-N 417.259 4.082 0 1 HIAF CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@@]2(c3ccccc3)NCCc3nc4ccccn4c32)C1 962984511 MWFATYAXQLXRDJ-OHUGHZGNSA-N 401.510 4.171 0 1 HIAF CO[C@@H]1CN(Cc2ccc([C@H](C)NC(C)=O)cc2)Cc2ccc(OCC3CC3)cc21 1772640001 HZCWGFHKRSFTGP-SSOJOUAXSA-N 408.542 4.376 0 1 HIAF O=C(CSc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCCC1 1857607227 ZZAVFJBPMVNKQJ-UHFFFAOYSA-N 408.527 4.128 0 1 HIAF CCCCOC[C@@H]1CN(CCCC)S(=O)(=O)c2c(cccc2N2CCCCC2)O1 96021311 UUQXZSJPCVWLMU-IBGZPJMESA-N 424.607 4.045 0 3 HIAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccccc1F 4053824 XGBSFNOGSUNUPL-VWNXMTODSA-N 418.468 4.285 0 1 HIAF O=C1NCCN1CCN1CCC(c2cn(-c3ccccc3)c3ccc(Cl)cc23)CC1 13489954 LZLFOPCRHMBFCG-UHFFFAOYSA-N 422.960 4.489 0 1 HIAF COc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12 13862862 JBWREVQKLWMQCO-AWEZNQCLSA-N 417.347 4.358 0 1 HIAF COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(Br)cc32)cc1OC 26668026 DZVSHDCFTWCEAC-QGZVFWFLSA-N 401.304 4.377 0 1 HIAF CCOC(=O)[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O 29559710 KHIBBMKEFBUJIP-HXUWFJFHSA-N 423.465 4.078 0 1 HIAF Oc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 40403471 XMQZZYKNICJHTB-FGZHOGPDSA-N 414.889 4.066 0 1 HIAF O=C(c1coc(-c2ccc3ccccc3c2)n1)N1CCC[C@H](C(=O)N2CCCCC2)C1 82081460 UFOVSZJYRJQXCY-NRFANRHFSA-N 417.509 4.360 0 1 HIAF O=C(NCCCCC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1C[C@H]1c1cccnc1 103241042 QHMWQTJEUKVYBF-XZOQPEGZSA-N 405.542 4.024 0 1 HIAF CC1=Nc2nnnn2[C@@H](c2cccc(Br)c2)/C1=C(\O)OC1CCCCC1 104115542 DVYCZGALQBKVIV-UYTDBDHRSA-N 418.295 4.250 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC(C)(C)F)cn3)C2)cc1 169709315 WSZSVTXBCJGHPS-KKSFZXQISA-N 415.509 4.063 0 1 HIAF COc1ccc(COC(=O)C2=C(c3ccccc3)NC(=O)N[C@H]2c2ccccc2)cc1 205384264 MKDWZFWVPYWDDB-QFIPXVFZSA-N 414.461 4.204 0 1 HIAF CCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)ccc1=O 222633872 BPYLPYLSWFBRIH-UXHICEINSA-N 412.493 4.364 0 1 HIAF O=C(OC1CCCC1)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1 223652225 OSJGXZRTPSXGAF-UHFFFAOYSA-N 423.513 4.490 0 1 HIAF O=C1C[C@@H](c2ccccc2)c2c(cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O1 238785212 DLOIFVULVUVTIV-INIZCTEOSA-N 400.386 4.312 0 1 HIAF Cc1cc(N2CC[C@H](CN3CCC[C@H]3C)C2)ccc1NC(=O)c1ccc(CO)cc1 299845026 DKQIZBBOUKKSND-TZIWHRDSSA-N 407.558 4.050 0 1 HIAF CCOC(=O)c1oc2cccc(OC)c2c1Nc1cc(OC)c(OC)c(OC)c1 299851652 HWOMQRUZBQDNBL-UHFFFAOYSA-N 401.415 4.388 0 1 HIAF Brc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)cc2c1OCCO2 587000686 JRGQEZMYAVUZFP-OWOJBTEDSA-N 415.243 4.038 0 1 HIAF Oc1nc2cc3nc(-c4cc(Cl)cc(I)c4)[nH]c3cc2[nH]1 587183531 DHXUORRLRRLMQM-UHFFFAOYSA-N 410.602 4.070 0 1 HIAF Nc1cccc(C(=O)O)c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587248591 UQRMSRLVDRMXGY-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF CC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC(=O)c2cc(C)cc(N)c2O1 587411099 XPYFKWIMKUJDPD-HSZRJFAPSA-N 424.522 4.195 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4cc(Cl)cn4)c1)[C@@H](C2)C3=O 587420183 HIVQGSHFUKILOW-HTAPYJJXSA-N 410.857 4.091 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O[C@H](C)C(=O)O)c(Cl)c1)[C@@H](C2)C3=O 587424125 XLQFFZVESJAQML-LNJFIHSBSA-N 423.248 4.343 0 1 HIAF CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442583 QZZOIHHCUGHVOD-HOKASXAUSA-N 406.478 4.328 0 1 HIAF CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(OCC(=O)O)cc2O1 587536714 VYLWVVCAISUHTC-VWLOTQADSA-N 422.477 4.451 0 1 HIAF COC(=O)C1C[C@@H]2CCC[C@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597610 ZLIXVTBHSUSGJW-YVCVIEJTSA-N 408.450 4.092 0 1 HIAF CC1(C)Oc2ccc(C(=O)O)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587615249 FVTVKXDBOOFHHS-DVECYGJZSA-N 418.401 4.119 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccco2)N1 587706719 QWRJXYGIDCIACL-ABKXIKBNSA-N 420.200 4.481 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(N3CCOCC3)c2)N1 587720779 UAUCWLPCSKJYLT-YUNKPMOVSA-N 423.301 4.188 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c(O)nc2-c2ccccc2)N1 587792537 OSUZJBLCJLQNOW-BMLIUANNSA-N 402.267 4.308 0 1 HIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O 587807380 NFOQTTYSKNICMP-YBTHPKLGSA-N 422.294 4.320 0 1 HIAF O=C1O[C@]2(C(=O)N(c3ccc(Cl)cc3)C(=O)N2c2ccccc2)c2ccccc21 653851987 UBJSIZKYCUXERT-QFIPXVFZSA-N 404.809 4.337 0 1 HIAF O=C(c1ccc(NCCN2CCN(c3ccc(C(=O)C4CC4)cc3)CC2)cc1)C1CC1 1857608923 CMSYCGPTIWYPMC-UHFFFAOYSA-N 417.553 4.106 0 1 HIAF CC(=O)O[C@H]1C[C@@H]2[C@]3(C)C[C@H](OC(C)=O)CC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2[C@@H](CO)[C@@]12C 2356441097 FPQQEIMHYJQCSQ-KENRVMAUSA-N 420.590 4.357 0 1 HIAF COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Cn1ccc2c(Cl)cccc21 2356536153 POMRNRAFYHJNEI-WIYYLYMNSA-N 417.981 4.034 0 1 HIAF COc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1OC1CCN(C(C)C)CC1 12703708 HOSJPJROAGJOCT-JOCHJYFZSA-N 408.542 4.364 0 3 HIAF CSc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(N4CCNC4=O)cc3)C2)cc1 13596947 USSRVEZWDCSYIZ-IBGZPJMESA-N 409.555 4.033 0 3 HIAF CCN1CCN(c2ncc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc23)CC1 20108109 DRIGLOHKSIRHTN-UHFFFAOYSA-N 424.932 4.291 0 3 HIAF CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C[C@H](C(C)(C)O)O2 5854420 KQLMUJOKBRYEHR-LJQANCHMSA-N 422.477 4.454 0 1 HIAF biogenic,in-vitro N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3c(C3CCCCC3)ccc2=O)cc1 25435262 IRVUEPNHBMYVOD-NQIIRXRSSA-N 401.510 4.027 0 1 HIAF biogenic CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C(=O)C1(C)C 27768233 JWXXDZSKQPBEGO-GKZQTZETSA-N 409.570 4.376 0 1 HIAF CN(C)CCCNc1cc(-c2ccc(CN3CCN(C)CC3)cc2)nc2ccccc12 28246855 JKXOAMHPRJMDNP-UHFFFAOYSA-N 417.601 4.013 0 1 HIAF Cc1ccc(-c2nc(CCC(=O)c3ccc(C[C@H]4SC(=O)NC4=O)cc3)co2)cc1 29546555 DEGQTADXGQUCNL-HXUWFJFHSA-N 420.490 4.360 0 1 HIAF CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)C(C)(C)C3)cc2[nH]1 40429146 FREVTQCDQDOYGR-UHFFFAOYSA-N 411.015 4.390 0 1 HIAF Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cccc23)n[nH]1 72178622 NOHJLJNUPONZRF-UHFFFAOYSA-N 405.487 4.004 0 1 HIAF CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 103242154 BDYAGFDVEYDCAS-RPBOFIJWSA-N 406.618 4.254 0 1 HIAF CS(=O)(=O)c1ccc(C2=C(c3ccccc3)[C@@H](c3ccccc3)NC(=S)N2)cc1 103262511 XXRLUOMBNZKFPI-OAQYLSRUSA-N 420.559 4.177 0 1 HIAF CCCCCOc1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H]2CCc3ccccc3C2)cc1 135766720 CVJUGGSXRCYDMH-PGRDOPGGSA-N 408.542 4.048 0 1 HIAF O=C(O)c1nc2ccccc2n(C2C[C@@H]3CC[C@H](C2)N3C2C[C@H]3CCC[C@H](C2)C3)c1=O 140239404 WKPMMJFYKKQWLO-YLQJXANPSA-N 421.541 4.231 0 1 HIAF COc1ccc(COC(=O)C2=C(c3cccs3)NC(=O)N[C@H]2c2ccccc2)cc1 205385794 BALKLJYKTFYRRF-FQEVSTJZSA-N 420.490 4.265 0 1 HIAF COc1c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)n[nH]c1Cl 219041500 XYWRURMEPYLAQC-UHFFFAOYSA-N 420.900 4.467 0 1 HIAF CNC(=O)N1C[C@@H]2C=C(c3cc4c(-c5cc(F)ccc5OC)c(F)cnc4[nH]3)C[C@H]2C1 226059424 HHYFMYBAZZMYSH-KBPBESRZSA-N 424.451 4.191 0 1 HIAF Cn1c2c(c3ccccc31)CC(=O)N(c1cccc(F)c1)[C@@H]2C(=O)NC1CCCCC1 299832836 WOJFETDRCCSIEX-DEOSSOPVSA-N 419.500 4.397 0 1 HIAF NC(=O)Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 586986866 GIHOLRFGIYWEOC-UHFFFAOYSA-N 419.440 4.259 0 1 HIAF COc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586987693 QQMABQXNGVHUCV-UHFFFAOYSA-N 410.429 4.342 0 1 HIAF COc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 586991989 LTLWWSWUOLBPNB-UHFFFAOYSA-N 411.413 4.455 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](N)c3ccccc3Cl)nc2c1 587056957 LRZQXUGXSMGKRS-CQSZACIVSA-N 422.710 4.398 0 1 HIAF O=C1CCc2cc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3cc2N1 587116519 FWYJVGOVXOJYAS-UHFFFAOYSA-N 423.826 4.436 0 1 HIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cncc(Br)c2[nH]1 587258222 BGUUJPMERRZZSL-INIZCTEOSA-N 424.302 4.292 0 1 HIAF Nc1cccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587334703 KDZNNDZFBYBRQB-LADGPHEKSA-N 421.424 4.233 0 1 HIAF Cc1ccc(Cn2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc(Cl)c2=O)cc1 587382385 PJEQRQPLKFXIHV-OAQYLSRUSA-N 408.885 4.456 0 1 HIAF CCOC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 587401691 WMRRPHMOGDGAEK-VWLOTQADSA-N 417.461 4.113 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1c(F)cc(C(=O)OC(C)(C)C)cc1F)[C@@H](C2)C3=O 587424705 SPROBPJTFNERHF-RBZFPXEDSA-N 402.393 4.417 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCC(F)(F)F)nc1 587551374 ZZANEWKVAWZTDS-PXNSSMCTSA-N 417.339 4.431 0 1 HIAF C[C@H](C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)NC(=O)OC(C)(C)C 587572720 QIUREONMILYSCH-SXHVTTPXSA-N 413.470 4.416 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587792239 BCZRNTRRHGVXEF-ODXCJYRJSA-N 422.294 4.025 0 1 HIAF COc1ccc2c(c1)CCC=C2Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587935725 URWTYPWAYINVLW-UHFFFAOYSA-N 413.481 4.203 0 1 HIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587938344 VCTZARFTUCRHQG-RFAUZJTJSA-N 401.335 4.458 0 1 HIAF COC(=O)c1ccccc1-n1cccc1[C@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962617816 CFJGJIVBKCLTCZ-HJPURHCSSA-N 420.509 4.247 0 1 HIAF COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c(Cl)c1 962701472 RARHXIZCDFULHE-CVEARBPZSA-N 403.759 4.195 0 1 HIAF CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12c1ccsc1CCN2Cc1ccco1 962711632 UEHQZPKPYPFZQI-DENIHFKCSA-N 418.559 4.251 0 1 HIAF CCOC(=O)c1ccccc1[C@@]1(C(=O)OCC)NCCc2c(Cl)cc(Cl)cc21 963115150 ZNHADCUQZKIBNC-OAQYLSRUSA-N 422.308 4.123 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](C(=O)OCc1cccc(N)c1)[C@@H]2O 1772609939 RHBWQXNFAJOKER-AEFAGOJLSA-N 421.537 4.161 0 1 HIAF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCC[C@@H](C)C2)cn1 1772637658 SRYFAAODYUIKSL-FZKQIMNGSA-N 407.345 4.295 0 1 HIAF COc1ccc(CN2C(=O)C3(OCCO3)c3cc(-c4ccc(OC)cc4)ccc32)cc1 1857764016 WMKGTZOSXSVDFZ-UHFFFAOYSA-N 417.461 4.117 0 1 HIAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)on1 61895711 SBPXWFQJUPVPCB-GOSISDBHSA-N 405.454 4.443 0 3 HIAF C[C@@H]1CC(C)(C)NC(=S)N1CCCC(=O)Nc1ccc(OC(F)(F)F)cc1 3654927 SPZVHRMJXHFVPQ-GFCCVEGCSA-N 403.470 4.051 0 1 HIAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4208357 LKIKRFUYRAOTBB-HFYSXDIOSA-N 406.935 4.017 0 1 HIAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC 4296899 ILCNFUAYPDLQLX-TZIWHRDSSA-N 416.905 4.365 0 1 HIAF COc1ccc(CCNC[C@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC 13780731 GOEQMVDHLGAJRV-QFIPXVFZSA-N 418.537 4.304 0 1 HIAF CC(C)n1cnc2c(NCc3ccccc3)nc(NC[C@H](O)c3ccccc3)nc21 13834591 UHNMGPMUDCVDGX-IBGZPJMESA-N 402.502 4.165 0 1 HIAF Brc1cccc(Nc2ncnc3cnc(NCCCn4ccnc4)cc23)c1 21289179 IUQWETRSDSASNL-UHFFFAOYSA-N 424.306 4.230 0 1 HIAF CC1([C@H](O)/C=C/[C@@H]2[C@H]3C/C(=C/CCCC(=O)O)C[C@H]3C[C@H]2O)Cc2ccccc2C1 26143473 MQWSTBYQAHHSQY-LTHVTBGDSA-N 410.554 4.297 0 1 HIAF COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@@H](O)[C@H]3CCCCN3)c2c1 27523583 GFOSNCCJLRKHLB-CZUORRHYSA-N 408.342 4.457 0 1 HIAF O=C(O)c1c[nH]c2cc(OCCOc3ccc(Oc4ccccc4)cc3)ccc2c1=O 27719639 QLOIRGPDHJSJPO-UHFFFAOYSA-N 417.417 4.476 0 1 HIAF O=S(=O)(c1ccccc1)N1CCCc2ccc(OCCCN3CCCCC3)cc21 36188032 ALVOJCHAICRHNH-UHFFFAOYSA-N 414.571 4.083 0 1 HIAF CC(C)N(CC[C@@](CCN1CCCCC1)(C(N)=O)c1ccc(Cl)cc1)C(C)C 40465284 CVYQFIMHRMESMK-HSZRJFAPSA-N 408.030 4.448 0 1 HIAF O=[N+]([O-])OCCCO[C@]1(c2ccc(-c3ccccc3)cc2)CN2CCCC[C@H]2CO1 58519705 GBXOBAOTOKUUGH-XZOQPEGZSA-N 412.486 4.006 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H]3CCCC[C@H]3O)CN(C)[C@H]1C2 58563977 GSCVQDHIWDOSEW-OVHBNXAFSA-N 410.558 4.029 0 1 HIAF COc1cncc(N2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)c1 72186262 MLMCWCHHGDAHAU-QHCPKHFHSA-N 408.933 4.487 0 1 HIAF Cc1ccc2c(ccn2S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c1 96175176 HYOHFZVQACJCLG-APWZRJJASA-N 405.523 4.028 0 1 HIAF CN1CCN(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1 96270777 XBGWAKUQSRNWMA-UHFFFAOYSA-N 420.520 4.363 0 1 HIAF in-vitro COc1cccc(OC)c1[C@H]1[C@H]2C[C@@H]2C(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258939 VCMQBVOUDONKQG-YZVOILCLSA-N 407.388 4.322 0 1 HIAF CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 169719087 LGELEWDEOBTUOD-UHFFFAOYSA-N 401.821 4.187 0 1 HIAF CNc1nc(-c2nc(-c3ccccc3)c(C)n2Cc2ccccc2)cn2c(C)nnc12 209366973 FCQIYPQMTYFWQM-UHFFFAOYSA-N 409.497 4.362 0 1 HIAF C[C@@H]1Cc2c(ncnc2-c2ccn[nH]2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl 219510546 RJHQOFYJQSLLNO-SNVBAGLBSA-N 421.810 4.126 0 1 HIAF COc1cc(F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 225108593 OXHNYFPQJUTHIF-UHFFFAOYSA-N 415.471 4.307 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccccc4OC(F)F)ncc23)ccn1 261160523 QTFZMCLYDFDLMI-UHFFFAOYSA-N 424.411 4.251 0 1 HIAF COc1cc(OCC=C(C)C)c(Br)cc1/C=C1\SC(=O)N(C)C1=O 299838539 NBESZGCAZMNQIF-NVNXTCNLSA-N 412.305 4.469 0 1 HIAF Oc1ccccc1C1(c2nc3c(I)cnc(Cl)c3[nH]2)CC1 586896660 HKOBBXCKINIAQU-UHFFFAOYSA-N 411.630 4.001 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C)cc2[nH]1 586935503 IMMQEMUOVXTJAW-QGZVFWFLSA-N 403.573 4.261 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccnc(OC)c3[nH]2)c1 587049991 LJUXGLPZXVZZGC-BQYQJAHWSA-N 413.865 4.010 0 1 HIAF Cc1nc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2cc1Br 587117737 LBMUEVKIJXBYQJ-UHFFFAOYSA-N 400.202 4.170 0 1 HIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(O)c4[nH]3)cc2N1 587125247 DBZITVULHLJSJA-QUBYGPBYSA-N 416.201 4.202 0 1 HIAF N[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(Br)cc1F 587142628 IIPASWPGCTWGGY-NSHDSACASA-N 403.177 4.121 0 1 HIAF O=C1COc2cc3[nH]c([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)nc3cc2N1 587152199 XMPTZLWYDWMDAX-NRFANRHFSA-N 407.376 4.340 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587230602 IXTHMGWHDHRZKC-NWDGAFQWSA-N 403.832 4.272 0 1 HIAF CCOC(=O)c1cc(Br)c2nc(C(=O)Nc3ccccc3CC)[nH]c2c1 587241168 PLHCSFGOJYNEFF-UHFFFAOYSA-N 416.275 4.317 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(Cc3ccc(Cl)cc3Cl)nn1)O2 587375362 LMRALSOKPHYOKT-HXUWFJFHSA-N 417.296 4.404 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nnc(S)s1)(c1ccccc1)O2 587412034 GORNTRXJDRZYTM-IBGZPJMESA-N 415.565 4.370 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCNc4ccc(Br)cc41)[C@@H](C2)C3=O 587418350 PLGRBFRDGTWMAU-MGPUTAFESA-N 400.272 4.306 0 1 HIAF C=CN1CC[C@@H]([C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475583 PSMHVOLAWJXPEF-NLFFAJNJSA-N 421.493 4.206 0 1 HIAF C[C@@]1(c2ccc(S(=O)(=O)C(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502533 FJUOGQOZGUPHJW-NRFANRHFSA-N 406.450 4.442 0 1 HIAF CS(=O)(=O)c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622963 VPJVTHSCDAKXLD-UHFFFAOYSA-N 408.252 4.016 0 1 HIAF COc1ccccc1-n1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757879 HYTCPVGKTOIEKB-MPBGBICISA-N 416.294 4.406 0 1 HIAF COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587809538 QYAAKKXBIJGRML-MPBGBICISA-N 422.294 4.239 0 1 HIAF CCc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(S)n1 587844054 LSZALFRXVABWRY-DYBLOJMWSA-N 410.356 4.335 0 1 HIAF C=CC(=O)N1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](c2ccccc2)C1 621478269 LHVWVPNRJFLMQL-IRXDYDNUSA-N 418.415 4.342 0 1 HIAF O=C(C[C@@]1(c2ccc3c(c2)OCO3)NCCc2c(Cl)cc(Cl)cc21)C(F)F 963119759 ICLGTBXSSXKYGR-IBGZPJMESA-N 414.235 4.336 0 1 HIAF COc1ccc2c(c1OC)[C@@](C)(c1ccc(C)c(F)c1F)NCC21CCOCC1 963192207 QIWZSYNOCKTXBR-JOCHJYFZSA-N 403.469 4.205 0 1 HIAF CCCN(CCC/C=C\c1ccc(O)c(OC)c1)[C@@H]1CCc2[nH]c(=N)sc2C1 1857543897 DCTJWNXQZKKVMP-XTKXOIQPSA-N 401.576 4.333 0 1 HIAF C[C@@]12CC3CC(N4C(=O)C(=O)N(C5C6CC7CC(C6)CC5C7)C4=O)(C1)C[C@](C)(C3)C2 1911579733 XMABCDAVUPRVJW-KIMUWBHISA-N 410.558 4.351 0 1 HIAF CC(C)N1C[C@H]2C[C@H]1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ccccc1O2 2356535201 PSYXNYQAUFWBSI-MJGOQNOKSA-N 420.431 4.362 0 1 HIAF Cc1cccc(C)c1NC(=O)[C@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 95605114 AXFDZHBDJOEPQH-RUZDIDTESA-N 414.505 4.447 0 3 HIAF COc1ccc(NC(=O)N(C2CCC(C)CC2)C2CCN(C(C)=O)CC2)c(OC)c1 4686660 WQGTVTURECCWCT-UHFFFAOYSA-N 417.550 4.127 0 1 HIAF COC(=O)CNC[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 35050543 HFYYJWVQBFQKAK-OZECAXSSSA-N 403.607 4.325 0 1 HIAF COc1cc2ncn(-c3cc(OCC4CCCCC4)c(C(N)=O)s3)c2cc1OC 40935407 WLALQQYUBWGRLL-UHFFFAOYSA-N 415.515 4.162 0 1 HIAF CC(=O)Nc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 49112725 RXBPOECJGWJGFO-ULBZPVTCSA-N 408.457 4.042 0 1 HIAF O=C(O)C1CN(Cc2ccc(-c3cn4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1 66066237 YNXRKXQXMZITLE-UHFFFAOYSA-N 415.468 4.248 0 1 HIAF CN1CCC[C@H]1CCNC[C@@H]1CCN(c2ncnc3scc(-c4ccccc4)c23)C1 146403096 IUHQQVBGHOMFGE-ICSRJNTNSA-N 421.614 4.259 0 1 HIAF NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 299829402 UIENTHYMVFALRL-XUTJKUGGSA-N 415.541 4.459 0 1 HIAF COc1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 586920232 GCSPOOJUJHNRHD-UHFFFAOYSA-N 404.797 4.218 0 1 HIAF Oc1nc(S)nc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587056389 NDWMOSXHUPFTBG-UHFFFAOYSA-N 409.254 4.493 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Br)c(O)c3[nH]2)C(F)(F)C1 587133149 YPCYJNJNEOWDEQ-MRVPVSSYSA-N 418.238 4.001 0 1 HIAF CCCc1nc(-c2nc3nc(C)c(Br)cc3[nH]2)nn1-c1ccccc1F 587156771 RKQUCWGSEZLTGL-UHFFFAOYSA-N 415.270 4.368 0 1 HIAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587225763 SUIDUQVBPYURDM-UHFFFAOYSA-N 407.257 4.368 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(Br)s1)O2 587411194 RQUPINWCWOKVPD-QGZVFWFLSA-N 410.289 4.127 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cnn(Cc4ccc(C(F)(F)F)cc4)c1)[C@@H](C2)C3=O 587420710 GWZWPTOKWQJHNY-LAUBAEHRSA-N 414.383 4.448 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4cccs4)c(OC)c1)[C@@H](C2)C3=O 587452179 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QGCHJERVPCMWEO-OTWHNJEPSA-N 410.562 4.280 0 1 HIAF CC(=CCCC(=CC[C@H]1OC(=O)C=C1CO)CO)CCC1=C(C)[C@H](O)CCC1(C)C 2356689860 BKHHGIGVYWPIJC-DHIUTWEWSA-N 418.574 4.143 0 1 HIAF CC[C@]1(C)Cc2c(sc3nc(SCC(=O)c4ccccc4)[nH]c(=O)c23)CO1 13638438 HWFJGTNYMAUNSF-HXUWFJFHSA-N 400.525 4.201 0 3 HIAF CCOC(=O)C1=CC[C@@H](c2ccc(CC)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 72141739 JAYGVJXFNIJPGV-QFIPXVFZSA-N 413.539 4.183 0 3 HIAF CC[C@H]1CCCCN1CCCNC(=O)[C@@H](NC(=O)C1CCC(C)CC1)[C@H](C)CC 13573549 PQZWZSQBGGMYCO-WHVLVZFFSA-N 407.643 4.114 0 1 HIAF CN(C)CCCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 27318938 AUOODTJUHZSBQU-UHFFFAOYSA-N 414.340 4.419 0 1 HIAF CCOC(=O)c1cccc(-c2cncc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1 35919111 LAUOTLUUDUQZKV-UHFFFAOYSA-N 409.442 4.090 0 1 HIAF CC(C)N1C(=O)N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223920 VRNHCGWRSOWEIE-KOSHJBKYSA-N 401.466 4.000 0 1 HIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(NC(C)=O)c2)cs1 82195542 YOKAHCMXOJGJFD-IBGZPJMESA-N 400.548 4.044 0 1 HIAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccc2)[C@@H]1CO 95877679 XCJZUGBCQYNSGZ-LNBJVWSJSA-N 412.533 4.297 0 1 HIAF COC1CCC2(CC1)Cc1ccc(OCCC(F)(F)F)cc1[C@]21N=C(C)C(N)=N1 169708565 JJEORDNWHQBLEW-FFYTWODTSA-N 409.452 4.134 0 1 HIAF CC(C)=CCc1c(O)c2c(c3c1O[C@H](C(C)(C)O)C3)OC[C@@H](c1ccc(O)cc1)C2=O 238789209 ODCYMWRNQUTVAA-OALUTQOASA-N 424.493 4.040 0 1 HIAF CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cnc(O[C@H]2CC[C@@H](C)CC2)nc1 253862404 CXWWGVRSDAMMTL-UWGQAIRJSA-N 423.513 4.209 0 1 HIAF CN(CCC(=O)NCCNc1c2c(nc3ccccc13)CCCC2)C1CCCCC1 299830707 OXQMOFFMFYUAFJ-UHFFFAOYSA-N 408.590 4.296 0 1 HIAF CC(=O)N[C@@H](Cc1nc2cnc3ccccc3c2[nH]1)c1ccc(Br)cc1 586985514 NKKIVPMUUDHWRD-KRWDZBQOSA-N 409.287 4.294 0 1 HIAF CC(=O)N[C@@H](Cc1nc2ccc3ncccc3c2[nH]1)c1ccc(Br)cc1 586986043 UWRSPLRYFQYEBK-SFHVURJKSA-N 409.287 4.294 0 1 HIAF CCS(=O)(=O)c1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1 586995032 CHLAZPHJRGHKQC-UHFFFAOYSA-N 423.332 4.433 0 1 HIAF CN(C)CCOc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029597 QRPVDDVKWMCRCM-UHFFFAOYSA-N 418.526 4.025 0 1 HIAF O=c1cccc(-c2nc3cc4[nH]ncc4cc3[nH]2)n1CCOc1ccccc1Cl 587064060 LIEXYDIDFCNEAA-UHFFFAOYSA-N 405.845 4.000 0 1 HIAF COC(=O)c1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1 587154926 VJUUQIOVQVIKFS-UHFFFAOYSA-N 419.412 4.173 0 1 HIAF C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342474 DXGKEFBKHFQCSM-NOQKTNJKSA-N 413.445 4.268 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCC(C)(C)O)O2 587375011 BAQRNHNUSFNWID-GOSISDBHSA-N 420.303 4.196 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587452912 VXBJKEDRALWTEW-CPJSRVTESA-N 400.430 4.393 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Oc3ccccc3)cc1)(C(O)O)CC2=O 587478809 BUFVIYSPQAZAMD-VWLOTQADSA-N 420.461 4.308 0 1 HIAF C[C@H](NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587569724 GZNUFHGJTUTRFE-HKFAVZMWSA-N 417.461 4.380 0 1 HIAF C[C@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649489 VVYXIOHNDPFTNM-JTQLQIEISA-N 422.300 4.189 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)nc2)N1 587685096 SCPILBYIVGVLPQ-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF CO[C@H](C)c1ccc([C@@]2(CN)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587751358 YBBHAZGAHXMQOY-MRRFBWAASA-N 407.327 4.032 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Cn2cccn2)N1 587755488 ACKNMIJDNPSJRE-ZUOKHONESA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(CCN)c3ccccc23)N1 587759421 SZFFULQNGOBNQH-ZSEKCTLFSA-N 416.338 4.299 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCC(=O)O)c2)N1 587790323 FXFANLRDJDRDAV-FKIZINRSSA-N 422.294 4.455 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCC(=O)O)cc2)N1 587796462 SXJSGOAOCFVNLV-NSPYISDASA-N 408.267 4.065 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)sc3c2CCOC3)N1 587857296 ZNRJISORBBOTSU-LZVRBXCZSA-N 411.340 4.102 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2ccn(C)n2)n1 587865593 CFTKFJDKQQHEQO-UHFFFAOYSA-N 414.391 4.147 0 1 HIAF COc1ccc(/C=C/Cc2nc3ccc(I)cc3[nH]2)c(OC)c1 587929740 PHSJXEPNJHLJAY-ONEGZZNKSA-N 420.250 4.441 0 1 HIAF Cn1cc(-c2ccc(Cc3n[nH]c4ccc(C(=O)N5CCC(F)(F)C5)cc34)cc2)cn1 653724984 CPFVIABLSKKULA-UHFFFAOYSA-N 421.451 4.035 0 1 HIAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@H]3c3ccnn3-c3ccccn3)C2)cc1 962648397 XPRCVMWFFRHECI-BKMJKUGQSA-N 407.521 4.104 0 1 HIAF C[C@@]1(Cc2c[nH]c3cccc(F)c23)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962659443 FLKQGIXIWNETEB-JWQCQUIFSA-N 417.484 4.412 0 1 HIAF Cc1ccc2c(Cn3cc(CSc4nc5ccccc5[nH]4)nn3)cc(=O)oc2c1C 1857610566 FKFKLDXWYLXYBE-UHFFFAOYSA-N 417.494 4.218 0 1 HIAF CCOc1cc(Cl)ccc1-c1ccnc(Nc2cc(C(N)=O)c(OC)cc2F)n1 1857645393 CKUHEEMBETZXOQ-UHFFFAOYSA-N 416.840 4.186 0 1 HIAF CCCC(=O)O[C@]1(C)CCC=C(C)C[C@H]2O[C@H]1[C@@H]1[C@H]3C[C@@H](OC[C@@H]3C)[C@](C)(O)[C@H]21 2356485018 PJCYPUODMUBESE-UIUFFBTBSA-N 406.563 4.024 0 1 HIAF CC=CC(=O)N(Cc1ccco1)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356875141 ZZWJAVCRIXZEQH-XMMPIXPASA-N 418.493 4.251 0 1 HIAF CCCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1 169341687 VYQMFMMKDYFTRR-UHFFFAOYSA-N 421.588 4.359 0 3 HIAF Cc1c(C(=O)c2ccccn2)oc2cccc(OCCCNCc3cccnc3)c12 3588099 KSMWRTSICDAGPU-UHFFFAOYSA-N 401.466 4.321 0 1 HIAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4212227 FLKLMFOVJUXKRI-BULFRSBZSA-N 403.567 4.166 0 1 HIAF C[C@@H](c1ccccc1F)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492047 GAPAYNNUVHYSJB-AWEZNQCLSA-N 406.436 4.499 0 1 HIAF C[C@H]1CCC[C@@H](C)N1CCCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O 13733905 JSCQBRSCYBBBBD-OYRHEFFESA-N 404.554 4.385 0 1 HIAF COc1ccc(-c2c3c(c(OC)c4cc(OC)c(OC)cc24)COC3=O)cc1OC 14640968 GQAJQAMRZKZXNJ-UHFFFAOYSA-N 410.422 4.220 0 1 HIAF biogenic CC(C)c1cccc2c1C(=O)N(COc1c(Cl)cccc1Cl)S2(=O)=O 26960906 JPUUPRZEVPEVMO-UHFFFAOYSA-N 400.283 4.298 0 1 HIAF C[C@@H](O)c1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 27527847 JZCHBJSHYLEUPN-PJQXDXOGSA-N 420.391 4.442 0 1 HIAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H](O)[C@]12Cl 27630560 DSKSZDBFUBYSCM-LSCGRMNGSA-N 420.977 4.459 0 1 HIAF N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cc3ccccc3cn2)CC1 40974210 ATBDAPSSXMURMK-OAQYLSRUSA-N 413.443 4.074 0 1 HIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1C(F)(F)F 62224587 AKVGOJGKVFSSNR-QGZVFWFLSA-N 411.420 4.455 0 1 HIAF CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCC(F)(F)C2)cc1 72118063 QKMSUYZQEWXVSN-UHFFFAOYSA-N 408.514 4.129 0 1 HIAF CCOC(=O)Cc1nc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)no1 73139112 PGKNFSQFXOTPTC-GOSISDBHSA-N 410.861 4.184 0 1 HIAF O=C(N1CCCCC1)N1CC(O[C@H](c2ccc(F)cc2)c2cccnc2Cl)C1 73258811 MAPMANCRSZAYIX-LJQANCHMSA-N 403.885 4.270 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OC)C(C)C)co2)cc1 82070285 BYQLHTMGOLZALU-LJQANCHMSA-N 402.491 4.228 0 1 HIAF Fc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3C[C@@H]2CCCO2)cc1 82185777 VECFOIAWGITFLT-INIZCTEOSA-N 409.490 4.485 0 1 HIAF CC(C)c1ccc2c(c1)C1(CCN(Cc3nccn3C)CC1)C(=O)N2c1ccccn1 84655242 LAXSFGIERHUITH-UHFFFAOYSA-N 415.541 4.151 0 1 HIAF CCn1c(=O)n([C@@H]2CCN(C[C@H]3CCCC34CCCC4)C[C@H]2CO)c2ccccc21 96888311 NINBTGRBXDYDNN-PWRODBHTSA-N 411.590 4.039 0 1 HIAF CSc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 96939943 DRNNLIYYRHXSSN-QGZVFWFLSA-N 422.550 4.451 0 1 HIAF COc1cc(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)ccn1 169303934 FNGIJSCCGBGRAO-UHFFFAOYSA-N 400.460 4.299 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C(C)=O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169370542 DIISWROLLPLGMW-PAPZRDAFSA-N 416.606 4.251 0 1 HIAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 586935343 FETQQWKQJKUYRA-SFHVURJKSA-N 414.918 4.440 0 1 HIAF Nc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1N1CCOCC1 586988428 RGIMPSLFZZSGMS-UHFFFAOYSA-N 423.472 4.238 0 1 HIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2C1 587034453 NBZLKPDOBUFERS-UHFFFAOYSA-N 424.526 4.469 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ccnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587240753 VYRDTEHNQRZZKE-CJAGKMTESA-N 406.914 4.166 0 1 HIAF Cc1cc(C)cc(O[C@H](C)C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587273681 NOVRQMBWABKOKU-GFCCVEGCSA-N 404.260 4.350 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433572 SIUKIBGWXFJUQH-JVFUWBCBSA-N 423.509 4.337 0 1 HIAF Cn1ccnc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567319 GLLPVYUFCXQDTD-GBXCKJPGSA-N 416.408 4.170 0 1 HIAF Cn1ccnc1C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580470 YCENCGFRHIASOA-RCZVLFRGSA-N 412.445 4.226 0 1 HIAF COCOc1ccc(OC)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594524 OKNUJNKBXAXZLQ-REWPJTCUSA-N 408.406 4.086 0 1 HIAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598748 VAYSEPHGGXELQD-TVVUZDRGSA-N 410.466 4.482 0 1 HIAF COc1ccc2c(c1)[C@]1(CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606786 DPNCDUVCIZEWSP-URXFXBBRSA-N 404.418 4.431 0 1 HIAF CC(=O)OCc1csc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587613205 MWRDQECDWHTNEX-KNQAVFIVSA-N 410.447 4.394 0 1 HIAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Br)cc1 587636762 HTHFBMWKRKNAHH-UHFFFAOYSA-N 416.227 4.036 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(Br)c2)N1 587688168 WZDSPIVNZPUWGF-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CN(C(=O)OC(C)(C)C)C2)N1 587758309 CTTPGZSBOKCILA-WYRIXSBYSA-N 413.331 4.205 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2c[nH]c3ccccc23)(C(=O)O)N1 587808525 ZMGCIYDUGJDPHC-YBTHPKLGSA-N 417.278 4.126 0 1 HIAF CCOC(=O)[C@@H](C(=O)c1ccc(OC)cc1)[C@@H](NC(C)=O)c1cccc2ccccc12 1857550966 XLBJLDIAFCTKRY-PKTZIBPZSA-N 419.477 4.088 0 1 HIAF CC(=C[C@@H]1C=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@@]12OC(=O)[C@](C)(O)C2=O)CCCc1ccoc1 2356421778 SUPAAFLITZURHL-NWYPAYCLSA-N 412.526 4.403 0 1 HIAF CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)cc1 4056088 OQPYEYVETXDPGO-IFMALSPDSA-N 412.917 4.414 0 1 HIAF Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3COC(=O)Nc2ccccc2)n1 8623384 MBZFEILWNWUTJO-SXLOBPIMSA-N 418.497 4.472 0 1 HIAF biogenic COc1c(Cl)cc(Cl)c(O)c1C(=O)NC1CCN(Cc2ccccc2)CC1 13820629 KCEKRQOLTANGPT-UHFFFAOYSA-N 409.313 4.102 0 1 HIAF FC(F)(F)c1ccc2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c1 35997467 IZMSCUZURSHMPP-UHFFFAOYSA-N 415.341 4.322 0 1 HIAF Cc1ccc(Cn2ncnc2[C@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1 38346987 SIGRQKDGQNYXER-QGZVFWFLSA-N 424.979 4.025 0 1 HIAF O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 71316568 BFCMVAIAYRXAMW-WCSRMQSCSA-N 423.277 4.335 0 1 HIAF CCCCCCc1ccc(OCCCCCCCC(=O)OC(CO)CO)cc1O 73159876 IFGYCSXHVCOPGU-UHFFFAOYSA-N 410.551 4.131 0 1 HIAF Cc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCN2CCCCC2)cc1 82179206 FMDRAJPINXNFJP-UHFFFAOYSA-N 416.529 4.493 0 1 HIAF c1ccc(CCCNc2ncnc3c2nc(-c2ccoc2)n3C[C@H]2CCCO2)cc1 82179894 KAYOEPHTLORHDQ-LJQANCHMSA-N 403.486 4.310 0 1 HIAF Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)o1 95562303 QDHQLBHNEMLECH-LICLKQGHSA-N 418.836 4.464 0 1 HIAF O=C(C[C@@H]1COCC[C@H]1N1CCC(O)CC1)c1ccc(C(F)(F)F)cc1C1CC1 96170665 ZSYAWJWLXIYYFL-FOIQADDNSA-N 411.464 4.017 0 1 HIAF COCO[C@@H](c1ccc(Br)cc1)[C@@H](Cn1ccnn1)c1ccccc1 96286444 KBPPMMMKJPYVTI-OALUTQOASA-N 402.292 4.186 0 1 HIAF COc1cc2c(cc1OC)C(=O)[C@@H](CCCCCCCc1cccc(OC)[n+]1C)C2 96938834 CLUYQVUXXFYWCW-SFHVURJKSA-N 412.550 4.475 0 1 HIAF c1cc(N2CCN(CCCOc3ccc4c(c3)CNCC4)CC2)c2ccsc2c1 115095051 FRUDQTZRVOVULE-UHFFFAOYSA-N 407.583 4.138 0 1 HIAF CN(C)Cc1ccc([C@@H]2Nc3cc(F)cc4c(=O)[nH]nc(c34)[C@H]2c2ccccc2)cc1 118621370 AYGBRSIXAPSSRF-GMAHTHKFSA-N 414.484 4.423 0 1 HIAF CC1=CC(=O)N(Nc2nc(-c3ccco3)nc3scc(-c4cccs4)c23)C1=O 146723023 BTFLORLRXUAQLV-UHFFFAOYSA-N 408.464 4.322 0 1 HIAF COc1cccc(Cl)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167357370 BRAJDCSRTSOQGO-LSDHHAIUSA-N 415.795 4.082 0 1 HIAF COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)C(=O)N1CCCC1 169593012 VMFSYAOFRDCFCY-UHFFFAOYSA-N 412.873 4.311 0 1 HIAF COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2nc(C)cs2)cc1OC 200429794 GDYUILPLFCCKDC-FDDCHVKYSA-N 424.522 4.444 0 1 HIAF Cn1cc(-c2cc3ccccc3o2)c2ccc(S(=O)(=O)Nc3ncns3)cc21 205425260 NBCPHYCWWCIAEM-UHFFFAOYSA-N 410.480 4.244 0 1 HIAF CC(C)(C)n1nnnc1[C@H](C1CCCCC1)N1CCc2c([nH]c3ccccc23)CC1=O 210352690 DPZXONJZHQLZGS-QFIPXVFZSA-N 420.561 4.158 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3ccc(F)cc3[nH]2)[C@H]1c1ccccc1Cl 587062504 WRNHGDTXASEFCC-MGPUTAFESA-N 401.869 4.449 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587150656 NIWQDOLJQUHVFK-GFCCVEGCSA-N 409.458 4.012 0 1 HIAF CCOc1ccc([C@@]2(CN)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587335098 KQUMQVAYOVHXAL-LADGPHEKSA-N 407.441 4.143 0 1 HIAF Cc1ccc2c(c1C)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352820 YBZBRQQXPKXYCS-RDPSFJRHSA-N 403.409 4.355 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(F)c(F)cc1C(=O)O)O2 587381520 IKHXVBWENDZKGD-HSZRJFAPSA-N 409.388 4.463 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(=O)Nc3ccccc3)cc1)O2 587390069 NOTPIHUUVWNLMZ-VWLOTQADSA-N 416.477 4.475 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCn4ccnc4)c(Cl)c1)[C@@H](C2)C3=O 587421708 WSOLMKGGDWPQIF-KSFYIVLOSA-N 410.857 4.113 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587441475 FWOSTVJYPITSPS-AVRDEDQJSA-N 407.466 4.435 0 1 HIAF C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612482 UYLLNJLFLYMEIS-QIAKTKIMSA-N 404.418 4.330 0 1 HIAF CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615696 HCBUMWNKRKULLI-WSUBETFTSA-N 418.445 4.437 0 1 HIAF O=C(c1ccc(COc2ccc(F)cc2)cc1)n1ncc2ccc(Cl)cc2c1=O 587652067 KNUJQTYFHMNKHF-UHFFFAOYSA-N 408.816 4.457 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(C(=O)O)N1 587703757 ZUFMXOMYICAILH-YPMLDQLKSA-N 412.686 4.298 0 1 HIAF CCOC(=O)[C@]12CCCC1=C[C@@]1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792901 DFPUMHLCPZPBOB-OUWQEXSBSA-N 408.311 4.381 0 1 HIAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2sc(=O)oc12 587856343 LUOAOEWUYURTSJ-BCTVWOGZSA-N 424.291 4.388 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c(C(=O)O)csc32)N1 587856477 IEDVIMYIBJNFLT-LZVRBXCZSA-N 410.308 4.462 0 1 HIAF CCOC(=O)c1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)c(Cl)c1 962640679 WYSUOVGSVTVFEU-ZSEKCTLFSA-N 403.906 4.500 0 1 HIAF Cc1ccnc2c1CCN[C@@]21CN(C(=O)OC(C)(C)C)CC[C@H]1c1cccc(F)c1 963071311 QRHIBOUYYBYPEJ-GBXCKJPGSA-N 411.521 4.295 0 1 HIAF Cc1ccc(-c2cc([C@H](C)[C@](O)(Cn3cncn3)c3ccc(F)cc3F)on2)cc1 1772629001 VIHPJFFCEFMBMJ-OYHNWAKOSA-N 410.424 4.211 0 1 HIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H](C)C3CCOCC3)c2cn1)c1ccccc1 1772633383 WLSSUKXDZCTMRL-HUUCEWRRSA-N 408.506 4.068 0 1 HIAF C[C@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc3c(c2)CCN3Cc2ccc(F)cc2)C1 1857558078 CMSGDSXKGDYZFN-CALCHBBNSA-N 417.550 4.023 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC(C)C)cc21 1857615891 ABDQJABRCOHCNY-UHFFFAOYSA-N 413.521 4.479 0 1 HIAF COC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 13737425 XSYGBVSQKPLETJ-WOZUAGRISA-N 401.453 4.095 0 1 HIAF OCCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3cc(C(F)(F)F)ccc32)CC1 26659620 SBIYOKBEEKCRRW-FPOVZHCZSA-N 408.439 4.031 0 1 HIAF CCC[C@H](NC(=O)Cc1ccc(C(=O)O)c(O)c1)c1ccccc1N1CCCCC1 27563025 VQOQJWWSLIZTCE-FQEVSTJZSA-N 410.514 4.281 0 1 HIAF CCCCC(=O)O[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 27981070 DFJYFYDMJKZJIN-HNOYHERFSA-N 404.547 4.340 0 1 HIAF Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(N)(=O)=O)cc1 28004390 GTFAMAFLHCYXBR-UHFFFAOYSA-N 401.511 4.253 0 1 HIAF O=C(OCc1ccccc1)N1CC[C@]1(Cc1ccccc1)C(=O)NC1CCCCC1 28475221 NSQRGKHDURGKNQ-VWLOTQADSA-N 406.526 4.459 0 1 HIAF COc1cc(NS(=O)(=O)c2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC 35064598 BMBVHLRTNSLCGK-UHFFFAOYSA-N 412.467 4.148 0 1 HIAF CN1C(=O)[C@@H](Cc2ccc(-c3ccc(O)cc3)cc2)NC(=O)c2cc(Cl)ccc21 40565195 IBOLNXSXEQFOKY-HXUWFJFHSA-N 406.869 4.030 0 1 HIAF Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(-c4ccccn4)s3)CC2)nc1 64548758 WXKSZOCNZQRXBJ-UHFFFAOYSA-N 424.545 4.248 0 1 HIAF C[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(Cl)c1 84714510 VAYFGQOETGYPTK-CQSZACIVSA-N 422.978 4.429 0 1 HIAF O=S1(=O)N=[S@](c2ccc(Br)cc2)c2ccc(C(F)(F)F)cc21 95561861 YNELQQJKQGMKNY-NRFANRHFSA-N 410.236 4.390 0 1 HIAF COc1cc(/C=C/c2nnc(-c3cncc(Br)c3)o2)cc(OC)c1OC 96284420 IAVOGVQEPNTQOW-SNAWJCMRSA-N 418.247 4.090 0 1 HIAF COc1ccc(CNc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1 146968932 CWGMLORJXNUQPL-UHFFFAOYSA-N 410.481 4.490 0 1 HIAF Cc1ccc(Cl)cc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 220240513 BXNORRGHXDHNQQ-UHFFFAOYSA-N 421.931 4.436 0 1 HIAF CN=[S@@](=O)(c1ccccc1)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 299868661 SBTFVXGFLOHBSX-GDLZYMKVSA-N 405.479 4.274 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)nc3[nH]2)C[C@@H]2CCCC[C@@H]21 586958894 IYYDDGYGSLZBFD-JQFCIGGWSA-N 416.934 4.306 0 1 HIAF O=[S@@](Cc1nc2cc3c(cc2[nH]1)OCCO3)C(c1ccccc1)c1ccccc1 586959602 KKKUIXHKDAMMSJ-LJAQVGFWSA-N 404.491 4.372 0 1 HIAF COC(=O)c1cc2nc(-c3cccc(NC(N)=O)c3)[nH]c2c(F)c1Nc1ccccc1 587242299 PVKXYESDFMNCRM-UHFFFAOYSA-N 419.416 4.390 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cn3cccc(Br)c3n1)CC2=O 587458537 KUYWHQMDAYFWBN-KRWDZBQOSA-N 401.260 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc3ccccc3n1)(C(=O)OCC)CC2=O 587487241 DXIKJGVDGXFCJN-RUZDIDTESA-N 419.477 4.403 0 1 HIAF CC(C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CO 587597229 UIUSEKYTDQQOCM-QPPBQGQZSA-N 406.434 4.375 0 1 HIAF CCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)n1 587720884 OOCKYDQKHFDADG-RMLUDKJBSA-N 406.221 4.447 0 1 HIAF Cc1cnn(Cc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c1 587756413 DKKFKEUNRCZFEN-CWTRNNRKSA-N 404.283 4.358 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CN(C(=O)OC(C)(C)C)C2)N1 587761883 QRYYQHULGXRMDM-NSPYISDASA-N 413.331 4.205 0 1 HIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587785354 NKTHKESZVBZEIQ-WDEREUQCSA-N 406.667 4.317 0 1 HIAF COc1ccc(-c2ccc(CCC(=O)O)n2-c2nc(N3CCCCC3)ncc2F)cc1 587945755 QNAKYKZUORRIEE-UHFFFAOYSA-N 424.476 4.090 0 1 HIAF Cc1cc([C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)ncc1Br 962772322 VUFFDGRLJMWPLF-PBHICJAKSA-N 413.237 4.062 0 1 HIAF C[C@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(N4CC[C@@H](F)C4)ccc23)C1 1857586256 TYVVUDSQBIAFBI-KIMHZCHSSA-N 419.928 4.107 0 1 HIAF CC(=O)OCC(C)=CCCC(C)=CCc1cc(C=CC(=O)O)ccc1OC(C)=O 2356332023 ZFABTKDVNCKHFN-UHFFFAOYSA-N 400.471 4.488 0 1 HIAF COc1cc([C@@]23CCCN(CC[C@@H](C(C)(C)C)C2)C32OCCO2)cc(OC)c1OC 169294018 OLIKGRJYXFKMQB-UZUQRXQVSA-N 419.562 4.203 0 3 HIAF CC(C)c1ccc(NC(=O)C2=CN3CCN(Cc4ccc(F)cc4)C(=O)N=C3O2)cc1 205234727 LMCGRQBXZDCENA-UHFFFAOYSA-N 422.460 4.053 0 3 HIAF C[C@H](C(=O)Nc1ccc2ccccc2c1)N1C(=O)C(=O)c2cccc(Br)c21 9506968 UOMDJNOSNSTKFA-GFCCVEGCSA-N 423.266 4.159 0 1 HIAF CCN(CC)C[C@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21 22863744 RLUNJKJUFRFYJM-LJQANCHMSA-N 420.557 4.113 0 1 HIAF CCCc1nc(CC)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1F 26164263 WWIFKPMCZOQIDV-UHFFFAOYSA-N 418.476 4.245 0 1 HIAF COc1ccc(C(=O)[C@H]2C[C@@H]2CN2CC=C(c3c[nH]c4ccc(OC)nc34)CC2)cc1 45187454 FSKWYDPPJOVLNC-QUCCMNQESA-N 417.509 4.188 0 1 HIAF COc1cc2nc(NCCc3ccccc3)nc(NCc3nccs3)c2cc1OC 45196146 MEHKPBYORDVVAB-UHFFFAOYSA-N 421.526 4.370 0 1 HIAF O=C([C@H]1CCCCN1)N1C[C@@H](c2ccccc2)c2ccccc2[C@@H]1CN1CCCCC1 58482615 DEJHKAVMUZLZED-NXCFDTQHSA-N 417.597 4.330 0 1 HIAF COC(=O)C[C@@H]1c2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c2N1C)OCO4 73196126 UKDTULYYEZMCBZ-MRXNPFEDSA-N 405.406 4.018 0 1 HIAF biogenic COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82071688 ZWQQIVHMUMMQFZ-SFHVURJKSA-N 412.536 4.015 0 1 HIAF c1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCN2CCCCC2)cc1 82178399 RDTSGXHHZOPLMK-UHFFFAOYSA-N 402.502 4.184 0 1 HIAF Cc1nc2ccc(CN3CCC[C@@H](CO)C3)cc2n2c(-c3ccccc3Cl)nnc12 95595316 XYHOTKZGFKCGHN-QGZVFWFLSA-N 421.932 4.111 0 1 HIAF O=C(Nc1nccs1)[C@H](CC1CCCCC1)n1cnc2ccc(F)cc2c1=O 95604727 HETBALZVBPDEQB-KRWDZBQOSA-N 400.479 4.142 0 1 HIAF in-vitro Cc1nc2c(c(-c3ccn[nH]3)n1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 219451845 QWPHGWGZUGHEEZ-UHFFFAOYSA-N 421.810 4.046 0 1 HIAF CN(C)C(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587018373 XGYQWOUGVZOCEZ-UHFFFAOYSA-N 414.494 4.680 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(C(F)(F)F)cc4[nH]3)cc12 587037650 MBMQZHRGZBKSEW-VIFPVBQESA-N 407.421 4.329 0 1 HIAF COc1ccccc1CNC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104651 SYHIKPXQABGMEE-UHFFFAOYSA-N 408.457 4.314 0 1 HIAF Cc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1Cl 587183669 GGZFEYUHZAOUMY-CYBMUJFWSA-N 411.674 4.372 0 1 HIAF CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587379934 YMYKJZBLLWAZOM-HTAPYJJXSA-N 401.890 4.377 0 1 HIAF CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420560 INTCXGZJFSGFGO-STSQHVNTSA-N 414.885 4.277 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(F)c2)c1 587571680 OFXBHOWSXFTYLX-OFNKIYASSA-N 402.381 4.420 0 1 HIAF CCCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608781 SRXWIZTXOOQMOI-OFNKIYASSA-N 424.474 4.279 0 1 HIAF C[C@H]1CN(Cc2ccccc2)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587763171 XHMNOIKUENSVBI-ZSDSOXJFSA-N 403.339 4.470 0 1 HIAF CCCCn1c(O)nc(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1=O 587866924 STDCMBPMCVJTCP-UHFFFAOYSA-N 422.407 4.019 0 1 HIAF Cc1nn(C[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1Br 587872580 OOEGAMRGGXWANW-SECBINFHSA-N 419.254 4.347 0 1 HIAF COC(=O)[C@H](n1cccc1[C@@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1C)C(C)(C)C 962641394 SCGWOTYFIBWYAP-YDFBLROQSA-N 414.546 4.231 0 1 HIAF Oc1ccc(I)c([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963101364 RFVFIOGDVCCVMI-SGTLLEGYSA-N 409.242 4.246 0 1 HIAF COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3n2CCOCC3)ccc1OC(F)F 1772571621 OCKTURZLTOIAQU-UHFFFAOYSA-N 415.440 4.412 0 1 HIAF C[C@@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)F)cn4)ccc3n2)C[C@@H](C)N1 1772617703 IDNDWBZRKZOKQO-ZIAGYGMSSA-N 412.440 4.182 0 1 HIAF COc1cc(-c2cc3c(cn2)[nH]c(=NCc2cccc(C)c2)n3C)cc(OC)c1OC 1857597968 BDNVVSCWPSOUAM-UHFFFAOYSA-N 418.497 4.004 0 1 HIAF COc1cc(CC(=O)N[C@@H]2CCc3ccc(-c4cn5c(n4)CCC5)cc32)ccc1C 1857656499 WHKWYCMXCHKNSQ-OAQYLSRUSA-N 401.510 4.160 0 1 HIAF Cc1cccnc1CN1C[C@@H](F)[C@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 2356299184 ARKCTNYFGHCAEF-RDTXWAMCSA-N 408.399 4.024 0 1 HIAF Cc1c2c(c(O)c3c1O[C@]1(C)CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]1C3)C(=O)OC2 2356325320 XBGQHUQSZVWBPL-GQSQBFQYSA-N 400.515 4.278 0 1 HIAF CC[C@@H](NCCCn1ccc(NC(=O)OCc2ccccc2)nc1=O)c1ccccc1 61922435 UJAVUCSTYFWNJV-OAQYLSRUSA-N 420.513 4.123 0 3 HIAF CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2ccc(F)c(F)c2)O3)cc1 61926921 BRPKPGUKQZHDTE-DEOSSOPVSA-N 423.463 4.103 0 3 HIAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@H]1c1cccc(F)c1 95598936 WBJWTERAHZMGAA-SFHVURJKSA-N 404.894 4.358 0 3 HIAF O=S(=O)(Nc1cc(NCC2CC2)c2[nH]nc(Cl)c2c1)c1ccc(Cl)cc1 13531358 WZSUZPBMPKWIPS-UHFFFAOYSA-N 411.314 4.492 0 1 HIAF COc1ccc2c(c1O)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@@H]3CCCCN3[C@H]2C1 14828685 USNBCAPIYYPNGO-ZWOKBUDYSA-N 423.509 4.321 0 1 HIAF biogenic O[C@@H](Cc1cccc(I)c1)CN1CCC(c2ccccc2)CC1 26577529 UVPPXDJDDXLXTL-FQEVSTJZSA-N 421.322 4.074 0 1 HIAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cccc(N)c3)CC[C@@H]12 26952577 GXYDBTCLBZLDRJ-FKHIRMOZSA-N 407.558 4.121 0 1 HIAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3ccc(Cl)cc3)CC1)OCC2 27883525 ODPWESVJJBIVJS-OAQYLSRUSA-N 416.949 4.183 0 1 HIAF COc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O 28948887 VZCFCMVPYUTSDC-UHFFFAOYSA-N 420.852 4.397 0 1 HIAF CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2C=C[C@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 40786848 OUOTWPPGMFPYRH-OVCFKVRTSA-N 412.551 4.404 0 1 HIAF CC[C@H](CO)Nc1nc(Nc2cccc(-c3cccnc3)c2)c2ncn(C(C)C)c2n1 40864786 GGGDZMUVJAUUIX-GOSISDBHSA-N 417.517 4.396 0 1 HIAF CC1(C)CC[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)c(C(N)=O)cc5[C@H]4CC[C@@]32C)OC1=O 49014173 MPWOCIZCAATDDM-SSAGCIKKSA-N 411.542 4.449 0 1 HIAF O=C(O)Cc1cccc(C2=C3Cc4cc(CNC5CCC(O)CC5)ccc4[C@@H]3N=N2)c1 87612918 PSNCJTUMVUJRTN-FGJIOPLASA-N 417.509 4.181 0 1 HIAF CN(CCN)C(=O)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1 96258297 WIVMAESXMJYEET-UHFFFAOYSA-N 403.511 4.133 0 1 HIAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccsc5)cc34)cn2)CC1 96274083 MBDDGSKUZPVINA-UHFFFAOYSA-N 407.499 4.185 0 1 HIAF CN1[C@@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 100633043 OBYIQVADFNDRMU-QVKFZJNVSA-N 405.523 4.184 0 1 HIAF COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(Cl)c(C(C)(C)O)c2)n1 103237171 UFCHSFMYFXETIG-UHFFFAOYSA-N 416.884 4.222 0 1 HIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N[C@H](C)CO)no2)cc1C#N 118266462 KWBICGIAQJQQIG-VFNWGFHPSA-N 418.497 4.020 0 1 HIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@H]2C(C)C)c2n1CCOC2)c1ccccc1 146101902 JVWIUNXXVRHMMM-RTWAWAEBSA-N 423.557 4.160 0 1 HIAF O=C(NCCCCC1CCN(C(=O)C2CCCCC2)CC1)N1Cc2ccncc2C1 166546116 RHNNBAHRTZUDTR-UHFFFAOYSA-N 412.578 4.096 0 1 HIAF COc1ccc(C[C@@H]2C[N+]3=C(NC[C@H]3CC3CCCCC3)N2CC2CCCC2)cc1 169721154 LTOSYUMARDRUGJ-DNQXCXABSA-O 410.626 4.423 0 1 HIAF CCOC(=O)c1c(C)nc2sc(C(C)=O)c(N)c2c1-c1ccc(OC)c(OC)c1 299831376 DQYRTPYWRDFIPA-UHFFFAOYSA-N 414.483 4.250 0 1 HIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Br)ncc2[nH]1 587198397 IMCGRIDRQKAGQB-UHFFFAOYSA-N 422.286 4.246 0 1 HIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CO 587354911 WCDCNNDJMDUICE-UPVQGACJSA-N 408.425 4.307 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H]1CN(C)CCO1)CC2=O 587463833 YZLPYGAPSNGAIL-GMAHTHKFSA-N 415.917 4.189 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCS(=O)(=O)c3ccc(Cl)cc31)CC2=O 587492185 NLJBHYYQSNZUQZ-HXUWFJFHSA-N 406.887 4.036 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc(Cl)cc2)nn1 587551974 LVNFORAUUDRZGP-UGKGYDQZSA-N 419.824 4.329 0 1 HIAF CN(C(=O)OC(C)(C)C)C(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571439 KTJKDAVXAQBWAA-FXAWDEMLSA-N 413.470 4.368 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cncc(Br)c1 587652965 AGBDYMPMNRRWID-UHFFFAOYSA-N 414.209 4.488 0 1 HIAF CCN(CC)c1ccc(-c2nn(Cc3cccnc3)c(=O)c3ccccc23)c(O)c1 587664607 GCBRACJSGOITCF-UHFFFAOYSA-N 400.482 4.059 0 1 HIAF CCOC(=O)[C@H](C(F)(F)F)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587708302 AUSYTUJQMKDYBX-IIRLODAESA-N 412.221 4.079 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587734836 WGNYSOIDCBREKB-MPBGBICISA-N 424.285 4.458 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)CC(C)(C)C)CC2)N1 587767074 IIPRGFUIRJQVAJ-ZDUSSCGKSA-N 411.359 4.376 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCOCC2)N1 587769907 BRZZSYMIYCVHAL-ZUOKHONESA-N 405.311 4.048 0 1 HIAF CCOc1ccc(OCC)c(-c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)c1 587777625 CFJACMKXMXNZLZ-UHFFFAOYSA-N 417.531 4.058 0 1 HIAF COc1ccc([C@](C)(O)C[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587810533 SUPQANZGLLRUAU-GIJMVEMTSA-N 408.311 4.470 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3nncn3C)o2)N1 587845308 QHZIOANUMKXXTA-FVMDXXJSSA-N 423.311 4.085 0 1 HIAF Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1 653691047 BQFUPYCDLGZOSL-UHFFFAOYSA-N 416.220 4.343 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@@]21CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 963258154 OCRMGUQNALIKTM-RBBKRZOGSA-N 419.974 4.415 0 1 HIAF Cc1cnc([C@@H](CC(=O)O)c2cc(Cl)cc(-c3ccccc3C(N)=O)c2)s1 1772607253 YZHXYNABHALLTQ-KRWDZBQOSA-N 400.887 4.477 0 1 HIAF Cc1ccc2c(c1)nc1n2[C@H](CN(Cc2nccs2)Cc2nccs2)COC1 2356300068 STGHBOMKNCGGQH-OAHLLOKOSA-N 411.556 4.031 0 1 HIAF Cc1c2c(c(O)c3c1O[C@]1(C)CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]1C3)C(=O)OC2 2356325322 XBGQHUQSZVWBPL-HSIIQGLMSA-N 400.515 4.278 0 1 HIAF O=C(c1cc2ncccn2n1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1F 13637025 PBGVDDGNEFKXFU-QHCPKHFHSA-N 411.440 4.138 0 3 HIAF CCOC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1 73280817 VKUPYUAAOPDZKP-UHFFFAOYSA-N 401.426 4.446 0 3 HIAF CCOC(=O)N1C(=O)C[C@](Sc2ccc(C)cc2)(C(=O)OC)[C@H]1c1ccccc1 95570695 TUEQIVLVLMWNDQ-DENIHFKCSA-N 413.495 4.129 0 3 HIAF COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 776121 MZKSZXWTSXMUMO-NRFANRHFSA-N 410.514 4.048 0 1 HIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215851 QZJCVURTHVIUMR-KSEOMHKRSA-N 414.571 4.482 0 1 HIAF C[C@@H]1CCC[C@@H](C)N1CCCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O 13733899 JSCQBRSCYBBBBD-NHCUHLMSSA-N 404.554 4.385 0 1 HIAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)NCc1cccs1 25430225 VOUABYGCUDMSHK-DLBZAZTESA-N 415.559 4.343 0 1 HIAF biogenic COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(N4CCCCC4)c3Cl)nc2c1 26149349 XCNBZFNYBJKAQW-MUUNZHRXSA-N 418.950 4.226 0 1 HIAF O=C(NCc1cccc(-c2cccc(CN3CCNCC3)c2)c1)c1ccccc1Cl 40430437 CIUIHVMKWIARKD-UHFFFAOYSA-N 419.956 4.342 0 1 HIAF CCn1c2ccncc2c2cc(NS(=O)(=O)c3ccc(OC)cc3OC)ccc21 64548722 MIVJDBZVZCHNLS-UHFFFAOYSA-N 411.483 4.027 0 1 HIAF COc1cc(C(=O)c2cc(-n3cccn3)ccc2-c2ccco2)cc(OC)c1OC 64574048 WTIOTADEWRZEMK-UHFFFAOYSA-N 404.422 4.389 0 1 HIAF CCc1cc(=O)c2ccc(OC)c(COC[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 72116904 ZHLZQZJYVQFZBE-XZOQPEGZSA-N 400.471 4.003 0 1 HIAF O[C@H](CNCCNC1CCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181369 HRHDTYNRGXPHDB-OAHLLOKOSA-N 421.385 4.038 0 1 HIAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(-c3ccncc3Cl)nnc2c1 84742105 PSSUWUIIIHFRMQ-UHFFFAOYSA-N 403.873 4.312 0 1 HIAF CNCCCN(C)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 140472636 KROJYNLFDGGCOY-UHFFFAOYSA-N 402.542 4.229 0 1 HIAF CCOC1CCC2(CC1)Cc1ccc(-c3cccc(OC)c3)cc1[C@]21N=C(N)N(C)O1 141840207 QAEMRDPFYVFBTI-LRARRHDQSA-N 421.541 4.228 0 1 HIAF Cc1cc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)cc(N)n1 146986722 KZHXQFLEOUMPQC-UHFFFAOYSA-N 414.444 4.070 0 1 HIAF in-vitro COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccnc(-c2ccccn2)c1 167047830 CNKQUIXONISKEO-HXUWFJFHSA-N 403.482 4.415 0 1 HIAF O=C(Nc1cccnc1)Nc1cccc([C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1 169050742 WJIPQBPPPBYQKD-KRWDZBQOSA-N 413.485 4.381 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCCC4CC4)cn3)C2)cc1 169709213 ICDSJCJWGJLTEN-GAJHUEQPSA-N 409.530 4.115 0 1 HIAF CN1CCN(Cc2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 205876868 IGXDUFHPMLLGOJ-UHFFFAOYSA-N 415.537 4.265 0 1 HIAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C 255193491 AJBRSFMZZWORQQ-FCACRDETSA-N 418.618 4.119 0 1 HIAF NS(=O)(=O)c1cccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 587050345 OVFWYCLXYDZKSO-UHFFFAOYSA-N 411.870 4.010 0 1 HIAF FC(F)(F)CCc1ocnc1-c1nc2cccc(I)c2[nH]1 587092128 MTDWRBWRSWTSBE-UHFFFAOYSA-N 407.133 4.317 0 1 HIAF CN(C)C(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587165733 BEZSBRWXWGMVEM-UHFFFAOYSA-N 419.485 4.371 0 1 HIAF Oc1nccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 587165808 KQHGOJGHIWFPGT-UHFFFAOYSA-N 400.417 4.140 0 1 HIAF Cc1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cc1Cl 587182929 UJOJGJNXIROPSQ-SECBINFHSA-N 400.651 4.244 0 1 HIAF CC[C@H](c1nc2c(C)cnc(Cl)c2[nH]1)n1cc(I)c(C)n1 587186505 YUHXEIIQRUFRKY-SNVBAGLBSA-N 415.666 4.029 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(CN=O)=COc2cc(Br)ccc21 587370528 FTKIOMQQLDBLKO-IBGZPJMESA-N 415.243 4.243 0 1 HIAF COc1cc2c3c(c1)OC1(c4ccccc4N(C[C@@H]4CO4)c4ccccc41)[C@@H](C2)C3=O 587434817 BCUOYUIMTPSHRR-XLIONFOSSA-N 411.457 4.237 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4cccc(C(=O)O)c4)c1)[C@@H](C2)C3=O 587441349 DSFHHSJEQCXMLG-RDPSFJRHSA-N 416.429 4.461 0 1 HIAF C[C@@H]1C[C@]2(CN1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581533 HSDFBKHLRXAQOZ-VEDVITAVSA-N 401.462 4.387 0 1 HIAF COCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587599185 WIQFWXIJJHGZEZ-URXFXBBRSA-N 422.433 4.129 0 1 HIAF Cn1ccnc1[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613498 PCWVATCLTIHPHA-XMSQKQJNSA-N 404.447 4.093 0 1 HIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)NCc1ccc(F)cc1 587622824 UPCXBFXLDYOXEO-UHFFFAOYSA-N 401.239 4.184 0 1 HIAF CN(C)C(=O)c1cc(F)c(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(F)c1 587658649 QVWKOXIXTOCMGQ-UHFFFAOYSA-N 423.394 4.172 0 1 HIAF COc1ccccc1[C@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809489 UAGGDCCNCBRXKL-YUNKPMOVSA-N 406.295 4.354 0 1 HIAF COC(=O)c1cccc2c1CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587812432 ZCKPSHXVOPOVSH-BIBXISHDSA-N 404.279 4.099 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c(C(=O)O)csc32)N1 587856484 IEDVIMYIBJNFLT-YYSFKGJASA-N 410.308 4.462 0 1 HIAF C[C@@]1(c2ccc(Cl)c(F)c2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642412 ZSPPQRAZBNVZBB-WBVHZDCISA-N 403.759 4.240 0 1 HIAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cnc1Cl 963173754 FBQXKTWAKGWLAH-SMDDNHRTSA-N 405.203 4.404 0 1 HIAF CCCOC(=O)C[C@]1(C)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963903648 CPVOJVSXJPZLDD-UZUQRXQVSA-N 419.518 4.190 0 1 HIAF O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccc(F)c(Cl)c1 1772580004 FDBBJNOKPFRGFR-IOMROCGXSA-N 420.887 4.113 0 1 HIAF C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cncc(F)c1)c1ccc(C(=O)O)cc1 1772588231 YKPRNYQAMGOXLG-NSHDSACASA-N 415.808 4.251 0 1 HIAF O=c1nc(N2CCOCC2)oc2c(-c3ccccc3)c(OCc3ccccc3)ccc12 1772596718 IFYXUVOXBZSFGL-UHFFFAOYSA-N 414.461 4.271 0 1 HIAF COc1ccc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)cn1 1857555261 RYPRRNIAFYNHGP-UHFFFAOYSA-N 409.442 4.184 0 1 HIAF C[C@@H]1CN(C(=O)CC(C)(C)C)CCN1C(=S)Nc1ccc(C(F)(F)F)cc1 1857565331 CALQXJCLNXBHRN-CYBMUJFWSA-N 401.498 4.371 0 1 HIAF O=C(N[C@H](Cn1ccnc1)C(=O)c1ccccc1F)c1ccc(-c2ccccc2)cc1 1857619293 FGVTYQZLDIXXIO-HSZRJFAPSA-N 413.452 4.371 0 1 HIAF CC(=CC=C1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@@H]2O[C@H](O)[C@]3(C)CCC[C@]1(C)[C@H]23 2356462742 CHBIIBKSFYKBAE-TYCWDTCSSA-N 416.558 4.401 0 1 HIAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1Cl)[C@@H](O)C(C)(C)O2 26730481 HSNXWBWNKQWFON-ZWKOTPCHSA-N 408.281 4.199 0 1 HIAF COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)cc1 28818029 AHOJZWPBIHIALS-VWLOTQADSA-N 412.549 4.475 0 1 HIAF CCCCn1c(=O)c2ccccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 29050674 KNOABAGUWFLMAN-UHFFFAOYSA-N 424.508 4.499 0 1 HIAF Cc1ccc(Cn2ncnc2[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1 38346988 SIGRQKDGQNYXER-KRWDZBQOSA-N 424.979 4.025 0 1 HIAF O=C(CCc1ccccc1)NCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 40407597 ZBWMUFAKPSHRGZ-DEOSSOPVSA-N 406.913 4.295 0 1 HIAF COc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)cc1 49783810 LWVCZOPQGYYQQF-UHFFFAOYSA-N 401.869 4.149 0 1 HIAF Cc1c(Cl)cccc1Nc1nnc(CNc2c(C)n(C)n(-c3ccccc3)c2=O)o1 73221006 YDWHLTTWVHWXIH-UHFFFAOYSA-N 424.892 4.185 0 1 HIAF CCCc1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@@H]1CCCN1C 82180986 CFMSPLGNDDFUIT-SFHVURJKSA-N 410.541 4.057 0 1 HIAF NCCCCNCCCCN1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O 84688588 CTGDQLBMWGWCJW-UHFFFAOYSA-N 415.537 4.212 0 1 HIAF Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1 118077251 NSLHDCHCESOVNO-FDDCHVKYSA-N 424.451 4.050 0 1 HIAF Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1 147169384 PRYCQPHZDXHIJX-IBGZPJMESA-N 410.495 4.032 0 1 HIAF O=C(Nc1ccc2c(c1)OCO2)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166014903 NDMCFSUFRPNGRP-UHFFFAOYSA-N 401.422 4.215 0 1 HIAF Cc1cc([C@@H](O)C(F)F)ncc1-c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1 169700138 LQFDMNJARJYYBV-URLQWDBASA-N 401.388 4.200 0 1 HIAF COC(=O)C1=C[C@@H]([C@H](C)[C@@H](OC)c2ccccc2Br)[C@H]2OCCC[C@@H]12 195481023 COSCUZRDNFVXDW-YJHUZGNISA-N 409.320 4.297 0 1 HIAF Cc1cncc(C(=O)Nc2ccc(C)c(CN3CCC(C(=O)NC(C)(C)C)CC3)c2)c1 210645189 CNPSUXHTFPXRSC-UHFFFAOYSA-N 422.573 4.077 0 1 HIAF Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 586949935 ICHHDLHQISTUSY-UHFFFAOYSA-N 421.478 4.110 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@H]1c1ccccc1Cl 587063128 PUDKGHOKUSAAJH-YCRPNKLZSA-N 423.904 4.186 0 1 HIAF Cc1cc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587143823 AXUYMQVOSQQMJG-UHFFFAOYSA-N 414.400 4.018 0 1 HIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O[C@@H](C)C(=O)O 587374916 KKNXKTVCCZUWEQ-GTNSWQLSSA-N 419.861 4.188 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc4c(c3)OCO4)nc3sccn13)O2 587414170 KZBCJYBTZJMIID-GOSISDBHSA-N 419.462 4.389 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(=O)n(Cc4ccccc4)c1)[C@@H](C2)C3=O 587423318 WROXXJCIGRECBJ-HTAPYJJXSA-N 407.853 4.047 0 1 HIAF COC(=O)C[C@@]1(c2ccc(OC)cc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587527678 XVGBJFILQDDDFO-XMMPIXPASA-N 410.466 4.006 0 1 HIAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O 587597487 QORKDAOHGJYAKU-SIKLNZKXSA-N 406.390 4.192 0 1 HIAF CCOC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597717 RRBNIHPZUPNWGS-HYBUGGRVSA-N 404.418 4.446 0 1 HIAF COCCc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614153 RJGOWYDZXYCUHT-XMSQKQJNSA-N 411.479 4.223 0 1 HIAF O=C(c1ccccc1OCc1ccc(F)cc1)n1ncc2ccc(Cl)cc2c1=O 587652014 TYRYEXLPKFRSAN-UHFFFAOYSA-N 408.816 4.457 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](NC(=O)OC(C)(C)C)C2)N1 587741045 FVUSHECBTDGQEM-XAEJFWIOSA-N 413.331 4.395 0 1 HIAF COC(=O)/C=C/c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587805136 GVUSYGUQUSWVIP-KLPJEHGUSA-N 404.279 4.398 0 1 HIAF COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587809548 QYAAKKXBIJGRML-YUNKPMOVSA-N 422.294 4.239 0 1 HIAF c1ccc([C@@]2(c3ccccc3CN3CCCC3)NCCc3nc4ccccn4c32)cc1 962990706 SSCVJPMGXDQMGX-MHZLTWQESA-N 408.549 4.368 0 1 HIAF CN1C(=O)C[C@H]2CN[C@H](c3ccc(-n4ccc(C(F)(F)F)n4)cc3)c3cccc1c32 963015736 AHFAMYTVJBHNRG-LHSJRXKWSA-N 412.415 4.034 0 1 HIAF COC(=O)c1cc(Br)cc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)c1 963103335 KVILPFVPWYOBCS-VQIMIIECSA-N 404.279 4.485 0 1 HIAF O=C(O)CCCC[C@]1(c2cccc(C(F)(F)F)c2)NCCc2c(C(=O)O)cccc21 963126571 VYUJNKUAJBMHCK-OAQYLSRUSA-N 421.415 4.438 0 1 HIAF CCOC(=O)CCC[C@@]1(CC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963205666 XGVHZXPUUNFWKH-MAUKXSAKSA-N 421.843 4.296 0 1 HIAF CN1CCc2c(Br)cccc2[C@@]1(c1ccc(F)cc1)[C@@H]1CCCNC1 963290958 ZCYHSZNODRABEI-IIBYNOLFSA-N 403.339 4.319 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2cccc(F)c2)C(=O)OC)cc1 1772630463 UXYYWGJVRZWIQM-OPAMFIHVSA-N 401.478 4.214 0 1 HIAF C[C@@H]1CC[C@H]2[C@@H](C(=O)c3c(O)c(-c4ccc(O)cc4)cn(O)c3=O)[C@H](C)C=C[C@@H]2C1 2356797996 OSEPAFFUHRIZFR-HZKILIBXSA-N 409.482 4.221 0 1 HIAF CC(=O)Nc1ccc(CN2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cc1 12437783 VRLDRINWVWPOQR-IBGZPJMESA-N 411.521 4.093 0 3 HIAF CC(=O)Nc1ccc2nc(CN3CCC(CO)(CCc4ccccc4)CC3)ccc2c1 13596556 QVXUOMNTKVOKLY-UHFFFAOYSA-N 417.553 4.401 0 3 HIAF CCCCOc1c(OC)cc(C(=O)NCC2(N(C)CC)CCCCC2)cc1OC 13863593 IRIDNGWJABOOER-UHFFFAOYSA-N 406.567 4.267 0 1 HIAF CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)OC[C@](O)(c1ccc(O)cc1O)C2=O 14727571 YHOORZKAQSJJSM-VWLOTQADSA-N 424.493 4.284 0 1 HIAF biogenic CN(CC(=O)N[C@H](c1ccccc1)C1CCCCC1)C[C@@H]1COc2ccccc2O1 26386668 UPZZRIFESLDQNC-PXDATVDWSA-N 408.542 4.196 0 1 HIAF O=C1c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2CCN1CCN1CCCC1 59113342 UZARNTGJNZJLMB-UHFFFAOYSA-N 404.432 4.346 0 1 HIAF CCn1c(=O)n([C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)c2ccccc21 71330795 WCHKBNSTCRGDQJ-IBGZPJMESA-N 417.488 4.261 0 1 HIAF FC(F)(F)c1ccc([C@H](NC2CCN(c3ncccn3)CC2)c2cccnc2)cc1 72101333 ZWWJQDYHGWJNKT-FQEVSTJZSA-N 413.447 4.238 0 1 HIAF O=C(OCCN(n1cccc1)n1cccc1)c1cc2ccccc2n1-c1ccccc1 87722990 YWKSPPWUQKZZBI-UHFFFAOYSA-N 410.477 4.492 0 1 HIAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cncnc4)ccn23)c1 147141140 RNKAWQIPWHNIRD-UHFFFAOYSA-N 412.375 4.142 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCCOc5ccccc54)ncc23)ccn1 261125095 KBIFQTCYCGDXKU-SFHVURJKSA-N 414.469 4.364 0 1 HIAF CC(C)(SCC(=O)O)c1nc2c(Br)ccc(Br)c2[nH]1 586959230 MKJKHGOTJRUYPX-UHFFFAOYSA-N 408.115 4.141 0 1 HIAF Fc1cc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2cc1Br 587084996 MDSKNGHUBUBNAE-UHFFFAOYSA-N 410.678 4.292 0 1 HIAF Cc1cccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 587108114 HLCWWKUWONCXIR-HNNXBMFYSA-N 409.433 4.416 0 1 HIAF Oc1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 587157134 GYWDYZJDCUWGTM-UHFFFAOYSA-N 403.211 4.005 0 1 HIAF CC1=C(c2ccc3nc(-c4cc(-c5ccc(F)cc5)n(C)c4C)[nH]c3c2)NNC(=O)C1 587166118 MTLVDGOKZKKDFD-UHFFFAOYSA-N 415.472 4.438 0 1 HIAF CC(C)(C)c1nc2nc(O)nc(O)c2cc1Cc1ccc(Br)cc1F 587368037 GZOBTCPGVBKRIV-UHFFFAOYSA-N 406.255 4.226 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCc4c(OC)ccc(Br)c41)[C@@H](C2)C3=O 587417127 JOKIUKRMBJDYRR-RBZFPXEDSA-N 401.256 4.055 0 1 HIAF O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 587495149 BWRJUJYWJOYMQC-OAQYLSRUSA-N 413.267 4.498 0 1 HIAF CCOC(=O)[C@@]1(c2cc(F)c(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503416 GVLRZOVIEJEBMI-QFIPXVFZSA-N 404.384 4.407 0 1 HIAF O=C(O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2)n1 587515095 JIADQIIOOZPGQF-NRFANRHFSA-N 402.450 4.220 0 1 HIAF CCc1noc(C2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)n1 587589233 WMXIGTZNKDUNHF-JIMJETOSSA-N 406.438 4.396 0 1 HIAF CC(C)(C)OC(=O)[C@@H]1[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587590787 APYZOSDDTLARHH-DCXXXQMHSA-N 410.466 4.336 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(Br)c2)N1 587688165 WZDSPIVNZPUWGF-ANRSDYALSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCN(C)C)cc2)N1 587738539 BAPZIBXSSVQUJR-SPLOXXLWSA-N 421.354 4.326 0 1 HIAF COc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587745507 WHDCTSMTNAJDMS-YUNKPMOVSA-N 421.310 4.375 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@@H]2Cn2cncn2)N1 587760988 RUCFUJSASJNHQK-MUKKUYKPSA-N 407.331 4.190 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc(OC)c(C)c3OC)nc2c1 587786031 AWSWROVRZWEQMZ-UHFFFAOYSA-N 405.248 4.105 0 1 HIAF COc1ccc(-c2cccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c2)cc1O 587786144 IQFGUBFFEAJVRU-UHFFFAOYSA-N 414.509 4.363 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ncccn3)s2)N1 587852124 DIDNLHUIVZRRPF-PSLIRLAXSA-N 405.296 4.125 0 1 HIAF CC(=O)N1CCN(c2ccccc2[C@H]2NCCc3cc(-c4ccccc4)ccc32)CC1 962664197 FXRJZBHWUPLSEC-MHZLTWQESA-N 411.549 4.257 0 1 HIAF C[C@H](N)C[C@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949886 DBYGKBUONKYYMM-KSFYIVLOSA-N 404.476 4.338 0 1 HIAF COc1ccccc1[C@@]1(c2cccc(F)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963024845 MEZYXVQGAGVKBY-IVCQMTBJSA-N 402.469 4.180 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@@](c3ccc(F)cc3)(c3cc(F)cc(F)c3)c3cccc1c32 963026742 KBYGIMQVHCPDCR-SHACYNPGSA-N 408.423 4.449 0 1 HIAF O=C1[C@@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccc(F)c(Cl)c1 1772580005 FDBBJNOKPFRGFR-WMQCIHAUSA-N 420.887 4.113 0 1 HIAF COc1c(C)cnc(Cn2cc(Cc3ccccc3)c3c(Cl)nc(N)nc32)c1C 1772647683 CBDCNHPEKJZUHT-UHFFFAOYSA-N 407.905 4.326 0 1 HIAF CC(C)C[C@@H]1C(=O)Nc2cc(Cl)ccc2C(=O)N1Cc1ccc(C(=O)O)cc1 1857645828 BSEDUPUIJSQEOK-GOSISDBHSA-N 400.862 4.047 0 1 HIAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@@H]1c1ccc(OC)cc1 95603106 DWVNHKIEPWPGBH-LJQANCHMSA-N 416.930 4.227 0 3 HIAF Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CCC(C)C)CC2 3819880 GGQVOQWCJWFEFU-UHFFFAOYSA-N 409.596 4.068 0 1 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4080543 LHWZKQRFLAPOMD-IFMALSPDSA-N 423.875 4.470 0 1 HIAF CC(C)(C)C(=O)OCc1ccc2oc(=O)c(C(=O)Oc3cncc(Cl)c3)cc2c1 13557557 HQIJINZZNGLYDG-UHFFFAOYSA-N 415.829 4.150 0 1 HIAF O=C(Nc1nc2sc3c(c2c(=O)o1)CCN(Cc1ccccc1)C3)c1ccccc1 13678182 BFQYYEGZVMBGNW-UHFFFAOYSA-N 417.490 4.060 0 1 HIAF C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NC3CC3)sc12 28820760 HPEZMJRVQAFZQC-SECBINFHSA-N 423.514 4.024 0 1 HIAF Cn1ncc2c1CCc1c-2c2c(c3c1[nH]c1ccc([C@@H]4CCCCO4)cc13)CNC2=O 49047245 XDDKJJLWQBEZES-FQEVSTJZSA-N 412.493 4.305 0 1 HIAF O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2ccccc2)n1 82069057 UKFPZSIWWUYQMK-HXUWFJFHSA-N 419.550 4.164 0 1 HIAF O=C(NCc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 166652941 HUIUCWDQWOMHBH-UHFFFAOYSA-N 412.428 4.084 0 1 HIAF O=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 169310040 WHGYSDOEZDWLGK-UHFFFAOYSA-N 422.293 4.442 0 1 HIAF COc1c(C#N)ccc2[nH]c(-c3cn4c(n3)[C@H](c3ccc(F)cc3C)OCC4)cc12 208741297 HVSDODQLRPYGML-QFIPXVFZSA-N 402.429 4.479 0 1 HIAF O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCCN2c1cccc2ccccc12 220218981 VAXBNOQDKPWVQN-UHFFFAOYSA-N 424.507 4.023 0 1 HIAF COC(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1OC 587043063 XUDAYYJZPRBYKS-UHFFFAOYSA-N 416.524 4.416 0 1 HIAF O=C(O)c1cc(F)cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587116436 XEDQRBDAOIBMRR-UHFFFAOYSA-N 404.117 4.244 0 1 HIAF COc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143387 FLEZNZKAMBTELU-HXUWFJFHSA-N 420.400 4.467 0 1 HIAF Cc1c(Br)ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 587193137 BMMMWWSQFLQZPF-UHFFFAOYSA-N 416.319 4.153 0 1 HIAF Nc1cc(C(=O)O)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587250026 WUZFQMNIVPJUKL-UHFFFAOYSA-N 416.153 4.171 0 1 HIAF CCOC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587332796 BDDJYNKVJDFLRI-ZJSXRUAMSA-N 421.424 4.377 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2[C@H](CC3)CN[C@@H]2C(=O)O)c1 587362811 LAAMNRAOUGYJHX-IJIZOXLDSA-N 414.461 4.359 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(=O)O)[nH]c3ccc(Br)cc13)O2 587370548 FZOSDPFUILSDIM-HNNXBMFYSA-N 415.243 4.226 0 1 HIAF COC(=O)c1ccc(COc2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)o1 587404191 PCDHICBGGJICTM-XMMPIXPASA-N 421.449 4.416 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCc4cc(SC(=O)N(C)C)ccc41)[C@@H](C2)C3=O 587453454 SNRXBCGEKAIQRE-MBSDFSHPSA-N 409.507 4.448 0 1 HIAF O=C1C[C@@H](c2cc3cc4c(cc3nc2O)OCCO4)Oc2c1ccc1c2CCCC1 587527311 SGAAXTGUYNPUHC-FQEVSTJZSA-N 403.434 4.297 0 1 HIAF COc1cc(F)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587559329 WFXFXXSJEZERHU-NZQKXSOJSA-N 410.397 4.426 0 1 HIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1NC(C)=O 587578216 MYZVAUYPTUMEAY-XUZZJYLKSA-N 419.433 4.236 0 1 HIAF CSc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587612318 JFWXLQOFUSSZNI-WMLDXEAASA-N 400.843 4.260 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Br)N1 587677421 AFHACDOIJYEXEA-RMLUDKJBSA-N 400.089 4.369 0 1 HIAF CCOC(=O)[C@H](C)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587703810 GYVDXDSZAQHPTM-CEFVDNRUSA-N 412.221 4.079 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCNC(=O)OCc2ccccc2)N1 587756210 QJCBQLSLVCHPOB-SUMWQHHRSA-N 421.310 4.480 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCN(C)N=O)(c2cccnc2)N1 587756526 QZVJVAMWAQANFU-ORAYPTAESA-N 421.314 4.154 0 1 HIAF COC(=O)c1cc2c([nH]c3ccccc32)c([C@H]2Nc3ccccc3C(=O)N2C2CC2)n1 653778053 IBCZHWLEHKYJLI-QFIPXVFZSA-N 412.449 4.232 0 1 HIAF COc1cccc([C@@]2(CC(C)(C)C(=O)O)NCCc3cnc4c(OC)cccc4c32)c1 963060269 SCKLUUFBIMBROM-RUZDIDTESA-N 420.509 4.142 0 1 HIAF CN1C=C(C(=O)O)[C@]2(NCCc3c(Cl)cc(Cl)cc32)c2cc(F)cc(F)c21 963113091 UXJLKIANEIKFLD-LJQANCHMSA-N 411.235 4.079 0 1 HIAF COc1ccc2c(c1OC)C1(CCC(OC3CCCC3)CC1)NCC21CCOCC1 963195825 WOXDNJAEEAFKOE-UHFFFAOYSA-N 415.574 4.452 0 1 HIAF CC1(C)CN(c2ccc(C(F)(F)F)cc2)CC[C@H]1C(=O)N[C@H]1CCC[C@H](CO)C1 1772604531 APFUSSJGZAJSNI-IEZWGBDMSA-N 412.496 4.225 0 1 HIAF Cc1cncc(C(=O)Nc2cccc(CN3CCC(C)(C(=O)NC(C)(C)C)CC3)c2)c1 1772608220 WTHWFWYNJKZPIW-UHFFFAOYSA-N 422.573 4.159 0 1 HIAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)C2CCCCC2)CC[C@]1(C)O 2356289713 YFLDLCOKQFBFCQ-MZKRTTBSSA-N 420.619 4.274 0 1 HIAF C[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1OS(=O)(=O)O 2356552765 BJLIZEUOFAZAFA-VSAGWDKDSA-N 400.581 4.214 0 1 HIAF O=C1CN(C(=O)c2ccco2)[C@@H](c2ccccc2)c2cc(Br)ccc2N1 2456576 CMQXWPMNXJLTPZ-IBGZPJMESA-N 411.255 4.226 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214685 GVTDUFDOSJYLTD-HQMSXXKGSA-N 402.535 4.129 0 1 HIAF CCOC(=O)n1c([S@](=O)Cc2nccc(SCC)c2C)nc2ccccc21 13820776 PKLJRWZFZCJLDM-MHZLTWQESA-N 403.529 4.164 0 1 HIAF CCOc1cc(C)nc2n/c(=N/C(=O)c3ccc(-c4ccccc4Cl)o3)sn12 28565146 GMWYWBXLEAXOQX-QOCHGBHMSA-N 414.874 4.152 0 1 HIAF COc1cccc(C(=O)[C@H]2C[C@@H]2CN2CC=C(c3c[nH]c4ccc(OC)nc34)CC2)c1 45323289 GSNLSTHOWFWZIF-QUCCMNQESA-N 417.509 4.188 0 1 HIAF CCN(CC)C(=O)[C@H]1CCCN(c2cc(C)nc(Nc3ccc(Cl)cc3)n2)C1 45335892 QJFLRRRVEZXWJZ-INIZCTEOSA-N 401.942 4.267 0 1 HIAF O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 49036393 DZZLIOISVBNUDG-UHFFFAOYSA-N 420.808 4.091 0 1 HIAF O=C1C[C@H](c2ccc(O)cc2)c2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O1 59774074 LEHQNGMIHPACJG-QGZVFWFLSA-N 404.418 4.060 0 1 HIAF biogenic CCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 82080950 PATSPFNHYOSDEC-LJQANCHMSA-N 422.554 4.144 0 1 HIAF Cc1cccc2cc([C@H](C)Nc3ncnc4n[nH]c(C#N)c34)n(-c3ccccc3)c(=O)c12 88346085 OASPCLUMEHMUQH-HNNXBMFYSA-N 421.464 4.010 0 1 HIAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3cccc(CO)c3)nn3ccnc23)n1 95572118 RRLDDDWFZGWTPM-INIZCTEOSA-N 400.486 4.016 0 1 HIAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2OC(C)C)C2=C(O)CCCC2=N1 103539841 CLSCZJJYCNGPLG-QFIPXVFZSA-N 410.514 4.141 0 1 HIAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](C(C)(C)c1ccc(Cl)cc1)NCC2 114978442 APWPJLLDCRXOMN-NRFANRHFSA-N 421.006 4.334 0 1 HIAF COC[C@@H](C)NC(=O)c1cc(NC(=O)c2nc(C)oc2C)cc(-c2ccc(C)cc2)c1 142621772 VYYKDMNBXLSXHL-OAHLLOKOSA-N 421.497 4.284 0 1 HIAF O=c1c(O)c(-c2ccc(OCc3ccc(F)cc3)c(O)c2)oc2cc(O)cc(O)c12 169353088 ZMXJGHAPPHTBJX-UHFFFAOYSA-N 410.353 4.001 0 1 HIAF O[C@H]1CCN(c2ccc(Nc3ncc4c5ccccc5n(C5CCCC5)c4n3)nc2)C1 169706754 CUOAKASSZZNNNL-SFHVURJKSA-N 414.513 4.409 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCN(S(C)(=O)=O)CC[C@@]43C)C1=CC=C2n1ccnc1 223520380 KJAKPYLKEFJHIM-XMFZQDBWSA-N 415.603 4.168 0 1 HIAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCc5oc(C6CC6)nc5C4)ncn3)c2c1 225565301 QXWORAHHMCPQSW-UHFFFAOYSA-N 416.485 4.235 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)ncc3[nH]2)C[C@@H]2CCCC[C@@H]21 586958161 GTPJTEZMSCUROU-KKXDTOCCSA-N 416.934 4.306 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3ccc(-c4nccs4)s3)nc-2[nH]1 587023660 OCVVXJKUXYEMQY-UHFFFAOYSA-N 406.496 4.474 0 1 HIAF FC(F)(F)c1cc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc(C(F)(F)F)c1 587109609 GWGKDDIOAHQUEN-UHFFFAOYSA-N 412.297 4.167 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(Br)ccnc2[nH]1 587167917 ZVOPBENTRPOQPI-CYBMUJFWSA-N 404.243 4.229 0 1 HIAF Cc1nccc2[nH]c([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc12 587217963 FZXFXQPIKNCXKC-GOSISDBHSA-N 424.501 4.356 0 1 HIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc3c(cc2[nH]1)OCCCO3 587258629 PQPSSLZVGQAIGT-SFHVURJKSA-N 416.481 4.296 0 1 HIAF O=C(O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587349425 FWJKXXKVYHWCTA-ZHRMCQFGSA-N 404.393 4.358 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CC2=O 587487818 OGIKRBIWTZGFFA-BKTORNKPSA-N 401.503 4.326 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1sc(NC)nc1N)CC2=O 587495077 OUWGJZZCLPGIAD-QHCPKHFHSA-N 423.538 4.643 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546118 IJVHXWGNARCUGZ-VGOFRKELSA-N 407.809 4.163 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587549842 SBXYOAXABKGVGQ-GQNMWPQZSA-N 418.392 4.091 0 1 HIAF CC(=O)NCCc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587754240 JHQRCBNAKAQFCA-ZSEKCTLFSA-N 419.338 4.065 0 1 HIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587785351 NKTHKESZVBZEIQ-GHMZBOCLSA-N 406.667 4.317 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)sc3c2CCOC3)N1 587856197 WSBBECQIGSMJAA-NIVTXAMTSA-N 411.340 4.102 0 1 HIAF Oc1cc(-c2ccccc2Br)c(O)n1-c1ccnc(Br)c1 587940080 KYMHPCNFIXOYDA-UHFFFAOYSA-N 410.065 4.476 0 1 HIAF COc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@]2(O)c2ccc(C)cc2)cc1F 653801349 UCEIHFCMQJAQKW-XMMPIXPASA-N 404.441 4.238 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@@H]3c3ncccn3)nc(Cl)c2C)s1 653808426 QQBPTGOPJQLVTM-KBPBESRZSA-N 416.938 4.096 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](Cc2ccc(F)c(F)c2)(c2ccccc2F)N1 962897416 KKRHMAQTRGIKJD-JTHBVZDNSA-N 415.386 4.328 0 1 HIAF COc1cccc([C@@]2(c3cccc(C)n3)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963634608 KWCQVWHKTWXESY-GKVSMKOHSA-N 404.510 4.242 0 1 HIAF Cc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C(C)C)[C@H]2c2ccc(F)cc2)c1 1857600530 KMXPGHBUCKVDPS-RTWAWAEBSA-N 420.488 4.103 0 1 HIAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 1857752958 SGNZVKBBEVWILZ-UHFFFAOYSA-N 408.493 4.232 0 1 HIAF CCOC(=O)C1=CC(=CCC(C)C)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 2356372180 ZOXLSKQYLCIPKF-IBGZPJMESA-N 402.487 4.039 0 1 HIAF Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1cc3ccccc3oc1=O)CC(=O)N2 2456500 WSQAPGODWPUDMV-XMMPIXPASA-N 424.456 4.285 0 3 HIAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4049686 WDBSOFKIYJKKEL-GBAAUQCPSA-N 406.526 4.322 0 1 HIAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F)N1CCOCC1 4077578 MNMPIGMRBIGOLD-MJGOQNOKSA-N 423.271 4.083 0 1 HIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(OCC)cc1 4152679 MHPCHNJJIKSGSP-JTHBVZDNSA-N 410.514 4.492 0 1 HIAF Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2ccccc2Cl)c2ncn(C)c2n1 13488569 CRZGUFVMQLOFPK-UHFFFAOYSA-N 410.840 4.348 0 1 HIAF COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@H](C(F)(F)F)OC2 22448894 GGQQGJOPMGVPKN-SESVDKBCSA-N 406.448 4.412 0 1 HIAF O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 28966179 FLVCRERFUFZQQE-UHFFFAOYSA-N 422.456 4.347 0 1 HIAF Cc1cc(C)n2nc(SCc3nnc(SCc4ccc(Cl)cc4)o3)nc2n1 39930611 ZBFRIHQBMYPEAB-UHFFFAOYSA-N 418.935 4.362 0 1 HIAF CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)C1 72139770 RJYTWHUBTSKNKF-UHFFFAOYSA-N 404.894 4.303 0 1 HIAF CC(C)O[C@H](Cc1ccc(OCCc2noc(C3CCCCC3)n2)cc1)C(=O)O 103292091 YNVVLCIEAUHFQP-LJQANCHMSA-N 402.491 4.160 0 1 HIAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nc3ccccc3nc2-c2ccccc2)C1 139832176 MUURWGXPOFSTBH-UHFFFAOYSA-N 405.461 4.413 0 1 HIAF Cc1cc(C(=O)N2CCN(c3nc4ccccc4nc3NC3CC3)CC2)ccc1Cl 144342721 PNEYABRHJOPSNP-UHFFFAOYSA-N 421.932 4.128 0 1 HIAF CCOC(=O)C1=C[C@@H](c2ccc(Br)cc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169723786 HOFOTNXVWIWZLG-KSSFIOAISA-N 404.304 4.440 0 1 HIAF O=C(O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc12 299833194 LFIHRYNORHVKFJ-UHFFFAOYSA-N 411.421 4.284 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cccc(OC)c3[nH]1)C(=O)OC2 586915410 MAPZXQOONXVYKS-JYRVWZFOSA-N 422.481 4.386 0 1 HIAF FC(F)(F)c1cnc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 586969883 PQUCKGUUAYCHAV-UHFFFAOYSA-N 421.360 4.048 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2c1 587075990 PQHAJQTVCPBCBM-UHFFFAOYSA-N 400.891 4.171 0 1 HIAF Clc1cnn(COc2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)c1 587082841 XTWOARNPZGHCQX-UHFFFAOYSA-N 404.655 4.274 0 1 HIAF COc1cccc(C(=O)[C@@]2(c3cccc(OC)c3)CC(=O)c3cc(C)cc(N)c3O2)c1 587401295 VVZQFDYNXPHITH-VWLOTQADSA-N 417.461 4.338 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(C=C(CO)OC=C1OCc1ccccc1)CC2=O 587484319 SRKOFXACVDERRR-DEOSSOPVSA-N 408.450 4.013 0 1 HIAF CC(=O)Oc1cc(OC(C)=O)cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523421 LSTNHPMLJLSRKN-DEOSSOPVSA-N 408.450 4.297 0 1 HIAF CN(C)/C=C\[C@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551840 KLSUECBGBIPMCO-WDQBUJBCSA-N 422.868 4.373 0 1 HIAF O=c1c2cc(Cl)ccc2cnn1-c1c(F)c(F)c(Br)c(F)c1F 587651105 CPMYKEGQEWZIGH-UHFFFAOYSA-N 407.548 4.358 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccco2)N1 587720373 NAUPFDLPUQEZLH-XLFHBGCDSA-N 402.210 4.183 0 1 HIAF Cc1ccnnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 653755709 YDFAOTKZLIYIAB-UHFFFAOYSA-N 412.449 4.105 0 1 HIAF CCOc1ccc(-c2n[nH]cc2[C@@H]2NCCc3cc4cccc(OC)c4nc32)cc1 963046251 IZBJGJMJSLKJLC-DEOSSOPVSA-N 400.482 4.267 0 1 HIAF CS(=O)(=O)c1ccc(-c2cccc([C@H]3c4c(F)cccc4C[C@@H]4CCCN43)n2)cc1 963108370 LOPSFAWVEUZVDW-UUOWRZLLSA-N 422.525 4.401 0 1 HIAF Cc1ccnc2c1c([C@@H]1N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc31)cn2C 963164809 ADGUQWBGSBWAND-NVXWUHKLSA-N 423.822 4.242 0 1 HIAF CC(C)(C)[C@@]1(c2ncco2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963180074 GAMPIZFRUKKDJB-PIGZYNQJSA-N 402.800 4.235 0 1 HIAF Cc1ccnc([C@]2(c3cc(C)ccc3C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963221853 FWCMEKUWAFGCSB-RPLLCQBOSA-N 423.516 4.446 0 1 HIAF CCCCCCOc1ccc(CCCCC(=O)C(=O)NCCCC(=O)OCC)cc1 1857569738 KMUXCZOZFZFUME-UHFFFAOYSA-N 419.562 4.387 0 1 HIAF O=C(O)c1c2c(nc3ccccc13)CCN(C(=O)c1cccc(C(F)(F)F)c1)C2 1502962 TZSIYMYOTFJIHZ-UHFFFAOYSA-N 400.356 4.150 0 1 HIAF CCCN1CC(=O)N2C[C@H](c3ccc(Cl)cc3)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2130665 LZSORUHFMJYBCL-HOYKHHGWSA-N 421.928 4.263 0 1 HIAF biogenic COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@H]1c1ccc(-n2ccnc2)cc1 10355213 JCKWRURPIFAYME-NRFANRHFSA-N 418.522 4.064 0 1 HIAF COc1ccc([C@H]2CC[C@H](OCCCCn3c(C)nc4cnccc43)O2)cc1OC 11687517 OBNNIOHNWGWSBC-NFBKMPQASA-N 411.502 4.432 0 1 HIAF COc1ccccc1N(C(=O)[C@H](C)OC)[C@@H]1CCN(CCc2cccs2)C[C@@H]1C 26728311 MMLFNTYVDTXUQB-CMKODMSKSA-N 416.587 4.078 0 1 HIAF O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccccc1Br 26749014 KSWJWAMENMYHDH-UHFFFAOYSA-N 401.348 4.134 0 1 HIAF O=C1C(=O)N(Cc2cc3ccccc3s2)c2ccc(I)cc21 28466529 MAYSJMBSILUGEG-UHFFFAOYSA-N 419.243 4.235 0 1 HIAF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1F 40866315 HONMVHGQHMXSMV-UHFFFAOYSA-N 424.439 4.328 0 1 HIAF COc1cc(N[C@H](C)CCCNC(=O)NOCc2ccccc2)c2ncccc2c1 43069624 PHXPVHUPNPVXRU-QGZVFWFLSA-N 408.502 4.255 0 1 HIAF COCC(=O)N(c1ccccc1Cl)[C@@H]1CCN(CCc2ccccc2)C[C@H]1C 58678042 IDBGRMWFLVNQQD-WIYYLYMNSA-N 400.950 4.273 0 1 HIAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 73163530 KCGXXRBMPRXFSA-VMUDFCTBSA-N 406.448 4.348 0 1 HIAF CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC)N2 82207698 SNZBFHGMRHZOEU-FQEVSTJZSA-N 420.557 4.264 0 1 HIAF O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 95869425 PCECKKZHYFZSKH-PKTZIBPZSA-N 424.972 4.072 0 1 HIAF C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 95873544 RDEQLRCOXKGDQP-PGGOAQMPSA-N 423.532 4.315 0 1 HIAF COc1ccc(-c2nnc(SCC(=O)O)n2-c2ccc(Cl)c(Cl)c2)cc1 96273183 ZZDOZHIUCZLOON-UHFFFAOYSA-N 410.282 4.426 0 1 HIAF COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OCCCCCC(=O)NO 114298321 JGMSAIWKJCBSOV-MRXNPFEDSA-N 424.501 4.256 0 1 HIAF COc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(C(F)(F)F)c3)c2c1 114347654 LYVAUQAZKOULMJ-UHFFFAOYSA-N 410.783 4.022 0 1 HIAF Cc1c(N(CCCF)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12 115232664 BHLJSLHGTBKRGE-UHFFFAOYSA-N 407.488 4.463 0 1 HIAF Cc1cc([C@H](O)C(F)F)ncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144356026 LQFDMNJARJYYBV-ALKREAHSSA-N 401.388 4.200 0 1 HIAF COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc2sccc2c1 169695614 WXLKBHGQJVVUQB-WOJBJXKFSA-N 407.491 4.408 0 1 HIAF Cc1ccc(N2CCN([C@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 170112550 IPTMTFLQMURYAT-VWLOTQADSA-N 412.653 4.153 0 1 HIAF c1ccc([C@H](CN2CCC(N3CCCCC3)CC2)N2CCN(C3CCCC3)CC2)cc1 198331885 QDJHRSQQAFCBBG-MHZLTWQESA-N 424.677 4.238 0 1 HIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccccc3O)CC[C@H]12 253635065 BGGSGEZOWWTTGS-LOPNTNTNSA-N 408.542 4.244 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587098068 QPEMXGULXPBEDQ-UHFFFAOYSA-N 415.412 4.418 0 1 HIAF CCOC(=O)[C@H]1Cc2c(nc(C)n2C)-c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587104413 HBARZKUASXQSBE-KRWDZBQOSA-N 423.472 4.358 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)cncc2[nH]1 587181265 PUHBDYFQXOSTOC-SSDOTTSWSA-N 401.639 4.050 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O 587416958 GWOLGDZIWTUOID-APPDUMDISA-N 414.672 4.239 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(SC)cc1)CC2=O 587493049 QAUCZACLCXZLGK-QFIPXVFZSA-N 400.496 4.490 0 1 HIAF COCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593411 CQXGSKUSHBAFJZ-QPPBQGQZSA-N 406.434 4.294 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587721409 PZLNGCXGNABLKA-ANRSDYALSA-N 406.221 4.447 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cnc(N)nc2)N1 587746032 LBKIDRFTGWSHPV-NSPYISDASA-N 413.294 4.251 0 1 HIAF C[C@H](Oc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1)C(=O)O 587798420 ZZQPKOSCCDKZFI-DDBGAENHSA-N 408.267 4.064 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)s2)N1 587853437 MZQHMUCQOUTNOS-SREIQFSDSA-N 406.118 4.431 0 1 HIAF CCOC(=O)c1cc(Br)c2nc(C(=O)CCc3ccccc3)[nH]c2c1 587953731 RPTKMNZCBZTJGI-UHFFFAOYSA-N 401.260 4.318 0 1 HIAF Cc1oc2ccc(O)cc2c1[C@@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972414 UUBWPDGWBQWLNI-JLTOFOAXSA-N 407.800 4.241 0 1 HIAF COc1ccc([C@]2(c3ncccc3C)NCCc3cc4cccc(OC)c4nc32)cc1 963049888 BVQOXZXEMGUWPE-AREMUKBSSA-N 411.505 4.393 0 1 HIAF CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)c2c(F)cccc2C[C@H]2CCCN21 963113800 ZUIJVVBCEVFVHJ-NLFFAJNJSA-N 409.501 4.229 0 1 HIAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc(Cl)n1 963199038 VPVDJZFCVVAPIF-NHYWBVRUSA-N 405.203 4.404 0 1 HIAF CN1CCN(c2ccc(-c3cn4c(-c5ccc6ncccc6c5)cnc4cn3)cc2)CC1 1857584488 ZBHYWPXDQOVTKU-UHFFFAOYSA-N 420.520 4.363 0 1 HIAF C[C@H](C(=O)N(C)C[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(C[C@@H]2CCCC2=O)cc1 2356761031 BYGRKFHIDXVJAJ-HCUBDLJJSA-N 410.602 4.425 0 1 HIAF CC(C)c1ccc(NC(=O)[C@]2(C)Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 61907686 FNUWZSVUTLSAHB-VWLOTQADSA-N 415.493 4.303 0 3 HIAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12)N1CCOCC1 768734 JMJKTUVUYMFBCR-JTHBVZDNSA-N 420.896 4.444 0 1 HIAF CC(C)(C)NC(=O)c1ccccc1CC[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C 5885556 FGWJLASYSLJOQW-FQEVSTJZSA-N 424.585 4.279 0 1 HIAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1 10450366 QOBSOSGAGQUIOA-NSHDSACASA-N 421.824 4.023 0 1 HIAF O=C(Cc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1 13800386 ZOVQSSMFGDAFDJ-UHFFFAOYSA-N 424.491 4.019 0 1 HIAF C[C@H](NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccccc1 18268018 DNBSIUOZUWKDAY-VQQJLRODSA-N 420.347 4.141 0 1 HIAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)NC1CCCCC1 25430177 LQGYZOLHFCESFG-ZWKOTPCHSA-N 401.551 4.414 0 1 HIAF biogenic CC(C)NC(=O)OCc1cn(C)c(-c2ccc(F)cc2)c1COC(=O)NC(C)C 26375603 MIGLYUDGPKWOKS-UHFFFAOYSA-N 405.470 4.100 0 1 HIAF NS(=O)(=O)c1ccc(C[n+]2c(-c3ccccc3)cccc2-c2ccccc2)cc1 27982338 LBVRSTJADWCVHU-UHFFFAOYSA-N 401.511 4.004 0 1 HIAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](OC(=O)Nc2ccccc2-c2ccccc2)C1 27996339 KKAICEQDZJLWSM-JQVVWYNYSA-N 407.514 4.021 0 1 HIAF CC(C)=CCc1c(O)c2c(c3c1O[C@H](C(C)(C)O)C3)O[C@H](c1ccc(O)cc1)CC2=O 34165791 UICPJXWESAHQFX-PMACEKPBSA-N 424.493 4.387 0 1 HIAF biogenic Cc1cccc(-c2nc(CCOc3ccc(C[C@]4(C(=O)O)CCCO4)cn3)c(C)o2)c1 34717784 KBOLGLHRFVZEAM-DEOSSOPVSA-N 422.481 4.151 0 1 HIAF CN1CCC(c2n[nH]c3ccc(S(=O)(=O)c4ccc5ccccc5c4)cc23)CC1 71281620 BJLXTIRVHASGOE-UHFFFAOYSA-N 405.523 4.358 0 1 HIAF CC(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CC[C@H]1CCCN1C 82179646 LZJASANSQKLXHI-HXUWFJFHSA-N 424.568 4.303 0 1 HIAF C[C@H](CNc1ncnc2c1nc(-c1cccnc1)n2C[C@H]1CCCO1)c1ccccc1 82188111 YTZKWUCHPRUCSZ-YLJYHZDGSA-N 414.513 4.283 0 1 HIAF Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1C 84709525 ADSIMBINEFSANR-UHFFFAOYSA-N 414.487 4.353 0 1 HIAF CC(C)Oc1cc(-n2cnc3cc(Cl)c(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1 96167839 DNRJRDDATFHQGP-NSHDSACASA-N 415.860 4.291 0 1 HIAF CC[C@H]1C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N1 100088345 VVNIRXJTAKNISC-PKUKSFFOSA-N 420.553 4.382 0 1 HIAF CN(C)C(=O)O[C@H](c1cnccc1C(F)(F)F)c1c(Cl)ccc2c1OCO2 103189017 SFKCSSZCGAQQNK-CQSZACIVSA-N 402.756 4.270 0 1 HIAF CC(C)(C)n1nnnc1[C@H](Nc1ccc(Cl)cc1)c1coc2ccccc2c1=O 103269316 KXHUYCBOAGKPMF-GOSISDBHSA-N 409.877 4.389 0 1 HIAF Clc1ccccc1-c1ccc2cnc(Nc3cnccc3O[C@@H]3CCCNC3)n2n1 142962810 FEDDHEIASVADKE-MRXNPFEDSA-N 420.904 4.319 0 1 HIAF CC[C@@H](C)C(=O)O[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 149034913 PCZOHLXUXFIOCF-ILCLHBOSSA-N 404.547 4.196 0 1 HIAF CN(C[C@@H](O)c1ccccc1)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166513976 HVCKGEIOCGXUGK-HSZRJFAPSA-N 415.493 4.040 0 1 HIAF COC[C@@H]1CCCN1C(=O)[C@@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169720818 BISDATDRFVQCJJ-KYNGSXCRSA-N 421.328 4.139 0 1 HIAF CCc1ccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)CN(C(=O)C3(CC)COC3)C2)cc1 204892100 KPBZDHBPOUKYIH-FGZHOGPDSA-N 420.553 4.246 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncnc2-c2ccc[nH]2)C1 219466751 ISUSOEMEBZRVAO-UHFFFAOYSA-N 406.795 4.342 0 1 HIAF CC(C)C[C@@H](CO)NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21 299832504 HQQKJWIPKUANMH-QFIPXVFZSA-N 401.510 4.380 0 1 HIAF CCCS(=O)(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 299836136 MQRYPNWHTGJJKM-UHFFFAOYSA-N 416.974 4.471 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 299887525 ZAHNDAGNFYIZGM-LFGPOGCNSA-N 404.595 4.166 0 1 HIAF COc1cncc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc12 586947556 SDFMHERCRWDVQG-UHFFFAOYSA-N 408.483 4.051 0 1 HIAF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cccc(F)c3[nH]2)CC1 586955343 WCDDOSQCUZRLIZ-UHFFFAOYSA-N 409.486 4.424 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(CC(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 587328634 JSSKUTSGDJHATK-GOSISDBHSA-N 409.379 4.287 0 1 HIAF C/C(=C\[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C 587333602 GVSZAXZMXQVLHI-KGXWENGYSA-N 419.456 4.041 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(=O)n(Cc3ccc(F)cc3)c1)O2 587385597 UHDXZXMZVLERJE-FQEVSTJZSA-N 412.848 4.286 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(I)=COc2ccccc21 587386603 KOTCRMSMXDBPNQ-GOSISDBHSA-N 419.218 4.107 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1cnn(C)c1C)O2 587391637 OASQHELRPYJJKB-JOCHJYFZSA-N 413.481 4.178 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccccc4C(=O)O)c1)[C@@H](C2)C3=O 587440743 ARGOYZCRYXXOBQ-GBXCKJPGSA-N 416.429 4.461 0 1 HIAF C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587553302 VGJKBJUTKLEAHE-UMAWSMADSA-N 422.820 4.458 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cncc1Br 587573139 XXGFBHGLRMFKDM-VQIMIIECSA-N 416.202 4.392 0 1 HIAF Cc1noc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587585302 DAKAVFNJSPKCHQ-DENIHFKCSA-N 400.390 4.454 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCN(Cc1ccccc1)C2 587593138 JKQPGRCAAVDYNE-DHLKQENFSA-N 401.462 4.389 0 1 HIAF CCn1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587708892 FSDSVWQGTCAVNZ-ABKXIKBNSA-N 420.248 4.453 0 1 HIAF COc1ccc(-n2cccn2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587756440 DRDDABYKIXXNHX-YUNKPMOVSA-N 416.294 4.406 0 1 HIAF COc1ccc2[nH]c(O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802332 LGULKUCPDZWGSE-LZVRBXCZSA-N 405.267 4.407 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1CC 962639321 VTAHFKIOBTTXQP-SHACYNPGSA-N 414.546 4.219 0 1 HIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cn(CC(=O)OC)nc1-c1ccccc1 963236916 YFUOBXXSXLZSKA-IQGLISFBSA-N 403.526 4.469 0 1 HIAF COc1cccc([C@H]2Oc3ccccc3[C@]3(NCCc4cc(Cl)ccc43)C2=O)c1 963391621 VRKPAFWYOJVIOW-VWNXMTODSA-N 405.881 4.441 0 1 HIAF CN1c2ccc(F)cc2-c2ccnc3[nH]c(C4=CCNCC4)c(c23)[C@@H]1c1cnn(C)c1 1772626293 FUWWBWFHMBBTKE-QHCPKHFHSA-N 414.488 4.018 0 1 HIAF CC(=O)O[C@@H]1CC[C@H](O)[C@@]23C[C@@H](C[C@@H](OC=Cc4ccccc4)[C@@]12C)C(C)(C)O3 2356636859 YHIPIHWCMHCVMP-KVOBWYIXSA-N 400.515 4.093 0 1 HIAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCN(c2ccccc2)CC1 2356754439 CHTHKFISGABFIK-OAHLLOKOSA-N 411.889 4.011 0 1 HIAF CCOC(=O)c1cc(-c2ccccc2C)n(C[C@@H]2CC(c3ccc(OC)cc3)=NO2)n1 61959387 UOJUSKOHMKQQRU-IBGZPJMESA-N 419.481 4.237 0 3 HIAF CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NCCOC 2481981 YGSSMFAVZOQXDC-UHFFFAOYSA-N 400.862 4.437 0 1 HIAF O=S(=O)(c1ccccc1)[C@@H]1C[C@H]2O[C@@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 13675735 ONZSWOKBHMLNCW-LGVFNWMJSA-N 420.486 4.022 0 1 HIAF COC(=O)C(C(=O)OC)[C@@H]1CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C1 13685720 UXVAZCBFNZLQHS-GOSISDBHSA-N 410.466 4.052 0 1 HIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@@H]3C=C12 15959183 HDAJZIPHBMYKGQ-MTTURAJASA-N 421.581 4.290 0 1 HIAF biogenic O=C(N[C@H]1CCN(Cc2ccc3c(c2)OCO3)C1)c1ccc(-c2cccs2)cc1 28529680 HLYMHQWTEQNZLL-IBGZPJMESA-N 406.507 4.148 0 1 HIAF CC(=O)c1ccc(OC[C@@H](O)CNCCC(c2ccccc2)c2ccccc2)cc1 28636397 VPBXCBOBPMBDNR-DEOSSOPVSA-N 403.522 4.441 0 1 HIAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N[C@H]2CCCNC2)ccc1Cl 28825941 JUYSWACHEITKQL-UVLALUNPSA-N 401.982 4.450 0 1 HIAF COc1ccc([C@H]2CC(=O)N(c3ccc([S@](C)=O)cc3)C2)cc1OC1CCCC1 34820588 SLQGHFMGFHMPMA-SFNQZPIRSA-N 413.539 4.275 0 1 HIAF Fc1ccc2cccc(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)c2c1 64548798 JVMBIOQCKALKPB-UHFFFAOYSA-N 405.517 4.173 0 1 HIAF CN(C(=O)[C@@H]1CC[C@H](NC(=O)C(F)F)C1)c1ccc(-c2nc3ccccc3o2)cc1 72125231 VAACVJPHWQLZDB-CABCVRRESA-N 413.424 4.008 0 1 HIAF Cc1nc2cnc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 73296137 DAFSCUDUKCWLDL-KRWDZBQOSA-N 410.493 4.152 0 1 HIAF COCCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc(C)c2)n1 82146428 OIFQLNJNXQLJDK-UHFFFAOYSA-N 424.932 4.484 0 1 HIAF CCSCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CSCC)ccc1-2 96938166 FHBLOARAVBSMFD-UHFFFAOYSA-N 414.552 4.281 0 1 HIAF CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc([125I])cc2)C1 101490154 SFEBAZSWFKLMDP-LPHVGHPSSA-N 411.687 4.270 0 1 HIAF Cc1ccc(CNCC2(F)C[C@@H]3CC[C@@H](C2)N3C(=O)c2ccc(F)c(Cl)c2)nc1 102415706 ZDFVLXOCUFWUML-ROUUACIJSA-N 419.903 4.448 0 1 HIAF CCOc1ccc(C2(c3ccc(OCC)cc3)NC(=N)N(C3CCCCC3)C2=O)cc1 103243783 MQIZZAWCFMITBV-UHFFFAOYSA-N 421.541 4.427 0 1 HIAF CC[C@@H](NC(=O)c1cc(C(=O)NCc2nccs2)c2n1CCCC2)c1ccccc1 143851563 ZLYXZZQRBWQKAF-GOSISDBHSA-N 422.554 4.092 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@@]12C 169322158 WNENMRZSIGSSCW-ZJEBJZSVSA-N 400.607 4.190 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@H]3CC)nn2-c2ccccc2)c1 169707006 UTRJSZWCCXCAFG-SFTDATJTSA-N 416.525 4.203 0 1 HIAF O[C@@H]1CN(Cc2cccs2)[C@H](c2ccc(Cl)cc2)C[C@H]1n1cc(C2CC2)nn1 299812922 POGGJSCXAAFIMY-PWRODBHTSA-N 414.962 4.420 0 1 HIAF O=C(O)c1ccc(CCNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)cc1 299822796 DGOZODDVJGLFBX-VWLOTQADSA-N 420.553 4.223 0 1 HIAF CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)o1 299877046 GQVJCKBBXNGZDU-UUFZOTSOSA-N 415.486 4.383 0 1 HIAF O=S(=O)(Cc1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1)c1ccccc1 586922684 YNUYHYRJPRYILR-UHFFFAOYSA-N 401.850 4.391 0 1 HIAF Cc1cc(F)c2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)[nH]c2c1 586943841 HABFVSXTVDTYQQ-UHFFFAOYSA-N 415.515 4.260 0 1 HIAF CCOc1ccccc1[C@](N)(c1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(F)(F)F 587091902 HQRLLMUVCVGLHY-IBGZPJMESA-N 419.382 4.051 0 1 HIAF CC1=C(c2ccc3nc(-c4cccc(NC(=O)CC(C)(C)C)c4)[nH]c3c2)NNC(=O)C1 587241826 JALYAUUQMSAFTI-UHFFFAOYSA-N 417.513 4.360 0 1 HIAF COC(=O)c1cc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2cc1OC 587244927 RQXAKCUGWXYEBT-UHFFFAOYSA-N 401.422 4.277 0 1 HIAF CCc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351322 UFMWNDJFJFUJKK-QPPBQGQZSA-N 403.409 4.300 0 1 HIAF CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587391239 QPUHDIPODGLNSD-GMAHTHKFSA-N 418.493 4.432 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1sc(=O)n(Cc4ccccc4)c1Cl)[C@@H](C2)C3=O 587454167 VLUMBEVNANBHLL-KSSFIOAISA-N 413.882 4.109 0 1 HIAF C[C@@]1(Cc2nc(-c3ccccc3)no2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586652 KZYJVOZNECIRMD-RDPSFJRHSA-N 414.417 4.405 0 1 HIAF CSc1ncccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657715 FTFZAVSHWWLVHL-UHFFFAOYSA-N 409.417 4.147 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2ccnc2)(c2ccc(F)cc2)N1 587729776 DJMNICNATCMTEW-ZUOKHONESA-N 418.285 4.402 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cccc(F)c2)N1 587736339 ZKLXSXKLFJJHFG-WYRIXSBYSA-N 410.258 4.370 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587756072 JXQNPDQLYQQNEZ-ZMZPIMSZSA-N 409.347 4.135 0 1 HIAF CCOC(=O)/C=C/[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792320 BPNZHAKYRNRUAK-KVFCPIJKSA-N 418.306 4.485 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@]3(c4ccccc4COc4cc(F)ccc43)c3cccc1c32 963025071 JJLSGFVCUUKUKS-CPJLOUKISA-N 400.453 4.063 0 1 HIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(C=COC(C(F)(F)F)=C2)N1 963206843 YYLRFEDRFKQBKI-OTYXRUKQSA-N 413.701 4.143 0 1 HIAF Cc1ccccc1C[C@@]1(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21 61929760 AHSIUPYCIWYTAM-HSZRJFAPSA-N 412.555 4.059 0 3 HIAF O=C(N[C@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(F)c1 199410946 PSWUEORRDPJUTN-SFHVURJKSA-N 408.395 4.156 0 3 HIAF CCCCOc1ccc(C(=O)N[C@@H]2CCCCN(Cc3ccc(C)cc3)C2=O)cc1 200053180 LROQQBRPTIYBJW-HSZRJFAPSA-N 408.542 4.485 0 3 HIAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC 4296898 ILCNFUAYPDLQLX-PZJWPPBQSA-N 416.905 4.365 0 1 HIAF C[C@H](O)[C@@H](C)C(=O)c1c(O)c2c(c3c1OC(=O)C[C@@H]3c1ccccc1)OC(C)(C)C=C2 13382714 LPOJHKDMSLEMHR-JKIFEVAISA-N 422.477 4.217 0 1 HIAF biogenic,in-vitro CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)CC[C@@H](OC(C)=O)[C@@]12C 13482467 ZJOXMWJKQWLNFX-YBFVYHPSSA-N 416.514 4.194 0 1 HIAF COc1ccc2c(C(=O)N(C)CC(=O)O)c(C(F)(F)F)ccc2c1C(F)(F)F 13823564 LOWNVRUYBKYVHM-UHFFFAOYSA-N 409.282 4.043 0 1 HIAF O=C1c2ccccc2CN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 28866178 CROXIASATJXZSZ-UHFFFAOYSA-N 417.475 4.264 0 1 HIAF COc1ccc(N2CC[C@@H](c3ccc(F)cc3)C2=O)cc1OCCN1CCCCC1 40567214 BOZMBSXPGWBGBZ-NRFANRHFSA-N 412.505 4.220 0 1 HIAF O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 73298514 LFGACFGWTJMDPZ-ALFLXDJESA-N 411.461 4.023 0 1 HIAF in-vitro COCCn1c(-c2ccc(OC)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82187716 NZYUQLQCPIHNPR-KRWDZBQOSA-N 417.513 4.364 0 1 HIAF Cc1cc2ccccc2n1S(=O)(=O)c1ccc2c(c1)c1c(n2C)C[C@H]2CC[C@@H]1N2 96175276 LWGPDTZLECGYJQ-APWZRJJASA-N 405.523 4.028 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1cccc(F)c1 203324660 JOIDHRFTHQCSBQ-IBGZPJMESA-N 408.429 4.151 0 1 HIAF CC1=CCC[C@H]2[C@@]1(C)C[C@H](O)[C@@H](COC(=O)CCC(=O)O)[C@]2(C)CCc1ccoc1 238742174 SENGMOFNXGYJSV-YBROWDRVSA-N 418.530 4.370 0 1 HIAF COc1ccccc1N1CCN(CCCCCn2c(=O)sc3ccccc32)CC1 299825781 JWGIAFVZOMFXLK-UHFFFAOYSA-N 411.571 4.064 0 1 HIAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3ccccc3cc2[nH]1 586947238 ZSJDZCHEAXBLSA-SFHVURJKSA-N 421.522 4.149 0 1 HIAF O=C(O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586967210 ZTTWOJCHPNVFBE-UHFFFAOYSA-N 405.483 4.071 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587042755 LWZWQDCVCUVARC-AWEZNQCLSA-N 409.801 4.193 0 1 HIAF Cn1nc(-c2nc3c(O)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130763 PYLGSNATLOGFCX-UHFFFAOYSA-N 407.380 4.486 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](Cc2cccc(F)c2)(C(=O)O)[C@H]1c1ccc(F)cc1 587332123 IZHQOISNEDXCEC-NZQKXSOJSA-N 410.372 4.095 0 1 HIAF Cn1cnc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cnc21 587343153 RXWQJAFUUJAVAO-REWPJTCUSA-N 403.413 4.087 0 1 HIAF COc1cccc(C2=C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3O2)c1N 587391010 QTQXVFOYZPAETI-VWLOTQADSA-N 414.461 4.462 0 1 HIAF CC(=O)OC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547559 MGZIDOUHRPONQU-NZQKXSOJSA-N 424.836 4.466 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN(C)C 587568370 BWWCLRTYFMMQJN-ZJSXRUAMSA-N 405.450 4.165 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cn2)N1 587683583 OCPVQFQULLIAPB-ANRSDYALSA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3[nH]cnc(Cl)c2-3)N1 587703816 HLHOTWJYNLWZRE-WNWIJWBNSA-N 409.690 4.262 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587734837 WGNYSOIDCBREKB-ODXCJYRJSA-N 424.285 4.458 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Cl)ccc(F)c12 587734882 SFJMLHIGYYFIDW-GJEGPGMTSA-N 413.649 4.111 0 1 HIAF CC(=O)OC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587737059 WAUHQTWJPZMFGP-NSPYISDASA-N 410.258 4.068 0 1 HIAF COCCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587789771 CPHCOSAPALFIMU-ZUOKHONESA-N 408.311 4.411 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccc(OC(F)F)c2)N1 962697160 LNTDMHDYIHRDLD-HUUCEWRRSA-N 405.294 4.134 0 1 HIAF COc1cccc2cc3c(nc12)[C@](C(=O)O)(c1cc(Cl)sc1Cl)NCC3 963049843 BBFUUDMAXHPQRC-SFHVURJKSA-N 409.294 4.086 0 1 HIAF COc1cc2c(cc1OC)[C@H](c1ccc(C)s1)N(C(=O)c1ccccc1N)CC2 963158999 UGJLCHGEQSUHRJ-JOCHJYFZSA-N 408.523 4.444 0 1 HIAF Cc1nc([C@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)s1 963183183 SNLXDJUNDWPUPZ-BDJLRTHQSA-N 404.841 4.295 0 1 HIAF Cc1ccc2nc([C@]3(C)N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)[nH]c2c1 963199938 WOOKHSQKSCSNTC-IFXJQAMLSA-N 423.822 4.406 0 1 HIAF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C[C@]5(CC[C@@]43C)NCCc3ccc(O)cc35)[C@@H]1CCC2=O 963354264 VQLMAEOUQJWKGI-VHVXHXKPSA-N 421.581 4.236 0 1 HIAF Cc1nc2n(c(=O)c1CCN1CCC(c3cccc4sccc34)CC1)CCC[C@@H]2O 1772588237 YYHRMWYQOMFFHW-NRFANRHFSA-N 423.582 4.016 0 1 HIAF CO[C@H]1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772623392 SJXKVERJOYIPFL-INIZCTEOSA-N 417.387 4.302 0 1 HIAF C[C@@H](OC(=O)Cc1c(-c2ccc(Br)cc2)nnn1C)c1ccccc1 1772640953 KFPYGWLKMFYPCL-CYBMUJFWSA-N 400.276 4.092 0 1 HIAF COc1c(Cc2cccc(C)c2C)cc(=O)n2c1SC[C@H]2C(=O)Nc1ccccc1 1857541210 FOQVAWJFJUXZSY-FQEVSTJZSA-N 420.534 4.350 0 1 HIAF CN=c1[nH]c2cnc(Nc3cc(C(F)(F)F)ccc3F)cc2n1Cc1ccco1 1857600817 ABBGNFUKUJVKSO-UHFFFAOYSA-N 405.355 4.438 0 1 HIAF C=CC(=O)Nc1ccc(-n2c(=O)ccc3oc4ccc(-c5cnn(C)c5)cc4c32)cc1 1857766601 CODAHAZENHSGIF-UHFFFAOYSA-N 410.433 4.262 0 1 HIAF Cc1ccc(-c2onc(-c3ccccc3)c2S(=O)(=O)NC(=O)c2cccs2)cc1 1857774126 NBQRKSBVYWXJGU-UHFFFAOYSA-N 424.503 4.497 0 1 HIAF O=C(NCCCN1CCN(C2CCCCC2)CC1)Nc1ccccc1C(F)(F)F 22458273 YMRPEOFBUIDGHV-UHFFFAOYSA-N 412.500 4.167 0 3 HIAF COc1cc(-c2cc(NC=O)c3ncc(-c4ccc(F)cc4)n3c2)cc(OC)c1OC 61895592 JPVHZHDHJVYOLX-UHFFFAOYSA-N 421.428 4.402 0 3 HIAF COc1ccc(OCCNC(=O)[C@]2(C)CCN2Cc2ccc3ccccc3c2)cc1 61895927 DGINFDBYVSIEMX-VWLOTQADSA-N 404.510 4.008 0 3 HIAF CCCN(CCOC)c1cc(C)nc2c1NCCN2c1cc(OC)c(OC)cc1C 14975065 AFUAFKJTBVGMRP-UHFFFAOYSA-N 414.550 4.142 0 1 HIAF COC1=C[C@]23C=C[C@H]1[C@@H](c1ccccc1)C2=C(C)C(=O)N3C(=O)NC1CCCCC1 17195723 IPVTXSSBFHSCEP-DZRGJMJISA-N 404.510 4.440 0 1 HIAF CCOC(=O)C1=CN(C(=O)c2ccc(OC)cc2)C[C@H](C)c2c1[nH]c1ccccc21 34450936 CBDVUOINKZEDHQ-HNNXBMFYSA-N 404.466 4.340 0 1 HIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCO[C@H](C)C5)C[C@]4(C)[C@H]3CC[C@]12C 72135692 KGJWHJYOHYZZIH-KAEBXZCCSA-N 417.634 4.294 0 1 HIAF CC(C)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N1CCCCC1 82082324 KWLBNUMHWBVWBS-QGZVFWFLSA-N 405.951 4.230 0 1 HIAF COc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)c(=O)oc2cc1OC 95598396 IYQZVACOXVKLHS-UHFFFAOYSA-N 409.482 4.101 0 1 HIAF Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@H]34)cc2)c1 95875567 AJFGPRMGCHYGQR-UBFVSLLYSA-N 421.585 4.005 0 1 HIAF Cc1nc(-c2cccc(C(=O)N3CCC[C@H](C(=O)Nc4ccc(Cl)cc4)C3)c2)no1 96272122 ZVXAXLBXZOUNJB-KRWDZBQOSA-N 424.888 4.189 0 1 HIAF Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2NC(=O)CCc1ccccc1 96284887 XJFOIGOFHXJCFG-RUZDIDTESA-N 421.504 4.174 0 1 HIAF COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C 103116453 ZQZLNUMNWMAXIZ-CILRUFCJSA-N 405.538 4.047 0 1 HIAF CC(=O)c1cccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1 113391121 LCPJMXAFVJTRHA-UHFFFAOYSA-N 423.480 4.305 0 1 HIAF CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCO[C@H]2CC(=O)O)cc1C#N 114896231 OFXSCSPYUFTYDL-QHCPKHFHSA-N 420.465 4.425 0 1 HIAF CC(=O)OC[C@@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 139830492 PDMLWQRUTOFRTQ-DWAKBZQMSA-N 420.546 4.349 0 1 HIAF COc1cc(CN)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204147055 YXVYSPKXSBYLNI-UHFFFAOYSA-N 414.513 4.046 0 1 HIAF COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)/C=C/c1ccc(O)c-2c1 238785339 CDTGNBVPXHNHGE-DJMBKUCCSA-N 421.493 4.401 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC4(c5ccccn5)CCCC4)ncc23)ccn1 261131129 LCWXGWLAACXCKO-UHFFFAOYSA-N 413.485 4.314 0 1 HIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)c(C)nc2[nH]1 586915358 DFLCJLBJEIWHJF-YJYMSZOUSA-N 400.276 4.245 0 1 HIAF O=C(c1nc2cc(CN3CCOCC3)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133278 NPTKZIUPUZNXNH-UHFFFAOYSA-N 408.260 4.072 0 1 HIAF O=C1C[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587147814 BRHBUKVMUIZSAC-LLVKDONJSA-N 411.330 4.256 0 1 HIAF O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(C(=O)O)[C@H]1c1ccc(F)cc1 587351642 KISDRTGCWAIGTH-URXFXBBRSA-N 406.409 4.346 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccc(C(=O)O)o4)cc1)[C@@H](C2)C3=O 587455183 KLMXVAQKQXMADY-MHECFPHRSA-N 420.417 4.228 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522741 HNPKAZODDCSBLM-RUZDIDTESA-N 424.493 4.397 0 1 HIAF CCc1nn(CC)c2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583389 VVWJMAYQXQUDCD-URXFXBBRSA-N 404.466 4.364 0 1 HIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC 587592791 KNGAIEWLBIDIRP-DENIHFKCSA-N 408.406 4.121 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@H]1C[C@H]2CN(Cc2ccccc2)C1 587594964 NWZCGVBZIRJHKF-SFYKDHMMSA-N 413.473 4.245 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccco2)N1 587707374 UOFYPMHGUDJYFO-XXFAHNHDSA-N 420.200 4.481 0 1 HIAF CC(C)OC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587707496 UUTRKYPUHJHTPA-BJOHPYRUSA-N 412.221 4.222 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2OCCO2)(c2cccc(F)c2)N1 587730673 JXHMHDYOFOFIPZ-YUNKPMOVSA-N 424.285 4.268 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587774069 LXMOAHHLTNZHQK-BNVDUDBASA-N 411.315 4.101 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587825154 BLSBQLCMKKYNGD-WDBMACOESA-N 408.311 4.229 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2(C(=O)O)CC2)N1 587825387 HRMHAWDUDZTOCY-YUNKPMOVSA-N 404.279 4.231 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)sc3c2CCN(C)C3)N1 587854699 RYSJKLHLWXLRMJ-DGIBIBHMSA-N 424.383 4.018 0 1 HIAF O=C(O)/C(O)=C/[C@@H](O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 653838499 GEFQRAXWKSPHSD-OKPNHQCWSA-N 421.965 4.432 0 1 HIAF COc1ccc([C@@]2(c3nccs3)c3ccsc3CCN2Cc2cccn2C)cn1 962368299 AFHLAXWSBCMWBE-QFIPXVFZSA-N 422.579 4.297 0 1 HIAF CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12c1c(ccc(OC)c1OC)C[C@H](C)N2C 962623504 KKGDTGQERFFOQG-VWFBZHOWSA-N 403.563 4.411 0 1 HIAF Cc1ccccc1[C@@]1(c2ccccn2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962667466 NYWOSLPVNRZWPN-SVBPBHIXSA-N 423.516 4.329 0 1 HIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1 962964972 KISCAGYHOABXRX-ABAIWWIYSA-N 407.722 4.031 0 1 HIAF COc1ccccc1N1CCN(CC(=O)N2c3ccccc3Oc3ccccc32)CC1 1772601541 ZDHCFGIIFLMWRS-UHFFFAOYSA-N 415.493 4.288 0 1 HIAF CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NC(=O)CSc2ccncc2)C1 12314059 SDDLASZFYFMFAI-IBGZPJMESA-N 410.518 4.328 0 3 HIAF Cc1ccc(F)cc1C(=O)N1CCC[C@H](c2cc(C(=O)NCc3ccccc3)no2)C1 61930109 KNZSZNIRQCWKIS-SFHVURJKSA-N 421.472 4.072 0 3 HIAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl)N1CCOCC1 4296607 FPFJPAVQGKFFSO-HKUYNNGSSA-N 423.271 4.083 0 1 HIAF CN(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1noc2ccccc12 12356399 JPOVKHZRJJFBHM-UHFFFAOYSA-N 423.488 4.024 0 1 HIAF COc1ccc(CCC(=O)c2c(O)cc(O)c3c2OC(=O)C[C@@H]3c2ccccc2)cc1 13382650 NJBYGZXCUVMTGT-GOSISDBHSA-N 418.445 4.363 0 1 HIAF biogenic CCC(=O)[C@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@@H]2CC[C@H]1N2 13439761 IPBBJWDRJMAEIL-CIGZNWKYSA-N 403.691 4.148 0 1 HIAF COc1ccc2c(Cc3c(Cl)c[n+]([O-])cc3Cl)nnc(-c3nccs3)c2c1 13536063 FYEUTUDJCAUZQG-UHFFFAOYSA-N 419.293 4.293 0 1 HIAF CCCCNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccc2)c1 29050192 JLJRXOZNFCRZST-UHFFFAOYSA-N 400.486 4.397 0 1 HIAF COc1cc2c(C3=C(c4coc5ccccc45)C(=O)NC3=O)cn(C)c2cc1Cl 40936959 RXZXNUDSTKUTLV-UHFFFAOYSA-N 406.825 4.154 0 1 HIAF O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OCCCN2CCOCC2)cc1 43018156 BXZVMRCSXVXBPB-UHFFFAOYSA-N 412.574 4.333 0 1 HIAF O=S(=O)(Nc1ccc2[nH]c3ccncc3c2c1)c1ccc(Br)cc1 64560245 KXUQZCUBDNVPGD-UHFFFAOYSA-N 402.273 4.279 0 1 HIAF O=C(O)C1CN(Cc2ccc(-n3cc4cc(Cc5ccccc5)ccc4n3)c(F)c2)C1 66097493 WDFVHOYNWCMIEO-UHFFFAOYSA-N 415.468 4.272 0 1 HIAF Brc1ccccc1-c1nc(CN[C@@H]2CCN(Cc3ccccc3)C2)co1 72186618 HZEZQAQTQXPWOE-QGZVFWFLSA-N 412.331 4.468 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)C4=CO[C@@H](O)[C@@H]4[C@@]3(C)[C@H](O)C[C@H]21 82047251 GWMJGXIMJHRZRE-ZBIFHOEUSA-N 404.591 4.236 0 1 HIAF Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(O)c1)n2C[C@H]1CCCO1 82180142 OQPYHVDHJQPLDT-HXUWFJFHSA-N 415.497 4.298 0 1 HIAF CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2cc(O)cc(O)c2)cs1 82197884 PKEJSVMOFNBMHG-INIZCTEOSA-N 409.577 4.061 0 1 HIAF CC(C)Oc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100632760 WJLQDOOELRWEQR-KXBFYZLASA-N 410.539 4.148 0 1 HIAF CC(C)(C)C(=O)Nc1ncnc2c1cnn2CCCCN1CCC(C(C)(C)C)CC1 145093080 AAHDLHPMFYUMJL-UHFFFAOYSA-N 414.598 4.349 0 1 HIAF O=C1C=C(C(F)(F)F)[C@H]2C=C(N(Cc3ccccc3)CC(F)(F)F)C=C[C@@H]2N1 169362496 XXMVSLOGYARTFA-ZBFHGGJFSA-N 402.338 4.108 0 1 HIAF Cc1nn(Cc2ccc(NC(=O)c3coc4ccccc34)cc2)c(C)c1CC(=O)O 169703219 SRPVFZPRWAIZKU-UHFFFAOYSA-N 403.438 4.174 0 1 HIAF O=Nc1c([C@H]2C(=O)Nc3c(Br)cccc32)[nH]c2cc(C(=O)O)ccc12 169729487 NJEJOGPXFFQZGI-LBPRGKRZSA-N 400.188 4.111 0 1 HIAF Cc1c(Br)cnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 587120004 NFMDFFRSXCAXNV-UHFFFAOYSA-N 414.229 4.171 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(N)cc(C(=O)O)c4)[nH]c3c2)cc1 587249665 QRFDPLVMOOZWMR-UHFFFAOYSA-N 403.394 4.089 0 1 HIAF Cc1cc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)n2n1 587349074 TWUNIGRREOPMCT-LADGPHEKSA-N 417.440 4.465 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)C[C@H]2F 587567034 BLPSTJLIWWIZCS-OTNCWRBYSA-N 419.452 4.337 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587727221 BDPSLWFGBRXPBI-FKIZINRSSA-N 424.285 4.458 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCNC(=O)OC(C)(C)C)N1 587752576 DSNLVOHCQNMFLR-ZMZPIMSZSA-N 401.320 4.252 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccc4c3n(c2=O)CC4)N1 587790843 JCRXFVNQERQKNF-WYRIXSBYSA-N 413.290 4.083 0 1 HIAF COc1ccc(OC)c2c1CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587810558 SWTZAVWOOVKJBL-YBTHPKLGSA-N 406.295 4.329 0 1 HIAF CCCNc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587854387 TWNKCIMOXXQJEX-MLCYQJTMSA-N 412.372 4.973 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(NC(C)=O)cc1 587862456 OKVXCMGILIALMU-UHFFFAOYSA-N 403.360 4.224 0 1 HIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(I)cnc2[nH]1 587927498 RQKSWIPFEIDQJR-GFCCVEGCSA-N 423.254 4.122 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3CCc4ccc(OC)cc4C3)nc2c1 587935869 VTFSBIYDFRXHBQ-GFCCVEGCSA-N 415.287 4.393 0 1 HIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@]34CCN3Cc5ccccc5N[C@H]34)C2)cc1 962648685 XZKPUWSAVJVHPG-RTVRTQBESA-N 422.576 4.286 0 1 HIAF COc1cccc([C@]2(c3ccc(C(C)C)cc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)n1 962903721 MXLYTTPDMYAVON-SQJMNOBHSA-N 420.484 4.244 0 1 HIAF COc1cc(N(Cc2cccc(C)c2C)CC2CC2)cnc1C(=O)[C@@H]1C[C@@H]1C(=O)O 1772586904 LRXJWJPKMGAWTD-UXHICEINSA-N 408.498 4.027 0 1 HIAF COc1ccc(CC2(CO)CCN(CC3=Cc4cc(Cl)ccc4OC3)CC2)cc1 12472522 IJFWMGUGQKMKQO-UHFFFAOYSA-N 413.945 4.442 0 3 HIAF COc1ccc(-c2nc(CNC(=O)CSC)sc2-c2ccc(OC)cc2)cc1 13735823 ZCBXREFRLNYWFN-UHFFFAOYSA-N 414.552 4.474 0 1 HIAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccc(N)cc1 13739976 LIIDBNSZSIVLLR-HXUWFJFHSA-N 406.357 4.414 0 1 HIAF CN1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 13830312 NAUKMVYHSOLHCJ-IBGZPJMESA-N 419.388 4.447 0 1 HIAF CN(C)/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 13863682 FSGPEDYXNUKDAG-CMDGGOBGSA-N 412.291 4.150 0 1 HIAF CCC[C@@H](OC)N1CCn2c(=O)n(-c3ccc(C(F)(F)F)cc3)c3nc(C)cc1c32 28472365 QFKKUPZUHVQGOS-QGZVFWFLSA-N 420.435 4.107 0 1 HIAF C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1 28759237 BCJPDCQDUPNYGF-SFTDATJTSA-N 422.569 4.468 0 1 HIAF CCOC(=O)CCC/C=C/C[C@@H](COCc1ccc(OC)cc1)Cn1ccnc1 29484304 BZHVEDAKNKBZJU-KOXUSJRISA-N 400.519 4.404 0 1 HIAF CCCOc1cc(C)c2c(c1C)C[C@@H]([C@@H](C)C(=O)N1CCC(C(=O)O)CC1)CC2 33622337 IPFUINKNWRNDQA-APWZRJJASA-N 401.547 4.156 0 1 HIAF biogenic Clc1ccc(-c2[nH]nc(C3CCN([C@@H]4CCOC4)CC3)c2-c2ccncn2)cc1 49069582 TYOFBPUAMABHNL-GOSISDBHSA-N 409.921 4.155 0 1 HIAF COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4ccccc4c32)cc(OC)c1OC 71294945 UULOMMXEMZNCOG-HXUWFJFHSA-N 403.434 4.234 0 1 HIAF COc1cc2nc(NCCc3ccc(O)cc3)nc(NCCC(C)C)c2cc1OC 82130392 TVCNYWMHMOXLQI-UHFFFAOYSA-N 410.518 4.465 0 1 HIAF CCCCCNc1ncnc2c1nc(-c1ccc(C(=O)OC)cc1)n2C[C@H]1CCCO1 82186336 GRCXRKQGSGUHIU-GOSISDBHSA-N 423.517 4.061 0 1 HIAF C[C@@H](c1ccccc1)N1C[C@H]2[C@H](NC(=O)[C@@](O)(c3ccccc3)C3CCCCC3)[C@H]2C1 101141655 LCDQNPJMKVBLRS-ZYXGYTSCSA-N 418.581 4.262 0 1 HIAF Cc1ccc(-c2ccc(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)cc2)cc1C 101331184 ATLCLKVCFGVILG-UHFFFAOYSA-N 420.490 4.128 0 1 HIAF S=C1N[C@H](c2ccccc2Cl)[C@H]2CNC/C(=C\c3ccccc3Cl)[C@@H]2N1 103231008 ULTQRBSNPGXDHC-GIYUKYOTSA-N 404.366 4.184 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3cnn(C)c3)cc2F)n1 142136500 DRYDEBSDCWGMGB-IFXJQAMLSA-N 424.480 4.171 0 1 HIAF Brc1ccc(-c2cnc3nnc(Cc4c[nH]c5ccccc45)n3n2)cc1 200622610 TWNJPOVZLPPMMG-UHFFFAOYSA-N 405.259 4.021 0 1 HIAF Cc1nc([C@H](CC2CC2)NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)no1 207728891 SGTOJOOJYKXYHO-FQEVSTJZSA-N 410.518 4.491 0 1 HIAF CN=[S@](=O)(c1ccccc1)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 299868662 SBTFVXGFLOHBSX-LJAQVGFWSA-N 405.479 4.274 0 1 HIAF COc1ccc(CCNC(=O)c2nc3cc(C(F)(F)F)ccc3s2)cc1OC 473247412 CSJLWANSKFPYLE-UHFFFAOYSA-N 410.417 4.305 0 1 HIAF CS(=O)(=O)Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586994492 VACYYODAFPPNJO-UHFFFAOYSA-N 415.470 4.363 0 1 HIAF Oc1c(Br)ccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007820 SFYWTKWJLATIDY-UHFFFAOYSA-N 408.053 4.108 0 1 HIAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc3cn[nH]c3cc2[nH]1 587168512 YRPCLQIBEDVGLF-UHFFFAOYSA-N 413.459 4.108 0 1 HIAF CC(=O)OC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334896 MWRRMYYTNJPFHR-LADGPHEKSA-N 424.399 4.488 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2COc2ccc(CC(=O)O)cc21 587409622 RYPBKYPWIYUCTD-VWLOTQADSA-N 415.445 4.006 0 1 HIAF COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4n1C)(c1ccccc1)[C@@H](C2)C3=O 587430597 JMOWPTBZMSMAGJ-AFMDSPMNSA-N 410.473 4.468 0 1 HIAF CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587510338 GKYALWHHZVDIRY-XMMPIXPASA-N 406.482 4.277 0 1 HIAF COc1cc(F)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587559331 WFXFXXSJEZERHU-REWPJTCUSA-N 410.397 4.426 0 1 HIAF COC(=O)c1[nH]c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587590280 SDRRBWHVHRYVCG-JPYJTQIMSA-N 407.422 4.001 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cccc(F)c2)N1 587728109 CTNCGYTYFLAANJ-JEOXALJRSA-N 410.258 4.370 0 1 HIAF COc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587739185 GJKMIVUZMHPCLG-CPYFXGCJSA-N 419.338 4.450 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(Cc3ccccc3)c2)N1 587758949 JULXJQQHJUGASM-ZUOKHONESA-N 400.295 4.457 0 1 HIAF COc1ccc(OC)c2c1CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587807255 KLKFHVAAYWGQJM-GIPWTMENSA-N 406.295 4.329 0 1 HIAF COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)=O 587810017 WDWAOWQCGFQHTL-MGNBDDOMSA-N 408.267 4.146 0 1 HIAF CCOC(=O)c1sc(SC)c([C@@]2(C)NCCc3c2c(C(C)C)nn3C)c1C 962918036 MPUGNDQGRZPLLV-HXUWFJFHSA-N 407.605 4.221 0 1 HIAF Cc1sc2c(c1C)CCN[C@@]2(CC1OCCO1)c1ccccc1Br 963011273 PAJOJXHOFINZOE-IBGZPJMESA-N 408.361 4.280 0 1 HIAF CC(C)(C)[C@@]1(c2ncco2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963180066 GAMPIZFRUKKDJB-APPDUMDISA-N 402.800 4.235 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@H]2[C@@H]1CCCN1C(=O)OCc1ccccc1 963257596 LEFBRBLTCQQVBO-RXVVDRJESA-N 400.906 4.337 0 1 HIAF C=CC(=O)Nc1ccccc1Oc1nc(Nc2cnn(C(F)F)c2)ncc1Cl 1772630237 JDBLJGQEXWERKN-UHFFFAOYSA-N 406.780 4.382 0 1 HIAF Cc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N[C@H]3C[C@H]4CC[C@H]3C4)n2)on1 1772655515 HDRIQYNTIJUOAF-QRTARXTBSA-N 420.521 4.330 0 1 HIAF C[C@@]1(C(=O)Nc2ccc3[nH]cnc3c2)CCN1C(=O)C1(c2ccccc2)CCCC1 61925746 ISAYDBKGRHOEMP-QHCPKHFHSA-N 402.498 4.004 0 3 HIAF COc1cccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccccc2)c1OC 2724789 MNOWVXGEGCQQOD-JOCHJYFZSA-N 420.440 4.027 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC[C@@H]2OC(=O)NC2=O)cc1 29325176 JWMZVYLTBJGTOQ-NRFANRHFSA-N 420.465 4.229 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1ccccc1CCC[C@@H]1OC(=O)NC1=O 29326232 GFHIBECLUQXNJQ-FQEVSTJZSA-N 406.438 4.187 0 1 HIAF N=C(N)c1ccc2nc(-c3ccc(-c4nc5ccc(C(=N)N)cc5s4)o3)sc2c1 45364847 XILBKBJXWBCTQC-UHFFFAOYSA-N 418.507 4.401 0 1 HIAF CC(C)c1cccc([C@H]2CNC[C@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49054759 BNZWVFLAIKWMBC-RTBURBONSA-N 409.917 4.247 0 1 HIAF O=c1c([C@@H](Nc2ccccc2)c2nnnn2C2CCCCC2)coc2ccccc12 103269314 LSPQVFNCJJQMFJ-OAQYLSRUSA-N 401.470 4.486 0 1 HIAF NC1(c2ccc(-c3nc4cc(-c5nn[nH]n5)ccn4c3-c3ccccc3)cc2)CCC1 113658409 WMBHINGZKZWTND-UHFFFAOYSA-N 407.481 4.186 0 1 HIAF CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(F)c(F)c2O1 144341167 UDVRSQKMFMPYID-MRXNPFEDSA-N 401.413 4.273 0 1 HIAF Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ncccn3)cn2)cn1 224767859 BEHMGCYHTKLGCG-UHFFFAOYSA-N 410.359 4.389 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1C[C@@H](OC(C)=O)C1=C[C@@](O)(C(C)C)CC[C@@H]12 238752027 KQVWNDSMMYPVJY-PAXOCGFSSA-N 406.563 4.421 0 1 HIAF CO[C@@]1(C(F)(F)F)C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 261126935 KKHHXBXVLWYZEV-JLVBRIDZSA-N 405.482 4.247 0 1 HIAF COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]43)CC2)c1 504366961 DUJXNMSRDCOORC-TVKXAPEFSA-N 422.569 4.052 0 1 HIAF biogenic COc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2c1 586954281 ANOWWXPTJDUXCE-UHFFFAOYSA-N 413.543 4.263 0 1 HIAF Oc1c(Br)ccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006663 NAGMVJQQEFBQTL-UHFFFAOYSA-N 408.053 4.108 0 1 HIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cnc(Cl)[nH]c-2n1)c1cccc(Cl)c1 587071352 LIJDPGKEXCUXMF-GFCCVEGCSA-N 408.289 4.420 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587107844 MUKLKHLEIDCSKA-UHFFFAOYSA-N 411.449 4.203 0 1 HIAF COC(=O)c1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2n1 587128341 KCZYWYMISWRRJN-RXMQYKEDSA-N 405.739 4.079 0 1 HIAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3cncc(F)c3)[nH]c2c1 587177148 RYYMVRKHNPXZGG-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)cc(Br)c3[nH]1)C2 587246235 FCUFRDNMGQWKAN-SFHVURJKSA-N 406.711 4.330 0 1 HIAF CCOC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587336209 JPMHVBQBWWXPAK-URXFXBBRSA-N 421.424 4.377 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427786 VJJSRQJYLJOVRC-VFNWGFHPSA-N 404.821 4.084 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccc(O)cc1)(c1ccc(O)cc1O)CC2=O 587490924 SVGSIRYMYXTBNW-XMMPIXPASA-N 406.434 4.371 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Br)c1F 587570377 WKXMEKJIEFPQDB-KSSFIOAISA-N 416.202 4.392 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)ncnc2Cl)N1 587704548 JHBAUAMNZWUTLA-ZIDLFYJRSA-N 405.098 4.483 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)n(C)c3ccccc23)N1 587751839 BDNOCEOWLVDZEY-XTZNXHDOSA-N 417.278 4.402 0 1 HIAF COC(=O)c1ccc2c(c1)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587805186 HDBXYUWCFBBSOU-YBTHPKLGSA-N 404.279 4.099 0 1 HIAF COc1ccc2occ([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587836970 CPYYPKRYXPNNLZ-DGIBIBHMSA-N 418.262 4.327 0 1 HIAF COC(=O)C1=C[C@H](OC(C)=O)C[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC(C)=CC(=O)O 2356466541 JYKSXPOWBJQKQL-IXUAMECASA-N 406.519 4.291 0 1 HIAF CC(C)Cc1sc(-n2cccc2)nc1C(=O)NC[C@H]1CCCN2CCCC[C@H]12 2356762136 BVVXSEBNLYUYSI-QZTJIDSGSA-N 400.592 4.127 0 1 HIAF CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1 4890147 ZDZNKAVHIGYJDT-INIZCTEOSA-N 418.519 4.042 0 3 HIAF CSc1ccccc1OCc1cc(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)no1 12308592 GVIRQIICSFDKFT-KRWDZBQOSA-N 423.538 4.326 0 3 HIAF CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)c1cc[nH]n1)c1ccccc1 13150722 GZWVTRHCASXRSY-FQEVSTJZSA-N 408.477 4.242 0 3 HIAF COc1ccc(NC(=O)c2nc(C)c([C@]3(C)CC(c4cccnc4)=NO3)s2)cc1 13478204 RXDMFYLYZSBZAQ-NRFANRHFSA-N 408.483 4.147 0 3 HIAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2Cc2ccc(OC)c3ccccc23)c1 61928882 ABWLZRNZOFWPQU-VWLOTQADSA-N 420.509 4.469 0 3 HIAF COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4211694 UGFAVJZEAMHPMC-PZJWPPBQSA-N 410.857 4.350 0 1 HIAF COc1ccc(-c2nnc(C[C@@H]3C[C@H](C(C)C)[C@@H](CN(C)CCO)C=C3C)o2)cc1 2356301975 JDFCFUOYBDKQBJ-TUNNFDKTSA-N 413.562 4.066 0 1 HIAF CCC(=O)N(c1ccccc1)C1(COC)CCN([C@@H](C)C(=O)c2cccs2)CC1 27977540 BAJOPMFJJOKSDQ-SFHVURJKSA-N 414.571 4.244 0 1 HIAF CC[C@@H](C)C=C(C)C1=Cc2cc3c(c(O)c2CO1)C(=O)[C@](O)(CC(C)=O)C(OC)=C3 2356493636 AEUOEFHLXREGMT-OZAJXLCCSA-N 412.482 4.150 0 1 HIAF CCCCC[C@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(CO)c2C=C[C@@H]1O 2356496326 UQFUUOPYXCPQFQ-JTHBVZDNSA-N 412.482 4.479 0 1 HIAF O=C1[C@H]2C[C@@H](CN2Cc2ccc(Cl)cc2)Oc2ccccc2N1Cc1cccnc1 2356607220 QWPACIBAQSRFFP-RBBKRZOGSA-N 419.912 4.304 0 1 HIAF COc1cc(OC)cc(C(=O)NC2CCN(Cc3ccc4ccccc4c3)CC2)c1 38149888 GOQYJGUAYWTBMB-UHFFFAOYSA-N 404.510 4.251 0 1 HIAF CC(C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@H](C(C)(C)O)C2 14616142 FKONHDPZVQENQZ-INIZCTEOSA-N 408.450 4.079 0 1 HIAF biogenic,in-vitro CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1-c1ccccc1 82081957 QGSRQWJKOHINED-UHFFFAOYSA-N 405.458 4.232 0 1 HIAF Cc1cc([C@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O 84652750 YZAWUNKUBAITJY-INIZCTEOSA-N 402.560 4.084 0 1 HIAF C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O 43204692 WJZSCVDXZGQPBK-CYBMUJFWSA-N 410.823 4.404 0 1 HIAF COc1c([C@H](C)Nc2ncnc(N)c2C#N)cc(Cl)c(C)c1-c1cncc(C#N)c1 146914768 SVTHXLYAWGXNEC-LBPRGKRZSA-N 419.876 4.008 0 1 HIAF Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNCc2ccccc2)cc1 95575731 LQSXSFCEWIASQF-UHFFFAOYSA-N 406.493 4.355 0 1 HIAF CC1(C)CC(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)CC(C)(C)N1 98084138 HLPXLTCRPSYKFL-BWWMBTDCSA-N 414.549 4.188 0 1 HIAF CCOc1cc2nc(=S)n(CCC(=O)NC3CCCCC3)c(O)c2cc1OCC 253496818 JFCQKMCUHRFWFL-UHFFFAOYSA-N 419.547 4.108 0 3 HIAF CC(C)=CCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1Cc1cn(CC=C(C)C)c2ccccc12 38839101 OAWWMRCJCNBULV-RPWUZVMVSA-N 419.569 4.318 0 1 HIAF biogenic C[C@@H]1CN(c2ccccc2Cl)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473106857 YHXZMTZWHIARPT-GFCCVEGCSA-N 403.269 4.385 0 1 HIAF CC(C)(C)OC(=O)NC[C@]1(Cc2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 587513690 TYWKTCGLJXMIMM-VWLOTQADSA-N 422.525 4.432 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ncc1F 587568195 GMYPUBWHGWZUKA-LPHOPBHVSA-N 416.202 4.392 0 1 HIAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cccc(C(=O)O)c2[nH]1 587231245 OIKCAPIPEKPFNZ-UHFFFAOYSA-N 416.437 4.150 0 1 HIAF C[C@H](O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588219 JZKNLEXEOWJVHA-XHCKBEORSA-N 401.418 4.111 0 1 HIAF COc1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 586920652 PGMNAMUWZBXRNJ-UHFFFAOYSA-N 404.797 4.218 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(C(=O)O)cc4[nH]3)cc2)cc1F 587147620 PXAYAZDVPZOMBX-UHFFFAOYSA-N 417.440 4.408 0 1 HIAF N=c1cc[nH]cc1-c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587249064 GGNQETSUUAMAPJ-UHFFFAOYSA-N 415.350 4.448 0 1 HIAF CCOc1nc2sccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587854303 DCHPUZILNYSUFT-LKFCYVNXSA-N 410.312 4.320 0 1 HIAF Cc1nccc2[nH]c([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc12 587217964 FZXFXQPIKNCXKC-SFHVURJKSA-N 424.501 4.356 0 1 HIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccnc(Br)c2[nH]1 587258330 HIQHTFPDSLBAOU-HNNXBMFYSA-N 424.302 4.292 0 1 HIAF CCOCCCN1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C1 587759182 FCMYNFFKFQMQHK-MDOVXXIYSA-N 413.375 4.086 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 587329300 DMEOQRINCWYJFJ-UGKGYDQZSA-N 414.335 4.149 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCC(=O)O)c2)N1 587791359 HRTLAONDXIIRGD-WYRIXSBYSA-N 408.267 4.065 0 1 HIAF COC(=O)[C@@H]1C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587811848 XMCVZRHTCYLYMV-GZNWPSJOSA-N 404.279 4.026 0 1 HIAF Cc1ccc(CNC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587753617 HQVXCYQBDCADPX-LHSJRXKWSA-N 419.338 4.353 0 1 HIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587080525 PYVFPCFVJVEPOO-SECBINFHSA-N 415.206 4.354 0 1 HIAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)CC1 586952200 DLKSHVZKRMOSNH-UHFFFAOYSA-N 407.483 4.173 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccc(Oc3ccccc3)cc1)(C(O)O)CC2=O 587478806 BUFVIYSPQAZAMD-RUZDIDTESA-N 420.461 4.308 0 1 HIAF COc1ccc(OCc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)cc1 587652081 KTCOPQIFRLTUIB-UHFFFAOYSA-N 420.852 4.326 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587702289 WFUUDOVXEJHSBB-YYSFKGJASA-N 409.686 4.280 0 1 HIAF CCCCN(CCCC)c1ccc(-c2nn(C(=O)NO)c(=O)c3ccccc23)c(O)c1 587661082 NWOUGICGKGBZGS-UHFFFAOYSA-N 424.501 4.123 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(c2cccnc2)N1 587771983 MRISHXLLGZIKFX-SZNDQCEHSA-N 412.306 4.399 0 1 HIAF COC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587804961 GATHJGVOURNHAZ-MTJIALIYSA-N 406.295 4.175 0 1 HIAF CC(=O)c1ccc(OCCCCCCN2CCN(Cc3ccccc3)CC2)cc1O 1772623711 SDUDFQIXRKFKKE-UHFFFAOYSA-N 410.558 4.352 0 1 HIAF C[C@H](O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 169710741 FOPTWJFCLCQKIQ-KBXCAEBGSA-N 410.495 4.112 0 1 HIAF Cc1ccc(COc2ccccc2C=C2CCN(S(=O)(=O)c3ccncc3)CC2)o1 1491967 ONSXMGWXDDBAJU-UHFFFAOYSA-N 424.522 4.430 0 1 HIAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)nc1 13588339 MKZLSIUZMYAZOT-UHFFFAOYSA-N 401.797 4.010 0 1 HIAF COc1cc2c(cc1OC)-c1c(oc3cc4c(c(O)c3c1=O)C=CC(C)(C)O4)CO2 14768757 OAHQAFDPMFGAMP-UHFFFAOYSA-N 408.406 4.259 0 1 HIAF biogenic,in-vitro CCN1CCN(C(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)CC1 20239245 TVVBRCQUFZZDAZ-UHFFFAOYSA-N 403.979 4.023 0 1 HIAF CCN(CC)C(=O)N(C)CC(=O)c1cccc(OCc2ccc3ccccc3n2)c1 26175644 BRFOMPXKBRDJKK-UHFFFAOYSA-N 405.498 4.390 0 1 HIAF O=C(O)CCc1cc(C(=O)c2cccc(C(=O)O)c2)ccc1OCc1ccccc1 26719710 BXELANKBNLUGIT-UHFFFAOYSA-N 404.418 4.212 0 1 HIAF CN1CCC[C@@H](n2cc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)c3cccnc32)C1 28862398 BHHPHVUPDJBAGA-OAHLLOKOSA-N 424.353 4.443 0 1 HIAF CC[C@@H]1C[C@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 40380294 WBUZWMNIWAQICA-CHWSQXEVSA-N 408.593 4.438 0 1 HIAF CCc1cc2c(=O)c(-c3nc(C)cs3)c([C@H](N)Cc3ccc(O)cc3)oc2cc1O 45186976 XZOZOYKVURKYKF-QGZVFWFLSA-N 422.506 4.441 0 1 HIAF CCCC(=O)N1[C@@H](C(=O)OCC)Cc2c([nH]c3ccccc23)[C@H]1c1cccc(O)c1 49807453 HCYQYDUEACJRJG-NFBKMPQASA-N 406.482 4.079 0 1 HIAF NCCNc1nccc2c3ccccc3n(Cc3c(F)c(F)c(F)c(F)c3F)c12 64448071 XXTRULVPKINSNE-UHFFFAOYSA-N 406.358 4.304 0 1 HIAF C[C@H](c1ccccc1)c1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 72181130 JCSAEZOESPJBNO-LJQANCHMSA-N 410.521 4.223 0 1 HIAF COc1cc2nc(N3CCSCC3)nc(NCc3ccc(C)cc3)c2cc1OC 82130032 KRJPGROFOFWWKA-UHFFFAOYSA-N 410.543 4.121 0 1 HIAF CC(C)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CCN1CCCCC1 82179680 FVMSRUBORRHNLI-UHFFFAOYSA-N 410.541 4.229 0 1 HIAF CC1(C)CCN(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3cccc(F)c3)c21 95590526 XTLVGBFNINDOSV-GXWBDACFSA-N 423.532 4.075 0 1 HIAF OC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 95873232 IBZUTKZKACVZJU-BDTNDASRSA-N 408.508 4.431 0 1 HIAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4C)C[C@@H]2N3)cc1 100106688 IFSBLCACYZLUME-FVRPBGSPSA-N 418.562 4.099 0 1 HIAF CN1Cc2ccc(NC(=O)N[C@@H]3CCOc4cc(C(F)(F)F)ccc43)cc2NC1=O 144250335 KZTXAVWOQHNAAW-OAHLLOKOSA-N 420.391 4.328 0 1 HIAF CN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)Cc1cn(C)c2ccccc12 149195731 VSLQYXQCZCSVTP-DEOSSOPVSA-N 423.944 4.024 0 1 HIAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)C1(O)CC1 169711128 HUVWCUMZGKOSQX-PUZFROQSSA-N 410.558 4.202 0 1 HIAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 221044890 QJUZTXWFBXRGOD-MHECFPHRSA-N 408.542 4.373 0 1 HIAF C[C@H](CCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 263614358 HSLYPVWJYLQYET-MMXRJIGESA-N 402.572 4.404 0 1 HIAF in-vitro CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)ncc2[nH]1 586937076 QBKFQJNSSXNVFI-ZDUSSCGKSA-N 424.979 4.001 0 1 HIAF CCOc1cc(/C=C/c2nc3ccc(C(=N)N)cc3[nH]2)cc(Br)c1OC 586976541 ASHIQLVCVXDTBP-QPJJXVBHSA-N 415.291 4.187 0 1 HIAF O=C(O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587027487 RDPULDDBRVZLCP-JVPBZIDWSA-N 409.511 4.398 0 1 HIAF CCOC(=O)Cc1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1 587241505 DRIGZJXSXZHSJH-UHFFFAOYSA-N 411.458 4.388 0 1 HIAF NC(=O)Nc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 587243294 IOYXEQVSBMXUTD-UHFFFAOYSA-N 415.169 4.382 0 1 HIAF CC(C)Cn1cc([C@]2(C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587554796 JLXWLSSOEUBLKD-AVRDEDQJSA-N 414.408 4.367 0 1 HIAF COc1cc(OC)c2c(c1)OCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608438 KZPLOIPYAGGYLR-URXFXBBRSA-N 420.417 4.049 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC(O)CC2)s1 587612717 MRBVLSWXSFQPEF-OFNKIYASSA-N 423.490 4.118 0 1 HIAF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(F)cc1F 587648935 CZHWGGSYCDPKNQ-UHFFFAOYSA-N 406.454 4.399 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3n(C)c2=O)N1 587772776 WMVWDZSKDXABHX-WYRIXSBYSA-N 401.279 4.064 0 1 HIAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC 587807340 NBVAXPLZMVQFFB-YPMLDQLKSA-N 410.283 4.238 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1cc(Br)c(C)n1 587869251 FKWHEMYYMSHTNU-GFCCVEGCSA-N 421.270 4.257 0 1 HIAF Oc1cc(-c2cccc(F)c2)c(O)n1-c1cc2cnccc2c(Br)n1 587942443 YRXGTGHRNQTMCK-UHFFFAOYSA-N 400.207 4.400 0 1 HIAF COc1cc2c(cc1OC)[C@@H](c1cc(Br)cc3c1OCC3)N(C)[C@@H](C)C2 962621874 ITDJKTAHGOWFDE-YUNKPMOVSA-N 418.331 4.367 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2conc2Cc2ccccc2)N1 962704136 UMKIAVGFZJPCMF-MOPGFXCFSA-N 420.362 4.112 0 1 HIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 963220867 IUJCLBZBMUCOHR-IEBWSBKVSA-N 422.353 4.275 0 1 HIAF CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(Br)cc3[C@@]23N=C(C)C(N)=N3)C[C@H]1C 1772599269 WHIOHQNSMXUMLN-VIWMDICNSA-N 404.352 4.057 0 1 HIAF C[C@H](N[C@H]1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ccc(F)cc2-4)CC1)C(=O)O 1772624295 IHXXNIJMUIHGBG-BBRMVZONSA-N 420.488 4.317 0 1 HIAF CCCOc1ccn2c(C(C)=O)cc(-c3nc4ccccn4c3NCCOC)c2c1 1857544303 BFPHHEAZFVQIKL-UHFFFAOYSA-N 406.486 4.304 0 1 HIAF COC(=O)N1N=C(c2cccc(Cl)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 1857552215 PEBCGGLCOVESHK-INIZCTEOSA-N 404.850 4.283 0 1 HIAF COc1ccc(CN2C[C@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)cc1 2356559265 DBPPOLLTPGDMTQ-VWNXMTODSA-N 414.505 4.264 0 1 HIAF COc1cccc(CN2C(=O)COCc3ccc(-c4cccc(C(=O)O)c4)cc32)c1 205218428 MSMANOSXVBCDRW-UHFFFAOYSA-N 403.434 4.124 0 3 HIAF O=C(Nc1ccccc1-c1nc2ccccc2o1)c1ccc(N2C(=O)CCC2=O)cc1 2483668 SBLOSICDBGKYSY-UHFFFAOYSA-N 411.417 4.401 0 1 HIAF COCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1C 2484018 OSSKAXLKMNODEI-UHFFFAOYSA-N 410.470 4.004 0 1 HIAF O=S1N=C(NCCCCc2ccccc2)C(Nc2cc(Cl)cc(Cl)c2)=N1 26284423 RTYWEAXTNBJPTO-UHFFFAOYSA-N 409.342 4.407 0 1 HIAF COc1cc2c(cc1OC)C[C@@H](O)[C@@H](NCCC(c1ccccc1)c1ccccc1)C2 27724737 ZDDQYDGPVSLKGX-LOSJGSFVSA-N 417.549 4.344 0 1 HIAF COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccc(F)cc3)CC1)OCCC2 27726170 QFUGRABRLLQWMJ-QFIPXVFZSA-N 414.521 4.059 0 1 HIAF COc1ccc([C@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2OC)cc1 27738025 PSJWUZGLTFXJPG-WOJBJXKFSA-N 420.962 4.105 0 1 HIAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(N)c1 36189217 GXYDBTCLBZLDRJ-GUCZTKFNSA-N 407.558 4.121 0 1 HIAF COC(=O)/C=C/c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 45194693 ADUGIAIXXZLOTM-GYIJXDSHSA-N 407.432 4.146 0 1 HIAF CC[C@@H](C)c1cccc([C@H](C)CC)c1OCCCON1C(N)=NC(N)=NC1(C)C 45231042 IJXIFTDGYSIUJH-HZPDHXFCSA-N 403.571 4.095 0 1 HIAF Cc1ccc(-n2nc(-c3ccc(F)cc3)cc2NC(=O)c2cnn3cccnc23)cc1 142349677 QIIZQEBZFOCYKO-UHFFFAOYSA-N 412.428 4.282 0 1 HIAF Cc1c(Cl)cc([C@@H](C)Nc2ncnc3[nH]cnc23)c(-c2cccc(F)c2)c1C(N)=O 168492397 QYVRLNBNQYDBCQ-LLVKDONJSA-N 424.867 4.393 0 1 HIAF C[C@@H](C[C@@H]1CC[C@@H]([C@@H](C)Cn2cc(-c3ccccn3)nn2)O1)OC(=O)c1ccccc1 169297122 JMQXMAWLGSWGBC-JPPTWICTSA-N 420.513 4.159 0 1 HIAF CSc1ncc2c(n1)CN(c1ccnc(C(=O)Nc3ccc(C(C)C)cc3)c1)C2 215910436 UFITUXQWYGQCSV-UHFFFAOYSA-N 405.527 4.489 0 1 HIAF Cc1noc(C)c1-c1ccc(-c2nc3cnccn3c2NCC(=O)OC(C)(C)C)cc1 299836906 NYBAHKCREUBCQF-UHFFFAOYSA-N 419.485 4.422 0 1 HIAF CC[C@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 586911876 MTMPUUWVMRRWPM-YLJYHZDGSA-N 415.515 4.045 0 1 HIAF Clc1ccc(CC2(c3nc4cc(I)cnc4[nH]3)CC2)cc1 587073988 RLCSHVYCBHOAIB-UHFFFAOYSA-N 409.658 4.490 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C[C@H]1CCCO1 587197458 PHAWRVSIBFPDRL-SECBINFHSA-N 403.376 4.035 0 1 HIAF COC(=O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587348963 HXONKZPWOWARTL-WPWBMXPQSA-N 418.420 4.446 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(OC)c(C)c1)CC2=O 587484192 XDTVZTUMKBBFRE-DEOSSOPVSA-N 412.482 4.476 0 1 HIAF C[C@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)CC(=O)c2ccc3c(c2O1)CCCC3 587521239 APYUUUMFLRNURJ-XMMPIXPASA-N 418.449 4.311 0 1 HIAF C[C@]1(c2cnc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551425 FGWVKOUCRILTJB-AUUYWEPGSA-N 403.221 4.366 0 1 HIAF C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587553297 VGJKBJUTKLEAHE-HITUBZBOSA-N 422.820 4.458 0 1 HIAF O=C(O)Cc1c(-c2ccc(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622083 AFXAJCLTWLPCJS-UHFFFAOYSA-N 406.186 4.379 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C2)N1 587742986 MTULHFYINKHATI-RGIROJJOSA-N 413.331 4.395 0 1 HIAF Cc1cc(CN2CCC(C)CC2)c(C)c([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c1 963468764 IVDQXCPXMCDOJF-WIOPSUGQSA-N 422.569 4.238 0 1 HIAF C[C@H](C[C@@H]1CCCCN1)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772599825 MXNQCNJVMWIZPS-NUJGCVRESA-N 421.549 4.173 0 1 HIAF COc1ccc2cc([C@H](C)C(=O)NCCOc3ccc4oc(=O)ccc4c3)ccc2c1 1772634602 LDQIHKKKXURECO-INIZCTEOSA-N 417.461 4.254 0 1 HIAF CC1CCN(C2CCN(S(=O)(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)CC1 1857616815 OSBBRLCCRKCWMX-UHFFFAOYSA-N 416.562 4.378 0 1 HIAF O=C(O)CCc1ccc(NC(=O)c2nnc(Cc3ccc(Cl)cc3)s2)cc1 1857761849 AQOJBUBNOMQJCY-UHFFFAOYSA-N 401.875 4.052 0 1 HIAF O=C(NN1C(=O)CS[C@H]1c1c(F)cccc1Cl)c1nsc2ccccc12 1857770700 DQJDHKDLBNWYBC-KRWDZBQOSA-N 407.879 4.008 0 1 HIAF CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1cccnc1 929380 OEIVZIJQHGFWMX-UHFFFAOYSA-N 411.483 4.445 0 3 HIAF CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 763115 ROLVZHXYYWDVMM-FQEVSTJZSA-N 407.514 4.154 0 1 HIAF c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(CNC4CCOCC4)cc3)c2)nc1 13684468 OPICSQLHBYQQDD-UHFFFAOYSA-N 411.509 4.469 0 1 HIAF Cc1ccc(CN2CCC(NC(=O)[C@@](O)(c3ccccc3)C3CCCC3)CC2)cc1 13835816 WOXZWDNEPKZBSN-AREMUKBSSA-N 406.570 4.154 0 1 HIAF CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2Cl)[C@@H]2CCNC2)cc1 28823624 NSGGVMBKDZFWJT-JOCHJYFZSA-N 413.993 4.229 0 1 HIAF CCOc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1C(F)(F)F 29388730 SQUGQWBLWRMYJX-UHFFFAOYSA-N 407.436 4.474 0 1 HIAF CC(C)N(C)c1nc2ccc(NC(=O)c3ncc(-c4ccc(F)cc4)cn3)cc2[nH]1 34104872 BCYYZFMAUJWAMF-UHFFFAOYSA-N 404.449 4.256 0 1 HIAF Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(C3CCCC3)CC2)cc1 38209674 RHHOWYRSSYGDGJ-UHFFFAOYSA-N 403.526 4.480 0 1 HIAF COc1ccc(N(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1 43178053 SGFMJWOXLAIVND-UHFFFAOYSA-N 401.466 4.453 0 1 HIAF COc1ccc(Nc2nccc(NC[C@@H](O)c3cccc(C(F)(F)F)c3)n2)cc1 45201162 IAKSAADSRPHSGZ-QGZVFWFLSA-N 404.392 4.393 0 1 HIAF O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(CN2C(=O)C(=O)c3ccccc32)o1 95563816 BNQVYQRRJRTRIA-LICLKQGHSA-N 404.809 4.155 0 1 HIAF O=C(Nc1cccc(Oc2ncnc3[nH]ncc23)c1)c1ccc(Br)cc1 95588744 CAKCWVMJYXCZCX-UHFFFAOYSA-N 410.231 4.160 0 1 HIAF CN1CCN(c2ccc(Nc3ncc4ccn([C@H]5C[C@@H]6CC[C@@H]5C6)c4n3)cc2)CC1 100389224 ACDIRSKTMRLXAX-HMFYCAOWSA-N 402.546 4.288 0 1 HIAF O=C1C[C@H](C(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)c2cc(Cl)ccc21 144247358 RRQASIUAJTWWEC-FCHUYYIVSA-N 408.929 4.232 0 1 HIAF CCn1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@@H]2c1ccc(Cl)cc1 220221209 WIFZFGUMQICZOO-LJQANCHMSA-N 420.904 4.274 0 1 HIAF CCOc1ncc2ccccc2c1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2COc1ccccn1 226038405 DQXRZOLGSQYVPN-NSHGMRRFSA-N 403.482 4.101 0 1 HIAF Ic1cccc([C@H]2C[C@@H](c3ccccc3)N3NN=NC3=N2)c1 473247728 GLNDSDBWBSURQI-CABCVRRESA-N 403.227 4.021 0 1 HIAF CCOC(=O)c1cc(Br)c2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2c1 586905443 OXRFBZMLZKEHPT-ZDUSSCGKSA-N 419.275 4.440 0 1 HIAF Cc1cc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124887 NAMXFKXYCAQKMO-UHFFFAOYSA-N 412.437 4.492 0 1 HIAF Cc1cc(Br)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F 587137816 MZXFYISLUJYLIK-UHFFFAOYSA-N 404.283 4.272 0 1 HIAF CCOC(=O)Cc1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1 587202934 IQECVILKUVPHRJ-UHFFFAOYSA-N 422.485 4.186 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587232592 ZYNWAXHSIGIALU-VXGBXAGGSA-N 414.731 4.015 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)c(F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587240456 UAYAQMFOXCKYRO-DBLBYYFGSA-N 407.461 4.396 0 1 HIAF COC(=O)c1cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2c(F)c1Nc1ccccc1 587248202 ICYVNPDADGULFZ-UHFFFAOYSA-N 420.400 4.180 0 1 HIAF CCc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351324 UFMWNDJFJFUJKK-URXFXBBRSA-N 403.409 4.300 0 1 HIAF C[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587584583 YVNYIAXBLKXJBL-CFRFINDLSA-N 401.462 4.245 0 1 HIAF Cn1c(=O)sc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587616103 BEZVZZHGPCEPQU-RXVVDRJESA-N 405.431 4.009 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587721410 PZLNGCXGNABLKA-AYVTZFPOSA-N 406.221 4.447 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587847308 TZTNLTDLAOGLPR-GIGQVBGESA-N 421.335 4.430 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@](C[C@@H]2CCCCCN2)(c2ccccc2)N1)C(F)(F)F 962763278 JYNFOYOPTAFLJB-RRPUWOKSSA-N 416.487 4.498 0 1 HIAF COc1cccc([C@@]2(c3cccc(F)c3)NCCc3cc4cccc(OC)c4nc32)n1 963061759 XUQCTEMTSVTYEI-RUZDIDTESA-N 415.468 4.224 0 1 HIAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCNC1CCCC1 1772574270 XJLSBBHZDVXUIB-PDGQHHTCSA-N 410.493 4.124 0 1 HIAF CC1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 1857559956 QSTKIFNFPVTONK-UHFFFAOYSA-N 424.916 4.244 0 1 HIAF O=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2[C@]1(O)Cc1ccc2c(c1)OCO2 1857614747 QIBAAICLHVZPND-JOCHJYFZSA-N 408.841 4.195 0 1 HIAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1OC)O[C@](C)(CC)C=C2Cl 1857616271 MWWWWJZXLKNAMH-GHTZIAJQSA-N 420.893 4.027 0 1 HIAF CC(C)N1CCN(c2ccc(-c3n[nH]c4nc(-c5ccc(N)cc5)ccc34)cc2)CC1 1857619056 PTFBNISVINLQSY-UHFFFAOYSA-N 412.541 4.405 0 1 HIAF C[C@H](C(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12)c1ccc(C[C@H]2CCCC2=O)cc1 2356761030 BYGRKFHIDXVJAJ-GMHONNGPSA-N 410.602 4.425 0 1 HIAF CC(=O)O[C@@H]1O[C@@H]2OC[C@@H]3CC[C@@H]4[C@]5(C)CCCC(C)(C)[C@H]5[C@H](OC(C)=O)C[C@]14[C@H]23 2356802410 SERLDYCEIABIGD-HNFXUQSOSA-N 420.546 4.059 0 1 HIAF Cc1ccc2c(c1)N(CC(=O)NC[C@@H](C)c1ccccc1)C(=O)c1cccnc1O2 6878059 MYHJDCZJDHPIAD-QGZVFWFLSA-N 401.466 4.062 0 3 HIAF COc1ccc2c(c1O)-c1cc(ccc1O)C=CC(=O)O[C@H]1C[C@@H]3CCCCN3[C@H]2C1 2561279 WBNJBVAHRALIOS-ZWOKBUDYSA-N 421.493 4.401 0 1 HIAF biogenic COCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O 5714671 WWPQRNIXPZCCMI-OJSCBBQISA-N 408.542 4.443 0 1 HIAF COc1ccc(CN(C)C(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(OC)c1OC 13135810 LXKZDKNVFVFFPN-BXBLUCELSA-N 407.938 4.249 0 1 HIAF COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2C[C@H]1c1ccccc1 13799490 YNZFNGNFBKOQRH-OFVILXPXSA-N 419.521 4.460 0 1 HIAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3ccc4ccccc4c3)ccc2=O)CC1 25433980 RCAMOZHZCSVTMQ-XXBNENTESA-N 413.565 4.182 0 1 HIAF biogenic COc1cccc([C@H]2c3cc4c(cc3O[C@](C)(N3CCCC3)[C@H]2C)OCO4)c1OC 31795190 QUAKHYXKSRPYCZ-PPYUERFYSA-N 411.498 4.405 0 1 HIAF O=C(Cc1cccc2ccccc12)N1CCN(c2ccccc2)C[C@H]1CN1CCCC1 40977613 VOLCOWHEAGPHMZ-RUZDIDTESA-N 413.565 4.196 0 1 HIAF CCCCC[C@@H](O)c1ccc(CN(CCCCCCC(=O)O)S(C)(=O)=O)cc1 43123556 PEGKTVODCSBWQI-HXUWFJFHSA-N 413.580 4.097 0 1 HIAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 95866493 PCECKKZHYFZSKH-DHIUTWEWSA-N 424.972 4.072 0 1 HIAF COc1cc(CN2C(=O)C[C@H](C3c4ccccc4-c4ccccc43)C2=O)cc(OC)c1 103278047 XDCHIJHVQJOFTE-HSZRJFAPSA-N 413.473 4.391 0 1 HIAF CCc1nc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3cccc(OC)c3)CC2)o1 103291267 WYXFPZYZKGHGRN-UHFFFAOYSA-N 409.461 4.014 0 1 HIAF Cn1c(C(=O)c2ccc(Oc3ncccc3-c3cc[nH]c(=O)c3)cc2)nc2ccccc21 139486356 BIPHPVDRBWZXBE-UHFFFAOYSA-N 422.444 4.347 0 1 HIAF Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2cnn3CC(C)C)nc1 142225354 RVUWCXPMFPPOPU-UHFFFAOYSA-N 414.513 4.091 0 1 HIAF COc1cnc2ccc([C@@](C)(F)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2c1 150078084 GSBJPJUWSGZNCL-JOCHJYFZSA-N 420.423 4.059 0 1 HIAF COc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(C)=O)ccc1OCc1ccccc1Cl 169729875 LZSOLPNUSPRBNW-WOJBJXKFSA-N 400.862 4.358 0 1 HIAF COc1ccc(-c2nc3cnccn3c2Nc2cc(OC)c(OC)c(OC)c2)cc1 473165359 BIKOLPSJCDBMEL-UHFFFAOYSA-N 406.442 4.174 0 1 HIAF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(O)cc3[nH]2)ccc1Cl 586963495 KOBJFKFNGOREFE-UHFFFAOYSA-N 413.890 4.053 0 1 HIAF Cc1ccc(-c2nnc(SCc3nc4cc5c(cc4[nH]3)OCCCO5)n2C)cc1 586965774 QLXAECXXHGLXRH-UHFFFAOYSA-N 407.499 4.120 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cnc(N)nc3-c3ccccc3Cl)nc2c1 587061685 XQLPCUAJDWRLRM-UHFFFAOYSA-N 414.252 4.363 0 1 HIAF CCOc1ccccc1[C@@](N)(c1nc2c(Cl)cnc(Cl)c2[nH]1)C(F)(F)F 587091131 BVLHUCUXWDFKID-OAHLLOKOSA-N 405.207 4.428 0 1 HIAF Cc1ccc(Cc2nc3cc(I)cnc3[nH]2)cc1C(F)(F)F 587095834 XEOOJEWXQVXBRY-UHFFFAOYSA-N 417.172 4.481 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587112106 KORIQANGHRKWNF-UHFFFAOYSA-N 420.416 4.047 0 1 HIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(Br)nc2[nH]1 587120503 MDXHDLJTCRZYMU-UHFFFAOYSA-N 400.080 4.148 0 1 HIAF FC(F)(F)Oc1ccc2c(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)n[nH]c2c1 587127570 XLMRFRKGEOHLQY-UHFFFAOYSA-N 422.676 4.467 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587327947 IPYRZKHDWUWSOJ-UGKGYDQZSA-N 409.800 4.391 0 1 HIAF CCOC(=O)C[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587534937 HEFFZHSTCSSSEM-DEOSSOPVSA-N 408.450 4.108 0 1 HIAF C[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592006 FVLNWPXYFYMWDQ-ZJSXRUAMSA-N 401.418 4.154 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598878 CBOADOOIERULHD-URXFXBBRSA-N 404.418 4.213 0 1 HIAF COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCCO2 587609504 NDWCYFMXSGSLSN-URXFXBBRSA-N 420.417 4.265 0 1 HIAF O=C(Nc1ccc2c(c1)OCO2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656807 PTJCBLZGTGUJLI-UHFFFAOYSA-N 421.359 4.151 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587792073 OFIMJQWNCPZOOP-LZVRBXCZSA-N 409.299 4.333 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCC(=O)O)N1 587794079 NUSSHECYQXACAY-WYRIXSBYSA-N 408.267 4.065 0 1 HIAF COCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587794656 PCASPUVDCIUUEP-YUNKPMOVSA-N 424.310 4.246 0 1 HIAF CC(C)c1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587799133 WLLWJRUMVPUWIU-PRWKNARSSA-N 403.295 4.442 0 1 HIAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COC(C)=O 587804630 CAXUEIGXNUEYKF-BIBXISHDSA-N 422.294 4.284 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc4c(cc32)OCCO4)N1 587835543 PKRXOVUVDAVPNV-BIBXISHDSA-N 404.279 4.083 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)co1 587866942 NDKSZDHOIOJSJB-UHFFFAOYSA-N 416.153 4.017 0 1 HIAF Fc1ccc(Cc2ccc(N3CCN(C[C@@H](F)COc4ccncc4)CC3)cc2)cc1 1857538572 WPARQLUMSPTMFB-HSZRJFAPSA-N 423.507 4.351 0 1 HIAF FC(F)(F)c1cnc(N2CCC(NC(=S)Nc3cccnc3)CC2)c(Cl)c1 1857587350 ANIYSNYWSXBCLV-UHFFFAOYSA-N 415.872 4.104 0 1 HIAF COc1c2ccoc2nc2c(OC)c(OCC=C(C)CC[C@@H](O)C(C)(C)O)ccc12 2356600570 PTGOUHPHIRZGKO-GOSISDBHSA-N 415.486 4.235 0 1 HIAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCCN(C)C 2356732181 CKUCLCVBSKPSGB-FKBYEOEOSA-N 408.627 4.098 0 1 HIAF COc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1OC1CCN(C(C)C)CC1 12593672 SYRAWTVTVSIOQF-UHFFFAOYSA-N 400.519 4.120 0 3 HIAF CC(C)Cc1cc(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1 15074119 NZSATHJSNPZPKH-UHFFFAOYSA-N 409.496 4.444 0 3 HIAF CC(=O)c1ccc(NC(=O)N[C@H]2CCCCN(Cc3cccc(Cl)c3)C2=O)cc1 199358771 HUTHBCNQXBLLSM-FQEVSTJZSA-N 413.905 4.245 0 3 HIAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@H](CO)Cc1ccccc1 775633 BJUZXGTXLZJPRG-SFHVURJKSA-N 422.525 4.371 0 1 HIAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 4049426 QDSHOAGOOITOGH-TZIWHRDSSA-N 417.912 4.029 0 1 HIAF COC(=O)C(=O)Nc1cc2c3c(c1)Oc1cccc4c1C3(C)c1c(cccc1O2)O4 5922603 VTOHTWFITOLBPS-UHFFFAOYSA-N 401.374 4.470 0 1 HIAF CCN1CCC[C@H](n2cc(S(=O)(=O)c3ccc(Cl)s3)c3cccnc32)C1 28862426 DAXDQRIJYKHPKB-ZDUSSCGKSA-N 409.964 4.241 0 1 HIAF C[C@H](Nc1ccc(C(N)=O)c2[nH]c3cc(-c4cnc(N)nc4)ccc3c12)C(C)(C)C 72125039 YJRBRBORNHEAET-LBPRGKRZSA-N 402.502 4.306 0 1 HIAF CCOc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1ccc(F)cc1F 72180661 DUAYYPAOKMCLBH-UHFFFAOYSA-N 424.403 4.420 0 1 HIAF CN1CCN(c2ccc(-c3ccc4nnc(-c5cccc(Cl)c5)n4c3)cc2)CC1 82082461 JBNKVZDSXQGWLJ-UHFFFAOYSA-N 403.917 4.469 0 1 HIAF COc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NCc2ccc(F)cc2)n1 82197875 GKLPUDYINPZNFG-IBGZPJMESA-N 411.502 4.243 0 1 HIAF COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)c1 100092488 UUDWUAYDSTVMFH-UBRQYEGLSA-N 417.484 4.473 0 1 HIAF O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccco2)[C@@H]1C(=O)c1cc2ccccc2o1 100277045 DYYZEJOLMRXKMN-FGZHOGPDSA-N 413.429 4.220 0 1 HIAF O=C(CC1CC1)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636819 IFYWFYWMVYDCNB-BGYRXZFFSA-N 411.590 4.094 0 1 HIAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1Cl)c1ccccc1O 103220846 DBNWTHKMWOXMEB-QGZVFWFLSA-N 418.741 4.291 0 1 HIAF c1cncc([C@H]2CCN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C2)c1 139790456 CYVNIVHHKZAVTN-FQEVSTJZSA-N 408.509 4.018 0 1 HIAF CCN(CC)CCCOc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1 169342764 VDJWQPUIGRSGSM-QHCPKHFHSA-N 412.574 4.244 0 1 HIAF O=C(O)C1(COc2ccc(-c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)cc2)CC1 205391411 OTKLAGXNTQQQMP-UHFFFAOYSA-N 403.360 4.401 0 1 HIAF CN(C(=O)[C@H]1CC[C@@H](c2ccccn2)NC1=O)c1ccc(Oc2ccccc2)cc1 207629035 WUOSFHWUMGUCJJ-UNMCSNQZSA-N 401.466 4.104 0 1 HIAF COc1ccc2[nH]nc(C(=O)NCC3CCN(CC[C@H]4CCC[C@@H](C)C4)CC3)c2c1 221875397 XOOYTHKXMQQQEA-QZTJIDSGSA-N 412.578 4.230 0 1 HIAF CC(C)=CC(=O)O[C@@H]1C=C[C@@](C)(C/C=C/C(C)(C)O)CC=C(CO)CC[C@@H]2O[C@]21C 253665865 ISSYTMWXBGIZDF-MOZNOFHLSA-N 418.574 4.404 0 1 HIAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Br)c(C)c3[nH]2)cc1 586940847 HWLAGYMYOAJMNB-MDZDMXLPSA-N 420.332 4.033 0 1 HIAF Cc1nc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc2cc1Br 587080170 NGVGKXVREPAXOH-CYBMUJFWSA-N 404.699 4.406 0 1 HIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587092988 CIDBHEYCUOUWPZ-YFKPBYRVSA-N 418.135 4.474 0 1 HIAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc2O1 587334932 NFXJQUUMONPPJV-GMAHTHKFSA-N 408.356 4.234 0 1 HIAF CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587346232 IFPVISOVZKAZSF-ZJSXRUAMSA-N 403.409 4.300 0 1 HIAF Cc1cc(C)c([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 587347231 ARRSHYMLOJJBSA-DHLKQENFSA-N 422.452 4.022 0 1 HIAF CCOC(=O)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379074 WZWLCNNZOZZOKD-DENIHFKCSA-N 412.438 4.410 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)nn1[C@@H]1CCCCO1)[C@@H](C2)C3=O 587422036 NFMDWWNZBRRMPX-UVIMBBFXSA-N 408.376 4.098 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cc(I)ccc1O)CC2=O 587473163 XVXAMADBUWSBER-KRWDZBQOSA-N 424.234 4.361 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(c1c[nH]c(C(=O)O)c1)CC2=O 587485367 RXHHCNCXEQHPPQ-XMMPIXPASA-N 421.449 4.289 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]nc(Nc4ccccc4)c31)CC2=O 587486591 RTBRLZPAHAUPIS-XMMPIXPASA-N 403.482 5.008 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(OC(F)(F)F)cccc12 587501087 ACWIPLNCKFPGSW-FQEVSTJZSA-N 403.356 4.277 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549260 RKDDLFBQLPUAEM-XXBNENTESA-N 424.836 4.466 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCN(C(=O)c1ccccc1)C2 587584357 XCJDUIJMLLEERA-PXDATVDWSA-N 415.445 4.029 0 1 HIAF COCOc1ccc(OC)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594521 OKNUJNKBXAXZLQ-NZQKXSOJSA-N 408.406 4.086 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597528 QUEACWFRPGUASR-XUZZJYLKSA-N 404.418 4.203 0 1 HIAF CC(=O)OC12CC3C[C@@H](C1)C1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](C3)C2 587600020 KCCYXDKDAGMNGF-ODXIQAKHSA-N 420.461 4.234 0 1 HIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(C)=O 587600736 POQPZERFSPJRAC-NZQKXSOJSA-N 406.390 4.029 0 1 HIAF CC(C)S(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587608796 SSVIUXHVEOOYPS-OFNKIYASSA-N 424.474 4.277 0 1 HIAF Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622312 JKORHLCUFVDSCX-UHFFFAOYSA-N 408.206 4.017 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(Cl)c3)n2)N1 587702299 PAVCTNKRJZTEIW-XTZNXHDOSA-N 421.701 4.446 0 1 HIAF COc1ccccc1N1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587767222 JFIGCMMULOVLNJ-XCLFUZPHSA-N 405.311 4.237 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C(=O)OC(C)(C)C)CC2)N1 587768849 MUJJPZVGUHMSTM-BUXKBTBVSA-N 411.315 4.472 0 1 HIAF CCOC(=O)COc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587798808 ZKWPMPVYQCNNAX-YUNKPMOVSA-N 422.294 4.154 0 1 HIAF O=C(NCCCCN1CCN(c2ccccc2F)CC1)c1ccc2ccccc2c1 653687096 NSHPEOLYLWLLHG-UHFFFAOYSA-N 405.517 4.311 0 1 HIAF CC(C)c1nn(C)c2c1[C@@](c1c[nH]c(C(=O)NC3CCCCCC3)c1)(C1CC1)NCC2 962923418 YXBAJFJJTMYIMM-VWLOTQADSA-N 423.605 4.124 0 1 HIAF CC1=C[C@H](CNC(=O)CCCC(=O)O)[C@@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 2356286997 VIAJGGZRGJWSJT-IPMKNSEASA-N 411.546 4.331 0 1 HIAF CCCCOC(=O)[C@@H]1C[C@](C)(O)C[C@@H]2[C@@H]1CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@]12C 2356610461 LNFYPZFRGUFQCL-JJUKPPQNSA-N 418.530 4.421 0 1 HIAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2ccco2)CC1 4142595 HNGOLBWFANUTTN-UHFFFAOYSA-N 413.905 4.425 0 3 HIAF CCc1nc2c(OCc3ccc(OC)cc3)cccn2c1N(C)C(=O)c1ccco1 61896011 WQECKNYJXDNOEZ-UHFFFAOYSA-N 405.454 4.354 0 3 HIAF C[C@@H](NC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21)c1ccccc1 6878118 JWPLAJSNWQDTRN-CQSZACIVSA-N 407.857 4.365 0 1 HIAF COc1cc2[nH]c(-c3ccc(C)c(N4CCOCC4)c3)cc(=O)c2cc1-c1cnco1 13487597 AUNFHSYUVDJGFE-UHFFFAOYSA-N 417.465 4.004 0 1 HIAF O=C(O)c1cnn(-c2ccccc2)c1-n1cccc1CNCCc1ccc(Cl)cc1 20413843 JOWAVKZUKNIXRE-UHFFFAOYSA-N 420.900 4.347 0 1 HIAF O=c1nc(-c2cccc(C(F)(F)F)c2)[nH]nc1C(O)(c1ccccc1)c1ccccc1 27553828 AVQWSKCFOZLYCL-UHFFFAOYSA-N 423.394 4.135 0 1 HIAF CCCc1nc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)sc1C(=O)O 29467426 XZFFBSDBQCWSIU-UHFFFAOYSA-N 420.498 4.253 0 1 HIAF COc1ccc([C@H]2/C=C/CN(C(=O)CC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 34961579 SFUWUQOIWQLLBM-NVIZVJJSSA-N 424.516 4.349 0 1 HIAF O=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Sc1ccccc1 38899445 URQJILNFIPQTRX-UHFFFAOYSA-N 412.525 4.211 0 1 HIAF CC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ncc(-c2ccccc2)[nH]1 45498121 CXDRCLYFWVVMMH-RTWAWAEBSA-N 410.562 4.115 0 1 HIAF C[S@](=O)c1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 71341881 WGIPWFWDEXLPAV-MUUNZHRXSA-N 406.592 4.288 0 1 HIAF O=C1Nc2ccc(N3CCNCC3)cc2OCc2cc(-c3ccc(Cl)cc3)oc21 73240416 ULONVLUMOUFCID-UHFFFAOYSA-N 409.873 4.154 0 1 HIAF O=C1OC2(CCC(CNc3ccn(-c4ccccc4F)n3)CC2)CN1c1ccccn1 84718205 SORUAQXDUCAYCF-UHFFFAOYSA-N 421.476 4.404 0 1 HIAF CCC[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 95556443 VUTCGKUHSNNPKV-GVMKUJSRSA-N 406.526 4.434 0 1 HIAF COc1cccc(OC)c1-c1cnnc(NCc2nc3ccc(Cl)cc3s2)n1 95583380 TYVVOXZNEWVWKR-UHFFFAOYSA-N 413.890 4.431 0 1 HIAF CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)c(CN)c1 95597296 AMOCXPPYGISLEJ-UHFFFAOYSA-N 401.514 4.452 0 1 HIAF COc1ccccc1NC(=S)Nn1ccnc1-c1ccc(Br)cc1 98083867 TYPPHJDXTIEUPO-UHFFFAOYSA-N 403.305 4.262 0 1 HIAF Nc1c(Cl)cc(C(=O)N(C2CC2)[C@H]2CC[C@@H](C(=O)N3CCCC3)CC2)cc1Cl 101074315 AEMKILACVICPQY-CTYIDZIISA-N 424.372 4.361 0 1 HIAF COc1ccc(C(=O)OCCCc2cn(-c3ccnc4cc(Cl)ccc34)nn2)cc1 103269370 TWXZRTXNDUTEPK-UHFFFAOYSA-N 422.872 4.267 0 1 HIAF O=C(O)CCCn1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144880540 DXRFOBYFYFQEHW-HXUWFJFHSA-N 420.362 4.333 0 1 HIAF COC(=O)[C@H](N)C[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2C(C)(C)CCNC(=O)CCC(C)C 253660895 UASYBMLHVWZBST-NTOJSVKISA-N 408.627 4.288 0 1 HIAF COc1cccc(OC)c1[C@@H]1[C@H]2C[C@H]2C(=O)N1Cc1ccc(OC(F)(F)F)cc1 261177018 VCMQBVOUDONKQG-KHYOSLBOSA-N 407.388 4.322 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 586949954 JBLBFHCXRZNQGN-UHFFFAOYSA-N 421.478 4.110 0 1 HIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(F)c(Br)ccc2[nH]1 587037925 AIWNNIMRDORZBM-UHFFFAOYSA-N 414.260 4.330 0 1 HIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2N1 587124771 CHYGEEPONDOCAV-QTTZVWFDSA-N 401.295 4.055 0 1 HIAF NCc1cccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 587245990 AVCWHFWUNTXQGE-UHFFFAOYSA-N 412.902 4.143 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1CCN4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587441506 GCYGHBHTDCWYPH-JTSKRJEESA-N 407.466 4.482 0 1 HIAF C[C@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547292 QECARJRZZUOOHR-YLJYHZDGSA-N 412.239 4.427 0 1 HIAF CN(C)CCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587572441 PMFDMTQQXIBCTD-DHLKQENFSA-N 419.477 4.426 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(O)cc1 587594082 KERLSPUDYPHRIY-AUSIDOKSSA-N 400.390 4.191 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccc(F)cc2)N1 587732872 KQTUTWJBAYABBI-AOOQMHFFSA-N 408.242 4.146 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2cccc(N)c2)N1 587746648 NGOQGIPAKZPQQG-YEJXKQKISA-N 412.306 4.392 0 1 HIAF COc1cccc(/C=C/[C@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587805056 DAHIJQOHWIHZKG-JWUJALBPSA-N 420.278 4.124 0 1 HIAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(Cl)c1 653873016 WQIBOENUDRIZRW-UHFFFAOYSA-N 421.280 4.221 0 1 HIAF Cc1c2c(cc3c1N(C)C(=O)C3=O)-c1ccccc1O[C@@H]2CC(=O)Nc1ccccc1 1772620809 AAIDELZHTBZXGA-HXUWFJFHSA-N 412.445 4.283 0 1 HIAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O 200050827 GBONJOXLMBXQOV-IBGZPJMESA-N 404.432 4.325 0 3 HIAF CCC[C@@]12Cc3c(OC)ccc(OC)c3C[C@@H](Cc3c(OC)ccc(OC)c31)C2=O 1616122 BQKDLEQJNGWSHS-ODCWNRFASA-N 410.510 4.299 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc(C(=O)CCCCCO)nn2C2CCCCC2)cc1 13560528 DOUBXDYDADXJHU-UHFFFAOYSA-N 418.559 4.194 0 1 HIAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3cccnc3)nc21 13780917 XHGSDPKRXJOFGF-UHFFFAOYSA-N 412.280 4.309 0 1 HIAF CN(CCCc1ccco1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 20581289 WSQVGQQPMKKLNE-UHFFFAOYSA-N 420.434 4.268 0 1 HIAF CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)c2ncn(C(C)C)c2n1 26473250 XSUZXBYYYXYHTA-HNNXBMFYSA-N 406.893 4.372 0 1 HIAF Nc1cccc(-c2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2)n1 26575573 BTEINZDTJWUOFJ-UHFFFAOYSA-N 409.537 4.244 0 1 HIAF COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 28527847 FXGMGZCEXPQSDF-UHFFFAOYSA-N 413.493 4.146 0 1 HIAF CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 45319965 AIHPHWKEGLUENQ-FQEVSTJZSA-N 413.543 4.027 0 1 HIAF COc1cccc(CCNc2nc(NCC(C)C)c3cc(OC)c(OC)cc3n2)c1 82127985 YPHBBSFVSPCLCN-UHFFFAOYSA-N 410.518 4.378 0 1 HIAF COc1ccc(C)c2sc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)nc12 84689723 ZWFARCPRJNDWHQ-UHFFFAOYSA-N 402.419 4.433 0 1 HIAF CC(C)C[C@H]1CN(C(=O)/C=C/c2ccc(Br)cc2)[C@@H](CC(C)C)C(=O)N1 103267087 QIWDFYQNDKVFKI-RJHNKFTKSA-N 421.379 4.250 0 1 HIAF CCC/N=c1\c(NS(=O)(=O)c2ccc(CC(C)C)cc2)c(O)oc2ccccc12 103537757 ZRGWFZXWSDGXOS-ATJXCDBQSA-N 414.527 4.448 0 1 HIAF CCc1ncc(Cc2ccc3cccc(NC(N)=O)c3n2)c2cc(OC)c(OC)cc12 145119717 GKNROQPLQYDIMM-UHFFFAOYSA-N 416.481 4.444 0 1 HIAF CCCOc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)ccn1 169709805 IVOKZTDATMARME-HTAPYJJXSA-N 409.530 4.115 0 1 HIAF Cc1c(N[S@@](=O)c2ccc(Br)cc2)c(Cc2ccccc2)nn1C 199935671 NJHUFKWAEGXZGO-DEOSSOPVSA-N 404.333 4.217 0 1 HIAF C[C@@H](c1ccc(O)cc1)[C@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253636264 XAKUZHBVDGUKLO-UVJIGAQCSA-N 400.515 4.408 0 1 HIAF O=C1C=C(Br)C(=C(Br)Br)N1Cc1ccccc1 473161110 ZUSWCOKUWOEGHN-UHFFFAOYSA-N 421.914 4.267 0 1 HIAF COc1cc(OC)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2c1 587000393 JQMBCHXHROKOAU-AWEZNQCLSA-N 415.291 4.066 0 1 HIAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587256083 YEIRNYYVGXDLTR-CQSZACIVSA-N 408.527 4.441 0 1 HIAF COc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](c1ccccc1)O2 587407101 AHICKJZHVZNAIL-RPBOFIJWSA-N 415.445 4.306 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccc(Br)s1)O2 587409782 JNWFSYDJBVUNAY-HPFMTEOYSA-N 407.333 4.337 0 1 HIAF CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc(C(F)(F)F)c21 587502497 ABHATXVHKNDJKH-OAQYLSRUSA-N 401.384 4.421 0 1 HIAF C[C@@]1(c2ccc(Br)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543059 HGVSMQVNBXTMNU-PXNSSMCTSA-N 412.239 4.427 0 1 HIAF O=C(O)c1cccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587586552 CQXMSXYKOYIUCR-KNQAVFIVSA-N 401.374 4.275 0 1 HIAF CC[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596695 QYUVVNVCDHLOBL-URXFXBBRSA-N 420.417 4.123 0 1 HIAF COc1cccc(C(=O)c2c(C(F)(F)Cl)[nH]c3ccc(S(C)(=O)=O)cc23)c1 587649222 MJRUHIPBRIGANB-UHFFFAOYSA-N 413.829 4.099 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](CC(=O)O)c3ccccc32)N1 587825454 DKOSLLPQRRTHQF-RZZGRXHGSA-N 404.279 4.328 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(F)cc1F 587867970 FNHGYABWVZYQMP-UHFFFAOYSA-N 414.359 4.496 0 1 HIAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cnc2ccccc2c1 653849314 VYECARJSDZCAQH-BQVXCWBNSA-N 415.537 4.493 0 1 HIAF CC(C)(C)C[C@@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636157 PFLMNARBUQEVRP-VLIAUNLRSA-N 408.420 4.259 0 1 HIAF Cc1nn(Cc2ccc(-c3nc4cc(F)cc(F)c4[nH]3)cc2F)c(C)c1CC(=O)O 1772610309 QERIYHXDJUVSMT-UHFFFAOYSA-N 414.387 4.136 0 1 HIAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC 4296343 GSWSEPRDKHHWIK-FPOVZHCZSA-N 416.905 4.365 0 1 HIAF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1cccc(Cl)c1 13473891 DUKPLGVLCQMBIL-FQEVSTJZSA-N 417.937 4.209 0 1 HIAF COc1cccc(-c2csc(CCN3CCN(c4ccccc4OC)CC3)n2)c1 13782144 SMQPEHDUZWMGGB-UHFFFAOYSA-N 409.555 4.192 0 1 HIAF O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959218 HJULFTQEKBTIGR-RBBKRZOGSA-N 418.884 4.113 0 1 HIAF CCCc1c(OCCC[C@H](C)Oc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28386630 JTBAAXDGWHRIAA-HNNXBMFYSA-N 424.501 4.354 0 1 HIAF CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2cccc(O)c2)n1 28524478 MGRUIQYDHGZBNA-UHFFFAOYSA-N 423.400 4.196 0 1 HIAF CCCCCNC(=O)[C@@H]1CS[C@H](c2ccoc2)N1C(=O)c1ccccc1Cl 35196089 HSAHFEDCEHNNCY-FXAWDEMLSA-N 406.935 4.496 0 1 HIAF C/C(=C\CC/C(=C/C[C@@H]1OC(=O)C=C1CO)CO)CC[C@H]1C(C)(C)CCC[C@@]1(C)O 40943476 BYAXMGMKQCMKDN-RHUSPOEISA-N 420.590 4.223 0 1 HIAF CCCCCc1nc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccco2)oc1C 82165737 IXEGJAXVNXOXLP-UHFFFAOYSA-N 423.517 4.101 0 1 HIAF CC[C@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1c1ccccc1 96272662 ZJJBLPXVAOPPAR-IBGZPJMESA-N 410.481 4.222 0 1 HIAF Cc1cnc(C)c(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 116827082 DKVIZUUTLAGTIC-QZTJIDSGSA-N 404.539 4.030 0 1 HIAF Cn1c(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc2cc(Cl)ccc21 117582115 WNERHCBINRAGJF-UHFFFAOYSA-N 412.921 4.343 0 1 HIAF Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2OC(F)(F)F)C1 143647443 OBVPEWXALAKGHS-CZUORRHYSA-N 419.403 4.232 0 1 HIAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(S(=O)(=O)O)c2)c1 145465657 AJUPERZFUKNNAW-UHFFFAOYSA-N 409.389 4.461 0 1 HIAF Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(NC4CCNCC4)n3)c2c1 150006962 IXGVTTDCWVKAIV-UHFFFAOYSA-N 406.440 4.129 0 1 HIAF O=C(NCCCCC1CCN(C(=O)c2ccccc2)CC1)N1Cc2ccccc2C1 166398816 NFMSRZCNWDFQCK-UHFFFAOYSA-N 405.542 4.435 0 1 HIAF CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)[C@@H](C)F)cc3)C2)ccn1 169709410 KTXAIHNWJXPDOK-WWMYMODYSA-N 415.509 4.062 0 1 HIAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@@]4(C)[C@@H]3CC[C@]21C 169713512 SLZJMEMEWDUTRZ-LXUYYHBKSA-N 403.611 4.127 0 1 HIAF CC1(CN2CCOc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3C2=O)COC1 206184315 KFTQGSDTZSEADY-UHFFFAOYSA-N 407.388 4.123 0 1 HIAF C[C@H]([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)[C@H]1C[C@H]1C(=O)O 299848567 SPBCVLSZAPVLJN-DUQWOETFSA-N 404.591 4.334 0 1 HIAF Cc1cccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)c1 299855263 AVIBDSHVTBXTQH-ISKFKSNPSA-N 417.534 4.170 0 1 HIAF Fc1cc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2cc1-n1cccn1 587030092 XEZZHJAAXQNVKP-UHFFFAOYSA-N 415.457 4.409 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Br)ncc2[nH]1 587043570 RZBZTCUHEBLXLB-GFCCVEGCSA-N 409.696 4.029 0 1 HIAF Cc1onc(-c2nc3c(S)nc(S)nc3[nH]2)c1COc1ccccc1Cl 587063204 IAQZNIXVNFVYEG-UHFFFAOYSA-N 405.892 4.126 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(OC)cc3F)nc2c1 587148804 KYVLZBOSFVCKQV-UHFFFAOYSA-N 407.239 4.241 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc(O[C@@H](C(=O)O)c4ccccc4)c1)[C@@H](C2)C3=O 587439177 KFPGJVABZSFRGF-WDJPJFJCSA-N 416.429 4.389 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@H]1c1cc3c(O)nc(O)nc3nc1C2 587561884 XSOLNHBMMMFIMO-BAFWQASGSA-N 409.530 4.069 0 1 HIAF COc1ccc([C@@]2(CCN(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587574295 WVOIETDBBNYXFS-RCZVLFRGSA-N 419.477 4.210 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)n2)N1 587686716 XMHICHGMNJDEBM-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOC3=O)cc2)N1 587769113 WYCZNNQSJJEWMK-MPBGBICISA-N 419.294 4.343 0 1 HIAF CC(=O)N1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1 587771737 XHNLNDBQOWMIIY-ASSNKEHSSA-N 417.322 4.118 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587789901 DUASOJMGFAEGAY-SYTFOFBDSA-N 422.294 4.152 0 1 HIAF O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC[C@@H]1c1cccnc1 621477608 DIJCXNDLZXQIOE-LJQANCHMSA-N 418.463 4.466 0 1 HIAF CCOC(=O)[C@@H](CC)[C@@]1(c2ccccc2)NCCc2cc3cccc(OC)c3nc21 963061836 VRKJFZFBAMPBDM-CJFMBICVSA-N 404.510 4.222 0 1 HIAF Oc1ccc2c(c1)[C@@](c1ccc(F)cc1)(c1ccc(CN3CC=CC3)cc1)NCC2 963352971 OCPXDNPBVCZYQJ-SANMLTNESA-N 400.497 4.341 0 1 HIAF [C-]#[N+]c1ccc(C(=O)Nc2ccc(F)c([C@]3(C)C[C@@H](C(F)(F)F)OC(=N)N3)c2)nc1 1772577602 MQGTZQMQZZRLLU-YJBOKZPZSA-N 421.354 4.115 0 1 HIAF COc1cccc(-c2cc(NC(C)=O)nc(-c3cccc(OC)c3OC)c2)c1OC 1772585076 VONDKCCTQLLMFX-UHFFFAOYSA-N 408.454 4.408 0 1 HIAF Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(Cc2c[nH]c3ccccc23)cc1 1857609133 PIUSRSBAZRGXAI-UHFFFAOYSA-N 404.491 4.186 0 1 HIAF CC(C)=CCc1c2c(c3oc(-c4ccc(O)cc4)cc(=O)c3c1O)C[C@H](C(C)(C)O)O2 2356516349 VISBMXINDVOGOS-HXUWFJFHSA-N 422.477 4.454 0 1 HIAF COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 12480176 UCQUTBUABWLDIO-MAUKXSAKSA-N 406.438 4.099 0 3 HIAF Cc1ccc2c(=O)n3c(nc2c1)[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1-3 61949300 KOQWHZZAOXCDBO-HXUWFJFHSA-N 415.880 4.375 0 3 HIAF O=C(N[C@H]1CCCCN(Cc2ccc(OC(F)(F)F)cc2)C1=O)c1cccc(F)c1 199410434 TZRFUIXFPNUMFR-SFHVURJKSA-N 424.394 4.035 0 3 HIAF Clc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1 13674826 PCCIOJLFBPKJRF-UHFFFAOYSA-N 411.933 4.347 0 1 HIAF CC1(C)c2c(-c3noc(C4CC4)n3)ncn2-c2ccccc2N1C(=O)N1CCCC1 13745327 PHZJJZUJIBLMKT-UHFFFAOYSA-N 404.474 4.071 0 1 HIAF CN1CCN(CCc2ccc(C3=CC[C@H]4CN(Cc5ccccc5)C[C@@H]34)cc2)CC1 36289124 WTJMJPZPMMIOOV-AHKZPQOWSA-N 401.598 4.012 0 1 HIAF CN(CC1CC1)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1 36520595 ZCJCWQIZAYPVNC-NHCUHLMSSA-N 413.949 4.282 0 1 HIAF O=C1CCCCN1C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 43064098 LUSFVKKEBIMJTI-UHFFFAOYSA-N 406.505 4.205 0 1 HIAF CCOc1ccc2c(C)c(CN3CCN(C(=O)Nc4cccnc4)CC3)sc2c1 43078168 NJYYBMQJKYXOMU-UHFFFAOYSA-N 410.543 4.353 0 1 HIAF Cc1ccc(-c2cnccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1 43201231 FXCKYYUAELZRMB-QZTJIDSGSA-N 420.488 4.306 0 1 HIAF COc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc(OC)c1OC 71282337 FPHZMPVWFHHDKD-SFHVURJKSA-N 414.454 4.339 0 1 HIAF CC(C)c1cccc(Nc2nnc([C@H](O)c3ccccc3CN3CCOCC3)s2)c1 82084078 UKCLAXNAVQBUEY-OAQYLSRUSA-N 424.570 4.319 0 1 HIAF CC(C)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CC[C@H]1CCCN1C 82179688 QHRSSGFNWOGJIZ-LJQANCHMSA-N 410.541 4.228 0 1 HIAF Cc1nnc(C)n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 101059360 COFPFOGNGPMBQW-AKFKNWHVSA-N 421.589 4.111 0 1 HIAF O=C(Nc1ccc(-c2nc(N3C[C@H]4CC[C@H](C3)O4)c3sccc3n2)cc1)NC1CC1 101306819 HBZPGFLLAMADHT-IAGOWNOFSA-N 421.526 4.010 0 1 HIAF COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)c(OC)c1OC 104003362 QYCHWKGENZAQBV-LJQANCHMSA-N 415.486 4.472 0 1 HIAF O=S(=O)(Cc1ccccc1)N1C=Cc2ccccc2[C@H]1c1c[nH]c2ncccc12 165817334 SCOVXOABCOAHIN-QFIPXVFZSA-N 401.491 4.469 0 1 HIAF [C-]#[N+]c1ccc(C(=O)Nc2cccc([C@@]3(C(F)(F)F)CCSC(N)=N3)c2)nc1 169700703 KXLMJYJOQPBSOB-QGZVFWFLSA-N 405.405 4.094 0 1 HIAF COc1ccc2c(c1O)-c1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]2N2CCCC[C@@H]2C1 238732174 USNBCAPIYYPNGO-UWVAXJGDSA-N 423.509 4.321 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 586917238 RQRHHMIGQMDDMJ-HXPMCKFVSA-N 401.260 4.247 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 586957784 FCKSHBSCHSSWJY-VHSSKADRSA-N 416.934 4.306 0 1 HIAF COc1cc(Br)c([C@H](N)c2nc3ccc(SC)cc3[nH]2)cc1OC 586974467 DDFVXQKZESIJFT-INIZCTEOSA-N 408.321 4.113 0 1 HIAF CCOc1cc2oc(=O)c(-c3nc4nc(C)ccc4[nH]3)cc2cc1Br 587001095 VZHFVXUBNMUSGW-UHFFFAOYSA-N 400.232 4.201 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3cc(Cl)cnc3[nH]2)[C@H]1c1ccccc1Cl 587062094 SLCASZYWCZXLJO-KBXCAEBGSA-N 419.312 4.358 0 1 HIAF COc1ccc(-c2nc3ncccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587394721 ZKHBBJNJXKALEJ-LJQANCHMSA-N 400.438 4.002 0 1 HIAF COc1ccc(Cn2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)nn2)cc1 587517507 OSXAYQBECSXSOH-DEOSSOPVSA-N 403.482 4.094 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)C1CCNCC1 587572342 SBQMVPYOOWFONO-WIOPSUGQSA-N 419.452 4.388 0 1 HIAF CC(C)(C)OC(=O)N[C@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582288 ZLVNPUJTRUCIKK-FPULEUEGSA-N 411.454 4.170 0 1 HIAF O=C(Cc1noc2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655610 AXPZDBQIZDDXKX-UHFFFAOYSA-N 417.371 4.366 0 1 HIAF COc1ccccc1-n1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587760726 QDRVTPCQZSKVAE-ODXCJYRJSA-N 416.294 4.406 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cnccn3)s2)N1 587856773 XYZXOXYCMABJDS-XXFAHNHDSA-N 405.296 4.125 0 1 HIAF Cc1nc(C)c(C(=O)OC[C@H]2CCCO2)c(-c2ccccc2C(F)(F)F)c1C(=O)O 653792000 WQYBLFZBBYDHNL-CYBMUJFWSA-N 423.387 4.418 0 1 HIAF CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(Br)cc3[C@@]23N=C(C)C(N)=N3)C[C@H]1C 1772599268 WHIOHQNSMXUMLN-IXTDWUEHSA-N 404.352 4.057 0 1 HIAF O=C(CCCCCCCCCc1ccccc1)OC[C@@H]1C[C@](F)(C(=O)O)C(=O)O1 1911580076 DMWNYPUSCCFIQD-AVRDEDQJSA-N 408.466 4.002 0 1 HIAF CC(=CCOC(=O)CC(=O)O)CC[C@@]1(C)[C@@H]2CCC=C3C(=O)OC[C@]32CC[C@H]1C 2356448632 KCSXWFRRJNDLTQ-XRGWJIAJSA-N 404.503 4.047 0 1 HIAF COc1ccc([C@@H](C)NC(=O)C2CCN(CCCc3ccccc3)CC2)cc1OC 61928512 XTFPAGYSOIQZBE-LJQANCHMSA-N 410.558 4.226 0 3 HIAF O=C(NCc1ccccc1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 8594253 WDDFTDNEXIXIMN-UHFFFAOYSA-N 404.495 4.156 0 1 HIAF O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc(Cl)cc1 13494027 ADQRRYKWKYEEDF-UHFFFAOYSA-N 403.891 4.027 0 1 HIAF COc1cc(N[C@@H](C)CCCNC(=O)NCCc2ccccc2)c2ncccc2c1 45498458 FNWHYNXAOZESHK-SFHVURJKSA-N 406.530 4.366 0 1 HIAF NC(CO)(CO)CCc1ccc(-c2ccc(Sc3ccc(F)cc3)cc2F)cc1 49112783 GEQHJYMHZMQQPN-UHFFFAOYSA-N 415.505 4.398 0 1 HIAF O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCN1CCC[C@@H]2CCCC[C@H]21 58575930 WHNWGLBSXQAFNX-AZUAARDMSA-N 420.561 4.298 0 1 HIAF CC(C)N(c1ccccc1N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1 58591217 ZIDUFCMUGIDNLQ-UHFFFAOYSA-N 423.582 4.195 0 1 HIAF CC[C@H](CO)Nc1nc(-c2cccc(C(F)(F)F)c2)nc2c(-c3ccco3)cnn12 71404575 VTDZZWFVXPKONJ-CQSZACIVSA-N 417.391 4.253 0 1 HIAF biogenic CC(C)Cn1cc(C(=O)O)c(=O)c2c(O)c(Cc3cccc(Cl)c3F)ccc21 72108783 RUJWUBORAMGJRM-UHFFFAOYSA-N 403.837 4.445 0 1 HIAF Cc1cccc(OCc2cc(=O)n3c(c2-c2ccccc2)SC[C@H]3C(=O)O)c1C 84652049 RFYNLGAVBHCUAC-SFHVURJKSA-N 407.491 4.443 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3cscn3)cnc2C1 95566088 RBYLYGXTEZQLIE-UHFFFAOYSA-N 412.824 4.335 0 1 HIAF CN(C)Cc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 96928691 JCHYGQXSSPJWTH-UHFFFAOYSA-N 407.301 4.051 0 1 HIAF COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccc4c(c3)OCO4)cc2)cc1 100101692 IUBHCMYHZUDKQR-QXSURTEESA-N 414.505 4.031 0 1 HIAF Cc1ccc(N2C[C@H]3[C@H](NC(=O)[C@@](O)(c4ccccc4)C4CCCCC4)[C@H]3C2)cc1 101453848 RRPNHEZEDXDNBE-DDRRAVBJSA-N 404.554 4.014 0 1 HIAF Cn1c(=O)c([S@@](=O)c2cc(Cl)c(Cl)cc2Cl)c(O)c2ccccc21 104702110 UNUDHEXVLNGDJK-XMMPIXPASA-N 402.686 4.371 0 1 HIAF CC(C)(C)CNC(=O)C[C@@H]1CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)cn21 169325474 XVRSZUZIZXSHAX-MRXNPFEDSA-N 407.436 4.011 0 1 HIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 587147223 HBYXXQLMGTWAFV-UHFFFAOYSA-N 414.725 4.371 0 1 HIAF Nc1ccnc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc12 587161476 RPDNXRLBILRJPK-UHFFFAOYSA-N 400.211 4.296 0 1 HIAF Cc1c(I)cnn1[C@H](C)c1nc2ccc3c(c2[nH]1)CCCC3 587183426 YCWRNWSPLDTVSE-LLVKDONJSA-N 406.271 4.161 0 1 HIAF Cc1cc(F)cc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330263 DOGNAESXKLPMJB-XXBNENTESA-N 407.372 4.185 0 1 HIAF Nc1ccc(N)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511675 RGAMRXWBYSIDNY-SANMLTNESA-N 410.473 4.183 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550873 CJVKKZNPJYPEOT-VGSWGCGISA-N 407.809 4.163 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Br)c2)N1 587677444 AJKCSYMKICOOST-ANRSDYALSA-N 400.089 4.369 0 1 HIAF CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587778865 OLAKAQSEUFSCNM-OPURJYLOSA-N 421.310 4.080 0 1 HIAF Cc1[nH]c2ccccc2c1[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587804517 RMOFANZFBXYPBS-CFMSYZGJSA-N 417.278 4.240 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc3c(c2)CCCC3)N1 587829216 RBPFDGMYUVONAF-LAJNKCICSA-N 418.306 4.329 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSCC(=O)Nc1ccccc1 587872999 SPFSUCWNMOZGFY-UHFFFAOYSA-N 413.474 4.100 0 1 HIAF COc1ccc(-c2cc(C(=O)N[C@H](CCc3ccccc3)C(=O)O)c(C)o2)cc1OC 621429400 XQLKJPCZHPANPO-LJQANCHMSA-N 423.465 4.088 0 1 HIAF CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)c2nn(C)cc2CCN1C 963955129 NSSMWACEYVXZEE-MRXNPFEDSA-N 402.258 4.343 0 1 HIAF C[C@H](NC(=O)NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 1772621910 APTPILZYBXXSLI-HNNXBMFYSA-N 421.451 4.318 0 1 HIAF COCCCNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772628165 LKDGCRSPMVCCSI-UHFFFAOYSA-N 405.376 4.207 0 1 HIAF C[C@@H](NC(=O)c1ccc2c(O)nc(CCCCC(=O)O)cc2c1)c1ccc(F)cc1 1857640444 MMCQWHSTXMUFRA-CQSZACIVSA-N 410.445 4.368 0 1 HIAF CC(=O)c1ccc(OCc2cc(C(=O)N3CCCC[C@H]3c3cccnc3)no2)cc1 12303876 UMNBRAQOKYTKGO-QFIPXVFZSA-N 405.454 4.219 0 3 HIAF Cc1cc(C)c2c(n1)N(C)C(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 576775 ZEPIWWFWHKVLGW-UHFFFAOYSA-N 410.481 4.228 0 1 HIAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 768018 OGDOVIGXOQRDQR-SJBKTWHCSA-N 414.933 4.442 0 1 HIAF CN1[C@H]2CCC(C)(C)[C@@H]1C[C@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 3874170 AMHPTVWBZSYFSS-XHSDSOJGSA-N 405.585 4.240 0 1 HIAF in-man CCCC[C@@H]1[C@H](C(=O)O)[C@H]1[C@@](N)(CC1c2ccccc2Oc2ccccc21)C(=O)O 4394182 SNDLXDNVZFYFQU-ZWBFNDLWSA-N 409.482 4.233 0 1 HIAF C[C@H]1CCC[C@H](NC(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCC4)[C@@H]1C 4905949 KSYVWDIXLPTTJI-IYOUNJFTSA-N 412.555 4.455 0 1 HIAF Cc1cccc(NC(=O)Nc2ccc(-c3c(CCO)sc4ncnc(N)c34)cc2)c1 13673670 XLDWKHLQBFECEA-UHFFFAOYSA-N 419.510 4.428 0 1 HIAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1ccc(N)cc1 13739975 LIIDBNSZSIVLLR-FQEVSTJZSA-N 406.357 4.414 0 1 HIAF CC(C)CC(=O)O[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 27981366 ACBUMLHZTSHRKJ-SYJHXPDWSA-N 404.547 4.196 0 1 HIAF O[C@@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)Cc1ccccc1 29056603 YKFRXVGLZNKBAS-NXCFDTQHSA-N 400.566 4.132 0 1 HIAF in-vivo COc1ccc(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)cc1 38938833 YSKYEMSHWBQECG-ISPXXFMDSA-N 406.434 4.140 0 1 HIAF O=C(CN1CCC2(CCCCC2)C1)NCCNc1ccnc2cc(Cl)ccc12 40861288 BVXVOVKWWBTLDL-UHFFFAOYSA-N 400.954 4.073 0 1 HIAF CCn1c(=O)n([C@H]2CCCN(c3ccnc(-c4ccccc4F)n3)C2)c2ccccc21 71329212 JAORYJZSKWHLAL-KRWDZBQOSA-N 417.488 4.261 0 1 HIAF CC(=O)O[C@@H](C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 72113078 MTODOXQNCGXXDF-CQSZACIVSA-N 404.846 4.181 0 1 HIAF O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 95797479 PCECKKZHYFZSKH-GOTSBHOMSA-N 424.972 4.072 0 1 HIAF S=c1oc(-c2ccc3c(c2)OCCO3)nn1CNc1ccc(Br)cc1 96935199 QXDZYHFJNXUXFL-UHFFFAOYSA-N 420.288 4.476 0 1 HIAF COc1ccc(C(F)(F)F)c[n+]1CCCCC[n+]1cc(C(F)(F)F)ccc1OC 96938837 MOURGXWVZXOIJE-UHFFFAOYSA-N 424.385 4.187 0 1 HIAF CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2ccco2)C1 104551634 PVBZQROJRCDVBX-IPRDPGLQSA-N 416.562 4.107 0 1 HIAF Cc1nnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)o1 139566833 DLZNSYXMMJOVHB-UHFFFAOYSA-N 416.363 4.044 0 1 HIAF O=C(OCCF)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@@H]1N2CCCF 169347040 XXLBWUCJODELRH-MHORFTMASA-N 416.306 4.258 0 1 HIAF CC1(C)c2[nH]c3cc(Cl)c(Cl)cc3c2C[C@@]23CN4CCC[C@@]4(C[C@H]12)C(=O)N3 195345602 GZGGCZADGIBRHT-MAODMQOUSA-N 404.341 4.032 0 1 HIAF CC(C)(C)N1C[C@@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O 209404136 JASFTBXZDINFFH-JOCHJYFZSA-N 407.558 4.013 0 1 HIAF O=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2cccc3c2OCCO3)nc1 261190191 YWAJIVCDHTYETF-UHFFFAOYSA-N 424.453 4.219 0 1 HIAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)cc(C)c3[nH]2)cc1 586940760 FMBIOBCPCBALPP-BQYQJAHWSA-N 420.332 4.033 0 1 HIAF Cc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1F 586946919 VUAQPHNAROILBC-UHFFFAOYSA-N 407.517 4.279 0 1 HIAF Cc1c(-c2nc3cc(Br)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029228 KHPTYTAVGNMDJL-UHFFFAOYSA-N 401.289 4.475 0 1 HIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(I)cc3[nH]2)cn1 587247899 XBROLEINFMEATB-UHFFFAOYSA-N 420.254 4.214 0 1 HIAF Cc1c([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1C 587326466 CAMBBQJGLYYVCH-NQIIRXRSSA-N 402.372 4.093 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cl)c3ccccc32)[C@@H]1c1ccc(F)cc1 587329544 LMKUJZVJRKGTJK-DENIHFKCSA-N 409.800 4.286 0 1 HIAF CN(C)CC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341516 XXMAOPQLOFYNQC-NOZRDPDXSA-N 421.468 4.443 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c3ccccc3c1I)O2 587385458 DBQLCTRYIIHFPT-OAHLLOKOSA-N 418.234 4.370 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587422839 VCYHVOLLRGJTHC-VBKZILBWSA-N 405.372 4.249 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3cccc(Cl)c3)c(CC3OCCCO3)c2c1 587650251 ZZVFKDYWMVOVGU-UHFFFAOYSA-N 405.903 4.197 0 1 HIAF Cc1ccc([C@@]2(c3ncc[nH]3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587790122 HFSORIDEHFEUSB-ZUOKHONESA-N 400.295 4.446 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587801692 HUENJETZECNSSU-HOGDKLEQSA-N 407.283 4.037 0 1 HIAF COc1ccccc1[C@@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587809482 UAGGDCCNCBRXKL-MPBGBICISA-N 406.295 4.354 0 1 HIAF CC(C)N1CCc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)sc2C1 587856918 JQVNTYGVMYTCGV-ADLMAVQZSA-N 424.383 4.435 0 1 HIAF COc1ccc(CCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867708 NAUWUFFVKSBFDI-UHFFFAOYSA-N 405.376 4.254 0 1 HIAF COc1ccc2[nH]c(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)cc2c1 587869738 NNIDJWXSFOWJCB-UHFFFAOYSA-N 416.359 4.151 0 1 HIAF CO[C@@H](C)COC1CCC(c2nc3cccc(I)c3[nH]2)CC1 587950644 BTQYBBIIKBVACP-HIFPTAJRSA-N 414.287 4.245 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3cn(C)cn3)nc(Cl)c2C)s1 653805834 RRRWGGNSFDQDHO-UONOGXRCSA-N 418.954 4.040 0 1 HIAF C[C@]1(CCc2ccc(F)cc2F)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962622070 APZSDZYJSMKMAM-DNVCBOLYSA-N 415.358 4.310 0 1 HIAF C[C@]1(c2ccc(S(C)(=O)=O)c(F)c2)c2ccsc2CCN1Cc1cccnc1 962996159 HGVUDOXSDMRFOH-NRFANRHFSA-N 416.543 4.008 0 1 HIAF CCCC[S@](=O)c1sc2nc(-c3nccn3C)nc(-c3ccccc3)c2c1N 1772637455 XKJMKGRXKLBTEK-NDEPHWFRSA-N 411.556 4.249 0 1 HIAF CCCCOc1cccc(OC2CN(c3nc4ccc([C@@H](C)NC(C)=O)cc4o3)C2)c1 1772645045 YRZHAKYSYKYBAU-MRXNPFEDSA-N 423.513 4.471 0 1 HIAF CCN(CC)CCNC(=O)c1cccc(-c2cnc3ccc(-c4ccccc4)nn23)c1 1857640622 NRYVXBBPOQJNAW-UHFFFAOYSA-N 413.525 4.135 0 1 HIAF FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(Cc3ccc(Cl)cc3)cn2)c1 1857653017 UPFBFWHBHKNIFJ-UHFFFAOYSA-N 404.783 4.451 0 1 HIAF CCOc1ccc(CCNC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1OCC 4099421 TZMCSGLNWCHKSE-UHFFFAOYSA-N 423.513 4.134 0 3 HIAF CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)cn1 14981573 BYDCDHHSAVMKPG-UHFFFAOYSA-N 418.541 4.429 0 3 HIAF COc1cc2cc(CCOC(=O)c3ccc(C(F)(F)F)cc3)oc(=O)c2cc1OC 36388708 BLLOCSRMGQNREI-UHFFFAOYSA-N 422.355 4.229 0 3 HIAF CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2cccc(C)c2C)CC1 95564644 HEAODOGXMMJDBG-QHCPKHFHSA-N 404.562 4.002 0 3 HIAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1OCC 4041437 SZXKLVMWMRMFHG-FYYLOGMGSA-N 409.530 4.159 0 1 HIAF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4081164 YOWPRYRBWSPSFS-QZNHQXDQSA-N 420.896 4.282 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCCN1CCCC1 4213029 KCRBTPANROGQTI-XZOQPEGZSA-N 415.578 4.311 0 1 HIAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCC(C)(C)CO 4273895 UPSDQAPCJSABDM-NHCUHLMSSA-N 404.551 4.234 0 1 HIAF Nc1nc(N)c(-c2ccc(NCc3ccncc3)cc2)c(COCc2ccccc2)n1 13686017 HDJPAPNEPOKPQG-UHFFFAOYSA-N 412.497 4.032 0 1 HIAF O=C(O)C[C@@](O)(CSCCCCCCc1cccc(Cl)c1Cl)C(=O)O 13758134 QYUPBGVAGGNKEG-QGZVFWFLSA-N 409.331 4.120 0 1 HIAF O=C1C[C@@](c2ccccc2)(c2ccncc2)OC(=O)[C@@H]1SCCc1ccccc1 13766527 FTFCWRGMEWBWBU-ISKFKSNPSA-N 403.503 4.186 0 1 HIAF Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1C=Cc3c(c4ccccc4n(C)c3=O)[C@@H]21 14588135 DDSKJOGDKJUJHO-GCJKJVERSA-N 424.500 4.336 0 1 HIAF biogenic CCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2C)C1=O 15955475 ABHYSUHMYCUVOA-RCZVLFRGSA-N 415.537 4.351 0 1 HIAF biogenic COc1ccc(CN2N=C(c3ccc(OC)c(OC)c3)[C@@H]3CCCC[C@H]3C2=O)cc1 26502883 KBHCNHZXGQOFAJ-WOJBJXKFSA-N 408.498 4.265 0 1 HIAF CC(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 27521816 WQRLJNLBZCBCAP-ZLZSOUILSA-N 414.542 4.082 0 1 HIAF COc1ccc(CN2C=CC=C3C2=Nc2ccc(Cl)cc2N(C)S3(=O)=O)cc1 28638246 JYLBFAQGFFTALW-UHFFFAOYSA-N 415.902 4.072 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c3c1OCO3)C[C@@H](C)[C@H](C)C2 33833413 MXQNEADTXQGZEJ-CHWSQXEVSA-N 400.471 4.488 0 1 HIAF biogenic,in-vitro COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@H](C)N2C[C@H](c3ccccc3)C[C@@H]2C1 40656255 PKZKDNACFVSZIJ-DZOHQFGASA-N 413.949 4.070 0 1 HIAF CCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4cccc(C)c4)c3)ccnc12 43122145 XFQHIUKTIWAPNS-UHFFFAOYSA-N 400.438 4.134 0 1 HIAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCCC3=CCCCC3)co2)cc1 82072713 VGTBUCMZABTUTA-NRFANRHFSA-N 407.514 4.261 0 1 HIAF CCOC(=O)C1=CN(c2ccccc2OC)C=C(C(=O)OCC)C1c1ccccc1 85389684 JZHZKBADPQPVAS-UHFFFAOYSA-N 407.466 4.193 0 1 HIAF CC(C)(C)C(=O)CSc1nc2nncc-2c(O)n1-c1ccc(Cl)cc1Cl 103975617 PPXWSVKGLKRHGY-UHFFFAOYSA-N 411.314 4.487 0 1 HIAF Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CCCNC4)n3)c2c1 150000847 LRZCLGRWOPGGBZ-AWEZNQCLSA-N 407.424 4.096 0 1 HIAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@H]3CC[C@@]21C 169370590 SLZJMEMEWDUTRZ-IXGPGGTISA-N 403.611 4.127 0 1 HIAF CCS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 202732406 NUKKBDWDURQAMW-YADHBBJMSA-N 421.990 4.143 0 1 HIAF CCCc1nc2c(N3CC(NC(=O)/C=C\c4ccccc4)C3)cccc2n1C1CC1 206772330 WZVBQFAUPUFHBF-QINSGFPZSA-N 400.526 4.342 0 1 HIAF O=C1NCCN1c1ccc(Nc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1 219567305 LLCVVPCDYQLOKE-UHFFFAOYSA-N 406.877 4.343 0 1 HIAF Clc1ccc(NCC2CCNCC2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12 220123946 JXTUJSKNLLXUDZ-UHFFFAOYSA-N 424.980 4.157 0 1 HIAF Cc1oc(-c2ccccc2)nc1Cc1cccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)c1 253667835 VECHOKOQWBGLST-DQMBHMMVSA-N 407.466 4.247 0 1 HIAF COc1cc2c(cc1OC)-c1cc(=Nc3c(C)cccc3C(C)C)n(C)c(=O)n1CC2 253669729 HNFAGOMKGINFJE-UHFFFAOYSA-N 419.525 4.091 0 1 HIAF CCOCc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)o1 586903236 NHJRKIRPVJISQQ-UHFFFAOYSA-N 403.607 4.012 0 1 HIAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587193729 FMQFTRUHEYHKCA-LBPRGKRZSA-N 404.408 4.238 0 1 HIAF COCCCOc1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587377641 OHUAFVOMYRYGAR-IBGZPJMESA-N 420.303 4.462 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(I)c1F)O2 587385275 BWHRXPXTUTYGFV-ZDUSSCGKSA-N 415.177 4.167 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC3(CCN(C(=O)OC(C)(C)C)CC3)C1)O2 587401209 UBKUNNVRXJGSFU-HSZRJFAPSA-N 400.519 4.482 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nnc(S)s1)(c1ccccc1)O2 587412050 GORNTRXJDRZYTM-LJQANCHMSA-N 415.565 4.370 0 1 HIAF CC(C)(C)OC(=O)N1CCC2(CC1)OC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587515903 XFTAQJGJFSBCAG-DEOSSOPVSA-N 413.514 4.069 0 1 HIAF O=N[C@H]1CCn2c(O)nc3cccc(c32)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587521214 ANOZTMBXBZGVPT-CVDCTZTESA-N 403.438 4.020 0 1 HIAF COCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593414 CQXGSKUSHBAFJZ-ZJSXRUAMSA-N 406.434 4.294 0 1 HIAF C[C@]1(CCc2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608423 KWWVBIBJDDKPMA-XUZZJYLKSA-N 404.418 4.474 0 1 HIAF C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612481 UYLLNJLFLYMEIS-PNPIFTBSSA-N 404.418 4.330 0 1 HIAF O=C(CCN1CCCCCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657451 XLJDEGIIXOCBBS-UHFFFAOYSA-N 411.452 4.248 0 1 HIAF COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587811335 ZADMJNORKYVJNB-APBUJDDRSA-N 410.283 4.238 0 1 HIAF Cc1c(O)ccc2c1[C@]1(N[C@H](C(=O)O)C2)c2ccccc2CSc2ccccc21 963551292 MUFTYPVPDAJMQU-CYFREDJKSA-N 403.503 4.197 0 1 HIAF FC(F)(F)c1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 1772577208 MDCXCRFNIOMBBJ-UHFFFAOYSA-N 424.430 4.161 0 1 HIAF COc1ccc(NC(=O)c2nc(C)c([C@@]3(C)CC(c4cccnc4)=NO3)s2)cc1 13478202 RXDMFYLYZSBZAQ-OAQYLSRUSA-N 408.483 4.147 0 3 HIAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@@H]1c1cccc(F)c1 95598937 WBJWTERAHZMGAA-GOSISDBHSA-N 404.894 4.358 0 3 HIAF Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl 3814610 PHBYRHUAGNXCFU-UHFFFAOYSA-N 415.824 4.167 0 1 HIAF CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1)c1ccccc1 4036616 VYCKZVITPZGWLA-GGAORHGYSA-N 403.482 4.014 0 1 HIAF COc1ccc([C@H]2[C@@H](C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3C(=O)N2C)cc1 7991208 QWZWKHVQNCFOCR-TXKCWOHGSA-N 406.526 4.110 0 1 HIAF CCCCCC[C@H](CCCCNC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)CC(=O)O 13764955 SXNUBKHCXNSGCT-MRXNPFEDSA-N 414.550 4.413 0 1 HIAF CCOC(=O)[C@]1(C(C)C)Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC 13813311 OXRXXPMWFFWYPH-XMMPIXPASA-N 410.466 4.020 0 1 HIAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 29469116 NTODPRRAULLKAO-UHFFFAOYSA-N 408.329 4.435 0 1 HIAF O=C(c1cc2c(Br)cccc2[nH]1)N1CCN(Cc2ccc(F)cc2)CC1 40408887 ZZTKWRATRDEXIQ-UHFFFAOYSA-N 416.294 4.028 0 1 HIAF CC(C)N(Cc1ccccc1Cl)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40916002 RNZSGTNWRLLGSO-OAQYLSRUSA-N 420.891 4.008 0 1 HIAF CC(=O)Oc1ccc(OC(C)=O)c2cc(CCCn3cnc4ncccc43)ccc12 98081893 GTLIHYNAKOSTPA-UHFFFAOYSA-N 403.438 4.068 0 1 HIAF CCn1cnc2c(Nc3cccc(C(F)(F)F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc21 100821319 ITNUIFJLBYTNFE-OKILXGFUSA-N 419.455 4.290 0 1 HIAF CCCCn1c(O)c2n(c1=O)[C@H](c1ccc(OC)cc1)c1[nH]c3ccccc3c1C2 169717777 GKNMKFGNESPSPX-JOCHJYFZSA-N 403.482 4.187 0 1 HIAF COCCOCc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 207637474 MPVQPSRSFTWGDY-UHFFFAOYSA-N 400.431 4.214 0 1 HIAF CN(C)CCOc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013235 PQRPBYBNTMEKHI-UHFFFAOYSA-N 407.337 4.267 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ncccc3Cl)[nH]c2c1 587064861 HTFAACFTGUOBDO-UHFFFAOYSA-N 414.874 4.088 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080789 PTLKZLUBBOSKFG-AWEZNQCLSA-N 407.651 4.442 0 1 HIAF Cc1cnc(Cl)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc12 587240789 WWDJUFLJZISEPM-QURLWZIUSA-N 420.941 4.475 0 1 HIAF CCn1ncc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538416 DUBJELIVOYJHFP-BEFAXECRSA-N 415.243 4.074 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1ccnc1)c1ccc(F)cc1 587570037 JYKKRFSNCLWTFK-URXFXBBRSA-N 416.408 4.285 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)nc1 587594063 KTGXTUZDLFPWQN-QPPBQGQZSA-N 402.450 4.480 0 1 HIAF CC(=O)N1CCc2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587766010 LZHUHGFVJRKOEE-QKVFXAPYSA-N 417.322 4.295 0 1 HIAF CCOC(=O)/C=C/[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587796491 KQYYHKMHQIGJFW-NOGVYPAVSA-N 418.306 4.485 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2Cc3ccccc3C(=O)O2)N1 587832337 JNHNAUDDFBDUPS-GAFLKWJRSA-N 404.279 4.119 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(Cl)s2)N1 587848981 QLFGPQQDZPEBMS-ZIDLFYJRSA-N 404.688 4.166 0 1 HIAF C/C(=C/[C@]1(c2nccs2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587853439 MZXHJJNYLUNTJL-FBYCMSNQSA-N 410.356 4.288 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(Cl)cc1C(=O)O 587855755 RJWLYFQGMQWWHF-UHFFFAOYSA-N 413.648 4.386 0 1 HIAF COc1ccc(/C=C/Cc2nc3cccc(I)c3[nH]2)c(OC)c1 587929038 KMECCVJFQINGHT-HWKANZROSA-N 420.250 4.441 0 1 HIAF CCc1cc2c(cc1O)OC(C)=C(Oc1ccccc1)[C@]21c2nn(C)cc2CCN1C 963956554 YKBCQJLMRCJRBY-RUZDIDTESA-N 417.509 4.123 0 1 HIAF Cc1cc(-c2nnc(-c3ccc4c(c3)C[C@](CO)(N(C)C)CC4)o2)ccc1OC(C)C 1772607047 DALGRTPZINJDQK-RUZDIDTESA-N 421.541 4.281 0 1 HIAF COc1ccc(-c2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cn1 1857579286 DHTHVNDJHPCNTK-UHFFFAOYSA-N 415.497 4.059 0 1 HIAF O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356584988 ZLLUMBAEIVGBCC-WMLDXEAASA-N 422.382 4.353 0 1 HIAF C[C@H]1[C@@H](OC(=O)NCCc2c[nH]c3ccccc23)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711860 JCKXYFOCTGFGQA-ODMMOJHCSA-N 423.557 4.396 0 3 HIAF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4081167 YOWPRYRBWSPSFS-XJUOHMSHSA-N 420.896 4.282 0 1 HIAF CC(=O)OCC1=C[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C(C)C)=C3[C@H]2C[C@@H]1OC(C)=O 13413242 VTVZSBYDYBCNCU-KTMUCGRXSA-N 404.547 4.341 0 1 HIAF biogenic COc1cc2c(c(OC)c1OC)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2 13449432 OFXAQILQKJVEHQ-FQEVSTJZSA-N 409.526 4.370 0 1 HIAF FC(F)(F)c1cccc(N2CCN(CCCOc3ccc4nc[nH]c4c3)CC2)c1 28823968 KTCIPRZIPCMOSO-UHFFFAOYSA-N 404.436 4.173 0 1 HIAF CCCC[C@@H](CC)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(F)c(Cl)c2)C(=O)O1 40405909 XNFOFLKZKHRUHX-WWLXTMJWSA-N 412.885 4.300 0 1 HIAF Cc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2 49087702 PQQBCUZITMWICX-UHFFFAOYSA-N 403.482 4.128 0 1 HIAF in-vitro COc1cc(C(=O)c2c[nH]c(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC 64513580 YKMJYNISBMERAQ-UHFFFAOYSA-N 406.360 4.352 0 1 HIAF COc1ccc([C@@]2(O)c3cc(Cl)ccc3N=C(C)N2CCN2CCCCC2)cc1 72123131 UWSCOBDKVTYQGB-HSZRJFAPSA-N 413.949 4.393 0 1 HIAF C=CC1=C(C(=O)N2CCN(c3cccc(Cl)c3)CC2)[C@@H](c2ccc(OC)cc2)OC1 73225009 WKBITGHAFVCTFX-HSZRJFAPSA-N 424.928 4.251 0 1 HIAF CC(=O)NCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 82176933 XNVHNBAMNKSUEU-UHFFFAOYSA-N 413.481 4.322 0 1 HIAF COc1ccc(C2=NN(C(=O)[C@@H]3COc4ccccc4O3)[C@H](c3ccccc3)C2)cc1 95563589 JJNGTQBXROZDIP-URXFXBBRSA-N 414.461 4.213 0 1 HIAF O=C(O)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O 114764992 BSVQUYVESVZPNH-REPLKXPHSA-N 409.530 4.376 0 1 HIAF COc1cccc(N2C(=O)c3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@H]23)c1 169303856 GTCWNIWNZIWVCA-JOCHJYFZSA-N 416.433 4.032 0 1 HIAF CCCc1c2[nH]cccc-2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 169727417 NYWBVZBVXAYEPC-UHFFFAOYSA-N 410.481 4.129 0 1 HIAF 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=C1C[C@H]3O 198423492 LEMNKDYZZKCTCV-UXDWWDTASA-N 404.591 4.486 0 1 HIAF CC(=O)OC/C(=C/Cc1cc(/C=C/C(=O)O)ccc1OC(C)=O)CCC=C(C)C 206282668 JGJFXUFMIHNXAZ-DSEQSMTQSA-N 400.471 4.488 0 1 HIAF CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2csc(N)n2)c(F)c1 224807529 OBMFGYXQVHSDHK-UHFFFAOYSA-N 405.520 4.229 0 1 HIAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(O)c3[nH]2)C[C@H](C)O1 586968358 NFFHTYUYDBYESX-KBPBESRZSA-N 421.526 4.118 0 1 HIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)c(F)c(F)c2[nH]1 587174422 JDTBEGPZEYLEQI-NSHDSACASA-N 409.209 4.467 0 1 HIAF CCCOc1cc2nc(CCNC(=O)Cc3ccccc3)[nH]c2cc1Br 587229025 YSDVKVKVPJHYND-UHFFFAOYSA-N 416.319 4.016 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587424856 WLVLHVUZYHZHAW-IHANMSTJSA-N 401.409 4.015 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(CSc4ncccn4)c1)[C@@H](C2)C3=O 587451063 IZWYEXNKXFPUCA-GAJHUEQPSA-N 420.490 4.146 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Br)ccc(F)c12 587510868 XYGSPTLJXVFEQE-FQEVSTJZSA-N 416.246 4.280 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC 587589764 AERSXHXFCAQJBB-RXVVDRJESA-N 408.406 4.121 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593129 CKDGLPMFEPITSO-SQJMNOBHSA-N 418.445 4.429 0 1 HIAF COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587806799 JMEBODKFHABRJB-FKIZINRSSA-N 422.294 4.239 0 1 HIAF COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1O 587811398 ZWZAOILXWYIVEF-OVWNDWIMSA-N 410.283 4.109 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(C(=O)O)ccc1OC2(C)C 587835993 YIKJRBXIVYTMGS-SBKAZYGRSA-N 420.278 4.235 0 1 HIAF C[C@]1(c2ccc(OC3CCOCC3)cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962759161 BIXFDDKZAPVZCN-IFMALSPDSA-N 419.443 4.154 0 1 HIAF CCOC(=O)c1ccc([C@]2(C3CCCC3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963037436 VONUWQDXDZDTCW-DWXRJYCRSA-N 418.537 4.350 0 1 HIAF Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccccc3)C2)nnc1-c1cccnc1 1772635469 WURHPBCTBQAVRU-OFNKIYASSA-N 405.571 4.239 0 1 HIAF O=C(NCCc1c[nH]c2ccccc12)c1ccc(Br)c(Br)n1 1857535292 KHGNFWBOPLKHAF-UHFFFAOYSA-N 423.108 4.060 0 1 HIAF CN(C)C1=N[C@@H](c2ccc3cc(OCc4cccc(Cl)c4)ccc3c2)NC(=N)N1 1857758103 ICEUUMXMSNHIJX-FQEVSTJZSA-N 407.905 4.116 0 1 HIAF COc1ccc(Cn2cnc3sc(-c4ccnc5[nH]ccc45)cc3c2=O)cc1OC 1911585504 ROHCLNJJGADSEF-UHFFFAOYSA-N 418.478 4.067 0 1 HIAF CCCCC[C@@H](C[C@@H](CCc1ccc(O)c2c1CCCO2)OC(C)=O)OC(C)=O 2356366984 UFKMIQCPIRYOCT-VQTJNVASSA-N 406.519 4.484 0 1 HIAF CC(=C[C@H](C)C[C@H](CO)C[C@H](C)C[C@H](C)[C@@H](C)O)C=C(C[C@@H](C)C(=O)O)C(=O)O 2356872080 YOSAXDOXINGSJA-OOKRNFQXSA-N 412.567 4.122 0 1 HIAF Cc1ncc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cn1 11840068 SLGDRZFZLZVKLF-OAQYLSRUSA-N 404.489 4.442 0 3 HIAF Cc1ccc(C)c(OCc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)no2)c1 12030042 CJHPGWVNSZDRKR-UHFFFAOYSA-N 419.525 4.265 0 3 HIAF COc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1COc1ccc(NC(C)=O)cc1 13828647 SRDVQKBYLVCEKX-HSZRJFAPSA-N 417.465 4.087 0 3 HIAF COc1ccc([C@@H]2[C@H](C(=O)N3CCCC[C@@H]3C)CC(=O)N2c2ccc(OC)cc2)cc1 201457885 XUBBUXFQZRDFFX-VXWZWFMZSA-N 422.525 4.199 0 3 HIAF COc1ccc2nc(C[C@@H]3CN(C4CCC(F)(F)CC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356305811 JAZITHGQXNYWGK-LSDHHAIUSA-N 421.488 4.105 0 1 HIAF COc1ccc2c(c1)c([C@@H](C)N(O)C(N)=O)c(C)n2C(=O)c1ccc(Cl)cc1 29402891 GMMZGDJCJCDIFZ-GFCCVEGCSA-N 401.850 4.131 0 1 HIAF O=C1CCC(=O)N1[C@H](CCc1ccncc1)COc1ccc(-c2ccccc2)cc1 27319081 KICAPRIDENNFTR-JOCHJYFZSA-N 400.478 4.278 0 1 HIAF Cc1ccc(NS(=O)(=O)c2cc3c(cc2-c2ccccc2)NC(=O)CO3)cc1C 64492129 LFKHSAHGVHJEPF-UHFFFAOYSA-N 408.479 4.102 0 1 HIAF COc1ccc([C@H](O)c2ccsc2-c2cc(OC)c(OC)c(OC)c2)cc1O 26388876 GPRXMZJLDTWHDH-IBGZPJMESA-N 402.468 4.237 0 1 HIAF CCOC(=O)CCCOc1ccc(Nc2ncnc3ccccc23)c(CN(C)C)c1 28703614 MSLRUTIQNNLLLI-UHFFFAOYSA-N 408.502 4.157 0 1 HIAF CC(C)NC(=O)Cn1nnc(-c2ccccc2)c1COc1ccc2ccccc2c1 61908810 IMIZRAKBFUUVOZ-UHFFFAOYSA-N 400.482 4.202 0 3 HIAF COc1ccccc1N1CCN(C(=O)CSc2c(Cl)cccc2Cl)CC1 7096659 XGAPBPHVPLMEAW-UHFFFAOYSA-N 411.354 4.443 0 1 HIAF biogenic Cn1ncc2c1CCc1c-2c2c(c3c1[nH]c1ccc([C@H]4CCCCO4)cc13)CNC2=O 49047249 XDDKJJLWQBEZES-HXUWFJFHSA-N 412.493 4.305 0 1 HIAF COc1cccc(-c2cc3c(Nc4cccc(NS(C)(=O)=O)c4)nccc3n2C)c1 82079367 CZPNXELTVGREEY-UHFFFAOYSA-N 422.510 4.364 0 3 HIAF Cc1cc(C)n2nc(S[C@@H](C)c3nnc(SCc4ccc(F)cc4)o3)nc2n1 40403591 CUDBOPLLEFGPRK-LBPRGKRZSA-N 416.507 4.409 0 1 HIAF O=C(NCCCCO)c1c(-c2ccccc2)oc2c1[C@H](OCCCCCO)CCC2 95601273 GHJKJGBSLBLZLU-LJQANCHMSA-N 415.530 4.006 0 3 HIAF COc1ccc(O)c(Cc2c(OC)cc(O)c3c2O[C@H](c2ccccc2)CC3=O)c1 238766948 FGLXKSSULAGDGI-NRFANRHFSA-N 406.434 4.412 0 1 HIAF CCOc1ccc(NCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867357 BWWAURYHNFVOBG-UHFFFAOYSA-N 420.391 4.124 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCN(C)C)(c2ccc(O)cc2)N1 587741407 MWMLDZSUDNLDCI-RNODOKPDSA-N 407.327 4.023 0 1 HIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 587039012 DLKIEFAZVAHQJG-JTQLQIEISA-N 402.289 4.447 0 1 HIAF NC(=O)c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 587120298 WRUPXUBTQKOACJ-UHFFFAOYSA-N 422.370 4.057 0 1 HIAF N[C@H](N=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587027469 RAQSICXWBWTZBV-CMBBURJTSA-N 423.542 4.423 0 1 HIAF COCOc1ccc(OC)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587804275 DHRLFBVOWARZIU-WYRIXSBYSA-N 410.283 4.203 0 1 HIAF COc1cc(OC)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587808180 PLIPVKGYYWZQCJ-PRWKNARSSA-N 424.310 4.412 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCSCC2)o1 587620602 ZWCCZIAVVJRFJC-NZQKXSOJSA-N 423.490 4.237 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(CCOCc3ccccc3)nc2c1 587565846 LEKNVBKHRVYWCD-UHFFFAOYSA-N 403.276 4.261 0 1 HIAF COC(=O)c1cc(Br)c2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2c1 586905596 VEAKRESNFQKZNR-LBPRGKRZSA-N 405.248 4.050 0 1 HIAF C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)c3c(F)cccc3C[C@@H]3CCCN32)C1=O 963111483 ODNPSPXEISPLPK-OWHZGTRUSA-N 406.501 4.090 0 1 HIAF CN1C(=O)C[C@H]2CN[C@](c3ccc(C(C)(C)C)cc3)(C3CCNCC3)c3cccc1c32 963038650 XKIGWXZBLDXKCK-XRHLQHRESA-N 417.597 4.281 0 1 HIAF COc1cc(C2=N[C@@H](COc3ccc(F)cc3C)CON2)ccc1-c1ccnc(C)c1 1772579298 KVUDROOMRIAVJM-FQEVSTJZSA-N 421.472 4.242 0 1 HIAF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(C)c(C)c1 5512694 UPKUMLKWNJTSMG-NRFANRHFSA-N 418.578 4.476 0 1 HIAF in-man CS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2cc(F)cc(F)c2)OCO3)cc1 13530432 KRYBJPYEJPSZRQ-UHFFFAOYSA-N 402.418 4.355 0 1 HIAF C[C@@]12CC[C@H]3c4ccc(OP(=O)(N5CC5)N5CC5)cc4CC[C@H]3[C@@H]1CCC2=O 17323945 QFASSRYAKVZHGY-CUXKYVRBSA-N 400.459 4.230 0 1 HIAF COc1ccc(-c2cnc3cncc(Nc4ccc(N5CCOCC5)cc4)c3n2)cc1 200655598 IKUXHAZDRPCANL-UHFFFAOYSA-N 413.481 4.281 0 1 HIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4c(c3)OCCO4)c2cn1)c1ccccc1 205432418 BWSDQKWWJQUHST-CQSZACIVSA-N 415.453 4.279 0 1 HIAF CC(C)S(=O)(=O)c1ccc(-c2c[nH]c(=N)c(-c3cc(-c4ccccc4)no3)n2)cc1 1857541899 PTDUHCKFWWNGET-UHFFFAOYSA-N 420.494 4.060 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(CCCN1CCN(c3ccccc3)CC1)OCC2 27882218 UVTXCNCYQXWGHF-VWLOTQADSA-N 410.558 4.094 0 1 HIAF FC(F)(F)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1 58574683 CNLCKMDXRXVYMV-UHFFFAOYSA-N 405.468 4.317 0 1 HIAF CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc3ccccc13)C1=C(O)c3ccccc3C1=N2 103529165 QFXVTZKUYYVGPO-IBGZPJMESA-N 421.456 4.259 0 1 HIAF CCN(CC)c1ccc2c(-c3nnn[nH]3)c(-c3nc4ccccc4s3)c(=O)oc2c1 102845238 NRGLYIURWRJMFT-UHFFFAOYSA-N 418.482 4.096 0 1 HIAF CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@@H]12 101911321 LAAZEJPVRHNOIV-IMAQQZIHSA-N 417.962 4.155 0 1 HIAF N[C@H]1CN(c2cc(-c3ccccc3Cl)ncn2)C[C@@H]1c1cc(F)c(F)cc1F 28823827 ZMQYJZYJNALMFG-ACJLOTCBSA-N 404.823 4.145 0 1 HIAF CCOc1cc2ccc(OCCN3c4ccccc4O[C@H]4C=CC=C[C@@H]43)cc2oc1=O 26573700 FEPUJWTXMSFRJK-FPOVZHCZSA-N 417.461 4.333 0 1 HIAF O=C(NN1CC=C(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CC1)c1ccccc1 27853747 PXVYHTIMEYCNCY-UHFFFAOYSA-N 414.553 4.240 0 1 HIAF COc1ccc([C@@H]2/C=C/CN(C(=O)CC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 36388548 SFUWUQOIWQLLBM-OIUIXCLQSA-N 424.516 4.349 0 1 HIAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)Nc1cccc(O)c1 15672849 XOAGZOZYQXXAAQ-IRXDYDNUSA-N 411.502 4.310 0 1 HIAF biogenic O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1csc(Nc2ccccc2)n1 82081898 KRJJCTVABDDMLX-UHFFFAOYSA-N 420.538 4.443 0 1 HIAF COCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccccc2F)n1 82217170 QOVXBWZXWVIVQZ-UHFFFAOYSA-N 402.514 4.095 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCCOC)nc1-c1ccc(-c2ccccc2)cc1 82154245 FINYARJQEVFCAS-KRWDZBQOSA-N 404.514 4.397 0 1 HIAF CC(=O)c1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1 84603174 LQHRETDBVKGSEW-QFIPXVFZSA-N 405.519 4.326 0 1 HIAF CC(C)(O)CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 147583478 KMSWISRURCGMKM-UHFFFAOYSA-N 419.930 4.048 0 1 HIAF C[C@@H](Oc1cc(-c2ccc(C(F)(F)F)cn2)cc2ncccc12)[C@H]1CNC(=O)C1 146015206 PXYKBAKIWLJULL-TZMCWYRMSA-N 401.388 4.219 0 1 HIAF Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)c(F)c3)c12 142482141 FMJHCIVLBIHDBE-UHFFFAOYSA-N 405.433 4.103 0 1 HIAF NC1=N[C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3Cl)C[C@H]2CCS1 95588818 SEFSAJZVMRSUIZ-MGNBDDOMSA-N 407.326 4.308 0 1 HIAF COc1cc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc2c3c(oc12)CCNC3 147514634 ABIMZVJIVHZPCU-UHFFFAOYSA-N 412.294 4.227 0 1 HIAF COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2OCCC[C@@H]12 254046350 COSCUZRDNFVXDW-HGLCDXEZSA-N 409.320 4.297 0 1 HIAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccc(-c3ccccc3)cc2)cc1Cl 261149931 OQBOXUNTOZRLJL-IBGZPJMESA-N 410.857 4.356 0 1 HIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CC(=O)O 587804557 BUIOMVJNFQJOSU-PRWKNARSSA-N 422.294 4.022 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(F)cc1 587169902 FIVXRYQUBDXANY-UHFFFAOYSA-N 407.430 4.046 0 1 HIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 587146930 BWSFBDMHTHECON-UHFFFAOYSA-N 406.369 4.441 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587740708 FCVSKAOECIACTJ-PRWKNARSSA-N 421.310 4.353 0 1 HIAF O=C1c2ccccc2-c2cc(CS(=O)(=O)c3ccccc3)nc3ccc(O)c1c23 586993984 NTXNVOBOOMQQAO-UHFFFAOYSA-N 401.443 4.126 0 1 HIAF C/C(=C\[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587740813 KPZHZQWEORLTCB-DJWNQLJPSA-N 404.327 4.226 0 1 HIAF COc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1OC 587000720 JZZTTYQYCUIHDV-ONEGZZNKSA-N 417.259 4.284 0 1 HIAF CC(C)[C@@H](c1nc2nc(Br)c[nH]c-2n1)N(C)C(=O)OCc1ccccc1 587198332 YSVGARIKVBBNRD-AWEZNQCLSA-N 418.295 4.033 0 1 HIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)C(C)C 586933121 MWTWDFMORNGJOG-CYBMUJFWSA-N 422.776 4.395 0 1 HIAF CCOC(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592440 HDAFHGZRQHNHCD-ZJSXRUAMSA-N 420.417 4.037 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587230187 FXWZZBNEQKWGKG-RBUKOAKNSA-N 407.514 4.178 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587351651 KISDRTGCWAIGTH-ZJSXRUAMSA-N 406.409 4.346 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(CCO)cc3[nH]1)N2 587032876 VDGHNTITTNXABY-DZZSIBQASA-N 414.556 4.225 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccco1)(c1cc4ccccc4nc1C=O)[C@@H](C2)C3=O 587436582 RQJIAFSGPZCMNA-BVZFJXPGSA-N 411.413 4.340 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(C=C(c3ccccc3)Oc3ccc(F)cc31)NCC2 962922752 HEHABMBDNVPLPL-AREMUKBSSA-N 414.480 4.350 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc(F)c(F)c2F)N1 963206885 ZDUZVPRQNZCQMZ-ZUZCIYMTSA-N 409.713 4.464 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)NC21CCCN(C(=O)OC(C)(C)C)CCC1 963610241 OQJZKTYSMHYGDX-MRXNPFEDSA-N 404.551 4.244 0 1 HIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1 962964975 KISCAGYHOABXRX-XHDPSFHLSA-N 407.722 4.031 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(CCc3nc(Cl)ccc32)N1 963189860 NICVSQZCHTTWAO-YVEFUNNKSA-N 417.214 4.196 0 1 HIAF C[C@H](c1ccccc1F)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492046 GAPAYNNUVHYSJB-CQSZACIVSA-N 406.436 4.499 0 1 HIAF Ic1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 13834616 UGMXJNROXDAJKE-UHFFFAOYSA-N 419.270 4.158 0 1 HIAF COc1ccc(-c2ccc3c(c2)COCC(=O)N3CCc2ccccc2)cc1OC 205222435 GEXCUKQAXPRNRA-UHFFFAOYSA-N 403.478 4.477 0 3 HIAF O=C(CCCN1C(=O)c2ccc(Cl)cc2C1=O)Nc1ccc(-c2ccccc2)cn1 1857559353 KQCAKWCMIQCXHP-UHFFFAOYSA-N 419.868 4.417 0 1 HIAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(-c2ccsc2)nn1 1857747335 IOQWMQNPXLJHDR-UHFFFAOYSA-N 411.434 4.101 0 1 HIAF CCCc1nc(CC)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 3806121 ODISHMFPJYIVHR-UHFFFAOYSA-N 400.486 4.106 0 1 HIAF CS(=O)(=O)c1ccc([C@@]2(C(=O)Nc3nccs3)C[C@H]2C2CCCCC2)cc1 3962568 GSCWRMDHCYJPDA-PXNSSMCTSA-N 404.557 4.023 0 1 HIAF COc1cc(N[C@H](C)CCCN2C(=O)[C@H](C)NC23CCCCC3)c2ncccc2c1 28520356 KUSUCJNZQNCWFR-MSOLQXFVSA-N 410.562 4.305 0 1 HIAF COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCC(F)(F)C4)ccc32)cc1 28818080 PMTYUERLXGUADP-HSZRJFAPSA-N 416.512 4.382 0 1 HIAF COc1ccc2nc(NCCCCN3CCN(c4ccccc4OC)CC3)ccc2c1 29135513 RRPRNLNNCGETJT-UHFFFAOYSA-N 420.557 4.266 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2C[C@H](O)[C@]2(C)[C@@H]3C(=CC[C@@H]21)C(=O)O[C@H]3O 34010734 ATVQOEWPZTUPDT-PPFAFWLMSA-N 402.575 4.444 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(N)c1 36189211 GXYDBTCLBZLDRJ-MNLGXKRNSA-N 407.558 4.121 0 1 HIAF O[C@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCCc1ccc(F)cc1 36271433 DTTQTDUZOHHUFF-DSITVLBTSA-N 405.513 4.308 0 1 HIAF CN1CCN(c2cc3[nH]nc(/C=C/c4ccccc4)c3cc2NCc2ccccn2)CC1 43153636 RWWHTDBBMWURNC-ZHACJKMWSA-N 424.552 4.492 0 1 HIAF COc1cc(Nc2cncc(Oc3ccc4c(c3)C(=O)CC4)n2)cc(OC)c1OC 45484062 RQKAIIPTCFEPGF-UHFFFAOYSA-N 407.426 4.167 0 1 HIAF COc1ccc(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccco3)s2)cc1 82165770 PDHVDIMJNOFQQH-UHFFFAOYSA-N 420.494 4.372 0 1 HIAF CC(C)(C)CN1C(=O)CCC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 95565877 LBZCDLFBURWNPW-CQSZACIVSA-N 404.860 4.402 0 1 HIAF CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)c2c(n1)N(C(C)C)CN2 100443278 VXDQWJSJZLHNQD-HNNXBMFYSA-N 408.909 4.039 0 1 HIAF O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2coc(-c3ccccc3)n2)CC1 115467407 UEAQSYGPPLVFST-UHFFFAOYSA-N 404.466 4.208 0 1 HIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(OC(F)(F)F)ccc1OCCCC(F)(F)F 143171101 KWQPEPNSBUXWMG-UHFFFAOYSA-N 424.297 4.247 0 1 HIAF CN(CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)[C@@H]1CCOC1 146470268 GSISLXKFMHYNDC-LJQANCHMSA-N 408.571 4.295 0 1 HIAF COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 166987763 PXNXLOMDHVIHNB-GJZGRUSLSA-N 413.367 4.414 0 1 HIAF O=C(CCCc1cccs1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167832362 JHKURAMHMTXKJI-UHFFFAOYSA-N 407.539 4.262 0 1 HIAF O=C(/C=C/c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ncccc1-3)NCc1ccccc1 169349952 FTSSNRJIDSJQDQ-PKNBQFBNSA-N 408.461 4.054 0 1 HIAF CCOC(=O)[C@H]1C(C)=NC(=O)N(C)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729869 XFYUVWXNUSVPAY-SFTDATJTSA-N 410.470 4.021 0 1 HIAF COc1cccc(-c2cccc(C(=O)N[C@H](CC(=O)O)c3ccccc3Cl)n2)c1 261183195 WOMJQQXIELYZFO-HXUWFJFHSA-N 410.857 4.356 0 1 HIAF COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3nc(N)nc(N)c3c2)cc1 299862732 NTFMYRDLPDIVKG-UHFFFAOYSA-N 415.497 4.018 0 1 HIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cnn(-c2ccccn2)c1CC3 586986696 FCIXCKKRYHTDKL-UHFFFAOYSA-N 416.440 4.498 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(C(F)(F)F)cc4[nH]3)cc12 587037649 MBMQZHRGZBKSEW-SECBINFHSA-N 407.421 4.329 0 1 HIAF Brc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br 587040840 SAGSLKIZFMOVBL-UHFFFAOYSA-N 412.110 4.388 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cnc(Cl)[nH]c-4n3)cc2)cc1F 587146971 BFKMSSVXVCIGNZ-UHFFFAOYSA-N 409.852 4.105 0 1 HIAF COc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)nn1-c1ccccc1F 587156868 UQJXDWORAMUXSF-UHFFFAOYSA-N 405.202 4.465 0 1 HIAF COc1cccc2c1OC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356308 JHOXMYVINQMCQP-QPPBQGQZSA-N 406.409 4.273 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cccn3c(Br)cnc13)CC2=O 587458507 KCKJHBWEJYPGLX-INIZCTEOSA-N 401.260 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2c(Cl)cc(Cl)cc21 587462991 SJXKXJDQVUFSGK-HXUWFJFHSA-N 406.265 4.489 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(c3ccccc3)C[C@@H]1C(=O)OCC)CC2=O 587480979 XBEPMCPNTWFEIK-NLFFAJNJSA-N 423.509 4.138 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)CCC(=O)O)(c1ccccc1)CC2=O 587489844 PKAXTVFKGNTSRL-DEOSSOPVSA-N 410.466 4.420 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](C1=C(c3ccccc3)N3CCN=C3S1)CC2=O 587499160 LCHBUMJKMQCABC-LJQANCHMSA-N 406.507 4.466 0 1 HIAF CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc(C(F)(F)F)c21 587502494 ABHATXVHKNDJKH-NRFANRHFSA-N 401.384 4.421 0 1 HIAF CCOC(=O)C[C@]1(COCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587527185 WMGFMPGBPYZWNC-VWLOTQADSA-N 408.494 4.439 0 1 HIAF CC(C)NC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587570402 IPEIYFDETVAXDC-REWPJTCUSA-N 403.434 4.233 0 1 HIAF Cc1nn(-c2ccccc2)c2sc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc12 587654660 XWUFABUXXBPFMO-UHFFFAOYSA-N 420.881 4.447 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587741198 GINZPYOAKHSAIO-GIPWTMENSA-N 403.295 4.271 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790926 KGZJTZSSUGTSOX-ZRNGKTOUSA-N 409.299 4.283 0 1 HIAF COC(=O)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587804742 SDHSQAHJUFKRKT-BIBXISHDSA-N 417.278 4.020 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Nc1nc2ccccc2s1 587872509 MARFOPZFOCRPQF-CYBMUJFWSA-N 410.474 4.838 0 1 HIAF COc1cccc(CCc2nc3c(Br)cnc(Br)c3[nH]2)c1 587930045 CRHFFLJFXDCCBC-UHFFFAOYSA-N 411.097 4.277 0 1 HIAF COc1cccc(-c2cc(O)n(-c3cc4cnccc4c(Br)n3)c2O)c1 587940769 MRZJBBJBHBSZEU-UHFFFAOYSA-N 412.243 4.270 0 1 HIAF CC[C@]1(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)CC(=O)c2ccccc2C1 587959066 CBIDNYDXGLXUBS-RUZDIDTESA-N 403.526 4.163 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@]1(C)c1ccc(N2CCCOC2=O)cc1 961329297 XYWCWEISRXCFQR-VWLOTQADSA-N 424.541 4.200 0 1 HIAF CC(C)(CN1CCOCC1)[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963819887 YEGLIFLHXUBSNP-VWLOTQADSA-N 419.569 4.292 0 1 HIAF O=c1ccc2ccc(OC[C@@H]3CC(c4ccc(Br)cc4)=NO3)cc2o1 1772612424 AWYGIZPDVNQYST-INIZCTEOSA-N 400.228 4.128 0 1 HIAF COc1ccc2c(c1)CC[C@H](Cc1cc[n+](Cc3cccc(F)c3)cc1C(C)=O)C2=O 1857536909 ISOJSTQQWFZFEQ-OAQYLSRUSA-N 418.488 4.361 0 1 HIAF COc1cc(-c2ccnc3[nH]nc(-c4ccc(N(C)C)cc4)c23)cc(OC)c1OC 1857600937 QDAKWXKYZGMSNC-UHFFFAOYSA-N 404.470 4.384 0 1 HIAF COc1ccc(-c2cc3c(cn2)nc(O)n3-c2cc(OC)c(OC)c(OC)c2)cc1C 1857617790 MZUHVSPPPVPFOU-UHFFFAOYSA-N 421.453 4.136 0 1 HIAF Cn1cc(-c2ccc(C(=O)N(c3nccc4ccccc34)[C@@H]3CCCNC3)cc2)cn1 1857637939 ZHDZEUMVTTWVJV-JOCHJYFZSA-N 411.509 4.034 0 1 HIAF CC=Cc1cc(OC)c(O[C@@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356517304 FLBWVIKFCMUTDS-LHSJRXKWSA-N 418.486 4.264 0 1 HIAF O=C(NC=Cc1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2ccccc12 2356682988 CNFDLPADVYGTJH-UHFFFAOYSA-N 408.255 4.382 0 1 HIAF CC(=O)N1C[C@H]2C[C@H]1CN2Cc1cc2cc(Oc3nc4cnccc4s3)ccc2o1 101656303 ALVGFUKVAKXBOD-CVEARBPZSA-N 420.494 4.035 0 1 HIAF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2F)c1-c1ccc(F)cc1 103229974 CHLPZBLSIDVKCY-UHFFFAOYSA-N 414.431 4.396 0 1 HIAF CC[C@@H](O)[C@@H](O)n1c(=O)c(-c2ccc(F)cc2)c(-c2ccncc2)c2ccccc21 29039974 HGDZRTCSWAZCQY-NFBKMPQASA-N 404.441 4.131 0 1 HIAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(Br)cc32)cc1OC 26668022 DZVSHDCFTWCEAC-KRWDZBQOSA-N 401.304 4.377 0 1 HIAF COc1ccccc1-c1ccc([C@@H]2C[C@H]3[C@H](CON3C)CN2C(=O)c2ccco2)cc1 61924042 UAPDNRJICOKKGX-BVSLBCMMSA-N 418.493 4.404 0 3 HIAF CO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc4ccccc4c3)O[C@H]2[C@@H]1OC 28571713 AVLPLHDSANEDSO-PROFCWERSA-N 406.478 4.424 0 1 HIAF Nc1ncnc(N2CCC([C@H](N)c3ccc(Cl)cc3)CC2)c1-c1ccc(F)cc1 218696714 UEWDPNFKBSBEQP-HXUWFJFHSA-N 411.912 4.435 0 1 HIAF O=C(NCc1ccccc1Cl)[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1Cl 1911573101 WXZCNNIIARIRCP-KRWDZBQOSA-N 411.716 4.454 0 1 HIAF CS(=O)(=O)Nc1ccc(NC(=S)NC2CCCCC2)cc1Oc1ccccc1 43023033 BYAOXSPQNZSONQ-UHFFFAOYSA-N 419.572 4.470 0 1 HIAF O=C(NCc1c(Cl)cc(Cl)cc1Br)[C@@H]1COc2ncsc21 220865677 CGEAJBGDXXBCAJ-MRVPVSSYSA-N 408.104 4.005 0 1 HIAF Cc1ccc(C(=O)NC2CC2)cc1Oc1nnc(C)c2c1cnn2-c1ccc(F)cc1 49046483 YIGSFDZVEUVZOH-UHFFFAOYSA-N 417.444 4.256 0 1 HIAF CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1 45506281 HHJZLMLSFAAFSL-UHFFFAOYSA-N 411.615 4.407 0 1 HIAF in-vitro C[C@@H](CCc1ccccc1)NC[C@@H](O)c1ccc2c(c1)S(=O)(=O)c1ccccc1N2 45230810 YRMWHBYBFCTAFY-HTAPYJJXSA-N 422.550 4.221 0 1 HIAF Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(F)c1 40423411 PRRWTJDKSYTQRZ-UHFFFAOYSA-N 411.433 4.418 0 1 HIAF CC1(C)CC=C(c2cc(C3(O)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1 143890849 GEUGOVLVAYSODL-UHFFFAOYSA-N 420.513 4.125 0 1 HIAF O=C(O)[C@@H]1CCCN(CCO/C=C/c2cc(F)ccc2Cc2ccccc2F)C1 96923958 LFJRBVHGXKJLHK-RGFVMQALSA-N 401.453 4.340 0 1 HIAF CN1C[C@H](C(=O)OCCO)C[C@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@H]21 253633414 KIIBBCNQABCMRJ-RZFNWQHOSA-N 410.558 4.032 0 1 HIAF CCC(=O)N(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCC[C@H]3N)CC1 473123276 UZJPLVWMJIMFHG-RUZDIDTESA-N 405.586 4.473 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)CCC(=O)O)(c1ccc(C)s1)O2 587410868 QWQXJAONEAONNV-NRFANRHFSA-N 401.484 4.022 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cnccn2)N1 587737101 WMKZIGCDMHIPSD-YUNKPMOVSA-N 416.269 4.343 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(OC(F)(F)F)ccc12 587505486 LIHIFXWQRJMREX-FQEVSTJZSA-N 403.356 4.277 0 1 HIAF Fc1cc(Br)c2[nH]c(-c3cncc(I)c3)nc2c1 587185029 OZWOPMNFZMIVKW-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587378341 URBSMMUUFJHHLL-FQEVSTJZSA-N 418.287 4.154 0 1 HIAF O=S(=O)(c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1)C(F)(F)F 587079962 JALYLWNCQGPRGG-AWEZNQCLSA-N 402.781 4.186 0 1 HIAF CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2C 587341800 XTHHOKSAEPDYEJ-RCZVLFRGSA-N 417.436 4.325 0 1 HIAF Nc1ccc(O)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587507258 BMKYNSPOEHQJDP-AREMUKBSSA-N 411.457 4.307 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726009 HIEPVAPSANIEEG-NSPYISDASA-N 410.258 4.068 0 1 HIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc2c1N(CC2)C(=O)C3 586989351 FZUVYKVFEIFVJD-UHFFFAOYSA-N 404.425 4.264 0 1 HIAF Clc1nc(-c2nc3cc(I)cnc3[nH]2)cc2ccccc12 587086163 VETNFRRPJVCMFS-UHFFFAOYSA-N 406.614 4.431 0 1 HIAF C[C@]1(Cn2nc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336632 ZAVLKURSJMGXOZ-DNVCBOLYSA-N 422.243 4.247 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccncc12 587779551 TVWQWNHCFQVCGA-IPQOISQHSA-N 423.285 4.354 0 1 HIAF COc1ccccc1[C@]1(CNC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570581 JNGOULWSFPLOJJ-DHLKQENFSA-N 419.477 4.256 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]43C)[C@H]1CCC2=O 587562249 TVEOVVSPPLMXMI-HAEYYRDNSA-N 405.498 4.187 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1N1CCCC1)[C@@H](C2)C3=O 587430462 GEJGGXKALTXBTQ-YADARESESA-N 415.493 4.278 0 1 HIAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC 587807338 NBVAXPLZMVQFFB-MLCYQJTMSA-N 410.283 4.238 0 1 HIAF CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CO 587599426 XIRXPANIJXEGAO-XUZZJYLKSA-N 406.434 4.376 0 1 HIAF Nc1ccc(C2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587578158 MLXQFEJWWHTXLZ-QHCPKHFHSA-N 424.456 4.462 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](NC(=O)OC(C)(C)C)C2)N1 587742981 MTULHFYINKHATI-BLWXERESSA-N 413.331 4.395 0 1 HIAF Cc1[nH]c2ccccc2c1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590437 SFKKDALKNUIMSQ-RDPSFJRHSA-N 415.401 4.124 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ncccn3)s2)N1 587852126 DIDNLHUIVZRRPF-VFZGTOFNSA-N 405.296 4.125 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(Br)c2)N1 587682310 LFRNYIVGILZSPS-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF COC(=O)c1[nH]c(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587791425 MBGHZYQDYCYGTA-HOGDKLEQSA-N 409.299 4.117 0 1 HIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1c(I)ccnc1F 963094491 MGRNJLNTRLHBRU-WBMJQRKESA-N 412.221 4.074 0 1 HIAF O=C1O[C@H](CN2CCN(c3ccccc3)CC2)CC1(c1ccccc1)c1ccccc1 13651093 STSDARXGGAEJHY-VWLOTQADSA-N 412.533 4.110 0 1 HIAF COC(=O)[C@@H](N)C[C@@]1(C)C[C@@H]2CC[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C 169362221 UASYBMLHVWZBST-PNULUVANSA-N 408.627 4.288 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccccc1F 203324682 MLCNMZDNVUJOPC-IBGZPJMESA-N 408.429 4.151 0 1 HIAF O=C(NCc1ccc(F)c(Cl)c1)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1 205450631 KGZZPXZYNHJLCS-UHFFFAOYSA-N 414.803 4.273 0 1 HIAF CCC(CC)Oc1ccc2c(ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn32)c1 1857609904 BCVGWXWJAWRNQP-QHCPKHFHSA-N 405.542 4.484 0 1 HIAF NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 1857771752 FXDROENCOYNWHS-LNVKXUELSA-N 407.520 4.086 0 1 HIAF Cc1cccc(CCOn2c(Sc3cc(C)cc(C)c3)c(C(C)C)c(=O)[nH]c2=O)c1 6523074 VMTYDBBFKWRJII-UHFFFAOYSA-N 424.566 4.408 0 1 HIAF Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCC3)c(C)c1 6808676 MKSAZPDCMKVEQZ-UHFFFAOYSA-N 407.489 4.373 0 1 HIAF CCCC[C@]1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26498644 ORZUHCCELZCEMF-LADGPHEKSA-N 424.497 4.428 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H]3CCCCC3=O)CN(C)[C@H]1C2 27518812 HFQSQNJGOYLPPV-QXPQREGVSA-N 408.542 4.237 0 1 HIAF COc1ccc2c(O)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc2c1C 28868740 DFPJCPRGPLDTBA-UHFFFAOYSA-N 409.438 4.172 0 1 HIAF Cc1ccc2c(=O)c(C(=O)NC3CCC(C)CC3)cn(Cc3ccc(F)cc3)c2n1 35050289 CGYMBFMWBIJXCU-UHFFFAOYSA-N 407.489 4.201 0 1 HIAF COc1ccc(Cc2cc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)on2)cc1 40380471 YIMNGHGOUXRLMB-UHFFFAOYSA-N 420.465 4.023 0 1 HIAF O=C(N[C@H]1CCN(c2ccnc3ccccc23)C1)c1ccc(OC(F)(F)F)cc1 45334449 GDAHELGHVACZNQ-HNNXBMFYSA-N 401.388 4.142 0 1 HIAF CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3ccc(F)cc3)CC2)o1 53229045 WJJAYXPPVOEZSD-UHFFFAOYSA-N 422.548 4.345 0 1 HIAF Cc1ccc2c(c1)c(O)c(C1=CS(=O)(=O)c3ccccc3N1)c(=O)n2CCC1CC1 101656227 AVEUJPSFVWFQTK-UHFFFAOYSA-N 422.506 4.013 0 1 HIAF N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccc4Cl)nn23)C1 143711620 OYFIIXZMOKZCBZ-HNNXBMFYSA-N 419.920 4.116 0 1 HIAF CC(=O)c1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)cc1 144534163 PRUAYVZTRCAJTF-HXUWFJFHSA-N 405.454 4.072 0 1 HIAF CC[C@@H](C)C(=O)N1CCC[C@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167548665 WEQQVFKYQCOVRV-VGSWGCGISA-N 422.529 4.045 0 1 HIAF CC(C)=CCN1CC[C@]2(C)c3cc(O)c(I)cc3C[C@@H]1[C@H]2C 195256437 BWXORCIRGKQZPT-XVSDVWIESA-N 411.327 4.487 0 1 HIAF CC(C)(C)[C@@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)O)C(=O)Nc1ccccc1 213407595 BZZVTPZKPMXERH-UGKGYDQZSA-N 424.541 4.270 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)ncc3[nH]2)C[C@H]2CCCC[C@H]21 586958165 GTPJTEZMSCUROU-XWIAVFTESA-N 416.934 4.306 0 1 HIAF CS(=O)(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586961579 WDWUHWKMBFQZGY-NDEPHWFRSA-N 424.547 4.005 0 1 HIAF COc1cccc([C@]2(c3ccc(C(=O)O)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587444919 XHBBQSPLCGKOKB-NLFFAJNJSA-N 416.429 4.093 0 1 HIAF O=C(O)CC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568090 CRLWYTSTYRJGEK-OFNKIYASSA-N 408.381 4.253 0 1 HIAF COC(=O)c1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 587592355 YBNYGPYJVTXUAC-OFNKIYASSA-N 415.401 4.363 0 1 HIAF CN(C)c1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587656496 LSVLHKAMVXPREF-UHFFFAOYSA-N 405.404 4.096 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(N3CCOCC3)c2)N1 587716058 ITQXLSQIIXOQCM-FKIZINRSSA-N 423.301 4.188 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ncc[nH]2)N1 587736730 UAKYGAGMAYVIBK-WLRWDXFRSA-N 404.258 4.277 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCN(C)C)cc2)N1 587738541 BAPZIBXSSVQUJR-SZNDQCEHSA-N 421.354 4.326 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3cccn3)cc2)N1 587762636 YTFPOEKZIJDELS-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc(N2CCCCC2)n1 587764586 GFLMUIXQIUZWRV-BUXKBTBVSA-N 419.342 4.301 0 1 HIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587784421 GXSYANXXNZNGAU-OLZOCXBDSA-N 418.234 4.111 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793464 FIAYEJRQQORDTF-ZUOKHONESA-N 406.295 4.319 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccco2)(c2ccco2)N1 587830759 UMBNQVRLZOYEPE-NSPYISDASA-N 404.235 4.435 0 1 HIAF O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)n1nc2cc1Oc1ccc(F)cc1-2 587874317 UUYRNPUDQXQKQX-UHFFFAOYSA-N 413.714 3.969 0 1 HIAF Cc1sc2ncnc(SCC(=O)c3ccc(CNC(=O)C(C)C)o3)c2c1C 653730858 OBCZEYDEDZIPHU-UHFFFAOYSA-N 403.529 4.148 0 1 HIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3csc4cnc(Cl)nc34)N12 962658010 DURHHFNREVBJLL-UWJYYQICSA-N 424.913 4.081 0 1 HIAF Nc1sccc1[C@]1(c2ccccc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962775220 ZKNKMYFNUHMBAI-YLJYHZDGSA-N 402.441 4.268 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@@H]2[C@H]1CCCN1C(=O)OCc1ccccc1 963257597 LEFBRBLTCQQVBO-WIYYLYMNSA-N 400.906 4.337 0 1 HIAF O=C(NCc1cccs1)[C@@H]1Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1 1772620658 USWDSJOXUVAPKW-QFIPXVFZSA-N 415.518 4.044 0 1 HIAF COc1ccc(-c2nc3sccn3c2C(=O)c2cn(-c3ccc(F)cc3)nn2)cc1 1857616842 VETVNNZVTGORGT-UHFFFAOYSA-N 419.441 4.022 0 1 HIAF CCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NC1CCCCCCC1 1857749840 LWZZWCZCKSLZBX-UHFFFAOYSA-N 415.987 4.042 0 1 HIAF COC(=O)C1=CC[C@@H]2[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3C[C@H](O)[C@]2(C)[C@@H]1O 2356807704 YARKFTGSBUNBRA-QPZRCDKFSA-N 404.591 4.486 0 1 HIAF O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 2483193 BRGNLVQHRXZFCF-UHFFFAOYSA-N 420.440 4.040 0 1 HIAF COc1cc(NS(C)(=O)=O)ccc1Nc1c2c(nc3ccccc13)CCSC2 28754655 ABUQZRFRKKJIFJ-UHFFFAOYSA-N 415.540 4.148 0 1 HIAF Cc1nc(-c2cc(=O)[nH]c(-c3ccc(CN4CCCC(F)(F)C4)cc3)n2)cs1 23429742 ZWBZKNZIOZWXDV-UHFFFAOYSA-N 402.470 4.100 0 1 HIAF COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](OC)[C@@H](C)[C@H](C)C3)OCO2 2356774498 ZKZBCMSCGLVFNF-UYSIFFEZSA-N 414.454 4.344 0 1 HIAF O=C(Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1)c1ccccn1 66111606 ALIHXEMWTHYKGH-UHFFFAOYSA-N 412.232 4.441 0 1 HIAF COc1ccccc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC=C(C)C4=C[C@H]32)CC1 504379773 JYQVXEKPJQQPDT-NLVWIRSPSA-N 422.569 4.052 0 1 HIAF biogenic C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H]([C@@H](OC(=O)C(C)C)CC[C@H]1C)[C@H]2OC(=O)CC(C)C 14407423 GCXCMYAMTCXPDI-YDSCYRLQSA-N 420.546 4.068 0 1 HIAF biogenic CCOc1cccc2cc(-c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)c(=O)oc12 1911572090 LJCCDSXAZBHQFG-UHFFFAOYSA-N 423.396 4.031 0 1 HIAF CCOC(=O)n1c(=O)n(Cc2nc3ccccc3n2CCC(C)C)c2ccccc21 38142863 NTFWYSDSRPVSNZ-UHFFFAOYSA-N 406.486 4.252 0 1 HIAF C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O 219950736 PHSQDXKUQRUWOG-PXMSNCRXSA-N 400.556 4.180 0 1 HIAF in-vitro COc1ccc(-c2ccc3nnc(-c4ccc(OCCCN(C)C)cc4)n3c2)cc1 82082787 GMMKBZQRUPBVGM-UHFFFAOYSA-N 402.498 4.402 0 1 HIAF CCN(CC)CCNc1ccnc2[nH]c3ccc(I)cc3c12 45191539 POUMUBPOTYNBHC-UHFFFAOYSA-N 408.287 4.074 0 1 HIAF OC[C@H]1[C@@H](c2ccccc2)C2(CN(Cc3ccccc3F)C2)N1Cc1ccccc1F 95665051 JPUOYDWMQHLZGG-LOSJGSFVSA-N 420.503 4.180 0 1 HIAF NCCc1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1 149974278 CPDZWHKRBFMBCV-UHFFFAOYSA-N 415.312 4.379 0 1 HIAF COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5cccs5)c(=O)n4n3)ccc2c1 299862455 JRFRHWWGWXVBAN-QXGSTRBFSA-N 419.531 4.074 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586489 IMBWOGSDUYGHQC-ZAZRBRMASA-N 423.465 4.122 0 1 HIAF Cc1ccc(-c2nnc(SCc3nc4cc5c(cc4[nH]3)OC(F)(F)O5)n2C)cc1 586965297 IFUGGZDTWPARJU-UHFFFAOYSA-N 415.425 4.281 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)CC(C)(C)C)CC2)N1 587765379 BUJDNDHPSIDJPG-CYBMUJFWSA-N 411.359 4.376 0 1 HIAF COC(=O)[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587699494 KSYMFMNOIRGPQE-XTZNXHDOSA-N 412.686 4.192 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(N(C)C)n(-c3ccc(F)cc3)c1Cl)O2 587385870 VVDNITRCFVVXLC-QGZVFWFLSA-N 414.868 4.328 0 1 HIAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587065396 YWIJHBKBGIYAFG-UHFFFAOYSA-N 413.886 4.110 0 1 HIAF CCS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587608936 TZCGXNMFULLZMP-REWPJTCUSA-N 424.474 4.063 0 1 HIAF Cc1nc2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2cc1Br 587074795 ZMIGQDUHNBKBLX-UHFFFAOYSA-N 417.698 4.297 0 1 HIAF Cc1ccc(NC(=O)CSCCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586969861 APSYVMRJSXHDRL-UHFFFAOYSA-N 405.426 4.107 0 1 HIAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587193728 FMQFTRUHEYHKCA-GFCCVEGCSA-N 404.408 4.238 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)C4CCCC4)cc1)[C@@H](C2)C3=O 587447908 GFNKWFKKHPWHEF-WMZHIEFXSA-N 412.507 4.074 0 1 HIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586917778 UZBUPTSXIMLQLB-BTDLBPIBSA-N 410.783 4.193 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 587413536 ROVPOVAIAMVVCR-DHLKQENFSA-N 415.445 4.149 0 1 HIAF CC(C)CCn1cccc1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963138883 IOOXVIRTZGXGGR-SJORKVTESA-N 419.547 4.327 0 1 HIAF Cc1cc2c(cc1O)[C@](c1ccccc1)(c1cc(F)c(F)c(F)c1)N[C@H](C(=O)O)C2 963468666 IBWTVBSXVSSYBL-CVDCTZTESA-N 413.395 4.009 0 1 HIAF CCCNS(=O)(=O)c1ccc([C@]2(C)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962942631 FZISXGXEZGTZRZ-HXOBKFHXSA-N 411.571 4.044 0 1 HIAF C[C@H]1[C@H](/C=C/c2ccc(-c3cccc(F)c3)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(O)CC1(F)F 1772656992 PRPIXHLBIZPOEK-HCAPQHCESA-N 417.427 4.485 0 1 HIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)Cc3ccccc3)c2cn1)c1ccccc1 1772605242 VEOASNUUVGCNFD-OAHLLOKOSA-N 414.469 4.022 0 1 HIAF CCn1c(C(=O)N2CCC[C@@H](C(=O)NC3CCC(C)CC3)C2)cc2sccc21 5085288 GHNJJKJFQBKTSH-AQFXKWCLSA-N 401.576 4.270 0 1 HIAF O=C(Nc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1)N1Cc2ccncc2C1 166435501 HXWPTEAIVHCTGQ-UHFFFAOYSA-N 418.419 4.044 0 1 HIAF Cc1cccc(C(=O)NC2CCN(c3nc(C)cc(Nc4ccc(F)cc4)n3)CC2)c1 1857750656 UHNNBXKTCQAVHV-UHFFFAOYSA-N 419.504 4.375 0 1 HIAF Cc1sc2ncnc(N(C)C3CCCCC3)c2c1S(=O)(=O)N1CCC(C)CC1 4799584 KIMARKLTEMVCDP-UHFFFAOYSA-N 422.620 4.189 0 1 HIAF COc1ccc(C2=C(C(=O)O)[C@H](c3ccc4c(c3)OCO4)Oc3ccccc32)cc1 13473350 CFNXHTFSBOPIFW-QHCPKHFHSA-N 402.402 4.444 0 1 HIAF Cc1oc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1-c1ccccc1 26580072 KUBAVMBHLOAZNM-GOSISDBHSA-N 408.479 4.166 0 1 HIAF Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc12 28568551 KJGBRJCGHINNNU-YADHBBJMSA-N 402.542 4.283 0 1 HIAF O=C(O)c1cccc2nc(-c3n[nH]c4ncc(-c5cncc6ccccc56)cc34)[nH]c12 28950079 JGSTUMYDBLTVRO-UHFFFAOYSA-N 406.405 4.415 0 1 HIAF CN(CCOc1ccc(-c2ccc3c(c2)CCO3)cc1-c1cccs1)CC(=O)O 28958421 NVKUTOGLKPEMHJ-UHFFFAOYSA-N 409.507 4.412 0 1 HIAF CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3Br)N2C1=O 49792469 CPHUMYXSRBIEDQ-MJGOQNOKSA-N 424.298 4.229 0 1 HIAF CC[C@H](C)Nc1ncc(C(=O)NCCOC)c(-c2ccc(-c3ccccc3)cc2)n1 82159413 KKAIBLGGNZZDKO-KRWDZBQOSA-N 404.514 4.397 0 1 HIAF COc1ccc(C[C@H]2C[N+]3=C(NC[C@H]3CC3CCCCC3)N2CC2CCCC2)cc1 141585480 LTOSYUMARDRUGJ-RPWUZVMVSA-O 410.626 4.423 0 1 HIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccccc3N)CC[C@H]12 261077299 BCKQSIZBCMVWRU-LOPNTNTNSA-N 407.558 4.121 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)nc3[nH]2)C[C@@H]2CCCC[C@H]21 586958898 IYYDDGYGSLZBFD-XKQJLSEDSA-N 416.934 4.306 0 1 HIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc(Br)c2[nH]1 586972182 DJYXPFSVOQJOPV-INIZCTEOSA-N 404.333 4.436 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587037873 ZTSYRUGAIDBQGI-AWEZNQCLSA-N 421.316 4.420 0 1 HIAF C[C@@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173393 ZOZAPYCSZIYDAA-INIZCTEOSA-N 415.293 4.379 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)c(C)nn1[C@@H]1CCCCO1)O2 587377632 OHPURAPFQLJZEC-CVEARBPZSA-N 420.307 4.250 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(C[C@@H]1COCCN1C(=O)OC(C)(C)C)CC2=O 587475487 MIAHTIHPPOITMF-IQMFZBJNSA-N 419.518 4.095 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)c(O)c1 587555717 LTSNZJUFAGTCFY-YLJYHZDGSA-N 400.333 4.402 0 1 HIAF CCCOc1cccc(Cc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1 587568438 LVAKUSOERAHCQP-UHFFFAOYSA-N 403.276 4.492 0 1 HIAF COc1ccccc1O[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658314 KZLNBTJAQBCRBP-OAHLLOKOSA-N 418.424 4.319 0 1 HIAF CCOC(=O)CC[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587767939 BWUSWKXZBMLQRA-RBZFPXEDSA-N 421.310 4.104 0 1 HIAF COc1cc(OC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587811337 ZADMJNORKYVJNB-GIGQVBGESA-N 410.283 4.238 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)([C@@H](O)c2ccco2)N1 587829737 RDQKPXLHGYBAHK-VMKIBOBSSA-N 406.251 4.286 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N(C)C)nc2Cl)N1 587850895 FZSWGPIODPXFRU-JVXZTZIISA-N 404.736 4.388 0 1 HIAF COc1ccc2c(c1OC)[C@H](c1ccc(O[C@@H](C)C(=O)O)c(Cl)c1)N(C)[C@@H](C)C2 962642215 YWBIFOLEGAGBLZ-QAJFTPDKSA-N 419.905 4.175 0 1 HIAF CCOc1ccc(C(=O)[C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OCC 962767739 QNDMEVRFBUIVGD-QFBILLFUSA-N 421.415 4.054 0 1 HIAF O=C1Nc2ncccc2C12CCC1(CC2)c2ccsc2CCN1Cc1cccnc1 962996375 JOKURERMNUJCTH-UHFFFAOYSA-N 416.550 4.256 0 1 HIAF CC(C)(C)OC(=O)N1CCC2(CCCC[C@]23NCCc2c(C(=O)O)cccc23)CC1 963124567 RMOVWTSVRRORQR-XMMPIXPASA-N 414.546 4.317 0 1 HIAF Cc1c(O)ccc2c1[C@H](c1cc3ccc(Cl)cc3nc1Cl)N[C@H](C(=O)O)C2 963471343 NVCRFXHGKIATDE-YJBOKZPZSA-N 403.265 4.244 0 1 HIAF Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963509323 MJHBYTTZWJDGLV-RKPBBICVSA-N 422.569 4.238 0 1 HIAF CC(C)(C)OC[C@@H]1N=C(c2ccccc2)c2ccccc2N(CCCCC(=O)O)C1=O 1772634608 LKPFAXOZHJEKDP-FQEVSTJZSA-N 422.525 4.309 0 1 HIAF Cc1ccccc1O[C@@H]1CCN([C@H](C)c2nc(O)c3cnn(C4CCCC4)c3n2)C1 1772641590 WACOUQHGZIVPDS-SJLPKXTDSA-N 407.518 4.170 0 1 HIAF CC(=CCc1c(O)cc(C)c(C(=O)O)c1O)CCC[C@@](C)(O)CCCC(C)(C)O 2356324387 QXGWCTXZXLYARW-HSZRJFAPSA-N 408.535 4.456 0 1 HIAF CC(=CCCC(=CC[C@@H]1OC(=O)C=C1CO)CO)CC[C@@H]1C(C)(C)CCC[C@]1(C)O 2356388358 BYAXMGMKQCMKDN-FBLLAGFSSA-N 420.590 4.223 0 1 HIAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2cccc(Br)c2)cc1OC 6006758 UOYVNYXGIOTHLU-DOTOQJQBSA-N 405.288 4.041 0 1 HIAF C[C@@H](SC(=S)N1CCCCC1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 6491484 PBEKGYULFSLLNO-LLVKDONJSA-N 410.952 4.221 0 1 HIAF Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1C=Cc3c(c4ccccc4n(C)c3=O)[C@H]21 14588133 DDSKJOGDKJUJHO-XMSQKQJNSA-N 424.500 4.336 0 1 HIAF biogenic,in-vitro CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2O)n1 16051715 ZSOXFJURLPCSOO-UHFFFAOYSA-N 423.400 4.196 0 1 HIAF in-vivo CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 26378989 YRYAWQYFBMYJNY-HSZRJFAPSA-N 408.461 4.056 0 1 HIAF CC[C@@H](C)[C@]1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26495078 FITCWRIVYPXAGO-CFJRQAHESA-N 424.497 4.284 0 1 HIAF O=C(N[C@H]1CCCN(Cc2ccc3c(c2)OCO3)C1)c1cc(Cl)cc(Cl)c1 28460477 KNMAQJJONKQGFX-KRWDZBQOSA-N 407.297 4.117 0 1 HIAF CC(C)N1CCC[C@@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1 28862380 FYWUYEAPDIKEAN-QGZVFWFLSA-N 401.507 4.054 0 1 HIAF COCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 28901018 JJHHXMMEZIIKRB-UHFFFAOYSA-N 402.433 4.156 0 1 HIAF C[C@H]([C@@H](O)c1ccc(O)c(C(C)(C)C)c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952047 YFUQTKXRMIUUCZ-OPAMFIHVSA-N 401.522 4.234 0 1 HIAF FC(F)(F)c1ccccc1-c1ccc2ncnc(NCCN3CCOCC3)c2c1 33362327 QIPPZSCUQITZPT-UHFFFAOYSA-N 402.420 4.060 0 1 HIAF CCOC(=O)N1CCc2cc(OC)c(OCC)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2 72178436 DOOFUDMOVBRYNQ-INIZCTEOSA-N 411.454 4.101 0 1 HIAF CN(CCc1ccccc1)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 73196726 MVOCZHVZPVWESH-XMMPIXPASA-N 417.549 4.416 0 1 HIAF CCCCN1C(=O)N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223915 WUQWDDFUUHHMOQ-KBMIEXCESA-N 415.493 4.392 0 1 HIAF COC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82081110 FWJVIZUFJCWYLF-FQEVSTJZSA-N 400.434 4.009 0 1 HIAF COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC(C)(C)O2 82177666 PZQCGOPOEBSHGX-NRFANRHFSA-N 414.521 4.027 0 1 HIAF CC(C)c1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@H]1CCCN1C 82180036 DIJYTQNWVCLQFW-HXUWFJFHSA-N 406.578 4.479 0 1 HIAF COc1ccc(CC2(Cc3ccc(OC)cc3)C(=O)Nc3ccccc3[C@@H]2O)cc1 169346086 URAJSHWKOOPDIF-QHCPKHFHSA-N 403.478 4.161 0 1 HIAF CN(C)CCNC(=O)c1cc(-c2ccc3c(c2)CC[C@H]3N=O)c(-c2ccncc2)o1 169686187 TWWYSBDKJOLFJP-HXUWFJFHSA-N 404.470 4.054 0 1 HIAF CC(C)[C@H](CO)NCc1nc(-c2cccc(C(=O)N(C(C)C)C(C)C)c2)ccc1F 204406152 JJGAZXRYIVFLTR-QHCPKHFHSA-N 415.553 4.253 0 1 HIAF COc1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1OC 586921055 BIKXHGZXGFGZGU-UHFFFAOYSA-N 408.479 4.221 0 1 HIAF Fc1c(F)c(F)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1F 587004013 ZKSXVKABUNZGBZ-UHFFFAOYSA-N 413.172 4.474 0 1 HIAF Brc1ccc2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cn2c1 587006435 NNAAGUSDAPQRJQ-UHFFFAOYSA-N 411.303 4.077 0 1 HIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc4c(cc3[nH]2)OCCO4)cs1 587019673 TXOTWRYGYMIBGJ-UHFFFAOYSA-N 407.455 4.025 0 1 HIAF Oc1nc(O)c2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2n1 587064204 ONGXGHWNYFDGLD-UHFFFAOYSA-N 421.844 4.118 0 1 HIAF Clc1ccc(-n2cc(-c3nc4cccc(I)c4[nH]3)nn2)cc1 587074951 BVAJYDXKGGQKOQ-UHFFFAOYSA-N 421.629 4.069 0 1 HIAF Cc1cc(Br)cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194287 PINJJFWFUNZAOY-ZDUSSCGKSA-N 411.344 4.151 0 1 HIAF COc1cccc(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2Cl)c1 587369096 UPGMEKBNUNXJEX-UHFFFAOYSA-N 409.829 4.344 0 1 HIAF CCOC(=O)CCCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439661 CBDQIKXYNKKSHU-NTKDMRAZSA-N 410.466 4.080 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)CC1(F)F)CC2=O 587468660 YZQXQTSZHOENSE-FQEVSTJZSA-N 411.445 4.325 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1cc(C)ccc1C)CC2=O 587481490 MVQGGKPNIZYQRC-VWLOTQADSA-N 424.493 4.345 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1N1CCOCC1 587555919 HWUOAYBXLDAMHZ-HYBUGGRVSA-N 421.424 4.071 0 1 HIAF CC(=O)N(c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1)C1CC1 587609449 CANQYPIJQPKTFQ-WIYYLYMNSA-N 422.462 4.067 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)c(Br)c2)N1 587675920 BLNCZDDBTQISDE-UOWDBTKRSA-N 416.088 4.075 0 1 HIAF CC(=O)NCCc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587753519 HMNQWPOLDOCWEN-ASSNKEHSSA-N 419.338 4.065 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cnccc12 587780274 ZRNXQEUOUYNXDB-YTEVENLXSA-N 423.285 4.354 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCC(=O)O)cc2)N1 587791390 IAXKSJBHMVVVQW-ODXCJYRJSA-N 422.294 4.239 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=S)N(C)C)cc2)N1 587847789 YHTOKTPAGRGFNX-BBATYDOGSA-N 423.351 4.437 0 1 HIAF COc1ccc(-c2ccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c(O)c2)cc1OC 587928018 VYRLFDJMOTVARV-UHFFFAOYSA-N 424.478 4.023 0 1 HIAF COc1ccccc1CNC(=O)C[C@]1(C)c2ccsc2CCN1Cc1cccnc1 963002654 CUCZFGYWADDYBH-XMMPIXPASA-N 421.566 4.132 0 1 HIAF CCn1c([C@](O)(c2ccccc2F)c2ncccc2C)nc2ccc(CCCO)cc21 1857618209 VGWUCTPBTYUTCW-VWLOTQADSA-N 419.500 4.108 0 1 HIAF CN(CCN=c1ccc2ccccc2[nH]1)CCNc1ccnc2cc(Cl)ccc12 1857764792 BNOGIQWAHLZCTQ-UHFFFAOYSA-N 405.933 4.314 0 1 HIAF O=C1CN(Cc2cccnc2)[C@H](c2ccccc2)c2cc(Br)ccc2N1 1911573391 WWURHWBXNVUXII-OAQYLSRUSA-N 408.299 4.388 0 1 HIAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNCc1c[nH]c2ccccc12 2356299803 OMJJSVBAGHRXAL-QUURXOELSA-N 417.509 4.064 0 1 HIAF CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(F)cc2F)cc1 836800 WVUNEFGHRUQCAO-UHFFFAOYSA-N 402.344 4.444 0 1 HIAF C[C@@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4045069 KRAMBMDTHQGLIN-AECOYVPUSA-N 421.472 4.454 0 1 HIAF O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4205973 VXPXBZOOLVKWLF-ICSRJNTNSA-N 417.962 4.095 0 1 HIAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295883 PHFXWLKDVFDSCF-OXTQRCDGSA-N 418.896 4.094 0 1 HIAF CCCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3cc(C(=O)O)ccc23)cc1 14978354 CUKOCBHCESJXGD-UHFFFAOYSA-N 414.527 4.120 0 1 HIAF Cc1ccccc1[C@@H]1CCCC[C@@H]1N1CCC2(CC1)C(=O)NCN2c1ccccc1 28566953 AXQWGBWNCNPFTF-ZEQRLZLVSA-N 403.570 4.450 0 1 HIAF C[C@]1(c2ccccc2)C(=O)Nc2cc(Br)cc(Br)c2C1=O 28977892 FTFCLURVGKMMQL-MRXNPFEDSA-N 409.077 4.304 0 1 HIAF CC[C@@H]1CCC[C@H](C2(Cc3noc(C)n3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 29038585 AFANGSZMNLRLKU-SJLPKXTDSA-N 423.966 4.376 0 1 HIAF COC(=O)c1cc(-c2cc(OC)ccc2OC)c2c3cc(OC)c(O)cc3ccn12 35817232 JJHVEGWQISHZEM-UHFFFAOYSA-N 407.422 4.278 0 1 HIAF Cc1ccc2c(c1)C(=O)N(CCOC(=S)Nc1ccc(Cl)c(Cl)c1)C2=O 40913851 QTFCQIQJCSUAGQ-UHFFFAOYSA-N 409.294 4.311 0 1 HIAF COc1ccc2c(c1)c(CC(=O)O)c(C)n2C1CCN(CCc2ccccc2)CC1 45261226 DXNUIBCMTKSGTM-UHFFFAOYSA-N 406.526 4.465 0 1 HIAF CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2cccc(/C(F)=C\C3CC3)c2)C1=O 59050911 SQRMALBFLFFPQZ-OJHVLRHSSA-N 415.415 4.248 0 1 HIAF Cc1ccc(CNC(=O)CCCn2c3c(c4ccccc42)C(=O)CN2CCCC[C@H]32)o1 96901296 RFGDCZSDYVEACY-OAQYLSRUSA-N 419.525 4.363 0 1 HIAF CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Nc4cccc(F)n4)CC3)ccc21 143635860 SBXHAOOYZCFMGG-SHTZXODSSA-N 412.465 4.319 0 1 HIAF Cc1c(CC(=O)O)cnn1Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 168909065 NOIHLFDLMQUIGH-UHFFFAOYSA-N 418.280 4.426 0 1 HIAF Cc1ccc(N2CCc3ncnc(N(C)Cc4ccc(C(F)(F)F)cc4)c3C2)nc1 202610669 ISDDFWDEUOJXLS-UHFFFAOYSA-N 413.447 4.398 0 1 HIAF O=C(NC1CCCCC1)c1cc2cc(Br)cc(OCC3CC3)c2oc1=O 211010340 ZGERPQYLMALGRP-UHFFFAOYSA-N 420.303 4.407 0 1 HIAF Oc1c(Br)ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587007053 LDNGBKRZWLIDRR-UHFFFAOYSA-N 408.053 4.337 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(COc3c(C=O)cc(Cl)cc3OC)nc2c1 587064858 HRAJNKBLULQYSV-UHFFFAOYSA-N 409.225 4.056 0 1 HIAF Cc1cnc2[nH]c([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2c1 587218072 GPZHKDATTPMNAJ-QGZVFWFLSA-N 424.501 4.356 0 1 HIAF NC(=O)Nc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 587243252 HVFUIOLFNOTALW-UHFFFAOYSA-N 415.169 4.382 0 1 HIAF C[C@@H]1CCCCN1C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346567 RWUGPMHXDMPTMF-NFKSOIJDSA-N 411.473 4.440 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3cccn3)c(Br)c1)O2 587375102 CECVMDUQXSSBIW-HXUWFJFHSA-N 412.287 4.406 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@](C(=O)C(C)C)([C@H](C)CC(=O)O)CC[C@H]1C)O2 587409890 XKHGLKCXTYTJPD-ICQFYHOOSA-N 415.530 4.424 0 1 HIAF COC(=O)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505074 UCGXOSWMCJHKKH-NRFANRHFSA-N 415.283 4.362 0 1 HIAF Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587515026 IEICJUDJSRJJFQ-VWLOTQADSA-N 416.477 4.313 0 1 HIAF CCn1ncc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538420 DUBJELIVOYJHFP-KXBFYZLASA-N 415.243 4.074 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)c(F)c1 587556157 VEYREIFLEDDHCN-NFBKMPQASA-N 402.381 4.420 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CCN(C(=O)OC(C)(C)C)C2)N1 587771272 FVMMYMPHCBCPOL-CWTRNNRKSA-N 411.315 4.125 0 1 HIAF O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1c[nH]cc(Br)c1=O 587942526 ZQYMMLZUMVJEPC-UHFFFAOYSA-N 421.678 4.266 0 1 HIAF COc1c(Cl)cccc1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962703390 IRXNOYUWVPUACL-LSDHHAIUSA-N 403.759 4.195 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2cc(Cl)cc(Cl)c2)(c2ccccn2)N1 962892698 GSJRZPDQLPQJOX-GHTZIAJQSA-N 417.267 4.418 0 1 HIAF CC[C@@]1(c2ccc(Cl)c(Br)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962925489 VELKWBOHFUHDRO-WMZOPIPTSA-N 412.686 4.494 0 1 HIAF CCOc1cc(N2CC(n3c(O)nc4cc(C(F)(F)F)ccc43)C2)ncc1Cl 1857560107 NZLMUQCTMIEJLA-UHFFFAOYSA-N 412.799 4.269 0 1 HIAF CC(=O)O[C@@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@@H]3C=C(C)CC[C@@H](OC(C)=O)[C@]21C 2356498647 ZJOXMWJKQWLNFX-PIIZRUITSA-N 416.514 4.194 0 1 HIAF CC[C@@H]1O[C@H](OC)[C@](C)(C=CC=CC=CC=Cc2oc(=O)cc(OC)c2C)[C@]1(C)O 2356717800 XJLVGLQWWKSJQC-TWDDROGUSA-N 416.514 4.177 0 1 HIAF O=C(N[C@H]1CCCCN(Cc2cccc(F)c2)C1=O)c1cccc(C(F)(F)F)c1 199408148 FUEHFFQIPCRGIX-SFHVURJKSA-N 408.395 4.156 0 3 HIAF COc1cc(C)c(CN2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)cc1C 12031131 HDSVSPVHIPDKFM-RUZDIDTESA-N 404.510 4.183 0 1 HIAF COc1cc([C@@H]2COc3cc(OC)c4c(c3[C@@H]2O)CCc2cc(O)ccc2-4)ccc1O 13378527 DARDHUFDRYDZMZ-AVRWGWEMSA-N 420.461 4.090 0 1 HIAF biogenic Cc1ccc(C(=O)Cn2/c(=N/S(=O)(=O)c3ccccc3)sc3ccccc32)cc1 28528592 FLBQBVQPIHOUEG-FCQUAONHSA-N 422.531 4.184 0 1 HIAF Cc1cccc(-c2nc(CCOc3ccc(C[C@]4(C(=O)O)CCCO4)nc3)c(C)o2)c1 34717814 QEQCZUPXQNXGFY-DEOSSOPVSA-N 422.481 4.151 0 1 HIAF COc1ccc(-c2c(C)nn3c(N[C@@H](C)Cc4nnc(C)o4)cc(C)nc23)c(C)c1 38268416 AAWLWIAKLNIQGZ-AWEZNQCLSA-N 406.490 4.065 0 1 HIAF CN(C(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1)c1ccccc1 40898288 XEDTWCUYGFCJCQ-UHFFFAOYSA-N 410.528 4.471 0 1 HIAF O=C1C=C(C(F)(F)F)[C@H]2C=C(N(Cc3cccs3)CC(F)(F)F)C=C[C@@H]2N1 58509165 SDJYYRIQPGVPOF-OCCSQVGLSA-N 408.367 4.169 0 1 HIAF NCCCCC(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 73219773 OTBZVPVWQSZMJV-QHCPKHFHSA-N 403.526 4.025 0 1 HIAF COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 82145243 AOUCHGVBSUVBDR-OFCAXSSNSA-N 422.573 4.311 0 1 HIAF O=C(NC1CCCCC1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccccc2F)cs1 82192195 YBJJIJXQQKZJQH-SFHVURJKSA-N 413.522 4.144 0 1 HIAF COc1cc(CNC[C@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)ccc1O 95557737 FXXPZWXWDFQOMO-LFRPXUGBSA-N 411.498 4.033 0 1 HIAF Cc1nn(Cc2cccc(NC(=O)c3c(F)cccc3Cl)c2)c(C)c1CC(=O)O 96923968 LDUYMYQJYRLRRW-UHFFFAOYSA-N 415.852 4.220 0 1 HIAF COc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)cc1 100108332 HTJGGCMAZSVROT-BKFWDETESA-N 402.469 4.081 0 1 HIAF CC(C)(C)n1ncc(OCc2nnc(-c3ccc(Cl)cc3F)o2)c(Cl)c1=O 103215893 BHTBYRSTMULLFL-UHFFFAOYSA-N 413.236 4.073 0 1 HIAF COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 103294991 JBWUQPZVHSZQCI-QGZVFWFLSA-N 422.337 4.434 0 1 HIAF Cc1nnc(-c2cc(F)c(C)c(-c3ccc4c(c3)NC(=O)C43CCC(C)(O)CC3)c2)[nH]1 115621889 XSNJKCGVTIBHOK-UHFFFAOYSA-N 420.488 4.410 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc3ccccc3s2)cc1 169303040 HWZPKIGQWWDBPH-UHFFFAOYSA-N 424.507 4.053 0 1 HIAF CN(c1nc2cc(F)ccc2o1)[C@H]1CCc2c(CC(=O)O)c3cc(F)ccc3n2C1 203540764 LQLWDVDNKZVRLG-AWEZNQCLSA-N 411.408 4.139 0 1 HIAF Cc1nn(C2CCC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220301488 RLAHXCWDADVADO-HXUWFJFHSA-N 422.916 4.327 0 1 HIAF Cc1cncc(-c2ccc3[nH]nc(-c4cc(N5C[C@H](C)O[C@H](C)C5)ncn4)c3c2)c1 225573817 NHOJRFDBLXHXBS-IYBDPMFKSA-N 400.486 4.004 0 1 HIAF CC(C)=CCc1c2c(c3oc(-c4ccc(O)cc4)cc(=O)c3c1O)C[C@@H](C(C)(C)O)O2 238755971 VISBMXINDVOGOS-FQEVSTJZSA-N 422.477 4.454 0 1 HIAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@H]3NC(=S)NC(=S)[C@H]32)cc1 299807753 XXEYLJLVKQNJRK-WSTZPKSXSA-N 406.532 4.120 0 1 HIAF CCOc1cc(/C=C/c2nc3ccc(C(N)=O)cc3[nH]2)cc(Br)c1OC 586976603 AZEHNBIPPCBZFF-QPJJXVBHSA-N 416.275 4.002 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586993846 JXERKROAFMVTSP-UHFFFAOYSA-N 401.443 4.222 0 1 HIAF N[C@@H](N=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587183252 BVQSCZIDKBKOCI-OUOZUETKSA-N 404.211 4.062 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 587327946 IPYRZKHDWUWSOJ-SIKLNZKXSA-N 409.800 4.391 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCN(c4ccccc4)CC3)s1)O2 587412135 HHQOVVIWKMVOCC-FQEVSTJZSA-N 420.538 4.067 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(Br)cc(C)cc41)[C@@H](C2)C3=O 587416924 GHTFTARNSYXSGG-RBZFPXEDSA-N 401.256 4.192 0 1 HIAF COc1cc2c3c(c1)O[C@@H]([C@@H]1Cc4ccccc4CN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587437624 LCNQDMRGBBNCGS-SFYKDHMMSA-N 421.493 4.173 0 1 HIAF CCOC(=O)COc1ccc2ccccc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439193 KJGBHBKOKAYKMU-CJAUYULYSA-N 418.445 4.279 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)CC(F)F)cc1)CC2=O 587468643 YVNSBMXDFSAHQO-NRFANRHFSA-N 424.465 4.264 0 1 HIAF CCOC(=O)C[C@@]1(c2n[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587524015 JFSVGLCAJFPSEC-XMMPIXPASA-N 404.466 4.256 0 1 HIAF C[C@@]1(c2ccc(N3CCCC3)nc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573526 ZEHXZXLGVUYAQZ-YKSBVNFPSA-N 420.440 4.404 0 1 HIAF CN1CCCc2cc(C=O)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 587591432 FJEVNANGEDFZFN-PXDATVDWSA-N 415.445 4.290 0 1 HIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnc(-c2ccccn2)s1 587660379 BZQMPLSEPNRSPS-UHFFFAOYSA-N 401.426 4.105 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(CCC(F)(F)F)CC2)N1 587709869 OJXJFMGVERQGAG-LLVKDONJSA-N 409.265 4.366 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)NC3CC3)cc2)N1 587742139 JOYDSMVQDJRLBI-JEOXALJRSA-N 403.295 4.104 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c3nc(O)ccc23)N1 587776461 CWNUPWABWIBWQK-FVINQWEUSA-N 417.278 4.345 0 1 HIAF CSc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)n1 587842741 FXBOFBLNAGYCMO-WPPNPWJKSA-N 402.720 4.377 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)Nc1cccc(C)c1 587862562 RSYFEKPEKIHTHX-UHFFFAOYSA-N 403.360 4.165 0 1 HIAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccc(N)cc3)c2O)n1 587945330 NANZMYOPKRIQCH-UHFFFAOYSA-N 424.457 4.359 0 1 HIAF O=C(COc1ccc(C(=O)c2cccc(Br)c2)cc1)Nc1cccnc1 653810867 GIKSUBVAYOKLKE-UHFFFAOYSA-N 411.255 4.093 0 1 HIAF C[C@]1(Cc2cccc(OCc3ccccc3)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962900623 RSKZIFWHXUFEDJ-WIOPSUGQSA-N 405.469 4.462 0 1 HIAF CC[C@]1(c2ccc(Cl)c(Br)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962925486 VELKWBOHFUHDRO-FUHWJXTLSA-N 412.686 4.494 0 1 HIAF CC[C@H](O)c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(C)cc(C)nc1O)CC2 1772613520 WURAHCIARFZBPX-INIZCTEOSA-N 409.313 4.353 0 1 HIAF CCC(=O)N(Cc1ccco1)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356829582 JAAXLVHYUNKARR-HSZRJFAPSA-N 406.482 4.085 0 1 HIAF CCc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C)C(=O)c1ccc(C)cc1 61927963 JPBUZLGXNHWOJS-UHFFFAOYSA-N 407.514 4.476 0 3 HIAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 72139605 NXALNJDSPBFCFY-JOCHJYFZSA-N 413.539 4.354 0 3 HIAF Cc1cc(C)c(S(=O)(=O)NCc2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1 6769229 INODJBNRPVHEHO-UHFFFAOYSA-N 414.571 4.153 0 1 HIAF CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13736742 RZINJLAVRWFBLD-UHFFFAOYSA-N 401.466 4.481 0 1 HIAF CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](O)C(C)(C)C 14020367 XHPNYYOUZWOWNT-FUHWJXTLSA-N 411.554 4.012 0 1 HIAF NCc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 29480057 PTFKGSOWHVNQEL-PKNBQFBNSA-N 406.848 4.202 0 1 HIAF Clc1ccccc1Cc1noc(-c2cn(CCN3CCOCC3)c3ccccc23)n1 40430404 CNKBVNMRAAYLLG-UHFFFAOYSA-N 422.916 4.268 0 1 HIAF CC1=C(CC/C(C)=C/CC/C(=C\C[C@@H](O)C2=CC(=O)O[C@H]2O)CO)C(C)(C)CCC1 40943468 KSNNYMFBQQASJN-KUNPSBAASA-N 418.574 4.491 0 1 HIAF in-vitro CCOP(=O)(OCC)C(F)(F)CCCCCCc1c[nH]c2c(=O)[nH]c(N)nc12 45335440 YQNJUMKKHIZTJF-UHFFFAOYSA-N 420.397 4.185 0 1 HIAF NCCCCCNc1nc(Nc2cccc(F)c2)nc(-c2cc(F)cc(F)c2)n1 45358721 NLMPKKMBKUUITD-UHFFFAOYSA-N 402.424 4.240 0 1 HIAF O=C(O)c1ccccc1SCCOCCOCCSc1ccccc1C(=O)O 68600028 DFQVNWOFOGAYDT-UHFFFAOYSA-N 422.524 4.001 0 1 HIAF biogenic CC1(C)CCN([C@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)C(=O)c2cnn(-c3cccc(F)c3)c21 101668400 XTLVGBFNINDOSV-HJPZMGHTSA-N 423.532 4.075 0 1 HIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 104083731 JTJCTZZQNZOJNB-PGRDOPGGSA-N 410.514 4.283 0 1 HIAF CN(C)Cc1ccc([C@H]2Nc3cc(F)cc4c(=O)[nH]nc(c34)[C@H]2c2ccccc2)cc1 118621372 AYGBRSIXAPSSRF-JTHBVZDNSA-N 414.484 4.423 0 1 HIAF Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OC[C@@H]3CCCNC3)cc12 205260167 FCRIHMREFBZVTE-OAHLLOKOSA-N 403.461 4.204 0 1 HIAF CCOc1cc(/C=C\c2nc3cc(N)c(N)cc3[nH]2)cc(Br)c1OC 586977831 JIBRUWWREVMEJA-PLNGDYQASA-N 403.280 4.068 0 1 HIAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 587050544 OXKSGVNDBYBKCA-UHFFFAOYSA-N 408.639 4.302 0 1 HIAF O=C1C[C@]2(C[C@H](c3ccccc3)N1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343276 BAUYKGPXJKTVCT-PBXXJUDPSA-N 417.436 4.280 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc4c(cc32)OCO4)[C@@H]1c1ccc(F)cc1 587361203 YCZHQZZGLQBCQV-ISKFKSNPSA-N 404.393 4.461 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccc(F)cc1C(=O)O)O2 587384422 CXINHLIPNHRRTK-QHCPKHFHSA-N 409.388 4.463 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCCC[C@H]1CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433595 SKUGJBLUKKKBDJ-WSZRMNBISA-N 401.503 4.286 0 1 HIAF COC(=O)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445389 YMKFZEYMZISWNX-CJFMBICVSA-N 400.430 4.173 0 1 HIAF COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc4c(C)c(C)c(=O)oc4c1)[C@@H](C2)C3=O 587454529 UFSWCSSDGITHJQ-SSDBVHDXSA-N 420.461 4.392 0 1 HIAF O=C(O)/C=C/C1=COc2ccc(F)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587510945 ZGBPGZYODYEQFX-JHEAYKPVSA-N 406.409 4.482 0 1 HIAF O=C(O)CC[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569772 JFVLGORJRGBERP-OFNKIYASSA-N 408.381 4.253 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598819 VKEOQLSHLIJQDC-YKSBVNFPSA-N 404.418 4.121 0 1 HIAF CCOC(=O)Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599664 YRXRCZUWMXATMJ-RDGATRHJSA-N 418.445 4.375 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccc(Cl)nn23)N1 587706921 SOXKQHVGTRHEHW-VVVCHXIZSA-N 409.690 4.082 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cnc(N)nc2)N1 587748091 ULJAASUMRQAWJC-NSPYISDASA-N 413.294 4.251 0 1 HIAF COc1ccccc1-n1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587761169 STOMVEKKAOVOOI-ODXCJYRJSA-N 416.294 4.406 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1cccnc1-c1ncccc12 587778386 MRKSRKBLDVKKLK-WIUDPPPLSA-N 424.273 4.019 0 1 HIAF COC(=O)c1cccc2c1CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587807610 MDKKMNSCTSHEPT-BIBXISHDSA-N 404.279 4.099 0 1 HIAF CCS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587849469 LVVSIVYTBJSCMY-ZMZPIMSZSA-N 412.324 4.005 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Br)n2)N1 587853088 OUXLFDSSHZPISL-PWCHPLFNSA-N 406.118 4.431 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)sc3c2CCN(C)C3)N1 587854701 RYSJKLHLWXLRMJ-OVWNDWIMSA-N 424.383 4.018 0 1 HIAF O=C(Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O)Nc1ccccc1 653710314 TYLOSEVBGMRKKT-UHFFFAOYSA-N 402.281 4.406 0 1 HIAF CC(C)(C)OC(=O)N1CCC(=O)[C@@H]([C@H]2NCCc3cc(-c4ccccc4)ccc32)C1 962659277 BPLWWZDUBCYVQX-GMAHTHKFSA-N 406.526 4.367 0 1 HIAF CCOC(=O)CCC(=O)Nc1ccc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963101877 MIWNBZNQHSSMNX-BWKNWUBXSA-N 424.516 4.392 0 1 HIAF c1cc(-c2ccc(Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2)on1 1772637982 HBMHAKLSXFYMKT-UHFFFAOYSA-N 405.506 4.251 0 1 HIAF COC/C=C/c1ccc(O[C@@H](C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 1857538947 PFFKZCDUUSFDCH-KIUWMYQTSA-N 416.470 4.031 0 1 HIAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1Cc1ccccc1Cl 1911570444 IBDMEASLCIGVQS-KRWDZBQOSA-N 411.716 4.454 0 1 HIAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)C[C@@H]3[C@H](C)CC[C@@H]4C5=C(C(=O)O[C@@H]5C[C@@H]4C)[C@]3(O)C[C@H]12 2356334595 JZCCXPJAWWWRFI-ISTWUNKVSA-N 402.575 4.095 0 1 HIAF CC(C)CNC(=O)[C@@H]1[C@H]2C=C[C@@H]3[C@H]4[C@@H]2[C@H](CCCc2ccc5c(c2)OCO5)[C@H]4C[C@H]31 2356368717 MZNYKIXDEPFZJF-OKJJPDGESA-N 407.554 4.441 0 1 HIAF CC(C)[C@@H]1CC[C@]2(C)[C@H](O)[C@@H]3[C@H](C)CC[C@@]45[C@H](CC[C@H]4C)[C@]5(C(=O)O)[C@]3(O)C[C@H]12 2356429429 UNEUBHPEGNVSJI-LVLJCXRDSA-N 404.591 4.334 0 1 HIAF Cc1c([C@H](C)[C@H](C)O)cc(O)c([C@@H]2O[C@@H](C)[C@H](C)c3c(C)c(O)cc(O)c32)c1O 2356663278 ZYNVVEVIXKFNEJ-AGUSJXOASA-N 402.487 4.222 0 1 HIAF CC(=O)O[C@@H]1O[C@@H]2OC[C@@H]3CC[C@H]4[C@@]1(C[C@@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@]14C)[C@@H]23 2356802411 SERLDYCEIABIGD-HXBMFLCSSA-N 420.546 4.059 0 1 HIAF C[C@@]1(C(=O)NCc2ccco2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61905351 CLTLQUDQZDPFNO-FQEVSTJZSA-N 402.372 4.370 0 3 HIAF CCOc1noc2cc(OCCC3CCN(c4ccc(Cl)nn4)CC3)ccc12 3633464 OYNNBELKYCYRRG-UHFFFAOYSA-N 402.882 4.355 0 1 HIAF O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Nc3c(F)cccc3F)n2)n2n1CCC2 3948438 RTEPGYYCYOJXTD-UHFFFAOYSA-N 423.398 4.338 0 1 HIAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4205838 CRKLOCGSQWRXNQ-GGAORHGYSA-N 420.896 4.207 0 1 HIAF Cc1cccc(CN2C(=O)CC[C@@H]2CCNCc2cc3c(cc2Cl)OCO3)c1 11881400 CPGNLHSLQWQFLN-GOSISDBHSA-N 400.906 4.048 0 1 HIAF COc1ccc([C@@H]2N(c3ccccc3)C(=O)[C@]2(C)[C@@H](O)COc2ccc(F)cc2)cc1 26181936 PTYSLJNCSKWTCR-SONWIMMPSA-N 421.468 4.368 0 1 HIAF CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1C(C)(C)[C@H](OC(C)=O)CC[C@]12C 27188829 SYECKFRNAYAKQP-QPPBQGQZSA-N 414.498 4.338 0 1 HIAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(F)cc1 36409674 PQUIAOFHYBQBIA-KRWDZBQOSA-N 413.927 4.402 0 1 HIAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@H]2[C@@H](C)[C@H]1C 38897321 SPRRHIXUSVFEQR-NDGXYMQXSA-N 400.427 4.212 0 1 HIAF O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCCn1ccnc1 72108998 CHIIKJYNXRISPH-UHFFFAOYSA-N 412.287 4.265 0 1 HIAF COc1cc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3)cc2)cc(OC)c1 100107062 RMIRTGJDFJSWQE-OOSCYNTBSA-N 400.522 4.311 0 1 HIAF Cc1ccccc1-n1nccc1-c1cc(C(=O)N(C)Cc2ccco2)c(O)cc1O 117963958 XTHZQVYRYPJXGZ-UHFFFAOYSA-N 403.438 4.124 0 1 HIAF C[C@H]1C(=O)[C@H](C)[C@@H](c2cccc(F)c2)N(C(=O)Cn2ccnc2)[C@@H]1c1cccc(F)c1 169346982 RPBVLVICPNKVAG-HMOKWFRKSA-N 423.463 4.327 0 1 HIAF CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccccc2)c1 169689237 QCPLWGGHUXKTRA-FCHUYYIVSA-N 417.461 4.138 0 1 HIAF CCOc1ccc(C[C@@H]2C[N+]3=C(NC[C@H]3C)N2CCC23CC4CC(CC(C4)C2)C3)cc1 169721130 LIAFDSHDBCUQMB-GTPUSZMESA-O 422.637 4.279 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1cc(C)ccc1F 203890632 PJGYLDVLUVCFTG-FQEVSTJZSA-N 422.456 4.459 0 1 HIAF COc1cc(/C=C\c2nc3nc(Br)c[nH]c-3n2)ccc1Br 586977860 UNWUZQYPMKDOOG-HYXAFXHYSA-N 410.069 4.009 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(F)cnc3[nH]2)c1 587047839 ADMQSCNXWLHFDF-SREVYHEPSA-N 401.829 4.141 0 1 HIAF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587209650 ROUDYKHXXZSKGL-FYSMJZIKSA-N 419.502 4.489 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C/C(=O)Nc3ccccc3)nc2c1 587244958 STAGLFWDLIJTFR-CMDGGOBGSA-N 414.259 4.154 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CC2=O 587474859 KLPWYGFTSGFTEL-GVKACGJPSA-N 401.503 4.182 0 1 HIAF CN(C)C(=O)Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572820 RDBCFGSQOOBSLK-DENIHFKCSA-N 405.406 4.156 0 1 HIAF COc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575467 BYTPFUYKVRSPOC-URXFXBBRSA-N 419.433 4.150 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615276 XAPAQXBPXYLLOX-CVDCTZTESA-N 419.458 4.313 0 1 HIAF CC(C)Cn1cc([C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587720389 SXNAOUPTDKUFKA-VOJFVSQTSA-N 416.285 4.484 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ncc[nH]2)N1 587736728 UAKYGAGMAYVIBK-NSPYISDASA-N 404.258 4.277 0 1 HIAF CCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)ccc21 587776249 VUIQOBNCWCBQJQ-ODXCJYRJSA-N 403.295 4.041 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccncc12 587779554 TVWQWNHCFQVCGA-YTEVENLXSA-N 423.285 4.354 0 1 HIAF Cc1cc2ncc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)n2n1 587797757 SROUDUGXIWLOPQ-APBUJDDRSA-N 403.299 4.045 0 1 HIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O 587808909 RHROQKFQYAPRQB-YBTHPKLGSA-N 422.294 4.320 0 1 HIAF CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)NCCc2c1c(C(C)C)nn2C 962922358 RIGHVAULRBZQIA-QGZVFWFLSA-N 407.442 4.196 0 1 HIAF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc(C(=O)C(F)(F)F)cc1)NCC3 963031055 GWWFMMUVIGZXOC-OAQYLSRUSA-N 400.400 4.398 0 1 HIAF Cn1cc(CNC[C@@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)c2ccccc21 2356299516 JPAWSRNMJVGDGM-LJQANCHMSA-N 406.917 4.384 0 1 HIAF CC1=C[C@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 2356738336 KFNYJNDIVRBAQE-VWPQPMDRSA-N 417.569 4.394 0 1 HIAF CC(C)CC(=O)OC[C@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1[C@H](O)C=C1C(=O)OC[C@H]12 2356805244 ZQQHCEMYZRTQFU-DHEHRIESSA-N 418.574 4.279 0 1 HIAF Cn1nc(-c2ccccc2F)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)sc21 5022509 AYLUNSVKUNEXBG-UHFFFAOYSA-N 409.442 4.464 0 3 HIAF aggregator Cc1ccc(OCCN2CC[C@]2(C)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 61928718 AQDSLXPXXQNCOE-OAQYLSRUSA-N 406.448 4.173 0 3 HIAF CN=c1scc(-c2cc(OC)ccc2OC)n1N/C=C1\C(C)=Nc2ccccc21 263592201 HKMYOYOKCMICRV-NPOOEGQASA-N 406.511 4.455 0 3 HIAF CCc1cccc(-n2c(SCc3nc4ccccc4o3)nnc2N2CCOCC2)c1 12636806 RRDKGAPTJRPAPR-UHFFFAOYSA-N 421.526 4.100 0 1 HIAF COc1cc([C@H]2COc3cc(OC)c4c(c3[C@H]2O)CCc2cc(O)ccc2-4)ccc1O 13378530 DARDHUFDRYDZMZ-CJAUYULYSA-N 420.461 4.090 0 1 HIAF biogenic CN1CCCN(c2ccnc3cc4c(cc23)N(C(=O)c2ccc(Cl)cc2)CC4)CC1 45168730 ATMXHZRQDUGBOE-UHFFFAOYSA-N 420.944 4.233 0 1 HIAF CCOC(=O)[C@H](CO)NC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@@H]12 58549972 MVIDEWQCLWCLHW-RMWGXBEESA-N 417.590 4.162 0 1 HIAF COc1cc2nc(NCCCCO)nc(NCCCCc3ccccc3)c2cc1OC 82129292 VYJZMJQDEOXNQH-UHFFFAOYSA-N 424.545 4.266 0 1 HIAF Cc1ccc(CNc2ncnc3c2nc(-c2ccc(C)o2)n3C[C@@H]2CCCO2)cc1 82179261 RLYSOZRTPDGDIZ-SFHVURJKSA-N 403.486 4.494 0 1 HIAF CC(C)Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCc1ccccn1 82180879 CHABBKJHUMBCIP-UHFFFAOYSA-N 418.520 4.456 0 1 HIAF CCC(CC)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCNC(C)=O 82188812 GNXKPFGAJVVMIA-MRXNPFEDSA-N 408.550 4.082 0 1 HIAF Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(-c3ccccc3F)c(=O)c12 88345863 HAUSBEKIYVEYGP-CQSZACIVSA-N 414.444 4.278 0 1 HIAF CCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95874471 WHIDLAPBXJGMLF-NQBRFKTASA-N 404.554 4.018 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC2(C)CC2)c1C 103228759 ZYOPZQBZYFDBES-PIIMJCKOSA-N 424.501 4.344 0 1 HIAF Cc1c(-c2ccc(C(=O)N3CCC(C)CC3)cc2)c(=O)oc2c(C=O)c(O)ccc12 221058971 KMEHDULTIPVUCA-UHFFFAOYSA-N 405.450 4.159 0 1 HIAF Cn1c(CN2C[C@@H]3[C@@H](COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2ccccc21 253668245 WQJWGQOPARVNRN-PIIMJCKOSA-N 401.432 4.349 0 1 HIAF O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 261104723 HGCUPVSMDWTYJY-KKSFZXQISA-N 412.518 4.319 0 1 HIAF Cc1c(Cl)ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 586950387 FTUSXGZRAQJLOE-UHFFFAOYSA-N 418.950 4.457 0 1 HIAF CC(=O)N[C@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)c1ccc(Br)cc1 586983924 APTZVBLDVVKZGP-MRXNPFEDSA-N 415.335 4.438 0 1 HIAF FC(F)(F)c1nc(Cl)[nH]c2nc(CCNc3ccc(Br)cc3)nc1-2 586994763 BNWPBBHRSSOSBY-UHFFFAOYSA-N 420.620 4.394 0 1 HIAF Fc1ccc(-c2cnn(Cc3nc4cccc(I)c4[nH]3)c2)cc1 587164928 FOGDWPHHBOLCMP-UHFFFAOYSA-N 418.213 4.218 0 1 HIAF COc1ccc(-c2nc3ccc4ncccc4c3[nH]2)c(I)c1 587180372 PLNZHNRNAFNMAZ-UHFFFAOYSA-N 401.207 4.391 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587232487 XTYBMFIVDMRMCW-QWRGUYRKSA-N 403.832 4.272 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@]13CCN(C(=O)OCc1ccccc1)C3)O2 587401141 SQUPQSRNOXJLKC-ZEQRLZLVSA-N 406.482 4.104 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Br)c1F 587570376 WKXMEKJIEFPQDB-KDOFPFPSSA-N 416.202 4.392 0 1 HIAF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(N)ccc2O1 587580931 TXGHISKTNYWEQV-HYBUGGRVSA-N 403.434 4.393 0 1 HIAF COc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587581609 WOPDYDAEXGIPMQ-ZJSXRUAMSA-N 419.433 4.150 0 1 HIAF CCc1nn(CC)c2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583391 VVWJMAYQXQUDCD-ZJSXRUAMSA-N 404.466 4.364 0 1 HIAF COc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595028 MGYFOKHCVQVCRT-HYBUGGRVSA-N 414.417 4.494 0 1 HIAF CCOC(=O)[C@H](c1cccnc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587775559 RUPGWYIHJFNGOM-GIJMVEMTSA-N 421.310 4.080 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1cccnc1-c1ncccc12 587777939 KAALDSDHTAMNSD-WIUDPPPLSA-N 424.273 4.019 0 1 HIAF COc1ccccc1[C@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587804902 DBZPOFNBYWVJBA-ODXCJYRJSA-N 406.295 4.354 0 1 HIAF CCOC(=O)[C@]1(c2c(C)cccc2Cl)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962563469 GLQBUIAPWBVTAU-CMJOXMDJSA-N 417.933 4.349 0 1 HIAF CCOC(=O)c1ccccc1[C@H]1CCC[C@]2(C1)NCCc1ccc(C(=O)N(C)C)cc12 962926656 SUISORRPIPROSN-RXFWQSSRSA-N 420.553 4.264 0 1 HIAF Cc1ccnc2c1CCN[C@H]2c1c(Cl)[nH]c2cccc(I)c12 963067333 JKBYPKQBMXIHOP-INIZCTEOSA-N 423.685 4.364 0 1 HIAF C[C@@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963226205 KQQBQKBOGCAPFZ-UILWQTQJSA-N 415.537 4.275 0 1 HIAF COCc1nnc(-c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)o1 1857553548 MCVGPYRTGDCYCT-UHFFFAOYSA-N 417.269 4.117 0 1 HIAF C[C@@H]1CC(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@]46C[C@@H](O)[C@]3(C)[C@@H]12 2356495511 UMLHBLLBOOEXQG-OWIGTNHYSA-N 416.602 4.319 0 1 HIAF COC(=O)C1=CCCC(C)=C[C@H]2OC(=O)C(C)=C2C[C@H](OC(C)=O)C(C)=CCC1 2356496436 JQCWXJKSJTVECI-LEWJYISDSA-N 402.487 4.116 0 1 HIAF C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@H]([C@@H]2CC[C@@H]3CCC4(CCCC4)[C@@H]3N2)[C@]2(O)C[N@@]12 2356700874 JWRGEHATSYWSHI-REULJARJSA-N 408.586 4.086 0 1 HIAF O=C(O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1)c1ccc(Br)cc1 206041230 ZXQRLRZBTAJFEG-RIFZZMRRSA-N 406.320 4.320 0 3 HIAF CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)cc1F 774201 LXZNPPHPRLEZQR-AWEZNQCLSA-N 418.852 4.310 0 1 HIAF O=C(NCCCN1CCCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4054194 CMYMUHYIOASOOD-UNMCSNQZSA-N 411.933 4.034 0 1 HIAF COc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 6670985 LHIXOMGYTBLQMR-UHFFFAOYSA-N 411.676 4.427 0 1 HIAF C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCC3)C[C@H]2N(C)C1 29483818 UDRQASHQXVJFFN-UUMOZXFHSA-N 410.558 4.029 0 1 HIAF CN1C(=O)OC[C@@H]1Cc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 45192549 MUXFWYVHZVYMEW-NRFANRHFSA-N 401.510 4.450 0 1 HIAF COc1ccc([C@H](c2oc(CO)cc(=O)c2O)c2c[nH]c3ccc(Cl)cc23)cc1 64559426 CSPQVDUZDZGQTF-FQEVSTJZSA-N 411.841 4.161 0 1 HIAF COc1ccc([C@@H]2CC(c3ccccc3C)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 70459617 YTNKWYXSAJLIDC-QHCPKHFHSA-N 421.522 4.007 0 1 HIAF O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085256 PBYYJXGKCCGYDP-LJQANCHMSA-N 412.559 4.188 0 1 HIAF C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(-c3ccc(C(=O)O)cc3)c1O2 84688576 ZHQAJCPEYAJKDU-ULMCGTEBSA-N 410.466 4.241 0 1 HIAF Cc1cc(C)n(-c2nc(Nc3nccs3)cc(N3CCc4ccccc4C3)n2)n1 95922010 OQMYLASDAPUQRT-UHFFFAOYSA-N 403.515 4.042 0 1 HIAF COc1ccc(SCCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 96928020 IESKRKFXBWNZPV-UHFFFAOYSA-N 420.534 4.216 0 1 HIAF COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cnc3ccccc3c2)C=C1C 98083534 LXAORVWCKKLIBB-RUZDIDTESA-N 400.478 4.327 0 1 HIAF CC(C)(C)[C@@H]1CC(c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)=NO1 103215505 WPVNXSJCNZHDDL-KRWDZBQOSA-N 401.413 4.466 0 1 HIAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 103871396 YJOKLFNMHRNWDK-SADKCHQCSA-N 420.469 4.367 0 1 HIAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(C#N)nc1Cl 142778203 YSWMOFVUSMJNNV-UHFFFAOYSA-N 401.857 4.021 0 1 HIAF O=C1c2cc3c(cc2C2(CC2)N1CCC1CCN(Cc2ccccc2)CC1)OCO3 206550743 BAEZOJPQHPFLNX-UHFFFAOYSA-N 404.510 4.163 0 1 HIAF CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](C(=O)O)C(C)C)C2=O)cc1 220686704 IXKTXELGBDRYHN-NRFANRHFSA-N 413.514 4.309 0 1 HIAF C[C@@]1(CC(=O)Nc2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371253 BSEMZWMBRSCWLJ-NQIIRXRSSA-N 412.442 4.134 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(=O)n(Cc4ccc(C)cc4)c1)[C@@H](C2)C3=O 587420809 MBAKKKRVSZYKSL-FDDCHVKYSA-N 421.880 4.356 0 1 HIAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(Br)s1)[C@@H](C2)C3=O 587450334 JLSYLJQVQGZSFX-VOJFVSQTSA-N 423.284 4.027 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579308 DCVLGOGQZSDOQV-URXFXBBRSA-N 413.433 4.293 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1cnccn1)c1ccccc1 587587624 NOHMXQYHWTXBCP-DHLKQENFSA-N 410.429 4.282 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ncon2)cc1 587591923 XKTZPMQBMCXLNV-OFNKIYASSA-N 416.389 4.057 0 1 HIAF CCOC(=O)[C@]1(c2cc(C)cc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593031 BSEDMAGEXODRTR-SQJMNOBHSA-N 418.445 4.429 0 1 HIAF CCOC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598474 XUAVBUDUVLLQSS-URXFXBBRSA-N 420.417 4.037 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587723430 WXDKHBYGXFIDCW-IRNPWZCDSA-N 416.306 4.409 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=S)N(C)C)cc2)N1 587847791 YHTOKTPAGRGFNX-ZMZPIMSZSA-N 423.351 4.437 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNC(=O)c1ccccc1 587864727 NWOYPGFSISZUGJ-UHFFFAOYSA-N 417.387 4.038 0 1 HIAF COc1cccc(C(=O)c2ccc(-c3nc4cc(OCCN(C)C)ccc4[nH]3)cc2)c1 587931395 IKWXEIYXJCFHNB-UHFFFAOYSA-N 415.493 4.410 0 1 HIAF CC(C)n1ncc2c(=O)n(Cc3ccccc3)c(=N[C@H](C)c3ccc(Cl)cc3)[nH]c21 1911575145 YRSSURDJVOVERY-MRXNPFEDSA-N 421.932 4.471 0 1 HIAF Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2-c2c(C)cccc2C)cc1 95569942 NRPDLOKSVJQQOB-HSZRJFAPSA-N 409.493 4.333 0 3 HIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1 3978515 WJOGTCZNZPHODB-SLKPMULUSA-N 416.558 4.175 0 1 HIAF COc1c(CC=C(C)C)c(O)c(C(=O)c2ccc(O)cc2)c(O)c1C[C@H]1OC1(C)C 14780698 HONWZIFLOYHCME-GOSISDBHSA-N 412.482 4.272 0 1 HIAF biogenic CCN(Cc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)C1 15072845 WSKVQSJEENKJHK-LJQANCHMSA-N 421.994 4.027 0 1 HIAF O=C1NCN(c2ccc(F)cc2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2 26402097 KJXGSCVSIAVYKU-QFIPXVFZSA-N 401.485 4.005 0 1 HIAF CCCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@@H]1[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5 27865672 SLTSZQFCLXXDSX-BRCRPPSASA-N 409.570 4.088 0 1 HIAF c1ccc(Cc2nc(-c3ccc(N4CCC(Oc5ccccc5)CC4)nn3)no2)cc1 28655410 RAUPJMQHSZQHSE-UHFFFAOYSA-N 413.481 4.165 0 1 HIAF COc1cc(OC)cc(C(=O)N(C)CCCNc2ccnc3cc(Cl)ccc23)c1 35190734 UXHMNYSRCHJNMK-UHFFFAOYSA-N 413.905 4.480 0 1 HIAF C[C@H](CC(=O)OC[C@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1)CC(C)(C)C 40391309 BBJGEALTXUKPHL-CDCSOVCHSA-N 408.922 4.407 0 1 HIAF CC(C)CNC(=O)c1cnc(NCCCN2CCCC[C@H]2C)nc1Nc1ccccc1 45301464 VNSYIBMATINOQH-LJQANCHMSA-N 424.593 4.282 0 1 HIAF CCn1c2ccncc2c2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc21 64573695 HSEKIJVHZOLDTA-UHFFFAOYSA-N 411.483 4.027 0 1 HIAF CC(C)(C)Cc1nc2c(NCCc3ccccc3F)ncnc2n1C[C@@H]1CCCO1 82181040 GCZPWSYAUSSJJT-KRWDZBQOSA-N 411.525 4.388 0 1 HIAF Cc1cc2c3c(c1)c(=O)c(C(=O)NC1CCCCC1)cn3[C@@H](c1ccccc1)CO2 95556061 LUTFEJUSDOPSHW-OAQYLSRUSA-N 402.494 4.354 0 1 HIAF O=C([C@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@H]1c1cccc(F)c1 95562037 OXPBOTODAMHWNT-NZQKXSOJSA-N 402.425 4.343 0 1 HIAF Cc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175189 BOTJUSZAYZXPQS-KDOFPFPSSA-N 400.931 4.322 0 1 HIAF CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@H]2C5 100929728 SHXTYPBRXDOEOV-PCWWUVHHSA-N 416.521 4.011 0 1 HIAF OC1=C2C(=Nc3nc(O)nc(O)c3[C@@H]2c2ccc(Br)cc2)c2ccccc21 104094770 SMEYFIXNOUVAHJ-CYBMUJFWSA-N 422.238 4.199 0 1 HIAF O=C(NCc1ccccc1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 115655884 AZCCTENOQRXVIN-DEOSSOPVSA-N 417.896 4.222 0 1 HIAF CCCNc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)OC)cc3)C2)c1F 169709716 MHXGJHNMTJFQQL-MAUKXSAKSA-N 416.497 4.117 0 1 HIAF CCN1C/C(=C\c2ccccc2OC)C2=NC(=S)N[C@@H](c3ccccc3OC)[C@@H]2C1 169730319 XNCKAKVIVQPWFX-IFZCHHPQSA-N 421.566 4.109 0 1 HIAF Cc1ccc(NC(=O)c2nccnc2C(=O)NCc2ccc(-c3ccncc3)cc2)cc1 299822538 ISPVKCZBFORKBO-UHFFFAOYSA-N 423.476 4.029 0 1 HIAF COc1ccc(/C=C(/C(=O)N2CC(=O)Nc3cc(OC)ccc32)c2ccccc2)cc1 473086740 CNWFMNWIZDOYAD-KGENOOAVSA-N 414.461 4.230 0 1 HIAF Nc1nc(-c2cccc(-c3nc4ccc(I)cc4[nH]3)c2)cs1 587022386 WPSQSENKZGGPKY-UHFFFAOYSA-N 418.263 4.540 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Cl)c(Cl)nc4[nH]3)cc12 587037166 FGJVOPXDVVCTCS-ZETCQYMHSA-N 409.302 4.012 0 1 HIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(O)c4[nH]3)cc2N1 587125243 DBZITVULHLJSJA-LHLIQPBNSA-N 416.201 4.202 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587232590 ZYNWAXHSIGIALU-NWDGAFQWSA-N 414.731 4.015 0 1 HIAF CC(C)COc1cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2cc1Br 587249178 IRJYURMQXBAUMP-UHFFFAOYSA-N 404.264 4.308 0 1 HIAF Cc1cc(F)cc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329927 DOGNAESXKLPMJB-CVDCTZTESA-N 407.372 4.185 0 1 HIAF O=C(O)c1ccc2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355824 WMLMTLIMOCRIAL-XUZZJYLKSA-N 404.393 4.430 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)O2 587382240 KWSUYQUOFCNGMR-VUCTXSBTSA-N 410.461 4.049 0 1 HIAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1O 587413397 NZKXXGCDQUWZDO-BLVKFPJESA-N 405.244 4.051 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(Cl)cc2)n1 587552394 RBUVUUULJVOWET-KNQAVFIVSA-N 419.824 4.329 0 1 HIAF COCCOc1cccc(F)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556475 JRRKIQOACVUYLB-XUZZJYLKSA-N 424.424 4.434 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)C1CCOCC1 587585936 ISHXYAGYACVKQZ-URXFXBBRSA-N 403.434 4.071 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2N1CCSCC1 587617792 KZNWNLPAJRJDPC-JTAQYXEDSA-N 411.523 4.084 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccncc2)N1 587763287 IYICLOOXGJXIIE-WYRIXSBYSA-N 401.283 4.007 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2N2CCOC2=O)N1 587768049 SOMUJYROVJBCOA-MPBGBICISA-N 419.294 4.343 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795373 IQDUHXRKGFWJCS-RNODOKPDSA-N 406.295 4.319 0 1 HIAF COc1ccc([C@]2(/C=C/C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587805047 CZEUDGRNJYPGER-LAIFVVEFSA-N 420.278 4.015 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OC[C@@H]3CO3)c2)N1 587835988 YIDAKEYXJYYOSW-RRBXVBTKSA-N 406.295 4.164 0 1 HIAF Cc1cnc(Nc2ccc(N3CCC(CO)CC3)c(F)c2)nc1-c1cnn(C(C)C)c1 1857574414 FGEDOSMVANTPBG-UHFFFAOYSA-N 424.524 4.321 0 1 HIAF CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCOCCO)cc1 2480250 RQZBXKSDWQFEIR-UHFFFAOYSA-N 412.461 4.010 0 1 HIAF COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4041953 LEOQSVHBQMKCBW-VWNXMTODSA-N 423.557 4.121 0 1 HIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCCC3)[C@@H]2C)OCO4)c1OC 105520925 IGAAMAVEJGCBND-PKAUSPCKSA-N 411.498 4.405 0 1 HIAF C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)Nc1ccccc1)OCO3 25984832 NJJNAUXXYDRGQR-OAHLLOKOSA-N 414.465 4.229 0 1 HIAF COCc1c(-c2nc(-c3cccc(CCC(=O)O)c3)no2)cnn1C1CCCCC1 114611788 BUWHIJJAYBBSCR-UHFFFAOYSA-N 410.474 4.269 0 1 HIAF Cc1nn(CCc2ccncc2)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 28822063 PLMVMDVXAIKLJP-UHFFFAOYSA-N 404.392 4.289 0 1 HIAF Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccc(Br)cc2N)cc1 117586052 UYKUYFNIRDNWPF-UHFFFAOYSA-N 418.335 4.269 0 1 HIAF COc1cccc2c1-c1ccc(NS(=O)(=O)N(C)C)cc1[C@H](c1ccccc1)O2 26172468 SDBUTPFXNGKELI-QFIPXVFZSA-N 410.495 4.062 0 1 HIAF CC1(C)CCC[C@]2(C)[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H]3CO[C@H](O)[C@@H]3[C@@]12C 2356635847 MEIBKHXXKNZYPZ-MWEDCXCPSA-N 400.515 4.135 0 1 HIAF CSc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCOCC3)n2)cc1 28713158 XMMMHASBBHYWFC-UHFFFAOYSA-N 408.531 4.226 0 1 HIAF OCCOc1ccc([C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1 49113425 ZWJVWQRDPFBRFW-VWLOTQADSA-N 418.445 4.296 0 1 HIAF O=Cc1ccc([C@@H](C2CCCC2)[C@H]2C[C@@H]([C@@H]3CC[C@@H]4CCC[C@@H]4N3)[C@@]3(O)CN23)cc1 85547796 BZPUEYCJDUYTDS-KWRPRFJXSA-N 408.586 4.086 0 1 HIAF biogenic,in-vitro Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@](=O)c3ccccc32)cc1 139347156 WRHPPQZOFSXDOM-SSEXGKCCSA-N 418.518 4.405 0 1 HIAF O=C(O)c1cn(CCCCO)c2ccc(Cc3ccc(Cl)cc3Cl)cc2c1=O 40974269 GNKSISMYHDFYGM-UHFFFAOYSA-N 420.292 4.370 0 1 HIAF Cc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@H]3CCC[C@H](C)[C@H]3C)c(C)o2)cc1 195429781 HCPMBDJDMRNPHJ-LOFCNUNPSA-N 402.560 4.148 0 1 HIAF Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc12 40812456 KJGBRJCGHINNNU-VXKWHMMOSA-N 402.542 4.283 0 1 HIAF COCCNC(=O)c1cnc(NCC2CC2)nc1-c1ccc(-c2ccccc2)cc1 82154363 WBBRJRXBGISYBD-UHFFFAOYSA-N 402.498 4.009 0 1 HIAF COc1ccnc(OC)c1[C@@H]1CCCC(=O)N1Cc1csc(-c2ccccc2)n1 98176748 GEPYVZASDQMGCC-KRWDZBQOSA-N 409.511 4.476 0 1 HIAF CCOc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C 653845112 QNCJRHLHDZRTPZ-JOCHJYFZSA-N 407.514 4.259 0 1 HIAF C[C@H](c1ccccc1)N(C(=O)c1ccc(O)cc1O)c1ccc(C(=O)N(C)C)cc1 653668886 PTHOZJVXXRIJKO-MRXNPFEDSA-N 404.466 4.208 0 1 HIAF C[C@@]1(c2cccc(N3CCOC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597522 VLHXEGMAMDWAQJ-YKSBVNFPSA-N 417.417 4.226 0 1 HIAF COc1cccc(-c2ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c(Cl)c2)c1 587052270 MEFSUXVQGOYPMX-UHFFFAOYSA-N 413.886 4.206 0 1 HIAF COc1cccc(/C=C/[C@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587804378 BBQIMGLONKZPML-RRUFZAPTSA-N 420.278 4.124 0 1 HIAF CN1CCO[C@H]([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587498268 DTALPTMHGLAWAN-LADGPHEKSA-N 411.929 4.410 0 1 HIAF C[C@H](Oc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1)C(=O)O 587790243 GTRDDBAWGXFZQZ-XAAFQQQXSA-N 422.294 4.238 0 1 HIAF Cc1c(F)ccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339345 VMKYTKRVTZKCOV-XXBNENTESA-N 407.372 4.185 0 1 HIAF CCOC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587794676 PJAFHXBGXANQTH-ODXCJYRJSA-N 422.294 4.154 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccc(Br)cc1)O2 587370261 DDAFMAPCWJABDK-GWQNQTGSSA-N 401.304 4.276 0 1 HIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(Br)cnc2[nH]1 587120185 BMPCNPPWWUQPSZ-UHFFFAOYSA-N 400.080 4.148 0 1 HIAF O=C(OC1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)c1ccccc1 587598466 BATIZQJZLWLICX-XUGLNINTSA-N 402.402 4.112 0 1 HIAF Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 587838603 OIGNDFBSBOFSFQ-ODXCJYRJSA-N 404.279 4.292 0 1 HIAF [O-][n+]1ccccc1SCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586968625 BNMBMCUGZUECNZ-UHFFFAOYSA-N 420.210 4.150 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800187 VTZIKYJLFSQHKS-YUNKPMOVSA-N 422.294 4.025 0 1 HIAF COc1cncc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 587130799 RTMDEQOVUDACDZ-UHFFFAOYSA-N 422.395 4.184 0 1 HIAF C[C@H](Oc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)O 587796773 VGAFZFWXAFUSCX-JGRMJRGVSA-N 422.294 4.238 0 1 HIAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(N)ccnc4[nH]3)nc2n1 587115138 PCPYTLFPBNULKQ-UHFFFAOYSA-N 407.425 4.006 0 1 HIAF COc1ccc2c(c1)[C@@](C)(CC(=O)c1cnn(-c3ccccc3)c1O)N(C(C)C)CC2 962087493 FGDOIYZYKDRQOO-RUZDIDTESA-N 419.525 4.341 0 1 HIAF COc1cccc2occ([C@@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)c(=O)c12 962700997 JAYRKUTYGAEEFY-PEBXRYMYSA-N 411.498 4.394 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(cccc3OC[C@@H]3CC3(F)F)C2)cc1 1772629814 OARGRHIXKCJBHZ-KKSFZXQISA-N 414.496 4.476 0 1 HIAF COC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 13737427 XSYGBVSQKPLETJ-JSXRDJHFSA-N 401.453 4.095 0 1 HIAF CCCCn1nc(C)c(C=O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13761007 HGOSFEKMGFXCPD-UHFFFAOYSA-N 400.486 4.242 0 1 HIAF CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccc(F)c(Cl)c4)nn23)cc1 169306676 ACUYUSDHNYNQAP-UHFFFAOYSA-N 401.850 4.259 0 1 HIAF O[C@@H]1CCN(c2ccc(Nc3ncc4c5ccccc5n(C5CCCC5)c4n3)nc2)C1 169706753 CUOAKASSZZNNNL-GOSISDBHSA-N 414.513 4.409 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@H]1c1c(-c2ccccc2)noc1C 169712580 ODOXTRYGHUAHES-FXAWDEMLSA-N 410.470 4.225 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713499 JPOAJVXSZNVFCE-QFVUWDAZSA-N 406.586 4.282 0 1 HIAF CCOc1ccc(C[C@@H]2C[N+]3=C(NC[C@@H]3C)N2CCC23CC4CC(CC(C4)C2)C3)cc1 169721128 LIAFDSHDBCUQMB-DQFIXQBVSA-O 422.637 4.279 0 1 HIAF Cc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(-c4ccccc4)cc3)C(=O)C[C@H]12 206390525 KNXBTECNMUDJBS-NRFANRHFSA-N 410.473 4.267 0 3 HIAF CCN(CC)CCNC(=O)/C(=C/C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)OC 206841548 ZNWYLLXKMFSNME-KMJKLVPQSA-N 410.345 4.476 0 1 HIAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NC(C)(C)C)c2n1 207617690 UNMAPEYWZALTLE-UHFFFAOYSA-N 403.490 4.388 0 1 HIAF NCCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 1654348 LXPIGJKFAYACAB-UHFFFAOYSA-N 417.513 4.218 0 1 HIAF CCc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCCCC2)S3)cc1 3006215 UKYCXDCVXFMKOI-HSZRJFAPSA-N 409.555 4.035 0 1 HIAF CN1CCN(C(=O)c2ccc3c(c2)[C@@H]2[C@H]([C@H]4CC[C@@H]2C4)[C@H](c2ccccc2)N3)CC1 4030204 HKKBEBHRHIGDGJ-KPSKLQJESA-N 401.554 4.371 0 1 HIAF C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCC4)[C@@H]1C 4905973 KSYVWDIXLPTTJI-PMUMKWKESA-N 412.555 4.455 0 1 HIAF CCn1c(C(=O)N2CCC[C@H](C(=O)NC3CCC(C)CC3)C2)cc2sccc21 5085279 GHNJJKJFQBKTSH-CGZBRXJRSA-N 401.576 4.270 0 1 HIAF O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1nnc(-c2ccccc2)o1 5466548 DCVNRRRHQVLXFQ-UHFFFAOYSA-N 415.405 4.324 0 1 HIAF Cn1c(=O)oc2cc([C@H]3CCC(=O)N3Cc3csc(-c4ccccc4)n3)ccc21 5722893 BCARQUSEFZIXEH-QGZVFWFLSA-N 405.479 4.119 0 1 HIAF CC(C)=CCc1c(O)cc2occ(-c3ccc4c(c3)C[C@H](O)C(C)(C)O4)c(=O)c2c1O 38968539 ZQFVIWLMWIBTMY-NRFANRHFSA-N 422.477 4.454 0 1 HIAF biogenic COCCCCn1c(C)nc2c(=O)[nH]c(NCc3ccc(Cl)c(Cl)c3)cc21 72170747 MCLBRLZOEAKXLM-UHFFFAOYSA-N 409.317 4.379 0 1 HIAF Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCc3cnccn3)cc2c1 72179081 YENQOHPBORWMLX-QGZVFWFLSA-N 411.509 4.077 0 1 HIAF CCC[C@H](Oc1cnn(-c2ccc(C)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 73240584 XXMYSVUWQYCGOX-QFIPXVFZSA-N 421.497 4.305 0 1 HIAF CCOc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCCOC(C)C)n2)cc1 82195959 JTUDFOXIHNUHGW-HXUWFJFHSA-N 417.575 4.109 0 1 HIAF CCCCCC[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O 95578337 HOLDBPMXIXHGBE-AWEZNQCLSA-N 421.009 4.457 0 1 HIAF CC(C)(C)[C@H]1CC(c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)=NO1 103215508 WPVNXSJCNZHDDL-QGZVFWFLSA-N 401.413 4.466 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccc(Br)c2)n1 142053513 XJBMGMZMWLYKPO-IUODEOHRSA-N 405.296 4.393 0 1 HIAF COC(=O)C1=C[C@H]([C@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2OCCC[C@@H]12 169355937 COSCUZRDNFVXDW-PHXPKGLYSA-N 409.320 4.297 0 1 HIAF CC1=N[C@@]2(N=C1N)c1cc(OCCCF)ccc1CC21CCC(OC(C)C)CC1 210612864 MNSXGYMIYOIUBX-UWFXLKAESA-N 401.526 4.320 0 1 HIAF C[C@H]1CN(c2cc(-c3n[nH]c4ccc(-c5cccc(C#N)c5)cc34)ncn2)C[C@@H](C)O1 225563819 UFBZHIUOKARMGT-IYBDPMFKSA-N 410.481 4.172 0 1 HIAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@H](C)O)CN(C)[C@H]1C2 253633025 GFWKHLGNTRIBOR-VMWRJMRKSA-N 412.574 4.275 0 1 HIAF O=c1ccc(-c2nc3c(Cl)ncnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587052013 JRVIXNSSWZQECR-UHFFFAOYSA-N 406.660 4.190 0 1 HIAF COc1ccc(-c2nc3cc(I)cnc3[nH]2)c(C(F)(F)F)c1 587098851 XRJPQYNOKFWCCC-UHFFFAOYSA-N 419.144 4.257 0 1 HIAF C[C@]1(CC(=O)Nc2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371250 BSEMZWMBRSCWLJ-GHTZIAJQSA-N 412.442 4.134 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(Br)cc4)c1)[C@@H](C2)C3=O 587420440 WRBSYUKKKULVGW-OXJNMPFZSA-N 411.255 4.132 0 1 HIAF CCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccc(CCOC(C)=O)cc1 587559133 FNGQXXLKISYBNN-UHFFFAOYSA-N 409.486 4.331 0 1 HIAF Nc1cccc([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575787 DJQGKZYAQCAHCX-RCZVLFRGSA-N 410.429 4.275 0 1 HIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1NC(C)=O 587578217 MYZVAUYPTUMEAY-ZJSXRUAMSA-N 419.433 4.236 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2Br)N1 587685552 RIQHFBDFLGMKEY-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(CNC(=O)OC(C)(C)C)C2)N1 587753744 IBEJCKCWABYVNW-KMXRQWDNSA-N 413.331 4.252 0 1 HIAF CCN(CC)Cc1cccc(NC(=O)Nc2cccc3c2[C@H]2CCCCN2C3=O)n1 653725585 QRVWMWPFAKMZQT-LJQANCHMSA-N 407.518 4.248 0 1 HIAF Cn1cc(CNC[C@@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)c2ccccc21 2356409586 MUFXTDZYPATSRP-LJQANCHMSA-N 406.917 4.384 0 1 HIAF CC(C)c1sc(-n2cccc2)nc1C(=O)N(C)C[C@@H]1CCCN2CCCC[C@@H]12 2356761623 RUAWMKCZIHIMQT-ROUUACIJSA-N 400.592 4.394 0 1 HIAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)NCc2ccco2)C1 4077197 KVYMRHGEJRJURF-KRWDZBQOSA-N 413.905 4.425 0 3 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4037326 XEUFZJJBTZPCKF-IFMALSPDSA-N 405.885 4.330 0 1 HIAF CN(CCF)Cc1ccccc1Sc1ccc(I)cc1N 13472757 GJOZXTQPKPBRAE-UHFFFAOYSA-N 416.303 4.426 0 1 HIAF O=S(=O)(O)c1cc(O)c2c(ccc3[nH]c(-c4ccc5ccccc5c4O)nc32)c1 13475411 FCIMLKPVQCTXSJ-UHFFFAOYSA-N 406.419 4.194 0 1 HIAF CCCCc1nn2cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13825691 FHPQSHYLWNFCCO-UHFFFAOYSA-N 412.501 4.077 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1cccc(CCC[C@H]2OC(=O)NC2=O)c1 29326248 QOPXLIOUYCVYKP-HXUWFJFHSA-N 406.438 4.187 0 1 HIAF COc1ccc([C@@H]2/C=C/CN(C(=O)C3CC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 36388457 XAPQFFOIGCFEJL-SHOZMMGQSA-N 422.500 4.101 0 1 HIAF COc1ccc(Nc2nccc(NC[C@H](O)c3ccc(C(F)(F)F)cc3)n2)cc1 45193431 ZQXAPSWKADMPNW-KRWDZBQOSA-N 404.392 4.393 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c1C 71340533 QOLHUCVLXVPCQL-RYRKJORJSA-N 412.490 4.057 0 1 HIAF C[C@@]1(C(F)(F)F)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21 73221844 MXILMRCUZDBQJR-GOSISDBHSA-N 413.392 4.328 0 1 HIAF O=C(N1CCCCC1)N1CC(O[C@@H](c2ccc(F)cc2)c2cccnc2Cl)C1 73258812 MAPMANCRSZAYIX-IBGZPJMESA-N 403.885 4.270 0 1 HIAF O=C1CSC(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Br)cc2)=N1 73296111 VZUOXKTTZJFLLO-MRXNPFEDSA-N 400.301 4.230 0 1 HIAF O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCc2ccccc2C1 84635632 GGHBRTYLAGGOTC-UHFFFAOYSA-N 401.491 4.025 0 1 HIAF Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCc3ccccc3C2)cc1 84636077 YZJQYVXTYSXEPV-UHFFFAOYSA-N 415.518 4.334 0 1 HIAF CN1CCN(c2ccc(-c3ccncc3)cc2NC(=O)c2ccccc2Cl)CC1 95590072 UPWKAPBSVLJPOJ-UHFFFAOYSA-N 406.917 4.406 0 1 HIAF Cc1cc(C(=O)c2ccccc2)ccc1-c1nc([C@H]2C[C@](C)(O)C2)n2ccnc(N)c12 140920444 UNGFHQPZAADWDG-HMRCJKRNSA-N 412.493 4.146 0 1 HIAF COc1cc(-c2ccc(-c3cc(OC)c(OC)c(OC)c3)nc2)cc(OC)c1OC 141218463 VDGJLEORYONQLJ-UHFFFAOYSA-N 411.454 4.467 0 1 HIAF 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](C(=O)O)[C@@H]3C(=O)O 169348209 PXYRCOIAFZBLBN-HMPBQVTCSA-N 418.530 4.298 0 1 HIAF C/C=C/C=C/c1cc(=O)c2c(o1)O[C@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2 198509965 XXHQUPUACYOBLJ-LRJFGXOXSA-N 412.526 4.459 0 1 HIAF COc1cc(/C=C/c2cccc(O)c2)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](O)C2 238777580 QJARFBWPVJNMLR-ZUDUAMTPSA-N 420.461 4.323 0 1 HIAF C[C@H]1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(Cl)c1Cl 473101912 LEKYBEUSNCUHQO-NSHDSACASA-N 405.260 4.436 0 1 HIAF CC(C)Oc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br 586960969 DTXGOBJQMPRMAK-MRVPVSSYSA-N 424.324 4.044 0 1 HIAF Cc1ccc2c(ccc3nc(CSc4nnc(-c5ccc6c(c5)OCO6)o4)[nH]c32)n1 586969339 JLSDIDKGZPXFNA-UHFFFAOYSA-N 417.450 4.491 0 1 HIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(C(=O)OC)ccnc2[nH]1 587033806 BFPRECJQHVNVAG-AWEZNQCLSA-N 408.483 4.230 0 1 HIAF Cc1nc2[nH]c(-c3cnc(N)nc3-c3ccccc3Cl)nc2cc1Br 587061784 YOUDPFJXSDKMLF-UHFFFAOYSA-N 415.682 4.388 0 1 HIAF COC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587115899 DLVBBKDFKOWHAZ-UHFFFAOYSA-N 400.154 4.193 0 1 HIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Br)cc3[nH]2)C(F)(F)C1 587132228 NOHSUXKSCRFWMB-JTQLQIEISA-N 402.239 4.295 0 1 HIAF Nc1ccc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cn1 587253177 CRUPRLIFNWEXKV-UHFFFAOYSA-N 409.287 4.472 0 1 HIAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587429587 QAOPRLSQXOGHPI-AMBFMVRQSA-N 423.509 4.337 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccccc3C(N)=O)o1)CC2=O 587472138 XLOMWDJBGKESTO-QFIPXVFZSA-N 421.449 4.322 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cc(C)c(OC)c(C)c1)CC2=O 587483081 USDXLGRQMVNMMO-DEOSSOPVSA-N 412.482 4.394 0 1 HIAF COc1ccc(CCCc2nc3ccc(I)cc3[nH]2)c(OC)c1 587929587 XTTGNDMQYPCWEX-UHFFFAOYSA-N 422.266 4.360 0 1 HIAF Nc1sccc1[C@@]1(c2ccccc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962775208 ZKNKMYFNUHMBAI-PXNSSMCTSA-N 402.441 4.268 0 1 HIAF CCOc1ccccc1[C@]1(CCCCC(=O)O)NC[C@H]2CC(=O)N(C)c3cccc1c32 963019680 IEMDQFMMMIAREB-NSYGIPOTSA-N 422.525 4.027 0 1 HIAF CC(=O)N[C@H](C)c1ccc2nc(N3CC(Oc4cccc(OCC5CC5)c4)C3)oc2c1 1772588078 OQORVSGUAORZBX-OAHLLOKOSA-N 421.497 4.081 0 1 HIAF CN(C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)NCCN)cc1 1772598398 XIUPHCYYQIVPMK-UHFFFAOYSA-N 409.574 4.247 0 1 HIAF O=C(NCc1ccccc1Cl)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 1772617530 APIVUJRBRZKGIM-UHFFFAOYSA-N 418.888 4.062 0 1 HIAF CCC(CC)C(=O)N1CC[C@](C)(O)[C@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 2356288390 COMBNOBOJRQZBL-MZKRTTBSSA-N 414.571 4.007 0 1 HIAF O=C(NCC1CCCCC1)c1cc(-c2cc(F)ccc2OC[C@H]2CCCO2)n[nH]1 61908152 WVMXQFZRZXXLJY-QGZVFWFLSA-N 401.482 4.084 0 3 HIAF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4054956 PUCAKVJSRUEHHK-UYAOXDASSA-N 417.962 4.095 0 1 HIAF C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)C[C@@H](C)N1C 13758898 VTARULBYXIJDCV-CALCHBBNSA-N 419.504 4.143 0 1 HIAF COc1cccc(Nc2ncc(C(=O)NCc3ccccc3)c(C(F)(F)F)n2)c1 28645232 OBSGYQYVIQISNF-UHFFFAOYSA-N 402.376 4.178 0 1 HIAF CN(C)c1ccc(-c2cscc2C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)cc1 45316917 HPBFBRPFCAWQAJ-FQEVSTJZSA-N 420.582 4.271 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccccc1 82133605 KVZZJIATVQOFDI-QGZVFWFLSA-N 404.514 4.335 0 1 HIAF CCCCNC(=O)c1cc(NC(=O)CN2CCCCC2)ccc1OC1CCCCC1 84672265 CJETXRXXDRPVLL-UHFFFAOYSA-N 415.578 4.352 0 1 HIAF COCC(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638826 CBOBEHFEEQFPPV-KDURUIRLSA-N 401.547 4.397 0 1 HIAF O=C(O)[C@@H]1C[C@H](C2=CCN(c3ccccc3)C2=O)c2c(Cl)cc(Cl)cc2N1 139228025 WCVMSBDOPRGOSK-PBHICJAKSA-N 403.265 4.319 0 1 HIAF COc1cccc(CCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)c1 201552449 MOIKCNZGIDOZRB-UHFFFAOYSA-N 402.454 4.350 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc(F)c(Cl)c4)ncc23)ccn1 205448931 AYIDPSYNCRROOZ-UHFFFAOYSA-N 410.840 4.443 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc2c1 586903171 NWHOSHFGDJHIHS-CJNGLKHVSA-N 401.260 4.071 0 1 HIAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(C)C 586932921 LQPOGAHUIQZCPQ-HXUWFJFHSA-N 413.543 4.211 0 1 HIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 586934511 AQAJEPLMZKKOAN-NSHDSACASA-N 408.321 4.069 0 1 HIAF COc1ccc2nc(-c3nc4cc(I)ccc4[nH]3)sc2c1 587034307 DXCZOGLYGCPDKO-UHFFFAOYSA-N 407.236 4.453 0 1 HIAF CCOC(=O)Cc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120480 KVYRTHLLZSGKIW-UHFFFAOYSA-N 406.286 4.096 0 1 HIAF O=C(O)c1ccc(-c2cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)ccc2F)cc1F 587138236 DKLADMUIPYFYAR-UHFFFAOYSA-N 406.348 4.455 0 1 HIAF CC[C@@]1(c2c[nH]c(C(=O)OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344042 FFLRBAANMKCIIK-OFNKIYASSA-N 409.413 4.310 0 1 HIAF Cc1cc(C)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587352829 YETIPJVKHCGGMC-YKSBVNFPSA-N 403.409 4.355 0 1 HIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c(Cl)c1O 587377063 KQDJOFOVKBIKES-LBPRGKRZSA-N 412.667 4.414 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1CCCC[C@@H]1C)[C@@H](C2)C3=O 587434565 AROJQXUWGPYYCN-RGIAPHJHSA-N 407.510 4.437 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)CCC(C)C)cc1)[C@@H](C2)C3=O 587451760 ZQFAZQODXRVZNU-PGRDOPGGSA-N 400.496 4.004 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(CN3CCOCC3)cs1)CC2=O 587493804 HYMURZJGXHJSSE-JOCHJYFZSA-N 401.528 4.119 0 1 HIAF C[C@H](NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587569729 GZNUFHGJTUTRFE-ZYBREQRGSA-N 417.461 4.380 0 1 HIAF COc1cccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587586711 CYBYPXXIGXXODR-RDPSFJRHSA-N 414.417 4.494 0 1 HIAF Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602967 KGOMCMVIILTMMH-QPPBQGQZSA-N 404.418 4.423 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccco1)c1ccco1 587616424 JUBWEOXJHXEHGA-CVDCTZTESA-N 402.358 4.318 0 1 HIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1-n1cccn1 587757905 HZVXYCLOHGJHJX-SGTLLEGYSA-N 401.283 4.101 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccccn3)CC2)N1 587766660 HCBOVBHGOAIABQ-CQSZACIVSA-N 404.327 4.009 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797183 MFKPQPRIVPFTRJ-RBZFPXEDSA-N 406.295 4.238 0 1 HIAF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)O 587802677 TUAWSCIZNUQVIA-XTZNXHDOSA-N 408.267 4.309 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)OCc2ccccc2)N1 587803887 YEQYADGYQSPVOW-RBZFPXEDSA-N 406.295 4.471 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@@]1(CC(=O)C(C)(C)C)C(F)(F)F 961326047 QPXZNRFKSPGVGC-FQEVSTJZSA-N 401.469 4.353 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ncco2)(c2cc(Cl)ccc2Cl)N1 962901762 SBCZBAYVXDPNIH-KXBFYZLASA-N 407.228 4.011 0 1 HIAF C[C@@](O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(C(F)(F)F)cc1 1857578030 XPLPOKKAVZEGRG-MRXNPFEDSA-N 407.310 4.493 0 1 HIAF COc1ccc(-c2nc(-c3cc4cc(C)ccc4nc3N3CCOCC3)no2)cc1 1857743899 AZIHUZOPKHWHLH-UHFFFAOYSA-N 402.454 4.105 0 1 HIAF CC[C@@H]1Oc2c(Br)cc(Br)cc2[C@H]2CC(C)=NN2C1=O 1857758319 NYLGYTWZKHXNMW-NEPJUHHUSA-N 402.086 4.032 0 1 HIAF CC[C@@H]1Oc2c(Br)cc(Br)cc2[C@@H]2CC(C)=NN2C1=O 1857758321 NYLGYTWZKHXNMW-RYUDHWBXSA-N 402.086 4.032 0 1 HIAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C 2356331968 XGDKDBPCTUJBNO-APTBEKPVSA-N 416.514 4.003 0 1 HIAF Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)O[C@H]3CCCC[C@H]32)cc1 169293731 UNPAQNBHMGZKAF-HJNYFJLDSA-N 417.502 4.065 0 3 HIAF CNC(=S)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 4347020 CRPVDGGNNPFUCM-HXUWFJFHSA-N 423.582 4.319 0 1 HIAF COc1cc(C(=O)O)ccc1COc1ccc(C(C)=O)c(O)c1Cc1ccccc1 27897065 WFYYPBCNSRVUIB-UHFFFAOYSA-N 406.434 4.471 0 1 HIAF C[C@H]1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21 28527240 KSEHPHIHVMQGKQ-INIZCTEOSA-N 406.555 4.107 0 1 HIAF FC(F)(F)c1cccc(-c2c[nH]c(C3CCN(c4ncnc5[nH]ncc45)CC3)n2)c1 43201175 RSFBRAHCHZGZPB-UHFFFAOYSA-N 413.407 4.146 0 1 HIAF O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccnn1-c1ccccc1 66128825 DYZOAIFMPFBAFE-LJQANCHMSA-N 401.445 4.005 0 1 HIAF O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1)c1cccc2cccnc12 73294238 YZDVOVJFVJNQJE-LPTDTENNSA-N 411.461 4.023 0 1 HIAF CC(C)c1nc2c(NCCCc3ccccc3)ncnc2n1CCCN1CCCC1=O 82180040 PVRDPLPOCLWSJS-UHFFFAOYSA-N 420.561 4.007 0 1 HIAF Cc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)c(C)n1 95565870 QLNNNKURSZWILX-UHFFFAOYSA-N 400.885 4.152 0 1 HIAF COc1ccccc1OCCNCC[C@@H](O)COc1ccc2[nH]c3ccccc3c2c1 96939500 HOGSKTXHLAOKQW-GOSISDBHSA-N 420.509 4.128 0 1 HIAF Cc1cc(O)c(-c2csc(N3C(=O)CS[C@@H]3c3ccc(Cl)cc3)n2)c(=O)o1 98081852 PXSVWAQLXYJDOT-MRXNPFEDSA-N 420.899 4.209 0 1 HIAF CC[C@H]1C/C=C/C[C@H](C)Oc2ccccc2C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1 100088667 VVNIRXJTAKNISC-RIIFOXMYSA-N 420.553 4.382 0 1 HIAF Cc1cc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCOCC5)ccc4c3n2)ccc1Cl 113196290 MPZDGMZFDQNHCN-UHFFFAOYSA-N 420.900 4.280 0 1 HIAF CC(C)Nc1nc2cnncc2nc1N1CCC(Oc2ccc(Cl)cc2F)CC1 144328512 YODOIOFBBCLKCD-UHFFFAOYSA-N 416.888 4.080 0 1 HIAF CCCOc1cnc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(Cl)c1 169709285 YVFVDSCORUCQCN-KXBFYZLASA-N 417.937 4.379 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCCC4CC4)c3)C2)cc1 169709777 YARKRVOMOIDALX-GAJHUEQPSA-N 409.530 4.115 0 1 HIAF O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2)CC1 205127295 AHWCHVWBLMKRCO-UHFFFAOYSA-N 404.738 4.087 0 1 HIAF COc1cc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc(C(F)(F)F)c1 205764223 HOMFPISZZYQNIE-AWEZNQCLSA-N 406.404 4.322 0 1 HIAF Cn1c([C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@@H]32)nc2ccccc21 207782473 HJYUNCUCFSUWLN-VJBWXMMDSA-N 424.460 4.287 0 1 HIAF COc1c2ccoc2nc2c(OC)c(OC/C=C(/C)CC[C@H](O)C(C)(C)O)ccc12 238742109 PTGOUHPHIRZGKO-BLSFAOBESA-N 415.486 4.235 0 1 HIAF CC(C)n1c(-c2nc3c(O)nccc3[nH]2)cc(Br)c1Br 587004878 AYDZDINKDIMVFU-UHFFFAOYSA-N 400.074 4.238 0 1 HIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cs1 587014453 QKGSEQUGXPXYRM-UHFFFAOYSA-N 400.291 4.413 0 1 HIAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2c1 587033794 MUZXOBOLOGKWCW-ZDUSSCGKSA-N 403.573 4.495 0 1 HIAF O=S(=O)(c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1)C(F)(F)F 587037403 VDXIGFMLHCRJPW-ZDUSSCGKSA-N 404.460 4.297 0 1 HIAF CN(C)/C=C\[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378821 WOQZQZFBGPTDFF-PGVREIPNSA-N 410.470 4.318 0 1 HIAF COc1ccc([C@]2(CCN(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587574294 WVOIETDBBNYXFS-DHLKQENFSA-N 419.477 4.210 0 1 HIAF Cc1noc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 587588875 UQOKYCTYHZODFL-DENIHFKCSA-N 400.390 4.454 0 1 HIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC 587592794 KNGAIEWLBIDIRP-UGKGYDQZSA-N 408.406 4.121 0 1 HIAF COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2cc(Cl)c(F)cc12 587631389 ARTTUFWAUHRKSH-UHFFFAOYSA-N 411.820 4.477 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\C(=O)O)(c2ccc(F)cc2)N1 587729225 CLCVUFDHXBXEKV-BSCXKWEMSA-N 408.242 4.146 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(C(=O)O)N1 587735138 PLMMALNVLHOTDI-VPRXMMIXSA-N 408.242 4.255 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cccc(F)c2)N1 587736333 ZKLXSXKLFJJHFG-JEOXALJRSA-N 410.258 4.370 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)nc2/C=C/N(C)C)N1 587744451 BHFPAEMANYKIFR-DWFVZGMMSA-N 420.326 4.019 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCN(C)N=O)(c2cccnc2)N1 587757346 UPNBKDLQKVBMKE-BFUOFWGJSA-N 421.314 4.154 0 1 HIAF COc1cc(OC)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587808875 RBJNZKHRKWXNDZ-GIPWTMENSA-N 424.310 4.412 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3nc[nH]n3)o2)N1 587843279 IDGBQYHSZMHHJF-VXJOIVPMSA-N 409.284 4.074 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2C 587872692 RJVZKQVSOAONEC-UHFFFAOYSA-N 419.460 4.244 0 1 HIAF COC(=O)[C@H](n1cccc1[C@@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1C)C(C)(C)C 962641390 SCGWOTYFIBWYAP-RXYZOABWSA-N 414.546 4.231 0 1 HIAF COc1c(Cl)ncc(Cl)c1[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962729452 IFTQSKSCGQNRCB-DGCLKSJQSA-N 405.203 4.132 0 1 HIAF COc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962894152 HZBLBNPVANEZEX-PWWKTKHKSA-N 419.452 4.201 0 1 HIAF COC1=C(c2ccccc2)Oc2cc(OC)ccc2[C@]12NCCc1c(C)ccnc12 963077019 VDOBSWXKFHTFOS-RUZDIDTESA-N 400.478 4.196 0 1 HIAF CN(C)CCNc1cncc(-c2ccc3[nH]cc(-c4cc(C(=O)O)ccc4F)c3c2)n1 1857638536 FSVMVFNAUYVDDY-UHFFFAOYSA-N 419.460 4.103 0 1 HIAF Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(C3CCC3)ncnn12 1857646333 VVBNEMCPPGEXGE-UHFFFAOYSA-N 413.407 4.182 0 1 HIAF CC(=O)OCC(=CCc1cc(C=CC(=O)O)ccc1OC(C)=O)CCC=C(C)C 2356434225 JGJFXUFMIHNXAZ-UHFFFAOYSA-N 400.471 4.488 0 1 HIAF O=S(=O)(c1ccccc1Cl)c1c[nH]c2c(OCCN3CCCC3)cccc12 3960584 UKUUMYLIKIQMSU-UHFFFAOYSA-N 404.919 4.129 0 1 HIAF COC(=O)N1C(c2ccccc2)=Cc2ccccc2[C@@H]1[C@@]1(C(=O)OC)CCCC1=O 8682190 LLDBEKZQWUMNCM-ZJSXRUAMSA-N 405.450 4.220 0 1 HIAF CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@H]1O3 13474841 LSMMQGJPNNFZFL-XMMPIXPASA-N 420.509 4.375 0 1 HIAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc(C(F)(F)F)c1 28572737 ZKVDIQXCFGPNNV-HXUWFJFHSA-N 423.394 4.251 0 1 HIAF COc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)cc1 49037103 PLDIKELNSMXLQR-UHFFFAOYSA-N 424.504 4.268 0 1 HIAF COc1cc(C(=O)c2c[nH]c(-c3ccccc3C(F)(F)F)n2)cc(OC)c1OC 64504043 GTLBUMPZKSWLQP-UHFFFAOYSA-N 406.360 4.352 0 1 HIAF CC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3ccccn3)CC2)c1 84603515 UEDWSVJKJZDTTC-UHFFFAOYSA-N 401.514 4.179 0 1 HIAF Cc1cn(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c2ccccc12 96175181 LZGIKPSDNVRPPX-HNAYVOBHSA-N 405.523 4.028 0 1 HIAF CCC[C@@H](O)Nc1nc(Nc2cccc(-c3cncnc3)c2)c2ncn(C(C)C)c2n1 103186822 CFVOEIRDSYTLGT-GOSISDBHSA-N 418.505 4.138 0 1 HIAF O=C1c2cc(-c3ccc(C(F)(F)F)cc3F)ccc2OCCN1Cc1ncccn1 206192317 CXCPSDAEYIKBKO-UHFFFAOYSA-N 417.362 4.336 0 1 HIAF COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1C 586939274 SPILMADIWFFTMU-SFHVURJKSA-N 407.923 4.209 0 1 HIAF CCOc1n[nH]c(-c2nc3cc(C)cc(Br)c3[nH]2)c1Br 586978891 BNTXGXAYGBHJRX-UHFFFAOYSA-N 400.074 4.185 0 1 HIAF CCOC(=O)C(Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(=O)OCC 587099302 YHEWLEBEYSHECY-UHFFFAOYSA-N 417.461 4.040 0 1 HIAF Fc1cc(Br)ccc1-c1nc2cc(I)cnc2[nH]1 587142917 QSSWYQYZSWQMDB-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF COC(=O)c1cc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c(F)c1Nc1ccccc1 587194528 HYAUTBBDLPAOGV-UHFFFAOYSA-N 420.448 4.064 0 1 HIAF O=C(c1cc(F)c(Cl)nc1Cl)c1c(CO)oc2cc(Br)cnc12 587276992 YMSOOGZWQFOOAE-UHFFFAOYSA-N 420.021 4.155 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(C(=O)c4cccc(Cl)c4)cn1C)[C@@H](C2)C3=O 587417942 FUXXIWGFCRKZCQ-SBUREZEXSA-N 407.853 4.407 0 1 HIAF COc1ccc2c(c1)OC(C(F)(F)F)=C[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421507 LIBWCXGHNCSXLA-JLTOFOAXSA-N 404.340 4.185 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587435551 GHZHNOCKSVPUIE-AIYYMTJKSA-N 413.514 4.381 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CN4CCC[C@H](C)C4)c1)[C@@H](C2)C3=O 587439835 WTZVTUGELNXAPI-SOJACNMYSA-N 407.510 4.424 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCC3(CN(C(=O)OC(C)(C)C)C3)C1)CC2=O 587474299 GEVKOPGPPPRPFZ-HSZRJFAPSA-N 401.503 4.470 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCC(=O)O)c(OC)c1)CC2=O 587486284 ZGNOMFVLBNKKGO-QHCPKHFHSA-N 414.454 4.087 0 1 HIAF COC(=O)/C=C/c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587805140 GVUSYGUQUSWVIP-ONIVQANZSA-N 404.279 4.398 0 1 HIAF COCOc1ccc(OC)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805562 HOUPIIMBWILSDM-JEOXALJRSA-N 410.283 4.203 0 1 HIAF COC(=O)c1cc(OC)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812285 ZFXBNXVDUVNNMY-XTZNXHDOSA-N 408.267 4.007 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)cs2)N1 587853118 OZZKAYRVPZXGHI-PWCHPLFNSA-N 406.118 4.431 0 1 HIAF COc1ccc2c(c1OC)[C@@](C)(CSc1ccccc1C(=O)O)N(C)[C@@H](C)C2 962619821 HFFGYESSUBYEJA-RCDICMHDSA-N 401.528 4.286 0 1 HIAF CC1=COc2c(Cl)cc(Cl)cc2[C@@]12NCCc1ccc(C(=O)N(C)C)cc12 962931657 ORNAZCFJLVIZPJ-OAQYLSRUSA-N 403.309 4.381 0 1 HIAF COc1ccccc1[C@]1(c2ccccc2Cl)NCCc2ccc(C(=O)N(C)C)cc21 962933982 IEVWGPTYUPUEDG-VWLOTQADSA-N 420.940 4.488 0 1 HIAF Nc1oc2ccc(F)cc2c(=O)c1[C@H]1c2ccsc2CCN1Cc1cccnc1 963000212 UONOQFWBNNNGBN-HXUWFJFHSA-N 407.470 4.119 0 1 HIAF COc1cc(OC)c2c(C)c([C@@]3(C)NC[C@H]4CC(=O)N(C)c5cccc3c54)oc2c1 963017999 DJMWIJLTJPVLBU-SHACYNPGSA-N 406.482 4.075 0 1 HIAF COc1cc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1OCc1ccccc1 963018756 CIXZLDKNHVRVHF-SIBVEZHUSA-N 414.505 4.417 0 1 HIAF Cc1ccc(S(=O)(=O)n2cccc2[C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963108549 XWLGMPYDWOTTBF-CVDCTZTESA-N 410.514 4.283 0 1 HIAF Cc1c(O)ccc2c1[C@@](c1cccc(Br)c1)(C(C)(C)C)N[C@H](C(=O)O)C2 963506922 GKOQZFMSTXWPPS-KKSFZXQISA-N 418.331 4.352 0 1 HIAF CCOC(=O)N[C@H]1CC[C@@H](CCN2CCN(c3nsc4ccccc34)CC2)CC1 1772613854 BYJLEOXPONSXOY-HDICACEKSA-N 416.591 4.113 0 1 HIAF COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(OCCN(C)C)c(OC)c2)ccc1O 1772648520 AXRZPTQJTOYRKV-MSOLQXFVSA-N 401.547 4.407 0 1 HIAF COc1ccc(CCCOC(=O)N(c2ccccc2)[C@H]2CN3CCC2CC3)cc1OC 1857552007 MMSLNHRRTRWHIB-QFIPXVFZSA-N 424.541 4.374 0 1 HIAF Cc1cccc(C(=O)Nc2ccc3[nH]nc(-c4ccc5c(ccn5CCO)c4)c3c2)n1 1857578936 DKOXKRIESNMDOK-UHFFFAOYSA-N 411.465 4.133 0 1 HIAF O=C(NC1CC1)c1ccc(-c2cnn3c(NCc4ccc(F)cc4)ccnc23)cc1 1857618435 DNDCOPFQZFJMLE-UHFFFAOYSA-N 401.445 4.040 0 1 HIAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(-c2ccccc2F)nn1 1857641042 FFPFZTWGOOQHGW-UHFFFAOYSA-N 423.395 4.179 0 1 HIAF C[C@]1(C(=O)NCC2CCOCC2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61930147 JPIMTAUNFNBCST-OAQYLSRUSA-N 420.431 4.004 0 3 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CC(=O)NCc1ccco1)C2=O 13681868 NSHKXWHQUTUXRS-CFLIESROSA-N 407.510 4.343 0 1 HIAF O=C(CCCN1CCN(CC[C@H]2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1 19367755 WGYPNYKGDVKOAN-JOCHJYFZSA-N 422.544 4.242 0 1 HIAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN[C@@H]3CCCC[C@@H]32)cc1 28762618 KGERRRVIMYMABD-DSITVLBTSA-N 405.586 4.474 0 1 HIAF CN1CCC[C@@H](n2cc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3cccnc32)C1 28862348 LTLJCRZLNGLYAB-OAHLLOKOSA-N 423.460 4.155 0 1 HIAF COC(=O)c1ccc(CSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 28862858 ZSXUDKKAHZUPGS-UHFFFAOYSA-N 416.449 4.026 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@H](C)N2C[C@H](c3ccccc3)C[C@@H]2C1 40656251 PKZKDNACFVSZIJ-XOYOTBSWSA-N 413.949 4.070 0 1 HIAF CC(C)c1nccn1C[C@H](O)COc1ccccc1C(=O)CCc1ccc(F)cc1 73159631 AAFNWBJIDZAMLN-FQEVSTJZSA-N 410.489 4.401 0 1 HIAF O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)c1ccc(F)cc1 84634640 QSTGKJAONZGCFL-UHFFFAOYSA-N 423.492 4.416 0 1 HIAF CC(C)CC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636882 UGVAQHMBFZQVRT-OYRHEFFESA-N 413.606 4.340 0 1 HIAF Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 116816260 GHVJBFUZYPACNM-UHFFFAOYSA-N 411.384 4.320 0 1 HIAF CC(=O)N1c2ccccc2Sc2ccc([C@@]3(O)CN(C)[C@@H]4CCCC[C@@H]4O3)cc21 169307109 ILKCLTYYJHHDOS-DHJUGAMNSA-N 410.539 4.254 0 1 HIAF Cc1cnc(-c2ccccc2OC(C)C)nc1NCc1ccc(-n2ccnn2)cc1 169341471 LFMHIFOQPBSKFM-UHFFFAOYSA-N 400.486 4.432 0 1 HIAF Cn1cnc2ccc(-c3cccc(OC[C@@H](O)CN4CCc5ccccc5C4)c3)cc21 218388410 XOQLCVLZWLEHOX-QHCPKHFHSA-N 413.521 4.038 0 1 HIAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=C(F)c2ccc(Cl)cc2Cl)CC1 222846613 LYHMQCQUGJIVRF-UHFFFAOYSA-N 418.321 4.499 0 1 HIAF COc1cc([C@@H]2CC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 238758505 HERNELJRDZIRJX-KATBDVFWSA-N 416.470 4.014 0 1 HIAF C[C@@H]1[C@H](NC(=O)N2CCC(Oc3ccc(CCC(=O)O)cc3)CC2)[C@H]1c1ccccc1 299869710 VFIRCZMWVUCUDN-VWMXVWASSA-N 422.525 4.059 0 1 HIAF COC(=O)c1cc(C)nc(N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)n1 473089706 LLCHFIAHPDXANX-QKDCVEJESA-N 405.420 4.220 0 1 HIAF Cc1cc(F)cc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1 473153700 CMDOQJWYHZTTIH-UHFFFAOYSA-N 417.423 4.380 0 1 HIAF COc1ccc(S(=O)(=O)Cc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 586919985 BMINKKCPUMMNNL-UHFFFAOYSA-N 408.479 4.124 0 1 HIAF O=S(=O)(Cc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1 586921731 MAIMMFVJTSIJPA-UHFFFAOYSA-N 420.490 4.365 0 1 HIAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)c1 587049053 GQFRMIZHBCAURE-UHFFFAOYSA-N 400.829 4.339 0 1 HIAF Fc1ccc(-c2cn3c(Cc4nc5cnc(C(F)(F)F)[nH]c-5n4)csc3n2)cc1 587166276 QDUBQKPXFSWZGV-UHFFFAOYSA-N 418.379 4.429 0 1 HIAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1I 587387259 PGAYJMDNGUDXSO-SFHVURJKSA-N 423.250 4.071 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(N)sc3c1CCOC3)O2 587415817 YJXNBLRCZZELFL-HSZRJFAPSA-N 406.507 4.203 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(CC(=O)O)cc4)cc1)[C@@H](C2)C3=O 587452353 SPIUCCKQSFKIIG-NBGIEHNGSA-N 400.430 4.478 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN1CCCC1=O)CC2=O 587475102 LUTXDLOWJVVKDV-QFIPXVFZSA-N 409.482 4.052 0 1 HIAF CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509329 CEZMTGAQRJHDCN-RUZDIDTESA-N 421.493 4.495 0 1 HIAF CCn1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587538465 AVOAGKHCYSXMEP-BEFAXECRSA-N 415.243 4.074 0 1 HIAF C[C@@]1(c2cccnc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550118 ZTWWJIYXZMKBGP-UZLBHIALSA-N 412.239 4.427 0 1 HIAF O=C(NCCc1cccs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658789 UPIGJKYYUGDUBM-UHFFFAOYSA-N 411.433 4.204 0 1 HIAF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](N=O)C2 587740427 JZIMUFUIXZPYOR-ZJEXCSKESA-N 405.267 4.066 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(CCN)c3ccccc23)N1 587753937 CDFHQTNIHKHRQV-ZSEKCTLFSA-N 416.338 4.299 0 1 HIAF COCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587789927 DGSOFOHIAMYXBJ-RNODOKPDSA-N 408.311 4.411 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)([C@@H](O)c2ccco2)N1 587828656 OQAFIIDVYLMWNP-RIPJAXHCSA-N 406.251 4.286 0 1 HIAF COc1cccc2cc3c(nc12)[C@H](c1nc2cccc(Br)c2o1)NCC3 963067154 NZNQPMIKQSBUKY-GOSISDBHSA-N 410.271 4.382 0 1 HIAF CC(=O)OCC1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@H]1[C@H]3OC(C)=O 2356594677 YJYOZRWDYXVENI-RQOJZXTJSA-N 418.530 4.125 0 1 HIAF Cn1c(=O)c2cc(NC(=O)Nc3cccnc3)ccc2n1Cc1ccc(Cl)cc1 61903062 FONWONCVRNPXSW-UHFFFAOYSA-N 407.861 4.081 0 3 HIAF COc1ccc([C@H](NCc2ccc(F)cc2)C(=O)N(C)C2CCCC2)cc1OC 206496072 TYNUNPJWHCMRJV-QFIPXVFZSA-N 400.494 4.075 0 3 HIAF CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O 13560153 TZYSFWCODVUWBW-UHFFFAOYSA-N 413.345 4.013 0 1 HIAF C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](OC(=O)C(C)C)[C@@H]1[C@@H]2OC(=O)CC(C)C 14407433 GCXCMYAMTCXPDI-USQQZSEOSA-N 420.546 4.068 0 1 HIAF biogenic C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(CCN3CCOCC3)C[C@H]21 19367928 OQOGMEFNRHFVDB-GJYPPUQNSA-N 421.507 4.117 0 1 HIAF CC(C)N(CC[C@](CC[C@@H]1CCCCN1)(C(N)=O)c1ccccc1Cl)C(C)C 26264557 AFVWAVIJLFYWRJ-CVDCTZTESA-N 408.030 4.494 0 1 HIAF C[C@@H]1NCCc2c1[nH]c1ccc(O)c(-c3c(O)ccc4[nH]c5c(c34)CCN[C@@H]5C)c21 28011007 UONAXVFICWYWNY-TXEJJXNPSA-N 402.498 4.141 0 1 HIAF c1ccc(CNc2ccccc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)nc1 28570475 KCHBERGVPSURTH-UHFFFAOYSA-N 401.426 4.259 0 1 HIAF CS(=O)(=O)c1ccc(-c2nc(NCc3ccccc3)cc(C(F)(F)F)n2)cc1 29132581 STQCNLNBMACVIC-UHFFFAOYSA-N 407.417 4.178 0 1 HIAF in-vivo CN(C)c1ccc(-c2c(-c3ccc4n[nH]c(N)c4c3)nnn2Cc2ccccc2)cc1 63539958 VEXYJVKMGKPGRV-UHFFFAOYSA-N 409.497 4.185 0 1 HIAF Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4CCC(=O)N5)CC3)cccc2n1 64560424 BZFUYHDDVGBTOS-UHFFFAOYSA-N 414.553 4.101 0 1 HIAF CCOc1ccc2c(=O)cc(CC)oc2c1COC[C@]12CC[C@](C)(C(=O)O1)C2(C)C 72116646 YJGZYZNCWNPGDN-RPWUZVMVSA-N 414.498 4.393 0 1 HIAF CC(C)c1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@H]1CCCN1C 82180962 BPKQBOUNLLJXOJ-GOSISDBHSA-N 410.541 4.228 0 1 HIAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188302 YNSHLOIRJPVLGP-QGZVFWFLSA-N 420.561 4.226 0 1 HIAF COc1cccc2cc(-c3ccc(C(=O)c4cc(Cl)ccc4O)cn3)c(=O)oc12 98083602 BLCPTAKVUXEUBE-UHFFFAOYSA-N 407.809 4.454 0 1 HIAF CCCNC(=O)O[C@H]1CC[C@](CNC(=O)c2ccccc2OC)(c2ccccc2)CC1 100941939 IYMWLYWBYFPVAA-WBANQOEISA-N 424.541 4.442 0 1 HIAF Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)c(Cl)c2)nc1C(N)=O 101581690 KAGHJGHSKOXHFD-OKILXGFUSA-N 401.894 4.261 0 1 HIAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2ccccc2CN2CCCC2)cc1 117315907 WWUFSAPUYDNYDA-UHFFFAOYSA-N 424.570 4.101 0 1 HIAF CN(C)Cc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 219021398 PHHQAAHILAJBIP-UHFFFAOYSA-N 423.524 4.225 0 1 HIAF C[C@@]12CC/C=C(/CO)CC[C@@H]3/C(=C\c4ccccc4Br)C(=O)O[C@@H]3[C@@H]1O2 299822535 RICGTQZXEOPSQP-GQKOOGASSA-N 419.315 4.024 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299876412 FQJHQCITQOZRFI-JCXROGDPSA-N 404.551 4.232 0 1 HIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Cl)cnc4[nH]3)c2)cc1 586931614 ZODXAOUMRFXYNX-UHFFFAOYSA-N 412.902 4.412 0 1 HIAF Fc1cc(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966384 CTJSUWCTUHWECC-UHFFFAOYSA-N 406.240 4.202 0 1 HIAF COc1cc(Br)c([C@@H](N)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1OC 586975587 NPTYFYPAMADASE-MRXNPFEDSA-N 419.323 4.083 0 1 HIAF CC(C)(Oc1ccc(Br)cc1)c1nc2nc(Br)c[nH]c-2n1 586996046 OADJLWBJJPSNQN-UHFFFAOYSA-N 412.085 4.144 0 1 HIAF Nc1nc(-c2cccc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c2)cs1 587020553 BOOWWTNYUCWPDS-UHFFFAOYSA-N 424.429 4.229 0 1 HIAF COc1nccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587071790 QEMULCHALIXPCQ-OAHLLOKOSA-N 402.882 4.428 0 1 HIAF FC(F)(F)c1nn(CCc2nc3ccc4ncccc4c3[nH]2)cc1Br 587117996 IJNUYILDWMEANP-UHFFFAOYSA-N 410.197 4.332 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OC)cc(OC)c4[nH]3)c2)c1 587232004 KRYDDENOIASTAT-UHFFFAOYSA-N 401.466 4.198 0 1 HIAF Cc1cccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587334498 JRWBTBBICWNAIQ-LADGPHEKSA-N 420.440 4.381 0 1 HIAF COCCn1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587345510 ZVYXYEHMWIOZPX-UPVQGACJSA-N 424.472 4.265 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(Cl)c(Cl)c4)nn1)[C@@H](C2)C3=O 587420510 QETIEGLJVUPKPJ-BUXKBTBVSA-N 402.237 4.071 0 1 HIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc(N(C)C(C)=O)c1)CC2=O 587470315 SABCQEYWWCBDEY-AAJFVQQISA-N 422.525 4.263 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CCC12CC2 587475576 PSDFTXDTCGQZNU-QHCPKHFHSA-N 401.503 4.470 0 1 HIAF Nc1cccc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540616 PTUCSOQRKJDDQY-XLIONFOSSA-N 412.239 4.440 0 1 HIAF O=C(Nc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1)C1CCCCC1 587652567 VIPBIJGQRMTWQL-UHFFFAOYSA-N 409.873 4.257 0 1 HIAF CCOC(=O)[C@]1(CCC(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587709080 HVDKSOOEXVSDQK-RFAUZJTJSA-N 412.221 4.223 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(C(F)(F)F)cc2)N1 587711805 ILDHPQMBZZGEMY-DYZYQPBXSA-N 418.228 4.377 0 1 HIAF C[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 587761935 RHJPNRKKWMJXRX-UYSIFFEZSA-N 413.331 4.347 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3cccc(CO)n3)CCC2)N1 587773703 RIUVZTBGIPTISD-ZSEKCTLFSA-N 417.322 4.473 0 1 HIAF COc1cc(C)cc2c1OCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587836399 UGZHHNYJNWEPSM-FKIZINRSSA-N 406.295 4.466 0 1 HIAF Fc1ccc2nc([C@@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)[nH]c2c1 962958702 OLCQXGCMKFNNBQ-GOSISDBHSA-N 405.395 4.462 0 1 HIAF C[C@@]1(c2cc(Br)cs2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965550 LHWBEQZNEWMOCE-BONVTDFDSA-N 422.678 4.305 0 1 HIAF Cc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CC[C@@H](CO)CC4)C(C)(C)C3)nc12 1772600465 FCBNHGCVOSSSHC-HLAWJBBLSA-N 409.574 4.063 0 1 HIAF O=C(NC1CCOCC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772647165 ZYJRDVYSTDBDCJ-UHFFFAOYSA-N 417.387 4.350 0 1 HIAF Fc1ccc(Oc2ccnc(N3CCC(NC(=S)Nc4cccnc4)CC3)c2)cc1 1857592919 IYMBLKPQUAAAKK-UHFFFAOYSA-N 423.517 4.363 0 1 HIAF Cc1nnc2n1-c1ccc(-c3cnc(=N)[nH]c3)cc1[C@@H](Nc1ccc(Cl)cc1)CC2 1857598221 BSFILPZIPHRPKR-IBGZPJMESA-N 417.904 4.198 0 1 HIAF COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 13816468 HBVRHZDJSGTARE-SFHVURJKSA-N 404.388 4.419 0 3 HIAF Cc1ccc2c(=O)n3c(nc2c1)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1-3 36389175 QSCWZWUAPHBKAP-FQEVSTJZSA-N 415.880 4.375 0 3 HIAF CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncccc1[C@@H](C)O 13832850 ABUNYPRNLSTCMK-QGZVFWFLSA-N 414.513 4.399 0 1 HIAF CNc1cc(OC)c(C(=O)NC[C@H]2CC[C@@H](C)N2Cc2ccccc2)cc1Cl 28238869 GGANYIDTHXJNBU-NVXWUHKLSA-N 401.938 4.173 0 1 HIAF CCc1cccc(CC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 29320808 SFYIMOUYRJPZOY-UDIRQSBCSA-N 420.590 4.106 0 1 HIAF CCN1CCC(n2cc(-c3nnc(-c4ccccc4)c(-c4ccccc4)n3)nn2)CC1 45348767 WMGZGKMKCDRRDS-UHFFFAOYSA-N 411.513 4.121 0 1 HIAF COC1(C)CN(C(=O)c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccccc2C)O3)C1 49071055 JIFZQCVNRQAIIC-NRFANRHFSA-N 419.525 4.117 0 1 HIAF COc1ccc(Oc2nc(NCc3ccco3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 82066700 RUQSOMIJRQDZLF-IYBDPMFKSA-N 409.490 4.360 0 1 HIAF COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)C1CCCC1)[C@H](CO)N2 95869476 CPFYXLYEJJVGPX-WNOPAQSVSA-N 406.526 4.228 0 1 HIAF O=C(NC1C[C@@H]2CCC[C@@H](C1)N2CC(=O)N1CCCc2ccccc21)C1CCCCC1 101906244 BSFLJRGGSSSJBJ-GOTSBHOMSA-N 423.601 4.048 0 1 HIAF C[C@@H](C[C@H]1CC[C@@H]([C@@H](C)Cn2cc(-c3ccccn3)nn2)O1)OC(=O)c1ccccc1 169297126 JMQXMAWLGSWGBC-DWXLDPMZSA-N 420.513 4.159 0 1 HIAF CCOC(=O)[C@@H]1C(CC)=NC(=O)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729864 LPNXHPGMPNQJLI-RTWAWAEBSA-N 410.470 4.069 0 1 HIAF CC(=O)N1CCc2c(c(-c3cccc(C(F)(F)F)n3)nn2Cc2ccc(F)cc2)C1 204896673 FWEYOUTVRSDFHI-UHFFFAOYSA-N 418.394 4.056 0 1 HIAF CC1(C)c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1)OCO3 206550459 DDMURWDZTXXPFI-UHFFFAOYSA-N 406.526 4.409 0 1 HIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)Nc3ccccc3O)CC[C@H]12 253635062 BGGSGEZOWWTTGS-HIJQPWIUSA-N 408.542 4.244 0 1 HIAF O=C(c1ccc(F)cc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 587275427 AJHZWKURDCNMAU-UHFFFAOYSA-N 418.140 4.472 0 1 HIAF CCOC(=O)C[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338951 PAYHYIMIOUVRDB-VWNXMTODSA-N 421.424 4.134 0 1 HIAF C[C@]1(c2ccc(NC(=N)N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339363 TUMVIUYQWLNKOJ-NFBKMPQASA-N 405.429 4.111 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCn3c(O)nc4cccc2c43)[C@H]1c1ccc(F)cc1 587351216 ZHOWDLUKVIXZEJ-GBXCKJPGSA-N 416.408 4.245 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1cc(C)cc3oc(=O)c4c(c13)CCC4)O2 587407421 IICXPHGRFCZHOJ-VWLOTQADSA-N 419.477 4.284 0 1 HIAF O=C(c1ncccc1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657185 PHBJLFXERMYWGO-UHFFFAOYSA-N 424.229 4.049 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCNC(=O)OC(C)(C)C)N1 587755434 OFYQFTPYXZWAAC-ZMZPIMSZSA-N 401.320 4.252 0 1 HIAF CC(C)CN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587766102 FGTVHNLIJYGVBL-LRTDBIEQSA-N 417.322 4.369 0 1 HIAF CCCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587767824 JWCMMJLVRCJKRO-YUNKPMOVSA-N 403.295 4.123 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOC3=O)cc2)N1 587769112 WYCZNNQSJJEWMK-FKIZINRSSA-N 419.294 4.343 0 1 HIAF COc1ccc(C2=C(N)c3ccccc3[C@]23NCCc2cc(C)c(F)cc23)cc1OC 962147318 OTQNBWAEIMTNDU-AREMUKBSSA-N 416.496 4.381 0 1 HIAF CN(c1ccc(I)cc1F)c1c(C(=O)O)ccc(F)c1F 1857637419 YRAJKOMCYWWATE-UHFFFAOYSA-N 407.129 4.175 0 1 HIAF CC(C)C[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)c1cccc2cccnc12 1911579589 QYLFJJWZHVTTPO-OCKXMSAZSA-N 408.523 4.367 0 1 HIAF CC(=O)Nc1ccc(CN2CCOC[C@@H]2c2ncc(-c3cccc(Cl)c3)[nH]2)cc1 2356301947 IKHPXSMRLXXCDS-OAQYLSRUSA-N 410.905 4.262 0 1 HIAF COC[C@@H](CC=Cc1ccc(OC)c(OC)c1)[C@H](O)c1ccc(OC)c(OC)c1 2356682117 DYVFUMMQRMNAMH-WZONZLPQSA-N 402.487 4.121 0 1 HIAF COc1ccc(CN2C(=O)c3c(c(C)n(C)c3C)[C@@H]2C(=O)NC2CCC(C)CC2)cc1 3030833 XNJQTBODASXSKM-LHMWJSETSA-N 423.557 4.043 0 3 HIAF COc1cc(-c2cnc3c(NC=O)cc(-c4ccsc4)cn23)cc(OC)c1OC 61925871 ASCLMEXKBFTBOQ-UHFFFAOYSA-N 409.467 4.324 0 3 HIAF O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773598 KFAQWQUVISNLRZ-LJQANCHMSA-N 406.413 4.074 0 1 HIAF CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3c1ccc(F)c(F)c1 1658805 WCGGUWAZMWJGMN-UHFFFAOYSA-N 408.455 4.389 0 1 HIAF CC(C)(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)Cc2cccs2)C3)cc1 13643137 BRAPWNJIQFCXTK-UHFFFAOYSA-N 408.527 4.106 0 1 HIAF CN(C)S(=O)(=O)c1ccc(Sc2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 13743614 GQDIRQLYTRXMOS-GOSISDBHSA-N 413.586 4.148 0 1 HIAF CC(=O)Nc1ccc([C@H]2CC(=O)N(C)[C@H]2[C@@H](O)c2ccc(-c3ccccc3)s2)cc1 28461686 KZRHKLGJGXCVAC-FOVJLYNBSA-N 420.534 4.421 0 1 HIAF O=C1N(CCCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccncn1 29393600 KAEYSQLBKJYFMX-UHFFFAOYSA-N 408.424 4.377 0 1 HIAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)CCCC(C)=O)cc21 29478969 YIVSHIMXNJFJNS-UHFFFAOYSA-N 408.454 4.094 0 1 HIAF CCOC(=O)C1=CC[C@H]2c3c(c4ccccc4n3C)C(=O)[C@@H]1N2Cc1ccccc1 61958702 XNQUMZRCECALRF-RBBKRZOGSA-N 400.478 4.180 0 1 HIAF CCN(c1nc(Nc2cccc(Cl)c2)c2c(n1)N(C(C)C)CN2)[C@@H](O)C(C)C 70719325 ONDJJMXLXHXDKB-IBGZPJMESA-N 404.946 4.272 0 1 HIAF O=C(NCc1ccco1)c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 82069709 JZWDBFKKJYJLCD-UHFFFAOYSA-N 417.490 4.263 0 1 HIAF CCC[C@H](CO)C[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CCCC2)c1)OC(C)=O 85627680 IMARHDCXFVQFGB-JAXLGGSGSA-N 422.562 4.128 0 1 HIAF biogenic,in-vitro C=C(C)c1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2)c2ncnc(N)c12 88345987 BZEPMNICNGHYAY-UHFFFAOYSA-N 422.492 4.102 0 1 HIAF CCOC(=O)[C@@H](CO)NC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@@H]12 96901003 MVIDEWQCLWCLHW-YYHYCTJNSA-N 417.590 4.162 0 1 HIAF COc1ccc(NC(=S)Nn2ccnc2-c2ccc(Br)cc2)cc1 98083868 UDHAISIVDLYOIT-UHFFFAOYSA-N 403.305 4.262 0 1 HIAF O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2cccs2)CCCN1 103204987 WUPISUOELPZCJM-KRWDZBQOSA-N 400.610 4.206 0 1 HIAF Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCN3CCC[C@@H]53)c(=O)c2)cn1 113109168 NYQVZBXUKBYNSF-QHCPKHFHSA-N 410.521 4.393 0 1 HIAF COC(=O)c1ccc(CNC(=O)c2[nH]c(-c3ccoc3)cc2-c2ccc(O)cc2)cc1 116538402 GEKPDVXWCPRPFT-UHFFFAOYSA-N 416.433 4.364 0 1 HIAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]nc(C#N)c1Cl 142805837 IUMWPQJDJAROTL-UHFFFAOYSA-N 401.857 4.021 0 1 HIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2noc(C)n2)c1 167364701 LQQRWVVSBRNSJK-KDOFPFPSSA-N 407.470 4.172 0 1 HIAF CN1CCC(CS(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC2CC2)CC1 299835192 LXSZFACKDXQTEW-UHFFFAOYSA-N 417.619 4.150 0 1 HIAF COc1ccc2c(c1)CC(=O)N2[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 299862702 KBJNWPWJHLZMDH-JOCHJYFZSA-N 412.917 4.428 0 1 HIAF COc1cc(Br)c([C@H](N)c2nc3cc(C)c(Cl)cc3[nH]2)cc1OC 586976028 RZISRHQVGMDPQF-INIZCTEOSA-N 410.699 4.353 0 1 HIAF O[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)c1ccccc1Cl 587057527 ASEMYUKGXMIURZ-NSHDSACASA-N 417.488 4.218 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238589 DPQLORQHYCJRBO-FFUDGTDTSA-N 407.461 4.396 0 1 HIAF C[C@@]1(c2cccc3oc(N)nc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333812 IFOTZXYQKHITLS-XXBNENTESA-N 404.397 4.529 0 1 HIAF Cc1cccc2c1N(C)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340972 UXMAOVKJHRCHOG-YKSBVNFPSA-N 403.409 4.071 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c1)O2 587391300 MJLPSNTWPLHKBS-FUMQJTLXSA-N 418.493 4.137 0 1 HIAF COc1ccc([C@@]2(c3ccc(O)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587444539 UPEYDOOCEZXNSC-CJFMBICVSA-N 418.445 4.109 0 1 HIAF CCCCOC(=O)C1=C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)CC(C)(C)O1 587487025 YKBNQPGYCJPEQX-HSZRJFAPSA-N 402.487 4.475 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(CN3CCOCC3)cs1)CC2=O 587493810 HYMURZJGXHJSSE-QFIPXVFZSA-N 401.528 4.119 0 1 HIAF C[C@@]1(c2cc(F)c(N)c(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559458 XOYAYIUOSIUDNQ-BTYIYWSLSA-N 401.340 4.269 0 1 HIAF Cc1cccc(N2CCC([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)CC2)n1 587580698 DAEMFZSJPBWYLI-DHLKQENFSA-N 416.477 4.342 0 1 HIAF C[C@@H]1C[C@@]2(CN1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581532 HSDFBKHLRXAQOZ-SEIFXHLTSA-N 401.462 4.387 0 1 HIAF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C(=O)O)=CO2 587838762 OXFAFVYEEZNJLY-YBTHPKLGSA-N 418.262 4.035 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3cnn(C)c3)cs2)N1 587852599 HOJSDMFAWVWAKN-FVMDXXJSSA-N 407.312 4.069 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955781 OSTPAPMIKPNDHL-FQEVSTJZSA-N 405.523 4.188 0 1 HIAF Cc1ccc2c(c1)[C@@]1(C(=O)N2)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961752319 VKODTZDSCCSGDF-RUZDIDTESA-N 419.525 4.342 0 1 HIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](Cc2ccccc2)(c2ccc(O)cc2)N1 963236376 WSAVEROYXFULPE-RSXGOPAZSA-N 410.473 4.026 0 1 HIAF Cc1onc(-c2ccc(Cl)cc2)c1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963488856 GGDWUUNNTJQTTE-AOMKIAJQSA-N 412.873 4.180 0 1 HIAF O=C(Nc1nc2ccc(Cl)cc2s1)c1c(O)c2cccc3c2n(c1=O)CCC3 1911583093 WAFZLRGECFKBPO-UHFFFAOYSA-N 411.870 4.169 0 1 HIAF O=C(N[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(Br)cc21)c1ccccc1 1911585345 DYPNMGJAKGSRHF-JOCHJYFZSA-N 421.294 4.269 0 1 HIAF O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 627422 IGACZDWVAUZSAP-KGLIPLIRSA-N 416.836 4.337 0 1 HIAF COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc4cc(F)ccc4n3)C2)cc1OC 12432207 IIIKFWNUJUYXDA-SFHVURJKSA-N 408.473 4.486 0 1 HIAF O=[S@@](Cc1cc(OCc2cc(F)cc(F)c2)ccn1)c1nc2cscc2[nH]1 13448756 OQHQYKFBSIKXIZ-HHHXNRCGSA-N 405.451 4.184 0 1 HIAF COCCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1 13586222 ATXWBUFHRMPRTL-UHFFFAOYSA-N 414.506 4.468 0 1 HIAF CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CO[C@@H]2CCCO2)CC1 13797079 QCGLXCFFWQYKLF-HSZRJFAPSA-N 403.526 4.307 0 1 HIAF COc1cc(C2=C[C@H]3CCCN3C=C2c2ccc(OC)c(OC(C)=O)c2)ccc1O 14824742 OWAOCJZGKFRTJI-GOSISDBHSA-N 407.466 4.237 0 1 HIAF biogenic CCc1c(C(=O)O)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12 14954061 WHYDOZDJTWFLEP-UHFFFAOYSA-N 412.453 4.132 0 1 HIAF C=CCN(C)C(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCc3cccnc3)c(C)c2[C@@H]1O 25204705 HOPOLERVNDRNAI-QATBIIFWSA-N 408.542 4.154 0 1 HIAF biogenic O=C1c2ccccc2OC=C(Cl)N1CCCCN1CCC(c2ncccn2)CC1 28524785 JYKYGGDBYVMQGU-UHFFFAOYSA-N 412.921 4.009 0 1 HIAF O=C(O)c1ccc(N2N=C(c3ccc4[nH]c(=O)oc4c3)C[C@H]2c2ccc(F)cc2)cc1 62224695 WEJFKQDHBKGIHH-FQEVSTJZSA-N 417.396 4.314 0 1 HIAF COc1cccc(OC)c1CNCc1coc(-c2ccc(Br)cc2)n1 72183284 VFRLXMMQAZNMGQ-UHFFFAOYSA-N 403.276 4.411 0 1 HIAF Fc1cnc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)nc1 72185274 BEYOBBXJMUPECI-FQEVSTJZSA-N 415.875 4.151 0 1 HIAF CC[C@@H](C)C(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636898 FWEAWRYIBYIELT-NJYVYQBISA-N 413.606 4.340 0 1 HIAF COc1c(OCC[18F])cccc1[C@@H](O)C1CCN(CCc2ccc(F)cc2)CC1 101454826 QCFZUTYIUYQTPW-RFFBRQACSA-N 404.488 4.171 0 1 HIAF Cc1ccc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1 103226544 OWZQDLAVFYAYEF-XMMPIXPASA-N 404.416 4.086 0 1 HIAF Nc1nc(Nc2ccc(F)cc2)nc(N(Cc2ccnc(F)c2)c2ccccc2)n1 115738634 KTXLQHSHIFKGMH-UHFFFAOYSA-N 405.412 4.209 0 1 HIAF CSc1sc(-c2nc3cc(N)c(N)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920483 RVXOQZQEPGYPST-UHFFFAOYSA-N 416.981 4.013 0 1 HIAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(Br)c(C)c2[nH]1)C(C)C 586933692 WJUSOBGCVXUFBN-AWEZNQCLSA-N 402.358 4.050 0 1 HIAF CC(C)(SCC(=O)O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586959327 NCCPKCVGUCGAFZ-UHFFFAOYSA-N 413.215 4.277 0 1 HIAF CCN1C(=O)C[C@@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@H]1c1ccccc1Cl 587060782 DOIWKGLQOHWQNM-YGRLFVJLSA-N 409.799 4.054 0 1 HIAF O=C(c1ccc(F)c(Cl)c1F)c1c(CO)oc2cc(Br)cnc12 587275967 IBRCGOWOIWXONE-UHFFFAOYSA-N 402.578 4.245 0 1 HIAF CCc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587344053 BOBCZNWOEVSWQQ-XUZZJYLKSA-N 403.409 4.300 0 1 HIAF COC(=O)c1ccc(-c2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2)cc1 587435289 FEQMIEVTTFYZMO-HXOBKFHXSA-N 401.418 4.033 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(F)cc3Cl)nn1)CC2=O 587466344 KIRPFVFDZAZFTK-IBGZPJMESA-N 401.825 4.424 0 1 HIAF CN(C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587572125 NTRHUNSYZFRBJD-QPPBQGQZSA-N 403.434 4.166 0 1 HIAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]1Oc1ccccc1 587600089 KVEJVZSSTYPVGP-OVSMBABESA-N 418.445 4.349 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3cc(F)ccc3c2=O)N1 587734342 QRXPYONLZUESHD-YYSFKGJASA-N 406.226 4.457 0 1 HIAF COc1ccc([C@](C)(O)C[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587804314 ASVXQIHTVWUVIQ-NXXCRTJYSA-N 408.311 4.470 0 1 HIAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587836979 CQUZZYRMHWWNEZ-PRWKNARSSA-N 418.262 4.035 0 1 HIAF Cc1ccc(-n2ncc([C@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2C)cc1 962770971 ULQFWKCKCRHANW-IFMALSPDSA-N 413.443 4.398 0 1 HIAF Cc1cc(=O)oc2cc(OCc3cn(-c4ccnc5cc(Cl)ccc45)nn3)ccc12 1857631586 WRJSPZASRKHTHX-UHFFFAOYSA-N 418.840 4.463 0 1 HIAF COC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@@]2=O 4660607 GKEXYZGYPMGBKK-SSEXGKCCSA-N 419.502 4.417 0 3 HIAF aggregator O=C(NCCCCN1CCN2c3ccccc3CC[C@H]2C1)c1ccc2ccccc2c1 1554005 KIVKVDKAEVGINM-VWLOTQADSA-N 413.565 4.487 0 1 HIAF COc1ccc(Oc2ncc3nc(CCc4ccccc4)c(=O)n(C4CC4)c3n2)cc1 4238513 QQKLYZSVBYUXRY-UHFFFAOYSA-N 414.465 4.108 0 1 HIAF CCOC(=O)CCCOc1ccc2c(c1)c(CC(N)=O)c(CC)n2Cc1ccccc1 13445761 HEYJAXJJAKTSOP-UHFFFAOYSA-N 422.525 4.002 0 1 HIAF CCN(CC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2Br)n1 13794509 OHYRDVPCHIARTK-UHFFFAOYSA-N 407.360 4.013 0 1 HIAF COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NCc2c[nH]cn2)cc1-c1ccccc1 13796755 MNBIAKJXJPWZGD-QFIPXVFZSA-N 420.513 4.006 0 1 HIAF OCCN1CCN(CCCN2c3cc(Cl)ccc3Sc3sccc32)CC1 19364889 AIQZJGRZPNRVCO-UHFFFAOYSA-N 410.008 4.004 0 1 HIAF COc1ccc(Cc2nnc3sc(-c4ccnc5ccccc45)nn23)cc1OC 28712866 CWJJIKZUORAVBH-UHFFFAOYSA-N 403.467 4.009 0 1 HIAF O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)[C@H](c1ccccc1)C1CCCC1 28818649 QEGICHPTRBTPPO-RUZDIDTESA-N 419.569 4.095 0 1 HIAF CC(C)CCN(C(=O)c1cccnc1)[C@H](C(=O)NCc1cccnc1)c1ccccc1 28954046 HZONTUJRAFTUOR-QHCPKHFHSA-N 416.525 4.023 0 1 HIAF CCCCN(Cc1ccccc1C)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40916445 ZFOSIBFBXNSJNE-QHCPKHFHSA-N 414.500 4.055 0 1 HIAF COC(=O)/C=C/c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 45194696 ADUGIAIXXZLOTM-NPMOGHLISA-N 407.432 4.146 0 1 HIAF COc1cc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCC4)ccc1-n1cnc(C)c1 66259310 UORXSNLDCGLILY-VQHVLOKHSA-N 404.495 4.146 0 1 HIAF CCCCN(C)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(F)cc1 73157476 YVJNYQBMGYECSZ-UHFFFAOYSA-N 420.488 4.046 0 1 HIAF COc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 84654854 JCSHNHCWHQCGHC-UHFFFAOYSA-N 403.530 4.174 0 1 HIAF CC(=O)OC[C@]1(O)C[C@]23CC[C@@H]4[C@](C)(COC(C)=O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 85957225 OQDCKOUFTOKDOD-ZTJQIGGLSA-N 406.563 4.257 0 1 HIAF in-man Cc1cccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CN4CCSCC4)cc23)c1 101788178 RURHZZNVIGNNLQ-UHFFFAOYSA-N 416.550 4.238 0 1 HIAF COc1ccc(Br)cc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1 103237053 FNYDWXXYOKJFBK-UHFFFAOYSA-N 414.303 4.468 0 1 HIAF COc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC(C)CC2)cc1 137641332 SPWDCJVNXLPAGG-UHFFFAOYSA-N 414.502 4.452 0 1 HIAF CN1CC[C@H](OCC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 146496067 KATQWVSENDKVPU-IBGZPJMESA-N 408.571 4.295 0 1 HIAF COC(=O)C1=C[C@@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@H]2OCCC[C@@H]12 195481018 COSCUZRDNFVXDW-QBQAKCNGSA-N 409.320 4.297 0 1 HIAF CON(C)C(=O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 221947155 OCGHEKXYNBBMLI-FQEVSTJZSA-N 420.534 4.136 0 1 HIAF Cn1cc(-c2cn(C)c3ccc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc4)cc23)cn1 231375178 JTIOFEOXCFFWJI-QFIPXVFZSA-N 415.497 4.062 0 1 HIAF in-vitro CC1(C)O[C@]2(CC3=CCC[C@]45C[C@]34[C@@H](O[C@H]5c3ccoc3)O2)C[C@@H]1[C@@H]1C=CC(=O)O1 238743907 HRRBKEHQHRGAFZ-BTOLLZNSSA-N 410.466 4.187 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 586962420 WXYNLOYSHJAXSH-XKQJLSEDSA-N 416.934 4.306 0 1 HIAF COc1cc(Br)cc(C=O)c1OCc1nc2c(C)cnc(Cl)c2[nH]1 586979574 GCCFVQJKNHGGJC-UHFFFAOYSA-N 410.655 4.082 0 1 HIAF COc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1OC 586999278 XYMMHSGINCDCRW-ONEGZZNKSA-N 403.232 4.242 0 1 HIAF CC(=O)c1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c1 587006469 OENBWTGEEZDQGJ-UHFFFAOYSA-N 422.282 4.405 0 1 HIAF O=C(O)c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1F 587117267 RGKFGITVXFWIKP-UHFFFAOYSA-N 416.762 4.389 0 1 HIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587191748 YOIAEXKYXSDPSF-HXUWFJFHSA-N 406.486 4.404 0 1 HIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cncc(Br)c2[nH]1 587198384 HXFJLBIKSSGZTK-UHFFFAOYSA-N 422.286 4.246 0 1 HIAF CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCC(O)CC1 587236866 GSESIXHVPSCKES-UHFFFAOYSA-N 417.403 4.376 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378081 UHSODNFYZCJYKP-REWPJTCUSA-N 421.449 4.460 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1N1CCCC1)O2 587390839 OIRFJLCRQVRXOD-OAQYLSRUSA-N 402.498 4.378 0 1 HIAF CC[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438666 QMRDEFLEYDAEAK-UZUQRXQVSA-N 401.503 4.239 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCN(C)C)(c1ccc(OC)c(F)c1)CC2=O 587467983 VOWUGDYVUJVLNO-HSZRJFAPSA-N 401.478 4.305 0 1 HIAF CCOC(=O)N1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)CC1 587512928 GQOOSPDRSWMLRM-NRFANRHFSA-N 424.497 4.143 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(CCC(F)(F)F)CC2)N1 587709061 HPVXNYJGMDUWEL-NSHDSACASA-N 409.265 4.366 0 1 HIAF CCOC(=O)CC[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587768384 CRDSVKRELFRQCY-RBZFPXEDSA-N 421.310 4.104 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(Cc3cccnc3)CC2)N1 587770229 ROHRJEGMXDKMMA-LHSJRXKWSA-N 418.354 4.471 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c3nc(O)ccc23)N1 587776463 CWNUPWABWIBWQK-WVDJIFEKSA-N 417.278 4.345 0 1 HIAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O 587809860 VNLQZAGVTOQTHF-DGIBIBHMSA-N 408.267 4.146 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(N[C@H](C)Cc4cc(Br)c(F)cc41)[C@H](C3)C2 587810108 TVLVCGDCNZNMHO-HEBAWIJMSA-N 422.338 4.317 0 1 HIAF Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587839514 SMEMGJYENBOAPP-YBTHPKLGSA-N 418.262 4.035 0 1 HIAF CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(C)C(C)(C)C)c2n1 653897399 BKTJEOUEFGEBLZ-UHFFFAOYSA-N 408.546 4.329 0 1 HIAF Cc1c(F)ccc2c1[C@@]1(CC(=O)Oc3c(Br)cc(Cl)cc31)NCC2 962297518 JNBOVKTUEWALKL-SFHVURJKSA-N 410.670 4.248 0 1 HIAF CCOC(=O)[C@@]1(c2c(C)cccc2Cl)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962563479 GLQBUIAPWBVTAU-NPMXOYFQSA-N 417.933 4.349 0 1 HIAF c1ccc(CN2C[C@@H]3OC[C@H](C2)[C@]32c3ccsc3CCN2Cc2ccco2)cc1 962703656 CTRFWDJSJPLIFM-IGKWTDBASA-N 406.551 4.126 0 1 HIAF Cc1cc(C)cc([C@]2(c3ccc(CN4CC=CC4)cc3)c3c(cnn3C)CCN2C)c1 963953555 BAHIIYGKPBCOEB-HHHXNRCGSA-N 412.581 4.189 0 1 HIAF FC(F)(F)CN(CC1CC1)C[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772571698 UTJHQIVUYVAWNM-SHTZXODSSA-N 406.456 4.154 0 1 HIAF COc1c2occc2c(OC)c2c(=O)c(C3=NN[C@H](c4ccc(F)cc4)C3)c(C)oc12 1772578481 RQRHUBBBOOETLU-HNNXBMFYSA-N 422.412 4.443 0 1 HIAF COc1ccc(C(=O)Nc2ccccc2-n2cc(-c3ccc(OC)cc3)nn2)cc1 1857647964 HAKVAEFUIDDVAN-UHFFFAOYSA-N 400.438 4.204 0 1 HIAF CC(=O)O[C@@H]1CC[C@H](O)[C@@]23C[C@@H](C[C@H](OC=Cc4ccccc4)[C@@]12C)C(C)(C)O3 2356636861 YHIPIHWCMHCVMP-SJHWQXQCSA-N 400.515 4.093 0 1 HIAF CN(C)c1ccc(NC(=O)N[C@H]2CCCCN(Cc3cccc(Cl)c3)C2=O)cc1 199358664 ZNBVQOXDZRAPSK-FQEVSTJZSA-N 414.937 4.109 0 3 HIAF O=c1[nH]c2ccc(N3CCC(Cc4ccccc4)CC3)nc2nc1Cc1ccccc1 2500064 NBGXRDUKUMLPRO-UHFFFAOYSA-N 410.521 4.368 0 1 HIAF Cc1nc([C@@H](C)NC2CCN(c3cccc(NC(=O)c4ccncc4)c3)CC2)cs1 12080210 ZUGMRVGVDVNZNC-MRXNPFEDSA-N 421.570 4.418 0 1 HIAF COc1ccc(C(=O)[C@@H]2C[C@@H]2CN2CC=C(c3c[nH]c4ccc(OC)nc34)CC2)cc1 45187451 FSKWYDPPJOVLNC-UYAOXDASSA-N 417.509 4.188 0 1 HIAF O=C1CSC(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(F)cc2)=N1 73296748 QJDZBJMJPZWLKU-MRXNPFEDSA-N 418.291 4.369 0 1 HIAF CCN(C)C(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccccc1F 82153144 LWPBNXOSQBFKRG-UHFFFAOYSA-N 408.477 4.038 0 1 HIAF Cc1ccnc([C@H](O)C(F)(F)F)c1-c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1 169700136 XONWSRGXWACTJV-DOXZYTNZSA-N 419.378 4.497 0 1 HIAF Cc1ccc2c(c1)c(CC(=O)O)c1n2C[C@H](N(C)c2nc3cc(F)ccc3o2)CC1 203540970 UPKCDYPJCYUAOV-OAHLLOKOSA-N 407.445 4.308 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3cncnc3)cc2)n1 221120273 AGHPUEYJRHGPKA-HNAYVOBHSA-N 404.474 4.088 0 1 HIAF C[C@]1(c2ccc3c(c2)CNCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347068 LALIKGYOTRIWCZ-ILBGXUMGSA-N 403.453 4.451 0 1 HIAF CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587391241 QPUHDIPODGLNSD-JTHBVZDNSA-N 418.493 4.432 0 1 HIAF COc1cc2c3c(c1)O[C@H]([C@H]1Cc4ccccc4CN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587437627 LCNQDMRGBBNCGS-YYDVJCTNSA-N 421.493 4.173 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(=O)c3ccnn3C)c1)CC2=O 587474840 HSWLSGMXNYOUBA-NRFANRHFSA-N 406.438 4.004 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)OCC)c(OC)c1)CC2=O 587476660 ABWQTCCCEQMCQC-HXUWFJFHSA-N 414.454 4.002 0 1 HIAF COc1ccccc1N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580639 CJUCQFROCMGUNY-ZJSXRUAMSA-N 403.434 4.012 0 1 HIAF O=Cc1cc(-c2[nH]c3c(C(=O)O)cccc3c2N2CCC(C(F)(F)F)CC2)c[nH]1 587637359 HHZIZRWXLCZADE-UHFFFAOYSA-N 405.376 4.452 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(NC(=O)OC(C)(C)C)C2)N1 587744682 SJINHKNAUHHOBI-SPCQOBBISA-N 413.331 4.395 0 1 HIAF COc1ccccc1-n1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587757884 HYTCPVGKTOIEKB-YUNKPMOVSA-N 416.294 4.406 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CN3CCOCC3)c2)N1 587777173 ZNLXZENTTIDIOI-QKKBWIMNSA-N 419.338 4.044 0 1 HIAF CCOC(=O)[C@]12CCCC1=C[C@]1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587792897 DFPUMHLCPZPBOB-OITMNORJSA-N 408.311 4.381 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCC(=O)O)cc2)N1 587793530 NLRDLBXMAIAZJE-ODXCJYRJSA-N 422.294 4.455 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC[C@H]2OCc2ccccc2)N1 587833039 DWAUCIXDXGPSLI-IQVOZAENSA-N 420.322 4.323 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC[C@@H]3CN(C(C)=O)c4cccc1c43)N(C)[C@@H](C)C2 962633501 PHTWCLXSFFAUPY-KBUMFOBPSA-N 406.526 4.068 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccn2-c2ccccc2F)N1 962702032 HHMSWGWKPUBAKP-VQIMIIECSA-N 422.353 4.463 0 1 HIAF C[C@]1(c2cc(Br)cs2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962965552 LHWBEQZNEWMOCE-MEBBXXQBSA-N 422.678 4.305 0 1 HIAF Cc1cc(N2CCC(N3CCCCC3)CC2)n2nc(SCc3ccccc3)nc2n1 1772597421 KNVAQQQNTZEGDR-UHFFFAOYSA-N 422.602 4.180 0 1 HIAF Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn([C@@H]3CCCN(CC(F)(F)F)C3)nc12 1911584207 OZZZXYNMOPESRV-GOSISDBHSA-N 418.463 4.218 0 1 HIAF COc1cccc(CN(C)C(=O)c2cc(COc3ccc4ncccc4c3)on2)c1 12435492 GFYOMYZNYDJRHV-UHFFFAOYSA-N 403.438 4.083 0 3 HIAF COc1ccc(OCCNC(=O)[C@@]2(C)CCN2Cc2ccc3ccccc3c2)cc1 61895926 DGINFDBYVSIEMX-RUZDIDTESA-N 404.510 4.008 0 3 HIAF Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)c2nn(-c3ccccc3)c(C)c12 6945103 HFNYRWWETGTIQF-OAHLLOKOSA-N 417.538 4.402 0 1 HIAF CC1CCN(c2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)CC1 21640285 OXZGMXBMNWCETL-UHFFFAOYSA-N 407.381 4.095 0 1 HIAF COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)cc1OC1CCCC1 26154286 MRPROSGBPDUGHZ-DLBZAZTESA-N 405.491 4.052 0 1 HIAF CC[C@@H](C)C(=O)O[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 44699492 PCZOHLXUXFIOCF-QBTAPYBKSA-N 404.547 4.196 0 1 HIAF COC(=O)[C@H]1[C@H](C)N(Cc2ccccc2)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 66157383 ZPWSMNJWLWWFPP-KKXDTOCCSA-N 406.404 4.150 0 1 HIAF Cc1nc(-c2ccccc2)sc1C(=O)N[C@H]1CCCN(c2cccc(C(=O)O)c2)C1 73224220 XIPHUDHACZTKJC-SFHVURJKSA-N 421.522 4.216 0 1 HIAF COCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc(C)c1 82147597 MIUGCTMNQRRFIK-UHFFFAOYSA-N 424.932 4.136 0 1 HIAF COCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccccc2F)n1 82150493 GUBHEGSVAJLXSY-HNAYVOBHSA-N 400.498 4.040 0 1 HIAF C/C=C/CC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636907 RFASHDHMCDODTP-YOAPFAFISA-N 411.590 4.260 0 1 HIAF COc1nc(/C=C/C(=O)O)cnc1-c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 103265868 UTMPBPFIOZSWJK-HWKANZROSA-N 406.482 4.423 0 1 HIAF COCCNC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 105174657 SFZXCDVQXQADOE-BVPXEZJJSA-N 422.573 4.311 0 1 HIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(OC(F)(F)F)cc1 117588884 PREUJHZJZYDOFS-UHFFFAOYSA-N 409.408 4.096 0 1 HIAF CC(C)Oc1cccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142406708 AYDKEQPACJVIKJ-MDWZMJQESA-N 422.506 4.354 0 1 HIAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](/C=C/c3ccc(F)cn3)CC[C@H]2C)c1 169307301 DCHBSRUTSLBOQU-VZUWTINFSA-N 405.477 4.064 0 1 HIAF COc1cc([C@@H]2c3cc4c(cc3C[C@H]3CSC[C@@H]32)OCO4)cc(OC)c1OC 169333276 CBRABOXRKNQHCU-WDUKFBBWSA-N 400.496 4.108 0 1 HIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3C=C12 504485133 HDAJZIPHBMYKGQ-CDTXBXJGSA-N 421.581 4.290 0 1 HIAF biogenic COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc(Cl)nc5)[nH]c4c3)o2)cc1 587085690 BAXMUROBVADCEZ-UHFFFAOYSA-N 404.817 4.399 0 1 HIAF Cn1ccnc1[C@](O)(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(F)(F)F 587104607 VBTSLDRVJXVWKD-JOCHJYFZSA-N 423.394 4.172 0 1 HIAF Fc1cnc(Br)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc12 587120427 IMZBSXZEPFCUDM-UHFFFAOYSA-N 400.133 4.422 0 1 HIAF CS(=O)(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587208583 BYLMQJKHQPFCLU-UHFFFAOYSA-N 400.459 4.485 0 1 HIAF COC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1Br 587375558 DLLLBGTWJOKXNL-LJQANCHMSA-N 404.260 4.007 0 1 HIAF CCOC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 587401688 WMRRPHMOGDGAEK-RUZDIDTESA-N 417.461 4.113 0 1 HIAF COC(=O)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587510705 ZMTAAERCJWPXIE-QHCPKHFHSA-N 412.869 4.212 0 1 HIAF CCn1cc([C@@]2(C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587555935 MSACZTDDUGWIIX-LAUBAEHRSA-N 400.381 4.039 0 1 HIAF COC(=O)c1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587597312 YDNQOQWHLSRTNF-TZIWHRDSSA-N 404.418 4.142 0 1 HIAF CCC[C@@H](CC1(c2nc3c(N)ncnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781554 LAVYNSGNYANIHA-KRWDZBQOSA-N 407.518 4.297 0 1 HIAF COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O 587808437 QCSCVPAQLHTTAB-BIBXISHDSA-N 422.294 4.320 0 1 HIAF COc1cc(OC)c2c(c1)OCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587832448 BTQUXIKNPJYQGE-PRWKNARSSA-N 422.294 4.166 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@H]1c1csc(-c2cccc(N)c2)n1 961326874 SHIMPCBMHUIJLA-QFIPXVFZSA-N 409.555 4.385 0 1 HIAF CC1=C2CCC(=O)[C@@]2(C)CC[C@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N21 962663086 JIMAUEXRFVVPGE-GVAUOCQISA-N 404.510 4.008 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@@H](C2CCN(Cc3ccccc3)CC2)N1)C(F)(F)F 962764307 LLDRFRACDZZWJA-LEWJYISDSA-N 402.460 4.286 0 1 HIAF C[C@@]1(c2oc3ccccc3c2Br)N[C@H](C(=O)O)Cc2cc(F)ccc21 962890046 ASKVYYPYRYLPHY-IFXJQAMLSA-N 404.235 4.197 0 1 HIAF O=C(O)c1cccc2c1CCN[C@]2(C[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(Cl)c1 963117386 DTZSERWZDLYLFZ-JIQFQSSQSA-N 413.901 4.319 0 1 HIAF COc1cccc(Cc2cc(C)nn([C@@H](C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1 1857618625 JQMCPEBDJPMQGI-HNNXBMFYSA-N 411.889 4.004 0 1 HIAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)CCC[C@](C)([C@@H]2C[C@H](O)C2(C)C)[C@@H]1C3 2356835959 KVWHDTKSQUQVHQ-RNVQCYNCSA-N 414.542 4.401 0 1 HIAF CCCn1c2ccccc2c2cnn(CC(=O)N(Cc3ccccc3)C(C)C)c(=O)c21 6900093 MPWHURWPUDGCJK-UHFFFAOYSA-N 416.525 4.198 0 1 HIAF Cc1cc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2n1CCN(C)C 13611678 FOVUNBGTDTVMGP-UHFFFAOYSA-N 407.539 4.465 0 1 HIAF C[C@@](O)(c1ccc(Cl)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26007466 DBNSJQYHNPJTNN-QZTJIDSGSA-N 412.704 4.034 0 1 HIAF COc1ccc(C[C@H]2SC(=O)NC2=O)cc1C(=O)Nc1ccc(C(C)(C)C)cc1 27620696 ZXZHTAKVGAQELD-GOSISDBHSA-N 412.511 4.139 0 1 HIAF COc1cccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)c1 64527132 VTQGIZQKCPGUNG-UHFFFAOYSA-N 401.825 4.342 0 1 HIAF CN1C(=O)c2ccccc2CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 95556150 PCNFJMCIOJDDMB-UHFFFAOYSA-N 403.322 4.374 0 1 HIAF CCS(=O)(=O)N(Cc1cccnc1)c1cncc(-c2nc3ccccc3s2)c1 96901604 BHIWKCYRDRDVNP-UHFFFAOYSA-N 410.524 4.110 0 1 HIAF COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c(OCC[18F])cc1OC 101164567 XBXGSRGFTFVODB-VNRZBHCFSA-N 407.904 4.028 0 1 HIAF Cc1ccc2nc(N[C@H]3CNC[C@@H]3OC(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c1 206697511 GHIKRRXJYNSNNF-GOTSBHOMSA-N 412.493 4.148 0 1 HIAF CCOc1ccccc1CC(=O)[C@@H]1C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C 299866516 WAZBEPBLIOTKPH-OAQYLSRUSA-N 419.506 4.359 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccccc3[nH]2)c1 586929894 CNWCDLZMVUPCLV-UHFFFAOYSA-N 412.559 4.251 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccnc(Cl)c2[nH]1 586938166 VLXKZMHFNVTPJS-AWEZNQCLSA-N 424.979 4.001 0 1 HIAF Brc1ccc2c(cnn2CCc2nc3ccc(Br)nc3[nH]2)c1 587001114 CNVIULMLRWSQMJ-UHFFFAOYSA-N 421.096 4.075 0 1 HIAF C[C@@H](O)c1ncc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)s1 587021498 IQQMFRFAZHAVNO-RXMQYKEDSA-N 408.199 4.401 0 1 HIAF N[C@H](N=O)c1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587182149 AICGGVLFPREBPO-CYBMUJFWSA-N 412.618 4.212 0 1 HIAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc(OCc3ccccc3)c2[nH]1 587225054 MPFBKCKJYNQTEV-QGZVFWFLSA-N 401.466 4.226 0 1 HIAF COc1cccc(NC(=O)C[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587391015 RBYRDRVAEZDAMW-RUZDIDTESA-N 416.477 4.475 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c[nH]c(C(=O)O)c1)CC2=O 587480878 GDVCOXVLOGPRAX-XMMPIXPASA-N 421.449 4.289 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(Cl)c2)n1 587547855 NWAFSRWWJXJDFM-KNQAVFIVSA-N 419.824 4.329 0 1 HIAF Cc1cc(C)cc(OCc2nc3c(I)cnc(Cl)c3[nH]2)c1 587564611 MMDVICVVLLVKPY-UHFFFAOYSA-N 413.646 4.412 0 1 HIAF COC(=O)c1cccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 587586423 CFJLPVNELVPZQN-AUSIDOKSSA-N 415.401 4.363 0 1 HIAF COC(=O)c1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 587592354 YBNYGPYJVTXUAC-NZQKXSOJSA-N 415.401 4.363 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1cccnc1-c1ncccc12 587778387 MRKSRKBLDVKKLK-WSVYEEACSA-N 424.273 4.019 0 1 HIAF COC(=O)c1ccc2c(c1)CCC[C@@]21NC2(CC2)Cc2ccc(Br)cc21 961745954 BZRYHUDTARNFGL-JOCHJYFZSA-N 412.327 4.494 0 1 HIAF Cc1ccc(S(=O)(=O)n2cccc2[C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1 963108560 XWLGMPYDWOTTBF-XXBNENTESA-N 410.514 4.283 0 1 HIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(CCOc3c(F)cccc32)N1 963170246 IUTLKADGDKEZSY-CRAIPNDOSA-N 415.770 4.123 0 1 HIAF Cn1c(C(=O)O)ccc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963819975 ZSVDCTLTWFEUPG-QHCPKHFHSA-N 401.466 4.019 0 1 HIAF CN1CCc2cn(C)nc2[C@@]1(c1cccc(F)c1)c1ccccc1Br 963956545 YBUOANJSCIQXHC-HXUWFJFHSA-N 400.295 4.102 0 1 HIAF Cn1c(SCCCN2CC3(CCN3c3ccc(F)cc3)C2)nnc1-c1ccccc1 1772623934 HFNDOPJMFKOOBM-UHFFFAOYSA-N 423.561 4.068 0 1 HIAF Cn1ncc2c(=O)n(-c3ccc(Cl)cc3)c(SCc3cccc(F)c3)nc21 1857762406 QWRYCLMVEVKPCX-UHFFFAOYSA-N 400.866 4.204 0 1 HIAF CC(C)C(=O)OCC1=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@@](C)(CC(=O)O)O2 2356653707 ILGOTJMUMBDLFG-IHDINZNASA-N 422.562 4.102 0 1 HIAF COc1ccc2nc3sc(C(=O)NCCN4CCc5ccccc5C4)cc3cc2c1 4901163 ISVDDKUFLXRXKJ-UHFFFAOYSA-N 417.534 4.246 0 3 HIAF C[C@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 1863285 MMOJOYYBEUMETD-VOJFVSQTSA-N 411.310 4.066 0 1 HIAF COc1ccc(N2CC[C@H](c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1 13977831 VVRMNONXXCXQMP-JOCHJYFZSA-N 424.541 4.089 0 1 HIAF Cc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1C 27432277 GTEAALAUDHLJLZ-HSZRJFAPSA-N 412.493 4.265 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H]3CCCC[C@@H]3O)CN(C)[C@H]1C2 27518273 GSCVQDHIWDOSEW-AYJKSNPGSA-N 410.558 4.029 0 1 HIAF COC(=O)COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1 28221376 KQRWSGZWFDFNBM-UHFFFAOYSA-N 404.488 4.328 0 1 HIAF CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc(N)c1 28360409 LCMCIGAXNWMJSW-HXUWFJFHSA-N 405.464 4.126 0 1 HIAF CNc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 28951792 QXMRDWNIKLPTAU-UHFFFAOYSA-N 412.396 4.309 0 1 HIAF COc1ccc(C2=NN(c3nc4ccccc4c(=O)n3C)[C@H](c3cccs3)C2)cc1 40394172 NPGNQYCGVMCDOM-FQEVSTJZSA-N 416.506 4.359 0 1 HIAF CC(C)(C)OC(=O)NCc1noc(-c2c3ccccc3nn2CCc2ccccc2)n1 40394545 XPXCLNUYAWJOPK-UHFFFAOYSA-N 419.485 4.354 0 1 HIAF OC1CCN([C@H]2CC[C@@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1 101437327 UMGZDRCZPRURFJ-AFARHQOCSA-N 400.607 4.424 0 1 HIAF CC(=O)c1ccc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)cc1 103205219 ZCTNSLDAEKJYMQ-HXUWFJFHSA-N 422.547 4.193 0 1 HIAF O=c1c([C@H](Nc2ccccc2)c2nnnn2C2CCCCC2)coc2ccccc12 103269311 LSPQVFNCJJQMFJ-NRFANRHFSA-N 401.470 4.486 0 1 HIAF Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1/C=C\C(N)=O 114039557 QYLGZFIYBBKRBS-SEYXRHQNSA-N 423.520 4.208 0 1 HIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N[C@@H](C)CO)no2)cc1C#N 118271209 KWBICGIAQJQQIG-BTYIYWSLSA-N 418.497 4.020 0 1 HIAF NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)c2ccccc2)cc1 140344314 OFBOGDGBFWUGNW-HSZRJFAPSA-N 411.461 4.135 0 1 HIAF CN(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929264 RZHCKQQQEHGEQR-UHFFFAOYSA-N 421.803 4.195 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587036570 GGPMAWXLEWLNDC-QGZVFWFLSA-N 407.586 4.082 0 1 HIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587052450 AILDIQCLJBZVKD-SECBINFHSA-N 402.626 4.205 0 1 HIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2nc(Cl)c[nH]c-2n1)c1cccc(Cl)c1 587069437 AKCVXSFHXYPZBE-GFCCVEGCSA-N 408.289 4.420 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ncc[nH]c-2n1 587073797 OIKJAEKDSCJAEV-NRFANRHFSA-N 413.909 4.427 0 1 HIAF CN(C)S(=O)(=O)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587209147 KTVZNSIFFHUZET-UHFFFAOYSA-N 414.486 4.364 0 1 HIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)c(C2CC2)n1 587231694 FAGIKSPLBABHSO-UHFFFAOYSA-N 408.458 4.256 0 1 HIAF Cc1cc2c(O)nc(O)nc2nc1-c1cc(Br)ccc1OC(F)(F)F 587368789 WWVQFVOQUGIKRE-UHFFFAOYSA-N 416.153 4.073 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c3ccc(Br)cc3c1=N)O2 587370052 AUCXNTSJIZCIMG-FQEVSTJZSA-N 412.287 4.181 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)[C@@H](C2)C3=O 587416550 AZNKFMPAXXGAKO-MEDUHNTESA-N 414.672 4.075 0 1 HIAF CC[C@]1(c2c(C)n(CC(=O)O)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430922 LDKBGAYZTMXNMH-OSPHWJPCSA-N 405.450 4.096 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(CC(=O)O)c4)cc1)[C@@H](C2)C3=O 587448013 XUBGHHNBEAAHOZ-NBGIEHNGSA-N 400.430 4.478 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(Br)s1)[C@@H](C2)C3=O 587450339 JMCNLQZCTBITRX-PCLZLPMQSA-N 420.328 4.237 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nn3cc[nH]c(=O)c13)CC2=O 587481562 GQBGYBUZBGPJOQ-IBGZPJMESA-N 415.449 4.054 0 1 HIAF COc1ccc(OC)c(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587510182 GAKWGWJYVLSSGT-XMMPIXPASA-N 409.482 4.335 0 1 HIAF O=C1C[C@@]2(C=C(CO)OC=C2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587534952 HHOXVEROJCYHMX-RUZDIDTESA-N 404.462 4.234 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)c1cccnc1 587587910 OOYUKVWHXQJPMH-RDGATRHJSA-N 410.429 4.282 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2ccc(C(F)(F)F)n2)N1 587721836 QGYDWSLEPHCSPI-BJOHPYRUSA-N 406.221 4.253 0 1 HIAF COC(=O)C[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587729523 HGDUVXFERZSIGQ-WYRIXSBYSA-N 410.258 4.068 0 1 HIAF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](N=O)C2 587739113 FQYASICRKQGASB-RSULWSAWSA-N 405.267 4.066 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587741701 ICGORXBRCKZYPX-GIPWTMENSA-N 419.294 4.107 0 1 HIAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2oc(N)nc2c1 587744748 IKMBBQYXHCTYFC-APBUJDDRSA-N 404.283 4.418 0 1 HIAF Cc1ccc(CNC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587756915 SHHCRCTYHMTODG-SPLOXXLWSA-N 419.338 4.353 0 1 HIAF COc1ccc(C[C@@H](C)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1OC 587926248 LOYMAJPLHGZASJ-MRVPVSSYSA-N 400.788 4.340 0 1 HIAF Cc1cnc(-c2ccc3c(c2)CC[C@@H](C)N3C(=O)c2cc(Cl)c(O)cc2O)n1C 653667975 WVWGMHSCWFAKFO-GFCCVEGCSA-N 411.889 4.442 0 1 HIAF COc1ccccc1[C@]1(C2CCC2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957365 BNOIQFNINPMWKK-IERDGZPVSA-N 407.844 4.269 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1ccnc(Cl)n1 963857328 YYANXLRWORYVBX-RDTXWAMCSA-N 417.893 4.164 0 1 HIAF COc1ccc(NC(=O)/C=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 1857544411 QYIMXVFZSAMMCO-VAWYXSNFSA-N 421.522 4.307 0 1 HIAF CCCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n3nc(-c4ccco4)nc23)n1 13472351 OWMCDZATZMOWJW-UHFFFAOYSA-N 416.445 4.096 0 1 HIAF Cn1cnc2c(N(C(N)=O)c3c(F)cccc3F)nc(-c3ccccc3Cl)nc21 13488579 VRNLXQYXUFEIBZ-UHFFFAOYSA-N 414.803 4.179 0 1 HIAF Cc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)cc1 13740950 HUUWRVJBRKRKHX-RUZDIDTESA-N 400.430 4.122 0 1 HIAF COc1ccc2c(C(=O)N[C@@H](C(=O)O)c3ccccc3)cc(-c3ccccc3)nc2c1 13762345 LCBBIMOGUBJROK-HSZRJFAPSA-N 412.445 4.466 0 1 HIAF CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)[C@@H](O)C(C)(C)C 13975714 PGZQBZCWIHOLGU-SJLPKXTDSA-N 411.554 4.012 0 1 HIAF CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@](C)(O)[C@H]2COc1ccc2ccc(=O)oc2c1 15053724 WNANPKYNOALKIV-DRRHGHKVSA-N 400.515 4.136 0 1 HIAF endogenous,in-man CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cc3ccccc3s2)c1=O 25426979 XGNSRNRTJQOZCL-ZBFHGGJFSA-N 410.564 4.039 0 1 HIAF biogenic COc1c(C)cnc(C[S@@](=O)c2nnc(-c3cccc(C(F)(F)F)c3)o2)c1C 26639933 YRBCXQCWZWFYFU-NDEPHWFRSA-N 411.405 4.084 0 1 HIAF C[C@@H](C(=O)O)n1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2 28344082 ORGXYKVKSGNXTR-ZDUSSCGKSA-N 416.474 4.106 0 1 HIAF Cc1cc(C)n2nc(S[C@H](C)c3nnc(SCc4ccccc4F)o3)nc2n1 40408205 JXSKQMHJKXIVKG-GFCCVEGCSA-N 416.507 4.409 0 1 HIAF Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccnc1 48931270 FLABRECGXSQDDB-UHFFFAOYSA-N 407.214 4.161 0 1 HIAF COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CC(C)(C)O3)C(C)C)cc1OC 73167782 LUCOGSCWKCYTOY-UHFFFAOYSA-N 419.543 4.017 0 1 HIAF COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 95894451 FCPFORCSARIMBM-AKFKNWHVSA-N 421.541 4.066 0 1 HIAF COc1ccccc1SCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 96939947 JJFIJUPGWUALNJ-QGZVFWFLSA-N 422.550 4.451 0 1 HIAF COc1cccc(OC)c1[C@H]1[C@@H]2C[C@@H]2C(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258934 VCMQBVOUDONKQG-ZRGWGRIASA-N 407.388 4.322 0 1 HIAF CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cccc(F)c2)CC1 118199407 LKTWGXXEXUQVMN-UHFFFAOYSA-N 409.427 4.335 0 1 HIAF Cc1ccc(-c2cc(NCC(=O)C3CC3)cc(C(=O)N[C@@H](C)c3cnccn3)c2)cc1 143055164 DNLSMIJJWCYOEP-KRWDZBQOSA-N 414.509 4.334 0 1 HIAF CCN(CC)C(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@@]4(C)[C@@H]3CC[C@@]12C 169713513 SLZJMEMEWDUTRZ-ONRNPXSQSA-N 403.611 4.127 0 1 HIAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN[C@H]3CCCC[C@H]32)cc1 253670906 KGERRRVIMYMABD-GVAUOCQISA-N 405.586 4.474 0 1 HIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Br)ncc3[nH]2)cs1 587019672 TVXINIYAJUDNFO-UHFFFAOYSA-N 410.297 4.115 0 1 HIAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc3[nH]ncc3cc2[nH]1 587092594 XAIUGDZUMKOMQT-UHFFFAOYSA-N 401.270 4.461 0 1 HIAF COc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1OC 587184368 RJMLLCWQHJCBSO-VOTSOKGWSA-N 406.223 4.355 0 1 HIAF Cc1cc(F)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587331553 HWRZBWWKLIXZRD-AUSIDOKSSA-N 407.372 4.185 0 1 HIAF CC[C@@]1(c2cc(C(=O)OC)n(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339903 GUMTUFTUCNOXGD-QPPBQGQZSA-N 423.440 4.321 0 1 HIAF COc1ccccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580972 UITBOLNTGCCDIO-XUZZJYLKSA-N 419.433 4.150 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(CCc1ccccc1)CC2 587582462 LIOURSGBHOKOEN-HSZRJFAPSA-N 415.489 4.431 0 1 HIAF CN1C(=O)CCc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587594585 MZKRHOWFZXBJHY-DHLKQENFSA-N 415.445 4.178 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1nccs1)c1nccs1 587620082 WXAKRFFYXRTABV-HNNXBMFYSA-N 408.460 4.211 0 1 HIAF C[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc(Cl)cn1 587655471 IRHFRVVGECQISW-LLVKDONJSA-N 414.799 4.093 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sc(N)nc2C(F)(F)F)N1 587711634 IHNFMXVYELXQPW-DXRPGJJCSA-N 424.261 4.443 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ncccn2)N1 587734584 OCOVWSHZQQAIJI-YUNKPMOVSA-N 416.269 4.343 0 1 HIAF C[C@H]1CN(Cc2ccccc2)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587760176 JGJPDGJNKOYJCY-PDSXEYIOSA-N 403.339 4.470 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccccc3)CC2)N1 587764875 AEJNMFXLEYPROC-AWEZNQCLSA-N 417.322 4.254 0 1 HIAF CC(C)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587789774 BNFZPWPLAZEEIQ-GIPWTMENSA-N 403.295 4.442 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ncccn3)s2)N1 587853951 PBFTVORXYPNTKE-RFAUZJTJSA-N 405.296 4.125 0 1 HIAF COc1ccc2c(c1)[C@@](C)(c1ccc(OC)c(CN3CCOCC3)c1)N(C(C)C)CC2 962085892 BTTPZQUHETVIFX-AREMUKBSSA-N 424.585 4.066 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccc(-c3ccccc3C3OCCO3)cc2)N1 962903223 WPRJSNLWZNQQFQ-GOTSBHOMSA-N 419.452 4.226 0 1 HIAF C[C@]1(CC(=O)c2cccnc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949501 FZFQJPRLLRSHIB-HXUWFJFHSA-N 404.432 4.240 0 1 HIAF CCOCOC[C@]12CCC3=C(COC3=O)[C@@H]1CCc1c2ccc(C(C)C)c1OC 1857645588 IZYNDPRFNCMJPR-URXFXBBRSA-N 400.515 4.277 0 1 HIAF CCOC(=CC(C)=CCOc1c(OC)cc(C=CCO)cc1OC)CC(C)(C)O 2356614065 GMSWMOZEIVVWPB-UHFFFAOYSA-N 406.519 4.116 0 1 HIAF CC(C)c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 95555174 WIPOWTXAOMWCSC-FQEVSTJZSA-N 423.538 4.150 0 3 HIAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OCC)cc1 4041548 QDZOWAYJZYOLLW-GGAORHGYSA-N 409.530 4.159 0 1 HIAF Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3CC2)n1 13560498 BOVVCNDNINYMTL-UHFFFAOYSA-N 402.458 4.125 0 1 HIAF CCC(=O)Nc1ccc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc1C 26824016 SFAAHGJOTFNVAG-UHFFFAOYSA-N 407.558 4.123 0 1 HIAF COC(=O)/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@H](C)[C@H](O)CC=C(C)C)OC1 27892988 SBBZPGWQQLGDRR-PVXROVCTSA-N 410.551 4.110 0 1 HIAF C[C@H]1CCC[C@H](c2cc(-c3ccc(N4CCOCC4)nc3)nc3ncnc(N)c23)[C@@H]1C 27984800 LRVYIKQEJRCWSM-JZXOWHBKSA-N 418.545 4.045 0 1 HIAF COC(=O)c1oc2ccccc2c1NC(=O)CNc1ccc(Br)cc1 64539053 UMOMCXLGDCDRTJ-UHFFFAOYSA-N 403.232 4.033 0 1 HIAF O=C1NC(c2ccccc2)=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(O)c2)N1 73314323 GVKAPNCPHAWDFS-QFIPXVFZSA-N 406.482 4.281 0 1 HIAF COCCn1c(CCc2ccccc2)nc2c(NCc3ccccc3C)ncnc21 82180366 SCWJZHZEIUTHOW-UHFFFAOYSA-N 401.514 4.178 0 1 HIAF CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 103239248 WRYYRMHEPCBQIZ-WOVMCDHWSA-N 414.529 4.009 0 1 HIAF Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NCC(F)(F)F)cn1 143122896 ACMMBKKGADSOBX-UHFFFAOYSA-N 408.355 4.088 0 1 HIAF O=C(NCc1ccc(Cl)cc1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 167297582 VHQCZIIQTHRLRC-UHFFFAOYSA-N 406.873 4.213 0 1 HIAF CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)Nc3ccc(OC)cc3)cc21 169309858 GAXWVBMFBCTPPD-PMERELPUSA-N 420.490 4.094 0 1 HIAF O=C1c2ccccc2-c2cc(-c3ncncc3Br)nc3ccc(O)c1c23 586984424 MMFBBSLMAVJCQK-UHFFFAOYSA-N 404.223 4.371 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnc(Cl)[nH]c-3n2)C[C@H]2CCCC[C@H]21 587024992 DIXXQCLSZLUQNO-YUELXQCFSA-N 401.923 4.094 0 1 HIAF O=c1cccc(-c2nc3c(Cl)ncc(F)c3[nH]2)n1CCOc1ccccc1Cl 587063999 IHXNNXWTNPSRFV-UHFFFAOYSA-N 419.243 4.312 0 1 HIAF Cc1c(Br)ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194923 ZSTJZDFWOMLNPP-CQSZACIVSA-N 411.344 4.151 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)([C@H]2CCCO2)[C@H]1c1ccc(F)cc1 587341051 VFZRKXJZYAPYNL-AOHZBQACSA-N 405.425 4.360 0 1 HIAF CCc1ccc(-c2nc3ncccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587437025 XHQXBZBRYVHUEE-KOSHJBKYSA-N 411.461 4.456 0 1 HIAF CCOC(=O)C(C(=O)OCC)c1[nH]c2ccc(F)c(Cl)c2c1CC(F)(F)F 587629580 CMKZSKFSHDIKAA-UHFFFAOYSA-N 409.763 4.275 0 1 HIAF COc1ccc(-n2cccn2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587756438 DRDDABYKIXXNHX-ODXCJYRJSA-N 416.294 4.406 0 1 HIAF CCCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587765657 CZULSJTVJXAORH-MPBGBICISA-N 403.295 4.123 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(c2cccnc2)N1 587770971 LJQSEOJCHKPOCR-LHSJRXKWSA-N 412.306 4.399 0 1 HIAF COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCCO2 587835593 QJLHMGBQDKOJQY-PRWKNARSSA-N 422.294 4.382 0 1 HIAF Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 587839642 UFLYVVKMTMZSHH-MPBGBICISA-N 404.279 4.292 0 1 HIAF CCc1ccc([C@@]2(c3cnccc3C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963237372 XTZOLHIZYPSDFU-VPUSJEBWSA-N 423.516 4.391 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCCN(C(=O)Oc2ccccc2)CC1 963634067 IWPLGWMGJCSCOL-OSPHWJPCSA-N 410.514 4.118 0 1 HIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(Br)c4nc(N)[nH]c4c3CC[C@H]21 1772581176 MWEHCPUDCJBPGN-UPRAQXHNSA-N 406.324 4.091 0 1 HIAF COc1cccc(CN(C(=O)c2ccccc2)[C@@H](C(=O)N(C)C)c2ccccc2)c1 1772628787 AXAIDJIYUCMBCF-HSZRJFAPSA-N 402.494 4.167 0 1 HIAF CNC(=O)c1cccc(Nc2ncnc(N3CCC(c4ccc(Cl)cc4)CC3)n2)c1 1772633579 BVGIRDZLEOCBSD-UHFFFAOYSA-N 422.920 4.012 0 1 HIAF O=C(c1cc(Cc2nnc(O)c3ccccc23)ccc1F)N1CC2(CCCCC2)C1 1857636187 ITXDLXUWYCUBOT-UHFFFAOYSA-N 405.473 4.472 0 1 HIAF FC(F)(F)c1cccc(Cn2cnc(-c3cc(-c4cnn[nH]4)ccn3)c2)c1Cl 1857656488 UETKJEROPXQZIY-UHFFFAOYSA-N 404.783 4.451 0 1 HIAF COc1cc2c(cc1OC)CN(C1CCC3(CC1)O[C@@H](OC)Cc1ccccc13)CC2 1857748364 DHSJPRODTDDOQJ-DKEBNAFJSA-N 423.553 4.445 0 1 HIAF CCN1c2ncc(CCc3ccnc(C)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 5841364 SQZJOEJUKUFRRK-UHFFFAOYSA-N 407.905 4.367 0 1 HIAF Cc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 6018967 HNCUVZVXDCZORK-NVSKSXHLSA-N 412.533 4.175 0 1 HIAF CN(C)CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 13684897 DCQXVAIJRFQZJG-NRFANRHFSA-N 402.947 4.465 0 1 HIAF CN(C)C(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 13795575 FLFKTULMQZFHSS-DEOSSOPVSA-N 409.489 4.461 0 1 HIAF CSc1ccc([C@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@H]2O)cc1 27733890 MLSZXJCNMSDLMX-RBUKOAKNSA-N 423.003 4.164 0 1 HIAF O[C@@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCCc1ccc(F)cc1 28457112 DTTQTDUZOHHUFF-ISJGIBHGSA-N 405.513 4.308 0 1 HIAF COc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@H]32)ccc1O 33742291 DOHAFUYYATUHNR-GOTSBHOMSA-N 424.541 4.231 0 1 HIAF CO[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(C)=O)c(C)s2)C1 40011803 LYNTZTZGCPNFQC-ZWKOTPCHSA-N 413.543 4.171 0 1 HIAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(-c3ccncc3Cl)nnc2c1 68119980 NZCDHWXRRMMWDP-UHFFFAOYSA-N 421.863 4.451 0 1 HIAF Cc1cccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2C(=O)N2CCCC2)c1 82146041 ULBWUQRNZWFCGT-UHFFFAOYSA-N 416.481 4.029 0 1 HIAF COc1ccccc1CCNC(=O)c1cnc(NCC2CC2)nc1-c1cccc(C)c1 82147161 USUFNVOYLUFNKZ-UHFFFAOYSA-N 416.525 4.255 0 1 HIAF CC(C)(O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144930612 YODHNGOOSWAVEO-HXUWFJFHSA-N 406.379 4.239 0 1 HIAF COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1C 221613641 YXUGSFGCRDCTSL-UHFFFAOYSA-N 412.493 4.201 0 1 HIAF C[C@@H]1CC[C@H]2[C@@H](CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C(=O)O[C@]23[C@@H]1CC[C@@]1(C)O[C@H]13 299884262 STFFSDASJHIJJV-OTSWMPLOSA-N 401.591 4.412 0 1 HIAF CN=c1nc(NC2CCNCC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 473084272 GEFNYZPICHHWRP-UHFFFAOYSA-N 407.465 4.005 0 1 HIAF Oc1cccc([C@@H](O)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 586891268 NYFUUVLIOOPMRI-CYBMUJFWSA-N 403.154 4.011 0 1 HIAF CN1C(=O)[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21 586987398 ADNUNNCBVQARGO-JOCHJYFZSA-N 420.424 4.095 0 1 HIAF Cc1cc(F)c2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 587170795 SLBFNRCRMNLQOS-LJQANCHMSA-N 413.449 4.217 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239432 KRIRQMMAWSSHKE-VQZRKKFQSA-N 406.914 4.166 0 1 HIAF CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 587327641 HLKUZENRWMFMGM-OFNKIYASSA-N 423.827 4.416 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-n1nc(C(=O)OC)cc1C)CC2=O 587475740 OLJQKHILWBYSHM-JOCHJYFZSA-N 420.465 4.332 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-n1c2nc2ccccc2c1=O 587521171 ALTZBEWSQSHLCF-HHHXNRCGSA-N 420.468 4.487 0 1 HIAF CN(C)/C=C/[C@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551839 KLSUECBGBIPMCO-PRHGUUPGSA-N 422.868 4.373 0 1 HIAF CCc1noc(C2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)n1 587589234 WMXIGTZNKDUNHF-OJAOPOQLSA-N 406.438 4.396 0 1 HIAF Cc1nc2sccn2c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657625 YUAUVPLNQUQVPW-UHFFFAOYSA-N 422.416 4.048 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3[nH]cnc(Cl)c2-3)N1 587703812 HLHOTWJYNLWZRE-QPFGOUBPSA-N 409.690 4.262 0 1 HIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O 587745132 VFZWSAAPAPKEBV-BIBXISHDSA-N 421.310 4.353 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cccnc3)CC2)N1 587764981 AWRMFHFLJANRLZ-AWEZNQCLSA-N 404.327 4.009 0 1 HIAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)OC 587801648 MYAKXFZQDDVVIX-WLRWDXFRSA-N 422.294 4.397 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNC(=O)c1cccs1 587861411 OXAKRUVQCIVJMP-UHFFFAOYSA-N 424.309 4.387 0 1 HIAF COc1cc(C2(c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)CC2)ccc1C 587927135 NWNXSOSBSJXXFG-UHFFFAOYSA-N 401.470 4.019 0 1 HIAF COC(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4cccc(OC)c4)cc3)nc2c1OC 587930384 AVNRWCCQHKKJBT-UHFFFAOYSA-N 416.433 4.265 0 1 HIAF Cc1c(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)cnn1CCC(=O)O 653713223 IHSGRWCPDNBVRB-UHFFFAOYSA-N 406.895 4.292 0 1 HIAF Oc1nccc(N[C@H]2CC[C@@H](NCC(F)(F)F)CC2)c1-c1nc2ccccc2[nH]1 653723543 NSAPGBLGVOHVNJ-BETUJISGSA-N 405.424 4.206 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@@H]3c3cn(C)cn3)nc(Cl)c2C)s1 653805830 RRRWGGNSFDQDHO-KBPBESRZSA-N 418.954 4.040 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 962950459 RPQFNEHMQIUYRU-UPCLLVRISA-N 411.546 4.087 0 1 HIAF CCOC1CC([C@H]2c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)C1 963854359 OWRNMSILENRVCM-HTZGDQIUSA-N 403.519 4.488 0 1 HIAF Cc1cc2nc(CO[C@@H]3CN(Cc4cnc5ccccc5c4)C[C@H]3F)[nH]c2cc1C 2356312276 MLYMHCGEUIFTSU-AUSIDOKSSA-N 404.489 4.467 0 1 HIAF COc1cc(C=C[C@@]23NC(=O)CN2c2ccccc2C3(C)C)ccc1OCC(C)C 2356740873 QGTVPTQVTVJGKZ-RUZDIDTESA-N 406.526 4.367 0 1 HIAF CSCC[C@@H](C(=O)Nc1c(C)cccc1C)N1CCN(c2ccc(F)cc2)CC1 72104206 NVBCILNRMAEHKY-NRFANRHFSA-N 415.578 4.325 0 3 HIAF COc1ccc2c(Cc3c(Cl)cncc3Cl)n[n+]([O-])cc2c1OC1CCCC1 1490208 WGCLVKDICJNHNO-UHFFFAOYSA-N 420.296 4.491 0 1 HIAF Brc1cccc(Nc2ncnc3cc(NCCCn4ccnc4)ncc23)c1 21289090 QENYREVCVOGEQU-UHFFFAOYSA-N 424.306 4.230 0 1 HIAF O=C(O)/C=C\n1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2 28340181 SSPUPFQFVKYPLZ-QXMHVHEDSA-N 414.458 4.015 0 1 HIAF CCCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1 28476702 ARKDZCCIVLHVRD-RUZDIDTESA-N 407.602 4.174 0 1 HIAF O=C1N(CCCCCCOc2ccc(Br)cc2)CCN1c1ccncn1 29399346 UHUAZIDZLNCDAY-UHFFFAOYSA-N 419.323 4.121 0 1 HIAF CC(C)(C)C(=O)O/C(=C1\C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 29469617 AGRSVVKKOLPOQI-PFONDFGASA-N 422.865 4.424 0 1 HIAF CCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 36486834 LFGZMZXZOVNLKZ-MJGOQNOKSA-N 417.527 4.382 0 1 HIAF CCN(CCCCCC(F)F)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 40465887 HIOTUWOWMABMNE-SFHVURJKSA-N 406.539 4.019 0 1 HIAF COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)CN(c1ccccc1)C2 84604356 ODLXXMWHARUJEE-UHFFFAOYSA-N 419.433 4.348 0 1 HIAF C[C@@H](c1ccc(F)cc1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 95588081 RSLUSVPJPOLZSM-AWEZNQCLSA-N 406.436 4.499 0 1 HIAF Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCN3CCC[C@H]53)c(=O)c2)cn1 113109172 NYQVZBXUKBYNSF-HSZRJFAPSA-N 410.521 4.393 0 1 HIAF CC1(C)C[C@H](NC(=O)Nc2ccc(Cl)cc2)c2cc(NS(C)(=O)=O)ccc2O1 169340004 MNNQMMBIFSLWIQ-INIZCTEOSA-N 423.922 4.135 0 1 HIAF COc1ccc2ncc(S(=O)(=O)c3cccc(F)c3)c(N3CCC(C)CC3)c2c1 201540520 ISDZASYQKFWPPA-UHFFFAOYSA-N 414.502 4.452 0 1 HIAF COCCN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 214818487 NRWINRAYDBDNTH-OAQYLSRUSA-N 418.497 4.286 0 1 HIAF CO[C@]1(C(F)(F)F)C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 261126934 KKHHXBXVLWYZEV-HWWDLCQESA-N 405.482 4.247 0 1 HIAF CN(CCn1cc(CNc2ccnc3cc(Cl)ccc23)nn1)Cc1ccccc1 473083098 MMVRDQAIEWGSKE-UHFFFAOYSA-N 406.921 4.224 0 1 HIAF Cc1cccc(-c2ncccn2)c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473162848 RWBCSTYSWNPGRW-KPFFTGBYSA-N 418.472 4.058 0 1 HIAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c2)o1 586923374 JNHAXPRXQAUPJH-UHFFFAOYSA-N 424.526 4.447 0 1 HIAF Cc1c(F)ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 586946956 WRYAEJKHDPNDKE-UHFFFAOYSA-N 407.517 4.279 0 1 HIAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(F)cc2[nH]1 586984144 NELANIGCMZSSLQ-GFCCVEGCSA-N 413.088 4.470 0 1 HIAF CCOC(=O)Cc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586996277 UGNNJLPAMFIBSK-UHFFFAOYSA-N 402.292 4.086 0 1 HIAF C[C@@H](O)c1ncc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)s1 587022196 OWXHLHSTDGUASJ-RXMQYKEDSA-N 408.199 4.401 0 1 HIAF CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420553 INTCXGZJFSGFGO-PMAPCBKXSA-N 414.885 4.277 0 1 HIAF COC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547324 LTQXAIZYUADUND-AVRDEDQJSA-N 410.809 4.076 0 1 HIAF C[C@]1(c2cnc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551426 FGWVKOUCRILTJB-IFXJQAMLSA-N 403.221 4.366 0 1 HIAF Cc1ccccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581265 VIQACJRVFPHAAI-URXFXBBRSA-N 403.434 4.450 0 1 HIAF COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598156 AUYQQOKDBCYQKM-URXFXBBRSA-N 420.417 4.123 0 1 HIAF CN(C)C(=S)Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587614946 VWSKSPBSKMCPLC-KNQAVFIVSA-N 421.474 4.320 0 1 HIAF O=c1c2cc(Cl)ccc2cnn1-c1nccc(-c2ccc(OC(F)F)cc2)n1 587651385 ILDDASDKCAFVOO-UHFFFAOYSA-N 400.772 4.098 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2cnn(C)c2)N1 587732509 NNCCKVUXJRHFRS-FKIZINRSSA-N 418.285 4.287 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](N=O)C(=O)Nc2ccccc2)N1 587741731 IEOZWFQQWKPLGC-JPJOULJCSA-N 420.282 4.111 0 1 HIAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2oc(N)nc2c1 587747974 TVDWQYHCIJWOBC-APBUJDDRSA-N 404.283 4.418 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3ccccc3)nn2)N1 587762199 XLTPEXZDGFAOBT-ZUOKHONESA-N 415.310 4.026 0 1 HIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 587787715 WCLKJBHCIZEKPL-UONOGXRCSA-N 418.234 4.111 0 1 HIAF COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC 587808089 OSYUMNTXBQBECD-GIPWTMENSA-N 424.310 4.412 0 1 HIAF CNC(=O)c1ccc(Oc2cccc(NC(=S)Nc3ccc(OC)cc3)c2)nc1 653794062 CGYZZECTFDKJNH-UHFFFAOYSA-N 408.483 4.051 0 1 HIAF Cc1ccc2c(c1)[C@]1(CCS2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962676963 YNFWCZQYWCPEGL-ZEQRLZLVSA-N 404.535 4.381 0 1 HIAF CC(=O)C[C@@H]1CCCC[C@]12N[C@@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963189442 WPLNBYJXJFSMKZ-WRSAYESZSA-N 403.828 4.322 0 1 HIAF CCOC(=O)CCC[C@]1(CC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963205667 XGVHZXPUUNFWKH-QAPCUYQASA-N 421.843 4.296 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc(F)c(F)c2F)N1 963206880 ZDUZVPRQNZCQMZ-BONVTDFDSA-N 409.713 4.464 0 1 HIAF CN1CCc2c(Br)cccc2[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]12 963270715 QXBZFBVHCFFLKO-OWZDWXTDSA-N 407.352 4.019 0 1 HIAF O=C(Cc1ccccc1)N1N=C(c2cc(Cl)ccc2Cl)C[C@]1(O)C(F)(F)F 1857637414 XDMFNUDZFFBBJU-KRWDZBQOSA-N 417.214 4.423 0 1 HIAF C[C@@]12C=C[C@]3(C1)[C@@H](CC2)[C@]1(C)CCC[C@@](C)(COC(=O)CCC(=O)O)[C@H]1C[C@H]3O 2356576247 SGSLKSWEAHEFTA-YXXWAADTSA-N 404.547 4.334 0 1 HIAF CCn1ncc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(C)cn2)c1C 4614938 ZQHWWRQPRDHGTA-OAQYLSRUSA-N 405.502 4.362 0 1 HIAF CCOC(=O)[C@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 58487129 BBQBTBVMEIXHOV-MYGLTJDJSA-N 415.480 4.485 0 1 HIAF O=C1O[C@@](CO)(COC(=O)c2ccccc2)C/C1=C/c1ccc(-c2ccccc2)cc1 26988747 MTAAXYMQPQSRMP-OFCKJYIJSA-N 414.457 4.272 0 1 HIAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3Cc3ccccc3)Oc3ccccc32)cc1 2356298910 JRBCURPXLZXXEF-LADGPHEKSA-N 414.505 4.264 0 1 HIAF CCc1nc2ccc(C(=O)NCCC(C)C)cn2c1N(C)Cc1ccc(OC)cc1 61904269 MRZNXRACSWBPHY-UHFFFAOYSA-N 408.546 4.318 0 3 HIAF CC(=O)CC1=C(C)C=C2C[C@H](C)C(=O)[C@H](C)[C@@H]2[C@H]1C=C(C)[C@@](C)(C=CC(=O)O)CO 2356593959 CHUCWMVYHNBUQI-QBVZUPJLSA-N 414.542 4.285 0 1 HIAF O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1CC(=O)C(F)(F)F 49808310 RFFSFUBWIPCNFO-YBEGLDIGSA-N 421.396 4.433 0 1 HIAF O=C(CP(=O)(O)O)NCCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1 40955780 FTECOIYFZOXQBO-UHFFFAOYSA-N 418.213 4.012 0 1 HIAF COc1cccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)c1 84714230 SIHNWEFMEXZLGL-UHFFFAOYSA-N 401.466 4.140 0 1 HIAF Cc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCOCC2)cc1Cl 144267267 CDBKAXKJTYKYDQ-UHFFFAOYSA-N 420.893 4.005 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C(c4ccc(O)cc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O 587454898 ZGDYUIOUZTYAPF-UQBPGWFLSA-N 414.413 4.183 0 1 HIAF CN[C@H](c1cccnc1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587223598 OGGPZKUOOSXUER-GOSISDBHSA-N 403.324 4.454 0 1 HIAF O=C1C[C@](c2ccc(-c3ccccc3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 587531393 ZXLOBYIPZQSYPL-SANMLTNESA-N 400.474 4.404 0 1 HIAF Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nn2)cc1 587760933 RFZOURVZPMKXGT-XCLFUZPHSA-N 415.310 4.160 0 1 HIAF Cc1ccc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2n1 587140371 DVQSCIUJUSCZLY-INIZCTEOSA-N 410.902 4.125 0 1 HIAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 586944395 PQWMQSORIORMBO-UHFFFAOYSA-N 419.478 4.091 0 1 HIAF CCc1ccc2c(c1)[C@]1(CC(=O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 587838281 NFSHKIVYACFDCN-BIBXISHDSA-N 404.279 4.238 0 1 HIAF O=c1cccc(-c2nc3cc(F)c(F)cc3[nH]2)n1CCOc1ccccc1Cl 587064386 RPICXCZKACEWDF-UHFFFAOYSA-N 401.800 4.402 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(Cn1nc(C)c(Br)c1C)CC2=O 587458068 PLVFODNKXJDTIZ-IBGZPJMESA-N 407.308 4.345 0 1 HIAF O=C(OCc1ccccc1)C1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596377 VHPCYHYFCITZJJ-VHCIKCAMSA-N 416.429 4.246 0 1 HIAF COC(=O)c1ccc([C@]2(C(F)(F)F)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962640528 WPVLQCMPPHUTOD-LRTDBIEQSA-N 423.431 4.173 0 1 HIAF CC(C)(C)OC(=O)N1CCC2(CCCC[C@@]23NCCc2c(C(=O)O)cccc23)CC1 963124566 RMOVWTSVRRORQR-DEOSSOPVSA-N 414.546 4.317 0 1 HIAF CCOC(=O)CC[C@]1(c2ccc(F)cc2)NCCc2cnc3c(OC)cccc3c21 963046912 LQYROICHJSVZDI-XMMPIXPASA-N 408.473 4.115 0 1 HIAF Cc1c(O)ccc2c1[C@](Cc1ccccc1)(c1cccc(Cl)c1)N[C@H](C(=O)O)C2 963490465 KCDXBXYGXMZECG-RDPSFJRHSA-N 407.897 4.439 0 1 HIAF Cn1ccnc1[C@H]1CCCCN1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 12431051 ZTWUCZBTBPRWPJ-MRXNPFEDSA-N 405.424 4.140 0 3 HIAF COc1cccc(C2=C(C(=O)O)[C@H](c3ccc4c(c3)OCO4)Oc3ccccc32)c1 13473348 IUEWUCCUXFCCCP-QHCPKHFHSA-N 402.402 4.444 0 1 HIAF CCN(c1nc(C)cc(N2CCNCC2)n1)c1ccc(C(C)C)cc1Br 13794616 PHIJKUDBZJDAPF-UHFFFAOYSA-N 418.383 4.239 0 1 HIAF COC[C@H]1CCCN1C(=O)[C@@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169722900 BISDATDRFVQCJJ-NIKGAXFTSA-N 421.328 4.139 0 1 HIAF Cc1ccn2c(C(=O)Nc3cc(-c4noc(C5CC(F)C5)n4)ccc3C)cnc2c1 206102060 MADGFKMGRAUDJD-UHFFFAOYSA-N 405.433 4.469 0 1 HIAF CC(C)=C1C[C@H]2C(C)(C)[C@@]3(Br)C(=O)c4c(O)cc(O)cc4[C@]2(C1)C3=O 1857589411 KULCMVUSKSFQHI-PNHOKKKMSA-N 405.288 4.021 0 1 HIAF COc1ccc(N(C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 1857602625 UTWDJGBBRINPQO-UHFFFAOYSA-N 401.434 4.312 0 1 HIAF CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 1857640731 SVCUEXCBEWPVLW-UHFFFAOYSA-N 414.841 4.398 0 1 HIAF CC[C@H](Cc1ccc(OC)c(C(=O)NCc2cccc(C(F)(F)F)c2)c1)C(=O)O 12358328 NGHPKMCZJBQCQX-OAHLLOKOSA-N 409.404 4.297 0 1 HIAF Cc1c(C2CCN(CCN3CCNC3=O)CC2)c2ccccc2n1-c1ccc(F)cc1 13731225 OOHASZCAJGUYFP-UHFFFAOYSA-N 420.532 4.283 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)O)n2nccn2)cc1 13974182 MBNINRCJDJMURD-QFIPXVFZSA-N 416.481 4.285 0 1 HIAF in-vitro C[C@@H](NC[C@H](O)C[P@](=O)(O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 31393665 ZODSPDOOCZZEIM-CJNGLKHVSA-N 402.258 4.476 0 1 HIAF in-vitro O=C1N(CCN2CCC[C@H](OCc3ccccc3)C2)CCN1c1cccc(Cl)c1 43009464 GESNZTWIXMSIMZ-QFIPXVFZSA-N 413.949 4.263 0 1 HIAF CN1CCN(c2ccnc3ccc(NC(=O)Cc4ccc5ccccc5c4)cc23)CC1 45188274 FCSFACIYBUNVGL-UHFFFAOYSA-N 410.521 4.321 0 1 HIAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)c(Cl)c3)sc12 64560837 VROQKFSIHOTUBP-NSHDSACASA-N 404.898 4.019 0 1 HIAF c1ccc(-n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)cc1 68149933 NMGQIPHNZLRCPJ-UHFFFAOYSA-N 421.508 4.122 0 1 HIAF CCCCCN1C(=O)[C@](CCC(=O)OC)(c2ccc3c(c2)OCO3)c2ccccc21 71333095 GYEHECPMYVJHCI-XMMPIXPASA-N 409.482 4.191 0 1 HIAF O=C([C@@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@H]1c1cccc(F)c1 95562035 OXPBOTODAMHWNT-REWPJTCUSA-N 402.425 4.343 0 1 HIAF CC(C)C(=O)N[C@H]1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167066441 PNWOCRDTLIVLAU-NRFANRHFSA-N 404.514 4.337 0 1 HIAF O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1 205011145 NZTLRSPKGQXGEB-GOSISDBHSA-N 415.472 4.163 0 1 HIAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)OCO4)nn3ccnc23)n1 207348388 CPXQURMEVHJHGO-HNNXBMFYSA-N 414.469 4.252 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2[C@@H](CCC[C@H]2c2ccccc2)C1 253691691 SOGJYZZBYBPOFE-WWMYMODYSA-N 413.949 4.419 0 1 HIAF COC(=O)[C@]1(/C=C/[C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@H]21 299813679 KAZMGBQDEYZMGJ-AFKNXDIASA-N 409.320 4.297 0 1 HIAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C)c(Cl)cc4[nH]3)c2)o1 586923876 ZLEOVXOJJXRNLX-UHFFFAOYSA-N 416.890 4.111 0 1 HIAF O=[S@](CCCc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 586959659 LELSUWVGGKMEMK-XMMPIXPASA-N 417.250 4.483 0 1 HIAF COC(=O)c1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001022 KLGUCUQPSMEXQF-WAYWQWQTSA-N 415.243 4.054 0 1 HIAF CC(C)n1c(-c2nc3cc(N)c(N)cc3[nH]2)cc(Br)c1Br 587005087 MMJAWPPJMTUWIL-UHFFFAOYSA-N 413.117 4.302 0 1 HIAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)s1 587023756 HLLBPWPTXPYPGT-UHFFFAOYSA-N 400.291 4.659 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587423179 RZFABCHSYUOVCQ-YWZLYKJASA-N 421.371 4.129 0 1 HIAF C/C(=C\[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587572509 PQCQMPUCJMPDLE-GKSNLTCRSA-N 402.450 4.110 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccc(F)cc2)c1 587573351 VYPHHRHRBRDEAJ-URXFXBBRSA-N 416.408 4.479 0 1 HIAF CCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587586779 JQPSKJDUIVIXRS-YKSBVNFPSA-N 401.418 4.006 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597834 SAXCHBMPDZSKDV-RDPSFJRHSA-N 404.418 4.121 0 1 HIAF O=C(c1ccccc1OC(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658971 WLAFPMVVMNYEGX-UHFFFAOYSA-N 410.351 4.493 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(=O)n(C)c3ccccc23)N1 587766096 FBYKXNHGYSKCMJ-YBTHPKLGSA-N 401.279 4.064 0 1 HIAF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587805268 FEQGCHPCDAEQKR-YPMLDQLKSA-N 408.267 4.007 0 1 HIAF CC(=O)C[C@@]1(c2ccc(Cl)cc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962628397 CMOQOIOWGIEMRV-DNQXCXABSA-N 422.912 4.210 0 1 HIAF O=C(O)c1cn2c3c(sc2n1)[C@]1(CCC3)NCCc2cccc(-c3ccccc3)c21 962663215 DUKYVPQUOKONFN-XMMPIXPASA-N 415.518 4.487 0 1 HIAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CF)(c2ccc(Cl)cc2)N1 962708409 ZASFTWNHLZELLX-NVXWUHKLSA-N 405.750 4.310 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cn3cc(Cl)cc(Cl)c3n2)N1)C(F)(F)F 962728488 DXPYMVCFGSIZCP-ZFWWWQNUSA-N 414.214 4.376 0 1 HIAF CC[C@]1(Cc2ccccc2Br)NCCc2ccc(C(=O)N(C)C)cc21 962931470 NQCNMYZOKDPJLO-OAQYLSRUSA-N 401.348 4.145 0 1 HIAF COc1cc2c(cc1OC)[C@H](c1ccncc1Cl)N(C(=O)c1ccccc1N)CC2 963162664 YGGININKBDYMRW-QFIPXVFZSA-N 423.900 4.122 0 1 HIAF Cc1c(C(=O)Nc2c(C)n(C)n(C(C)C)c2=O)noc1[C@H]1CCC[C@@H](C(C)(C)C)O1 1772582827 IHDWQGDZRHONMF-CVEARBPZSA-N 418.538 4.281 0 1 HIAF Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3nc(N)[nH]c3c2)c1 1772621331 BIOWNCLYQIVDGS-UHFFFAOYSA-N 407.495 4.006 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(F)cc2)C(=O)OC)cc1 1772643748 AYRYEYLUDKEVTH-KSFYIVLOSA-N 401.478 4.214 0 1 HIAF O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)c1ccc(N2CCOCC2)cc1 1857551625 HLJZMXJIFWTHRT-UHFFFAOYSA-N 407.417 4.404 0 1 HIAF FC(F)(F)c1ccnc(N2CCC(NC(=S)Nc3cccnc3)CC2)c1Cl 1857554699 KDFLBIXMRJQZIL-UHFFFAOYSA-N 415.872 4.104 0 1 HIAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CCCOc1ccc(S(C)(=O)=O)cc1 1857641601 MLPLVFMYUCSMQP-QGZVFWFLSA-N 423.575 4.286 0 1 HIAF CC[C@@H]1Cc2cc(OCc3ccccc3)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857772460 WMNLMOUEXUARFU-QGZVFWFLSA-N 405.450 4.308 0 1 HIAF O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCCN2C(=O)c2cccs2)on1 61904909 FAACTIXKLRRFES-QGZVFWFLSA-N 413.474 4.173 0 3 HIAF CC(=O)Nc1ccc(CN2C(=O)[C@@H](C)ON=C2c2ccccc2-c2ccco2)cc1 61908929 HISMQDJIMZHZDR-OAHLLOKOSA-N 403.438 4.014 0 3 HIAF Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)sc(=O)n1Cc1ccc(F)cc1 61925724 ULOBFLKRQCKDIX-UHFFFAOYSA-N 424.419 4.354 0 3 HIAF CN1O[C@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1cccc(C(F)(F)F)c1 205217471 OVWOIYJVHHNSCC-OAQYLSRUSA-N 417.431 4.020 0 3 HIAF COc1ccccc1[C@@H]1CN(Cc2cccn2-c2ncccn2)Cc2ccccc2O1 19218524 AHYGEZPVSTYYQM-DEOSSOPVSA-N 412.493 4.412 0 1 HIAF CCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2C(=O)O)cc1 28885530 ZROMIQFLNUUQEY-UHFFFAOYSA-N 403.438 4.224 0 1 HIAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(Cl)c(F)c2)C(=O)O1 40865054 GERVHRTVNLFBRJ-JUALLIRVSA-N 412.885 4.300 0 1 HIAF Cc1c2ccccc2nc2c1c(=O)n(-c1ccccc1)n2CC(=O)N(C)c1ccccc1 73196866 AJHCJMMEUITVGY-UHFFFAOYSA-N 422.488 4.312 0 1 HIAF COc1ccccc1CCNc1ncc(C(=O)NCC2CC2)c(-c2ccccc2F)n1 82151899 HCRGXIKEYZOIIL-UHFFFAOYSA-N 420.488 4.086 0 1 HIAF CCCC[C@@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 82196179 QZPVVQYOEOXQDL-MRXNPFEDSA-N 406.530 4.030 0 1 HIAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(CC)nn(C)c21 95596514 JGBRLAUJLHTDKZ-UHFFFAOYSA-N 424.589 4.186 0 1 HIAF Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccc(C)c3)cc2)cc1 100092511 RNPHVUOZBPAGHC-QEIWAGNOSA-N 418.562 4.099 0 1 HIAF CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)[C@H](C)CNC4=O)nc2ccccc21 117690025 DZZWBKKISQMUOR-CQSZACIVSA-N 401.470 4.129 0 1 HIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1CCCC2)c1ccc(C#N)cc1 146124807 OGIUOCQHNWDVMX-LAUBAEHRSA-N 418.541 4.202 0 1 HIAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccc(C(C)C)cc1 169349981 XESDFGHOWSFHJI-QFRYPGCFSA-N 412.526 4.394 0 1 HIAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]12 169373634 KCGXXRBMPRXFSA-CFAJVAMVSA-N 406.448 4.348 0 1 HIAF NCC[C@@H]1CNC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)c(-c3ccsc3)n21 207208257 UPTADSCUUNQNDI-CQSZACIVSA-N 421.444 4.416 0 1 HIAF Cc1nn(C(C)C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220179071 WVDZBUCUXBEFHG-LJQANCHMSA-N 410.905 4.183 0 1 HIAF Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2C)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 227395723 LNALFQYNVIFRKC-GZBFAFLISA-N 402.564 4.439 0 1 HIAF O=C(Nc1ccc(F)cc1)c1nccnc1C(=O)Nc1ccccc1-c1ccncc1 299827845 PWNVEIDLMVWPCU-UHFFFAOYSA-N 413.412 4.182 0 1 HIAF CN(C)c1ccc(C(=O)NCCCCN=c2c3c([nH]c4ccccc24)CCCC3)cc1 473092274 SCGXOMNFUQVBHO-UHFFFAOYSA-N 416.569 4.224 0 1 HIAF CC(C)Oc1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 586954504 CBQMTQYYAVKZSV-UHFFFAOYSA-N 405.907 4.065 0 1 HIAF O=C(CSCc1nc2cc3nc(O)[nH]c3cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114194 QGWGRCBTHNXCAS-UHFFFAOYSA-N 421.404 4.036 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)c(OC)cc2[nH]1 587179962 BFPXPJGNQJULDN-QMMMGPOBSA-N 414.222 4.150 0 1 HIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 587197947 BUMXYPFXIWWXOY-UHFFFAOYSA-N 415.515 4.313 0 1 HIAF COC(=O)c1cc(Br)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1 587505597 VBWBODAHLCGFQZ-HXUWFJFHSA-N 418.287 4.323 0 1 HIAF C[C@]1(CCCN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587518024 YWKVJVRHKAMYKJ-VWLOTQADSA-N 403.478 4.366 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589096 TXRNHKRNMDEMDV-DOXZYTNZSA-N 423.465 4.264 0 1 HIAF C[C@H](O)[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610664 DFFWKKCADSOZOD-LFBSBKMHSA-N 402.855 4.345 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(C(F)F)N1 587723391 WODGKBQWLKVOMC-VVVCHXIZSA-N 402.210 4.449 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccn(C)n2)N1 587729112 BTDJSCOPTZHGLI-MPBGBICISA-N 418.285 4.287 0 1 HIAF COC(=O)[C@H](n1cccc1[C@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1C)C(C)(C)C 962641387 SCGWOTYFIBWYAP-RTOPAQNCSA-N 414.546 4.231 0 1 HIAF CC(C)c1nn2ccccc2c1[C@@]1(C(C)C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030340 QPRARJXYUKDPBC-GKVSMKOHSA-N 402.542 4.411 0 1 HIAF O=C1[C@H](c2ccc(O)cc2)Oc2ccccc2[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963113498 RHXPBTOHAXYVTE-LUPFDQBXSA-N 415.464 4.498 0 1 HIAF O=C1[C@H](N2CC[C@@H](c3ccc(O)c(F)c3)[C@H](F)C2)CCN1Cc1ccc(Cl)cc1 1857627720 URBGAGWNXFYVMQ-DFQSSKMNSA-N 420.887 4.113 0 1 HIAF Fc1ccc(Cn2c(N3CCNCC3)nc3ccc(Br)cc32)cc1Cl 1857641166 RUOMXAZEQBJQME-UHFFFAOYSA-N 423.717 4.049 0 1 HIAF Nc1c(-c2ccc(Br)cc2)nc2nc(O)nc(O)c2c1-c1ccccc1 1857645272 RSGDUBVCZNVLQI-UHFFFAOYSA-N 409.243 4.115 0 1 HIAF CC[C@H]1Oc2c(Br)cc(Br)cc2[C@@H]2CC(C)=NN2C1=O 1857758320 NYLGYTWZKHXNMW-NWDGAFQWSA-N 402.086 4.032 0 1 HIAF COc1cc2c(c(OC)c1)C(=O)[C@H](c1ccc3c(c1OC)C[C@H](O)C(C)(C)C3)CC2 2356570870 YOJIDZRPCZHMDV-UWJYYQICSA-N 410.510 4.111 0 1 HIAF CC[C@@H](CO)n1c(SCc2cc(=O)oc3cc(C)ccc23)nc2ccccc2c1=O 2624742 SSCVIULWJKQDQA-INIZCTEOSA-N 422.506 4.047 0 3 HIAF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)N1CCCC1 100705400 CDTFRYJMFLULBS-UHFFFAOYSA-N 422.485 4.085 0 1 HIAF COc1ccc(-c2coc3c4c(ccc3c2=O)OCN([C]2C=CC(C)=CN2)C4)cc1 2356813626 OHDDQFPCQIUFDI-UHFFFAOYSA-N 401.442 4.173 0 1 HIAF CCCCC[C@@H]1OC(=O)c2c(C)cccc2Oc2ccc(O)c(CO)c2C=C[C@@H]1O 2356829330 IXKMZTKNAYOHND-FPOVZHCZSA-N 412.482 4.479 0 1 HIAF Nc1ncc(CCCCNC(=O)OCc2ccccc2)n1CCCc1ccccc1 72141199 LAKQSSMBZVOFSD-UHFFFAOYSA-N 406.530 4.347 0 1 HIAF Cc1ccnc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@H]3C)c1 218497873 YMZRPAMOYRNYTO-LBPRGKRZSA-N 402.285 4.037 0 1 HIAF CN(C)CCCN1Cc2cc3c(Nc4cccc(Br)c4)ncnc3cc21 45495836 PJJVCBIKNDQROX-UHFFFAOYSA-N 412.335 4.408 0 1 HIAF O=C(N[C@@H](CSCc1ccccc1)C(=O)O)c1csc(Nc2ccccc2)n1 82084543 BJUZYTAWRWLUPQ-KRWDZBQOSA-N 413.524 4.003 0 1 HIAF O=C(c1ccc(Cl)c(F)c1Cl)N1[C@H]2CC[C@@H]1c1nnc(-c3cscn3)n1C2 226090247 LEXDKUWFGJVJTC-QPUJVOFHSA-N 424.288 4.207 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H](O)O[C@@H](C3=CC(=O)O[C@H]3O)C[C@H]21 40893327 KBXIJAUSPXZGMP-YCPULVSASA-N 418.574 4.170 0 1 HIAF in-vivo CCN(C)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc(F)cc1 82141562 VGYDAIBWFCCUIN-UHFFFAOYSA-N 424.476 4.004 0 1 HIAF COc1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3c(-c3ccc(OC)cc3)ccc2=O)cc1 25415378 MIZXXKJVQQRJEY-CTNGQTDRSA-N 416.521 4.152 0 1 HIAF biogenic C[C@@H](c1ccc(Br)cc1)N1CC[C@]2(CCCC3(C2)OCCO3)OC1=O 142702622 AUYGDDDAFWMFKL-KSSFIOAISA-N 410.308 4.408 0 1 HIAF COc1cc2c(c3oc(=O)c(-c4ccc5c(c4)OCO5)c(OC)c13)C=CC(C)(C)O2 59778215 QPBYIRHDUCNWKE-UHFFFAOYSA-N 408.406 4.390 0 1 HIAF biogenic Cc1nn(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)c(C)c1CC(=O)O 653713196 AJIKYUOKNHOLKA-UHFFFAOYSA-N 406.895 4.075 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncnc(Cl)c3n2C)N1 587704633 KBYWZMGDGLIFOD-VXJOIVPMSA-N 409.690 4.147 0 1 HIAF COC(=O)C1(c2ccc(F)cc2)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587429441 UAHUBRBAOGQLFW-WZFBRQLOSA-N 410.441 4.006 0 1 HIAF COc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)ccc1OC(C)C 587277064 XUVISXIQSLJVIS-UHFFFAOYSA-N 420.259 4.109 0 1 HIAF COc1cc(OC)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 587185242 ZWZBPKWQNNSKDW-SREVYHEPSA-N 406.223 4.355 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(C(F)(F)F)cc2)N1 587709849 BIHWQHOQDLLMMX-DYZYQPBXSA-N 418.228 4.377 0 1 HIAF Oc1c(Br)ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587004589 XLLMHLXDOXNCMH-UHFFFAOYSA-N 408.053 4.337 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)N1 587741667 HXHWTQCWMISADZ-WQBCIRTESA-N 413.331 4.395 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc4c(cc3[nH]2)OCO4)cc1 586950005 LROURKBVQQDRTJ-UHFFFAOYSA-N 407.451 4.068 0 1 HIAF COC(=O)C[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541164 DJSBDQMSKLZEOH-NZQKXSOJSA-N 424.836 4.466 0 1 HIAF COc1ncc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC 587551833 KJMFRLFURWUOBG-APWZRJJASA-N 413.813 4.161 0 1 HIAF CC(C)(C)C(=O)Nc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580618 SWMFOGJWNAHUHL-RXVVDRJESA-N 418.449 4.475 0 1 HIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(F)cnc(Br)c2[nH]1 587079547 JBFVGEWOPLGPHA-NSHDSACASA-N 408.662 4.237 0 1 HIAF O=C1CCc2cc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c3cc2N1 587115955 HALTVIRYWSGMAK-UHFFFAOYSA-N 411.181 4.291 0 1 HIAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(OC)nc4[nH]3)nc2n1 587114762 HCZCHKGPFFSFID-UHFFFAOYSA-N 422.436 4.432 0 1 HIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(CN4CCCC4)cs3)N12 962675404 WYDFHINXZXPLCZ-QPPBQGQZSA-N 421.566 4.080 0 1 HIAF COc1ccc([C@]2(c3ccc(F)cc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963038739 ZUCOVCOUKFNLGM-LMKMVOKYSA-N 402.469 4.180 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)N1 962940310 AFSFGVGWZPOTEA-WNSKOXEYSA-N 421.522 4.089 0 1 HIAF C[C@H]1c2cnn(C)c2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772588956 UXEUWSAEMLYWQY-MOPGFXCFSA-N 403.530 4.102 0 1 HIAF O=C(c1c[nH]c2cc(OCc3cccnc3)ccc12)[C@@H]1CS[C@H](c2cccnc2)N1 13737460 UNLUNCGDJQPVLF-JTHBVZDNSA-N 416.506 4.123 0 1 HIAF COc1ccc2c(Nc3ccc(NC(=O)CN4CCC[C@H](C)C4)cc3)cc(=O)oc2c1 1857591043 ATMIBKHKEWFPDP-INIZCTEOSA-N 421.497 4.216 0 1 HIAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 775177 DCZWUGDNSOOZFF-GFCCVEGCSA-N 406.816 4.441 0 1 HIAF COc1ccc(CCN(C(=O)c2ccccc2)C2=C[C@@H]3CC[C@H](C2)N3C)cc1OC 1187298 LWQRWVCCOBVUNU-LEWJYISDSA-N 406.526 4.139 0 1 HIAF O=[S@](Cc1cc(N2CCCCC2)nc(-c2ccccn2)n1)c1ccc(Cl)cc1 5521899 FRVGSQGVLSJOQI-NDEPHWFRSA-N 412.946 4.490 0 1 HIAF COc1cc(Nc2ncc(-c3ccccc3C(=O)N(C)C)o2)ccc1-c1cnco1 13473607 DEDWLDGVFJPGPD-UHFFFAOYSA-N 404.426 4.451 0 1 HIAF CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)ccn1 13589519 ZZBDEZLIENWAAA-UHFFFAOYSA-N 409.446 4.163 0 1 HIAF c1nc2c(NC3CCCCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 13648448 SXZJJBXZKSACII-UHFFFAOYSA-N 421.549 4.458 0 1 HIAF CN(C)C(=O)Oc1ccc2c(c1)C=CCN(C)[C@H]2CCOc1ccc([N+](=O)[O-])cc1 13858878 XUOUWGWIRPBWCW-NRFANRHFSA-N 411.458 4.124 0 1 HIAF CC(C)O[C@H](Cc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1)C(=O)O 26466907 GWIUJHBEHNTEIZ-GOSISDBHSA-N 416.861 4.390 0 1 HIAF CC(C)=CC(=O)O[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 27984924 IPTAYEGJXGBMNA-JSRCBNIJSA-N 402.531 4.116 0 1 HIAF CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1cccc(Cl)c1 29130089 QUZXTJYADOYRDB-UHFFFAOYSA-N 413.949 4.162 0 1 HIAF O=C(c1ccccc1)N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72103183 GWOWVHYFEKMHDM-QFIPXVFZSA-N 409.892 4.422 0 1 HIAF Cc1ccc(NC(=O)c2ccc(N)c(N)c2)cc1Nc1nccc(-c2cccnc2)n1 73169919 KAGGHKGZOJRKCO-UHFFFAOYSA-N 411.469 4.007 0 1 HIAF COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82071687 ZWQQIVHMUMMQFZ-GOSISDBHSA-N 412.536 4.015 0 1 HIAF COc1ccc(OC)c(CCNc2ncc(-c3ncc(C)o3)c(-c3ccco3)n2)c1 82165947 RZVOYXUBWIRQPZ-UHFFFAOYSA-N 406.442 4.372 0 1 HIAF OC1=C2C(=Nc3nc(S)nc(O)c3[C@H]2c2ccc(Br)cc2)CCC1 100644700 OMJJALCVDFZRBR-LBPRGKRZSA-N 404.289 4.447 0 1 HIAF COc1cccc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]3C2)n1 116826642 ANYOIWINWLJUKU-IRXDYDNUSA-N 405.523 4.027 0 1 HIAF CC(=O)c1ccc([C@]2(C)Cc3cc(OCC(=O)O)c(Cl)c(Cl)c3C2=O)cc1 169315839 OMDNCCKRHOUGAD-FQEVSTJZSA-N 407.249 4.356 0 1 HIAF COC[C@@H]1CCCN1C(=O)[C@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169720817 BISDATDRFVQCJJ-ZOCIIQOWSA-N 421.328 4.139 0 1 HIAF C[C@@H]1CCCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc23)C1 257372292 VRPPNBZAEUMDSY-XARZLDAJSA-N 401.510 4.337 0 1 HIAF Cc1ccnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc12 586956340 GYONIIKEBSAXGB-UHFFFAOYSA-N 424.913 4.338 0 1 HIAF N[C@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(Br)cc1F 587142537 DPHYPXXMUCQGBI-SNVBAGLBSA-N 404.070 4.409 0 1 HIAF COc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1C 587171148 KQDHPIYMSCAJFD-UHFFFAOYSA-N 411.458 4.487 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1cccc(O)c1)(c1cc(Cl)ccc1N)[C@@H](C2)C3=O 587417221 ASOYWWSBRSGYDG-MBSDFSHPSA-N 407.853 4.328 0 1 HIAF COc1cc2c3c(c1)O[C@@](C(=O)c1ccccc1)(c1ccc(C(C)=O)cc1)[C@@H](C2)C3=O 587445047 HIMYRFJKVQNTJA-LVXARBLLSA-N 412.441 4.424 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccnc1C(=O)O)CC2=O 587485564 IPPRKJQAZOGNSJ-DEOSSOPVSA-N 403.434 4.347 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581482 LKKFWGHTAGQBBF-AVRDEDQJSA-N 407.470 4.018 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)O)c3ccccc23)N1 587754569 DYXFWENEEHJLEU-BIBXISHDSA-N 417.278 4.251 0 1 HIAF CCOC(=O)CC[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587767948 BWUSWKXZBMLQRA-RNODOKPDSA-N 421.310 4.104 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCOCC2)N1 587769901 BRZZSYMIYCVHAL-RNODOKPDSA-N 405.311 4.048 0 1 HIAF COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(O)c1OC 587808688 QNSXZPXZOAZAKZ-DGIBIBHMSA-N 410.283 4.109 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ncccn3)s2)N1 587852125 DIDNLHUIVZRRPF-RFAUZJTJSA-N 405.296 4.125 0 1 HIAF CC(=O)C[C@@]1(c2ccc(Cl)cc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962628402 CMOQOIOWGIEMRV-RPWUZVMVSA-N 422.912 4.210 0 1 HIAF CC(C)(C)OC(=O)NC[C@H]1Cc2c3cccc2[C@@]2(C=COC(C(F)(F)F)=C2)N1C3 962645926 YVHGQWRNDPSZJZ-VLIAUNLRSA-N 408.420 4.137 0 1 HIAF CC(C)c1nn(C)c2c1[C@@]1(NCC2)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 962923188 YMWRHDDRTHHYGY-XMMPIXPASA-N 420.944 4.133 0 1 HIAF Cc1c(O)ccc2c1[C@@](c1ccccc1)([C@@H](C)Oc1ccccc1)N[C@H](C(=O)O)C2 963527704 QEOOWTRMAMAJNC-SAQVGAHLSA-N 403.478 4.011 0 1 HIAF COC(=O)[C@]1(C=C[C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@@H]21 1857622798 KAZMGBQDEYZMGJ-UFTDCDJFSA-N 409.320 4.297 0 1 HIAF N[C@H](Cc1ccc(F)cc1)c1csc(Nc2cc(NCc3ccco3)ncn2)n1 61903507 KSFUQVKXEYQXQU-MRXNPFEDSA-N 410.478 4.263 0 3 HIAF COC(=O)c1ccccc1NC(=O)c1sc2ncnc(N3CCC(C)CC3)c2c1C 2924514 VTWVNGPSWRPVFX-UHFFFAOYSA-N 424.526 4.275 0 1 HIAF O=C1C[C@H](c2ccccc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)O1 13382655 GQAGUHWGUCXTSY-OAHLLOKOSA-N 416.385 4.018 0 1 HIAF biogenic COC(=O)CC(=O)c1c(O)cc(OCc2ccccc2)cc1OCc1ccccc1 13820393 PLWSWHXOBJZWEZ-UHFFFAOYSA-N 406.434 4.296 0 1 HIAF COc1ccccc1/C=C\C(=O)NCCCN1CCC2(CCc3ccccc32)CC1 28569036 XWZAXTMSNMGCNP-QXMHVHEDSA-N 404.554 4.195 0 1 HIAF c1ccc(CCc2nc3c(NCc4ccccc4)ncnc3n2C[C@H]2CCCO2)cc1 82178578 ZIBCHVTXJHEPER-OAQYLSRUSA-N 413.525 4.403 0 1 HIAF COC(=O)COc1cccc([C@H](C)Nc2cc(-c3cccc(OC)c3)nc(C)n2)c1 205342178 HKIJHCBOZFTEMW-HNNXBMFYSA-N 407.470 4.186 0 1 HIAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([C@H](c2ccc(Cl)cc2)C(F)F)CC1 207114110 KSXBFKHWLTYGHZ-INIZCTEOSA-N 417.909 4.130 0 1 HIAF Cc1cc(Cl)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 215513335 KLZGMXHYXJZJMF-UHFFFAOYSA-N 410.886 4.454 0 1 HIAF CO[C@H]1O[C@@H](OC)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C 238745942 YCGYYZXBHVNOIX-OFGSNYAOSA-N 424.578 4.444 0 1 HIAF O=S(=O)(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C1CCCC1 586925206 XBDKSYFBJSEQKC-UHFFFAOYSA-N 411.243 4.202 0 1 HIAF Cc1c(Cl)ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 586943053 NFRNTBRZAYFZPH-UHFFFAOYSA-N 418.733 4.353 0 1 HIAF CN(C)C(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586960355 PAQHYVGHKNLNBT-PMERELPUSA-N 417.534 4.303 0 1 HIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(-n5cnnn5)ccc4[nH]3)c21 587031814 BAUWEXFIMHCFIQ-ZDUSSCGKSA-N 401.499 4.498 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc12 587038891 URPXRQUIKBRBPP-SECBINFHSA-N 423.420 4.209 0 1 HIAF O=S(=O)(c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1)C(F)(F)F 587107962 XYKKOZJLZDHBCC-UHFFFAOYSA-N 408.323 4.466 0 1 HIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cn1 587246649 DSHITSZUBYIMAT-UHFFFAOYSA-N 408.687 4.420 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC13CCN(C(=O)OC(C)(C)C)CC3)O2 587402116 YMTJVTFSJCVMBR-QHCPKHFHSA-N 400.519 4.482 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4ncccc14)[C@@H](C2)C3=O 587432535 QGLZQXPVDGWGOX-MGPUTAFESA-N 406.438 4.317 0 1 HIAF CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587453003 QNAFNKRZYRBVHZ-MGNBDDOMSA-N 413.278 4.270 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cn(C(C)(C)C)nc1C(=O)OCC)CC2=O 587474469 FFXQFGYCINYYGP-SFHVURJKSA-N 400.475 4.179 0 1 HIAF C[C@@]1(c2c(Cl)ncnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554259 WPJKFGUXNIIMPT-ORAYPTAESA-N 403.221 4.366 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC2CCOCC2)nc1 587588973 SPWVCZCMEXSWJB-QPPBQGQZSA-N 419.433 4.048 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587601393 DEMYAGNAUXODHX-WJQUJXPWSA-N 406.434 4.004 0 1 HIAF C[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc(Cl)cn1 587655472 IRHFRVVGECQISW-NSHDSACASA-N 414.799 4.093 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(=O)O)[nH]c3ccccc23)N1 587795520 YAHKITLQHDVARM-HUTHGQBESA-N 403.251 4.391 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587950662 SUJXJSRIFSYDJC-UHFFFAOYSA-N 407.495 4.196 0 1 HIAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2ncccc12 653841666 RZSFKKQXCVHQDR-BQVXCWBNSA-N 415.537 4.493 0 1 HIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@]34CCN3Cc5ccccc5N[C@@H]34)C2)cc1 962648680 XZKPUWSAVJVHPG-FQLPYIGMSA-N 422.576 4.286 0 1 HIAF C[C@@H]1CN(Cc2ccccn2)CC[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962696690 GRMLXFSMLNOLCS-DRMXPCRNSA-N 411.590 4.322 0 1 HIAF O=Cc1ccc([C@H](C2CCCCC2)[C@@H]2C[C@H]([C@@H]3CC[C@@H]4CCC[C@@H]4N3)[C@]3(O)C[N@@]23)cc1 2356769209 YMSJVQLHYWQYGP-DWQWJNIISA-N 422.613 4.476 0 1 HIAF Cc1cccc(NC(=O)c2[nH]cnc2C(=O)Nc2cc(Br)ccc2F)c1 61922198 AJZDQZYCMQDUSG-UHFFFAOYSA-N 417.238 4.124 0 3 HIAF Cc1ccc(N2CCN(C(=O)c3[nH]c(C(F)(F)F)nc3-c3ccccc3)CC2)cc1 73402835 IKAFLOPVJMBYSS-UHFFFAOYSA-N 414.431 4.366 0 3 HIAF Cc1cccc(SC[C@H](O)CC[C@H]2[C@H](O)C[C@H](O)[C@@H]2CCCCCCC(=O)O)c1 13805718 JQFLCIIQNZIBOE-OHLDOZIISA-N 424.603 4.011 0 1 HIAF C[C@H](C(=O)O)n1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2 28344089 ORGXYKVKSGNXTR-CYBMUJFWSA-N 416.474 4.106 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)O)n2ccnn2)cc1 34231959 XKEQYIWVQUGPSH-QFIPXVFZSA-N 416.481 4.285 0 1 HIAF O=C1CS[C@H](c2c(Br)cccc2Br)N1c1nccs1 40835342 ADCGAGIPKREWPF-LLVKDONJSA-N 420.151 4.447 0 1 HIAF Cc1ccccc1[C@@H]1CCc2c(C(=O)NC[C@H]3CCCO3)cc3c(nc(C)n3C)c2O1 49088958 FBEZGWNICNPZQX-VGSWGCGISA-N 419.525 4.165 0 1 HIAF CN1CCCC[C@H]1COc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1 66260202 KTNRAOBLSVMKID-QFIPXVFZSA-N 404.510 4.280 0 1 HIAF CCCn1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@@]34CCCN24)c(C)n1 82056110 OUHMROWDJQRWJY-AVCGJXAMSA-N 412.965 4.193 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc(F)cc1 82140881 SHUWISQYHVQCAA-AWEZNQCLSA-N 422.460 4.152 0 1 HIAF C=CC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccccc4)nc32)c1 84757703 JRIQEYXFGMOIRI-UHFFFAOYSA-N 400.442 4.048 0 1 HIAF COc1ccc(Oc2c(Cl)cnn(-c3cccc(Br)c3)c2=O)cc1 95557912 GRPVTJDDAPLORN-UHFFFAOYSA-N 407.651 4.449 0 1 HIAF CS(=O)(=O)[C@H]1CC[C@](CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1 101536311 HVDQPJAQFXWYEL-GLRZTSSQSA-N 418.386 4.497 0 1 HIAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3C[C@@](C)(C(F)F)Oc4ccccc43)cccc21 144310424 FNBJUBSOLHLDBT-VFNWGFHPSA-N 416.428 4.015 0 1 HIAF CN1CCC[C@H]1CNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146447796 KCBBUCIUHGINFU-FQEVSTJZSA-N 421.614 4.259 0 1 HIAF COC(=O)c1cc(Br)cnc1N1CCC(N[C@H](C)C2CCCCC2)CC1 169341184 WISMZBLXRNLYNT-CQSZACIVSA-N 424.383 4.158 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4ccncc4)n3)c(Cl)cn2)CC1 169703632 BTLKYRQBSPKBGI-CALCHBBNSA-N 408.937 4.486 0 1 HIAF COc1ccc(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1 206842444 CGVVBGLBDXBCSH-YWEYNIOJSA-N 420.340 4.406 0 1 HIAF Cc1cc(Br)cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149165 MFGXBINHXFQUFU-LBPRGKRZSA-N 420.257 4.428 0 1 HIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(Br)ccnc3[nH]2)c1 587241354 ZPNKXIFAJVAQKC-UHFFFAOYSA-N 405.252 4.440 0 1 HIAF CCOC(=O)[C@@H](C(C)C)[C@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439916 DULIDMGFNZPFLR-OPJGWUQDSA-N 408.494 4.259 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)c(O)nc1C)CC2=O 587457830 NWIMMAJYJNMVBV-LJQANCHMSA-N 406.276 4.397 0 1 HIAF O=C1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 587552097 NMLARWPGWXQCOR-DENIHFKCSA-N 408.793 4.212 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1cccs1)CC2 587610431 FWGHAIMGIJMUGO-HXUWFJFHSA-N 407.491 4.450 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCN(C)C)N1 587738796 CZWRRRDIQFEPIG-RBZFPXEDSA-N 407.327 4.152 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ncon3)cc2)N1 587790970 DQSKIQFJTAFZQV-JEOXALJRSA-N 418.266 4.174 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587844180 KSASTKRGFQPSQE-OVWNDWIMSA-N 421.335 4.430 0 1 HIAF Cc1ccc(C)c(OCn2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n2)c1 587875255 IKOQKOFRHBBFDT-UHFFFAOYSA-N 404.401 4.333 0 1 HIAF Cc1ccccc1[C@@]1(c2ccc(CN3CCC3)cc2)NCCc2nc3ccccn3c21 962982734 JUGBXECYDGQXIT-HHHXNRCGSA-N 408.549 4.286 0 1 HIAF COc1ccc([C@@]2(c3cccs3)NCCc3cc4cccc(OC)c4nc32)cn1 963041732 YLQNLOIMYZZNTN-QHCPKHFHSA-N 403.507 4.146 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OC[C@H]4CC4(F)F)ccc3C2)cc1 1772620634 YWRZRKINENHNGM-KSFYIVLOSA-N 414.496 4.476 0 1 HIAF COc1ccc(NC(=O)C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)cc1 1350683 VOXASORLEYEXOW-UHFFFAOYSA-N 402.498 4.316 0 3 HIAF Cc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc23)o1 4111853 LTPVYTFQTXJWIL-XZOQPEGZSA-N 413.477 4.296 0 3 HIAF O=C(O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2O[C@H]1c1ccc2c(c1)OCO2 13473352 JJLDJASXHCEZBR-QHCPKHFHSA-N 416.385 4.164 0 1 HIAF O=C(c1ccccc1)c1ccc2ccn(C(=O)[C@@H]3CS[C@H](c4cccnc4)N3)c2c1 13737436 QKVJFJDLRXKYTN-NZQKXSOJSA-N 413.502 4.311 0 1 HIAF COc1cccc2c1O[C@@H](CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)CN2C 13916882 MEZAIHGIIAYINU-GOSISDBHSA-N 407.489 4.302 0 1 HIAF Cc1oc(-c2cccs2)nc1CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26579004 NYNHYIDWORNZFH-KRWDZBQOSA-N 414.508 4.227 0 1 HIAF CC[C@@H]1CC[C@@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[nH]c3=O)S[C@@H]2C1 28524131 ATVDVPAZNBSTDN-PVXIVEMSSA-N 402.516 4.231 0 1 HIAF COc1ccc(OC(F)(F)F)cc1CN[C@@H]1CC[C@@H]2CC[C@@]1(c1ccccc1)N2 28568251 GXIFPPFQXPIEKY-UIFIKXQLSA-N 406.448 4.493 0 1 HIAF CCCn1cnc2sc(C(=O)N3CCC(Cc4ccccc4)CC3)c(C)c2c1=O 34145068 XOOYVWMDHLLEGA-UHFFFAOYSA-N 409.555 4.271 0 1 HIAF COc1cc(Nc2ncc(Br)c(Nc3cc(C)on3)n2)cc(OC)c1 38209730 GLJRAUADALCSQZ-UHFFFAOYSA-N 406.240 4.040 0 1 HIAF CCCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 49072197 SIYPUCVGBZTYPW-KNLIIKEYSA-N 409.570 4.439 0 1 HIAF O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2F)C1 95565184 DNCDCZIKKHTSLG-UHFFFAOYSA-N 409.223 4.186 0 1 HIAF CC(C)(O)[C@H]1CCC[C@H](NC(=O)C2CCN(c3nc4cc(Cl)ccc4o3)CC2)C1 95583318 NKBHDPKFEWOGMY-RDJZCZTQSA-N 419.953 4.144 0 1 HIAF COc1ccccc1CCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 96939951 RCWUUPZJNLNUAO-LJQANCHMSA-N 404.510 4.292 0 1 HIAF CC(=O)N1C[C@@H]2C[C@@H]1CN2Cc1cc2cc(Oc3nc4ncccc4s3)ccc2o1 101656307 OEYRSZKDMZCBAE-JKSUJKDBSA-N 420.494 4.035 0 1 HIAF c1cnc2c(c1)c1cnc(Nc3ccc(N4CCNCC4)cc3)nc1n2C1CCCC1 117686915 RHOCTZQICRQPCV-UHFFFAOYSA-N 413.529 4.248 0 1 HIAF Cc1cc(-c2cnn(C(C)(C)C(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144895918 VGDWMPFWYNRXKC-OAQYLSRUSA-N 416.399 4.457 0 1 HIAF O=C1O[C@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCCC1 205638306 SLLRBAPSNJOVOL-XMMPIXPASA-N 419.569 4.157 0 1 HIAF O=S(=O)(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C1CCCC1 586924047 FVGVRDDXXPPZGX-UHFFFAOYSA-N 411.243 4.202 0 1 HIAF Cc1nccc2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc12 586963491 KLPWAJHFSJAKLM-UHFFFAOYSA-N 412.906 4.051 0 1 HIAF Cc1cc(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966669 IWTFXMQCJGYZOO-UHFFFAOYSA-N 402.277 4.371 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)c3ccccc3Cl)nc2c1 587058651 HULYNDIGTGUIAO-HNNXBMFYSA-N 409.667 4.237 0 1 HIAF N[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(F)cc1F 587151718 VBBPJUJCAIUXOX-ZDUSSCGKSA-N 417.051 4.414 0 1 HIAF CC[C@H](c1nc2cc(Cl)cc(F)c2[nH]1)n1cc(I)c(C)n1 587186418 WACHTYMJAJPCMU-GFCCVEGCSA-N 418.641 4.464 0 1 HIAF O=C(c1ccc(C(F)(F)F)c(F)c1)c1c(CO)oc2cc(Br)cnc12 587277077 YTCASNASCWMMRM-UHFFFAOYSA-N 418.140 4.472 0 1 HIAF COC(=O)C[C@H](C(=O)OC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362628 KZAWCDZFJDLNFY-SFHVURJKSA-N 419.433 4.476 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCN4CCC[C@@H](C)C4)cc1)[C@@H](C2)C3=O 587440468 ZXNWEVPFHVINRV-RQYMNKHTSA-N 407.510 4.295 0 1 HIAF O=C1C[C@@]2(CS(=O)(=O)c3cc(C(F)(F)F)ccc32)Oc2c1ccc1c2CCCC1 587505805 IUAOWCYMBXIVDG-FQEVSTJZSA-N 422.424 4.232 0 1 HIAF Cn1nccc1C(=O)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517270 KECFPRCTNSNHET-JOCHJYFZSA-N 402.450 4.225 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595045 MKOMWLHWXIXMSO-IUZBSBKLSA-N 420.417 4.035 0 1 HIAF COC(=O)[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587597367 YVYHCFPHUNGCRU-YCEDGAFSSA-N 416.429 4.300 0 1 HIAF Cc1nn(C)c(C)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587705436 MPCMICFKGXIXSR-BCTVWOGZSA-N 420.248 4.279 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC(=O)N(C)C)N1 587743385 WMUNBOMPVGWVMS-VOJFVSQTSA-N 407.283 4.272 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccccc3c2O)N1 587779408 SCJDSUVTWAHDKJ-FVINQWEUSA-N 417.278 4.345 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cscn3)CC2)N1 587853012 KHCQQBIKVJODNU-GFCCVEGCSA-N 410.356 4.070 0 1 HIAF CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)NCCc3nc4ccccn4c32)C1 962984521 MWFATYAXQLXRDJ-RNHFSVANSA-N 401.510 4.171 0 1 HIAF Cc1cccc2c1[C@H](c1cc(C3CC3)[nH]n1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963903738 FTNZVIMVVHXMLI-IERDGZPVSA-N 411.502 4.321 0 1 HIAF Cc1ccc(N2N=C(c3ccccc3)C[C@H]2Cn2cnc3c(Cl)ncnc32)cc1 1857765159 OTSXCGZWQGDGSQ-SFHVURJKSA-N 402.889 4.471 0 1 HIAF Cc1c([C@H](C)[C@H](C)O)cc(O)c([C@@H]2O[C@@H](C)[C@@H](C)c3c(C)c(O)cc(O)c32)c1O 2356663279 ZYNVVEVIXKFNEJ-BJJRFKEISA-N 402.487 4.222 0 1 HIAF Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1cc3ccccc3oc1=O)CC(=O)N2 2456502 WSQAPGODWPUDMV-DEOSSOPVSA-N 424.456 4.285 0 3 HIAF COc1cc(Nc2cc3c(cn2)nc(Cc2ccccc2)n3C)cc(OC)c1OC 82084584 HCSHZHHXIWGKBM-UHFFFAOYSA-N 404.470 4.329 0 3 HIAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4050111 NSHPGHUVZPZKIL-QENXHYHDSA-N 414.505 4.351 0 1 HIAF O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 4054916 JBCKGNAWJNZXKM-FYYLOGMGSA-N 420.896 4.207 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215859 QZJCVURTHVIUMR-BVSLBCMMSA-N 414.571 4.482 0 1 HIAF O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)Nc1cc(F)ccc1F 8611686 AEIJMLLMDXAHMT-UHFFFAOYSA-N 407.420 4.489 0 1 HIAF Cc1ccc2c(OCCN3CCN(Cc4ccc5[nH]ccc5c4)CC3)cccc2n1 22933658 JXHMDZXULHHUPQ-UHFFFAOYSA-N 400.526 4.221 0 1 HIAF COc1ccc2c(c1)c(CCP(=O)(O)O)c(C)n2C(=O)c1ccc(Cl)cc1 28862908 PDGLZDBSRZCYAP-UHFFFAOYSA-N 407.790 4.020 0 1 HIAF CS(=O)(=O)c1ccc(-c2nc(NCc3cccs3)cc(C(F)(F)F)n2)cc1 29132577 NHWBUIULKLBZEC-UHFFFAOYSA-N 413.446 4.240 0 1 HIAF COc1cc2ncnc([C@H]3CC[C@H](Oc4cnc5ccccc5n4)C3)c2cc1OC 72181766 FIGRQWQPUOIWBU-GJZGRUSLSA-N 402.454 4.305 0 1 HIAF CCN(CC)Cc1ccc2[nH]c(-c3n[nH]cc3Nc3cc(Cl)nc(C)n3)nc2c1 96271628 XXMKURLWLNMIKN-UHFFFAOYSA-N 410.913 4.290 0 1 HIAF CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@@]13CCN(C)[C@@H]2C5 100929724 SHXTYPBRXDOEOV-JFWNMISASA-N 416.521 4.011 0 1 HIAF Cc1c(Cc2ccc(=O)n(Cc3cccc(F)c3)c2)c2cc(F)ccc2n1CC(=O)O 117015839 WAAJITQYAZFPOC-UHFFFAOYSA-N 422.431 4.113 0 1 HIAF O=C(CCCOc1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167358074 MUIMWSIJBUULAE-UHFFFAOYSA-N 417.509 4.037 0 1 HIAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCCCN(C)C)cc3)oc2c1 168890066 MNQLATJTVPNVQW-INIZCTEOSA-N 420.513 4.076 0 1 HIAF O=C(NN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O)c1ccccc1 169297378 SFBZTOORZNQQMW-YCAMKHIRSA-N 422.484 4.070 0 1 HIAF O=C(Cn1ccc(Nc2ccccc2)cc1=O)Nc1ccccc1C(=O)c1ccccc1 169309839 BDQFWSFAEGBMON-UHFFFAOYSA-N 423.472 4.462 0 1 HIAF Cc1ccc(-n2c(O)c3n(-c4ccccc4)[nH]c(C(=O)c4ccccc4)c-3c2=O)cc1 169688675 GJHJSQLCFWKSJZ-UHFFFAOYSA-N 409.445 4.306 0 1 HIAF CCN(Cc1cc(C)ccc1-n1cc(CC(=O)O)c2ccc(C)nc21)C(=O)C1CC1 205694720 GSBHRDKZOLYTPE-UHFFFAOYSA-N 405.498 4.028 0 1 HIAF CCNCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)cc1 299820901 JDCMDHSOKOUKCY-UHFFFAOYSA-N 423.460 4.071 0 1 HIAF COc1cc(OC)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 586966391 MARKAVXJXBYSOT-UHFFFAOYSA-N 421.526 4.390 0 1 HIAF CCOc1cc(/C=C/c2nc3cnc(Cl)[nH]c-3n2)cc(Br)c1OC 586978472 UEEAINUIQIVWMB-SNAWJCMRSA-N 409.671 4.298 0 1 HIAF COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587024507 AXPNSDTZNGPQCC-XPGWFJOJSA-N 423.538 4.486 0 1 HIAF COC(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081879 XLMNCTGYCULARJ-UHFFFAOYSA-N 403.829 4.380 0 1 HIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c(C2CC2)n1 587230387 UFJLJRAPICLGKQ-UHFFFAOYSA-N 408.458 4.225 0 1 HIAF COC(=O)[C@@H]1c2ccccc2C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348219 GTEUMXOJHRFCDI-SLSDLSHTSA-N 418.420 4.142 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCc3cc4c(cc32)OCO4)[C@@H]1c1ccc(F)cc1 587361208 YCZHQZZGLQBCQV-VWNXMTODSA-N 404.393 4.461 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(S)nc3ccccc13)(c1nccn1C)O2 587408493 CBKJHSIJYXITOW-QHCPKHFHSA-N 416.506 4.057 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586485 IMBWOGSDUYGHQC-NNCRSITRSA-N 423.465 4.122 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)nc2)N1 587685088 SCPILBYIVGVLPQ-ANRSDYALSA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3cccc(Cl)c3)n2)N1 587702300 PAVCTNKRJZTEIW-YPMLDQLKSA-N 421.701 4.446 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3nncn3C)o2)N1 587845311 QHZIOANUMKXXTA-JDNHERCYSA-N 423.311 4.085 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3sc(N)nc23)N1 587853558 AFHOCRJJDYOMGM-NIVTXAMTSA-N 406.324 4.578 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(Cl)cc2C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963631490 DNCSBYBCFJINMQ-FPTDNZKUSA-N 403.906 4.007 0 1 HIAF O=C(/C(=C/C=C/c1ccccc1)c1ccc(F)cc1)N1CCN(c2ncccn2)CC1 1857643649 MZOHJDLRBFWSCH-KOTYPSLTSA-N 414.484 4.061 0 1 HIAF O=C(Cc1ccc(C2CC(F)(F)C2)cc1)N=c1ccn(Cc2ccc(F)c(F)c2)[nH]1 1857647241 YMZQWRKBOMOMLK-UHFFFAOYSA-N 417.406 4.325 0 1 HIAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 2356320958 BCQHIWWGPXPPHZ-VWPQPMDRSA-N 400.538 4.213 0 1 HIAF O=C(NC[C@@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1)Nc1ccc(F)cc1 2356501412 ZGWMFESQDDWEPQ-QGZVFWFLSA-N 400.841 4.063 0 1 HIAF Cn1nc(C(C)(C)C)cc1NC(=O)[C@]1(C)CCN1C(=O)C1(c2ccccc2)CCCC1 61904605 IQXVRDZWHOYUSJ-DEOSSOPVSA-N 422.573 4.159 0 3 HIAF COC(=O)C1=C(C)N(C)C(NCc2ccccc2)=N[C@H]1c1ccccc1C(F)(F)F 199432193 BMBMMSOAZNICAV-IBGZPJMESA-N 417.431 4.285 0 3 HIAF C[C@@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4045066 KRAMBMDTHQGLIN-XFEVJDRUSA-N 421.472 4.454 0 1 HIAF Cc1cccc(-c2nc(CSCC(=O)NCCN3CCCCCC3)c(C)o2)c1 5057666 NMPPHRONOGIHNC-UHFFFAOYSA-N 401.576 4.184 0 1 HIAF O=C(c1ccc(Br)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 13832041 VRJCMPOFDHVQQI-UHFFFAOYSA-N 413.315 4.033 0 1 HIAF CC[C@H](C)c1cc(=O)oc2c(C(=O)C[C@@H](C)CO)c(O)c(CC=C(C)C)c(O)c12 14586115 ZLUSGBMZNWJLHJ-KGLIPLIRSA-N 402.487 4.428 0 1 HIAF biogenic CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc2c1OC(C)(C)[C@@H](O)C2 14883685 MYPYOQCSDUEJNS-NRFANRHFSA-N 422.477 4.454 0 1 HIAF biogenic COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2C[C@@H]1c1ccccc1 26815641 YNZFNGNFBKOQRH-PXDATVDWSA-N 419.521 4.460 0 1 HIAF CC1CCN(c2ccc(Cl)cc2C(=O)NCCc2ccc(C(=O)O)cc2)CC1 27561847 RCYDLGFRVFYINU-UHFFFAOYSA-N 400.906 4.247 0 1 HIAF O=C(O)c1cc2cc(NS(=O)(=O)c3ccccc3)ccc2n1Cc1ccccc1 28462827 KMKUXEZMQYCKLZ-UHFFFAOYSA-N 406.463 4.189 0 1 HIAF CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 40401470 LNCMFMCGLMCQRP-UHFFFAOYSA-N 422.428 4.445 0 1 HIAF COc1ccc(Cn2c(N3CCC(n4cc(C)cn4)CC3)nc3ccccc32)cc1 43023076 PUYPQZLPNDWKQC-UHFFFAOYSA-N 401.514 4.440 0 1 HIAF O=C(Nc1cc(-c2n[nH]c(=O)n2-c2ccc3ccccc3c2)ccn1)c1ccccc1 66058788 WDMFJZXLYDZRPT-UHFFFAOYSA-N 407.433 4.028 0 1 HIAF CC(C)CC(=O)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72102238 FBFBOXFZFCJVQX-NRFANRHFSA-N 420.479 4.212 0 1 HIAF Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)co2)cc1 82069801 UEZQMELNOBEZCE-UHFFFAOYSA-N 403.482 4.206 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 82192855 AKFJNRGYGYALQC-XKRYAXTKSA-N 424.516 4.155 0 1 HIAF NC(=O)O[C@@H](CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 95576808 BCWLVXCXXSHWSK-IBGZPJMESA-N 407.436 4.054 0 1 HIAF CCOc1ccc(-n2c(S[C@H](C)C(=O)OC)nc3c4ccccc4nc-3c2O)cc1 100705738 MKICPUOGMYTNBB-CYBMUJFWSA-N 423.494 4.283 0 1 HIAF COc1cccc(N(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)c1 116964267 KZOQIJZKMWRRED-UHFFFAOYSA-N 401.466 4.453 0 1 HIAF NCC[C@H]1CNC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)c(-c3ccsc3)n21 143149416 UPTADSCUUNQNDI-AWEZNQCLSA-N 421.444 4.416 0 1 HIAF O=C(c1cccc2[nH]ncc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 149552894 AFBBJXGWDCXMJK-IBGZPJMESA-N 408.408 4.040 0 1 HIAF Cn1c(=O)c2ccc(-c3ccc4nccnc4c3)cc2n2nc(-c3ccccc3)cc12 169350997 ZJPYTFKKPGMIFQ-UHFFFAOYSA-N 403.445 4.463 0 1 HIAF O=C(Nc1cnccc1OC1CCOCC1)c1csc(-c2c(F)cccc2F)n1 205522770 LRPIEIXQEJCTBD-UHFFFAOYSA-N 417.437 4.293 0 1 HIAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13C[C@@H](CC[C@@H]21)[C@](C)(O)C3 238772147 VNDROSDKNARHKI-GONVZRJHSA-N 406.563 4.255 0 1 HIAF COc1cc(-c2cc(/C=C3\C(=O)Nc4ccc(Cl)cc43)[nH]n2)cc(OC)c1OC 299857133 CPNWKUCQXYMQCY-DHDCSXOGSA-N 411.845 4.249 0 1 HIAF O=C1CCc2cc3nc(COc4ccc(Cl)cc4Br)[nH]c3cc2N1 586976860 QISIJKSCIWVQRM-UHFFFAOYSA-N 406.667 4.443 0 1 HIAF COC(=O)COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586989693 PJQBIFMIWBJRCE-UHFFFAOYSA-N 411.413 4.371 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccnc(Br)c2[nH]1 587042471 KSPYNCIBYWOBGM-NSHDSACASA-N 409.696 4.029 0 1 HIAF Cc1c(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076594 XHJQSCIRLUZNJR-UHFFFAOYSA-N 406.921 4.129 0 1 HIAF FC(F)(F)c1nn(CCc2nc3cnc4ccccc4c3[nH]2)cc1Br 587118940 SBDVPXRDMGIYAW-UHFFFAOYSA-N 410.197 4.332 0 1 HIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587198402 ITEAMNFRJREYJC-UHFFFAOYSA-N 414.465 4.250 0 1 HIAF Cc1noc(-c2ccccc2)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587275471 BQAXNZXQIDNACU-UHFFFAOYSA-N 413.227 4.277 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Cn2cncn2)[C@H]1c1ccc(F)cc1 587345391 ZKNSRZWMALYHJR-HNKPZJSLSA-N 407.445 4.111 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccnc4)c(Br)c1)[C@@H](C2)C3=O 587414949 ZEVLQRJVJYMJKI-XOBRGWDASA-N 411.255 4.132 0 1 HIAF O=C(COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)NCC1CC1 587508804 BXKIBJXFEAKULT-HSZRJFAPSA-N 405.494 4.177 0 1 HIAF CC(C)N1CCc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2C1 587620322 XZCDLAIKDYBLJV-DENIHFKCSA-N 422.506 4.318 0 1 HIAF Cc1noc2nc(-c3cccs3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 587653941 ONOQNRLQKYGWLW-UHFFFAOYSA-N 422.853 4.312 0 1 HIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc(N2CCCCC2)n1 587764587 GFLMUIXQIUZWRV-CWTRNNRKSA-N 419.342 4.301 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587772845 XJFRRMWSDMSHKW-UBHSHLNASA-N 411.315 4.101 0 1 HIAF C[C@H](O)[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587801413 GAZJXRVPMXCXKO-JGRMJRGVSA-N 403.295 4.228 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587802309 KZEAGEYMYJIZGE-GIGQVBGESA-N 417.278 4.480 0 1 HIAF COC(=O)[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804746 SDHSQAHJUFKRKT-PRWKNARSSA-N 417.278 4.020 0 1 HIAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(I)cnc2[nH]1 587934223 FFVLXJNIEJPJCL-UHFFFAOYSA-N 417.250 4.143 0 1 HIAF CN(C(=O)[C@H]1CCCN1Cc1ccccc1)[C@@H](CN1CCCCC1)c1ccccc1 621431394 AZCCDASEKDDDEB-RPBOFIJWSA-N 405.586 4.337 0 1 HIAF COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc(Cl)c1OC(C)=O 962638315 PMABKZOKROUGTQ-FKIZINRSSA-N 419.905 4.257 0 1 HIAF CCOC(=O)c1ccc([C@@]2(c3cccc(OC)c3)NCCc3ccc(O)cc32)cc1 963340159 FQCLMBBEZJYZRC-VWLOTQADSA-N 403.478 4.015 0 1 HIAF COc1cccc([C@@H]2Oc3ccccc3[C@@]3(NCCc4cc(Cl)ccc43)C2=O)c1 963391619 VRKPAFWYOJVIOW-LADGPHEKSA-N 405.881 4.441 0 1 HIAF O=C(O)c1ccc(CN(CC2CC2)C(=O)c2ncc(Oc3ccccc3F)cn2)cc1 1772588459 TXROCRKOYMGIGD-UHFFFAOYSA-N 421.428 4.159 0 1 HIAF Cc1cccc(Nc2[nH]c(=N[C@@H]3CCCC[C@@H]3N)c(-c3ccccc3)cc2C(N)=O)c1 1857578874 KEKSOXFRLZRFAF-FCHUYYIVSA-N 415.541 4.003 0 1 HIAF N[C@H]1CCC[C@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc(C(F)(F)F)c4)c3c2)C1 1857636403 OUBOVCLEIUTKRN-JSGCOSHPSA-N 417.435 4.203 0 1 HIAF Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc2ccc(NC(=O)CCC(=O)N3CCCC3)cc12 4881807 NUUPANDCLSUIAG-QZTJIDSGSA-N 422.573 4.367 0 3 HIAF O=C(CC[C@@H]1CCCN(Cc2cccc3c2OCO3)C1)NCc1ccc(F)c(F)c1 13596347 RVLZLEROBRPVDG-INIZCTEOSA-N 416.468 4.002 0 3 HIAF Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)C[C@H]12 205216695 YHZGTYAZCNIXJK-XZOQPEGZSA-N 418.518 4.086 0 3 HIAF O=C(Nc1ccc(Cl)cn1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2456082 VCFFNDUMCUTQCC-LEWJYISDSA-N 403.869 4.211 0 1 HIAF Cc1c(C(=O)NC2CCCCC2)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 2459737 SOSAQNARFDBBJZ-UHFFFAOYSA-N 418.559 4.224 0 1 HIAF CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2F)CC1 13441110 AEXABJFYMNKEOB-JTQIOGRKSA-N 409.509 4.075 0 1 HIAF CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1 13472316 NWAXVCISHHAARQ-UHFFFAOYSA-N 422.836 4.051 0 1 HIAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C 13737423 XSYGBVSQKPLETJ-MHTWAQMVSA-N 401.453 4.095 0 1 HIAF Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCNc2ccc(Cl)cc2)c1 14971469 JAFPZYCIYCKDRH-FQEVSTJZSA-N 401.938 4.021 0 1 HIAF c1ccc(CCCN2CCN(CCN(Cc3ccccc3)c3ccccn3)CC2)cc1 22925644 WLBSIWPEWGDCNF-UHFFFAOYSA-N 414.597 4.339 0 1 HIAF CCCc1cc(=O)oc2c(C(=O)[C@H](C)C(C)(C)O)c(O)c3c(c12)OC(C)(C)C=C3 25970090 UOYWKDJZABGIBH-LBPRGKRZSA-N 400.471 4.225 0 1 HIAF COc1ccc(-c2nc(S(=O)(=O)C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1 28219269 VQSDURHEQILWSF-UHFFFAOYSA-N 412.389 4.054 0 1 HIAF Fc1cc(F)cc(Oc2ncccc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)c1 28564138 VIJZJUBIKJTKFV-UHFFFAOYSA-N 409.352 4.410 0 1 HIAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@@H](C)C(=O)Nc1nccs1)C2 28645055 ZFUJXRWIEDOTHM-WBVHZDCISA-N 401.576 4.080 0 1 HIAF biogenic Cc1ccc(C(C)(C)C)cc1Nc1nc(NCCc2cnn(C)c2)nc2ncn(C)c12 49067852 GOKXMIGSJFUKKJ-UHFFFAOYSA-N 418.549 4.101 0 1 HIAF CCCCN1C[C@@H](CSC)[C@@H](CC(=O)Nc2ccc(Br)cc2)C1=O 72136654 XRQZFAYRQQGPFB-XJKSGUPXSA-N 413.381 4.015 0 1 HIAF COCCn1c(-c2ccc(OC)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179083 QFVTVUFLAPFKDS-UHFFFAOYSA-N 403.486 4.069 0 1 HIAF CSCC[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NCC(F)(F)F 82195378 XMUNRVBWZOZYSG-LBPRGKRZSA-N 407.458 4.161 0 1 HIAF CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(N)cc1 103245580 ANYCUJUVUYMYEV-UHFFFAOYSA-N 404.532 4.349 0 1 HIAF COC(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 198839113 KEQYTSCUNYUNLP-LJQANCHMSA-N 418.453 4.406 0 1 HIAF Cc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Br 587006204 JUHQSWUFHHRJBG-UHFFFAOYSA-N 407.069 4.106 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(Cn3ccc4ccc(Cl)cc43)nc-2[nH]1 587080609 NUTZJMQHJVDBNY-UHFFFAOYSA-N 404.861 4.279 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(C)cc3F)[nH]c2c1 587146179 CJYHVNBHGCTQRZ-UHFFFAOYSA-N 411.458 4.487 0 1 HIAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)c(F)cc2[nH]1 587182010 KQVBHJJJHDMEAC-ZETCQYMHSA-N 404.614 4.074 0 1 HIAF C[C@@]1(c2cccc(OCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345775 GPFILCKGNRQCHV-VWNXMTODSA-N 422.408 4.269 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc4nc(C)sc4c1)[C@@H](C2)C3=O 587451790 KOHWRRQRTMZNTK-OYHNWAKOSA-N 408.479 4.148 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCCOC)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O 587469103 IGVJZQHDSMBOKE-IQMFZBJNSA-N 421.534 4.389 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)CC2=O 587487822 OGIKRBIWTZGFFA-XBCBRRGRSA-N 401.503 4.326 0 1 HIAF Cc1oc2nc(Br)nn2c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499646 TWQGXWJPKOQYMS-LJQANCHMSA-N 416.275 4.153 0 1 HIAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccn1 587583743 XHUZWMXYGXBZRB-URXFXBBRSA-N 413.433 4.158 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583774 UUAMWISPPMSKSU-FDDCHVKYSA-N 411.454 4.124 0 1 HIAF COC(=O)c1oc2c(c1C)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587618954 VPYUQUBWPBTLPV-DVECYGJZSA-N 420.417 4.274 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2ccc(N)cc2)N1 587747841 SGDAWAAQZLHJBE-ZSEKCTLFSA-N 412.306 4.392 0 1 HIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1-n1cncn1 587762053 WXEDGHXJRFHHCI-BLVKFPJESA-N 401.283 4.101 0 1 HIAF COCCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587789930 DGSOFOHIAMYXBJ-XCLFUZPHSA-N 408.311 4.411 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790923 KGZJTZSSUGTSOX-AYLIAGHASA-N 409.299 4.283 0 1 HIAF CCOC(=O)/C=C/[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587792322 BPNZHAKYRNRUAK-MQADGVMYSA-N 418.306 4.485 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807574 LVEKXPFZHMNSLR-RBZFPXEDSA-N 406.295 4.124 0 1 HIAF O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC[C@@H]1c1ccccn1 621477814 NVIPJSRNHGOFDW-LJQANCHMSA-N 418.463 4.466 0 1 HIAF O=CN1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc2ccccc2nc1N1CCOCC1 653726606 PDAJQXVVQRTSGR-QFIPXVFZSA-N 420.900 4.032 0 1 HIAF CC(C)(Oc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1)C(=O)O 653783790 TUMQJOJSMBTOJV-UHFFFAOYSA-N 400.434 4.295 0 1 HIAF Cc1ccc([C@@]2(c3cc(C)ccc3C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)nc1 963222028 KEJSGYGLUOZGPQ-IGKIAQTJSA-N 423.516 4.446 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCCCC(=O)O)c1cccc(F)c1F 963635147 LRMSJMUFQLPYEH-FATZIPQQSA-N 419.468 4.405 0 1 HIAF COc1cc2c(c(OC)c1OC)[C@H](c1cc(Br)ccc1F)[C@@H](C)C(=O)N2 1857638983 SJBJLFRJNAQGPK-PSLIRLAXSA-N 424.266 4.334 0 1 HIAF c1ccc(C2=NN(c3ccccc3)[C@H](Cn3cnc4c(N5CCCC5)ncnc43)C2)cc1 1857649226 OVGNZMQIEKUFHZ-NRFANRHFSA-N 423.524 4.110 0 1 HIAF COC(=O)C=C(OC)[C@H](C)[C@@H](C=Cc1csc([C@@H]2CSC(C(C)C)=N2)n1)OC 2356621669 MKHXEKLNLZKVLK-VNQPRFMTSA-N 424.588 4.353 0 1 HIAF CCn1cc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)c(C)n1 12584668 BSBKJMQIYXUJSP-GOSISDBHSA-N 409.559 4.186 0 3 HIAF CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 61930510 XEKUMIDAHMMSES-LUXSDTRRSA-N 402.623 4.168 0 3 HIAF CSCC[C@H](C(=O)Nc1c(C)cccc1C)N1CCN(c2ccc(F)cc2)CC1 72104205 NVBCILNRMAEHKY-OAQYLSRUSA-N 415.578 4.325 0 3 HIAF COC(=O)c1cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2oc1=O 3819444 PIVRJBXWRRRQRB-UHFFFAOYSA-N 405.406 4.165 0 1 HIAF COc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3ccccc3n3cccc23)C1 6782629 UPJNZCWYHWTJHQ-IBGZPJMESA-N 414.509 4.029 0 1 HIAF CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12 13607556 JEYKBVBGFCMXAB-INIZCTEOSA-N 403.935 4.259 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2cc(C)cc(C)c2)[C@@H]1Oc1ccc(C(=O)O)cc1 27207955 ISRVJLSKSMJVMC-JOCHJYFZSA-N 424.497 4.265 0 1 HIAF CCN1C(=O)/C(=C/c2ccc(-c3cc(=O)c4ccccc4o3)cc2)N(CC)C1=S 39180926 KMMNTIWFTJFJBN-AQTBWJFISA-N 404.491 4.270 0 1 HIAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(C)cc(C)c3)cc21 72116515 HADLZELQUKIKEI-LJQANCHMSA-N 409.482 4.133 0 1 HIAF COCCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc(-c3ccccc3)cc2)n1 82153629 UNIOACZORBHAAM-UHFFFAOYSA-N 416.525 4.495 0 1 HIAF CC(C)Nc1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1 103247700 ZNTCCLWRVCGLRP-UHFFFAOYSA-N 417.517 4.080 0 1 HIAF CC1(C)c2cc(OCCN3CCC[C@@H](O)C3)ccc2C(=O)c2c1oc1ccccc21 114802302 FTARPNCDPIQGEY-MRXNPFEDSA-N 405.494 4.139 0 1 HIAF O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 147903580 DGVPWHORJWLKNC-PMACEKPBSA-N 404.901 4.005 0 1 HIAF CC1(C)C[C@@H]1C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166400838 MWNKAUDDAYGUNT-JOCHJYFZSA-N 416.525 4.291 0 1 HIAF COc1ccc(-c2ccc3cc(C(=O)N4CCC[C@@H](CO)C4)ccc3c2)c(OC)c1 169305327 KABBSAUCOFENQT-QGZVFWFLSA-N 405.494 4.369 0 1 HIAF COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)NC2CCCCC2)cc1OC 299832265 FPYXIXPTOISSGM-SQJMNOBHSA-N 409.526 4.489 0 1 HIAF Cc1nn(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C)c1Br 586978938 LYSDMPGRUMWGJI-UHFFFAOYSA-N 409.287 4.418 0 1 HIAF CCOC(=O)c1cnn(-c2ccc(-c3nc4c(O)cccc4[nH]3)cc2)c1C(F)(F)F 587115326 TZHKMHBVQUGVSF-UHFFFAOYSA-N 416.359 4.317 0 1 HIAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587165272 ODJSXEMZXBABGI-UHFFFAOYSA-N 401.488 4.348 0 1 HIAF Fc1cc2[nH]c(-c3cncc(I)c3)nc2cc1Br 587185131 QLGOLHFHDGBBTQ-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF COc1cncc(N)c1-c1nc2cc(Br)c(OCCC(C)C)cc2[nH]1 587253007 XLALKLFGYRGOMQ-UHFFFAOYSA-N 405.296 4.403 0 1 HIAF Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2C 587340129 SDVFQWFVRQEDGS-URXFXBBRSA-N 403.409 4.071 0 1 HIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 587350150 WUOAYHAEUKGWGC-XUZZJYLKSA-N 417.392 4.352 0 1 HIAF COc1cc2c3c(c1)O[C@H](C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587433489 REGBEPMVNXSCMG-MOIQIXESSA-N 401.503 4.285 0 1 HIAF COc1ccc(/C(=C\N(C)C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587571030 KPLQYFPMPBQQTI-GQJANXKOSA-N 417.461 4.334 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576441 HARLLPURGFNWBI-URXFXBBRSA-N 419.433 4.236 0 1 HIAF C[C@H](O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588216 JZKNLEXEOWJVHA-DRPSWDKDSA-N 401.418 4.111 0 1 HIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1cc(C(F)(F)F)ccc1=O 587622965 VRCFCGIPJINAIH-UHFFFAOYSA-N 411.181 4.285 0 1 HIAF COC1=C(Br)[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587681545 LHNQHVXRXOTBPG-ANRSDYALSA-N 405.105 4.364 0 1 HIAF Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccn1 587766725 WSQGKKGSIUGEDE-ODXCJYRJSA-N 415.310 4.275 0 1 HIAF COC(=O)C1C[C@@H]2CCC[C@H](C1)C21N[C@@H](C)Cc2ccc(F)c(Br)c21 587811307 WMNCIAJPSTVPDH-WCLSURKFSA-N 410.327 4.317 0 1 HIAF COc1cccc(CONC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 587862443 ARCFYQHWSCCNAZ-UHFFFAOYSA-N 421.375 4.276 0 1 HIAF COC(=O)c1cccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c1 621476436 XDEVEYLCCXYKBO-UHFFFAOYSA-N 410.223 4.190 0 1 HIAF Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CC(F)(F)C5)cc34)cc2)cn1 653823818 GTJWTPSHGINPNN-UHFFFAOYSA-N 404.420 4.393 0 1 HIAF CC(=O)OCC1=CC[C@@]2(C)[C@@H](C=C1)[C@@H]1CC[C@H](C(C)C)[C@@]1(C(=O)O)C[C@H]2OC(C)=O 653882110 CCNDXGKVNHUKPU-FHROMFLPSA-N 418.530 4.147 0 1 HIAF CCOC(=O)CC[C@]1(c2ccsc2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962634403 UCPQHPHEODQKLN-QRQCRPRQSA-N 403.544 4.229 0 1 HIAF CCCCOc1cc(N2CC[C@@H](Oc3ccc([C@H](C)C(=O)NCC)cc3)C2)ccn1 1772617331 JZHYKYDCQOFCOS-PGRDOPGGSA-N 411.546 4.158 0 1 HIAF O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(c2ccccc2F)CC1 2461361 XXVNNUBMJWWDLM-UHFFFAOYSA-N 408.454 4.109 0 1 HIAF O=C1C[C@H](c2ccccc2)c2c(cc(O)c3c(=O)c(O)c(-c4ccccc4)oc23)O1 13382659 SXMQPTBFMABSHL-OAHLLOKOSA-N 400.386 4.312 0 1 HIAF biogenic CCCC(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@H](C(C)(C)O)C2 13461262 ADRUKWOHXVJUSH-KRWDZBQOSA-N 408.450 4.223 0 1 HIAF biogenic Nc1nc(N)c(-c2ccc(NC(=O)C3CCCC3)cc2)c(COCc2ccccc2)n1 14970705 ULACJMAZFIEDES-UHFFFAOYSA-N 417.513 4.154 0 1 HIAF CN(C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1)C(=O)c1ccncc1 26185467 GTGFDTCZMKRPMT-DEOSSOPVSA-N 413.477 4.014 0 1 HIAF COc1ccc([C@@H]2[C@@H](CC[P@](=O)(O)c3ccccc3)C(=O)N2c2ccccc2)cc1 27863335 LILSRVHDDACRFE-DHIUTWEWSA-N 421.433 4.385 0 1 HIAF COc1c(OCCF)cccc1[C@@H](O)C1CCN(CCc2ccc(F)cc2)CC1 29128986 QCFZUTYIUYQTPW-QFIPXVFZSA-N 405.485 4.171 0 1 HIAF CC(C)N(CC[C@](CCN1CCCCC1)(C(N)=O)c1ccc(F)cc1F)C(C)C 40827864 FBMLHRHNMHDSBE-QHCPKHFHSA-N 409.565 4.073 0 1 HIAF Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12 43202429 ZYZLQFUSJAKKPA-UHFFFAOYSA-N 419.416 4.123 0 1 HIAF C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O 43204691 WJZSCVDXZGQPBK-ZDUSSCGKSA-N 410.823 4.404 0 1 HIAF COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)c(Cl)sc2=O)cc1 45298547 IPQJZFBCNIJHFI-UHFFFAOYSA-N 407.875 4.254 0 1 HIAF COc1cccc(C(=O)[C@H]2C[C@H]2CN2CC=C(c3c[nH]c4ccc(OC)nc34)CC2)c1 45323296 GSNLSTHOWFWZIF-ICSRJNTNSA-N 417.509 4.188 0 1 HIAF O=C(NCc1ccccc1)[C@H](CCO)NCCCC(c1ccccc1)c1ccccc1 96915176 YSYQQVYTALDEBG-SANMLTNESA-N 416.565 4.256 0 1 HIAF COc1ccc2c(oc3ccccc32)c1NC(=O)Cc1nn(C)c(=O)c2ccccc12 96930066 DZZVAHBCXKLREQ-UHFFFAOYSA-N 413.433 4.023 0 1 HIAF Cc1cc(C)cc(-c2nnc(COc3cnn(C(C)(C)C)c(=O)c3Cl)s2)c1 103217196 HAWBDDIVDNUSEU-UHFFFAOYSA-N 404.923 4.366 0 1 HIAF Fc1ccc(CCOc2cncc3nnc(-c4ccc(C(F)(F)F)nc4)n23)cc1F 103303352 GIBSJTKADOSTIA-UHFFFAOYSA-N 421.329 4.105 0 1 HIAF COC(=O)c1nc2n(n1)[C@@H](c1ccc(F)cc1)/C(=C(\O)OC1CCCCC1)C(C)=N2 103938580 IHZWJWZSCJUKHV-PJCCXHTNSA-N 414.437 4.018 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cn1)Nc1ccc([C@@H]2CNCCO2)cc1Cl 149928853 CYKXETAGSMCFGW-AWEZNQCLSA-N 400.788 4.059 0 1 HIAF CCCCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729900 FCMPMUWSGXGOHY-YADHBBJMSA-N 424.497 4.459 0 1 HIAF CCCS(=O)(=O)N1CCC(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CC1 586953370 TZVHQGKGQMHLKU-UHFFFAOYSA-N 407.483 4.094 0 1 HIAF Brc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1 586997163 AYEMIAHVHZMMIA-DAFODLJHSA-N 423.064 4.382 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587016817 CQLWECJOHHZHJA-UHFFFAOYSA-N 404.904 4.195 0 1 HIAF CCN1C(=O)C[C@@H](c2nc3cc(C(=O)O)c(F)cc3[nH]2)[C@@H]1c1ccccc1Cl 587061549 NEFNALXSLZHWNN-XIKOKIGWSA-N 401.825 4.131 0 1 HIAF COC(=O)c1cc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2cc1OC 587226805 TYKYZBXZRYXNNW-KRWDZBQOSA-N 403.479 4.114 0 1 HIAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1ccccc1 587580380 HTWMRDQKJMVVND-RDPSFJRHSA-N 413.433 4.158 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590754 ALMRWAXBOUJPIA-QPPBQGQZSA-N 404.418 4.121 0 1 HIAF CCc1ccc2c(c1)[C@]1(CC(=O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607452 HEYVJXWZAGTWPH-URXFXBBRSA-N 402.402 4.121 0 1 HIAF CN(C)c1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587616231 ZKJUWWWTAIHTGR-BBRMVZONSA-N 402.859 4.271 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccnc(C(F)(F)F)n1 587656052 VFSDRKCOPAJVKB-UHFFFAOYSA-N 404.298 4.140 0 1 HIAF CC1=C[C@@]2(CC(=O)N1Cc1ccco1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587757695 HNJKBHZFYIYKHT-YUNKPMOVSA-N 419.294 4.247 0 1 HIAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)O 587802678 TUAWSCIZNUQVIA-YPMLDQLKSA-N 408.267 4.309 0 1 HIAF COC(=O)c1coc2c1[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587827334 JLYAVIXRDKXZPJ-DGIBIBHMSA-N 408.267 4.082 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-c2cccs2)nn1 587869503 LCXZEMPYOAYDOR-UHFFFAOYSA-N 403.389 4.480 0 1 HIAF CC(C)(CC(=O)O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587956377 ZACZTZHJINTROV-UHFFFAOYSA-N 421.906 4.061 0 1 HIAF Cc1cnc(-c2cnn3c(=O)cc(-c4ccc(Cl)c(OCC(F)(F)F)c4)[nH]c23)o1 653678784 SUHRZZCMJXQMRJ-UHFFFAOYSA-N 424.766 4.248 0 1 HIAF COc1ccc2c(c1)C1(CCN([C@@H](C(=O)O)c3ccccc3)CC1)N(C(C)C)CC2 962044169 MCAWPTCWAHILDI-HSZRJFAPSA-N 408.542 4.079 0 1 HIAF C[C@]1(c2cccc(-n3cccc3)c2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962625811 CZBCURUDQHBVII-DYESRHJHSA-N 416.399 4.238 0 1 HIAF CCOC(=O)c1ccc([C@]2(c3cccc(OC)c3)NCCc3ccc(O)cc32)cc1 963340158 FQCLMBBEZJYZRC-RUZDIDTESA-N 403.478 4.015 0 1 HIAF CN(Cc1ccccc1)C(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F 1772571355 BSGYPLFBMHWHBV-UHFFFAOYSA-N 420.488 4.031 0 1 HIAF CCc1nc2cc(Cl)ccn2c1C(=O)NCCOc1ccc(Br)cc1 1857549808 KKOULKWRWCKAIT-UHFFFAOYSA-N 422.710 4.121 0 1 HIAF O=C(O)C[C@@H](c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1)c1cnco1 1857768447 LBXKXRVUCOIOKC-IRXDYDNUSA-N 415.829 4.153 0 1 HIAF COc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1OC1CCN(C(C)C)CC1 12703714 HOSJPJROAGJOCT-QFIPXVFZSA-N 408.542 4.364 0 3 HIAF CC(C)c1ccc(C(=O)N2CCOC[C@H]2c2cc(C(=O)Nc3ccccc3)no2)cc1 61897213 TXWMWTADTSGFNT-NRFANRHFSA-N 419.481 4.264 0 3 HIAF CSc1ccc(CN2CC[C@@]2(C)C(=O)NCc2ccccc2Br)cc1 61902988 NYWBHDSFQZOCPR-FQEVSTJZSA-N 419.388 4.452 0 3 HIAF CN1O[C@](C)(CC(=O)Nc2ccc(F)cc2F)N=C1c1cccc(Br)c1 205222086 APPQKVLVMHRDNC-GOSISDBHSA-N 424.245 4.096 0 3 HIAF COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1cccc2ccccc12 13645861 SLMHRTVOIZHRHT-UHFFFAOYSA-N 408.523 4.144 0 1 HIAF CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cccs2)n2c1CCC2 27524274 CDTBTXGNGXJPKT-UHFFFAOYSA-N 419.547 4.432 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1cc(C)c(C(=O)O)c(C)c1 27866853 JSGHWCYYCKAHPU-JOCHJYFZSA-N 424.497 4.265 0 1 HIAF CCN1CCC[C@@H](n2cc(S(=O)(=O)c3ccc(Cl)cc3)c3cccnc32)C1 28862320 ALCXYHPCAIHWAC-MRXNPFEDSA-N 403.935 4.179 0 1 HIAF COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5ccccc5)CC4)C(=O)O3)c2c1 28893530 LLIDEMDMIYDCFB-DEOSSOPVSA-N 417.509 4.401 0 1 HIAF O[C@@H](CNCCc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1cccnc1 28958896 GZIZHOPNLLEEEV-QFIPXVFZSA-N 402.523 4.133 0 1 HIAF O=C(c1ccnc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 146358902 LWHCPVBTBFAYDP-SFHVURJKSA-N 408.408 4.040 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 586961188 QELPWEOHVVCLLA-KKXDTOCCSA-N 416.934 4.306 0 1 HIAF Cc1ccc(-c2nnc(SCc3nc4cc(Br)ncc4[nH]3)n2C)cc1 586964640 AUPNOYZCDJONLX-UHFFFAOYSA-N 415.320 4.117 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3cnc(N)nc3-c3ccccc3Cl)nc12 587060645 LAPXLCHDMUGFBY-UHFFFAOYSA-N 415.682 4.388 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 587413542 ROVPOVAIAMVVCR-RDGATRHJSA-N 415.445 4.149 0 1 HIAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587429590 QAOPRLSQXOGHPI-LROSEOONSA-N 423.509 4.337 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)NCc1ccccc1Cl)CC2=O 587460388 FWZJWJWIHDXJNF-QFIPXVFZSA-N 401.890 4.429 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)nc3n1CCC3)CC2=O 587492067 WKFAIHNBDTZNQL-VWLOTQADSA-N 417.509 4.287 0 1 HIAF Nc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539769 JKQZNLHAGXJAGY-XLIONFOSSA-N 412.239 4.440 0 1 HIAF Cc1cc(=O)oc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)ccc12 587605614 AGHUIBARHRDQPH-GBXCKJPGSA-N 416.385 4.216 0 1 HIAF CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615690 HCBUMWNKRKULLI-KDSXSNECSA-N 418.445 4.437 0 1 HIAF CO[C@H](C)c1ccc([C@]2(CN)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587751357 YBBHAZGAHXMQOY-IZDJOXEWSA-N 407.327 4.032 0 1 HIAF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)OC 587801650 MYAKXFZQDDVVIX-WYRIXSBYSA-N 422.294 4.397 0 1 HIAF Cc1cn(C)c2c1C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 653721788 YGJASOUKNQFBMB-QGZVFWFLSA-N 402.281 4.089 0 1 HIAF CC1=C(c2ccccc2)Oc2cc(O)ccc2[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962892852 HHQYMBYBAKMXKN-NBGIEHNGSA-N 417.436 4.197 0 1 HIAF O=C1Nc2cccc(Cl)c2[C@]12NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962961051 SFCYDAXFQCDVTB-FQEVSTJZSA-N 422.834 4.206 0 1 HIAF Cc1cc(-c2cc[nH]n2)ccc1C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C 1857613478 AYZQVGPXECKJJS-RTBURBONSA-N 405.502 4.055 0 1 HIAF CCCCNC(=S)NC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 1857745863 VOTLXAKSUBNGSV-DXSQJRSRSA-N 416.631 4.244 0 1 HIAF Cc1cc(CNC(=O)[C@]2(C(F)(F)F)C/C(=C\Cc3ccccc3)CCCO2)nn1C 13829110 KJCJXCNOWSFGIN-VTCDDQIKSA-N 421.463 4.015 0 3 HIAF Cc1cc(C)cc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2ccccc2)c1 201441205 SDYAZBMLVSOYSC-UHFFFAOYSA-N 414.571 4.194 0 3 HIAF CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1ccc(C(=O)OC)cc1 1654503 LVUUNKWOWCNGGH-UHFFFAOYSA-N 420.343 4.404 0 1 HIAF COc1ccc2c(C(=O)N[C@H](C(=O)O)c3ccccc3)cc(-c3ccccc3)nc2c1 13762347 LCBBIMOGUBJROK-QHCPKHFHSA-N 412.445 4.466 0 1 HIAF O=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3cccc(Cl)c3)cs2)c1 16940860 SZRNLEOQUBAXMA-UHFFFAOYSA-N 413.930 4.401 0 1 HIAF C/C=C(C)\C=C\[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC/C=C\CCC(=O)OC 27737468 FPKJBUWAADEGDP-BOSQHFADSA-N 404.547 4.062 0 1 HIAF COc1ccc([C@@H]2[C@H]([S@@](=O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 27848251 XWUQQQBMFUKYLG-RLPNJSHFSA-N 405.519 4.143 0 1 HIAF Cc1ccc(N)cc1O[C@@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C 28135469 FWUYYBWBYUCJNY-QHCPKHFHSA-N 422.573 4.351 0 1 HIAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2c(CO)cccc21 28952140 ILKXCAVLGQOGLG-UHFFFAOYSA-N 406.530 4.320 0 1 HIAF CCOc1cccc2[nH]c3c(c12)CCN1C[C@@H](CC)[C@@H](/C(=C\OC)C(=O)OC)C[C@@H]31 29570522 GWVQIRFYLXTSMJ-WJIROMIOSA-N 412.530 4.215 0 1 HIAF COc1cccc2nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)n(C)c(=O)c12 40379237 HVRHVFJBNXLKGN-UHFFFAOYSA-N 419.525 4.005 0 1 HIAF Cc1cccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12 40380365 FZAFEIPWODBIGS-UHFFFAOYSA-N 403.526 4.305 0 1 HIAF CC(C)(CCO)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 113651857 LBBNQAJEJZYWPT-UHFFFAOYSA-N 408.483 4.032 0 1 HIAF Fc1cccc(F)c1-c1ccc2[nH]nc(-c3cncc(N[C@H]4CCCNC4)n3)c2c1 150092669 KBIGMPDPPRLJPK-AWEZNQCLSA-N 406.440 4.129 0 1 HIAF CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1 150122801 VHCWLHRZDCQZHQ-UHFFFAOYSA-N 422.485 4.428 0 1 HIAF Cc1nn(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c(C)c1Br 586978820 JDRYVRKUEMEZJD-UHFFFAOYSA-N 420.055 4.228 0 1 HIAF COC(=O)c1ccc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2n1 586981166 LSZFIGPHYOMYNG-UHFFFAOYSA-N 411.259 4.273 0 1 HIAF Fc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c(F)c1F 587019039 SZGHPSQSEMXIPV-UHFFFAOYSA-N 403.385 4.466 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)c5ccsc5)[nH]c4c3)o2)cc1 587025286 KLEVFVWGAXZTAZ-SFHVURJKSA-N 403.467 4.398 0 1 HIAF Cc1c(-c2nc3c(Br)ncc(F)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030093 XGERZQBWEBHLDF-UHFFFAOYSA-N 420.267 4.009 0 1 HIAF O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(F)c(F)cc2[nH]1)c1ccc(F)cc1 587169401 CNLIMGWITUKZPC-LJQANCHMSA-N 417.412 4.048 0 1 HIAF O=C1CC2(CCN(C(=O)c3cccnc3Cl)CC2)Oc2c1ccc1c2CCCC1 587503135 XBCGEZULBPLXQU-UHFFFAOYSA-N 410.901 4.254 0 1 HIAF CCOC(=O)[C@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598762 VEEZKNHDRBGRAJ-SQJMNOBHSA-N 418.445 4.429 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(F)CN(C(=O)OC(C)(C)C)C2)N1 587723373 XHZODHOBXKWOHP-BONVTDFDSA-N 417.294 4.123 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 587870490 ALQHUFMPFFVTBL-UHFFFAOYSA-N 422.382 4.132 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@]1(/C=C/N(C)C)[C@@H](C)Oc1ccccc1 961319546 JATCHIPMBQSKJN-BIKXMSKLSA-N 424.585 4.328 0 1 HIAF COc1ccc(-n2c(C)c(C)c([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)c2C)cc1 962898970 NJCDZJJZSPCKHK-NZQKXSOJSA-N 408.473 4.239 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OCCOC(C)=O)c(OC)c2)N1 962962412 VLNMPRNRMOLKOE-HXOBKFHXSA-N 408.498 4.132 0 1 HIAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC[C@H]1CO 1772599261 UXSACQGSTLEKBE-HNNXBMFYSA-N 417.387 4.038 0 1 HIAF Nc1c(C(=O)O)cnn1-c1ccc(C[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 1772648461 WXFLZUANVOFOCF-OAQYLSRUSA-N 411.461 4.362 0 1 HIAF Cc1nc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)cc2nc1C 2356627891 ZNUGWCWQMPYCJR-MHOPESGUSA-N 416.569 4.282 0 1 HIAF Cc1ccc2nc(C[C@H]3CN(CCCc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356743324 SSILYJNJNZSLEU-RTWAWAEBSA-N 405.542 4.459 0 1 HIAF Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2cccs2)cc1 4890094 OWRMEWIHLAKIBJ-KRWDZBQOSA-N 414.556 4.211 0 3 HIAF C[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 61923291 AZYFXFAFEPHTTK-HNAYVOBHSA-N 415.331 4.115 0 3 HIAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC 4296344 GSWSEPRDKHHWIK-CTNGQTDRSA-N 416.905 4.365 0 1 HIAF O=C(NCc1ccc2c(c1)OCO2)c1nc(-c2cccc(F)c2)n2c1CCCCC2 6868672 MPPMZALKJXVGST-UHFFFAOYSA-N 407.445 4.074 0 1 HIAF CC(C)C(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26380208 GAOOTKLAXDLBTP-UHFFFAOYSA-N 408.376 4.175 0 1 HIAF CC[C@@H](NC(=O)N1C(=O)[C@](C)(CC)[C@@H]1Oc1ccc(C(=O)O)cc1)c1ccccc1 26501197 KXVVCQBRJHTYLS-JZWVFAODSA-N 410.470 4.209 0 1 HIAF COc1cc2ncnc(N3CCN(Cc4cccc5ccccc45)CC3)c2cc1OC 28824585 LIVJHDPMBURHQZ-UHFFFAOYSA-N 414.509 4.122 0 1 HIAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2CCc3ccccc3C2)n1 82066821 FPJYIYDCSIDGGG-INIZCTEOSA-N 405.502 4.446 0 1 HIAF COc1ccc(C(=O)O)c(NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1 84704424 HUOKHNFCCRNMIH-UHFFFAOYSA-N 408.385 4.037 0 1 HIAF C[C@H]1C/C=C/C[C@H](c2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)c2ccccc2O1 95661789 GDGOWZRPPFKRJA-FQTNFBJSSA-N 410.489 4.261 0 1 HIAF Cc1c(OCCCCN2CCN(C)CC2)ccc2c(=O)cc(-c3ccccc3)oc12 96271264 KZASLSLPFQAZRC-UHFFFAOYSA-N 406.526 4.175 0 1 HIAF COc1ccc2c(c1)nc(-c1ccccc1)c(=O)n2C[C@H]1CCCN2CCCC[C@@H]12 96900891 CHHZDSNLFSHSJT-KNQAVFIVSA-N 403.526 4.337 0 1 HIAF Cc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)cc1Cl 100705248 DPMBGKSDYMMVCL-UHFFFAOYSA-N 412.902 4.471 0 1 HIAF CCOC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 100705812 AKVQOAHIWSQQPU-CYBMUJFWSA-N 423.494 4.283 0 1 HIAF COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)C(C)C)nc12 113653270 RUWFLIHCRYRBBH-UHFFFAOYSA-N 407.499 4.345 0 1 HIAF CCc1ccc(COc2ccc(C3CN(C(=O)c4ccccn4)C3)cc2OC)cc1 143579068 QDCGTTQHEDRTLV-UHFFFAOYSA-N 402.494 4.471 0 1 HIAF CN1CC[C@H](CNCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)C1 144184935 YWCXMWSNUBXLRA-HXUWFJFHSA-N 415.537 4.353 0 1 HIAF CC1=CC(=O)O[C@H]1C/C=C(/C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]1(C)O)[C@@H]23 238783914 YSJDJCWAZGWPOS-URUKXRSESA-N 416.558 4.484 0 1 HIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Br)cc(C)c3[nH]2)c1 586930158 GSVUQVUWPRNLFJ-UHFFFAOYSA-N 422.348 4.331 0 1 HIAF COC(=O)c1cc2nc(C(C)(C)SCC(=O)O)[nH]c2c(F)c1Nc1ccccc1 586959673 OVUMIXLKUZOQIB-UHFFFAOYSA-N 417.462 4.285 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](CSCc3ccccc3)NC(C)=O)nc2c1 586973894 RYAVAEWTKWZWPB-QGZVFWFLSA-N 417.918 4.114 0 1 HIAF COC(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 586999795 BWRZLZUNYFXDBM-GORDUTHDSA-N 415.243 4.054 0 1 HIAF Brc1ccc2c(cnn2CCc2nc3cc4c(cc3[nH]2)OCCCO4)c1 587001554 DTJXGDKULCGSOS-UHFFFAOYSA-N 413.275 4.079 0 1 HIAF O=C(CCc1nc2ccc(C(F)(F)F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587023410 AOFSEHVALGTFRZ-UHFFFAOYSA-N 418.404 4.067 0 1 HIAF Cc1ccc2c3c(cc(-c4cnc5c(C(=O)O)cnn5c4C)nc13)-c1ccccc1C2=O 587098553 ZUUCXRDVZLSICD-UHFFFAOYSA-N 420.428 4.471 0 1 HIAF Fc1ccc2c(c1)C[C@H](c1nc3c(I)cnc(Cl)c3[nH]1)O2 587175599 ZVDISTZTMQSIOL-SNVBAGLBSA-N 415.593 4.031 0 1 HIAF Fc1cc(C(F)(F)F)c2[nH]c(-c3cncc(I)c3)nc2c1 587184048 BOTXNAIKNSWNOF-UHFFFAOYSA-N 407.108 4.387 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587234077 WGAPNKQKDPADTA-CMPLNLGQSA-N 424.295 4.184 0 1 HIAF CCOC(=O)c1cc(Br)c2nc(-c3ccc(NC(=O)OC)cc3)[nH]c2c1 587244131 XCPOARGTZBMRSJ-UHFFFAOYSA-N 418.247 4.347 0 1 HIAF O=C(c1c(CO)oc2cc(Br)cnc12)C1(c2ccccc2)CCOCC1 587272877 CXXJPIFGSIGJKO-UHFFFAOYSA-N 416.271 4.014 0 1 HIAF Oc1nc(O)c2ccc(-c3cnc(Nc4cccc(C(F)(F)F)c4)s3)nc2n1 587368259 LTCBHTUIRWFYIQ-UHFFFAOYSA-N 405.361 4.322 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)c(C)nn1[C@@H]1CCCCO1)O2 587377637 OHPURAPFQLJZEC-HOTGVXAUSA-N 420.307 4.250 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2COc2ccc(CC(=O)O)cc21 587409621 RYPBKYPWIYUCTD-RUZDIDTESA-N 415.445 4.006 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C(C)(C)C)nc1C(=O)OCC)CC2=O 587474466 FFXQFGYCINYYGP-GOSISDBHSA-N 400.475 4.179 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 587552905 SYISIJFHPOMQCQ-YLJYHZDGSA-N 421.840 4.339 0 1 HIAF CCOC(=O)[C@H](c1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596066 NEIWXDUMSWPEKC-WATLYSKOSA-N 418.445 4.459 0 1 HIAF O=C(c1ccc(Br)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656161 BUWRPZXVTAYOBU-UHFFFAOYSA-N 413.202 4.247 0 1 HIAF COc1cccc(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587657316 YDUMOIBZMAPZOK-UHFFFAOYSA-N 406.388 4.233 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)nc2)N1 587681446 LBCMMSNHCHKHAQ-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccco2)N1 587706724 QWRJXYGIDCIACL-FVMDXXJSSA-N 420.200 4.481 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(N3CCOCC3)c2)N1 587716072 ITQXLSQIIXOQCM-ODXCJYRJSA-N 423.301 4.188 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587734838 WGNYSOIDCBREKB-YUNKPMOVSA-N 424.285 4.458 0 1 HIAF CC(C)COC(=O)N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587771079 VFKMDXWZPPCMDN-CYBMUJFWSA-N 413.331 4.206 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc3c(c2)CCCC3)N1 587832674 ZUETZOTUNMBWPL-LAJNKCICSA-N 418.306 4.329 0 1 HIAF CCN(c1ccc(-c2csc([C@H](C)Cn3cc(Cl)cn3)n2)cc1)S(C)(=O)=O 587922828 GUYGJAFEKKYQLN-CYBMUJFWSA-N 424.979 4.250 0 1 HIAF CO[C@@H](C)COC1CCC(c2nc3ccc(I)cc3[nH]2)CC1 587950207 AEJXPWQJUGNXKJ-DCBWTQNWSA-N 414.287 4.245 0 1 HIAF CCOc1cccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)c1 653702266 JOVXMQBAGDLGPL-UHFFFAOYSA-N 414.556 4.270 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2cccc(CN3CC=CC3)c2)(C2CCCC2)N1 962904326 VPLMNJVZLIFHCT-AZGAKELHSA-N 420.528 4.230 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2C2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)N1 962909472 XRMRMSOFBSDJRE-IBGZPJMESA-N 423.315 4.223 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cn(-c3ccc(C=O)cc3)c3ccccc13)NCC2 962920473 BAPQPQUUDXQFMG-AREMUKBSSA-N 423.516 4.380 0 1 HIAF CC(C)(O)c1ccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cn1 962963203 XNPMQVUISLFRCB-LJQANCHMSA-N 406.448 4.069 0 1 HIAF CCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)NCCc2ccc(O)cc21 963353796 TVIGIQUOXLVAOO-SQJMNOBHSA-N 413.558 4.412 0 1 HIAF C[C@H]1CC[C@@H](NC(=O)c2cc(-c3ccccc3)nn(Cc3ccc(F)cc3)c2=O)CC1 1772588245 ZCJZEMHPXBFNJP-UEDWGHLCSA-N 419.500 4.406 0 1 HIAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ccc(F)cc3)c2)c1 1772618194 NNRMTPTYWMKENE-UHFFFAOYSA-N 406.417 4.317 0 1 HIAF O=C(N[C@H]1CC[C@@H]([C@@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1)c1ccccc1 1857596271 GGPLEOHHSWNDKN-IKBNZHKXSA-N 401.510 4.193 0 1 HIAF CCC(=O)N1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1911573615 XJVUBJFJDVPVEZ-UHFFFAOYSA-N 404.526 4.342 0 1 HIAF COC(=O)C=C(OC)[C@H](C)[C@H](O)C=Cc1csc(-c2csc(C(C)C)n2)n1 2356618619 BHOYNBJAHBSDKO-IUODEOHRSA-N 408.545 4.104 0 1 HIAF CC1=C[C@H](CNC(=O)NC(C)C)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356351507 ZCZIQGJCUJMLEU-XUVXKRRUSA-N 411.550 4.236 0 1 HIAF O=c1cc(CN(Cc2ccccc2Cl)c2cnccn2)c2ccc(F)c(F)c2[nH]1 59097184 WICBSCNJNQTKEX-UHFFFAOYSA-N 412.827 4.457 0 1 HIAF CSCCSCCC(=O)OC[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C 100811479 WSLCFIYYDJNWLK-YSTOQKLRSA-N 411.608 4.422 0 1 HIAF O=S(=O)(c1ccc(Cl)s1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccccc1)C2 102082554 WWBXWWWAZYGPBG-CKEIUWERSA-N 419.959 4.359 0 1 HIAF COc1cccc(OC)c1[C@@H]1[C@H]2C[C@@H]2C(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258936 VCMQBVOUDONKQG-DOXZYTNZSA-N 407.388 4.322 0 1 HIAF O=c1[nH]nc2c3c(cccc13)N[C@H](c1ccc(CN3CCC3)cc1)[C@H]2c1ccccc1 118766931 DDDWCXKAHSQDHC-ISKFKSNPSA-N 408.505 4.428 0 1 HIAF CCCCCC(=O)N1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1 61923018 UPOQGJRHJOGQFT-NJDAHSKKSA-N 416.953 4.265 0 3 HIAF COc1cc(Nc2ncc3c(n2)CCN(Cc2cc(F)cc(F)c2)C3)cc(OC)c1 34870521 CEPGWKKGZRABHG-UHFFFAOYSA-N 412.440 4.074 0 1 HIAF O=C(NCc1ccc2c(c1)CCO2)C1=NC=C(C2=C(c3cccc(Cl)c3)CN=N2)C1 89469253 HPDKERKKTQTEAH-UHFFFAOYSA-N 418.884 4.497 0 1 HIAF FC(F)(F)c1ccc(CNCC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 45190010 SNSAQXZPGJSWDS-UHFFFAOYSA-N 406.448 4.436 0 1 HIAF CNC(=O)c1cccc(Sc2ccc(NC(=S)NC(=O)c3ccccc3)cc2)c1 40862471 LMVACMQCBRIUAN-UHFFFAOYSA-N 421.547 4.324 0 1 HIAF O=C(c1cnn2c1N(C(=O)Nc1ccccc1)[C@@H](c1ccccc1)C2)N1CCCCC1 82152816 RKKIMLGSFUCYEN-OAQYLSRUSA-N 415.497 4.303 0 1 HIAF CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccno3)cc2)C2CC2)CC1 224165819 NWWLXYYZSGXACH-UHFFFAOYSA-N 411.502 4.346 0 1 HIAF CCN(CC)CCOc1ccc2c(c1)C(O)c1cc(OCCN(CC)CC)ccc1-2 82152505 HQRTYOPHBYQCFD-UHFFFAOYSA-N 412.574 4.190 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3nccs3)cnc2C1 95553888 HSODDALEEGUMTO-UHFFFAOYSA-N 412.824 4.335 0 1 HIAF CCOC(=O)c1cc(C)n(-c2cc(Br)cnc2Br)c1C 587939691 ISZYBRPWFCKQNH-UHFFFAOYSA-N 402.086 4.191 0 1 HIAF COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC 587807797 NNZMHZPLTMRPLB-YBTHPKLGSA-N 424.310 4.412 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(C)c(Br)cc21 587457480 IKLGVWXMGQJGFM-HXUWFJFHSA-N 416.271 4.228 0 1 HIAF CN(C)CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587568398 CGDRDJZEPXETGD-ZJSXRUAMSA-N 405.450 4.036 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@H](C1)N3C(=O)OCc1ccccc1)O2 587398481 HVIRXLUGSJVFNL-PFWHTEFJSA-N 406.482 4.245 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ncnc1N1CCCCC1)CC2=O 587463324 WVMFJJSTTBTESW-KRWDZBQOSA-N 401.894 4.485 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ncccn1 587569980 JRVRJEQDXNRNAT-YKSBVNFPSA-N 414.392 4.227 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 587930896 HQGMXDXDFKMAJE-VGOFRKELSA-N 413.543 4.047 0 1 HIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cccc(Br)c2[nH]1 587259303 IRCURFRWQNTPLS-HNNXBMFYSA-N 417.307 4.032 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)OC(C)C)c4ccccc14)[C@@H](C2)C3=O 587431470 OZMDVMQNLUZGPT-XDHUDOTRSA-N 405.450 4.090 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ncc[nH]2)N1 587736726 UAKYGAGMAYVIBK-JEOXALJRSA-N 404.258 4.277 0 1 HIAF COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1O 587811396 ZWZAOILXWYIVEF-DGIBIBHMSA-N 410.283 4.109 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc(C(C)(C)CSC)[nH]c3c2)cc1 586968952 KRDLFBGWORWVIR-UHFFFAOYSA-N 405.545 4.013 0 1 HIAF CCON1CCC2(CC1)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961775885 KCHBQJDTPBUZDC-UHFFFAOYSA-N 401.551 4.081 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CCC(c3ccccc3)=C1CC(=O)O)N(C)[C@H](C)C2 962636280 YTNMRZWQNQXRHB-CPJLOUKISA-N 407.510 4.498 0 1 HIAF CCCc1n[nH]cc1[C@@H]1c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963833437 VWSFOSPQWSRPDP-IERDGZPVSA-N 413.518 4.397 0 1 HIAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C(\c1ccccc1)C(F)(F)F)N1CCCC1 13756441 XYMJLSISBIZWQD-XMDAQQFSSA-N 420.475 4.414 0 1 HIAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccc7c(c6)OCO7)c5c4CCN3C[C@@H]12 203467339 QDEAEXNRURDJNT-XNKDMPNBSA-N 417.509 4.117 0 3 HIAF O=S(=O)(Nc1cc(CCc2ccc(F)cc2)cc2cccnc12)c1ccccn1 1857555328 CAXPYZGXPJSFTF-UHFFFAOYSA-N 407.470 4.355 0 1 HIAF CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl 592430 UGXMERDWVUNBBX-UHFFFAOYSA-N 416.678 4.400 0 1 HIAF Cc1cccc2c(-c3ccc(F)cc3)cn(C3CCN(CCN4CCNC4=O)CC3)c12 13731245 BTXNBVXZBBDLMA-UHFFFAOYSA-N 420.532 4.418 0 1 HIAF Cc1oc(-c2ccco2)nc1CCC(=O)c1ccc(/C=C2\SC(=O)NC2=O)cc1 29546623 QPZPLBVBIFSOMM-WQRHYEAKSA-N 408.435 4.382 0 1 HIAF CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2[C@H]1O3 29570908 ZGWVRJWWDJNRNP-HSZRJFAPSA-N 422.481 4.120 0 1 HIAF CCCC[C@@]12C[C@]1(C(=O)Nc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc12 34821604 WTKWKSURDRXGQX-VXKWHMMOSA-N 412.873 4.447 0 1 HIAF C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1 40373983 UDRQASHQXVJFFN-UYQZGARLSA-N 410.558 4.029 0 1 HIAF C[C@@H]1C[C@@H](OC2CCCCC2)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40402533 MTSBFCKHSKFLIM-RDTXWAMCSA-N 406.914 4.014 0 1 HIAF O=C(OCc1ccccc1)[C@@H]1COC(c2ccc(OCc3ccccc3)c(F)c2)=N1 49087969 MOWWWXHIBBIBQF-NRFANRHFSA-N 405.425 4.294 0 1 HIAF CCN(CC)C(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72186105 GSEFSVZYKRVOEJ-OAQYLSRUSA-N 400.954 4.340 0 1 HIAF Cc1nc2c(N[C@@H](C)c3cc4cccc(C)c4c(=O)n3-c3ccccc3)ncnc2[nH]1 88345854 XXKWCSYBHGSILL-HNNXBMFYSA-N 410.481 4.447 0 1 HIAF CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccccc4)cc3)cc2S1(=O)=O 95604764 WVVARRFLFPIQLC-QGZVFWFLSA-N 413.520 4.450 0 1 HIAF CC1(C)C[C@H](OCCN2C(=O)c3ccccc3C2=O)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 103203910 PEDWJVYKFTVVKB-BOWIAGTOSA-N 411.542 4.045 0 1 HIAF CN1CCCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc3n2C)C1 115009074 FMGQUUVWGLSFKR-UHFFFAOYSA-N 413.521 4.286 0 1 HIAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3[C@@]12c1cccc(Cl)c1 115656013 QOXCWHJFAUGNOL-QHCPKHFHSA-N 406.844 4.292 0 1 HIAF CN1C(=O)[C@]2(N=C1N)c1cc(-c3ccccc3)ccc1OC21CCc2ccccc2CC1 141062765 CXHZNDILCIERGS-HHHXNRCGSA-N 423.516 4.046 0 1 HIAF CC(C)(C)NC[C@H](O)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)c2c1CCCC2 169317594 HTAQISVWPRZTDC-ZDUSSCGKSA-N 411.468 4.102 0 1 HIAF Cc1noc(C)c1[C@@H]1C[C@@](C)(c2cc(-c3cncnc3)c(F)cc2F)N=C(N)S1 221395115 UWUREBMKVJWTPP-PXNSSMCTSA-N 415.469 4.435 0 1 HIAF in-vitro COc1c2c(c(OC)c3c(=O)c(-c4ccc5c(c4)OCO5)coc13)C=CC(C)(C)O2 238760826 GAEOYWHVKRXNQF-UHFFFAOYSA-N 408.406 4.390 0 1 HIAF O=C1C[C@@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)c2c(Br)cccc2O1 587001979 CUPIULLAXKMOHM-SSDOTTSWSA-N 411.177 4.378 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)c3ccccc3Cl)nc2c1 587058652 HULYNDIGTGUIAO-OAHLLOKOSA-N 409.667 4.237 0 1 HIAF C[C@@H](c1nc2c(S)nc(S)nc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128853 RYDMMTMCLPLJHH-REOHCLBHSA-N 412.825 4.265 0 1 HIAF COc1ccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)c(F)c1 587148953 NLMNAZULMMOINM-UHFFFAOYSA-N 415.060 4.221 0 1 HIAF Cc1ccccc1OC(C)(C)C(=O)c1c(CO)oc2cc(Br)cnc12 587273538 LMHBGKHDAABQRT-UHFFFAOYSA-N 404.260 4.431 0 1 HIAF Cn1c(C(=O)O)cc(Br)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505940 WMAUINPSRHLSBC-INIZCTEOSA-N 404.260 4.071 0 1 HIAF CC(C)(C)OC(=O)N[C@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582290 ZLVNPUJTRUCIKK-IJRIMCCZSA-N 411.454 4.170 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3cccc(C)n3)c(=O)c3ccccc23)c(O)c1 587664135 AUGGPDBOARSITL-UHFFFAOYSA-N 400.482 4.308 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccn2)N1 587677210 HGIXAUFIOQPXHA-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc(N)cc3)C2)N1 587742550 AQBRVBLZLDWQRL-RWCMSOCESA-N 417.322 4.437 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587828675 OSJCAKLYYXBLGA-ZRNGKTOUSA-N 408.267 4.302 0 1 HIAF CCCNc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587854390 TWNKCIMOXXQJEX-YPMLDQLKSA-N 412.372 4.973 0 1 HIAF Cc1ccccc1-c1ccc(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587958670 FIGJFDRKBVOXKF-UHFFFAOYSA-N 405.523 4.379 0 1 HIAF COC(=O)C[C@H]1N=C(c2ccc(Cl)cc2C)c2cc(OC)ccc2-n2c(C)nnc21 653699441 MKZWYAWFICEQDA-GOSISDBHSA-N 424.888 4.001 0 1 HIAF COc1cc2c(cc1OC)[C@H](c1cc(Br)cc3c1OCC3)N(C)[C@@H](C)C2 962621823 ITDJKTAHGOWFDE-FKIZINRSSA-N 418.331 4.367 0 1 HIAF Cc1cc([C@@]2(CC(C)(C)C(=O)O)NCCc3c2c(C(C)C)nn3C)ccc1Cl 962905456 FBFGJOZAPXMGPN-JOCHJYFZSA-N 403.954 4.396 0 1 HIAF CCOC(=O)c1cccc([C@@]2(C(=O)OCC)N[C@H](CC)Cc3c2[nH]c2ccccc32)c1 962951599 IAYKYEAVHNLNLY-IQGLISFBSA-N 420.509 4.076 0 1 HIAF COc1cccc2cc3c(nc12)[C@H]([C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)NCC3 963045470 GBTKJPVJZBHVEJ-XERREHJYSA-N 411.546 4.466 0 1 HIAF CC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)[C@@H](OC(C)=O)[C@@]4(O)C(=O)OC 2356400855 LWNWMGNTSHEJGE-HEOGODQMSA-N 406.563 4.255 0 1 HIAF O=C1N[C@@H](Cc2ccccc2)c2nc3ccc(Cl)cc3c(=O)n2-c2ccccc21 61949333 HGQSHGLLANBRRX-IBGZPJMESA-N 401.853 4.066 0 3 HIAF CN1CCN(C(=O)c2ccc3c(c2)[C@H]2[C@H]([C@H]4CC[C@@H]2C4)[C@H](c2ccccc2)N3)CC1 4030203 HKKBEBHRHIGDGJ-BBDZFPCASA-N 401.554 4.371 0 1 HIAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295882 PHFXWLKDVFDSCF-DNAPSTMVSA-N 418.896 4.094 0 1 HIAF Cc1cc(C)c2c(n1)nn1c(C)c(CCC(=O)N[C@H](C)c3cccs3)c(C)nc21 5151077 PJRAUWCKMSOHKM-OAHLLOKOSA-N 407.543 4.383 0 1 HIAF O=C(Cc1ccccc1)Nc1cc(NCc2n[nH]c(-c3ccncc3)n2)ccc1Cl 13984051 GEPQSMPOMLNHIV-UHFFFAOYSA-N 418.888 4.313 0 1 HIAF CC1(C)CC(NC(=O)/C=C/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)CC(C)(C)N1 27560935 FIFZDWIUHFWXLX-KQQUZDAGSA-N 424.372 4.470 0 1 HIAF CCCN(Cc1cccc(Cl)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40408283 WSXIHOGIEKSLQO-NRFANRHFSA-N 420.891 4.010 0 1 HIAF O=C(NCCC1=CCCCC1)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 82081241 LMYAZDVQIBLGCD-KRWDZBQOSA-N 413.543 4.262 0 1 HIAF COc1cc([C@@H](C)NC(=S)NCc2ccc(C(C)(C)C)cc2)ccc1OCCN 84691007 VLPAROWWHSRGPV-MRXNPFEDSA-N 415.603 4.056 0 1 HIAF CC(C)OCCCCCCCCCc1cc2cn([C@@H]3CC[C@H](CO)O3)c(=O)nc2o1 95585180 UNLMHILIJACZPI-RTWAWAEBSA-N 420.550 4.358 0 1 HIAF CN(C)CCCn1cc(CNC2CCN(Cc3ccccc3)CC2)c2ccccc21 95595294 GQBGBAZUOKDLNR-UHFFFAOYSA-N 404.602 4.347 0 1 HIAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H](C)C(F)(F)F)cn1 141341239 AXSNSFLHODCXTA-CYBMUJFWSA-N 405.376 4.305 0 1 HIAF OC[C@H](O)c1nn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2cnccc12 145344740 XQUIYWKZHZDLGB-IBGZPJMESA-N 415.371 4.257 0 1 HIAF CCN(CC)C(=O)[C@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@@]4(C)[C@@H]3CC[C@@]12C 169713511 SLZJMEMEWDUTRZ-PDYFZDANSA-N 403.611 4.127 0 1 HIAF CCCN(c1ncc(F)cn1)[C@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1 203539286 SPOMEYVKAWSKFQ-HNNXBMFYSA-N 416.884 4.082 0 1 HIAF CCN(CC)C(=O)CSc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224811203 BWJDFXPBVLTYTA-UHFFFAOYSA-N 410.518 4.492 0 1 HIAF COc1c(Cl)ccnc1C(=O)N[C@H](CC(=O)O)c1ccc(-c2ccccc2)cc1 261095461 FHROHWBIVJICSI-GOSISDBHSA-N 410.857 4.356 0 1 HIAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@@H]3[C@@H](O)[C@]21C 504714280 LFQOBUGWTJTTGE-CFDNVXEASA-N 423.597 4.226 0 1 HIAF biogenic Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587122249 UQIBJPPIHLZOET-UHFFFAOYSA-N 421.400 4.389 0 1 HIAF COc1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 587167482 NXBGKMZLBYWHAH-UHFFFAOYSA-N 403.460 4.240 0 1 HIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587244930 PNLIFJRZSKFQSN-UHFFFAOYSA-N 404.323 4.259 0 1 HIAF CCOc1ccc([C@@]2(CN)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587335090 KQUMQVAYOVHXAL-ISKFKSNPSA-N 407.441 4.143 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346379 MGGFXBCMDPMUDR-GBXCKJPGSA-N 421.424 4.457 0 1 HIAF COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)c[nH]1 587379512 VGURHBXZELHMEK-QHCPKHFHSA-N 424.884 4.449 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)ncc1Br)O2 587382489 LZPUGHWEYYCAJJ-CYBMUJFWSA-N 401.182 4.460 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC4(CC3)OCCO4)cc1)CC2=O 587474206 FPRZTQXBHXALTG-QHCPKHFHSA-N 423.509 4.395 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC13CC3)CC2=O 587474586 IOEDFMWVTJSSRU-HSZRJFAPSA-N 401.503 4.470 0 1 HIAF CCOC(=O)C[C@]1(c2n[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587523993 JFSVGLCAJFPSEC-DEOSSOPVSA-N 404.466 4.256 0 1 HIAF CC(=O)N(C)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587568291 BIJVQKJKFVPABE-URXFXBBRSA-N 403.434 4.252 0 1 HIAF CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587584157 WWCJIYQCKBSAOH-GOSISDBHSA-N 411.454 4.124 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ncc[nH]2)N1 587735534 QGNAEBHERRVANQ-WYRIXSBYSA-N 404.258 4.277 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCN(C)C)(c2ccc(O)cc2)N1 587741408 MWMLDZSUDNLDCI-XCLFUZPHSA-N 407.327 4.023 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587754913 FLFFYUGIUKQVLG-ADLMAVQZSA-N 409.347 4.135 0 1 HIAF O=c1c2ccc(C(F)(F)F)nc2ncn1Cc1cc(-c2ccc(Cl)cc2)no1 653851672 VOVMMLRCNBZJLC-UHFFFAOYSA-N 406.751 4.167 0 1 HIAF Cc1sc2nc(SCC(=O)c3ccccc3)n(N)c(=O)c2c1-c1ccccc1 958054812 BGZRGRBYVLXWPQ-UHFFFAOYSA-N 407.520 4.122 0 1 HIAF FC(F)(F)c1cccc2c1[C@H](c1nc3cnccc3s1)NCC21CCOCC1 962955369 KQBVMKWCDZSLDU-QGZVFWFLSA-N 405.445 4.451 0 1 HIAF c1ccc([C@H]2NCCc3nc4ccccn4c32)c(OCCCCN2CCCCC2)c1 962984392 DBAUSUOLVZRTMN-XMMPIXPASA-N 404.558 4.214 0 1 HIAF COc1ccc(-c2noc(C)c2[C@@H]2NCCc3cc4cccc(OC)c4nc32)cc1 963049285 BPMSDBBOZUPSPU-DEOSSOPVSA-N 401.466 4.451 0 1 HIAF CC(C)CNC(=O)[C@H]1[C@@H]2C[C@H]3[C@H]4[C@H]2C=C[C@H]1[C@@H]4[C@@H]3CCCc1ccc2c(c1)OCO2 2356368716 MZNYKIXDEPFZJF-FVOAHFHWSA-N 407.554 4.441 0 1 HIAF CCCC[C@@H](CC1=CCN=C1)[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O 2356818245 DRXKBLFMRWTLGS-REWPJTCUSA-N 415.530 4.432 0 1 HIAF COc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccc(OC)c3ccccc23)cc1OC 61902859 IYHGZMIQFVPYAZ-VWLOTQADSA-N 420.509 4.469 0 3 HIAF COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cc1 61903152 IGJNVMLDMQELPO-DEOSSOPVSA-N 417.465 4.048 0 3 HIAF CCCCN(C)C(=O)c1ccc(Nc2nc([C@H](N)Cc3ccccc3)cs2)nc1 61907773 KEYLYKKEADUEOA-GOSISDBHSA-N 409.559 4.396 0 3 HIAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCc1ccc(OC(F)(F)F)cc1 771392 CSZCBLGGJJYWEN-FQEVSTJZSA-N 422.403 4.041 0 1 HIAF COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccccc4OC)cc23)c1 5006894 PLDSYTKLKFGXMC-UHFFFAOYSA-N 407.495 4.249 0 1 HIAF COc1c2c(c3ccoc3c1OC)O[C@H](c1ccc3c(c1)OCO3)[C@@H](OC)[C@@H]2OC 13376250 GOCVYXVPIUFXNU-OZOXKJRCSA-N 414.410 4.015 0 1 HIAF biogenic CCCCNCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 27628039 YECPQDIJDOJYFH-UHFFFAOYSA-N 418.029 4.088 0 1 HIAF O=C1Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[C@]1(O)c1cc(Cl)ccc1O 29318077 HVWAOJYKZRILEF-CQSZACIVSA-N 411.685 4.271 0 1 HIAF CN(C1CCOCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 43122525 UIDVVYFYTIPHHE-UHFFFAOYSA-N 422.548 4.303 0 1 HIAF CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\CCCCCCCOC2CCCC2)C(=O)O1 45357089 JLXYXSJLRIQZLH-BLGDVBTISA-N 424.578 4.480 0 1 HIAF Cc1c(O)nc(SCC(=O)c2ccccc2)nc1CN1CCCc2ccccc21 72178104 WPZFJLXKIUCJGX-UHFFFAOYSA-N 405.523 4.418 0 1 HIAF Cc1ccc(C(=O)NC2CC2)cc1-c1cnc2c(c1)NC(=O)C21CCC(F)(F)CC1 72180065 RXPMNVHJGHHMJK-UHFFFAOYSA-N 411.452 4.348 0 1 HIAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@H]1c1ccccc1C(F)(F)F 73141804 MGHXJPGFHCEQPA-UYAOXDASSA-N 408.372 4.104 0 1 HIAF C[C@H](CNc1ncnc2c1nc(C1CC1)n2CC[C@@H]1CCCN1C)c1ccccc1 82197249 KGKSPQVSBSVBFU-XLIONFOSSA-N 404.562 4.404 0 1 HIAF O=C(c1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 95878318 GEDLLFRQMJGBKD-ZTCOLXNVSA-N 402.469 4.483 0 1 HIAF Cc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4c(C)n[nH]c4C)ccn3)cc2)n1 103237332 RLTYMZOLUUHEKX-UHFFFAOYSA-N 412.457 4.376 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](F)C[C@]4(C)[C@H]3CC[C@]12C 169370397 JPOAJVXSZNVFCE-PJJPQBFOSA-N 406.586 4.282 0 1 HIAF CC(C)=CCC/C(C)=C/COc1ccc(CCN(C)C(=O)/C=C/S(C)(=O)=O)cc1 238746641 IPDUMYRKLCXLQE-IWSLWXFRSA-N 419.587 4.317 0 1 HIAF O=C(c1ccccc1-c1ccco1)N1CC[C@@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 261084924 CJWALWGZPZBUMF-VGSWGCGISA-N 410.477 4.241 0 1 HIAF COc1ccc(S(=O)(=O)N2CCc3cccc(Nc4ccc(F)c(F)c4)c32)cc1 299834664 VBDBHVPEEWKIOE-UHFFFAOYSA-N 416.449 4.468 0 1 HIAF O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Br)cc1 324699833 XXAIETNIVVDOTG-UHFFFAOYSA-N 407.739 4.498 0 1 HIAF COc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1C 586959703 LPJVCOGQSDXGFN-DEOSSOPVSA-N 407.333 4.383 0 1 HIAF O=Cc1cc(Br)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 586982969 SSJHREJYRFUVHE-UHFFFAOYSA-N 405.561 4.219 0 1 HIAF Cc1nn(CCC(=O)O)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987353 NJMRWJOTSVETNB-UHFFFAOYSA-N 413.433 4.107 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)C[C@@H]2CCCC[C@H]21 587026362 LCOUEAGCOPHNIK-IPELMVKDSA-N 423.538 4.471 0 1 HIAF Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)cc(F)c2[nH]1 587181875 GPYSKHUYBVDVGW-SSDOTTSWSA-N 404.614 4.074 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOC3=O)cc2)N1 587769888 ZQSKANPUBOLBNZ-YUNKPMOVSA-N 419.294 4.343 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccc(C(=O)O)c23)N1 587802873 OASLXNWDSQLYEZ-DYBLOJMWSA-N 403.251 4.391 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2N2CCSCC2)N1 587853949 BPOQSBAIMJJEIC-ACWOFJMJSA-N 413.400 4.309 0 1 HIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587929850 NEIHLFPSPLHVME-DJJJIMSYSA-N 401.260 4.477 0 1 HIAF COC(=O)c1cc([C@@]2(c3ccc(OC)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c[nH]1 963109161 UMZOSFZOLHABQN-CPJSRVTESA-N 420.484 4.261 0 1 HIAF CC(C)[C@@H]1CCCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857647352 CDYWHQTYQFZHCV-ROUUACIJSA-N 400.469 4.328 0 1 HIAF O=C(c1ccccc1)N1CCN(C(=S)SCc2nc3ccccc3s2)CC1 1911575193 IHUYKXVKJOPRJH-UHFFFAOYSA-N 413.593 4.272 0 1 HIAF CCCCC(=O)N1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 18151819 LXWIOYNCLXWINJ-QHCPKHFHSA-N 424.516 4.493 0 3 HIAF COc1ccccc1CNC(=O)Nc1nc([C@@H](N)Cc2ccc(Cl)cc2)cs1 61904811 KPTXFSOWTSTPTR-INIZCTEOSA-N 416.934 4.369 0 3 HIAF COc1ccc(CN2Cc3cc(-c4ccc(OC)cc4)ccc3-n3nncc3C2)cc1 72120344 FZUADVSKGLOYDK-UHFFFAOYSA-N 412.493 4.467 0 3 HIAF CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 763116 ROLVZHXYYWDVMM-HXUWFJFHSA-N 407.514 4.154 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCc1ccccc1N 4080122 AQYZSFQCRXCLCL-IRLDBZIGSA-N 421.522 4.137 0 1 HIAF COCO[C@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 101038321 ASVJPCQXPWNHDI-MBDNFAEBSA-N 403.469 4.295 0 1 HIAF Cc1ccc(C(=O)c2cnn3c(-c4cccc(NC(=O)C5CC5)c4)ccnc23)s1 28819302 RNXZMAJUWIKWCA-UHFFFAOYSA-N 402.479 4.346 0 1 HIAF C[C@@]1(C(=O)NCC2CCOCC2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61930150 JPIMTAUNFNBCST-NRFANRHFSA-N 420.431 4.004 0 3 HIAF CCOc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3ccccc3Cl)o2)n1 28563497 JLXQEIJQQFICLH-UHFFFAOYSA-N 416.890 4.224 0 1 HIAF CCC[C@H](NC(=O)[C@@H](CSC(=O)c1ccccc1)[C@@H](C)c1ccccc1)C(=O)O 26017770 SJKCRFUVZBJZMH-VDGAXYAQSA-N 413.539 4.349 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H]3CCCCC3=O)CN(C)[C@H]1C2 27518814 HFQSQNJGOYLPPV-HCOVKFPFSA-N 408.542 4.237 0 1 HIAF COC(=O)C1=CO[C@H](C)[C@]2(C)CN3CCc4c([nH]c5ccc(OC)cc45)[C@]3(C)C[C@]12C 2356517032 UHDJCSZGZJGMDR-LDGVHTGRSA-N 424.541 4.142 0 1 HIAF COc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccc(OC(F)(F)F)cc2)cc1OC 61927189 SABNASAKWJHHDR-HXUWFJFHSA-N 424.419 4.206 0 3 HIAF CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNC(=O)c1ccccc1F 27522691 YAOQWBSTVZSGGB-INIZCTEOSA-N 405.448 4.051 0 1 HIAF CC1=CC(=O)OC1=C[C@H](O)[C@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@H]3C(C)(C)CCC[C@]32C)O1 2356727496 HXIGCIAAEQXXQZ-MQRWUSMOSA-N 418.574 4.276 0 1 HIAF O=C1OC[C@H](Cc2ccc(F)cc2)[C@H]1Cc1ccc(I)cc1 1911584614 JRSOFPKGPHBQNG-WMLDXEAASA-N 410.226 4.005 0 1 HIAF NCC(=O)O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 40394799 QRCGKZHMDVRFJM-HTJVRVFOSA-N 404.554 4.073 0 1 HIAF COc1ccc(C(=O)Nc2ccccc2C(=O)O)c(NC(=O)c2ccccc2F)c1 84711841 AUTIEJQEJLMKFK-UHFFFAOYSA-N 408.385 4.037 0 1 HIAF Cc1nc2nc(NCc3ccc(Br)cc3)nn2c(O)c1Cc1ccccc1 253496717 KNNNFWCGAYVXDX-UHFFFAOYSA-N 424.302 4.104 0 1 HIAF CS(=O)(=O)c1ccc([C@@](O)(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653801585 FMSQUGVLINIZDM-NRFANRHFSA-N 418.946 4.436 0 1 HIAF Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587385631 DLVOCQCLCVPQBW-RUZDIDTESA-N 415.493 4.271 0 1 HIAF CCO[C@@H](C)c1nc(C)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)s1 587013942 DDSRAEYYYQACKO-LBPRGKRZSA-N 410.503 4.152 0 1 HIAF O=S(=O)(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 586925406 ZAUVLBVXOVQDCT-UHFFFAOYSA-N 411.243 4.202 0 1 HIAF O=c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cn1Cc1ccc(Cl)cc1Cl 587058912 SHVITEOINXKRSM-UHFFFAOYSA-N 414.248 4.475 0 1 HIAF CCOC(=O)c1ccc(-n2cccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587429879 DLRKVPHHQNXUHE-JPYJTQIMSA-N 403.434 4.151 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587802336 LGWIPMZBKZBJHZ-HOGDKLEQSA-N 407.283 4.037 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586144 HLYCZOPWTQLKSL-JNMUUFBJSA-N 423.465 4.122 0 1 HIAF Clc1ncnc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc12 587000346 MHWLMMMRKUNTTF-UHFFFAOYSA-N 415.682 4.443 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3CCOCC3)c2)N1 587775756 UTZFXJAZFSEVJL-RBZFPXEDSA-N 405.311 4.048 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC(=O)Oc3cc(Br)ccc31)CC2=O 587458083 POAANXDCDALMNQ-HXUWFJFHSA-N 417.255 4.277 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccc5c(c4)OCCO5)cs1)[C@@H](C2)C3=O 587453151 VCOGGPVSUJSMGY-LHSJRXKWSA-N 407.447 4.079 0 1 HIAF CN(c1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1)S(C)(=O)=O 587923047 LIFVGKRVURTPKU-UHFFFAOYSA-N 413.446 4.287 0 1 HIAF COc1ccc2c(c1)[C@@](c1ccccc1)(c1cccnc1C(=O)O)N(C(C)C)CC2 962088251 FQASETKKFRTNPF-RUZDIDTESA-N 402.494 4.347 0 1 HIAF CCc1nnc(-c2ccc(C(F)(F)F)nc2Nc2cc(OC)c(OC)c(OC)c2)o1 1772636489 WBKIORHUHPHDBK-UHFFFAOYSA-N 424.379 4.482 0 1 HIAF Cc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 1772575412 VPCBUIFZQHYYDU-DEOSSOPVSA-N 403.522 4.323 0 1 HIAF O=C(CC(=O)N1N=C(N2CCCCC2)C[C@@H]1c1ccccc1)Nc1ccc(Cl)cc1 5541988 AOABVNZKJIMHHB-HXUWFJFHSA-N 424.932 4.442 0 1 HIAF Cc1cccc(CN2C(=O)CC[C@H]2CCNCc2cc3c(cc2Cl)OCO3)c1 11881401 CPGNLHSLQWQFLN-SFHVURJKSA-N 400.906 4.048 0 1 HIAF CN(C(=O)CCCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCC1 13725624 SXAOSCAYNCSZQN-UHFFFAOYSA-N 410.518 4.135 0 1 HIAF CCN(C=O)c1cc(C(=O)O)cc(OCc2ccccc2)c1C(=O)c1ccccc1 169343316 BZWGSNNCNCLJOS-UHFFFAOYSA-N 403.434 4.178 0 1 HIAF O=C(N[C@H]1CCCc2cccnc21)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721963 YLOMGERBNLRWBO-SCTDSRPQSA-N 413.477 4.232 0 1 HIAF COc1ccccc1-c1nnc(Nc2ccc(CC(=O)N(C)C)cc2)c2c1CCC2 1857549522 WBAZHIVEDONVTL-UHFFFAOYSA-N 402.498 4.015 0 1 HIAF Cc1cnc(SCc2cc(=O)oc3cc(OCc4ccccc4)ccc23)nc1O 1857639444 VEYBHTVHZLSXJA-UHFFFAOYSA-N 406.463 4.468 0 1 HIAF Cc1ccc(C)c(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)c1 1857763321 YVRWNMHWWUQWJP-UHFFFAOYSA-N 411.483 4.003 0 1 HIAF COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(OC)c(OC2CCCC2)c1 3811197 RANNMNVOFBNEQA-ZWKOTPCHSA-N 419.518 4.140 0 1 HIAF COc1ccc(CN[C@H]2C[C@H](C(c3ccccc3)c3ccccc3)OC[C@@H]2O)cc1 13648541 RUVPTFYWDPFBOR-CCDWMCETSA-N 403.522 4.135 0 1 HIAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cccc(O)c3)CC[C@@H]12 26962245 NOUYCYGNOBPMES-FKHIRMOZSA-N 408.542 4.244 0 1 HIAF CC(C)(C)c1nc2cc(S(=O)(=O)c3ccco3)ccc2n1CC1CCOCC1 29048020 SRUAHFNOFDLLCI-UHFFFAOYSA-N 402.516 4.186 0 1 HIAF O=C(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)N1CCN(c2ncccn2)CC1 34804972 WNYOKIADMYAOIR-UHFFFAOYSA-N 412.415 4.125 0 1 HIAF C[C@@H]1CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC[C@@]12C=Cc1ccccc12 36348410 MKYSQFPCLREISL-DLQDVTGGSA-N 413.583 4.018 0 1 HIAF O=C(O)c1cn(Cc2ccc(-c3ccccc3Cl)cc2)c2c(c1=O)[C@H](O)CCC2 49073368 VUBYDDCPVRSCLP-HXUWFJFHSA-N 409.869 4.285 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)c1C 71333091 KKAKZTLYKANGNB-JFIYKMOQSA-N 412.490 4.057 0 1 HIAF O=C(Nc1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 100106163 LZARARBGRZBLRH-RMNGQBEXSA-N 413.477 4.054 0 1 HIAF COc1cc(/C=C2\N=C(O)N([C@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 102142032 DQPRQEYWAYIBFI-SMLKNPDNSA-N 420.444 4.187 0 1 HIAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](C(C)(C)c1ccc(Cl)cc1)NCC2 114978443 APWPJLLDCRXOMN-OAQYLSRUSA-N 421.006 4.334 0 1 HIAF CCOc1ccc(-n2nc(C(=O)Nc3cccc(OC)c3)c3ccccc3c2=O)cc1 165557302 GIKWGSBSJPDOER-UHFFFAOYSA-N 415.449 4.045 0 1 HIAF CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1ccccc1OC)C[C@@H](C)CC3 206149571 DCIFFTAOKNOUHO-RNODOKPDSA-N 407.514 4.192 0 1 HIAF COc1cc(-c2cnn(C)c2)ccc1Nc1cc2c(-c3cnn(C)c3)nccc2cn1 207617035 MJDHFZFFJISGCH-UHFFFAOYSA-N 411.469 4.183 0 1 HIAF CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 238779222 IFIFFBWHLKGTMO-DFOFGCAJSA-N 406.563 4.275 0 1 HIAF COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(F)cc1 299878736 JQCDMIRMFIZVRY-LDYFCKCXSA-N 415.461 4.231 0 1 HIAF N[C@H]1CC[C@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4ccc(O)cc4)cc23)CC1 473194497 OXFLRMSGADYGMO-WGSAOQKQSA-N 401.510 4.304 0 1 HIAF Oc1ccc(C2(c3nc4c(Br)cnc(Br)c4[nH]3)CC2)cc1 586896474 ROJLBGCYSGRHSG-UHFFFAOYSA-N 409.081 4.268 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587042756 LWZWQDCVCUVARC-CQSZACIVSA-N 409.801 4.193 0 1 HIAF Oc1c(F)cc(F)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 587134942 XIDKJVASWXQLEX-UHFFFAOYSA-N 404.996 4.134 0 1 HIAF O=C(N[C@H](c1ccccc1)c1nc2ccnc(Br)c2[nH]1)c1ccccc1 587217117 BBVSGHBWFJCZSG-MRXNPFEDSA-N 407.271 4.240 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccc(O[C@H](C(=O)O)c4ccccc4)c1)[C@@H](C2)C3=O 587439175 KFPGJVABZSFRGF-IEXUWNMDSA-N 416.429 4.389 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccccc1OC)([C@@H]1CCCC[C@H]1C(=O)O)[C@@H](C2)C3=O 587440177 AXONLIVUGNWMDM-VMTLLXLJSA-N 422.477 4.238 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cc(C)n3CC(=O)OCC)CC2=O 587474695 GTKNZAKPUMZGNQ-XMMPIXPASA-N 411.498 4.215 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1c(Cl)ncnc1Cl 587555032 ZCSOUYNOWWKWGF-HUUCEWRRSA-N 403.221 4.062 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(N3CCOCC3)c2)N1 587720775 UAUCWLPCSKJYLT-MPBGBICISA-N 423.301 4.188 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCNC(=O)OCc2ccccc2)N1 587756955 SNWXRKFOUSHHOE-ORAYPTAESA-N 421.310 4.480 0 1 HIAF CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587778863 OLAKAQSEUFSCNM-OACQNMCBSA-N 421.310 4.080 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587807311 MSIWQDSOMXFZAF-GIGQVBGESA-N 408.267 4.146 0 1 HIAF COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCCO2 587835591 QJLHMGBQDKOJQY-BIBXISHDSA-N 422.294 4.382 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3sc(N)nc23)N1 587859347 WBWFMZSLOFXXEA-DYBLOJMWSA-N 406.324 4.578 0 1 HIAF COc1cccc(NCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 587862833 YBNJMBUYEWIORK-UHFFFAOYSA-N 405.376 4.338 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC[C@H]3CN(C(C)=O)c4cccc1c43)N(C)[C@H](C)C2 962633503 PHTWCLXSFFAUPY-VFHHBZAHSA-N 406.526 4.068 0 1 HIAF CCOc1ccc2[nH]cc([C@@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)c2c1 962662577 ILLOCMVWOCCUCF-WIOPSUGQSA-N 415.493 4.303 0 1 HIAF COc1cccc2cc3c(nc12)[C@H]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)NCC3 963045468 GBTKJPVJZBHVEJ-FPDPHYFHSA-N 411.546 4.466 0 1 HIAF [C-]#[N+]c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1 1772580285 TUVMYGJFJFCRAS-UHFFFAOYSA-N 418.888 4.121 0 1 HIAF COc1ccc(F)cc1-c1cc(NC(=O)c2c(F)cccc2F)c2nnc(C)n2c1 1857591917 GWVRNVDHCLUEOK-UHFFFAOYSA-N 412.371 4.383 0 1 HIAF CCC[C@H](O)[C@H](C)CCCCCCC[C@H](O)C[C@@H](O)CCCCC[C@H](O)C(=O)O 2356340825 YXZHHELWIWHYJZ-FXTUREPZSA-N 418.615 4.022 0 1 HIAF COC(=O)C=C(OC)[C@H](C)[C@@H](C=Cc1csc([C@H]2CSC(C(C)C)=N2)n1)OC 2356621667 MKHXEKLNLZKVLK-FVQBIDKESA-N 424.588 4.353 0 1 HIAF CC(=O)OC1=C[C@]2(OC1=O)[C@H](C)CC[C@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356839232 LRXVNKHVSMZEPI-IEGXEERQSA-N 404.547 4.379 0 1 HIAF COc1ccc(-c2noc(C)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 774254 BJEYETOZYFQVDO-UHFFFAOYSA-N 406.360 4.487 0 1 HIAF CN(C)CCNC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl 1638077 OFXHVBRKCHCHNV-UHFFFAOYSA-N 423.340 4.060 0 1 HIAF CCOc1ccc(C(=O)N2CCC(c3nnc(-c4ccccc4OC)o3)CC2)cc1 6737479 RVYWSVIWWLIZRW-UHFFFAOYSA-N 407.470 4.164 0 1 HIAF CCN(CC)C(=O)[C@H]1CCC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@@H]3CC[C@]12C 34801307 SLZJMEMEWDUTRZ-WJZSUSRFSA-N 403.611 4.127 0 1 HIAF COc1ccc(OC(F)(F)F)cc1CN[C@H]1CC[C@H]2CC[C@]1(c1ccccc1)N2 36126632 GXIFPPFQXPIEKY-DZFGPLHGSA-N 406.448 4.493 0 1 HIAF NCC(=O)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 40394797 QRCGKZHMDVRFJM-WLBZYZASSA-N 404.554 4.073 0 1 HIAF CC(C)(C)OC(=O)NC1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72103053 FPTNISWBXJYFJZ-LJQANCHMSA-N 420.916 4.348 0 1 HIAF COc1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCN2CCCCC2)cc1 82177786 RMMWAWKDMYMTJX-UHFFFAOYSA-N 408.550 4.056 0 1 HIAF Cc1ccccc1S(=O)(=O)N(c1ccc([C@](C)(O)C(F)(F)F)cc1)C(C)C 84706564 YRIRMNRRNPZVBT-SFHVURJKSA-N 401.450 4.369 0 1 HIAF Cc1nc2ccccc2nc1/C=C/c1nc(OC2CCOCC2)cc(N2CCCC2)n1 95572337 JXVSVBCMGBWSMM-CMDGGOBGSA-N 417.513 4.057 0 1 HIAF O=C(Nc1cccc(N2CCCCC2)n1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 95579662 WDKKKLHFWNLZLI-SFHVURJKSA-N 405.502 4.397 0 1 HIAF O=C(O)c1cccnc1Sc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1 96258048 MZPJXMGRBXPYFX-UHFFFAOYSA-N 423.881 4.343 0 1 HIAF Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(CO)cc2)s1 96927954 YCHQFRFMSZAMGH-UHFFFAOYSA-N 406.507 4.360 0 1 HIAF Cc1nnc([C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C(C)C 141523676 MPJKALXGNFCRCH-IBGZPJMESA-N 418.950 4.083 0 1 HIAF CCOC(=O)c1c[nH]c2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2c1=O 169323688 RFUDXDQUPJDMHE-UHFFFAOYSA-N 407.344 4.182 0 1 HIAF C[C@@H](NC(=O)Nc1cc2n[nH]c(Br)c2cn1)c1ccc(F)c(Cl)c1 205426803 OCDRNUHQZRLBGO-SSDOTTSWSA-N 412.650 4.396 0 1 HIAF O[C@@H](COc1ccccc1-c1nc2ccccc2o1)CN1CCC[C@H]1c1cccnc1 253733366 FNEBLCTZWCYYMQ-KNQAVFIVSA-N 415.493 4.467 0 1 HIAF O=c1cc(CNCCCCNc2ccnc3cc(Cl)ccc23)n(C2CC2)cc1O 299838577 NCUYWSPAJWJCAZ-UHFFFAOYSA-N 412.921 4.072 0 1 HIAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 586936715 JTHKHVGTPFRKOW-GFCCVEGCSA-N 417.293 4.079 0 1 HIAF CCOc1cc(/C=C\c2nc3cncc(OC)c3[nH]2)cc(Br)c1OC 586978657 ZYRMNIDQCPCEBI-WAYWQWQTSA-N 404.264 4.307 0 1 HIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(-n3cnnn3)ccc2[nH]1 586980666 CQVIMACCPUZBBR-UHFFFAOYSA-N 420.274 4.067 0 1 HIAF COc1c(F)ccc(F)c1-c1nc2c(I)cnc(Cl)c2[nH]1 587133016 NWDSZJZUXPYVFG-UHFFFAOYSA-N 421.572 4.170 0 1 HIAF Ic1cnc2ccc(-c3nc4ccc5ncccc5c4[nH]3)cn12 587188162 PCHNYCPSXSWFOI-UHFFFAOYSA-N 411.206 4.030 0 1 HIAF Nc1ccccc1-c1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 587250610 NJWRIPJJBHQNAN-UHFFFAOYSA-N 412.234 4.479 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 587258661 QBCCFQYKUVBDEQ-FQEVSTJZSA-N 422.554 4.037 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc3c(c2)CCC3)[C@H]1c1ccc(F)cc1 587355166 TWLSJWAPBXTDIC-DHLKQENFSA-N 418.420 4.359 0 1 HIAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1O 587413398 NZKXXGCDQUWZDO-CWTRNNRKSA-N 405.244 4.051 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1S(=O)(=O)c1ccccc1)CC2=O 587486012 LAEVGNUVKXRWMS-OAQYLSRUSA-N 411.479 4.090 0 1 HIAF CC(C)N1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587594551 MUTBIQRXGXKZCX-HYBUGGRVSA-N 401.418 4.004 0 1 HIAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O 587597288 QORKDAOHGJYAKU-KNQAVFIVSA-N 406.390 4.192 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2Br)N1 587680597 HZZUHTKATVUPET-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587728056 QVRWFHNZNIXDJI-JEOXALJRSA-N 410.258 4.068 0 1 HIAF CC(C)NC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587753761 ICIVUXIKPIBPSE-HXPMCKFVSA-N 405.311 4.350 0 1 HIAF COc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 587756723 FDUDWYXOTFCUDH-ODXCJYRJSA-N 416.294 4.406 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccc(O)cc3oc2=O)N1 587838857 CUOAPLHSVAVTDG-CFMSYZGJSA-N 418.262 4.198 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c1 587928021 VYZHZJLXLBAOPG-UHFFFAOYSA-N 413.543 4.038 0 1 HIAF COc1ccc([C@@H](c2ccccc2)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 587937138 NHLVBJVVXNVKAG-OAQYLSRUSA-N 421.522 4.002 0 1 HIAF CCN1C(=O)c2ccccc2N[C@@H]1c1nc(C(=O)OC)cc2c1[nH]c1ccccc12 653778079 SZUBGMXFTITBGA-NRFANRHFSA-N 400.438 4.089 0 1 HIAF COc1ncc([C@@H]2c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)s1 963852721 DOXNTZKZAJBUHV-KDOFPFPSSA-N 418.515 4.186 0 1 HIAF O=C(NCCN=c1c2c([nH]c3ccccc13)CCCC2)c1cnc(Cl)c(Cl)c1 1857536204 PVWBYMQPLCBVKB-UHFFFAOYSA-N 415.324 4.079 0 1 HIAF C/C(=C\CC[P@](=O)(NCC(=O)OC(C)C)Oc1ccc2ccccc2c1)CO 1857646238 UZAJPIFIKQLZHC-YHLMRZRMSA-N 405.431 4.282 0 1 HIAF COc1cccc2nc(C[C@H]3CN(C4CCC(F)(F)CC4)CC[C@@H]3CC(=O)O)[nH]c12 2356305830 LFIIITKDYALOSP-CABCVRRESA-N 421.488 4.105 0 1 HIAF CC[C@H](O)c1cc(=O)c2c(O)c3c(cc2o1)O[C@](C)(CC=Cc1ccccc1)[C@@H](O)C3 2356376596 VDUTYPQENGHNNX-QOKIKDITSA-N 422.477 4.100 0 1 HIAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCC(=O)OCC 2356457301 LNTDXQBTXGZQAB-ACRUOGEOSA-N 423.594 4.099 0 1 HIAF C[C@H]1CN(Cc2ccc3c(c2)CN(Cc2cccc4cccnc24)CCO3)C[C@@H](C)O1 11814850 IRLBSESVXXCFLC-BGYRXZFFSA-N 417.553 4.239 0 1 HIAF CC[C@@H](c1ccc(F)c(C(F)(F)F)c1)n1c(C(=O)OC)c(C(=O)OC)[nH]c1=S 14191518 LNTUBWHTZVKTJS-NSHDSACASA-N 420.384 4.276 0 1 HIAF COc1cc(/C=C/C(=O)OC[C@@]2(C)C=Cc3cc(C(C)=O)cc(OC)c3O2)ccc1O 14508138 DIFAJKVMINUCRH-HLZSCNFSSA-N 424.449 4.033 0 1 HIAF COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)C(=CC(C)(C)OC(C)=O)C(=O)O2 14721520 SEEMOEHWVXEBAV-UHFFFAOYSA-N 420.417 4.113 0 1 HIAF biogenic CCCNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1Cl 28232271 HDMKBOBLEBMSNP-KRWDZBQOSA-N 401.938 4.175 0 1 HIAF COC(=O)c1nc(-c2csc([C@@H](NC(=O)c3cccc(F)c3)C(C)C)n2)oc1C 28529545 MVMWUUZRYZPRFV-HNNXBMFYSA-N 417.462 4.159 0 1 HIAF CSC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 29044041 XNHYVMCHXKZYHD-QMMMGPOBSA-N 412.355 4.040 0 1 HIAF O=S(=O)(c1ccccc1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1 40394605 ZTYMTRMBGCVJFI-WIOPSUGQSA-N 422.594 4.049 0 1 HIAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(F)c(Cl)c2)C(=O)O1 40863539 KFUDNEVMRUDUBU-JUALLIRVSA-N 412.885 4.300 0 1 HIAF COc1cccc(NC(=O)Nc2cc(-c3ccc4[nH]ncc4c3)cc3c2CNC3=O)c1 45228571 UAWLDFPCYXVUBB-UHFFFAOYSA-N 413.437 4.126 0 1 HIAF CN(Cc1nc2cccc(CCCN3CCCC3)c2[nH]1)[C@H]1CCCc2cccnc21 45302878 JFCUMHNRFWTSSD-QFIPXVFZSA-N 403.574 4.496 0 1 HIAF CCOC(=O)Cc1nnc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)o1 73165576 ODQMNOLOACRINW-GOSISDBHSA-N 410.861 4.184 0 1 HIAF C[C@H]1[C@H](N2C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C2=O)C[C@@H]2C[C@H]1C2(C)C 101678159 SHIWYZPUXXEVIX-AETAKHFUSA-N 402.922 4.134 0 1 HIAF O=C(NCCc1ccc(O)cc1)c1cc(C(=O)O)c2cc(-c3cccs3)ccc2n1 103233044 XRMAEPRYVMTQOF-UHFFFAOYSA-N 418.474 4.340 0 1 HIAF O=C(Cc1ccc(F)cc1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 115650800 QJVBXBQBZZZSRJ-DEOSSOPVSA-N 420.871 4.221 0 1 HIAF O=C(Nc1ccccn1)Nc1cccc2c1[C@H]1CC3(CCN1C2=O)SCCS3 116941744 VYIRYOGIKCRYCM-OAHLLOKOSA-N 412.540 4.193 0 1 HIAF O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CC[C@@H](O)C1 145684410 LXUSSEXNMUCOQU-MJGOQNOKSA-N 422.506 4.209 0 1 HIAF COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169694940 JVBFQJWVXHSZFN-RBUKOAKNSA-N 411.523 4.306 0 1 HIAF O=C(NCc1ccccc1-c1ccsc1)c1nc[nH]c1C(=O)Nc1ccc(F)cc1 299831831 ZQKFEYJBYSCNAA-UHFFFAOYSA-N 420.469 4.460 0 1 HIAF NC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)n(-c2ccccc2)n1 299863745 PVGNCBFVZCAKID-UHFFFAOYSA-N 404.470 4.059 0 1 HIAF O[C@H](c1ccc(Br)cc1)c1nc2ccc(Br)c(F)c2[nH]1 586997044 LWBCWJHBNRUKJD-CYBMUJFWSA-N 400.045 4.309 0 1 HIAF Clc1ncc2nc(Cc3csc(-c4ccc(Br)s4)n3)nc-2[nH]1 587017421 LRAZFYYXZRYNJH-UHFFFAOYSA-N 412.725 4.496 0 1 HIAF Cc1c(Br)cnc2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc12 587019606 QSXAKCMSXLSUOO-UHFFFAOYSA-N 424.324 4.423 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Cl)ncnc2[nH]1)c1cccc(Cl)c1 587070392 GPHPRZXHXVDRES-LBPRGKRZSA-N 408.289 4.468 0 1 HIAF CCCc1nc(-c2nc3c(Br)nccc3[nH]2)nn1-c1ccccc1F 587157243 YKYOQKRIFPOEKC-UHFFFAOYSA-N 401.243 4.060 0 1 HIAF O=C(N[C@H](c1ccccc1)c1nc2c(Br)ccnc2[nH]1)c1ccccc1 587217802 GFVBYBOUZDKEKG-MRXNPFEDSA-N 407.271 4.240 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1coc4ccc(Br)cc4c1=O)[C@@H](C2)C3=O 587418993 QWXBTNOMGGICKZ-RNODOKPDSA-N 413.223 4.053 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(F)(F)C(=O)OCC)n1C)CC2=O 587462082 PCWYULBOEIBVNU-NRFANRHFSA-N 421.440 4.219 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1-n1cccn1 587558114 QCHXXRQHVRTJDF-CVDCTZTESA-N 402.381 4.420 0 1 HIAF O=C(O)CC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568091 CRLWYTSTYRJGEK-REWPJTCUSA-N 408.381 4.253 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)c3ccccc3O)c2c1 587650342 SISCWTFIWJMZGF-UHFFFAOYSA-N 409.438 4.314 0 1 HIAF COc1cc(OC)cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587656437 KOUWOFWUDRYKAJ-UHFFFAOYSA-N 422.387 4.047 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3ccc(Cl)cc32)N1 587699140 PSCGALNAIXAUFJ-YYSFKGJASA-N 410.670 4.329 0 1 HIAF CC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587710884 UWWOEJQXUKCEPV-CPFSXVBKSA-N 418.175 4.494 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)Nc3ccc(F)cc32)N1 587728375 FHSLLKYAAQGNEC-GIGQVBGESA-N 407.258 4.237 0 1 HIAF COC(=O)N(C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 587739134 FZQDNTWFRFIVBG-SGTLLEGYSA-N 407.283 4.437 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cn3cccn3)c2)N1 587761776 VYQGDCTVZVPAII-RNODOKPDSA-N 400.295 4.457 0 1 HIAF CCOC(=O)Cc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792285 BHBWJECWTCZPAW-ZSEKCTLFSA-N 420.322 4.492 0 1 HIAF CCOC(=O)/C=C/[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792313 BPNZHAKYRNRUAK-CPYFXGCJSA-N 418.306 4.485 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O[C@H](C)C(=O)O)c2)N1 587796235 SNWXJCKKXOTOAS-FKANQGBASA-N 422.294 4.238 0 1 HIAF CCOC(=O)C[C@@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587849391 UBJHCAFMGFWWMO-VOJFVSQTSA-N 412.324 4.381 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)sc3c2CCOC3)N1 587857301 ZNRJISORBBOTSU-YYSFKGJASA-N 411.340 4.102 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2c(=O)n1C 587860486 YIDWAFFMEVZPMI-UHFFFAOYSA-N 415.280 4.492 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1csc(-c2cccc(N)c2)n1 961326869 SHIMPCBMHUIJLA-JOCHJYFZSA-N 409.555 4.385 0 1 HIAF COc1ccc(Nc2ncnc3c2[C@H](c2ccc(O)cc2)c2c(n[nH]c2C)O3)cc1 1772572427 YABMJYOHSDKCFI-GOSISDBHSA-N 401.426 4.252 0 1 HIAF COc1ccc2c(c1)CC[C@@H](Cc1cc[n+](Cc3cccc(F)c3)cc1C(C)=O)C2=O 1857536908 ISOJSTQQWFZFEQ-NRFANRHFSA-N 418.488 4.361 0 1 HIAF Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)ccnc1-c1nc(O)c2sccc2n1 1857586821 AESYQTVRBHFCEN-UHFFFAOYSA-N 422.432 4.182 0 1 HIAF CCN(CC)C(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCc3cccnc3)c(C)c2[C@H]1O 2356310725 FIDZKKFSCPKGJD-GQOCTPOGSA-N 410.558 4.378 0 1 HIAF CC1=C(CC[C@@](C)(O)C=CCC(=CC[C@@H]2OC(=O)C=C2CO)CO)C(C)(C)CCC1 2356421190 BTSJKOQHESKBDD-DHLKQENFSA-N 418.574 4.143 0 1 HIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(OCC)cc1 4152674 MHPCHNJJIKSGSP-GMAHTHKFSA-N 410.514 4.492 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)oc(=O)c2-c2ccncc2)cc1 13581334 GUMHESOLEAJFOD-UHFFFAOYSA-N 403.459 4.439 0 1 HIAF O=C1NC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1 13983515 PKXHFVKACNEDII-QGZVFWFLSA-N 418.337 4.449 0 1 HIAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(CCN3CCOCC3)C[C@H]21 22453517 OQOGMEFNRHFVDB-BXWFABGCSA-N 421.507 4.117 0 1 HIAF O=C(O)c1cc(CN2CCc3cc(-c4ccccc4)ccc3C2)c2ccccn2c1=O 66066454 GQPRUNWFAANHII-UHFFFAOYSA-N 410.473 4.223 0 1 HIAF C[C@@]1([C@@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O 72177817 NULRLJVQRLNULH-YOEHRIQHSA-N 400.258 4.273 0 1 HIAF CC(=O)Nc1ccccc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1 73294779 UVRSNTWWFLTVDB-UHFFFAOYSA-N 419.529 4.303 0 1 HIAF c1cn2c(-c3ccc4[nH]ccc4c3)cnc(Nc3ccc(N4CCOCC4)cc3)c2n1 73313095 FWAHUOXSSGQNPK-UHFFFAOYSA-N 410.481 4.458 0 1 HIAF Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)NCCC2=CCCCC2)C(C)C)co1 82069994 LFSPZWBLTKUWAR-NRFANRHFSA-N 409.530 4.411 0 1 HIAF O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 84713695 OULRKKBJQGZFKL-HNNXBMFYSA-N 411.377 4.017 0 1 HIAF NS(=O)(=O)c1cccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)c1 95587207 IEJQTMUBLSCUGN-UHFFFAOYSA-N 410.886 4.341 0 1 HIAF CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc2cc(Oc3nc4cccnc4s3)ccc2o1 95597153 WPGBXAGVMGVJEH-HOTGVXAUSA-N 420.494 4.035 0 1 HIAF CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CCCC2 103258550 LPZCEPBYWPEPCI-SFHVURJKSA-N 416.583 4.354 0 1 HIAF C[C@@H]([C@@H]1C[C@@H]1C(=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@]12C 299848573 SPBCVLSZAPVLJN-IPXSPEQOSA-N 404.591 4.334 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(C)c(Br)cnc2[nH]1 586917685 UQBTWBZPUBLQCL-ORAYPTAESA-N 400.276 4.245 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(OC(C)C)cc2[nH]1 586934958 DSNAVHFXIHOGAB-SFHVURJKSA-N 419.572 4.123 0 1 HIAF Cc1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075123 BXVKZBHOBMPRHN-UHFFFAOYSA-N 407.905 4.210 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4nc(Cl)c[nH]c-4n3)cc2)cc1F 587147908 URILOQKYTUCLCP-UHFFFAOYSA-N 409.852 4.105 0 1 HIAF COc1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 587238571 DJZINIIBJMRAMM-OIAISFKWSA-N 401.507 4.127 0 1 HIAF O=C(c1cc(F)c(Cl)cc1F)c1c(CO)oc2cc(Br)cnc12 587276439 PDVDFZFEDPNHKM-UHFFFAOYSA-N 402.578 4.245 0 1 HIAF O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587351617 KISDRTGCWAIGTH-QPPBQGQZSA-N 406.409 4.346 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587444530 UHDBBFJGFQLZRZ-UQBPGWFLSA-N 402.446 4.404 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Br)cc(C)cc21 587460107 ROTDYICCLCYBTA-FQEVSTJZSA-N 416.271 4.228 0 1 HIAF CCOC(=O)/C(=C/N(C)C)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514276 WJPOZTIFOFNFKY-XFVSTGHKSA-N 419.521 4.435 0 1 HIAF CCOC(=O)[C@H](C1CCCC1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598337 TXFGIDAXDQRUOA-ROKPMTFOSA-N 410.466 4.482 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cccnc2Cl)N1 587708017 XKXDJHRJDATUMJ-IJUCUGQKSA-N 424.745 4.490 0 1 HIAF CCn1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587708919 FZQOTSFIOKPBIU-VFZGTOFNSA-N 406.221 4.145 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587737060 WAUHQTWJPZMFGP-WLRWDXFRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)nc2F)N1 587738117 KEHHAZSWWOZJPN-ZMZPIMSZSA-N 408.290 4.346 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2ccccc2N)N1 587746563 HBVBVBPWVYWZRH-YEJXKQKISA-N 412.306 4.392 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2cccnc2)N1 587756487 RPPLIGIQFHSSCX-ZUOKHONESA-N 400.295 4.457 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587796760 VCUBIJHLKZRSHC-ZKTNFTSUSA-N 422.294 4.152 0 1 HIAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)O 587800991 IIPHAEKPCVAFRP-YPMLDQLKSA-N 408.267 4.309 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587807309 MSIWQDSOMXFZAF-APBUJDDRSA-N 408.267 4.146 0 1 HIAF COc1ccc2c(c1)C[C@H](c1nc3cc(Br)cc(C(=O)O)c3[nH]1)CC2 587934672 MEMFFZZQWBTDPL-LLVKDONJSA-N 401.260 4.305 0 1 HIAF Cc1nc(N)sc1[C@@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961774304 GHDVLBWPEMBYRZ-JOCHJYFZSA-N 414.575 4.449 0 1 HIAF c1ccc(CN2C[C@@H]3OC[C@H](C2)[C@@]32c3ccsc3CCN2Cc2ccco2)cc1 962703658 CTRFWDJSJPLIFM-WDJPJFJCSA-N 406.551 4.126 0 1 HIAF CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@]12c1ccsc1CCN2C(N)=O 962703700 FFSPDYJVUIBVHS-LBUQITIBSA-N 419.591 4.470 0 1 HIAF CCN(CC)CCOc1ccc([C@@H]2NCCc3cnc4c(OC)cccc4c32)cc1 963060785 WYQPOXCZDIFPQW-DEOSSOPVSA-N 405.542 4.199 0 1 HIAF CC(C)(C)OC(=O)NC[C@@]1(c2ccc(O)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963104123 HERVEJZQCSXPKL-NTKDMRAZSA-N 412.505 4.320 0 1 HIAF FC(F)(F)c1ccc(CN[C@H]2CC[C@@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772603307 GHQXIPCTZVATFK-FZNQNYSPSA-N 414.435 4.440 0 1 HIAF COc1cc2oc(-c3cccc(C(=O)Nc4ccccc4)c3)cc(=O)c2c(O)c1OC 1857541511 PPMGTOQUSSBBST-UHFFFAOYSA-N 417.417 4.435 0 1 HIAF CN1CN(c2ccccc2)C2(CCN(CCc3csc4ccccc34)CC2)C1=O 1640544 PVBDZWYNCUYEBK-UHFFFAOYSA-N 405.567 4.215 0 1 HIAF O=c1c(C(c2ccco2)c2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12 6576212 ZCWKVFZBZDIUDD-UHFFFAOYSA-N 402.358 4.084 0 1 HIAF Cc1nc([C@H](C)NC2CCN(c3cccc(NC(=O)c4ccncc4)c3)CC2)cs1 12080211 ZUGMRVGVDVNZNC-INIZCTEOSA-N 421.570 4.418 0 1 HIAF O=C(O)C[C@H](O)C[C@@H](O)COc1c(Cl)cc(Cl)cc1CC1CCCCC1 26747324 JFBQKTMQLRVNBD-HZPDHXFCSA-N 405.318 4.082 0 1 HIAF COc1cc2c(cc1OC)S[C@@H](C(=O)CCc1cc[n+](Cc3ccccc3)cc1)C2 28398078 UBOLSYAFJBJJBX-RUZDIDTESA-N 420.554 4.258 0 1 HIAF N[C@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1cccc(C(F)(F)F)c1 34630436 OSHTXJHXSUZMOX-HNNXBMFYSA-N 418.448 4.082 0 1 HIAF O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCCC3)[nH]c2c1 36351935 UWZAIHJEZDRIJB-UHFFFAOYSA-N 404.392 4.199 0 1 HIAF in-vivo COCCN(C(=O)c1cc(C)nn1C)[C@@H]1c2ccccc2CC[C@H]1c1ccsc1 40862816 YYWXHWBVIVERGF-RBBKRZOGSA-N 409.555 4.350 0 1 HIAF Cc1ccc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cn1 40891772 MQJXZZFGKUKOGM-UHFFFAOYSA-N 406.511 4.109 0 1 HIAF COc1cc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)ccn1 45300730 NYERXTAQHGNTEO-UHFFFAOYSA-N 409.559 4.217 0 1 HIAF O=C(Nc1ccccc1F)NC1CCN(c2ccnc(Nc3ccc(F)cc3)n2)CC1 45324220 LHGJABRTEHFORP-UHFFFAOYSA-N 424.455 4.289 0 1 HIAF CC[C@H](NC(=O)c1c([S@](C)=O)c(-c2cc[nH]n2)nc2ccccc12)c1ccccc1 66113362 FNHAPQPIDKBLEM-NOVUIFNWSA-N 418.522 4.243 0 1 HIAF Cc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCN2CCCCC2)o1 82178496 UCGBTFSSXLBONG-UHFFFAOYSA-N 416.529 4.493 0 1 HIAF CCCc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCOC 82189868 RZCVYJNMHJESPA-UHFFFAOYSA-N 408.333 4.387 0 1 HIAF COc1nc2ccccc2cc1CN(Cc1ccc(C)cc1)C[C@@H](O)CN1CCCC1 96939092 FFSMZNJZOBQPFX-DEOSSOPVSA-N 419.569 4.011 0 1 HIAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](Oc2cccc(C(=O)O)c2)CC1 101110684 MURDWSCWZJZGCX-BISYHVLOSA-N 412.530 4.343 0 1 HIAF O[C@@H]1CCCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 146401857 RTUHGNFNPBJYAU-LJQANCHMSA-N 408.571 4.031 0 1 HIAF CC(C)CN(Cc1ccc(-c2cncnc2)s1)S(=O)(=O)Cc1ccccc1 169341937 BSAZYIFDECYVHY-UHFFFAOYSA-N 401.557 4.193 0 1 HIAF COC(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587024994 DLGGRSGQQCACNI-IPELMVKDSA-N 423.538 4.486 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(COc3ccc(Cl)c(CC)c3)[nH]c2c1 587052702 IRQUNFFDLRCKEJ-UHFFFAOYSA-N 421.950 4.436 0 1 HIAF COC(=O)c1cccc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c12 587144027 HIPNCWHTSAZEGB-UHFFFAOYSA-N 404.397 4.395 0 1 HIAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587193767 GXCQQFOWYZWVQZ-LJQANCHMSA-N 422.529 4.311 0 1 HIAF CCOC(=O)Cc1c(-c2ccc(OC)c(OC)c2OC)nc2cccc3c2c1CC3 587214078 LXUROZXDSMLUFF-UHFFFAOYSA-N 407.466 4.132 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350191 RJHXGDSYCJHEKW-XUZZJYLKSA-N 406.409 4.349 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)nc1Br)O2 587382223 KOTABRIHLNZKON-GFCCVEGCSA-N 401.182 4.460 0 1 HIAF CCOC(=O)[C@H](C)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575163 CZSFDKKOMVUBKW-BANJIEJESA-N 407.422 4.021 0 1 HIAF CCOC(=O)[C@H](Cc1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598346 TYUQSXKZYZBBDS-MEKIYTOJSA-N 418.445 4.144 0 1 HIAF CCOc1ccc(-c2nn(C(=O)NC3CCCC3)c(=O)c3ccccc23)cc1OCC 587670413 XMNLFVYIWZGWSD-UHFFFAOYSA-N 421.497 4.361 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(F)(F)C(F)(F)F)N1 587708821 DYMVDBFTEAAPML-WPPNPWJKSA-N 418.175 4.494 0 1 HIAF CCn1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C(F)(F)F 587713931 OMUZRHWFJGGBNU-RMLUDKJBSA-N 406.221 4.447 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCNCC2)N1 587798722 VPWJUIXBDPPPAO-LHSJRXKWSA-N 403.339 4.366 0 1 HIAF COC(=O)CC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807232 LMQODVFXOAETFD-RNODOKPDSA-N 406.295 4.319 0 1 HIAF COC(=O)C1C[C@@H]2CCC[C@H](C1)C21N[C@H](C)Cc2ccc(F)c(Br)c21 587811306 WMNCIAJPSTVPDH-BZDZRWCVSA-N 410.327 4.317 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(C[C@H](C)c3cccc(OC)c3)nc2c1 587929452 AXRLGYXCADIXNG-NSHDSACASA-N 403.276 4.467 0 1 HIAF Ic1cnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 587951111 RYNRFNWSLFQOKC-UHFFFAOYSA-N 409.271 4.048 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C(=O)O)[nH]c3cc(OC)cc(OC)c23)N1 962949274 FCJZAGFKLJZPQK-YTEVENLXSA-N 419.481 4.378 0 1 HIAF CC(C)(C)NC(=O)C1CCN(Cc2cc(NC(=O)c3ccc(F)cc3)cs2)CC1 1772633578 BVFKGDGJVDBQAX-UHFFFAOYSA-N 417.550 4.266 0 1 HIAF Oc1ccc(-n2cc(-c3ccc4cc(OC[C@@H]5CCCCO5)ccc4n3)nn2)cc1 1772645284 MZWRVGDSMYGZTM-FQEVSTJZSA-N 402.454 4.136 0 1 HIAF CCCC(=O)c1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2 1857536936 PRCJLOJEVVROEZ-UHFFFAOYSA-N 422.501 4.368 0 1 HIAF Cc1ccc(-n2cc(OCc3cn(Cc4ccccc4Br)nn3)cn2)cc1 1857574176 JLZAMLDBMSZZIS-UHFFFAOYSA-N 424.302 4.162 0 1 HIAF N[C@@H]1CCC[C@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc(C(F)(F)F)c4)c3c2)C1 1857636402 OUBOVCLEIUTKRN-GXTWGEPZSA-N 417.435 4.203 0 1 HIAF OCC[C@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1 1857748386 KNDFCMIZUQCXIF-QWJQGLKASA-N 412.618 4.099 0 1 HIAF CC[C@H]1Cc2cc(OCc3ccccc3)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857772459 WMNLMOUEXUARFU-KRWDZBQOSA-N 405.450 4.308 0 1 HIAF CC1=C[C@H](CN2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 2356301230 ZQKYHLKIMCNCAL-HBMCJLEFSA-N 403.611 4.469 0 1 HIAF O=C(N[C@@H](c1ccccc1)[C@@H]1C[C@H]1C(=O)NCc1ccccn1)OCc1ccccc1 6080096 ARXJZKXLEMUKHA-ZLNRFVROSA-N 415.493 4.002 0 3 HIAF CN(C)C(=O)c1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)cc4)n3c2)c1 61906582 VGAASJQYIPNFPO-UHFFFAOYSA-N 402.429 4.078 0 3 HIAF O=C(Nc1ccc(N2C(=O)C[C@H](c3ccccc3)C2=O)c(Cl)c1)c1ccccn1 100496826 UYGDCIXFYIWDMR-MRXNPFEDSA-N 405.841 4.034 0 3 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4051553 KCCBCRWZISEWHW-CFZKCAPKSA-N 416.521 4.455 0 1 HIAF CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC)c(C(=O)OC)[nH]c1=S 13977433 BCBMJFOXVMGZGS-NSHDSACASA-N 403.287 4.425 0 1 HIAF CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 18282691 BPGLIFATZFHPCG-CLKFMRDTSA-N 418.921 4.093 0 1 HIAF C[C@@H]1CCC[C@@H](c2cc(-c3ccc(N4CCOCC4)nc3)nc3ncnc(N)c23)[C@@H]1C 27984784 LRVYIKQEJRCWSM-JFIYKMOQSA-N 418.545 4.045 0 1 HIAF O=C1[C@@H](c2ccc(F)cc2)[C@H](c2ccc(O)cc2)N1CC[C@H](O)c1ccc(F)cc1 28707546 HVGDTPPMOCOEIL-VABKMULXSA-N 409.432 4.461 0 1 HIAF CN(Cc1nc2ccccc2n1CC[C@H]1CCCCN1)[C@@H]1CCCc2cccnc21 34821226 CEZDJMFFDIZREC-NFBKMPQASA-N 403.574 4.473 0 1 HIAF CC(C)n1cnc2c(Nc3cccc(-c4ccccn4)c3)nc(NC(C)(C)CO)nc21 40391297 YQCQJWLNTMUOBC-UHFFFAOYSA-N 417.517 4.396 0 1 HIAF CCn1c2ccncc2c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 40876399 GEFYUDOMODVUJA-UHFFFAOYSA-N 405.454 4.488 0 1 HIAF COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1 40880886 ITRKTGHAVVSQOD-UHFFFAOYSA-N 402.454 4.160 0 1 HIAF N[C@H]1Cn2c(nc3ccc(OC(F)(F)F)cc32)C[C@@H]1c1cc(F)c(F)cc1F 43017156 VTJBZEAKAWLWGP-YGRLFVJLSA-N 401.310 4.019 0 1 HIAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(OC(F)(F)F)c3)c2)cc1 84724371 RAFGFIDLUQSHFE-UHFFFAOYSA-N 408.401 4.300 0 1 HIAF CC(=O)c1ccc(C(=O)N2CCOc3ccc(-c4ccc5cn[nH]c5c4)cc3C2)cc1 95586474 HUXSRXJQKCUORH-UHFFFAOYSA-N 411.461 4.467 0 1 HIAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)c2c1 164806567 DNDAJESIGFKJOP-UHFFFAOYSA-N 404.857 4.163 0 1 HIAF C[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(N3CCCC3)nc2n1 169704100 HNXFBBUXHDXTJA-QGZVFWFLSA-N 404.518 4.158 0 1 HIAF COc1cc(O)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204146563 ORUNGMOTBJGTPU-UHFFFAOYSA-N 401.470 4.293 0 1 HIAF COc1ccc(C2(NC(=O)Nc3cc4[nH]nc(-c5ccnc(C)c5)c4cn3)CC2)cc1 261157462 QFAHIOYPVKNLEZ-UHFFFAOYSA-N 414.469 4.148 0 1 HIAF [O-][n+]1ccccc1SCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586969778 OFNALHAKKNYFSE-UHFFFAOYSA-N 404.211 4.270 0 1 HIAF Cc1nc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2cc1Br 587041786 FIZOYFGWZKUSSV-ZDUSSCGKSA-N 423.723 4.338 0 1 HIAF Cc1ccc2c3c(cc(C[C@@]4(O)C(=O)Nc5ccccc54)nc13)-c1ccccc1C2=O 587098244 WFKVRZYMBZJNPQ-SANMLTNESA-N 406.441 4.137 0 1 HIAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)cc(F)c2[nH]1 587181876 GPYSKHUYBVDVGW-ZETCQYMHSA-N 404.614 4.074 0 1 HIAF COc1ccc([C@]2(CCn3cncn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517190 IRFPBKZDDAASSA-DEOSSOPVSA-N 403.482 4.117 0 1 HIAF CN(C)CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587568396 CGDRDJZEPXETGD-XUZZJYLKSA-N 405.450 4.036 0 1 HIAF CN(C)CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587570861 JPVJRKVHJKGMMT-URXFXBBRSA-N 405.450 4.036 0 1 HIAF COc1ccc2c(c1)OCCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613373 XPGQHRAUILCTRT-XUZZJYLKSA-N 404.418 4.431 0 1 HIAF O=C(O)Cc1c(-c2ccc(Cl)cn2)[nH]c2c1c(Br)cc1n[nH]cc12 587621936 PVXYYTAWDCMNKP-UHFFFAOYSA-N 405.639 4.149 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)(F)Cl)c2c1 587648662 DHNBDWRJQZXXMR-UHFFFAOYSA-N 401.793 4.392 0 1 HIAF COc1cccc(NCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587657101 UVCOGZNHCLUWTP-UHFFFAOYSA-N 421.403 4.103 0 1 HIAF CC(=O)OC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587729179 CETUQCGEHWBIMP-JEOXALJRSA-N 410.258 4.068 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2cccc(N)c2)N1 587748850 YXZZAQSDJKMIPX-YEJXKQKISA-N 412.306 4.392 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N(C)c2ccccc2)N1 587754816 LCTCCTZEDGCZNV-RBZFPXEDSA-N 405.311 4.391 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2ccnc2)(c2ccccc2)N1 587757951 WHOUMXNYWNMHCS-JLTOFOAXSA-N 400.295 4.263 0 1 HIAF CCOC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587794673 PJAFHXBGXANQTH-FKIZINRSSA-N 422.294 4.154 0 1 HIAF COc1ccc(OC(C)(C)C)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 587935958 HRRQVJLZBHCPEC-UHFFFAOYSA-N 422.367 4.178 0 1 HIAF CCOC(=O)[C@]1(C2CCCC2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962637648 OSOANMZRTFDLDT-OZXSUGGESA-N 404.554 4.382 0 1 HIAF CCOC(=O)c1ccccc1[C@@H]1CCC[C@@]2(C1)NCCc1ccc(C(=O)N(C)C)cc12 962926655 SUISORRPIPROSN-IBVKSMDESA-N 420.553 4.264 0 1 HIAF Cc1ccn2c(C(=O)NCCOc3ccc(Br)cc3)c(C3CC3)nc2c1 1857577412 JBZAPNSPPQGISO-UHFFFAOYSA-N 414.303 4.091 0 1 HIAF O=C(Nc1cccc(F)c1)c1cccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)c1 1857600209 CQCVSXPWBFTCJA-QGOAFFKASA-N 400.409 4.425 0 1 HIAF COC(=CC(=O)N1C(=O)C=C[C@@H]1C)CC(=CCl)CNC(=O)CCCCC(C)(C)C 2356335327 XXFDGELVIZKSQK-INIZCTEOSA-N 424.969 4.066 0 1 HIAF CC(=O)O[C@@H]1C=C(C)[C@H](O)CC=C(C)C[C@@H](OC(=O)c2ccccc2)[C@H]1C(C)C 2356407025 NJSSIGJNKWSAJR-SSGKUCQKSA-N 400.515 4.463 0 1 HIAF Cc1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 2921738 CXITWSLMJOBQHH-KBPBESRZSA-N 413.518 4.072 0 1 HIAF CCN1c2ncc(CSc3cncnc3)cc2C(=O)Nc2c(C)cc(Cl)nc21 3611242 UWBOVNUZRAIRLM-UHFFFAOYSA-N 412.906 4.244 0 1 HIAF O=C(O)Cc1ccccc1OCC[C@H]1Oc2ccccc2N(Cc2ccccc2)C1=O 12358464 ZRKXVLNNHYSNNI-HSZRJFAPSA-N 417.461 4.077 0 1 HIAF O=C(O)CCc1cc(CCCS(=O)(=O)c2ccccc2)cc(Cc2cccnc2)c1 13765941 PMUJFGJBZSERNP-UHFFFAOYSA-N 423.534 4.096 0 1 HIAF O=c1nc(SCc2ccccc2)n(Cc2cccs2)cc1Cc1cncnc1 26569155 WJAWKICOKTUQDV-UHFFFAOYSA-N 406.536 4.026 0 1 HIAF O=C(Nc1ccc(Cl)cc1)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 27425533 LJCDYOZXZSZCAO-FQEVSTJZSA-N 404.857 4.277 0 1 HIAF Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(C(F)(F)F)cc2)o1 28571630 OJYUHOMVZDAJEB-UHFFFAOYSA-N 415.379 4.240 0 1 HIAF O=S(=O)(c1ccccc1)[C@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 28638220 CFDCTBOVDXIEET-AWRGLXIESA-N 420.486 4.022 0 1 HIAF COC(=O)/C=C/c1ccc(C[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 45194687 ADUGIAIXXZLOTM-QPRPNDIKSA-N 407.432 4.146 0 1 HIAF CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N3CCCC[C@@H]3CCO)nc21 70719228 HZYRSHPLESLFPZ-QGZVFWFLSA-N 416.957 4.213 0 1 HIAF COc1cccc(CNCc2coc(-c3ccc(Br)cc3)n2)c1OC 72186378 CMTCLRQSPILNIT-UHFFFAOYSA-N 403.276 4.411 0 1 HIAF CCOP(=O)(OCC)C1=NC=CC=C[C@H]1n1c(-c2ccccc2)nn(CC)c1=O 73371595 CYTHGQYKPZMCAD-QGZVFWFLSA-N 416.418 4.021 0 1 HIAF O=C(Nc1ccc(-c2nnc(NCCCCN3CCCC3)o2)cc1)c1ccccc1F 84618133 FUWJHMHDKQKGCZ-UHFFFAOYSA-N 423.492 4.416 0 1 HIAF COc1cc(C(=O)c2sc(-c3ccc(Cl)cc3)nc2N)cc(OC)c1OC 84668589 CFGUROGYVDGCDN-UHFFFAOYSA-N 404.875 4.303 0 1 HIAF COc1cc2ncnc(N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)c2cc1OC 96168421 XAIODTXFYVURIH-LJQANCHMSA-N 419.403 4.244 0 1 HIAF O=C(O)[C@H]1CCCN(CCO/C=C/c2ccc(F)cc2Cc2ccccc2F)C1 96923645 KTUNXHGQFWELDZ-DLENHJPASA-N 401.453 4.340 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@]12C 98084507 JPOAJVXSZNVFCE-CDTHWJRJSA-N 406.586 4.282 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(Br)c2)n1 142052249 XJBMGMZMWLYKPO-SWLSCSKDSA-N 405.296 4.393 0 1 HIAF CC1(C)OC(=O)N(c2ccc(-n3c(=O)[nH]c4ccncc43)cc2)[C@H]1c1ccccc1 147565660 KJPIBFKMFHWUMZ-FQEVSTJZSA-N 400.438 4.190 0 1 HIAF CC[C@H](C)C(=O)O[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 169303673 PCZOHLXUXFIOCF-BBFRYFNZSA-N 404.547 4.196 0 1 HIAF O=C(Cn1cc(-c2ccc(Cl)c(Cl)c2)nn1)NC12CC3CC(CC(C3)C1)C2 169310933 DBJUWRUYMKWISW-UHFFFAOYSA-N 405.329 4.337 0 1 HIAF CCOC(=O)c1ccc2c(c1)nc(-c1ccc(C)cc1)n2CCCN1CCCC1=O 169353527 YSXNVYMJKJWSKL-UHFFFAOYSA-N 405.498 4.201 0 1 HIAF C1=N\CCOCC/N=C\c2ccccc2OCc2cccc(n2)COc2ccccc2/1 169486755 DSHVOUCGIOLILK-OTMNIUQESA-N 415.493 4.108 0 1 HIAF O=S(=O)(c1cccc(Cl)c1)c1cnc2ccc(Cl)cc2c1N1CCOCC1 201541751 XLDDQKHHEQIRTJ-UHFFFAOYSA-N 423.321 4.211 0 1 HIAF Cc1oc(-c2ccccc2)nc1Cc1ccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 253666436 BFONRZDNBBIVBS-DQMBHMMVSA-N 407.466 4.247 0 1 HIAF CCOc1cc(/C=C\c2nc3ccc(CO)cc3[nH]2)cc(Br)c1OC 586978467 TYTPCDHWQCNZRI-ALCCZGGFSA-N 403.276 4.395 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(Br)nc2[nH]1 587041360 BKURORTVWZJSPZ-LLVKDONJSA-N 409.696 4.029 0 1 HIAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(F)cnc3[nH]2)c1C 587165829 LNSXUCSAHHFSAN-UHFFFAOYSA-N 410.424 4.432 0 1 HIAF Nc1ccc(-c2ccc3nc([C@@H](N)Cc4c[nH]c5ccc(F)cc45)[nH]c3c2)cc1N 587174117 FFAMDYNLXGXHTM-IBGZPJMESA-N 400.461 4.257 0 1 HIAF N[C@@H](N=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587183254 BVQSCZIDKBKOCI-RRGWEWPQSA-N 404.211 4.062 0 1 HIAF O=C(c1cc(C(F)(F)F)ccc1F)c1c(CO)oc2cc(Br)cnc12 587277097 ZSMUIBYOBHPGHY-UHFFFAOYSA-N 418.140 4.472 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328129 AXDJMOLDRZTZIR-ZJSXRUAMSA-N 424.399 4.488 0 1 HIAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331371 BAASRZBNAZBCEI-JQRIVJTKSA-N 421.468 4.402 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587338727 RHGDFRCQIPJHIX-MSYCTHLASA-N 413.445 4.316 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(O[C@@H](C)C(=O)O)c(Cl)c1)O2 587375221 KNSHHNJNTWXNII-XXFAHNHDSA-N 410.253 4.442 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CC[C@H](NC(=O)OCc3ccccc3)CC1)O2 587386078 HLAAYFGHAXKJJL-JBYIUTFZSA-N 408.498 4.396 0 1 HIAF COC(=O)COc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587400311 MQQYGWSQZVEWKO-RUZDIDTESA-N 417.461 4.038 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587442365 IMHYRELOUBDFRB-YADARESESA-N 407.466 4.004 0 1 HIAF CCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587586778 JQPSKJDUIVIXRS-RDPSFJRHSA-N 401.418 4.006 0 1 HIAF COC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592281 JSCQCQLZSZDXKU-IJHUGTEESA-N 404.418 4.058 0 1 HIAF C[C@]1(c2cccc(N3CCOCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595680 PWVTWNBBDHMAOH-WIOPSUGQSA-N 417.461 4.106 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2ccnc2)(c2ccccc2)N1 587757953 WHOUMXNYWNMHCS-VBKZILBWSA-N 400.295 4.263 0 1 HIAF CCCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587765656 CZULSJTVJXAORH-FKIZINRSSA-N 403.295 4.123 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(Cc3cccnc3)CC2)N1 587770232 ROHRJEGMXDKMMA-SZNDQCEHSA-N 418.354 4.471 0 1 HIAF COc1ccc(OC)c2c1CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587810541 SWTZAVWOOVKJBL-BIBXISHDSA-N 406.295 4.329 0 1 HIAF O=C(O)c1cccc2c1CCN[C@@]2(C[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(Cl)c1 963117365 DTZSERWZDLYLFZ-AQKDONEWSA-N 413.901 4.319 0 1 HIAF C[C@H]1CN(C(=O)CC(C)(C)C)CCN1C(=S)Nc1ccc(C(F)(F)F)cc1 1857565332 CALQXJCLNXBHRN-ZDUSSCGKSA-N 401.498 4.371 0 1 HIAF COc1ccc2c(c1)CC[C@@H](C[C@@H]1C=CN(Cc3ccccc3C)C=C1C(N)=O)C2=O 1857633345 TUALDOHFKJXKNG-PMACEKPBSA-N 416.521 4.154 0 1 HIAF O=C1O[C@@H](CN2CCN(c3ccccc3)CC2)CC1(c1ccccc1)c1ccccc1 13651092 STSDARXGGAEJHY-RUZDIDTESA-N 412.533 4.110 0 1 HIAF O[C@@H](CNCc1ccccc1OCc1ccncc1)c1cc(Br)cs1 14966917 PLWAYQZVPNTNGS-KRWDZBQOSA-N 419.344 4.308 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(CCN1CCN(c3ccccc3C)CC1)OCC2 27882393 FFEGREKIMFUPKY-VWLOTQADSA-N 410.558 4.012 0 1 HIAF CC(C)N(CC[C@](CCN1CCCCC1)(C(N)=O)c1cccc(Cl)c1)C(C)C 40465469 UZNPKUNGOXYDTE-QHCPKHFHSA-N 408.030 4.448 0 1 HIAF CNCCNc1ccc2c3c(cccc13)C(=O)N(c1cccc(Br)c1)C2=O 43079716 UPKYAMHPLCNFPR-UHFFFAOYSA-N 424.298 4.034 0 1 HIAF OCCCc1n[nH]c2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12 66078677 GJPGNFNVUJLBQZ-UHFFFAOYSA-N 420.860 4.483 0 1 HIAF CC(C)(C)CCNCc1ccc(-c2cccnc2S(=O)(=O)N2CCCC2)cc1 72114553 OZDYNHVVZWVNHC-UHFFFAOYSA-N 401.576 4.059 0 1 HIAF CCCCOc1c(OC)ccc2cc(C(=O)NC[C@H](F)c3ccccc3)c(=O)[nH]c12 72178966 FNTMGRNAIKUGDA-SFHVURJKSA-N 412.461 4.156 0 1 HIAF COc1cc(OC)c(-c2ccnn2C)c(O)c1C(=O)c1cc(Cl)ccc1Cl 95598231 HBIAWBHVVPYVRH-UHFFFAOYSA-N 407.253 4.348 0 1 HIAF CCOc1ccc([C@@H]2OC(=S)N(C(=O)Nc3ccccc3OCC)[C@@H]2C)cn1 103213733 XFQPQIFQVCTSFZ-FZKQIMNGSA-N 401.488 4.158 0 1 HIAF Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCCCC3)cc21 115951108 LNFQZISFKWDTLB-UHFFFAOYSA-N 405.477 4.433 0 1 HIAF CCOc1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1 144170956 SPLJASPZSXDZIT-UHFFFAOYSA-N 405.502 4.046 0 1 HIAF CC(=O)O[C@H]1CC=C(C)[C@@H]2Cc3c(C)coc3/C=C(/C)CC(=O)[C@H](OC(C)=O)[C@@]12C 144752476 PJVNNUMZLXDJCQ-QXJJNMJCSA-N 414.498 4.343 0 1 HIAF O=C(Cn1cc(-c2ccc(C(F)(F)F)cc2)nn1)NC12CC3CC(CC(C3)C1)C2 169310931 XUKKRHXWBFYFLC-UHFFFAOYSA-N 404.436 4.049 0 1 HIAF Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC[C@H]3CC3(F)F)c12 169686611 IPKJCZLNEQJZPI-SECBINFHSA-N 408.405 4.015 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H]1CCc2ccccc21 299878473 JDJLTCSJXHKDJD-YMIBPACWSA-N 424.585 4.323 0 1 HIAF COc1ccc2nc(CC/C(C)=C/Cc3c(O)c4c(c(C)c3OC)COC4=O)[nH]c2c1 586915575 OCVKAXXXSLNTOE-WLRTZDKTSA-N 422.481 4.386 0 1 HIAF COc1ccc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2c1 586930413 CYYQOOGJMUUXBN-UHFFFAOYSA-N 407.495 4.372 0 1 HIAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586962666 ULNNTGJTZPPKLJ-YFKPBYRVSA-N 405.789 4.046 0 1 HIAF Brc1ccc([C@H](c2nc3cc4c(cc3[nH]2)OCCO4)N2CCCC2)cc1 586983967 BHOFPYFSQOVUID-LJQANCHMSA-N 414.303 4.282 0 1 HIAF COC(=O)c1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1OC 586995886 KOYUCJVPNMQRSL-UHFFFAOYSA-N 419.275 4.435 0 1 HIAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3nc(Br)c[nH]c-3n2)c1 587159576 SJTVEVXPOBGCIW-UHFFFAOYSA-N 409.222 4.212 0 1 HIAF Fc1ncc(Br)cc1-c1nc2cccc(I)c2[nH]1 587177983 KHDNZDLKAYWQLH-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF C[C@H](Oc1ccc(F)cc1F)C(=O)c1c(CO)oc2cc(Br)cnc12 587275966 IOHKFRWYIIGMJY-QMMMGPOBSA-N 412.186 4.011 0 1 HIAF COc1ccc(/C(=C\N(C)C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587571032 KPLQYFPMPBQQTI-UOTAUJSWSA-N 417.461 4.334 0 1 HIAF O=C(O)c1cccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587586550 CQXMSXYKOYIUCR-DENIHFKCSA-N 401.374 4.275 0 1 HIAF COC1=C(Br)[C@@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587686015 VEVPDCLWDCAJOY-AYVTZFPOSA-N 405.105 4.364 0 1 HIAF Cc1cnn(Cc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c1 587759693 MAAJHDJHWXNTRW-HXPMCKFVSA-N 404.283 4.358 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccccc3c2=O)N1 587778893 OPYKZKCHSPWOPY-BIBXISHDSA-N 401.279 4.227 0 1 HIAF COc1cc(OC)c([C@@]2(C)c3ccsc3CCN2Cc2cccn2C)c(OC)c1 962372817 JXNIQTJSUWJGCP-HSZRJFAPSA-N 412.555 4.434 0 1 HIAF CC(=O)C[C@]1(C(F)(F)Br)c2ccsc2CCN1Cc1cccn1C 962402031 YOSFPPXAVQMBSQ-MRXNPFEDSA-N 417.319 4.307 0 1 HIAF Cc1c(O)ccc2c1[C@@](C)(c1ccccc1OCc1ccccc1)N[C@H](C(=O)O)C2 963509379 MUMDPWXZNSGDQA-NBGIEHNGSA-N 403.478 4.142 0 1 HIAF CC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1 1772633977 FPGDCKQWXUIEJX-TZIWHRDSSA-N 422.573 4.159 0 1 HIAF CNC(=O)C(=O)NCCCC/C=C\CCCCCCCCCP(=O)(OC)OC 1857589215 GJIOPZCVVADZFE-CLFYSBASSA-N 418.515 4.182 0 1 HIAF OC[C@H](NCC(c1ccccc1)c1ccccc1)c1ccc(O)c2nc(O)ccc12 1857773209 OGHCQFJWLZZTSH-QFIPXVFZSA-N 400.478 4.101 0 1 HIAF COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC(C)C)c1 1857773278 DXZYVORRTZPJAD-UHFFFAOYSA-N 405.498 4.222 0 1 HIAF O=C(C=Cc1ccccc1)O[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 2356679878 LCPXFIYCSRAKAD-BJKOFHAPSA-N 402.402 4.039 0 1 HIAF COc1ccccc1[C@H]1CN(Cc2cccn2-c2ncccn2)Cc2ccccc2O1 19218528 AHYGEZPVSTYYQM-XMMPIXPASA-N 412.493 4.412 0 1 HIAF Cc1csc2nc([C@H](C)NC(=O)/C=C/c3ccccc3Br)oc(=O)c12 27520516 RBABWPPZJTWHBW-AEZGRPFRSA-N 419.300 4.211 0 1 HIAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc12 28521093 SNJKHGAVJNFFTR-MRXNPFEDSA-N 421.925 4.398 0 1 HIAF O=c1c2ccc(Br)cc2nc2sc(Nc3ccc4c(c3)CCC4)nn12 36382817 GNWHXRIVQBHRBV-UHFFFAOYSA-N 413.300 4.299 0 1 HIAF COc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)cc1 38209620 AZTQLAOTWWMBED-UHFFFAOYSA-N 401.268 4.335 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2C[C@H](c3ccccc3)CC[C@@H]2C1 40656300 ILBCFHDOQNPYQO-FGTMMUONSA-N 413.949 4.071 0 1 HIAF COc1ccc(Nc2nc(NC3CCN(C)CC3)cc(-c3ccc(OC)cc3)n2)cc1 45201591 DUBAMPYPDNJLTO-UHFFFAOYSA-N 419.529 4.411 0 1 HIAF CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2cccc(/C(F)=C/C3CC3)c2)C1=O 64528403 SQRMALBFLFFPQZ-IFNMQTAJSA-N 415.415 4.248 0 1 HIAF CCOc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cc(F)ccc1F 84605251 NMPMGWNERYXWCH-UHFFFAOYSA-N 424.403 4.420 0 1 HIAF COc1ccccc1N1CCN(CCCN2Cc3ccc4ccccc4c3C2=O)CC1 96922216 LSKATQRDPZDEBA-UHFFFAOYSA-N 415.537 4.017 0 1 HIAF COc1cccc(-c2c(-c3ccncc3)nn3c(C4C[C@@H]5CC[C@@H](C4)N5)ccnc23)c1 100095777 QBKVXGRJENYUEM-PMACEKPBSA-N 411.509 4.465 0 1 HIAF OC1C2CC3CC1CC(C2)C3(Cc1ccc(-c2ccccc2)cc1)Cc1nnn[nH]1 103232205 AUSNZWCYYGAPIV-UHFFFAOYSA-N 400.526 4.065 0 1 HIAF Cc1sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c(-c2nc(C3CC3)no2)c1C 147017418 CBNYWKBVPIMUFH-UHFFFAOYSA-N 413.499 4.432 0 1 HIAF Cc1ccn2c(NCc3ccc4c(c3)OCO4)c(-c3cc4ccccc4[nH]c3=O)nc2c1 169327114 JPUTUOPHIAEEPE-UHFFFAOYSA-N 424.460 4.492 0 1 HIAF O=S(=O)(O)c1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137940 SXRDQUSUXZHHHE-UHFFFAOYSA-N 405.632 4.032 0 1 HIAF N[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(F)cc1F 587150744 OSHYGUQMQVWFFM-NSHDSACASA-N 417.051 4.414 0 1 HIAF COc1cc(N)c(I)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 587178488 DHVVBEQPBIHIGH-UHFFFAOYSA-N 419.266 4.304 0 1 HIAF CN(C)S(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587209721 SWMPAPHHSVQFAP-UHFFFAOYSA-N 414.486 4.364 0 1 HIAF CN[C@@H](c1cccnc1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587223600 OGGPZKUOOSXUER-SFHVURJKSA-N 403.324 4.454 0 1 HIAF CCOC(=O)[C@@]1(c2ncccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340475 SXAJVDHQJRZPEY-HYBUGGRVSA-N 421.424 4.052 0 1 HIAF CN(C)/C=C\[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378811 WOQZQZFBGPTDFF-AMZDFFAPSA-N 410.470 4.318 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(-c4cccnc4)ncc31)CC2=O 587491974 VJUZPUIZJSIJDR-DEOSSOPVSA-N 401.466 4.394 0 1 HIAF CC(=O)Nc1ccc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509519 DGGYAHKFRDZHFV-MIFWMJNYSA-N 404.510 4.460 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccco1)[C@@H](O)c1ccco1 587619331 WXXQMOZEGBUSCC-VJBMBRPKSA-N 404.374 4.169 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2Br)N1 587685556 RIQHFBDFLGMKEY-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF C/C(=C\[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587740815 KPZHZQWEORLTCB-FRKGRFLLSA-N 404.327 4.226 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)N1 587767735 KJRVKEDQLUGLGV-BLVKFPJESA-N 413.331 4.349 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccco2)(c2ccco2)N1 587830741 UMBNQVRLZOYEPE-JEOXALJRSA-N 404.235 4.435 0 1 HIAF O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 653866764 RPISYXBMNDONPQ-UHFFFAOYSA-N 417.874 4.040 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2Cl)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962629828 IJJLVZSQMANZNQ-PEBXRYMYSA-N 403.906 4.040 0 1 HIAF CCOC(=O)c1ccc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)c(Cl)c1 962640673 WYSUOVGSVTVFEU-YEJXKQKISA-N 403.906 4.500 0 1 HIAF Cc1cc(Nc2cc(C(C)(C)C)ccn2)nc(-c2ccc(N[C@H]3CCNC3=O)nc2)c1 1772650122 QDSRJUXJXOWCSQ-SFHVURJKSA-N 416.529 4.189 0 1 HIAF CO[C@@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 2356507801 HNYWCLCFGNCFCF-PPIRCCHNSA-N 420.590 4.152 0 1 HIAF COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2C(=O)C2(c3ccccc3)CCCC2)c1 61927093 WLUWROWAGIFZBV-XMMPIXPASA-N 422.525 4.145 0 3 HIAF Cc1cccc(Cl)c1NC(=O)[C@@]1(C)CSCC(=O)N1Cc1ccc(F)cc1 205859276 IAKZJRGDSLJAOV-HXUWFJFHSA-N 406.910 4.260 0 3 HIAF Cc1cccc(NC(=O)N[C@@H]2C[C@@H](N3CCCCCC3)c3ccccc3N(C)C2=O)c1 841687 VOTOZHKAYLGZKY-FYYLOGMGSA-N 420.557 4.469 0 1 HIAF C[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2cc3sccc3n2C)C1)c1ccccc1 5085139 QKQGHEHOAXQCJF-AEFFLSMTSA-N 409.555 4.012 0 1 HIAF O=C(OCCCc1ccc(Cl)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 13441765 APUHVUOFPOQKOO-FQEVSTJZSA-N 421.946 4.059 0 1 HIAF C[C@H](CCc1ccco1)N(C)C(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 15734853 WWMPYDNLLCOGBU-QGZVFWFLSA-N 424.570 4.494 0 1 HIAF Cc1oc(-c2cccs2)nc1CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26579005 NYNHYIDWORNZFH-QGZVFWFLSA-N 414.508 4.227 0 1 HIAF CN1CCC[C@H](N2C(=O)CN=C(c3ccccc3Cl)c3cc(Cl)ccc32)C1 27755389 QAHGKBRLQGDJTD-HNNXBMFYSA-N 402.325 4.272 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc1 29133369 MLRPXXLCKLSSRX-SDNWHVSQSA-N 424.504 4.375 0 1 HIAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1 34232022 AZHXEWFJUZPZDG-UHFFFAOYSA-N 417.412 4.359 0 1 HIAF COc1ccc([C@@H](c2oc(CO)cc(=O)c2O)c2c[nH]c3ccc(Cl)cc23)cc1 64559427 CSPQVDUZDZGQTF-HXUWFJFHSA-N 411.841 4.161 0 1 HIAF CC[C@@H](C)/C=C(\C)C1=Cc2cc3c(c(O)c2CO1)C(=O)[C@](O)(CC(C)=O)C(OC)=C3 85599739 AEUOEFHLXREGMT-JHASNZPQSA-N 412.482 4.150 0 1 HIAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(Cl)cc2)nn1 103209343 VRTUWAGYJSZBNE-UHFFFAOYSA-N 404.760 4.162 0 1 HIAF O=C(Nc1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1c(F)cccc1F 116820317 OLBVHWVLKVATBM-UHFFFAOYSA-N 409.318 4.089 0 1 HIAF CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(\C)CC[C@@H](OC(C)=O)[C@@]12C 169361737 ZJOXMWJKQWLNFX-FVKAXZLHSA-N 416.514 4.194 0 1 HIAF COC[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ccc2c1 205430542 PZFJVXSVUNLVFI-QGZVFWFLSA-N 402.454 4.092 0 1 HIAF COC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1 205927183 SLCBWQFNFQSVAZ-UHFFFAOYSA-N 417.343 4.081 0 1 HIAF Cc1cccc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@@H]3C)n1 225980419 VHSNSHISDWBRJP-GFCCVEGCSA-N 402.285 4.037 0 1 HIAF COC(=O)C1=CC=C(C(C)C)CCC2=CCC[C@](C)(OC2=O)[C@@H](OC(C)=O)CC1 299808030 GCDVQIVAHBRSQZ-REWPJTCUSA-N 404.503 4.196 0 1 HIAF CC(C)(SCC(=O)O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586959342 NGCVSCCSZINFBS-UHFFFAOYSA-N 413.215 4.277 0 1 HIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(Br)cnc(Cl)c2[nH]1 586963610 PITWHOXZWUIFOH-MRVPVSSYSA-N 414.716 4.421 0 1 HIAF CCOC(=O)CCc1nc2cccc3c2c(c1CC(=O)OCC)-c1ccccc1C3=O 587105590 AHYZROGAKOGCGJ-UHFFFAOYSA-N 417.461 4.048 0 1 HIAF COC(=O)c1cccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587166525 VKLDADDKVZFENH-UHFFFAOYSA-N 406.442 4.456 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)O2 587392773 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COc1ccc2c(c1OC)[C@@]1(CC(=O)C[C@@H](c3ccccc3)C1)NCC21CCOCC1 963197062 XUSXDBVQVIYJQT-NIYFSFCBSA-N 421.537 4.087 0 1 HIAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C2(CCSCC2)N1C(=O)c1ccccc1 963446231 INOLWTCGGBLVKF-IBGZPJMESA-N 406.507 4.042 0 1 HIAF Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(C(F)(F)F)c1)CS(=O)(=O)O2 1857547424 VUIFQCLGLTVSJF-MRXNPFEDSA-N 408.401 4.054 0 1 HIAF CCOC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 1857616087 RPQFRZDAYLTSOM-SFHVURJKSA-N 414.458 4.029 0 1 HIAF CCN(CC)C(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCc3cccnc3)c(C)c2[C@H]1O 2356310726 FIDZKKFSCPKGJD-JKHABCDFSA-N 410.558 4.378 0 1 HIAF CC[C@@H](C)C(=O)O[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 9212684 PCZOHLXUXFIOCF-NTTKPLKTSA-N 404.547 4.196 0 1 HIAF COC(=O)[C@H](NC(=O)c1cc(-c2nccs2)nc2ccccc12)c1ccccc1 13762378 CBALMYJAYBVGIF-LJQANCHMSA-N 403.463 4.002 0 1 HIAF CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)nc21 13834593 DCVFIOLIQYKZMA-IBGZPJMESA-N 402.502 4.165 0 1 HIAF Cc1cccc([C@@H]2SCC(=O)N2CCN2C(=O)CS[C@H]2c2cccc(C)c2)c1 26666487 SRFUBVUBPMENPP-VXKWHMMOSA-N 412.580 4.152 0 1 HIAF Cc1cccc(-c2nc(CCOc3ccc(C[C@@]4(C(=O)O)CCCO4)nc3)c(C)o2)c1 34717815 QEQCZUPXQNXGFY-XMMPIXPASA-N 422.481 4.151 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc(-c2cccnc2)c1 53289367 FZIUEUCURKKNHE-IFMALSPDSA-N 406.482 4.323 0 1 HIAF O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)n1c(=O)[nH]c2cc(Cl)ccc21 96905537 VBOQHNMSUBKKBM-IBGZPJMESA-N 401.869 4.160 0 1 HIAF CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2)CC1 115627012 IMTBEVNRKRSEIC-UHFFFAOYSA-N 405.546 4.015 0 1 HIAF C[C@@H](Cn1cc(-c2ccccn2)nn1)[C@@H]1CC[C@@H](C[C@@H](C)OC(=O)c2ccccc2)O1 169297124 JMQXMAWLGSWGBC-KQZHTCIUSA-N 420.513 4.159 0 1 HIAF CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 169356362 AHUKDBFUVJNLJK-NQHRYMMQSA-N 401.510 4.439 0 1 HIAF Fc1cccc(COc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1 226059072 KVTQWMDQSBDHDU-UHFFFAOYSA-N 403.461 4.205 0 1 HIAF Oc1ccc(C2(c3nc4c(I)cnc(Cl)c4[nH]3)CC2)cc1 586899512 ZMHMAIINUYGHTP-UHFFFAOYSA-N 411.630 4.001 0 1 HIAF Clc1ccccc1OCc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587062938 CVHRLLUMGYYGDH-UHFFFAOYSA-N 402.845 4.438 0 1 HIAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587164957 GBBPVLJTOLLXKQ-UHFFFAOYSA-N 401.488 4.348 0 1 HIAF Oc1nc2cc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c3cc2[nH]1 587166614 XQASXWFTUOLINJ-UHFFFAOYSA-N 404.430 4.251 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)C[C@H]1CCCO1 587197168 KNZUEAIYEWHKLB-SNVBAGLBSA-N 401.294 4.181 0 1 HIAF CCOC(=O)Cc1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587235722 PUHICIOGBNRSRE-HZPDHXFCSA-N 401.507 4.219 0 1 HIAF COc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 587238860 GVZUTGCVAFGSPR-AOSWFRPUSA-N 401.507 4.127 0 1 HIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(O)c1 587240397 JKRPSOUYVQZKGI-QFIPXVFZSA-N 415.453 4.149 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(Cc3ccccn3)CC2)[C@H]1c1ccc(F)cc1 587345627 QJAVPNAETYPCBI-QHCPKHFHSA-N 418.468 4.320 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccsc1C(=O)OC)CC2=O 587493899 IOFRTGHUKFUEFF-XUSGNXJCSA-N 404.484 4.384 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc(C(F)(F)F)cc1 587547085 LECOSVZZFYQWAT-NQIIRXRSSA-N 416.351 4.260 0 1 HIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC 587590324 BWZOWQVOBQNUQN-DVECYGJZSA-N 422.433 4.295 0 1 HIAF COC(=O)CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591055 FQMUAFJKQGHVAP-QPPBQGQZSA-N 404.418 4.203 0 1 HIAF O=C1CCC(=O)N1c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623480 TVDDQAFHNDZFDG-UHFFFAOYSA-N 409.243 4.127 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCn3c(O)nc4cccc2c43)N1 587777953 KEUOWCOOUDGODU-BIBXISHDSA-N 416.294 4.215 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587802335 LGWIPMZBKZBJHZ-AYLIAGHASA-N 407.283 4.037 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587828672 OSJCAKLYYXBLGA-UGZDLDLSSA-N 408.267 4.302 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(O)c(C)c1O 587864862 RIANPSCVYRPUEX-UHFFFAOYSA-N 406.360 4.376 0 1 HIAF Cc1[nH]c2cnccc2c1[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962920128 CZSHLTNBXVNBJF-NZQKXSOJSA-N 415.449 4.058 0 1 HIAF CCCc1ccc([C@]2(c3ccnc(C)c3)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962922727 GUVGTHQVZKRZAK-HHHXNRCGSA-N 413.565 4.482 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2nc3ccc(F)cc3[nH]2)N1 963181724 HFKTZYHLEVAPHG-SWLSCSKDSA-N 413.758 4.063 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccccc1CN1CCCC1)C1CC1 963612659 SWODZWPTOOJUCE-QYBDOPJKSA-N 406.570 4.487 0 1 HIAF COc1ccc(CN2CC[C@H](CC(=O)O)[C@H](Cc3nc4ccc(C)cc4[nH]3)C2)cc1 2356305968 WXRJBKLJDDXSAQ-RTBURBONSA-N 407.514 4.035 0 1 HIAF COc1ccc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@@H](CNC(=O)C3CC3)C=C2C)cc1 2356701220 YUHJEVYOPDLMON-XJUOHMSHSA-N 412.574 4.082 0 1 HIAF O=C(NCCCC1CCN(C[C@H]2COc3ccccc3O2)CC1)Nc1ccccc1 27197640 ZLOMGHVTJDXSST-NRFANRHFSA-N 409.530 4.140 0 1 HIAF NCc1ccc(NC(=O)CCc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)cc1 27325500 ARFQAYYPDGAEEL-UHFFFAOYSA-N 406.269 4.203 0 1 HIAF COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1 45227875 VJHSVZTVCILNNH-UQBPGWFLSA-N 419.521 4.306 0 1 HIAF Cc1cccc(C(=O)Nc2ccnc(N3CCCN(Cc4cccc(O)c4)CC3)c2)c1 45302611 RTCNVJFYNZXJMN-UHFFFAOYSA-N 416.525 4.060 0 1 HIAF CCC[C@@H](Oc1ccc(-n2cc(C)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 96269702 SZPWPGPIJSPDNT-JOCHJYFZSA-N 421.497 4.305 0 1 HIAF O=C(c1ccccc1)N1CCC(CCCCCn2cc(-c3cccnc3)nn2)CC1 96924030 XZYCTUATYTVTQU-UHFFFAOYSA-N 403.530 4.453 0 1 HIAF CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@H]1c1cccc(Br)c1 100704328 IWHFXDMOABKCRG-IEMQHYRPSA-N 422.304 4.321 0 1 HIAF CC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 143741614 QSMUEFKYRNFGAW-UHFFFAOYSA-N 413.461 4.007 0 1 HIAF Cc1nc([C@@](C)(NC(=O)c2cc(O[C@H](C)C(F)(F)F)c(C3CC3)cn2)C2CC2)no1 149235168 KWDRDSMKCSDYLL-DGIBIBHMSA-N 424.423 4.035 0 1 HIAF COc1ccc(CNC(=O)c2ccc(NC(=O)N3Cc4ccc(F)cc4C3)cc2)cc1 166433277 HOCIMFWSBVWWFV-UHFFFAOYSA-N 419.456 4.312 0 1 HIAF COc1cc([C@H]2N(C)c3ccccc3C(=O)NN2c2ccccc2)cc(OC)c1OC 169303864 NCOXXVCDUJWMAR-DEOSSOPVSA-N 419.481 4.012 0 1 HIAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(Cl)cc1)[C@@H]23 169333592 DBHCSAFZYROWFD-LPOZWGFCSA-N 404.982 4.358 0 1 HIAF Fc1cnc(Nc2ccccc2)cc1-c1nc(N[C@@H]2CCNC2)c2sccc2n1 223672326 NPGRXWQKQVNAHS-CQSZACIVSA-N 406.490 4.410 0 1 HIAF C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@H]2N(C)C1 253634674 UDRQASHQXVJFFN-OKYGIHGQSA-N 410.558 4.029 0 1 HIAF CCC(=O)[C@H]1[C@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@H]1N2C 253638463 RDOXVARXZHCHTF-LRHZJYQRSA-N 417.718 4.490 0 1 HIAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587076750 NDFHBINSWZYFJS-UHFFFAOYSA-N 412.902 4.196 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3cc(Br)cc(F)c3[nH]2)C(F)(F)F)n1 587095146 YITYLWPSFZGKIW-ZDUSSCGKSA-N 424.217 4.222 0 1 HIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587121830 MSTFVVBTVLWJSQ-UHFFFAOYSA-N 423.372 4.232 0 1 HIAF Cc1c(Br)cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c1C 587226172 WEBSYLOOHHEUOG-ZDUSSCGKSA-N 402.292 4.026 0 1 HIAF CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(Cl)c21 587326905 DLGNAJDSNSGZCW-AUSIDOKSSA-N 423.827 4.416 0 1 HIAF COc1cc(N)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587330312 BJFIAVJMERDEMV-ISKFKSNPSA-N 423.440 4.405 0 1 HIAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331370 BAASRZBNAZBCEI-GKLUMCFYSA-N 421.468 4.402 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1sccc1Br)O2 587411830 WLUVQROENMOGBY-XFHJGTJQSA-N 407.333 4.337 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(F)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422933 HBCYBBNZALFAIW-SPLOXXLWSA-N 404.821 4.084 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCN(C(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587444945 SSXHDQYAUOFNHY-CYFREDJKSA-N 407.466 4.004 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccccc3nc1N1CCOCC1)CC2=O 587474848 KLJPOGPLGNTIQE-HSZRJFAPSA-N 418.493 4.436 0 1 HIAF C[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581287 GTNOPRNDOSODPG-XZRIDHLOSA-N 411.454 4.122 0 1 HIAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605997 CPTUVANJYSXMPQ-QQJYNPJZSA-N 408.450 4.394 0 1 HIAF Cc1cc(C)nc(SC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587608487 QZTYSLJYYHUGLX-GCJKJVERSA-N 408.479 4.312 0 1 HIAF CCOc1ccc(-c2nn(-c3cnc(Cl)cn3)c(=O)c3ccccc23)cc1OCC 587668981 PVTRBKCJFICAIV-UHFFFAOYSA-N 422.872 4.294 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(C(=O)O)N1 587703753 ZUFMXOMYICAILH-MLCYQJTMSA-N 412.686 4.298 0 1 HIAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C 587739380 GSUOSQCJPHEGEM-MPBGBICISA-N 407.327 4.282 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587741200 GINZPYOAKHSAIO-PRWKNARSSA-N 403.295 4.271 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587741462 HHEAGONWXRMMSE-YBTHPKLGSA-N 421.310 4.353 0 1 HIAF CCO[C@H](C)c1ccc([C@]2(CN)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587750299 SNLONQLVWWXIIF-QTCYRWPVSA-N 421.354 4.422 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccn2Cc2ccccc2)N1 587754825 MVWYTKIHTFFCEZ-YJYMSZOUSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cc3ccccc3o2)(C(=O)O)N1 587833764 OVWRXHIPQCSLCK-GIPWTMENSA-N 418.262 4.391 0 1 HIAF CCc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(S)n1 587844056 LSZALFRXVABWRY-NIVTXAMTSA-N 410.356 4.335 0 1 HIAF CCN(c1ccc(-c2csc([C@H](C)Cn3nc(C)cc3C)n2)cc1)S(C)(=O)=O 587923501 TZJSKYBGUWPLHM-CQSZACIVSA-N 418.588 4.213 0 1 HIAF O=C(N[C@H](C(=O)Nc1cccc(C(=O)CF)c1)c1ccccc1)OCc1ccccc1 621431802 NKCAIAAWIRQERD-QFIPXVFZSA-N 420.440 4.445 0 1 HIAF CC(C)(CNC(=O)OC(C)(C)C)CNc1ccnc(O)c1-c1nc2c([nH]1)CCCC2 653729572 DWGKRFACNLEAAG-UHFFFAOYSA-N 415.538 4.019 0 1 HIAF Cc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962958151 NFHPZXFRCWOWLT-HNAYVOBHSA-N 403.816 4.005 0 1 HIAF Cc1nc(-c2ccncc2)sc1[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972435 IPDYSPIWHXTYSU-CZUORRHYSA-N 421.856 4.133 0 1 HIAF COc1cc(OC)c2c(C)c([C@@]3(C)NC[C@@H]4CC(=O)N(C)c5cccc3c54)oc2c1 963016993 DJMWIJLTJPVLBU-BSEYFRJRSA-N 406.482 4.075 0 1 HIAF CCOC(=O)[C@@H](CC)[C@]1(c2ccccc2)NCCc2cc3cccc(OC)c3nc21 963061849 VRKJFZFBAMPBDM-NLFFAJNJSA-N 404.510 4.222 0 1 HIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(-c3c(F)cccc3F)o2)N1 963227666 QPGVMWMATJCGNV-PGRDOPGGSA-N 406.388 4.461 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2)C[C@@H]1CN1CCC(O)(c2ccc(Cl)cc2)CC1 1772590502 MQVFMLRFITXVFG-HYBUGGRVSA-N 413.945 4.144 0 1 HIAF Nc1c(C(c2ccccc2)c2c(N)c3ccccc3oc2=O)c(=O)oc2ccccc12 1857586486 GXYQARRITTVTSQ-UHFFFAOYSA-N 410.429 4.244 0 1 HIAF O=C(Cc1ccccc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccccc1C(F)(F)F 1857751497 WXZXLOQJOWYYDG-KRWDZBQOSA-N 416.321 4.244 0 1 HIAF Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)NCc2ccccn2)C1 3959599 MFIFLRKZIUTNER-SFHVURJKSA-N 424.932 4.227 0 3 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4051582 QXSMWXUTFDQBEL-WXOSOQMESA-N 418.896 4.094 0 1 HIAF COCCCNC(=O)c1oc2c(c1C)-c1nn(Cc3ccc(Cl)cc3)cc1CC2 8588551 AVICSHILCAEODJ-UHFFFAOYSA-N 413.905 4.018 0 1 HIAF COC(=O)[C@H](CCc1ccccc1)c1ccc2c(c1O)C(=O)c1c(O)cccc1C2 13606189 GCIKYXOLEUHQLT-LJQANCHMSA-N 402.446 4.122 0 1 HIAF O=C(/C=C\Cl)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 13861817 MNRDWWUGMJRIIM-PLNGDYQASA-N 404.655 4.222 0 1 HIAF OC[C@@H](c1ccccc1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22925348 LJJAIBPYVXEBMX-SANMLTNESA-N 416.565 4.144 0 1 HIAF CCN(CC)CCNc1nc2cc3nc(NCCN(CC)CC)sc3cc2s1 27190506 IOOCKCVLPNHISD-UHFFFAOYSA-N 420.652 4.413 0 1 HIAF Cc1nc(-c2ccc(OCC[C@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)no1 28478219 KFNVTEAQNRTWRK-QGZVFWFLSA-N 421.501 4.177 0 1 HIAF O=S(=O)(c1ccc(Cl)c(Cl)c1)n1cc(C[C@@H]2CCCN2)c2ccccc21 28526361 IEYWHDOWTULQBC-AWEZNQCLSA-N 409.338 4.480 0 1 HIAF CO[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28563114 XCTRZHKSHWYFCX-IRLDBZIGSA-N 407.466 4.401 0 1 HIAF Cn1c2cc(Br)sc2c2cnn(Cc3c(F)cccc3F)c(=O)c21 36380684 HVDOAIMELMGNAI-UHFFFAOYSA-N 410.243 4.039 0 1 HIAF O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)c1cccc(C(F)(F)F)c1 40423385 DXSRHZOORONICC-UHFFFAOYSA-N 414.343 4.315 0 1 HIAF COc1ccc(NC(=O)CCNc2cc(C)nc(NCc3ccccc3C)n2)cc1 45187490 WMMRIYAPAUWQMM-UHFFFAOYSA-N 405.502 4.155 0 1 HIAF OCCN1CCN(C2=Nc3cc(Cl)ccc3CC=C2c2ccc(Cl)cc2)CC1 53084742 OXMMKSYHUBSBPQ-UHFFFAOYSA-N 416.352 4.273 0 1 HIAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2cccnc2)c2ccccc12 58534563 AKOJLDAHTHCOQS-GOSISDBHSA-N 409.493 4.043 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)NCCCC)co2)cc1 82070612 DXGUJKGGOCODGB-KRWDZBQOSA-N 415.534 4.335 0 1 HIAF O=C(Nc1ccc(Br)cn1)Nc1cccc2c1[C@H]1CCCCN1C2=O 95571707 MEJNYSXBLHEZDC-CQSZACIVSA-N 401.264 4.169 0 1 HIAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95877649 IDTCIEOXFGFTMA-LJGDZFJRSA-N 416.496 4.411 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@@]12C 169322152 WNENMRZSIGSSCW-XRKXQLDASA-N 400.607 4.190 0 1 HIAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)c1cc2ccncc2s1 205800970 QVSPNLDISBELTH-OAHLLOKOSA-N 401.532 4.063 0 1 HIAF Cc1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c(C)n1 586961864 TVPUOSHMUFQYMS-DBVUQKKJSA-N 410.543 4.269 0 1 HIAF CCCn1cnc2cc(-c3nc4c(S)nc(S)nc4[nH]3)cc(Br)c21 587005296 RPFJQCTVHWPZJB-UHFFFAOYSA-N 421.349 4.120 0 1 HIAF Cc1nc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1Br 587121753 KCDXPTOECBBIKO-UHFFFAOYSA-N 412.169 4.471 0 1 HIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 587147680 XQFVKBSQIJBNBO-FQEVSTJZSA-N 420.400 4.467 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccccc1Br)CC2=O 587457244 WVGQHJZYQOLPRO-LJQANCHMSA-N 405.244 4.053 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCCCN(C)C)CC2=O 587470379 TURRHHLUPJSEQO-QFIPXVFZSA-N 413.514 4.390 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(CCc1ccccc1)CC2 587582463 LIOURSGBHOKOEN-QHCPKHFHSA-N 415.489 4.431 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 587584423 XVAOLTXFXTXJSB-KDSXSNECSA-N 401.462 4.245 0 1 HIAF CC1(C)Cc2sc(N)nc2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587620579 ZSUOUAKDFYQOEC-OPAMFIHVSA-N 408.479 4.260 0 1 HIAF CC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587710885 UWWOEJQXUKCEPV-FUXBKTLASA-N 418.175 4.494 0 1 HIAF COc1ccc([C@@]2(CCN(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587738732 CJBQBFOAFPLMIJ-LHSJRXKWSA-N 421.354 4.326 0 1 HIAF COc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587739942 IRDVNQYQUXFBOQ-NOGVYPAVSA-N 419.338 4.450 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2NC(=O)OC(C)(C)C)N1 587741664 HXHWTQCWMISADZ-LCCAYYTGSA-N 413.331 4.395 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(Cc3ccccc3)c2)N1 587756704 FCMAZRMFXYMCID-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O[C@H](C)C(=O)O)c2)N1 587797382 WOANATGXRFZMER-YRUZYCQGSA-N 408.267 4.064 0 1 HIAF CCOC(=O)[C@@H]1Cc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587798181 OAEBHCAHWIJUTQ-LGZJRCCHSA-N 418.306 4.101 0 1 HIAF COc1cc(OC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587811338 ZADMJNORKYVJNB-OVWNDWIMSA-N 410.283 4.238 0 1 HIAF Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1 653691071 JLKKNYCTRPWQIO-UHFFFAOYSA-N 415.833 4.297 0 1 HIAF CCOC(=O)CCC[C@]1(c2ccc(OC(C)=O)cc2)NCCc2ccc(F)c(C)c21 962380487 WVWKNOQWXBPQRN-XMMPIXPASA-N 413.489 4.182 0 1 HIAF FC(F)(F)[C@@]1(Cc2cnccn2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629865 CNWHLSPOBBLYJU-JTHBVZDNSA-N 424.470 4.224 0 1 HIAF COC(=O)c1ccc2c(c1)CCCC[C@@]21NCCc2cnc3c(OC)cccc3c21 963063901 FUZJDAGROSJYAI-RUZDIDTESA-N 402.494 4.146 0 1 HIAF O=C(O)CCCC[C@@]1(c2ccccc2Br)NCCc2ccc(O)cc21 963329332 MBCPEUKCWXEUPN-FQEVSTJZSA-N 404.304 4.189 0 1 HIAF Cc1ccc2nc(C3CC3)c(C(=O)NCCOc3ccc(Br)cc3)n2c1 1857544586 TWKVBTMFYPTXJD-UHFFFAOYSA-N 414.303 4.091 0 1 HIAF CCOC(=O)[C@H](C(=O)c1ccc(OC)cc1)[C@H](NC(C)=O)c1ccc(C(C)C)cc1 1857613700 LUZRWMPOZXDGLK-FCHUYYIVSA-N 411.498 4.058 0 1 HIAF CCN(CCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1OC 1857757521 WHTNMFXSNZRZAH-UHFFFAOYSA-N 416.543 4.001 0 1 HIAF COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C)cc2)CCC[C@H]1CN(C)C 28106358 BRGHAIWCFQUAFH-KRWDZBQOSA-N 412.555 4.177 0 1 HIAF O=C(O)CCc1ccc(COc2ccccc2)cc1C(=O)NCCc1ccccc1 45336723 BZUNQYCTNHWATL-UHFFFAOYSA-N 403.478 4.255 0 1 HIAF Cc1ccc(-n2nccn2)c(C(=O)N2CCCC[C@@H](COc3ccc(F)c(C)c3)C2)c1 68205310 HQNPMSSJLVLOSB-LJQANCHMSA-N 422.504 4.345 0 1 HIAF C[C@@H](Cc1nc2c(NCC3CC3)ncnc2n1CCN1CCCCC1)c1ccccc1 82184811 DZFROPQJDJIWGA-IBGZPJMESA-N 418.589 4.480 0 1 HIAF Cc1ccc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)cc(F)c2)cc1 103226540 ZNSZNBBRVKGKST-XMMPIXPASA-N 404.416 4.086 0 1 HIAF COc1c([C@@H](C)Nc2ncnc(N)c2C#N)cc(Cl)c(C)c1-c1cncc(C#N)c1 146914560 SVTHXLYAWGXNEC-GFCCVEGCSA-N 419.876 4.008 0 1 HIAF CCCCNc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12 169326059 ADIXALVHXCPHRC-UHFFFAOYSA-N 404.308 4.347 0 1 HIAF CC(=O)c1cccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCO5)c1 169339852 REIJOAHBSNHWST-UHFFFAOYSA-N 405.435 4.215 0 1 HIAF CCS(=O)(=O)Nc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1 169700052 MREPUGARIHJQHJ-UHFFFAOYSA-N 409.511 4.320 0 1 HIAF CO[C@H]1C[C@@]2(CC[C@]3(CCC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]43C)O2)[C@H](OC)O1 238788485 HUSWIFOINKVFAU-ZFXLENRKSA-N 410.551 4.198 0 1 HIAF CC(C)(SCC(=O)O)c1nc2cc(Br)c(Br)cc2[nH]1 586960095 RVLLXTKLLKKRKB-UHFFFAOYSA-N 408.115 4.141 0 1 HIAF CC1=C(c2ccc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3c2)NNC(=O)C1 587033094 SHJUYPKDFAQBBF-UHFFFAOYSA-N 415.522 4.326 0 1 HIAF COC(=O)c1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2c(F)c1Nc1ccccc1 587137413 YZUNUCMTCBIYBG-UHFFFAOYSA-N 409.396 4.203 0 1 HIAF Cc1cncc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c12 587218734 KRQSXVYDBQDRBA-QGZVFWFLSA-N 424.501 4.356 0 1 HIAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587223301 BQBPAINHZGCJBT-JTQLQIEISA-N 413.783 4.199 0 1 HIAF COc1ccc([C@@]2(CCCCCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442270 KQNWJZITISTAJA-NTKDMRAZSA-N 410.466 4.382 0 1 HIAF COc1cc2c3c(c1)O[C@@](C(=O)c1ccc(C(C)=O)cc1)(c1ccccc1)[C@@H](C2)C3=O 587445498 KGFVIDIABZFXNR-LVXARBLLSA-N 412.441 4.424 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1cc(OC)c(OC)c(OC)c1)CC2=O 587485024 XZQHMBOXAOMQPX-HSZRJFAPSA-N 400.471 4.337 0 1 HIAF C[C@H]1c2cc3c(O)nc(O)nc3nc2C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]21C 587560283 DZPREJHKFGBBBV-YKGBCLMASA-N 423.557 4.315 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(C)=O 587594252 NQDJNTBLLNSJNR-NZQKXSOJSA-N 406.390 4.029 0 1 HIAF CN1C(=O)CCc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587594587 MZKRHOWFZXBJHY-RCZVLFRGSA-N 415.445 4.178 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3[nH]cnc(Cl)c2-3)N1 587702515 DNBXMZPJYPQORQ-CQLKUDPESA-N 409.690 4.262 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCOC3=O)c2)N1 587764277 CVXPBWFYBMJWML-YUNKPMOVSA-N 419.294 4.343 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(O)cc2)N1 587792982 JBLPGSXJHGRPGM-GIGQVBGESA-N 402.267 4.308 0 1 HIAF CN1C(=O)C[C@H]2CNC3(CC(c4ccc(Br)cc4F)C3)c3cccc1c32 963037603 VQVJDIPCFVBWSZ-HMHBEAHTSA-N 415.306 4.414 0 1 HIAF COc1ccc(N(C(=S)NCCCn2cncc2C)C2CCCCC2)cc1OC 1857562781 DBMQSESGMJCMEE-UHFFFAOYSA-N 416.591 4.313 0 1 HIAF COc1cccc(-c2nc(-c3ccccc3)n(S(=O)(=O)c3ccc(C)cc3)n2)c1 1857617354 HGACOEQFFVTNDQ-UHFFFAOYSA-N 405.479 4.166 0 1 HIAF O=C(c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)N1CCNCC1 1857649514 VMGLZHSMRZQQMJ-UHFFFAOYSA-N 416.912 4.367 0 1 HIAF Cc1ncc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)n1C 12306357 JPHPQMJPTFSEGS-HXUWFJFHSA-N 406.505 4.385 0 3 HIAF CC(=O)Nc1cccc(-c2ccc3c(c2)N(CCc2ccccc2)C(=O)COC3)c1 205222399 WUOGESADZGUYTH-UHFFFAOYSA-N 400.478 4.418 0 3 HIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(SC)cc2)C(=O)[C@@]31C 2110667 SANOWOPTBKZZEG-JOCHJYFZSA-N 407.495 4.139 0 1 HIAF biogenic CN1c2ccccc2C(c2ccccc2)=NC[C@@H]1CCNC(=O)c1ccccc1F 13525966 SQWPOLRABKPQAP-IBGZPJMESA-N 401.485 4.302 0 1 HIAF CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc12 13607602 SNJKHGAVJNFFTR-INIZCTEOSA-N 421.925 4.398 0 1 HIAF COc1cccc(-c2ccc(NC(=O)c3csc(C(=O)O)c3C(=O)O)c(F)c2)c1 14960688 VVULBFYHKBZWEH-UHFFFAOYSA-N 415.398 4.212 0 1 HIAF CCCc1cc(=O)oc2c(C(=O)C(C)(C)[C@H](C)O)c(O)c3c(c12)OC(C)(C)C=C3 25970516 CKYLXONSZBPDTG-LBPRGKRZSA-N 400.471 4.225 0 1 HIAF O=C(CC(F)(F)F)Nc1cccnc1NCC1CCC(O)(c2ccccc2)CC1 28818983 QWQGHUSOGFKBAL-UHFFFAOYSA-N 407.436 4.462 0 1 HIAF Fc1cc(F)c(-c2c(Cl)nc(-n3cccn3)nc2NCC(F)(F)F)c(F)c1 40861767 CBESMOQBSQZIGA-UHFFFAOYSA-N 407.705 4.374 0 1 HIAF Cc1c(OCCCN(C)C)ccc2cc(NC(=O)c3cc4ccccc4[nH]3)c(=O)oc12 72172016 ZTGXFDQNVIMNTH-UHFFFAOYSA-N 419.481 4.166 0 1 HIAF CNc1nc(N)nc2nc(-c3c(N4CCCCC4)cccc3C(F)(F)F)ccc12 95564322 XDDKPOIWXMOOQL-UHFFFAOYSA-N 402.424 4.325 0 1 HIAF Cc1cc2nc(NC(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)sc2cc1C 112969647 FGOMBTJJMSKTFN-UHFFFAOYSA-N 412.490 4.042 0 1 HIAF Cc1onc(-c2ccccc2F)c1COc1ccc(C(=O)NCC(F)(F)F)cn1 143217257 BHEAJYIVALSJBE-UHFFFAOYSA-N 409.339 4.055 0 1 HIAF O=C(Nc1ccccc1)N1CCN([C@H]2CCc3cc(Br)ccc3C2)CC1 150193535 VXFLVCDHOJNDPJ-FQEVSTJZSA-N 414.347 4.156 0 1 HIAF CN(C)c1ccc(-c2nc3n(n2)[C@H](c2cccnc2)[C@@H]2C(=O)CC(C)(C)CC2=N3)cc1 169690039 WOSDUEIWRIPHEQ-LEWJYISDSA-N 414.513 4.087 0 1 HIAF Oc1cc(O)nc(SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)n1 586966770 MUYSPFWUKZSKTE-UHFFFAOYSA-N 410.299 4.094 0 1 HIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2C1 587032523 XQOSUCMVQKCTTM-UHFFFAOYSA-N 417.462 4.422 0 1 HIAF CS(=O)(=O)c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587068008 VYTKYNYAMUXZAN-UHFFFAOYSA-N 412.898 4.446 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587428767 PHYCLBFYOAKTPU-YADARESESA-N 404.393 4.224 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccc(-c3ccccc3)cc1)(C(O)O)CC2=O 587487496 FXUWESAXEFYVNV-RUZDIDTESA-N 404.462 4.183 0 1 HIAF Cc1oc2nc(Br)nn2c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499643 TWQGXWJPKOQYMS-IBGZPJMESA-N 416.275 4.153 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccc(F)cc2)c1 587573349 VYPHHRHRBRDEAJ-QPPBQGQZSA-N 416.408 4.479 0 1 HIAF COc1ccccc1N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580441 CJUCQFROCMGUNY-QPPBQGQZSA-N 403.434 4.012 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615280 XAPAQXBPXYLLOX-XXBNENTESA-N 419.458 4.313 0 1 HIAF COC(=O)c1cccc2c1CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587807615 MDKKMNSCTSHEPT-PRWKNARSSA-N 404.279 4.099 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](CC(=O)O)c3ccccc32)N1 587825453 DKOSLLPQRRTHQF-POEZALAKSA-N 404.279 4.328 0 1 HIAF COc1cc2c(cc1OC)[C@@](C)(c1ncc(Br)cc1C)N(C)[C@H](C)C2 962620433 HNVLYBDKLJIOBY-XCLFUZPHSA-N 405.336 4.310 0 1 HIAF Cc1cc(CN2CCC[C@@H](C)C2)c(C)c([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963509315 MJHBYTTZWJDGLV-AWKKRCEGSA-N 422.569 4.238 0 1 HIAF Cc1cccc2c1[C@@](C)(C[C@@H]1CCOC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905123 WGIRYBXZWWPVSN-PRCFCKQXSA-N 403.519 4.273 0 1 HIAF CO[C@H](C)CNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772578954 KAPODPSZQHDNOD-GFCCVEGCSA-N 405.376 4.206 0 1 HIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@H](O)Cc2cccc(F)c2F)cc1 1772583980 ZHIYYJVFRSDGIT-CLJVFZQKSA-N 414.448 4.351 0 1 HIAF CCNC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F 1857752165 LKTMHFJDOCITQY-UHFFFAOYSA-N 420.172 4.202 0 1 HIAF CC(C=C1C(=O)N(C)[C@@H](C[C@@H](C)C(Cl)(Cl)Cl)C(=O)N1C)=C(Cl)Cl 2356596328 GSTRDEBFQFLBIV-SCZZXKLOSA-N 422.567 4.275 0 1 HIAF CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@H](C)C[C@H](C)CC[C@H](C)OC1=O 2356862853 UOAPDHMSZKCUEI-MIDILNBFSA-N 424.626 4.072 0 1 HIAF O=C(Nc1ccc(Cl)cn1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2456085 VCFFNDUMCUTQCC-NHCUHLMSSA-N 403.869 4.211 0 1 HIAF CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](O)C(C)(C)C 3939652 XHPNYYOUZWOWNT-WMZOPIPTSA-N 411.554 4.012 0 1 HIAF O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1 13677368 PBAAFRAEWKNMJX-UHFFFAOYSA-N 406.357 4.326 0 1 HIAF COCCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 26498557 POKGJMNTQOFBOB-UHFFFAOYSA-N 417.550 4.125 0 1 HIAF COCC(=O)N(c1ccccc1Cl)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C 26727072 IDBGRMWFLVNQQD-RXVVDRJESA-N 400.950 4.273 0 1 HIAF CCO[C@H](Cc1ccc(OCCN2CC=C(c3ccc(CC)cc3)CC2)cc1)C(=O)O 45505937 CRGMTMNRXFVMLF-RUZDIDTESA-N 423.553 4.449 0 1 HIAF COc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)N(c1ccccc1)C2=O 64512965 CBTCKJKICJJIMP-UHFFFAOYSA-N 401.418 4.496 0 1 HIAF O=C(O)c1cc(CN2CCc3ccccc3[C@H]2c2ccccc2)c2ccccn2c1=O 66074857 FKGRSMZFPMYWLA-XMMPIXPASA-N 410.473 4.145 0 1 HIAF Cn1cc([C@H](NC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1 72103384 ANTXXZMEXVRHEN-OAQYLSRUSA-N 415.463 4.182 0 1 HIAF Cc1occc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 84605325 MXAJOIDGXKXKHF-UHFFFAOYSA-N 405.502 4.080 0 1 HIAF CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nccc(=O)[nH]2)=N1 95604136 RRINRPYMMVSLGD-IBGZPJMESA-N 406.917 4.078 0 1 HIAF O=C(C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CCC1 100636823 OWOVOFVRJSQHQW-BGYRXZFFSA-N 411.590 4.094 0 1 HIAF CCCC(=O)N[C@H]1CC[C@@](CNC(=O)c2ccccc2OC)(c2ccccc2)CC1 100942069 ZTWFYZSLDAUNEM-IHRKKFBRSA-N 408.542 4.222 0 1 HIAF CO/C(O)=C1\C(C)=Nc2nc3ccccc3n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 101833227 BUWMPMDFVIFXCD-AZZGVMCLSA-N 409.442 4.174 0 1 HIAF CCC[C@H](O)Nc1nc(Nc2cccc(-c3cncnc3)c2)c2ncn(C(C)C)c2n1 103186824 CFVOEIRDSYTLGT-SFHVURJKSA-N 418.505 4.138 0 1 HIAF COC(=O)CSc1cc(/N=c2\sc(=S)n3n2CCCC3)c(F)cc1Cl 103279129 QKAKQVQVRZNCMP-JXAWBTAJSA-N 419.956 4.164 0 1 HIAF NC(=O)c1[nH]c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2c1-c1ccccc1 144557065 GBMLUIMTBIQLSJ-UHFFFAOYSA-N 402.294 4.246 0 1 HIAF O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(F)cc2)CC1 163641160 CXVIYEZWFVXTER-UHFFFAOYSA-N 400.347 4.499 0 1 HIAF COc1ccc([C@@H](N)CCCC[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 169328090 NLVVORBLCPHBPE-VQTJNVASSA-N 414.546 4.168 0 1 HIAF COc1ccc2ncc(S(=O)(=O)c3cccc(C#N)c3)c(N3CCC(C)CC3)c2c1 201541534 MUGIZOURUALTLJ-UHFFFAOYSA-N 421.522 4.184 0 1 HIAF CCCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(SC)c2)cc1 261182860 WLTRYFFFSCLNPW-FQEVSTJZSA-N 418.584 4.153 0 1 HIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(Br)c(O)c2[nH]1 587108657 NXDAPRUXZFMPEI-UHFFFAOYSA-N 401.138 4.415 0 1 HIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587114263 YHZOEWVKLUFPTA-KRWDZBQOSA-N 401.310 4.399 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 587232589 ZYNWAXHSIGIALU-NEPJUHHUSA-N 414.731 4.015 0 1 HIAF COC(=O)c1cccc(-c2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2)c1 587436082 NHBKJGCMCNMUBT-UZUQRXQVSA-N 401.418 4.033 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H]1CN(C)CCO1)CC2=O 587463829 YZLPYGAPSNGAIL-FYYLOGMGSA-N 415.917 4.189 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(/C=C\C(=O)O)=COc2ccc(F)cc21 587472651 TXCQCGBTGSGARS-OIBNNZPTSA-N 410.397 4.262 0 1 HIAF O=C1CC2(Oc3c1ccc1c3CCCC1)c1c(O)cccc1C(=O)c1cccc(O)c12 587534698 XLQATCDAEQPUKG-UHFFFAOYSA-N 412.441 4.430 0 1 HIAF COCCOc1cccc(F)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556478 JRRKIQOACVUYLB-ZJSXRUAMSA-N 424.424 4.434 0 1 HIAF COc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 587580110 HEBQRUKMLVXVPH-XUZZJYLKSA-N 414.417 4.289 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)c3ccccc3)C2)N1 587770733 SWUCVAWBEFGOPV-SPLOXXLWSA-N 417.322 4.254 0 1 HIAF COc1ccc([C@]2(Cc3ccncc3)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962578070 ZWVYIVKFZUXWTJ-WXTAPIANSA-N 418.537 4.470 0 1 HIAF CC(=O)Oc1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1OC(C)=O 962660360 HGJZLJDIGFOWMN-RUZDIDTESA-N 401.462 4.439 0 1 HIAF CCOC(=O)[C@@]1(c2cc(Cl)ccc2OC)c2c(F)cccc2C[C@H]2CCCN21 963089294 GTEQGBKHDIQYHL-OPAMFIHVSA-N 403.881 4.315 0 1 HIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cn(CC(=O)OC)nc1-c1ccccc1 963236912 YFUOBXXSXLZSKA-AVRWGWEMSA-N 403.526 4.469 0 1 HIAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(C)nc3)cc2NC(=N)C1 1772629931 PNWCEPCVTWPIRM-UHFFFAOYSA-N 419.529 4.467 0 1 HIAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3cccc(Br)c3C2)CC1 1857573774 UGCFNMABVTZWEE-JCNLHEQBSA-N 408.384 4.027 0 1 HIAF Cc1c(-c2ccc(C(N)=O)c3[nH]cc(C)c23)cccc1-n1cnc2ccccc2c1=O 1857652116 JQPVRDYTZPWYRY-UHFFFAOYSA-N 408.461 4.250 0 1 HIAF CC(=O)OCC1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1[C@@H]3OC(C)=O 2356594681 YJYOZRWDYXVENI-ZNEPZMFVSA-N 418.530 4.125 0 1 HIAF Cc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3ccc(F)cc3Cl)sc2n1 2911542 NUINNWWALKHADZ-UHFFFAOYSA-N 420.897 4.190 0 3 HIAF C[C@]12CC[C@H]3c4ccc(OP(=O)(N5CC5)N5CC5)cc4CC[C@@H]3[C@@H]1CCC2=O 4758121 QFASSRYAKVZHGY-XWUOBKMESA-N 400.459 4.230 0 1 HIAF COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](C)NC23CCCCC3)c2ncccc2c1 6717796 KUSUCJNZQNCWFR-ROUUACIJSA-N 410.562 4.305 0 1 HIAF COC[C@@H](Cc1ccccc1)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13795016 PVSGGRGRZXFBNS-HXUWFJFHSA-N 416.529 4.114 0 1 HIAF O=C(C1=N[C@@H](c2c[nH]c3ccccc23)CN1)c1c[nH]c2cc(Br)ccc12 14768206 CIFUWIGYZJXRFR-GOSISDBHSA-N 407.271 4.337 0 1 HIAF biogenic CC[C@@H](C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1 26840909 WZUXJHOWBDMZJG-CQSZACIVSA-N 402.438 4.158 0 1 HIAF COc1cc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc(OC)c1OC 40762461 SOTXKHSFHRBTEM-UHFFFAOYSA-N 402.450 4.002 0 1 HIAF CC[C@@H](C)C(=O)O[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 44699495 PCZOHLXUXFIOCF-ROEQECQNSA-N 404.547 4.196 0 1 HIAF C[C@@H](CCc1ccccc1)NC[C@H](O)c1ccc2c(c1)S(=O)(=O)c1ccccc1N2 45230803 YRMWHBYBFCTAFY-JTSKRJEESA-N 422.550 4.221 0 1 HIAF CCCCOc1c(OCCF)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12 49047641 PWLGKMYYLCKNGO-UHFFFAOYSA-N 404.482 4.118 0 1 HIAF C[C@@H](Cn1cc(-c2ccccn2)nn1)[C@H]1CC[C@@H](C[C@@H](C)OC(=O)c2ccccc2)O1 64527561 JMQXMAWLGSWGBC-JGQIHZOTSA-N 420.513 4.159 0 1 HIAF COc1cc(CNC(=O)CCCCCC(C)C)c(I)cc1O 78938315 MGJQSBQUFTWMOG-UHFFFAOYSA-N 419.303 4.228 0 1 HIAF in-vitro O=C(C1CC1)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1 84601981 KOAYFGOVRZLWGD-UHFFFAOYSA-N 424.585 4.179 0 1 HIAF CCCCc1c(Cl)nc(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 84670654 FMEPUAVETBWWSZ-UHFFFAOYSA-N 422.920 4.267 0 1 HIAF Cc1nnc(C)n1C1C[C@@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 101059354 COFPFOGNGPMBQW-FIXSFTCYSA-N 421.589 4.111 0 1 HIAF CC1(C)CCN([C@@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C(=O)c2cnn(C3CCCCC3)c21 101668490 HKFKIRVNMWCAKD-ONPHVVPRSA-N 411.590 4.451 0 1 HIAF CCOC(=O)Sc1nc2cc(N3C(=O)c4ccccc4C3=O)c(F)cc2s1 103214154 HRIPASRKSCHUCE-UHFFFAOYSA-N 402.428 4.485 0 1 HIAF COC(=O)/C1=C/CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H](OC(C)=O)/C(C)=C/CC1 169369453 JQCWXJKSJTVECI-ZSPOXXAKSA-N 402.487 4.116 0 1 HIAF COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169696324 ULMJTQRLTUJPJN-UXHICEINSA-N 411.523 4.053 0 1 HIAF Cc1ccccc1[C@@H]1CCc2cc(Oc3nc(C)c(C(=O)NCCO)s3)ccc2O1 169710721 DMIPPPFIKPSSGE-FQEVSTJZSA-N 424.522 4.341 0 1 HIAF COC(=O)c1ccc2c(N=O)c([C@@H]3C(=O)Nc4c3cccc4C(F)(F)F)[nH]c2c1 169729517 KVNYOTGDQLDEBZ-CYBMUJFWSA-N 403.316 4.455 0 1 HIAF Cc1c(C2CC2)nc2ccc(-n3ncc(OCc4ccc(Cl)cc4)cc3=O)cn12 223387643 FJGMABCRRDYEAM-UHFFFAOYSA-N 406.873 4.298 0 1 HIAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cc1-c1ccccc1F 261087824 CXQMUWIZPQSYQS-FQEVSTJZSA-N 408.429 4.151 0 1 HIAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(C)C 586932919 LQPOGAHUIQZCPQ-FQEVSTJZSA-N 413.543 4.211 0 1 HIAF O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Cl)c(F)cc2[nH]1 587000680 SJPVHJASBSULEI-UHFFFAOYSA-N 424.657 4.086 0 1 HIAF CCCc1nc(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)nn1-c1ccccc1F 587155968 JTUFLGLBFDAESK-UHFFFAOYSA-N 413.840 4.342 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cl)c3ccccc32)[C@H]1c1ccc(F)cc1 587329554 LMKUJZVJRKGTJK-UGKGYDQZSA-N 409.800 4.286 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ncc(-c4ccc(Br)cc4)[nH]1)[C@@H](C2)C3=O 587417041 HTMLZDFGZNQKCE-IFXJQAMLSA-N 411.255 4.337 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1coc4cc(Br)ccc4c1=O)[C@@H](C2)C3=O 587417437 KMUNGHNRWQRJTA-RNODOKPDSA-N 413.223 4.053 0 1 HIAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(C)=O 587593344 LQLSCGLKXOGYPN-CVDCTZTESA-N 406.390 4.029 0 1 HIAF O=C(c1ccccn1)c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623963 UXEUOAMENXBRLK-UHFFFAOYSA-N 418.254 4.495 0 1 HIAF COc1ccc([C@@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587697838 UNFLTGSANGXQRT-XTZNXHDOSA-N 414.702 4.020 0 1 HIAF CC1=C[C@]2(CC(=O)N1Cc1ccco1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587757685 HNJKBHZFYIYKHT-FKIZINRSSA-N 419.294 4.247 0 1 HIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587805659 HALSVGRNTYXOIN-PRWKNARSSA-N 424.310 4.412 0 1 HIAF COC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811248 WCAYUDNNWBGTFV-QAJFTPDKSA-N 406.295 4.175 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OC[C@H]3CO3)c2)N1 587833088 LXBSLYXRUDHRRE-ADYAMRHXSA-N 406.295 4.164 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cnn(C)c3)s2)N1 587856255 XFSYWIQDRSSLND-ABKXIKBNSA-N 407.312 4.069 0 1 HIAF CC(=O)Nc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587856713 YZCPHSLEJWCIPQ-QPFGOUBPSA-N 412.328 4.109 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccncc2)no1 587865894 OCTRMPHUHWMQOJ-UHFFFAOYSA-N 401.348 4.402 0 1 HIAF O=C(O)c1cccc(-n2c(/C=C/c3ccc(Cl)cc3)nc3ccncc3c2=O)c1 653899207 GZYNXHCKVJITFF-RMKNXTFCSA-N 403.825 4.303 0 1 HIAF COc1ccc(C(=O)[C@@H]2C(=O)c3ccccc3[C@@]23NCCc2ccc(F)c(C)c23)cc1 962377498 RNKRJYUCSJBDEJ-BVAGGSTKSA-N 415.464 4.227 0 1 HIAF C[C@@]1(c2cccc3oc(N)nc23)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640869 MJFNPIUVHBQHKK-IBVKSMDESA-N 410.521 4.420 0 1 HIAF CCn1cc(-c2ccc(NC(=O)N=c3cc(C(C)(C)C)o[nH]3)cc2)c2c(N)ncnc21 1857611364 SAGFFDKEESOZKZ-UHFFFAOYSA-N 419.489 4.052 0 1 HIAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCCC(=O)O)[C@@H](O)C[C@H]1O 2356345444 RARJQAOGTFMPFZ-IIZPIQPGSA-N 402.572 4.406 0 1 HIAF CC[C@H](C)C=C(C)C1=Cc2cc3c(c(O)c2CO1)C(=O)[C@](O)(CC(C)=O)C(OC)=C3 2356493638 AEUOEFHLXREGMT-RZFZLAGVSA-N 412.482 4.150 0 1 HIAF O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 203474648 FNNYXENEABSBFN-LBPRGKRZSA-N 422.341 4.491 0 3 HIAF CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1)c1ccccc1 4036510 XGQMKJRYIUKUDL-NOZRDPDXSA-N 413.521 4.421 0 1 HIAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 4206287 GPOBRHWJZYGGCV-AAIMPIBUSA-N 422.912 4.472 0 1 HIAF COc1cccc(NC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)c1 6902099 AVNUEMYTFZJPBX-UHFFFAOYSA-N 403.438 4.148 0 1 HIAF COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2cccc(Cl)c2)C(=O)O)cc1 13445213 IEBVFFNUAULWOI-NRFANRHFSA-N 423.896 4.370 0 1 HIAF CN1CCC[C@H](COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)C1 13610370 UPXSOIKTRIGNGR-AOCRQIFASA-N 403.530 4.267 0 1 HIAF CCCN(CCCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1 28964151 JNTZATOMFKWPTP-VWLOTQADSA-N 407.602 4.174 0 1 HIAF CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2cccc([C@@H](F)CCCF)c2)C1=O 35269113 YLNRJQOYJWXWBO-LAUBAEHRSA-N 423.410 4.288 0 1 HIAF COc1ccc2c(-c3nnc(Nc4cc(OC)c(OC)c(OC)c4)s3)c[nH]c2c1 84670657 IXJRCFWWQVOKLQ-UHFFFAOYSA-N 412.471 4.464 0 1 HIAF O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCCC1 95894200 PIAGLHCUEXQJEW-SGNDLWITSA-N 408.517 4.195 0 1 HIAF CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1c1ccccc1 96272661 ZJJBLPXVAOPPAR-LJQANCHMSA-N 410.481 4.222 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@@H](c3ccccc3)S2)cc1 96273661 YPQXVNKTJNZZFB-NRFANRHFSA-N 402.523 4.455 0 1 HIAF Cc1cn(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)c2ccccc12 100632641 LZGIKPSDNVRPPX-DNVCBOLYSA-N 405.523 4.028 0 1 HIAF CC(=O)N1C[C@@H]2C[C@@H]1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 101656218 IVPRIRIFLMWNSH-JKSUJKDBSA-N 420.494 4.035 0 1 HIAF CCC[C@H](O)Nc1nc(Nc2cccc(-c3ncccn3)c2)c2ncn(C(C)C)c2n1 103186690 HQRGSBHKKKWODU-KRWDZBQOSA-N 418.505 4.138 0 1 HIAF Cn1cc2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2n1 103302882 DWADAQMBGKHLCV-UHFFFAOYSA-N 408.368 4.072 0 1 HIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1[C@@H](C)OCC2)c1ccccc1 146146641 CKGBTTAUJWZMGS-SQGPQFPESA-N 409.530 4.085 0 1 HIAF Cc1ccccc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1 147169555 PRYCQPHZDXHIJX-LJQANCHMSA-N 410.495 4.032 0 1 HIAF CN(C)CCCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 147485331 UXJLACHZORVUFQ-UHFFFAOYSA-N 405.502 4.084 0 1 HIAF CCCN1N=C2/C(=C/c3ccc(OC)cc3)C[S@](=O)C[C@@H]2[C@@H]1c1ccc(OC)cc1 169305793 QIQPCXWPRNOEQS-VLRPUODPSA-N 424.566 4.289 0 1 HIAF CN1CCc2c3c(n(-c4ccc(C(N)=O)c(CCC5CC5)c4)c2C1)CC(C)(C)CC3=O 169308153 FACPCCFMMPETLR-UHFFFAOYSA-N 419.569 4.062 0 1 HIAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 195400668 AXYTWSCYIWVQDK-HOJAQTOUSA-N 406.532 4.120 0 1 HIAF Clc1ccc(NCC2CCOCC2)nc1-c1ccnc2[nH]c([C@@H]3CCNC3)cc12 220164122 UHCUSFAGHYCWTL-OAHLLOKOSA-N 411.937 4.194 0 1 HIAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C(C)C)c2C)nc1 222636287 JHSODPLBEGHFGM-QUCCMNQESA-N 404.514 4.389 0 1 HIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 299883238 QZJCVURTHVIUMR-CEMLEFRQSA-N 414.571 4.482 0 1 HIAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(C5=CCCC5)[nH]c4c3)cc2)CC1 586886068 ZIXITLHFFPXLAO-UHFFFAOYSA-N 415.541 4.130 0 1 HIAF Nc1ccc(-c2ccc3nc(-c4cn(-c5ccc(Cl)cc5)nn4)[nH]c3c2)cc1N 587076392 RWOWQNXIGWGPJZ-UHFFFAOYSA-N 401.861 4.295 0 1 HIAF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(O)cc2[nH]1 587140071 BFMGNYWTBYEIEQ-KRWDZBQOSA-N 411.886 4.127 0 1 HIAF Nc1ccc(C(=O)CCc2nc3cc(Br)c(Br)cc3[nH]2)cc1 587251172 AKKMEYOKVMVORL-UHFFFAOYSA-N 423.108 4.486 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccncn2)[C@@H]1c1ccc(F)cc1 587345960 KPXBWGATCQTWNB-VWNXMTODSA-N 413.408 4.019 0 1 HIAF COc1cccc(C2(c3cccc(OC)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587444008 RTCSQTBXCZRQPX-OAQYLSRUSA-N 402.446 4.404 0 1 HIAF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccncc21 587589551 XZHPWUKMYKMVGY-ATIYNZHBSA-N 421.408 4.237 0 1 HIAF COc1cc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587589856 AWVYGGBSWNMKOW-ZJSXRUAMSA-N 406.434 4.460 0 1 HIAF COCc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587591004 FFPKKUQMUBNEEC-URXFXBBRSA-N 406.434 4.424 0 1 HIAF CC(=O)OC12CC3C[C@@H](C1)C1(Oc4ccccc4C(=O)[C@H]1C(=O)c1ccco1)[C@@H](C3)C2 587600019 KCCYXDKDAGMNGF-BPKIRVIJSA-N 420.461 4.234 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3cc(C)ccn3)c(=O)c3ccccc23)c(O)c1 587664374 FUSRSFXJKSVMJG-UHFFFAOYSA-N 400.482 4.308 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 587701698 CFZYUMFYOYDIBC-BCTVWOGZSA-N 423.717 4.455 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(Cc3ccccc3)n2)N1 587763581 KGTKOHOUGHNHPK-RNODOKPDSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2N2CCOC2=O)N1 587768668 VMCPNUZTMKIXBX-MPBGBICISA-N 419.294 4.343 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N(C)C)nc2Cl)N1 587851730 IYQMDUMFJSEPBU-JMCQJSRRSA-N 404.736 4.388 0 1 HIAF CCOc1cc(F)c([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(F)c1 962630616 FHTUAABYPANZAS-NFBKMPQASA-N 412.436 4.100 0 1 HIAF CC[C@H](NC(=O)C[C@@H](N)C(C)C)c1ccc(Cl)c(C(=O)c2cccnc2)c1F 1772631447 DKZVASCRSGFLNK-SJORKVTESA-N 405.901 4.046 0 1 HIAF Cc1c(C)c2ccc(OCC3CCN(Cc4ccc(CCO)cc4)CC3)cc2oc1=O 1857599549 VENFDSBABDYZEE-UHFFFAOYSA-N 421.537 4.236 0 1 HIAF CCC(=O)CCCN1CCN(C(C)=O)[C@H](c2ncc(-c3ccc4ccccc4c3)[nH]2)C1 1857610205 ARENJFPGSHILJH-DEOSSOPVSA-N 418.541 4.194 0 1 HIAF O=C1Nc2ccccc2[C@]12CCN(CCN1CCC(c3ccc(Cl)cc3)CC1)C2 1857759139 HKEJCVZPKVGQNA-XMMPIXPASA-N 409.961 4.115 0 1 HIAF O=C(O)C[C@H](c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1)c1cnco1 1857768446 LBXKXRVUCOIOKC-IAGOWNOFSA-N 415.829 4.153 0 1 HIAF C[C@@H]1COCCN1c1cc(N(C)c2ccc(F)cc2)c2ccnc(-c3cc[nH]n3)c2n1 1911571589 XMRWLWQHRURMCJ-OAHLLOKOSA-N 418.476 4.152 0 1 HIAF COc1cc(Cl)c([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)cc1OC 11715648 FMIOICWXUCTDAW-FOMLIJIXSA-N 412.917 4.300 0 3 HIAF O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4076573 YJTJIBHGZGNJIX-CTNGQTDRSA-N 410.857 4.220 0 1 HIAF Cn1c(SC[C@H]2C[C@](C)(O)CC(=O)O2)nc(-c2ccccc2)c1-c1ccccc1 13730503 OVAVVUWNFATFSO-JPYJTQIMSA-N 408.523 4.303 0 1 HIAF COc1ccccc1C(OC[C@H](O)CN1[C@@H](C)CCC[C@@H]1C)c1ccccc1OC 28223405 LFECEAWQGOGUJX-SLFFLAALSA-N 413.558 4.434 0 1 HIAF O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2cccc3ccccc23)CC1 53313412 FADPVYNRVAJEQK-UHFFFAOYSA-N 402.494 4.097 0 1 HIAF O=C(c1ccc(F)cc1)c1cnc(-c2ccccc2)n1S(=O)(=O)c1ccccc1 64527204 JQXXGAYJTBYPKE-UHFFFAOYSA-N 406.438 4.157 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1C 71332573 QOLHUCVLXVPCQL-LZLYRXPVSA-N 412.490 4.057 0 1 HIAF COc1cc2nc(NC[C@H]3CCCO3)nc(NCc3ccc(C)cc3)c2cc1OC 82131026 JCYAELWWRUMGKU-QGZVFWFLSA-N 408.502 4.158 0 1 HIAF O=c1c(CN(CCO)Cc2ccncc2)coc2cccc(OCC3CCCCC3)c12 95558319 UAYBUNZCRIBZLD-UHFFFAOYSA-N 422.525 4.142 0 1 HIAF CN(Cc1ccccc1)C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2 95586267 YCESGUYTXDDWMZ-UHFFFAOYSA-N 411.505 4.075 0 1 HIAF O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@]1(c3ccccc3)CC[C@@]2(C(=O)c2ccccc2)O1 102970225 OXEKLCAFUFECLU-PDMAMLTQSA-N 423.468 4.133 0 1 HIAF O=S(=O)(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(-c2ccccc2Cl)s1 114604427 NYGSNBPWVRTPQO-UHFFFAOYSA-N 417.903 4.049 0 1 HIAF CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 166803700 LQZHUWBKKWPJJL-UHFFFAOYSA-N 422.529 4.291 0 1 HIAF O=C(N[C@@H]1CCc2ccccc21)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 167449479 QSACZFYTYHIXDQ-OAQYLSRUSA-N 420.476 4.432 0 1 HIAF C[C@@H]1Cc2nn(C)c(-c3ccccc3Cl)c2-c2nc(Nc3ccn(C)n3)ncc21 169702161 LMPVIPNEQZEESQ-GFCCVEGCSA-N 405.893 4.334 0 1 HIAF Cc1cc(Nc2nccc(-c3cn(CC(C)C)cn3)n2)cc2cc(C(=O)N(C)C)[nH]c12 205651042 RESVMDRJKNQKSD-UHFFFAOYSA-N 417.517 4.231 0 1 HIAF CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 220686769 IXKTXELGBDRYHN-OAQYLSRUSA-N 413.514 4.309 0 1 HIAF O=S(=O)(c1ccc(F)cc1)N1CCOc2cccc(Nc3ccccc3F)c2C1 263620497 HCJWPYDAKXNGHM-UHFFFAOYSA-N 416.449 4.292 0 1 HIAF in-vitro CCOC(=O)c1cc(Br)c2[nH]c(/C=C3\OC(=O)c4ccccc43)nc2c1 586905753 APNMCNFCXGKNKZ-DHDCSXOGSA-N 413.227 4.171 0 1 HIAF COC(=O)c1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2cn1 587122806 YHPWKUDPQAHQRZ-UHFFFAOYSA-N 402.332 4.167 0 1 HIAF COC1CC(C)(C)N(CCOC(=O)CCc2cc3c4c(cccc4n2)CC3)C(C)(C)C1 587213135 TZMBBINHUSQVAX-UHFFFAOYSA-N 424.585 4.477 0 1 HIAF COc1ccccc1[C@]1([C@H]2CCCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587400731 SPPNFPFBTOQUST-QEEIZYTISA-N 409.482 4.338 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccc4c1CCN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587444903 SMFRCOJSTCNKKQ-WMZHIEFXSA-N 421.493 4.477 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C[C@H]1OCCc3ccccc31)(C(=O)OCC)CC2=O 587494206 XSNGTKMLYQUFSC-RDGATRHJSA-N 424.493 4.316 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cn2)N1 587679439 FFZXPKYBHKNLFF-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(CN=O)=COc1ccccc12 587739003 FLOWYURYTPSYKJ-WYRIXSBYSA-N 403.251 4.409 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1C[C@H]2CN(Cc2ccccc2)C1 587774608 OSMYZYSWECKFQL-JLSDUUJJSA-N 415.350 4.470 0 1 HIAF COC(=O)[C@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804803 FTBSEEPIKACLBR-RNODOKPDSA-N 406.295 4.124 0 1 HIAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587836978 CQUZZYRMHWWNEZ-GIPWTMENSA-N 418.262 4.035 0 1 HIAF CC[C@@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1cc(Cl)cn1 587868368 LWDLYYAHZRCOBS-ZDUSSCGKSA-N 413.787 4.114 0 1 HIAF COc1ccccc1[C@]1(c2nnc(C)o2)c2ccsc2CCN1Cc1cccn1C 962377602 XIHNGEFERJGEJT-HSZRJFAPSA-N 420.538 4.137 0 1 HIAF COC1=C[C@]2(CCC1)c1cc(C(C)=O)ccc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 962638489 ZYIYBVFLINOHGO-WMZHIEFXSA-N 415.486 4.045 0 1 HIAF C[C@]1(c2oc3ccccc3c2Br)N[C@H](C(=O)O)Cc2cc(F)ccc21 962890048 ASKVYYPYRYLPHY-LIRRHRJNSA-N 404.235 4.197 0 1 HIAF CCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1c1cccc(OC)c1 1772636466 UAYLMQPSPJHSIG-UHFFFAOYSA-N 407.466 4.193 0 1 HIAF O=C(CCCN1C(=O)c2cccc(Cl)c2C1=O)Nc1ccc(-c2ccccc2)cn1 1857549165 FPWFRSJBVFUXCL-UHFFFAOYSA-N 419.868 4.417 0 1 HIAF FC(F)(F)c1cccc(CN=c2[nH]c3ncnc-3c(NCCc3ccccc3)[nH]2)c1 1857600147 SOIYUERELUJLNO-UHFFFAOYSA-N 412.419 4.012 0 1 HIAF Cc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)cc1C 1857754778 JYKRLGDRZNFUQF-UHFFFAOYSA-N 411.483 4.003 0 1 HIAF CC(C)(Oc1ccc(CCOc2ccc(NC(=O)c3ccccc3)cc2)cc1)C(N)=O 1911581575 KPIPJOSZCQNWOM-UHFFFAOYSA-N 418.493 4.203 0 1 HIAF CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NCC4CCCCC4)CO[C@@H]23)cc1 2356826335 HIWCQNFYRRNAEC-YSFYHYPLSA-N 402.535 4.063 0 1 HIAF CCC(CC)C(=O)N(C)c1c(C)nc2c(OCc3ccccc3C(=O)OC)cccn12 61928348 AUFZJTVUOYEOQJ-UHFFFAOYSA-N 423.513 4.407 0 3 HIAF CCOCn1nnc(-c2ccc(F)cc2)c1-c1ccnc(NCc2ccccc2)n1 1553745 GXMVDAJMBKTOBP-UHFFFAOYSA-N 404.449 4.147 0 1 HIAF CCCCCCc1nc2c(n1Cc1ccccc1)C(=O)N(C)C1=N[C@@H]3CCC[C@@H]3N12 13763675 FXLGLJSHRHJAED-MOPGFXCFSA-N 405.546 4.237 0 1 HIAF O=C(N1CCc2cc(O)ccc2[C@@H]1c1ccc(Br)cc1)C(F)(F)F 26655799 DJRKSGRNONIHEI-HNNXBMFYSA-N 400.194 4.191 0 1 HIAF Cn1c(SC[C@@H]2C[C@@](C)(O)CC(=O)O2)nc(-c2ccccc2)c1-c1ccccc1 27438241 OVAVVUWNFATFSO-FDDCHVKYSA-N 408.523 4.303 0 1 HIAF COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 29486826 ZQZLNUMNWMAXIZ-UNVLAMQHSA-N 405.538 4.047 0 1 HIAF COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(F)cc4)oc3C)cc2oc1=O 40407795 UIJQZHSNOPZSMY-UHFFFAOYSA-N 423.396 4.304 0 1 HIAF CCn1nc(C)c2c(C)c(C(=O)NCc3ccc(-c4c(C)noc4C)cc3)cnc21 49068998 RLJRVJWESKEXCL-UHFFFAOYSA-N 403.486 4.270 0 1 HIAF CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3cccc(F)c3)CC2)o1 53313390 IVTNXJKVUMLIRC-UHFFFAOYSA-N 422.548 4.345 0 1 HIAF COc1ccccc1[C@@H]1c2c(nc(N)[nH]c2=O)N=C(c2ccccc2)[C@H]1c1ccccc1 66076103 VGJAWRCLYCNRFU-SFTDATJTSA-N 422.488 4.411 0 1 HIAF CCCC[C@H](CC)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 82196180 QZPVVQYOEOXQDL-INIZCTEOSA-N 406.530 4.030 0 1 HIAF Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(=O)NCc1ccccc1 96284881 UMYJLWPHQRXSOQ-QFIPXVFZSA-N 421.504 4.174 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 100745128 BUPWFKLTAPZHIE-QZTJIDSGSA-N 413.949 4.246 0 1 HIAF CC(C)(C[C@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)cc2c1OCC2 103250780 GOOXKCJWRRSCPC-HXUWFJFHSA-N 423.410 4.236 0 1 HIAF O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCn2cccn2)cc1 149703170 QYSTWDXXJHBMGG-UHFFFAOYSA-N 412.493 4.298 0 1 HIAF COc1ccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)c(C)c1 219746763 SWLQJMYDWWSEOR-HSZRJFAPSA-N 403.522 4.469 0 1 HIAF CCn1nc2c(c1C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O 220220964 KBQLHGZSZFKGCG-FQEVSTJZSA-N 420.904 4.274 0 1 HIAF Clc1ncc(Br)c2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587038601 AWWHGVRJWGFSJP-NEPJUHHUSA-N 409.740 4.320 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 587235019 CCPOJYXTTBVVQY-MWLCHTKSSA-N 413.291 4.410 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)cc(F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238592 DPQLORQHYCJRBO-PKQAIAMASA-N 407.461 4.396 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OC)c(F)c1)CC2=O 587465969 IGJWZVFVJXGVNI-QFIPXVFZSA-N 402.418 4.218 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(OC(=O)NC)c2OC1(C)C 587471423 SORJFTNBPOACRA-HSZRJFAPSA-N 411.454 4.095 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cc(OC)ccc1OC)CC2=O 587485034 YCIRDQMSQZHGNZ-HSZRJFAPSA-N 414.454 4.087 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1ccnc1)c1cccc(F)c1 587572055 QWGMJDSTIALULU-XUZZJYLKSA-N 416.408 4.285 0 1 HIAF CCCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608782 SRXWIZTXOOQMOI-REWPJTCUSA-N 424.474 4.279 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(C2CC2)N1 587754506 KDEWXLWYMSGXFC-JEOXALJRSA-N 413.331 4.252 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587759725 VFRRQCZZCLDJMF-PRWKNARSSA-N 415.310 4.409 0 1 HIAF CC(=O)N1CCc2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587766012 LZNHSRUUBGLQQS-GTJPDFRWSA-N 417.322 4.295 0 1 HIAF CCOC(=O)CC[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587771821 DGDRLQHJKARXNC-XCLFUZPHSA-N 421.310 4.104 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccc4c3n(c2=O)CC4)N1 587794486 VGTGYPWNUYIGOZ-WYRIXSBYSA-N 413.290 4.083 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC[C@H]3CO3)cc2)N1 587835978 YFFMJUFNHPONKF-QROBEVECSA-N 406.295 4.164 0 1 HIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2N1 587873767 JDUJPMIYHVYMGL-RMLUDKJBSA-N 407.327 3.987 0 1 HIAF CCOC(=O)c1nocc1[C@@]1(c2ccco2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962941340 DRFBRMMOOAZPSW-FATZIPQQSA-N 405.454 4.142 0 1 HIAF CCCCC[C@H](C[C@@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21)NC(=O)OC(C)(C)C 963492076 PWWGPSNHAVYOPX-SQNIBIBYSA-N 420.550 4.204 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1ccccc1F 771766 QKOVVMBAWFEFMW-GMAHTHKFSA-N 422.456 4.268 0 1 HIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccccc1OCC 4152640 FRQCFFFYTVDOJK-GMAHTHKFSA-N 410.514 4.492 0 1 HIAF CN(C)c1ccc(-c2nc3ccccc3c(=O)n2CCN2CCc3ccccc3C2)cc1 13438243 FYTMEAIABFTWAV-UHFFFAOYSA-N 424.548 4.188 0 1 HIAF O=C1NC[C@H](c2c[nH]c3cc(Br)ccc23)N=C1c1c[nH]c2ccccc12 15266933 FGNFMNKARKPBGP-GOSISDBHSA-N 407.271 4.072 0 1 HIAF biogenic COc1c(C)cnc(C[S@](=O)c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1C 26642356 GXBUSAZZNNUVRM-MUUNZHRXSA-N 411.405 4.084 0 1 HIAF CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(Br)cc1 42890311 DEGZPBLBUABPPE-LJQANCHMSA-N 419.319 4.143 0 1 HIAF O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCCCO2 71332471 YIIWSLXLWPRZFT-DEOSSOPVSA-N 421.880 4.284 0 1 HIAF COc1cc(/C=C/c2c(/C=C/[N+](=O)[O-])cc(OC)c(OC)c2OC)cc(OC)c1 72124350 SOVUCVDHPJIGQX-BLHCBFLLSA-N 401.415 4.147 0 1 HIAF COCCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1F 82150532 RGYBYGURAUTKAH-UHFFFAOYSA-N 400.498 4.041 0 1 HIAF COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(-c3ccco3)nc12 113276712 WOWDDTFMTILECG-UHFFFAOYSA-N 403.225 4.125 0 1 HIAF Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5)cc4=O)cc31)CNCCC2 115011003 MZNDSPKBXDSFJT-UHFFFAOYSA-N 417.484 4.083 0 1 HIAF CC(C)N(Cc1ccccc1)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167318799 YEGGHVHPBLSQTI-UHFFFAOYSA-N 415.537 4.290 0 1 HIAF COc1ccc([C@H](N)CCCC[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 169328088 NLVVORBLCPHBPE-UXHICEINSA-N 414.546 4.168 0 1 HIAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2c(c1)OC(F)(F)O2 205447958 PGACMTGGWQPJLB-UHFFFAOYSA-N 401.369 4.161 0 1 HIAF CCCCOC(=O)N1CCc2ncsc2[C@@H]1c1cc(Cl)ccc1OCC(=O)O 218028412 HPZGJNBJLKHWTE-KRWDZBQOSA-N 424.906 4.144 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 299879081 KFEHDMUCZNJERV-YFNKSVMNSA-N 408.542 4.420 0 1 HIAF O=S(=O)(NCc1nc2cc3ccccc3cc2[nH]1)c1ccc(Br)s1 586941574 BHYFJFWBVYOIRF-UHFFFAOYSA-N 422.329 4.019 0 1 HIAF COc1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961122 PQKXCCJAMYLZRP-LZQZEXGQSA-N 411.527 4.266 0 1 HIAF Cc1ccc2c(ccc3nc([C@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c32)n1 587038898 UVFYCXSWLHXLSP-LBPRGKRZSA-N 404.499 4.167 0 1 HIAF N[C@H](N=O)c1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 587112646 BEUPXOHMRPTKJW-QGZVFWFLSA-N 423.420 4.177 0 1 HIAF Cc1ccc(-c2nn3ccnc(O)c3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587395250 PDKPXVMRLXDMFE-GOSISDBHSA-N 400.438 4.007 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc3c4c(c(=O)oc3c1)CCCC4)O2 587408659 NHXPJBLOYLKLMO-RUZDIDTESA-N 419.477 4.365 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nn3cc[nH]c(=O)c13)CC2=O 587481564 GQBGYBUZBGPJOQ-LJQANCHMSA-N 415.449 4.054 0 1 HIAF CN(C)c1cc(Br)cnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496546 IBANCDKAHANSCN-SFHVURJKSA-N 401.304 4.495 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)c(F)c1 587553120 FRYNXVKGFHKDQQ-QPPBQGQZSA-N 421.424 4.071 0 1 HIAF CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598340 TYUQSXKZYZBBDS-JLGINSKQSA-N 418.445 4.144 0 1 HIAF CC1CCN(C[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 587660514 GFTJVJRIRSJPPI-QGZVFWFLSA-N 407.489 4.211 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCN(C)C)c2)N1 587743137 VUBKMKWISMFRGN-XCLFUZPHSA-N 407.327 4.152 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccn2Cc2ccccc2)N1 587754823 MVWYTKIHTFFCEZ-ORAYPTAESA-N 400.295 4.457 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2[nH]c1=O 587859637 GHJFJZONFONPOH-UHFFFAOYSA-N 401.253 4.481 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1nc2ccccc2[nH]1 587863994 VJWZCOVIUKBYSB-UHFFFAOYSA-N 400.360 4.337 0 1 HIAF COc1ccc(-c2cnc3c(Nc4ccc(N5CCOCC5)cc4)nccc3n2)cc1 653726400 SIQKTWQNQGTCLQ-UHFFFAOYSA-N 413.481 4.281 0 1 HIAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccc2ncccc2c1 653841647 KFSDRIKBFRKZPY-BQVXCWBNSA-N 415.537 4.493 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2nc3c(s2)C[C@@H](c2ccccc2)CC3)N1 962913128 QPVMFQCCTGLCKB-XQAUZQBESA-N 408.498 4.243 0 1 HIAF C[C@H](CC(=O)O)C[C@@]1(c2cccc3ccccc23)NCCc2c(C(=O)O)cccc21 963129013 DIAIHLMNFHMUOK-CPJLOUKISA-N 403.478 4.428 0 1 HIAF O=C1[C@@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccc(Cl)c(F)c1 1772619854 JATJVTHLUABLLD-QMMLZNLJSA-N 420.887 4.113 0 1 HIAF COc1cc2c(C(=O)N3CCCCCC3)cn(-c3ccc(F)cc3)c(=O)c2cc1OC 1857645130 YYUCKVQOCDPNQK-UHFFFAOYSA-N 424.472 4.163 0 1 HIAF CCCN1CCC(=O)N([C@H](CSc2ccc(OC)cc2)Cc2ccccc2)CC1 13661778 JKBJHINYZNNCSN-NRFANRHFSA-N 412.599 4.343 0 3 HIAF Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4cccc(C)c4C)c32)cc1 8604480 SCKOUFZDBSPXID-UHFFFAOYSA-N 414.509 4.368 0 1 HIAF COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c(OCCF)cc1OC 29127739 XBXGSRGFTFVODB-UHFFFAOYSA-N 408.901 4.028 0 1 HIAF CCCCNc1nc(N2CCN(c3ccccc3)CC2)nc2cc(OC)c(OC)cc12 82129973 VCAWXBRXCHXBOK-UHFFFAOYSA-N 421.545 4.186 0 1 HIAF COc1cc2nc(NCCCCCO)nc(NCc3ccc(C)cc3)c2cc1OC 82130226 DCLXLROQMUROLB-UHFFFAOYSA-N 410.518 4.142 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 82199172 SNMXXOWVJDTQSH-WUMAUGGESA-N 414.590 4.353 0 1 HIAF CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 103243122 XGDFDKUAACCDGW-RPBOFIJWSA-N 406.618 4.335 0 1 HIAF COc1ccc(C(=O)CSC(=S)Nc2cc(OC)c(OC)c(OC)c2)cc1 103278315 ZAHVDQKQCVDXFE-UHFFFAOYSA-N 407.513 4.034 0 1 HIAF COc1ccc(OC(F)(F)F)cc1CN[C@@H]1CC[C@H]2CC[C@@]1(c1ccccc1)N2 169353398 GXIFPPFQXPIEKY-WMQCIHAUSA-N 406.448 4.493 0 1 HIAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2C[C@H]3CCC[C@@H](C2)C3)c1=O 169694073 WKPMMJFYKKQWLO-ZCNORFJYSA-N 421.541 4.231 0 1 HIAF CCCOc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1Cl 169709858 OCZNBNYJXDWOHK-HNAYVOBHSA-N 417.937 4.379 0 1 HIAF Oc1ccc(N=c2[nH]c3ccc(C(F)(F)F)cc3[nH]c2=Nc2ccc(O)cc2)cc1 474607778 KAPSSAKOGVOTRK-UHFFFAOYSA-N 412.371 4.391 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C[C@H]1CCCO1 587197373 NVHUQBGFNGWZIW-GFCCVEGCSA-N 415.412 4.378 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(OC)cc1OC)CC2=O 587471649 UWLSOZVRDLBISZ-HSZRJFAPSA-N 413.470 4.115 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(C)=O 587594254 NQDJNTBLLNSJNR-REWPJTCUSA-N 406.390 4.029 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597530 QUEACWFRPGUASR-ZJSXRUAMSA-N 404.418 4.203 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3[nH]cnc(Cl)c2-3)N1 587703809 HLHOTWJYNLWZRE-CQLKUDPESA-N 409.690 4.262 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccn2Cc2ccccc2)N1 587759160 ZFMSWMRNNKAYSN-DJJJIMSYSA-N 400.295 4.457 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793647 RVOJFWIZWXMMLJ-ZRNGKTOUSA-N 407.283 4.037 0 1 HIAF Cc1cc2ncc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)n2n1 587797760 SROUDUGXIWLOPQ-OVWNDWIMSA-N 403.299 4.045 0 1 HIAF COc1ccc(Cl)cc1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868658 QXKPDAKZZPCCFP-UHFFFAOYSA-N 411.767 4.323 0 1 HIAF O=C(NC1CCCC1)c1ccc(-c2cn3c(-c4ccc(CO)cc4)cnc3cn2)cc1 653666912 KXJWXHBGSPDVDU-UHFFFAOYSA-N 412.493 4.228 0 1 HIAF CC[C@H](c1cnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1 653790220 UREQUBRTQWRQHS-GOSISDBHSA-N 424.599 4.271 0 1 HIAF O=C(C[C@]1(c2cccc3ccccc23)N[C@H](C(=O)O)Cc2cccc(F)c21)C(F)F 962907091 SKVUZFWIXSNZPM-FDDCHVKYSA-N 413.395 4.046 0 1 HIAF COc1ccc([C@H]2NCCc3c(C)ccnc32)cc1Cn1nc(C(F)(F)F)cc1C 963077989 VRVQHNDTGBMZTF-HXUWFJFHSA-N 416.447 4.206 0 1 HIAF Cc1ccnc2c1c([C@H]1N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c31)cn2C 963183088 SFFLCJDWVHEXSR-SUMWQHHRSA-N 423.822 4.242 0 1 HIAF CCCC[C@]1(CCCCCC(=O)OCC)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963554207 TZSREPALQCICCE-FDDCHVKYSA-N 405.535 4.199 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCCN(C(=O)Oc2ccccc2)CC1 963634063 IWPLGWMGJCSCOL-MZNJEOGPSA-N 410.514 4.118 0 1 HIAF C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CC[C@@H](c3ccc(O)cc3)C(F)(F)C2)C1=O 1772603825 VORAXNUWZGHPKU-JHVJFLLYSA-N 418.459 4.318 0 1 HIAF CCCN(C[C@H](C)O)[C@H](c1ccccn1)[C@@H](c1ccccn1)N1[C@H]2CCC[C@H]1CC2 1857592226 BEUSBOBPBOUZRP-PMDWNULLSA-N 408.590 4.369 0 1 HIAF Cc1cccc(-n2cc(COc3cccc(-n4c(C)nc5ccccc5c4=O)c3)nn2)c1 1857654889 OUXHPQCFRNIYDN-UHFFFAOYSA-N 423.476 4.162 0 1 HIAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]2(C)COC(C)(C)O[C@H]2CC[C@]13C 2356326329 WTLPSBZUQMYRGQ-CPCSPYBUSA-N 420.590 4.455 0 1 HIAF COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(OC)cc1OC 2485003 VGAADAXSEREIOG-UHFFFAOYSA-N 416.861 4.055 0 1 HIAF Cc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)o2)cc1 6737455 KBOAZZNCKMGCMS-UHFFFAOYSA-N 411.527 4.230 0 1 HIAF Cc1c(Cl)cccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1 8592818 WABGZMQQXMILDT-UHFFFAOYSA-N 422.753 4.275 0 1 HIAF C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCC3)n1)c1ccccc1 12365506 TWWUNSJOKCOGKZ-MRXNPFEDSA-N 415.472 4.490 0 1 HIAF Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3CCC(=O)O)CCCC2)c1 28342988 GDBPTTIBGDOKEH-UHFFFAOYSA-N 412.511 4.104 0 1 HIAF CN1C(=O)C2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@@H]1c1ccc(Cl)cc1 58576084 GXWNETASWIFTDL-SFHVURJKSA-N 419.859 4.446 0 1 HIAF Cc1cc(CN2Cc3ccccc3[C@H]2C(=O)Nc2ccccc2)ccc1OCC(=O)O 66261878 BAKWHMVZRMLABP-DEOSSOPVSA-N 416.477 4.154 0 1 HIAF Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCCN1CCNCC1 73279689 UNDRYZQEVPUIGH-UHFFFAOYSA-N 423.344 4.230 0 1 HIAF Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12 84669359 OTHGCBQMJAZUIO-UHFFFAOYSA-N 405.389 4.445 0 1 HIAF CCC[C@H](O)Nc1nc(Nc2ccc(-c3ncccn3)cc2)c2ncn(C(C)C)c2n1 103186936 PBTNYNHOVGFGNO-KRWDZBQOSA-N 418.505 4.138 0 1 HIAF C[C@@H]1C(=O)[C@H](C)[C@@H](c2cccc(F)c2)N(C(=O)Cn2ccnc2)[C@H]1c1cccc(F)c1 169668919 RPBVLVICPNKVAG-UPQFZMOLSA-N 423.463 4.327 0 1 HIAF CC(C)=Cc1c(O)ccc(-c2coc3cc4c(c(O)c3c2=O)C[C@@H](C(C)(C)O)O4)c1O 238765711 LELMASAVWARMJO-IBGZPJMESA-N 424.449 4.074 0 1 HIAF Cn1c(C(=O)CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)nc2ccccc21 261103203 GWJWOYSHAJDPLZ-UHFFFAOYSA-N 420.469 4.335 0 1 HIAF O=C(O)c1cc(F)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586985786 RQWLIQNNNAETOF-KRWDZBQOSA-N 418.266 4.348 0 1 HIAF Cc1nc(C)c(Cc2nc3c(Br)cnc(Br)c3[nH]2)s1 587012606 QBCHJUYRYJCPTI-UHFFFAOYSA-N 402.115 4.147 0 1 HIAF COc1cc(/C=C/c2nc3c(O)nc(S)nc3[nH]2)cc(Cl)c1OCC(C)C 587046859 NNKGUZUGWLUSCX-SNAWJCMRSA-N 406.895 4.214 0 1 HIAF O=C(N[C@H](c1ccccc1)c1nc2cc(Br)ncc2[nH]1)c1ccccc1 587219683 PRASGCASAUOXCP-GOSISDBHSA-N 407.271 4.240 0 1 HIAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)cc(Cl)c3[nH]1)C2 587247716 XSIFTWDRTKSLDV-GOSISDBHSA-N 406.711 4.330 0 1 HIAF C[C@]1(c2cccc(NC(=N)N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340062 UYIXLJYNYCSIBX-NZQKXSOJSA-N 405.429 4.111 0 1 HIAF CN(C)/C=C/[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341933 ZUYJENHJHDWQTN-QPSFQWMHSA-N 404.441 4.256 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ncccc1C(=O)O)(c1ccccc1)O2 587409230 KWQGUAKOIXEVTK-HSZRJFAPSA-N 420.490 4.323 0 1 HIAF C=CN1CCCC[C@@H]([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587443093 KTGDVWKFODYVDF-UMEGOILYSA-N 403.478 4.110 0 1 HIAF Cc1cc(Br)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587497179 LCYJGFFFDQFTAX-NRFANRHFSA-N 412.283 4.449 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)C1CCNCC1 587572341 SBQMVPYOOWFONO-RDGATRHJSA-N 419.452 4.388 0 1 HIAF COc1cc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587591327 GNARWYZDOZSHES-URXFXBBRSA-N 422.433 4.295 0 1 HIAF C[C@]1(c2ccc(OCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598369 UECPPHUYZMACOR-XUZZJYLKSA-N 420.417 4.123 0 1 HIAF CCCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)N[C@@H]1CCOC1=O 587625519 JKUDTLOUNMVMSX-LLVKDONJSA-N 422.325 4.203 0 1 HIAF COc1ccccc1-n1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587760725 QDRVTPCQZSKVAE-MPBGBICISA-N 416.294 4.406 0 1 HIAF Cc1nn(-c2ccncc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587765821 UJAOVYXKFBQPOD-JEOXALJRSA-N 401.283 4.101 0 1 HIAF CCOC(=O)Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587793470 FJMMEMSPDAYVKY-YEJXKQKISA-N 420.322 4.492 0 1 HIAF COc1ccc2c(c1OC)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587811631 WYGAMQOOHCMMQE-GIPWTMENSA-N 406.295 4.329 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2(C(=O)O)CC2)N1 587820318 BAKBNAHCALZFPW-YUNKPMOVSA-N 404.279 4.231 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCN(C(C)=O)C1 587860152 PTQMMUGPRYRSTQ-ZDUSSCGKSA-N 410.301 4.154 0 1 HIAF CC[C@@]1(c2cc(N)ccc2C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922382 CPOUQOJFPDZMGA-ZCYQVOJMSA-N 418.493 4.328 0 1 HIAF O=C(O)CCCC[C@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959897 QPFBEUAGPVRSKC-IIBYNOLFSA-N 423.843 4.106 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(Cl)nc2)c2ccsc2CCN1Cc1cccnc1 962995313 MTFITIHHIMJQGU-OAQYLSRUSA-N 413.930 4.057 0 1 HIAF COc1cccc([C@]2(c3cccc(F)c3)NCCc3cc4cccc(OC)c4nc32)n1 963061763 XUQCTEMTSVTYEI-VWLOTQADSA-N 415.468 4.224 0 1 HIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(F)c2F)cc1 1772583981 ZHIYYJVFRSDGIT-QJBLCJSXSA-N 414.448 4.351 0 1 HIAF NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCc1cc(F)ccc1F 1857743654 KKHYJYDEGGYOIC-UHFFFAOYSA-N 411.437 4.424 0 1 HIAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@@H](CO)[C@]2(C)CCc1ccoc1 2356520123 AIGWUCNUZVDRHF-SVLHQOMZSA-N 418.530 4.370 0 1 HIAF C[C@]1(C(=O)NCc2ccco2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61905350 CLTLQUDQZDPFNO-HXUWFJFHSA-N 402.372 4.370 0 3 HIAF Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)sc(=O)n1Cc1cccc(F)c1 61906957 HABRTXOALDGQSB-UHFFFAOYSA-N 424.419 4.354 0 3 HIAF CN1[C@H](C(=O)NCc2ccccc2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 254046468 QRAQLPHQVSZGDI-VMDGZTHMSA-N 415.324 4.035 0 3 HIAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215853 QZJCVURTHVIUMR-NNWRFLSQSA-N 414.571 4.482 0 1 HIAF Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 9680225 VTKDYVKVVBLVFJ-UHFFFAOYSA-N 423.853 4.137 0 1 HIAF C[C@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2ccccc12 10450372 GCZBFHFZBMFHDI-CQSZACIVSA-N 403.887 4.157 0 1 HIAF CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@H]1O3 13474870 KBGAIKLFNZYVGJ-XMMPIXPASA-N 405.498 4.026 0 1 HIAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c2nc(C)[nH]c(=O)c12 13585043 NCZOTTPGPQLHPC-UHFFFAOYSA-N 409.220 4.465 0 1 HIAF Cc1ccc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1 13815788 SKSAMLPLLXHKDC-UHFFFAOYSA-N 404.513 4.196 0 1 HIAF COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CN(c3ccccc3)C2=O)cc1 29462046 FJBKKMJBVLOMRG-UHFFFAOYSA-N 419.502 4.056 0 1 HIAF CCCCCc1cccc([C@@]2(c3ccc(OC(F)F)cc3)NC(=N)N(C)C2=O)c1 35262405 GPIGHALYCORADP-JOCHJYFZSA-N 401.457 4.261 0 1 HIAF O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)Nc1cccnc1 84652540 JGEMKKMKVJVVKF-UHFFFAOYSA-N 401.514 4.090 0 1 HIAF O=C(Nc1ccccc1C1=CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1 84730177 LOKSSVRORJUSAG-UHFFFAOYSA-N 403.507 4.374 0 1 HIAF CC(C)Cc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1 95603257 XYGNIDZIJKVAFT-UHFFFAOYSA-N 408.502 4.146 0 1 HIAF CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O/C2=C\c2ccc(O)cc2)cc1 96929020 ZAEWWUYXBRUPFU-QNGOZBTKSA-N 418.470 4.304 0 1 HIAF CCC[C@H]1CC[C@@H]([C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H]3N=C(CCCCC(=O)OC)C[C@@H]32)CC1 100659758 UQEOPLABKYFAJH-YGAVFRESSA-N 419.606 4.454 0 1 HIAF O=C(O)Cc1ccccc1S(=O)(=O)c1ccc(-c2ccc(OCC[18F])cc2)cc1 101663001 UIVFNXLDHQCJRY-VNRZBHCFSA-N 413.457 4.162 0 1 HIAF O=C(O)C1=C(C(=O)Nc2scc(C(F)(F)F)c2-c2nc(C3CC3)no2)CCC1 147025292 FKEBVLVRRPUVQP-UHFFFAOYSA-N 413.377 4.198 0 1 HIAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC4CCOCC4)cc3)oc2c1 168615658 AVNUMLOZGYUZOY-OAHLLOKOSA-N 419.481 4.303 0 1 HIAF COC(=O)[C@@H]1N[C@H](c2ccccc2)c2c1c(O)n(-c1ccc(Cl)c(Cl)c1)c2O 169717955 GEMYJIADYZLHLI-IAGOWNOFSA-N 419.264 4.102 0 1 HIAF COc1cc2c(cc1O)[C@H]1C[C@@H](C[C@@H]3CCCCN31)OC(=O)/C=C/c1ccc(O)c-2c1 195483209 CDTGNBVPXHNHGE-LGYZDCGGSA-N 421.493 4.401 0 1 HIAF CC(C)=CC[C@@]12C[C@H]3C(C)(C)[C@H](C(C)(C)O)C[C@@]3(C(=O)C(C(=O)C(C)C)=C1O)C2=O 200123321 PEYONNOHFLWITB-ZKEYHTMCSA-N 416.558 4.341 0 1 HIAF in-vitro COc1ccc(-c2cccc(C(=O)N[C@H](CC(=O)O)c3ccccc3Cl)n2)cc1 261070956 ACAPWWHONLBUQA-HXUWFJFHSA-N 410.857 4.356 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccc(C)c(F)c1 261162719 RDMKVCWTUMOKIA-FQEVSTJZSA-N 422.456 4.459 0 1 HIAF COc1cc(-c2cc(/C=C3\C(=O)Nc4cc(Cl)ccc43)[nH]n2)cc(OC)c1OC 299864599 MPLUMBRBQZTMJL-DHDCSXOGSA-N 411.845 4.249 0 1 HIAF CSc1sc(-c2nc3ccc(CO)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919660 DEVIYIXYDLKQCM-UHFFFAOYSA-N 416.977 4.341 0 1 HIAF CC(C)(C)c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2n1 586969204 IDKKJMBSYNTHQU-UHFFFAOYSA-N 409.471 4.326 0 1 HIAF CCOC(=O)c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587028925 BYBCUCZGPBFCAN-UHFFFAOYSA-N 403.467 4.261 0 1 HIAF N[C@@H](N=O)c1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 587112644 BEUPXOHMRPTKJW-KRWDZBQOSA-N 423.420 4.177 0 1 HIAF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(O)c2[nH]1 587140101 BUWACRJXBQJMMZ-HNNXBMFYSA-N 411.886 4.127 0 1 HIAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3nccnc3I)nc2c1 587186356 ITTLNSVECBNJEI-UHFFFAOYSA-N 424.551 4.297 0 1 HIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587199034 XFJLGVFLQOGHSE-UHFFFAOYSA-N 417.487 4.156 0 1 HIAF COc1cc(N)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587330322 BJFIAVJMERDEMV-UPVQGACJSA-N 423.440 4.405 0 1 HIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1OC 587338186 QWROLZHZANFVLY-RDPSFJRHSA-N 423.440 4.405 0 1 HIAF COC(=O)C[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349971 JJXNMZYSGIXADE-ILBGXUMGSA-N 420.436 4.435 0 1 HIAF O=C(O)C1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587360443 VMGWNESECLNLML-QPPBQGQZSA-N 418.376 4.147 0 1 HIAF COc1cc2c3c(c1)O[C@@](C[C@@H]1CCC[C@H]1C(=O)O)(c1ccccc1OC)[C@@H](C2)C3=O 587443200 PHJKJGRLTIDSJT-PJWWGAQCSA-N 422.477 4.238 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586143 HLYCZOPWTQLKSL-HUWAZJHZSA-N 423.465 4.122 0 1 HIAF CCOC(=O)[C@@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598759 VEEZKNHDRBGRAJ-BWKNWUBXSA-N 418.445 4.429 0 1 HIAF C[C@]1(c2cccc(OC[C@@H]3CO3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614554 CJJSPJYEDBTPRF-QATBIIFWSA-N 404.418 4.047 0 1 HIAF C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2c(C(=O)O)cccc2c1CCCC1OCCO1 587637420 CNURLRTUICYVOJ-CYBMUJFWSA-N 418.490 4.147 0 1 HIAF CCn1ncc(Br)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587676832 GFJBNTZEYSMTSQ-CLAHSXSESA-N 417.120 4.191 0 1 HIAF CC[C@H](C)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 587956667 UFHMFRGSKYRLOF-SFHVURJKSA-N 419.573 4.119 0 1 HIAF COc1cc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)cnc1OC 653678792 ZYLSRWYAGYUONP-AWEZNQCLSA-N 420.465 4.159 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)N1 962940307 AFSFGVGWZPOTEA-NPMXOYFQSA-N 421.522 4.089 0 1 HIAF O=C1c2ccccc2[C@@]2(NCCc3ccc(O)cc32)[C@H]1c1nc2ccc(Cl)cc2[nH]1 963354958 ZMNVJKPDSKOOQL-QPPBQGQZSA-N 415.880 4.291 0 1 HIAF COC(=O)c1sc2ncc([C@@H]3N[C@H](C)Cc4c(OC)ccc(OC)c43)cc2c1C 963635134 LMQJUMOJMLEHKF-WYRIXSBYSA-N 412.511 4.032 0 1 HIAF COc1ccc(C(=O)[C@H](CC2CCN(Cc3ccccc3)CC2)C(C)=O)cc1OC 1772583634 ZIAWLNILNATLHN-JOCHJYFZSA-N 409.526 4.394 0 1 HIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@H](O)Cc2ccc(F)c(F)c2)cc1 1772600883 PGDLVWMBYBRVFO-MBSJRJCQSA-N 414.448 4.351 0 1 HIAF C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)CCn2cccn2)C1 1857652450 KEVRYSLPYCNVMJ-HZPDHXFCSA-N 416.447 4.492 0 1 HIAF COc1ccccc1C(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCCC2)C[C@@H]1C(C)C 2356319492 JOORLHNXSSDBOC-JAXLGGSGSA-N 412.574 4.292 0 1 HIAF CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@H](C)C[C@H](C)CC[C@@H](C)OC1=O 2356862852 UOAPDHMSZKCUEI-KEDMDAKRSA-N 424.626 4.072 0 1 HIAF COc1ccccc1N1CCN(C[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 13651320 HGYKXQBZRLHXPM-VWLOTQADSA-N 410.558 4.232 0 1 HIAF CCCc1cc(OC(=O)c2c(CCC)cc(OC)cc2OC)cc(O)c1C(=O)O 15122270 DVGFKUPJVKIPEQ-UHFFFAOYSA-N 402.443 4.232 0 1 HIAF biogenic COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(Cl)c(O)c(C)c2O)c(C)c1OC 15203268 MMOXVSMGSYNLDI-UHFFFAOYSA-N 422.861 4.308 0 1 HIAF biogenic COc1ccc2nccc([C@H]3CN(C4CCN(Cc5ccccc5)CC4)C(=O)O3)c2c1 28893534 LLIDEMDMIYDCFB-XMMPIXPASA-N 417.509 4.401 0 1 HIAF O=c1[nH]c2c(O)ccc(CCNCCCCCCOCCc3ccccc3)c2s1 38498675 ZMVSQESVVQLQPQ-UHFFFAOYSA-N 414.571 4.247 0 1 HIAF COc1ccc(CNCc2coc(-c3ccccc3Br)n2)cc1OC 72183135 MPEZGUHQJNFRRE-UHFFFAOYSA-N 403.276 4.411 0 1 HIAF O=C(N[C@@H]1COc2cccc(-c3ccncc3)c2C1)c1ccc(OC(F)(F)F)cc1 84689959 UCLANCKZRBWESY-INIZCTEOSA-N 414.383 4.381 0 1 HIAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)c1 100106356 UIOYYCLIEYTRKR-UBRQYEGLSA-N 402.469 4.081 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)n1 142125764 ZQJLDJHAAJGLLU-XHDPSFHLSA-N 400.870 4.161 0 1 HIAF Cc1cc2c(Br)ccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c2o1 587003748 MILOOBBBPHFWTR-UHFFFAOYSA-N 405.273 4.451 0 1 HIAF Ic1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587039822 FZKDUWXLYSRMBZ-HZPDHXFCSA-N 421.307 4.114 0 1 HIAF Cc1nc2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2cc1Br 587108647 NTCJZZWZYSSSNS-UHFFFAOYSA-N 400.154 4.413 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152539 PMTLXSITDDMUMD-GJZGRUSLSA-N 405.470 4.143 0 1 HIAF Cc1oc(-c2ccccc2)nc1C(=O)c1c(CO)oc2cc(Br)cnc12 587277083 YXSVSUJBXPIDTF-UHFFFAOYSA-N 413.227 4.277 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccco3)CC2)[C@@H]1c1ccc(F)cc1 587345438 PHINJLYGHDPLJH-OAQYLSRUSA-N 421.424 4.158 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(Cc3cccnc3)CC2)[C@H]1c1ccc(F)cc1 587348479 XOMRRVOWRAMVGC-QHCPKHFHSA-N 418.468 4.320 0 1 HIAF COC(=O)[C@@H](c1ccc(Cl)cc1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1 587368391 JHOATNSGWIPPPB-KRWDZBQOSA-N 421.840 4.061 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OCc3ccccc3)c3oc(N)nc3c1)O2 587388507 CGVISUJCWMRHOB-HXUWFJFHSA-N 415.449 4.586 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)CC4CCCC4)cc1)[C@@H](C2)C3=O 587448721 MGTNMPNXDWHUIK-WMZHIEFXSA-N 412.507 4.148 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)c2c(C)ccc(OCC(=O)O)c21 587481528 NAHJVOXKIWYPDV-LFPIHBKWSA-N 410.466 4.484 0 1 HIAF CC(C)(C)OC(=O)N1CCC12CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593099 JJHDFZJIPHFLPE-BIOCXDLKSA-N 423.465 4.266 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2Br)N1 587680599 HZZUHTKATVUPET-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2-n2cncn2)N1 587699304 SBYRUHVBPPVJSD-MGNBDDOMSA-N 421.701 4.446 0 1 HIAF COC(=O)N(C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 587741481 NKWGYZOYQSGBRB-MLGOLLRUSA-N 407.283 4.437 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc4c(cc32)OCCO4)N1 587834215 KDPPZKLFNNRTIN-BIBXISHDSA-N 404.279 4.083 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccccc2)on1 587867702 NANCOTWXHWTMJS-UHFFFAOYSA-N 414.343 4.316 0 1 HIAF O=C(NCC(=O)n1nc2cc1Oc1ccc(F)cc1-2)c1ccccc1C(F)(F)F 587873627 FHJQFRVTLBEVCS-UHFFFAOYSA-N 405.307 3.884 0 1 HIAF CC(=O)N1CCN(CCCCCCN2c3ccccc3Sc3cccnc32)CC1 653713193 ZXKPHFCJOIZGBZ-UHFFFAOYSA-N 410.587 4.409 0 1 HIAF O=C(Nc1ccc(C(=O)O)c(O)c1)Nc1nc2ccc(OC(F)(F)F)cc2s1 653869268 QQTMRMMCTZGXLO-UHFFFAOYSA-N 413.333 4.243 0 1 HIAF COc1cc2c(cc1OC)C1(CC(C(=O)O)(c3cccc(Cl)c3)C1)N(C)[C@@H](C)C2 962572711 QFJXRMFDRQCLJD-WVSTVCSASA-N 415.917 4.245 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2cccc(F)c2)C(=O)OC)cc1 1772630462 UXYYWGJVRZWIQM-KSFYIVLOSA-N 401.478 4.214 0 1 HIAF COc1ccc(NC(=O)c2cccc(/C=C3\CC(=O)N(c4ccccc4)C3=O)c2)cc1 1857548284 JAWOOMHTPHYBNB-XDJHFCHBSA-N 412.445 4.294 0 1 HIAF CC(C)[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)nc1)c1ccccc1 1857748827 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COc1c(-c2nc(C)c(-c3cccnc3)[nH]2)cc(Cl)c2[nH]c(CCC(=O)O)nc12 27520801 QPPVPJORQTYEQX-UHFFFAOYSA-N 411.849 4.003 0 1 HIAF CC(C)n1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82205421 WKMDWWQUGKETTI-KRWDZBQOSA-N 402.564 4.029 0 1 HIAF CCCOc1ccc2cc(-c3nn(CC4CCNCC4)c4ncnc(N)c34)ccc2c1 84672440 MKWIGRVAGAAHEM-UHFFFAOYSA-N 416.529 4.017 0 1 HIAF Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccc(C)c3)cc2)cc1 100093565 RNPHVUOZBPAGHC-LNWKWYTESA-N 418.562 4.099 0 1 HIAF CN1CCCC/C1=C1\N=C2CN=C(c3ccccc3)c3cc(Cl)ccc3N2C1=O 101172266 MECSLUXIUWHGCR-ZBJSNUHESA-N 404.901 4.263 0 1 HIAF S=C1NC2=C(CNC/C2=C\c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1 101679933 FALQBQVQYUEXOX-MXHVWWQHSA-N 402.350 4.453 0 1 HIAF CCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 115732240 LQWYPRJEEQNGHT-UHFFFAOYSA-N 409.507 4.338 0 1 HIAF COc1cc(F)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1 204158891 MNWKGVNSRZEIGC-UHFFFAOYSA-N 420.492 4.304 0 1 HIAF C[C@H]1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccc(F)cc2)CC1)OCO3 206545433 DEJBMNBBKYKYBW-INIZCTEOSA-N 410.489 4.374 0 1 HIAF Cn1c2c(c3ccccc31)CC(=O)N(c1cccc(F)c1)[C@H]2C(=O)NC1CCCCC1 299832839 WOJFETDRCCSIEX-XMMPIXPASA-N 419.500 4.397 0 1 HIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(F)c(Br)cc2[nH]1 587038301 GQBAPYJFSDBMBZ-UHFFFAOYSA-N 414.260 4.330 0 1 HIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(O)c(Br)ccc2[nH]1 587147854 SWHZQJRHEADHSB-UHFFFAOYSA-N 405.202 4.377 0 1 HIAF O=C1CCc2cc3nc(-c4cc(Cl)cc(I)c4)[nH]c3cc2N1 587183827 IYWPOEMMXLZXJM-UHFFFAOYSA-N 423.641 4.373 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccc(C)nc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O 587454156 VFPFOSJNTRRRSW-XDHUDOTRSA-N 418.518 4.222 0 1 HIAF CC(C)(C)OC(=O)NC[C@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510951 HXFVJKHUKXPENR-DEOSSOPVSA-N 415.530 4.221 0 1 HIAF Nc1cccc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540615 PTUCSOQRKJDDQY-PXNSSMCTSA-N 412.239 4.440 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)nc1F 587573258 YPMPEUOOPPNDMY-SIKLNZKXSA-N 406.413 4.229 0 1 HIAF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590300 SFKKDALKNUIMSQ-HYBUGGRVSA-N 415.401 4.124 0 1 HIAF COC(=O)c1c(Cc2ccc(F)c(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623048 XOOFAQHARQIVRH-UHFFFAOYSA-N 420.213 4.462 0 1 HIAF O=C(c1cc(-c2ccco2)on1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659904 JGEFQAYIOCKBDF-UHFFFAOYSA-N 401.353 4.139 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587707855 XHALUHGUDQIKGM-HSOHIQCKSA-N 420.269 4.316 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCN(C)C)(c2ccc(O)cc2)N1 587741433 NCZDKKBVOFAGDK-ZUOKHONESA-N 407.327 4.023 0 1 HIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1-n1cccn1 587756324 DASZXUHSHNNUKM-XIKOKIGWSA-N 401.283 4.101 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(c3ccccc3)C(=O)C2)N1 587769766 QDHGHRORWQUQNY-XCLFUZPHSA-N 403.295 4.145 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCCNC2)N1 587790398 CRTWBUXSMPIJAF-FNXXIHLHSA-N 403.339 4.366 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790925 KGZJTZSSUGTSOX-UGZDLDLSSA-N 409.299 4.283 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587810477 XMXUYBFCOUUNCB-OVWNDWIMSA-N 408.267 4.146 0 1 HIAF COc1ccc(OC(C)(C)C)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587944600 FFFBVXLVTRKUFA-UHFFFAOYSA-N 416.478 4.133 0 1 HIAF CC(=O)Nn1c(C)cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1C 962640682 MFFPYVUSUKNIPU-OZXSUGGESA-N 414.553 4.031 0 1 HIAF COc1cccc2cc3c(nc12)[C@@H](c1c(Br)ccnc1Cl)NCC3 963046531 KEDUXPUJGVEHCU-QGZVFWFLSA-N 404.695 4.289 0 1 HIAF CCCCC[C@@H](C[C@@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21)NC(=O)OC(C)(C)C 963492073 PWWGPSNHAVYOPX-BZSNNMDCSA-N 420.550 4.204 0 1 HIAF CN1CCC(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1 1857577927 CDYUJKAZAUMJHC-UHFFFAOYSA-N 402.498 4.117 0 1 HIAF CCC[C@H](CO)C[C@@H](O)C[C@H](CCc1ccc(O)c(OC2CCCC2)c1)OC(C)=O 2356651308 IMARHDCXFVQFGB-VWPQPMDRSA-N 422.562 4.128 0 1 HIAF O=C(NCc1cccnc1)c1cc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)on1 61897892 UXSMHDPZZWOCQD-IBGZPJMESA-N 424.888 4.020 0 3 HIAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccccc1F 767924 XGBSFNOGSUNUPL-UPVQGACJSA-N 418.468 4.285 0 1 HIAF CN1CC[C@H](c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)C1 6013360 NJAWBWFJLFGUHK-AWEZNQCLSA-N 419.344 4.060 0 1 HIAF CCC[C@H](NC(=O)[C@H](CSC(=O)c1ccccc1)[C@H](C)c1ccccc1)C(=O)O 26017790 SJKCRFUVZBJZMH-AHRSYUTCSA-N 413.539 4.349 0 1 HIAF CCCC[C@](C)(O)[C@H]1C[C@@]23C=C[C@]1(C)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 40741615 AWJZAGZCZVPFAX-YTJJRPKESA-N 409.570 4.175 0 1 HIAF CN(CCCN(C)c1cc(NC(=O)c2cccc(F)c2)ccn1)Cc1cccc(O)c1 45189915 DKGWWJFGUCNXPX-UHFFFAOYSA-N 422.504 4.137 0 1 HIAF CC(=O)N1CCC[C@]1(Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1 49125495 KZMHJOHYFXEQCA-NRFANRHFSA-N 405.416 4.372 0 1 HIAF Cc1c2ccccc2nc2c1c(=O)n(-c1ccccc1)n2CC(=O)N(C(C)C)C(C)C 73165197 IRYMHLOUOIDXQX-UHFFFAOYSA-N 416.525 4.294 0 1 HIAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc31)[C@@H]1CC[C@H](C2)N1 82158633 WSRBKUJVSSSBNG-DYVFJYSZSA-N 420.456 4.379 0 1 HIAF COC(=O)c1ccc(CNC[C@@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)cc1 95555955 VLIBCSTWKMRAPT-MPHOGZCYSA-N 423.509 4.105 0 1 HIAF Cc1cc(C)nc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1 96173144 RNLPJUPBLDTBNY-UHFFFAOYSA-N 415.541 4.051 0 1 HIAF CCOC(=O)[C@H](c1ccc(O)c(OC)c1)C(c1ccc(O)cc1)c1ccc(O)cc1 96931882 OCKWRKGUHWJMMI-HSZRJFAPSA-N 408.450 4.291 0 1 HIAF C[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)c1nc(-c2ccc(Cl)cc2)no1 142097275 CNIKHOMUXSBRCN-NSHDSACASA-N 414.853 4.088 0 1 HIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(OC(F)(F)F)ccc1Oc1ccc(F)cc1 143202553 XQOGUSYHWGLZNJ-UHFFFAOYSA-N 408.307 4.457 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OC4CCC4)cc3F)C2)cc1 169709186 YZDMPVLIBXUJNE-MGPUTAFESA-N 413.493 4.007 0 1 HIAF COC(=O)N[C@H]1CC[C@H](Nc2cc(N[C@@H](C)c3ccc(Cl)cc3)ncn2)CC1 254134359 NOZJPFNQHKLQRH-JQFCIGGWSA-N 403.914 4.382 0 1 HIAF CS(=O)(=O)c1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 586925027 DYDAOBXZPQCOGF-UHFFFAOYSA-N 419.222 4.415 0 1 HIAF Brc1ccc([C@@H](c2nc3cc4c(cc3[nH]2)OCCO4)N2CCCC2)cc1 586983963 BHOFPYFSQOVUID-IBGZPJMESA-N 414.303 4.282 0 1 HIAF COc1cccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586988032 VXVHFANSWZFRIY-UHFFFAOYSA-N 410.429 4.342 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586988093 YJDKXIMWIYWSHJ-LBPRGKRZSA-N 402.450 4.144 0 1 HIAF O=C1C[C@H](Cc2nc3c(F)cnc(Cl)c3[nH]2)c2c(Br)cccc2O1 587004211 RHIOPUKJEOEMOL-ZETCQYMHSA-N 410.630 4.148 0 1 HIAF O=C(Nc1nc(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1)c1cccs1 587019935 STVDRRKYPJVLGS-UHFFFAOYSA-N 420.422 4.246 0 1 HIAF CCOC(=O)c1cnn(-c2ccc(-c3nc4c(C)cncc4[nH]3)cc2)c1C(F)(F)F 587115525 YSVFGCZSBGIBBC-UHFFFAOYSA-N 415.375 4.315 0 1 HIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587162126 CYEXUHYIBMJOHB-UHFFFAOYSA-N 415.468 4.432 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]1c1ccc(F)cc1 587327523 GVPOQXNKNFOEAN-GCJKJVERSA-N 409.800 4.391 0 1 HIAF COc1cc(N)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587330319 BJFIAVJMERDEMV-LADGPHEKSA-N 423.440 4.405 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2nc[nH]n2)[C@H]1c1ccc(F)cc1 587334401 MIYDPGZIGQISCX-NZQKXSOJSA-N 419.387 4.091 0 1 HIAF C[C@@]1(c2ccc3c(c2)CNCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347073 LALIKGYOTRIWCZ-NOZRDPDXSA-N 403.453 4.451 0 1 HIAF CCOc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587351868 VMDYOFJEXARQME-XUZZJYLKSA-N 419.408 4.137 0 1 HIAF CCOC(=O)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379112 WZWLCNNZOZZOKD-KNQAVFIVSA-N 412.438 4.410 0 1 HIAF COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587410874 GVIJXHKUNRPXKN-RCZVLFRGSA-N 415.445 4.149 0 1 HIAF CCc1ccc([C@@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587519033 UAZKGKVPEBACPH-SANMLTNESA-N 405.538 4.321 0 1 HIAF Oc1ccc(CCCCc2nc3nc(O)nc(O)c3cc2Cc2ccc(O)cc2)cc1 587561044 MNRDYVLNXLDNEB-UHFFFAOYSA-N 417.465 4.003 0 1 HIAF COc1ccc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573096 ROTQDRGFQXYNHR-QOZHNYROSA-N 417.461 4.333 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616125 IEDLMTJODKYBMQ-MBSDFSHPSA-N 406.390 4.185 0 1 HIAF O=c1ncccn1-c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623736 NOLVQNNWXHQTHL-UHFFFAOYSA-N 406.243 4.020 0 1 HIAF O=C(n1ncc2ccc(Cl)cc2c1=O)C1(c2cccc(Br)c2)CC1 587651433 SYGJXPDUZHHEMY-UHFFFAOYSA-N 403.663 4.184 0 1 HIAF CC(=O)N1CCc2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587766013 LZNHSRUUBGLQQS-LAJNKCICSA-N 417.322 4.295 0 1 HIAF CCOC(=O)Cc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587794862 HTVYTCUNXDFYJC-ASSNKEHSSA-N 420.322 4.492 0 1 HIAF COC(=O)CC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587807236 LMQODVFXOAETFD-ZUOKHONESA-N 406.295 4.319 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)([C@H](O)c2ccco2)N1 587828661 OQAFIIDVYLMWNP-ZBJVWZGCSA-N 406.251 4.286 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1 587867725 NUCTUMBKELUYKZ-LLVKDONJSA-N 409.339 4.219 0 1 HIAF COC(=O)c1ccc(-n2c(OC)cc(-c3ccccc3)c2OC)c(O[C@@H]2CCOC2)c1 587924593 DXYCZYXXTRMNMT-GOSISDBHSA-N 423.465 4.116 0 1 HIAF COc1ccc(-c2cccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2C)c(OC)c1 587931727 SNKSOMPIKLBEIR-UHFFFAOYSA-N 424.478 4.469 0 1 HIAF Nc1ccc(-n2ccc(=O)c3c(=O)n(Cc4ccc(Cl)cc4)ccc32)cc1Cl 653889531 IUDZXUOXHRQOOK-UHFFFAOYSA-N 412.276 4.090 0 1 HIAF COC(=O)C(C)(C)C[C@H]1c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963862902 JLDGWUONHGVXJX-SJORKVTESA-N 419.518 4.262 0 1 HIAF O=C1N(CC2CCN(Cc3ccccc3)CC2)c2ccccc2[C@]1(O)c1ccccc1 1857593053 KMAVHHFYENQDNL-HHHXNRCGSA-N 412.533 4.181 0 1 HIAF O=c1c2cn(CC3CC3)nc2nc(SCc2cccc(F)c2)n1-c1ccccc1 1857645975 RWGNOPANNOQCKU-UHFFFAOYSA-N 406.486 4.424 0 1 HIAF O=C1CN(Cc2cccnc2)[C@@H](c2ccccc2)c2cc(Br)ccc2N1 1911573390 WWURHWBXNVUXII-NRFANRHFSA-N 408.299 4.388 0 1 HIAF COc1cc(OC)c2c(c1)O[C@]1(c3ccccc3)[C@H](c3ccccc3)C[C@@H](O)[C@@]21OC 2356570525 LPOCCMXPFMBZCP-MGRDPADOSA-N 418.489 4.382 0 1 HIAF CC(C)CNC(=O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356612152 VJYDYOYYSFAXSI-NJXQHIOYSA-N 405.538 4.217 0 1 HIAF COC(=O)[C@]1(C)C[C@H]1[C@H](NC(=O)c1ccc(Br)cc1)c1ccccc1 7992658 SLRWNXGUOLITNE-SQGPQFPESA-N 402.288 4.119 0 3 HIAF C[C@@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc23)C1 4909725 VRPPNBZAEUMDSY-ZGNKEGEESA-N 401.510 4.337 0 1 HIAF CC(C)OCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 4909865 WDSXYPVEAVGVNP-XZOQPEGZSA-N 419.525 4.010 0 1 HIAF O=C(OC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1 5063842 SKNOCZYQTNLZHQ-UHFFFAOYSA-N 401.506 4.130 0 1 HIAF O=[S@](Cc1cc(OCc2cc(F)cc(F)c2)ccn1)c1nc2cscc2[nH]1 13448753 OQHQYKFBSIKXIZ-MHZLTWQESA-N 405.451 4.184 0 1 HIAF Cc1cccc(-c2nc(CCOc3ccc(C[C@H]4SC(=O)NC4=O)cc3)c(C)o2)c1 26577609 ZFRHDQPMQDCYMW-HXUWFJFHSA-N 422.506 4.474 0 1 HIAF C[C@H]1CCCN(c2ccc(Cl)cc2C(=O)NCCc2ccc(C(=O)O)cc2)C1 27562082 KFVXXANBQKERJF-HNNXBMFYSA-N 400.906 4.247 0 1 HIAF Cc1cc(O)c2c3c4c(c(Cl)c(O)c13)C(C)(C)C(=O)c1c(O)cc(O)c(c1-4)C2=O 38427329 JYHZWDNLYJVWAX-UHFFFAOYSA-N 410.809 4.309 0 1 HIAF biogenic Cc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1 40395782 QTEZIDFJPMQZMB-UHFFFAOYSA-N 420.476 4.497 0 1 HIAF CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3ccccc3)CC2)o1 53314066 HIDXHPAUDVZZCN-UHFFFAOYSA-N 404.558 4.206 0 1 HIAF O=c1cc(CN(Cc2ccc(Cl)cc2)c2cnccn2)c2ccc(F)c(F)c2[nH]1 59097182 QAQBQANOVVCKFW-UHFFFAOYSA-N 412.827 4.457 0 1 HIAF COc1ccc(C(=O)N(CC(=O)Nc2cc(F)cc(F)c2)C2CCCCC2)cc1 72127787 WUYHLEOKEGRNPA-UHFFFAOYSA-N 402.441 4.387 0 1 HIAF COc1ccc(Nc2cc3c(cn2)nc(NCc2ccc(OC)c(OC)c2)n3C)cc1 82083019 DTCZOAFOIVYSFV-UHFFFAOYSA-N 419.485 4.350 0 1 HIAF Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(O)c1)n2C[C@@H]1CCCO1 82180141 OQPYHVDHJQPLDT-FQEVSTJZSA-N 415.497 4.298 0 1 HIAF Cc1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2C[C@@H]2CCCO2)o1 82187333 SZIYJCWBPKYPEV-SFHVURJKSA-N 421.476 4.367 0 1 HIAF O=C(NCc1ccccc1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccccc2F)cs1 82192236 PMKLTGWWENFIPI-IBGZPJMESA-N 421.501 4.012 0 1 HIAF COc1cc2ncnc(Nc3cc(F)ccc3Br)c2c(OC)c1OC 96916421 NLPYTIVLXJRGLT-UHFFFAOYSA-N 408.227 4.301 0 1 HIAF O=C(Nc1ccccc1Br)c1cnn2c1NC(=C1CC1)C=C2C(F)F 102875145 BFGMJVMDZAXEHA-UHFFFAOYSA-N 407.218 4.477 0 1 HIAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc2c(c1)OCO2 104039067 PDLNIEINDFPKHS-OAHLLOKOSA-N 411.483 4.483 0 1 HIAF CN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc21 169309891 XMYUQPZEVYTYAU-GDLZYMKVSA-N 424.909 4.027 0 1 HIAF C[C@@H]1c2ncn(-c3ncccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 218543609 ZINCTGFMRAWIIS-LLVKDONJSA-N 421.810 4.094 0 1 HIAF Clc1cnc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1Cl 586970379 YTRWZVXIZRKPGW-UHFFFAOYSA-N 422.253 4.336 0 1 HIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(O)ncnc2[nH]1 587086393 IRDPWVPQCVVXOO-SREVYHEPSA-N 401.257 4.089 0 1 HIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)C(F)(F)C1 587132506 RMCNLTNDIDLGFO-JTQLQIEISA-N 407.339 4.431 0 1 HIAF COc1cc2c3c(c1)O[C@](C[C@@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)[C@@H](C2)C3=O 587437844 LSIYRWIFFJUAPE-READRUSDSA-N 413.514 4.381 0 1 HIAF CC[C@@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438536 PWGCLQPOKURNJR-WLENULPWSA-N 401.503 4.381 0 1 HIAF COC(=O)[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587597366 YVYHCFPHUNGCRU-RQYMNKHTSA-N 416.429 4.300 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@H]3CCc4ccc(OC)cc4C3)nc2c1 587935870 VTFSBIYDFRXHBQ-LBPRGKRZSA-N 415.287 4.393 0 1 HIAF COC(=O)c1ccc([C@@]2(C(F)(F)F)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962640535 WPVLQCMPPHUTOD-ZSEKCTLFSA-N 423.431 4.173 0 1 HIAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)ccc1OCC(F)F 962640541 RFRLLXWOJZDIQY-ZSEKCTLFSA-N 407.457 4.322 0 1 HIAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]12CCc1cc(Cl)ccc12 963135086 CZJSWKALIAWIOB-QRWLVFNGSA-N 420.918 4.233 0 1 HIAF O=c1ccc2cc3ccoc3c(OCc3cn(Cc4ccc(Cl)cc4)nn3)c2o1 1772579555 CBVCWIMZCHCFBO-UHFFFAOYSA-N 407.813 4.411 0 1 HIAF O=C(O)CCN(Cc1ccc(C(=O)O)c(C(=O)O)c1)c1ccc(-c2ccccc2)cc1 1772613231 MLALHRCZTGXZHY-UHFFFAOYSA-N 419.433 4.231 0 1 HIAF COc1ccc(/C=C/C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1OC 1772614533 MKRZSSXYUAXPNH-XBXARRHUSA-N 411.889 4.147 0 1 HIAF NCc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)cc1 1857610654 WLVXMVISILIZAR-UHFFFAOYSA-N 408.461 4.188 0 1 HIAF COCCSc1nc(C)c(-c2ccnc(Nc3ccc(OC)cc3OC)n2)s1 1857636621 BDOBQFSRLPNYSJ-UHFFFAOYSA-N 418.544 4.408 0 1 HIAF Cc1c2c(c(O)c3c1O[C@]1(C)CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]1C3)C(=O)OC2 2356325328 XBGQHUQSZVWBPL-OWHAFPDJSA-N 400.515 4.278 0 1 HIAF COC(=O)c1cc(O)cc(OC)c1Oc1c(C(=O)O)cc(Cl)c(C)c1Cl 2356456481 GJQXBDZABFKPRH-UHFFFAOYSA-N 401.198 4.293 0 1 HIAF CN1OC[C@@H]2CN(Cc3ccc(Cl)cc3)[C@H](c3ccc(-n4ccnc4)cc3)C[C@@H]21 95599664 ITFDRLZHPZARQF-VJBMBRPKSA-N 408.933 4.335 0 3 HIAF O=C(NCCCCc1c[nH]cn1)NCC[C@@H](c1ccc(Cl)cc1)c1ccccn1 13490253 PWSIXOXFPXIHAG-FQEVSTJZSA-N 411.937 4.302 0 1 HIAF O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cccc3ccccc23)CC1 13823987 PPTMLGGLVHEJJN-UHFFFAOYSA-N 413.521 4.038 0 1 HIAF CN1C[C@@H](CN(C#N)Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccc(-n3ccnc3)cc12 26501670 SMNOKNRMZFBNMY-XUZZJYLKSA-N 424.552 4.200 0 1 HIAF Cc1ccc(CNc2nc(-c3ccc(S(C)(=O)=O)cc3)nc(Cl)c2C)cc1 29132028 CPWSVKDSMILXBD-UHFFFAOYSA-N 401.919 4.429 0 1 HIAF N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)Nc1ccc(Br)cc1 29416690 XPUWFEIEROXXOR-UHFFFAOYSA-N 415.122 4.417 0 1 HIAF CCn1c(=O)n(Cc2nc3ccccc3n2CC(=O)c2ccccc2)c2ccccc21 38142825 RNAYJGZKYUZQEJ-UHFFFAOYSA-N 410.477 4.104 0 1 HIAF CC(C)NC[C@@H](O)COc1c(Br)cc(Br)c2ccccc12 39234991 FRRHQXBBTMHANH-LLVKDONJSA-N 417.141 4.103 0 1 HIAF CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 39679547 QIZIQMNNPOJZNE-OHFALNGGSA-N 411.479 4.053 0 1 HIAF Cc1cccc(C(=O)Nc2ccnc(N(C)CCCN(C)Cc3cccc(O)c3)c2)c1 45228179 RFLTYCMHSHFBQA-UHFFFAOYSA-N 418.541 4.306 0 1 HIAF Cn1c(-c2ccc(NC(=O)CN3CCCC3)cc2)nc2cc(C(F)(F)F)ccc21 49072639 VOAPGYLKNBGGLF-UHFFFAOYSA-N 402.420 4.293 0 1 HIAF O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H](C(=O)N2CCCCC2)C1 50655853 MQFYIFZGBDXYCB-INIZCTEOSA-N 417.962 4.328 0 1 HIAF Cc1cc(N2CCOCC2)ccc1Nc1nc(CC2CCCCC2)c2nc[nH]c2n1 84669197 UFOPXKNUBMAMSC-UHFFFAOYSA-N 406.534 4.364 0 1 HIAF Cc1ccc2c(ccn2S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c1 96175177 HYOHFZVQACJCLG-QFBILLFUSA-N 405.523 4.028 0 1 HIAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1cccc(OC(=O)c2ccccc2)c1 100025664 HXSNZUIRROHKTP-HFBCPUAESA-N 421.449 4.327 0 1 HIAF Cc1nc(C)c(-c2ccc(-c3ccc([C@H](C)C(=O)O)cc3Cl)cc2)nc1C(N)=O 103298705 FZGICIRETWDLLK-NSHDSACASA-N 409.873 4.368 0 1 HIAF Cc1cc(OCCCN2C[C@@H]3CCN(C)[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 195366891 FGSBLNXBYOAEOJ-MBSDFSHPSA-N 422.548 4.391 0 1 HIAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](C1CCCCC1)(N1CCC[C@H](O)C1)C(=O)N2 219361552 CAAKCQJBYZDXBO-YADARESESA-N 409.530 4.143 0 1 HIAF C[C@@H]1Cc2c(-c3ccn[nH]3)n[nH]c2CN1C(=O)c1cccc(C(F)(F)F)c1Cl 225992619 YEIGAZPDXFPLAM-SECBINFHSA-N 409.799 4.059 0 1 HIAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@@H]12 253678797 QIJAKJCZCKPPNN-FLXSYLCISA-N 417.962 4.011 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cccc(OC)c3[nH]1)C(=O)OC2 586915411 MAPZXQOONXVYKS-MDWZMJQESA-N 422.481 4.386 0 1 HIAF CC1=C(c2ccc3nc(-c4cc5ccc(Br)cn5c4)[nH]c3c2)NNC(=O)C1 587006645 PIDKMVJHIJSPJD-UHFFFAOYSA-N 422.286 4.001 0 1 HIAF Cc1csc([C@](O)(Cc2nc3ccc(Br)c(C)c3[nH]2)C(F)(F)F)n1 587094327 PRDJYXQBJGJSFO-CQSZACIVSA-N 420.254 4.391 0 1 HIAF O=S(=O)(O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110078 MRTWOXKSDQCERA-UHFFFAOYSA-N 424.322 4.438 0 1 HIAF CCNC(=O)CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587230413 ISWGTPRYJHAYSJ-UHFFFAOYSA-N 422.382 4.042 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 587231350 NTSHRGGBBRCCLI-NEPJUHHUSA-N 414.731 4.015 0 1 HIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCN1CCCCC1 587400055 OKWRMKLQKJLBHB-QFIPXVFZSA-N 410.514 4.157 0 1 HIAF Cc1cc2c(cc1Br)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587500492 XGXJAQJVEZCLSF-NRFANRHFSA-N 412.283 4.449 0 1 HIAF COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587597356 YVCPTJOWPHAFDA-REWPJTCUSA-N 408.406 4.121 0 1 HIAF Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613776 YXUFOCHKCCWVEI-ZJSXRUAMSA-N 402.402 4.175 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2ccnc2)(c2ccccc2)N1 587758782 YGAMOFRDHHBYDR-JLTOFOAXSA-N 400.295 4.263 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CCN(C(=O)OC(C)(C)C)C2)N1 587771274 FVMMYMPHCBCPOL-HXPMCKFVSA-N 411.315 4.125 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCC(=O)O)c2)N1 587798430 XUCFFPUEXOZGFG-WLRWDXFRSA-N 408.267 4.065 0 1 HIAF O=C(/C=C\c1ccc(O)cc1)N1N=C(c2ccncc2)O[C@@H]1c1c[nH]c2ccccc12 653721967 VOFCTMJPMZNJDR-VWTHGPEQSA-N 410.433 4.201 0 1 HIAF COc1ccccc1[C@]1(c2cccc(F)c2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963024836 MEZYXVQGAGVKBY-CPJLOUKISA-N 402.469 4.180 0 1 HIAF O=C1c2ccncc2[C@@]2(c3c(F)cccc3C[C@H]3CCCN32)c2c(F)ccc(F)c21 963115206 VCJVTCKWOXZMSR-JBEBIEQOSA-N 406.407 4.356 0 1 HIAF CCc1ccc(C(=O)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)cc1 1857644238 CKYFGCJBJFUGBP-UHFFFAOYSA-N 402.542 4.500 0 1 HIAF COC(=O)C=C(OC)[C@@H](C)[C@@H](O)C=Cc1csc(-c2csc(C(C)C)n2)n1 2356618621 BHOYNBJAHBSDKO-WFASDCNBSA-N 408.545 4.104 0 1 HIAF CCN1C[C@H](CN(C)Cc2nc(-c3ccc(OC)c4ccccc34)oc2C)CC1=O 13596311 KWXHYSPESIQYET-KRWDZBQOSA-N 407.514 4.112 0 3 HIAF COc1cccc(CNc2nc3cc(-c4ccsc4)sc3c(=O)n2C)c1OC 61930336 RAKWQFNTFLMWAQ-UHFFFAOYSA-N 413.524 4.353 0 3 HIAF CC(C)(C)CNC(=O)c1cc2c(Br)ccc(Br)c2nc1N 95566694 PPQUSQALSXKXAB-UHFFFAOYSA-N 415.129 4.118 0 3 HIAF Cc1cccc(C)c1NC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1ccccc1 95570898 ORCULEGJWJQIRC-XMMPIXPASA-N 400.478 4.404 0 3 HIAF COc1ccc(-c2noc(-c3ccc(-c4ccccc4)cc3)c2C(=O)NCCO)cc1 2480882 BFYARHXVLHLONQ-UHFFFAOYSA-N 414.461 4.406 0 1 HIAF C[C@H]1CC(C)(C)NC(=S)N1CCCC(=O)Nc1ccc(OC(F)(F)F)cc1 3654926 SPZVHRMJXHFVPQ-LBPRGKRZSA-N 403.470 4.051 0 1 HIAF CN1CCN(c2cc3c(cc2Nc2ccccc2)[nH]c(=O)n3CC2CCCCC2)CC1 3942717 OHZVAMGTHJQJRP-UHFFFAOYSA-N 419.573 4.405 0 1 HIAF CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1Cl 13553230 OJELFRWBMVFUDD-KXBFYZLASA-N 401.938 4.031 0 1 HIAF Cc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccc(F)cc2)c(-c2cc(C)n[nH]2)c1 19718187 UAIAIQDPGGHCMW-UHFFFAOYSA-N 418.432 4.060 0 1 HIAF COC(=O)/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@@H](C)[C@H](O)CC=C(C)C)OC1 27892983 SBBZPGWQQLGDRR-UPIKLPJRSA-N 410.551 4.110 0 1 HIAF CCCCC(=O)O[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 27981057 DFJYFYDMJKZJIN-JSRCBNIJSA-N 404.547 4.340 0 1 HIAF CC(C)=CC(=O)O[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 27984940 IPTAYEGJXGBMNA-SYJHXPDWSA-N 402.531 4.116 0 1 HIAF O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1CC[C@@H](O)c1ccc(F)cc1 28707544 HVGDTPPMOCOEIL-DNVJHFABSA-N 409.432 4.461 0 1 HIAF C[C@H]([C@H](O)c1ccc(O)c(C(C)(C)C)c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952051 YFUQTKXRMIUUCZ-ZHRRBRCNSA-N 401.522 4.234 0 1 HIAF CC(=O)N(CCCF)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 29124108 AFERYSFBXAPRQW-UHFFFAOYSA-N 422.485 4.401 0 1 HIAF O=c1[nH]c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2c2c1CSCC2 49793964 SEPPFUUHMIHNJR-UHFFFAOYSA-N 406.551 4.361 0 1 HIAF COc1cc(CC(=O)NCc2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(C)=O 64436271 MDTKFBAQRAAEGA-UHFFFAOYSA-N 403.906 4.430 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)NCc3ccc(C(N)=O)cc3)co2)cc1 82069786 PLHOILMOZZCQPN-UHFFFAOYSA-N 421.497 4.330 0 1 HIAF CCN(C(C)=O)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 142929444 WPZDRSADWBNUIC-QGZVFWFLSA-N 402.498 4.316 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C4CCCC4)c3)C2)cc1 169709878 OTZRRYZXDUPJMB-MHECFPHRSA-N 422.573 4.315 0 1 HIAF C[Si](C)(C)C([Si](C)(C)C)S(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2)o1 205071519 HHVRVVPWTNDNJM-UHFFFAOYSA-N 417.079 4.428 0 1 HIAF O=C(c1ccn[nH]1)N1CCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C1 206218400 MAPGMLCBFKPFQG-UHFFFAOYSA-N 403.360 4.010 0 1 HIAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](Oc2ccccc2C(=O)O)CC1 253660915 UHXYWVLCWHQMMN-NLPDUPBUSA-N 412.530 4.343 0 1 HIAF CCCCNc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12 299852289 PXLGFMFFLQSIHL-UHFFFAOYSA-N 410.909 4.094 0 1 HIAF Nc1ccc(-c2ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3c2)cc1N 586966717 JVHPXQGNKQLOMZ-UHFFFAOYSA-N 415.482 4.132 0 1 HIAF FC1(F)Oc2cc3nc(CCc4nnc(-c5ccc(Cl)cc5)o4)[nH]c3cc2O1 587077609 XXPDEALZMFNSGZ-UHFFFAOYSA-N 404.760 4.373 0 1 HIAF Clc1ccc2ccn(Cc3nc4cc(I)cnc4[nH]3)c2c1 587081099 RWPRFIYHZDFBQL-UHFFFAOYSA-N 408.630 4.219 0 1 HIAF Cc1c(Cl)ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c12 587183409 XLIJGUPBVHDGCT-VIFPVBQESA-N 400.651 4.244 0 1 HIAF C[C@@]1(c2ccccc2-n2ccnn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344598 XFFQRXBLJMZINF-UPVQGACJSA-N 415.424 4.386 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)CCC(=O)O)(c1cccs1)CC2=O 587492937 DFTLSSKBIGQDIC-QFIPXVFZSA-N 416.495 4.481 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587588366 KAZLCQZCBGFMSO-YADARESESA-N 421.449 4.391 0 1 HIAF COC(=O)c1oc2c(c1C)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618956 VPYUQUBWPBTLPV-YADARESESA-N 420.417 4.274 0 1 HIAF O=C(O)Cc1c(-c2cc(F)cc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622669 QYEUYXVOIHXOAY-UHFFFAOYSA-N 406.186 4.379 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCc2ccccc2)N1 587758600 YMHMHWZXWAXJJQ-ZUOKHONESA-N 405.311 4.044 0 1 HIAF Cc1nn(-c2ccccc2)c(N)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587758622 QZTYIJASIBOJKD-WLRWDXFRSA-N 415.310 4.288 0 1 HIAF CC(C)Oc1cc2nc(CC(=O)OCc3ccccc3)[nH]c2cc1Br 587781364 IQEHFMYCYIIWQH-UHFFFAOYSA-N 403.276 4.399 0 1 HIAF CCOC(=O)c1cccc([C@@H]2CCC[C@@]3(C2)N[C@H](C(=O)O)Cc2cccc(F)c23)c1 962900403 QITQXBBWVKQKDS-WWEVIYMKSA-N 411.473 4.154 0 1 HIAF COC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962905226 ZBGDFPMWLAGGID-OFVILXPXSA-N 419.452 4.142 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2cc(F)c(F)c(F)c2)N1 962928058 QRQGBBGOWZNZNQ-PZJWPPBQSA-N 415.367 4.290 0 1 HIAF Cc1ccc([C@]2(c3ccccc3Br)NCCc3nc4ccccn4c32)nc1 962988340 YALCKSMXSADLAM-QFIPXVFZSA-N 419.326 4.238 0 1 HIAF CCc1nn(Cc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c(CC)c1CC(=O)O 1772634286 JFQYUPXVGXUKIQ-UHFFFAOYSA-N 423.904 4.275 0 1 HIAF O=c1ccc2cc3ccoc3c(OCc3cn(Cc4ccccc4Cl)nn3)c2o1 1772652665 GJVYUNVFIVDLBK-UHFFFAOYSA-N 407.813 4.411 0 1 HIAF CCc1nc2c(OCCOc3ccc(F)cc3)cccn2c1N(C)C(=O)c1ccco1 61907195 UONHQQQEJDPEOY-UHFFFAOYSA-N 423.444 4.363 0 3 HIAF COc1ccc(-c2cnn(C(C)(C)C(=O)Nc3cccc4cccnc34)c2)cc1OC 205229462 NNSQFUAUTKGFAG-UHFFFAOYSA-N 416.481 4.489 0 3 HIAF COc1cccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccc(F)cc2)c1 2724205 WFGLTZQLXVTHHL-HSZRJFAPSA-N 404.441 4.327 0 1 HIAF O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4208441 MTLMAUYBFGHICD-TZIWHRDSSA-N 410.857 4.220 0 1 HIAF COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2cccc(C)c2)C(=O)O)cc1 13445228 OOJNUFOQVSIKCK-QFIPXVFZSA-N 403.478 4.025 0 1 HIAF Cn1cc(C2=C(c3c4n(c5ccccc35)CCCCC4)C(=O)NC2=O)c2ccccc21 13861102 PMTQDTHDVBZNMC-UHFFFAOYSA-N 409.489 4.427 0 1 HIAF O=S1(=O)N(Cc2ccc(Cl)cc2)CCCN1Cc1cccc(C(F)(F)F)c1 20565320 JAJQILRMLHXIMD-UHFFFAOYSA-N 418.868 4.312 0 1 HIAF O=C1NC(=O)[C@@H](Cc2ccc(OCCc3csc(-c4ccccc4)n3)cc2)S1 26579805 IFMJJNFKMVOLGG-GOSISDBHSA-N 410.520 4.326 0 1 HIAF COc1ccc([C@@H]2CN(C)Cc3cc(OCC4CCN(C(C)C)CC4)ncc32)cc1 28883674 OLQOHRMMVIEWDK-DEOSSOPVSA-N 409.574 4.167 0 1 HIAF COc1ccc(/C=C2\CN(C)C[C@@H]3C2=NC(S)=N[C@@H]3c2ccc(OC)cc2)cc1 49771184 MHDJXWPTXRZFFJ-WJTFXVHJSA-N 407.539 4.131 0 1 HIAF COc1cc2nncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)c2cc1OC 59050114 PPAWFHDEPAUENY-UHFFFAOYSA-N 422.529 4.005 0 1 HIAF in-vitro Cc1ccc(C(=O)c2cnc(-c3ccccc3)n2S(=O)(=O)c2ccccc2)cc1 64511918 WLYQBYZEANJPCT-UHFFFAOYSA-N 402.475 4.327 0 1 HIAF COc1cccc(-c2ccc3nnc(-c4ccc(OCCCN(C)C)cc4)n3c2)c1 82082685 GLPGEOKSUUOXIF-UHFFFAOYSA-N 402.498 4.402 0 1 HIAF C[C@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 85606351 JZCHBJSHYLEUPN-CXMBCZLWSA-N 420.391 4.442 0 1 HIAF O=C(Nc1nc(-c2ccncc2)cs1)[C@H](Cc1ccccc1)NCc1cncs1 96284442 JREYUFKOFBWOPD-SFHVURJKSA-N 421.551 4.001 0 1 HIAF CC(C)OC(=O)N1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 143346283 OXKLOXKYKSQJDQ-NRFANRHFSA-N 420.431 4.132 0 1 HIAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCN3CCc4ccccc43)c2)c1 201552244 ZRQPVMKOCOSXOP-UHFFFAOYSA-N 413.481 4.162 0 1 HIAF C[C@@H](CO)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(/C=C/C(=O)O)cc1 473136443 RMZIARSKKBFMKY-IEGMAYJBSA-N 404.510 4.230 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CC(=O)OC5(C)C)[nH]c4c3)o2)cc1 586908320 JVWZLUKBCNXINW-HNNXBMFYSA-N 404.426 4.098 0 1 HIAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 586914405 VWTAXWGUWWMLAF-BEFAXECRSA-N 415.515 4.045 0 1 HIAF COC(=O)c1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c12 586949140 RBMIUFNHWJEYKZ-UHFFFAOYSA-N 421.478 4.126 0 1 HIAF COc1cc(/C=C/c2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1Br 586975352 AYBABTPOCMJUSF-WEVVVXLNSA-N 416.319 4.445 0 1 HIAF Nc1ncnc2nc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)[nH]c12 587031365 QXCZRXJMWJSGRV-UHFFFAOYSA-N 410.890 4.058 0 1 HIAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1S(N)(=O)=O 587101918 JNJMDTBRRMITFE-UHFFFAOYSA-N 414.486 4.377 0 1 HIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2N1 587124768 CHYGEEPONDOCAV-PWCHPLFNSA-N 401.295 4.055 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2ccnc(Cl)c2[nH]1)c1cc(F)ccc1F 587140146 HEDYHEVOFVMKRT-UHFFFAOYSA-N 420.828 4.357 0 1 HIAF Fc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)nc1Br 587156117 VMSDZQJWTRKKTN-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF COc1ccc(-n2cccn2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587583989 XTYPYAUKEWQHFQ-ZJSXRUAMSA-N 414.417 4.289 0 1 HIAF CC(C)N1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587594556 MUTBIQRXGXKZCX-YKSBVNFPSA-N 401.418 4.004 0 1 HIAF Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587612989 MABOPCMEVMTATE-DENIHFKCSA-N 410.447 4.484 0 1 HIAF O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 587659826 FEJMTLXPGYHKDS-KTYQWQPMSA-N 418.468 4.174 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(F)cc2)N1 587728947 GEXOVPPHINDMNB-NSPYISDASA-N 410.258 4.370 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc(N)cc3)C2)N1 587745000 IVDRBXAHVMRYMM-PYDTXJQDSA-N 417.322 4.437 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc3ccccc3c12 587792654 LVTUBVPALLZHQM-WSVYEEACSA-N 411.274 4.471 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cnccn3)s2)N1 587856771 XYZXOXYCMABJDS-JDNHERCYSA-N 405.296 4.125 0 1 HIAF CCOC(=O)[C@H](Sc1nc(C)nc2c1sc(=S)n2-c1ccccc1)C(C)=O 957877284 MDIBJEYQGBCGEZ-CYBMUJFWSA-N 419.553 4.133 0 1 HIAF CC(=O)c1ccc2c(c1)[C@@H](CSC(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962616698 AESUTYZMFXPKGM-ZWKOTPCHSA-N 407.532 4.318 0 1 HIAF CN(C)c1cccc(Cl)c1[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962658324 CNMLEYZYWAMLDC-NFBKMPQASA-N 409.917 4.142 0 1 HIAF CC(C)(C)OC(=O)Nc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962895322 IESSABLRYLZOHH-PGRDOPGGSA-N 400.450 4.035 0 1 HIAF CCc1ccc([C@]2(c3ccc(Cl)nc3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962908246 UPHYQDNMQURECU-WMZHIEFXSA-N 410.876 4.327 0 1 HIAF CCOC(=O)c1nocc1[C@@]1(c2ccco2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962941352 DRFBRMMOOAZPSW-PSLXWICFSA-N 405.454 4.142 0 1 HIAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)ss/c2=N/O)cc1N 1772578921 HPILANFZADDURE-XUTLUUPISA-N 420.512 4.050 0 1 HIAF Cc1cc(C(=O)O)nn1Cc1cc(C(F)(F)F)cc2cc(-c3ccccc3)nn12 1772656434 AWRHCSUWPCXAER-UHFFFAOYSA-N 400.360 4.272 0 1 HIAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c[nH]c4ccccc14)[C@@H]23 1857744372 AOQFMYQFTLUKHU-VTBBIAPYSA-N 409.574 4.186 0 1 HIAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C)[C@@]23O)c(O)c1 2356823190 GJPPYUYMBBOTKR-FNRGLFJOSA-N 400.515 4.388 0 1 HIAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)CCC[C@](C)([C@@H]2C[C@@H](O)C2(C)C)[C@@H]1C3 2356835958 KVWHDTKSQUQVHQ-PQIPUQFOSA-N 414.542 4.401 0 1 HIAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(N)c1 599445 GZGGYQMNFMHDFI-HXUWFJFHSA-N 406.357 4.414 0 1 HIAF NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1c(Cl)cccc1Cl 3654268 JMMANZNYVQEICS-UHFFFAOYSA-N 403.674 4.060 0 1 HIAF COc1ccc([C@@H]2CC(c3ccc(Br)s3)=Nc3ncnn32)cc1OC 13123559 RWPNYYDMCYLYAR-LBPRGKRZSA-N 419.304 4.233 0 1 HIAF CC(C)c1ccccc1Nc1cc(Nc2ccc(OC[C@@H](O)CN(C)C)cc2)ncn1 13537860 CBFCBMJPNCKBPX-IBGZPJMESA-N 421.545 4.389 0 1 HIAF O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1cccc(C(F)(F)F)c1 13607622 PDLRICHUZLNKIY-OAHLLOKOSA-N 423.460 4.282 0 1 HIAF CN(C)CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 13684893 DCQXVAIJRFQZJG-OAQYLSRUSA-N 402.947 4.465 0 1 HIAF C[C@H](c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 22939228 TURYEXIBCHPDSK-HXUWFJFHSA-N 414.557 4.060 0 1 HIAF O=C1NCN(c2ccccc2F)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2 26398322 TYKQGBBMCQQQOM-QFIPXVFZSA-N 401.485 4.005 0 1 HIAF COc1ccccc1CN1N=C(c2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C1=O 26572272 HVZVPGFXFPHGPA-RTBURBONSA-N 408.498 4.265 0 1 HIAF Nc1nc(N)c2c(OCC3CCN(Cc4ccc5ccccc5c4)CC3)cccc2n1 28971696 HDFUDCVAVFBSES-UHFFFAOYSA-N 413.525 4.238 0 1 HIAF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@H]1C(=O)CO 40504333 FKRMBGXNTOTQDI-RJELCWKXSA-N 411.369 4.297 0 1 HIAF CC(C)(C)NC(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103496 YBAVFWWTDQXMDS-HXUWFJFHSA-N 400.954 4.387 0 1 HIAF COc1ccc2[nH]c(COc3cccc(OCC4CCOCC4)c3)c(C)c(=O)c2c1 73169487 QNAHKNKLDYYZQN-UHFFFAOYSA-N 409.482 4.230 0 1 HIAF C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCC1CCCCC1 82083111 BTCWALKKWHAORB-MRXNPFEDSA-N 405.498 4.310 0 1 HIAF CC(C)Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCN1CCCCC1 82180871 ZTTPSTUURZGFQX-UHFFFAOYSA-N 424.568 4.304 0 1 HIAF COc1ccc(-n2cnc3c(sc4ncnc(Nc5ccc(C)cc5)c43)c2=O)cc1 95561747 NIWOUVXKABJPPE-UHFFFAOYSA-N 415.478 4.451 0 1 HIAF O=C(N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C1(c2ccccc2)CC1 101637750 LGICFMDDKHYJDL-REPLKXPHSA-N 416.550 4.053 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)C)c1C 103228756 BEXZFOIZBGPZMM-PIIMJCKOSA-N 412.490 4.200 0 1 HIAF Nc1ncn(Cc2ccccc2)c2nc(SCCOc3ccc(Cl)cc3)nc1-2 103628790 NSZNRZNRDVPDOQ-UHFFFAOYSA-N 411.918 4.233 0 1 HIAF O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2Cl)cc1 115731471 VQAFOLRSTGNMJM-UHFFFAOYSA-N 415.898 4.429 0 1 HIAF Cc1cccc(N2CCN([C@@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)c1 170112527 ZQGONMVBCAYDDT-RUZDIDTESA-N 412.653 4.153 0 1 HIAF CC(C)(COc1ccc(-c2cnc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2)cn1)C(=O)O 204762470 UBNHDNOPDQRQOV-UHFFFAOYSA-N 424.354 4.181 0 1 HIAF CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C 299875165 COPFLTKCKHKKSY-AZUAARDMSA-N 406.578 4.479 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc3c(cc2[nH]1)OCCCO3 587042722 LGDTUHLWVKVKBR-QGZVFWFLSA-N 401.875 4.033 0 1 HIAF COC(=O)c1ccnc2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc12 587127858 AYFDTYGVDRSXCY-RXMQYKEDSA-N 405.739 4.079 0 1 HIAF COc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cn1 587130140 FOYNZUZEILFMQI-UHFFFAOYSA-N 422.395 4.184 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)C[C@H]1CCCO1 587197532 QGVPHDVKGVZVGV-SNVBAGLBSA-N 401.294 4.181 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4ccc(C(=O)O)cc41)[C@@H](C2)C3=O 587452858 MDNQMMQVUJVDIC-BXKMTCNYSA-N 400.386 4.190 0 1 HIAF CCc1ccc([C@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587519032 UAZKGKVPEBACPH-AREMUKBSSA-N 405.538 4.321 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)c(F)c1 587556158 VEYREIFLEDDHCN-NZQKXSOJSA-N 402.381 4.420 0 1 HIAF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cnccc21 587587587 OZCLKOSOOPVTIH-ATIYNZHBSA-N 421.408 4.237 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1cccc(C2OCCO2)c1 587619566 YEPIJKIYKKBJSS-RBBKRZOGSA-N 418.445 4.401 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCc2ccc(F)cc2)N1 587735127 PJAIKTYLCCOMFO-FKIZINRSSA-N 423.301 4.183 0 1 HIAF Cc1ccc([C@]2(c3nccn3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587757071 URGLQVPSNKURBZ-SZNDQCEHSA-N 414.322 4.456 0 1 HIAF CCOC(=O)CC[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587771318 BVRWFQPGHUBILS-XCLFUZPHSA-N 421.310 4.104 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCC(=O)O)cc2)N1 587790779 GMSGGVPYEYXGHD-JEOXALJRSA-N 408.267 4.065 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(C)o2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832154 YUGORUKWOIJFFB-NSPYISDASA-N 410.283 4.221 0 1 HIAF CCOC(=O)c1csc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587856076 XUEUBNIKMPPVQZ-XLFHBGCDSA-N 413.312 4.019 0 1 HIAF Nc1nccn2c(-c3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)cnc12 653786692 MVWOXRMUUKNFML-UHFFFAOYSA-N 413.359 4.129 0 1 HIAF Cc1cccc2c(Cn3cc(CSc4nc5ccccc5[nH]4)nn3)cc(O)nc12 1857557029 MAKDBXORRXYYHL-UHFFFAOYSA-N 402.483 4.057 0 1 HIAF COc1ccc(CC(=O)n2nc(OCCCN3CCCCC3)c3ccccc32)cc1 1857560612 ZBCHIUUIHNLGDU-UHFFFAOYSA-N 407.514 4.183 0 1 HIAF COc1cc2c(cc1OCCCC(=O)Nc1cccc(C)c1)N=C[C@@H]1CCCN1C2=O 1857566247 WKORZYGQAKAVDG-SFHVURJKSA-N 421.497 4.122 0 1 HIAF O=C(Nc1ccc(N2CCOCC2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 1857760385 XPBIBACURKJLNO-UHFFFAOYSA-N 407.417 4.404 0 1 HIAF CCCOc1ccc(C=C[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC 2356603463 HMMGEETVMNGHAC-VWLOTQADSA-N 406.526 4.430 0 1 HIAF CSc1ccc(CN2CC[C@]2(C)C(=O)NCc2ccccc2Br)cc1 61902987 NYWBHDSFQZOCPR-HXUWFJFHSA-N 419.388 4.452 0 3 HIAF COc1ccc(C(C)=O)cc1CN1C(=O)[C@@H](C)ON=C1c1cccc(C(F)(F)F)c1 61905598 YYNZLBFSHYKILR-CYBMUJFWSA-N 420.387 4.026 0 3 HIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cncnc3)cc2)c1C 838996 ZKNCHNYMKZIRER-UHFFFAOYSA-N 406.467 4.216 0 1 HIAF COc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(=O)O)cc1 13818756 PYLQHQVUGWACLR-FQEVSTJZSA-N 409.869 4.441 0 1 HIAF CCN(CC)Cc1ccc(C(=O)N(CCc2ccc(Cl)cc2)[C@@H]2CCNC2)cc1 28823632 FUYGSVMPRFVNAM-HSZRJFAPSA-N 413.993 4.229 0 1 HIAF CC(=O)Nc1ccc(Nc2nnc3cc(-c4cc(O)ccc4Cl)cc(C)c3n2)cn1 35951615 VLWSURYZZHVLKO-UHFFFAOYSA-N 420.860 4.456 0 1 HIAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)C(=O)C[C@H]1n1ccnc1 40917592 BSCLOEYKOFPVRZ-VLTJKTHFSA-N 402.535 4.328 0 1 HIAF COc1ccc(-n2cc(-c3ccc(C(N)=O)cc3)nc2-c2cccc(C)n2)cc1F 43059290 RILXVFAJZKPMDN-UHFFFAOYSA-N 402.429 4.156 0 1 HIAF C[C@@]1([C@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O 72177815 NULRLJVQRLNULH-PBHICJAKSA-N 400.258 4.273 0 1 HIAF CC[C@@H](C)Nc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccc(F)cc2)n1 82141680 YUGIGRCOCQPVIC-MRXNPFEDSA-N 422.504 4.474 0 1 HIAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCC(=O)N1Cc1ccccc1 95565682 SIHWHBDEWHCWCW-MRXNPFEDSA-N 410.823 4.166 0 1 HIAF NC(=O)C[S@](=O)C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 103246717 PDBZCRSGVBDGAF-HHHXNRCGSA-N 409.351 4.048 0 1 HIAF COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)c1 103538988 RUSMQZVFVZPBMH-QGZVFWFLSA-N 400.504 4.325 0 1 HIAF Cn1cc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c2ccccc21 143390344 WBEJKZXYXUNDKM-UHFFFAOYSA-N 400.887 4.056 0 1 HIAF Cc1cc(C2CCC2)c(C(N)=O)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1 220775162 KHAFAAXMEKSHRQ-UHFFFAOYSA-N 401.510 4.253 0 1 HIAF Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Oc3cccc4ccccc34)C2)c1 299870945 XGJFQXRSZAUGJO-HXUWFJFHSA-N 412.493 4.413 0 1 HIAF COc1ccc(/C=C(/C(=O)N2CC(=O)Nc3ccccc32)c2ccc(OC)cc2)cc1 473089699 LKIFHIDVFOTVJU-RCCKNPSSSA-N 414.461 4.230 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CCO)cc3[nH]2)C[C@H]2CCCC[C@H]21 587026143 KFKICLLKZIJQOK-UIFIKXQLSA-N 409.555 4.234 0 1 HIAF O=S(=O)(Nc1ccsc1-c1nc2cncc(Cl)c2[nH]1)c1ccc(F)cc1 587169857 CORCAFNIDBBWAK-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF COC(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328615 BDPUPEBOUOIIFC-ISKFKSNPSA-N 424.399 4.488 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)Nc3ccccc3)cc1)O2 587391042 RRGYOUPHYNDVBG-JOCHJYFZSA-N 402.450 4.301 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccc4c1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587445713 XSUOGPKVVAOYOZ-HTAPYJJXSA-N 407.466 4.435 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(COc1ccc4c(C)c(C)c(=O)oc4c1)[C@@H](C2)C3=O 587454102 RQFAOOUKIQZUNU-MHECFPHRSA-N 406.434 4.004 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(OC(=O)NC)c2OC1(C)C 587471424 SORJFTNBPOACRA-QHCPKHFHSA-N 411.454 4.095 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccn2)N1 587676700 FMAIFFFAHOOGME-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3ccc(Cl)cc32)N1 587703761 ZUMBOLBEIINPQI-LZVRBXCZSA-N 410.670 4.329 0 1 HIAF CCOC(=O)[C@H](C(F)(F)F)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587710282 RJMJVFWRNOUDDI-ZBVHDKTDSA-N 412.221 4.079 0 1 HIAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C 587739379 GSUOSQCJPHEGEM-FKIZINRSSA-N 407.327 4.282 0 1 HIAF COc1ccccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587743021 MZPAPHDZMKMOEH-MPBGBICISA-N 421.310 4.375 0 1 HIAF COc1cc(OC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587807812 NPQXYBLAZVDWJR-GIGQVBGESA-N 410.283 4.238 0 1 HIAF COC(=O)c1c(C)[nH]c2c1[C@@]1(CCC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962699478 IIXOTZZIQCQNCV-NPMXOYFQSA-N 414.546 4.192 0 1 HIAF COc1c(Cl)cccc1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962703385 IRXNOYUWVPUACL-GJZGRUSLSA-N 403.759 4.195 0 1 HIAF C[C@H](N)C[C@@]1(c2cccs2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951497 FCXGUQZFYGFMNH-VBKZILBWSA-N 410.505 4.399 0 1 HIAF C[C@H](Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl)c1cccnc1 1857559957 QTEMPVGNCZGUQZ-JTQLQIEISA-N 412.899 4.305 0 1 HIAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C)nn3C)c12 1857631808 JRFXULLDFVTRIY-UHFFFAOYSA-N 417.473 4.485 0 1 HIAF CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@@]2(C)[C@H]1CCC1=CC(=O)OC1 2356446283 DJNBAZMKPVTPNB-RGKFVRLKSA-N 418.530 4.435 0 1 HIAF CC[C@H](C(=O)Nc1ccccc1F)N1C(=O)CN=C(c2ccccc2)c2ccccc21 6769263 KBIJOCKWKSBPRM-OAQYLSRUSA-N 415.468 4.427 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COc1ncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)cc1F 117436512 ZYUJERAVFWUVMN-UHFFFAOYSA-N 415.831 4.496 0 1 HIAF O=C1CCCCN1CCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144836658 HOAWAVQSYJNAKB-OAQYLSRUSA-N 405.416 4.247 0 1 HIAF COC(=O)CC/C=C/CC[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/C[C@@](C)(O)/C=C/C1=CCCC1 169692595 ZZVPHCPLTZTOBC-UJJHQFDWSA-N 416.558 4.206 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCC2CCCC2)c1 169707076 VNDDBSZJRVOIAO-HXUWFJFHSA-N 408.546 4.158 0 1 HIAF CCOc1cc(/C=C/c2nc3ccnc(OC)c3[nH]2)cc(Br)c1OC 586978502 UTJBQUBOMGORAY-AATRIKPKSA-N 404.264 4.307 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587043159 POISFSVHKUQLTA-QMMMGPOBSA-N 401.772 4.428 0 1 HIAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cccc(Br)c4[nH]3)n2)cc1 587113308 PHKHJDQAYPXDEO-UHFFFAOYSA-N 423.196 4.046 0 1 HIAF CCOc1cc(/C=C/c2nc3ccc(S(C)(=O)=O)cc3[nH]2)ccc1OC(F)F 587129733 FQAICHYYJDPFBB-WEVVVXLNSA-N 408.426 4.137 0 1 HIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Br)cnc3[nH]2)c1 587240977 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403.339 4.366 0 1 HIAF CSc1ncc2c(n1)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587844238 LDJJIXPVVGZNQX-MLCYQJTMSA-N 408.340 4.214 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCN(C(C)=O)C1 587860151 PTQMMUGPRYRSTQ-CYBMUJFWSA-N 410.301 4.154 0 1 HIAF COc1ccccc1[C@]1(c2cccc(C)c2)NCCc2ccc(C(=O)N(C)C)cc21 962922559 KKSWBLZTROVLHY-SANMLTNESA-N 400.522 4.143 0 1 HIAF CN1CCO[C@](OCCCO[N+](=O)[O-])(c2ccc(-c3ccc4ccccc4c3)cc2)C1 1857568776 AMEBGLBGLYSLBF-DEOSSOPVSA-N 422.481 4.237 0 1 HIAF COC(=O)C1=C[C@@H]([C@@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2OCCC[C@H]12 36381785 COSCUZRDNFVXDW-VULJSJLBSA-N 409.320 4.297 0 3 HIAF CCN(Cc1ccncc1)Cc1ccc2c(c1)CN(C(=O)c1ccccc1)CCO2 11787314 HUHHPMLQTWJOPY-UHFFFAOYSA-N 401.510 4.139 0 1 HIAF COCCc1ccc(OC[C@H](O)CNC(C)(C)CSc2ccccc2C)cc1 28127285 ZSJYLHFTWWCDJB-HXUWFJFHSA-N 403.588 4.084 0 1 HIAF COc1ccc(-c2nc([S@](=O)CC(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1 40505721 BZOKCDVZVJJLEH-NDEPHWFRSA-N 410.417 4.431 0 1 HIAF COc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)Oc4ccccc4)c32)cc1 40619912 KDCNHHKSRSWSED-UHFFFAOYSA-N 424.478 4.058 0 1 HIAF O=C(O)[C@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2ccccc21 45364157 OWHGPTIAUNTCGK-BPFLIOHISA-N 408.542 4.126 0 1 HIAF O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 49037105 RLKMYAFETBKMKT-UHFFFAOYSA-N 412.468 4.398 0 1 HIAF CCCCCCc1ccc(O)cc1OCCCCCCCC(=O)OC(CO)CO 73159877 YAEAQUQAXZTTPU-UHFFFAOYSA-N 410.551 4.131 0 1 HIAF NC(=O)c1ccccc1Nc1cc(Oc2ccc3c(c2)OCO3)ncc1C(F)(F)F 73163956 ZDJZJCGVCBBGDA-UHFFFAOYSA-N 417.343 4.464 0 1 HIAF O=C(CSc1nncnc1-c1cccc2ccccc12)N1CCc2ccccc2C1 95563231 FPUSRYKNXQXZHU-UHFFFAOYSA-N 412.518 4.369 0 1 HIAF Nc1cccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3)cc2)c1 95573699 HMQMCWVZAOTEDW-UHFFFAOYSA-N 408.841 4.214 0 1 HIAF O=C(Cc1ccc(F)cc1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 115650803 QJVBXBQBZZZSRJ-XMMPIXPASA-N 420.871 4.221 0 1 HIAF O=C(NN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C1=O)c1ccccc1 137667366 SFBZTOORZNQQMW-KIHHCIJBSA-N 422.484 4.070 0 1 HIAF Cc1ccc(C(=O)N[C@@H]2CCOC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144376148 QGCZJCLYDBEEPE-OAQYLSRUSA-N 415.493 4.077 0 1 HIAF CC[C@H](C)C(=O)O[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 144784646 PCZOHLXUXFIOCF-PLBAGLBTSA-N 404.547 4.196 0 1 HIAF COc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169696160 KBXXEARFOZLUON-NHCUHLMSSA-N 411.523 4.306 0 1 HIAF CC(C)=CCc1c2c(cc3c1OC[C@@](O)(c1ccc(O)cc1O)C3=O)C=CC(C)(C)O2 198496896 UQZTYWFYJFFKMY-RUZDIDTESA-N 422.477 4.254 0 1 HIAF N[C@H]1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)CC1 205261968 GIWBSVUHLIJMSE-HNNXBMFYSA-N 402.477 4.144 0 1 HIAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)N[C@H](C)CN(C)C 299876319 FLKLMFOVJUXKRI-ZPMCFJSWSA-N 403.567 4.166 0 1 HIAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 586944484 SUBVMGRMFQLEFF-UHFFFAOYSA-N 417.943 4.466 0 1 HIAF O=C1C[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587147815 BRHBUKVMUIZSAC-NSHDSACASA-N 411.330 4.256 0 1 HIAF COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H](N=O)C2 587331054 ACHWSUIXVFXELD-ZDXQCDESSA-N 419.408 4.485 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338941 PARDHBIDGLCXNQ-UPVQGACJSA-N 421.424 4.134 0 1 HIAF Nc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587340123 VCOYPQAFGHXAQF-UPVQGACJSA-N 421.424 4.233 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(C)c(Br)c21 587459803 PVMAEFRWDBCJJQ-FQEVSTJZSA-N 416.271 4.228 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)CC1(F)F)CC2=O 587468681 YZQXQTSZHOENSE-HXUWFJFHSA-N 411.445 4.325 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Br)ccc(F)c21 587470251 GBQSSSRBXGQRHL-IBGZPJMESA-N 420.234 4.059 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccccc2F)c1 587566913 BVNNPDCZGKBDQE-REWPJTCUSA-N 402.381 4.420 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC(O)CC2)cc1 587582884 OVYKKCZVNCSHNF-DHLKQENFSA-N 417.461 4.056 0 1 HIAF O=C(CSc1ccccc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658068 JUGDEWAWQVZHAI-UHFFFAOYSA-N 424.428 4.480 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3cccc(Cl)c3)n2)N1 587697489 GSHJGMAFZRWRAP-MGNBDDOMSA-N 421.701 4.446 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCC3=O)c2)N1 587766370 GLRWHMJVNGPBHJ-FKIZINRSSA-N 403.295 4.123 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)O)nn3ccccc23)N1 587797733 SBRCMKSCPRCILJ-VOJFVSQTSA-N 418.310 4.087 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587802539 MRAMAISXLUFSFB-APBUJDDRSA-N 417.278 4.480 0 1 HIAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]12CCc1cc(Cl)ccc12 963135081 CZJSWKALIAWIOB-FOIQADDNSA-N 420.918 4.233 0 1 HIAF Cc1ccc(C)c(N2CCN(c3nc4ccccc4c(=O)n3Cc3ccccc3)CC2)c1 4924303 DFJZVOWOHIBWTF-UHFFFAOYSA-N 424.548 4.388 0 3 HIAF aggregator Cc1ccc(Cn2c(Br)nc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 585146 XOBHEUHPRJVTJY-UHFFFAOYSA-N 414.229 4.030 0 1 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 772520 XQYYSAZSKXQKAP-UNMCSNQZSA-N 405.885 4.330 0 1 HIAF COc1cc2c(cc1OC)C[C@H](NCCC(c1ccccc1)c1ccccc1)[C@@H](O)C2 27720925 ZDDQYDGPVSLKGX-DQEYMECFSA-N 417.549 4.344 0 1 HIAF CNCc1cc(C(=O)N2CCN(C3CCC3)CC2)ccc1Oc1ccc(Cl)cc1 29130902 LKRPIMOVLOWXBL-UHFFFAOYSA-N 413.949 4.162 0 1 HIAF CC(C)Cc1ccc(-c2nc(COc3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 36178501 UTXBVDDHKJIOBJ-UHFFFAOYSA-N 421.497 4.031 0 1 HIAF O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1 40576772 FZQRWGRFKDAQAI-UHFFFAOYSA-N 406.357 4.326 0 1 HIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CN1CCCC1)CC3=O 45254048 LTLBITMQNYBDRF-INIZCTEOSA-N 423.509 4.359 0 1 HIAF Nc1nccc(-c2ccc3nc([C@H]4COc5c(Br)cccc5C4)[nH]c3c2)n1 48999199 ILTFMDQECSAXKB-CYBMUJFWSA-N 422.286 4.083 0 1 HIAF COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](OC)[C@@H](C)[C@@H](C)C2 49088571 ZSRXTAWAFTULPM-SYTFOFBDSA-N 418.486 4.315 0 1 HIAF biogenic O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2ccc3ccccc3c2)CC1 53298202 TWCGZXVALWJNMI-UHFFFAOYSA-N 402.494 4.097 0 1 HIAF CC(C)=CCc1cc(C(=O)CC(=O)c2cc3c(cc2O)O[C@@H](C(C)(C)O)C3)ccc1O 157667744 JRPKQDXVDWAKIZ-XMMPIXPASA-N 424.493 4.137 0 1 HIAF COc1cc(C(=O)O[C@H]2CCC3=C(C2)C[C@H](N2CCCCC2)C3)cc(OC)c1OC 169343103 QQDPQVJKMPLQGN-UXHICEINSA-N 415.530 4.367 0 1 HIAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccc2ccccc2c1 169351556 AWCJAIAODQJOOF-LUXMVIMSSA-N 420.505 4.424 0 1 HIAF CC(C)(C)c1ccc(OCCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 205943531 WIIDARSISDDYHB-UHFFFAOYSA-N 405.542 4.302 0 1 HIAF C[C@H](C[C@@H]1CC[C@H]([C@H](C)Cn2cc(-c3ccccn3)nn2)O1)OC(=O)c1ccccc1 253920652 JMQXMAWLGSWGBC-YGLGAKQISA-N 420.513 4.159 0 1 HIAF COc1cc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)ccc1Oc1ccccc1 261074904 ASSBVLOAZRWYGK-ONEIWYMKSA-N 416.481 4.408 0 1 HIAF COc1ccc(-c2c(-c3cc(Br)c(O)cc3O)noc2NC(C)=O)cc1 299835776 LPNPUVWHHAMBGR-UHFFFAOYSA-N 419.231 4.149 0 1 HIAF COc1cc(CNCCc2c(C)[nH]c3ccc(Br)cc23)cc2c1OCO2 473085573 YBGPDFRIVGTCOT-UHFFFAOYSA-N 417.303 4.308 0 1 HIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587068667 AXFVWSMPBOIKDH-SECBINFHSA-N 400.107 4.312 0 1 HIAF Cc1cc2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c(C)n1 587107455 ANTWFZABKBZZST-HNNXBMFYSA-N 424.448 4.119 0 1 HIAF N[C@@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(Br)cc1F 587142899 PZHJYFZGHMXPJP-JTQLQIEISA-N 404.070 4.409 0 1 HIAF N[C@@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(Br)cc1F 587145268 VMQCJGQDDNIAKK-AWEZNQCLSA-N 418.245 4.032 0 1 HIAF CSc1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1 587185665 MJSLXOFNENLTGU-CYBMUJFWSA-N 409.296 4.132 0 1 HIAF CC(C)(C)C(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587337745 BLSKIJIZOOKREW-HXUWFJFHSA-N 411.473 4.298 0 1 HIAF O=C(O)c1ccc2c(c1)OC=C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355714 GEQUUTAYKGWLDO-XUZZJYLKSA-N 418.376 4.390 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ncc1Br)O2 587373612 RTDCYASHOLZNSU-ZDUSSCGKSA-N 412.081 4.204 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c1)O2 587391297 MJLPSNTWPLHKBS-DPOKWSEZSA-N 418.493 4.137 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCOC)c(OC)c1)CC2=O 587484755 VAWZWOBZKRRLOP-QHCPKHFHSA-N 400.471 4.259 0 1 HIAF C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587512927 GPMVXWMXJWWXHX-NVQXNPDNSA-N 417.505 4.427 0 1 HIAF O=C(O)CC[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535829 OGXRICRAQWNWAH-DEOSSOPVSA-N 408.450 4.062 0 1 HIAF COC1=C(Br)[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587542550 HLMNIOXSHHYYIZ-DNVCBOLYSA-N 403.228 4.139 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ncc[nH]1 587574049 YIFCWDHZERPDMV-WMZHIEFXSA-N 402.381 4.160 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2Br)N1 587680356 PNODDUGTDNLJOR-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF COc1ccc(-c2ccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c(O)c2)cc1OC 587927644 VITKBERLLWHKKO-UHFFFAOYSA-N 408.385 4.457 0 1 HIAF Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1 653698644 SXYMVBQECMWEMV-UHFFFAOYSA-N 415.236 4.078 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@@](C)(c3c(-c4ccccc4)nn(C)c3Cl)c3cccc1c32 963031584 REKFWUAQCNFGOT-IQMFZBJNSA-N 406.917 4.057 0 1 HIAF Cc1cc(=NC(=O)C2=NN(Cc3ccc(Cl)cc3Cl)[C@@H]3CCCC[C@H]23)cc[nH]1 1772587616 KYTWPSNBOPLVOE-PKOBYXMFSA-N 417.340 4.488 0 1 HIAF Cc1noc(C)c1S(=O)(=O)N(Cc1ccc2c(c1)C=CC(C)(C)O2)C1CCC1 1772637007 PVRZTZJJYNXNGW-UHFFFAOYSA-N 402.516 4.219 0 1 HIAF Cc1ncoc1C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 1857559650 XOXBBAOTFRMSHB-UHFFFAOYSA-N 400.360 4.074 0 1 HIAF O=C1/C(=C/c2cccn2Cc2ccccc2)CC[C@@H]2[C@H]3CCCN4CCC[C@H](CN12)[C@@H]34 1857650122 NCKMMDZVBGBNLH-UFXJWMMISA-N 415.581 4.415 0 1 HIAF CC(C)CC(=O)OC[C@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1[C@H](O)C[C@@H]1C(=O)OC[C@H]12 2356790081 FBWLXVATYBNVBV-MIXNYJSHSA-N 420.590 4.359 0 1 HIAF CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccc(Cl)cc2)O3)c1 61907024 SEDUWJDYSPXFRE-HXUWFJFHSA-N 407.857 4.303 0 3 HIAF O=C(c1ccccc1OCc1ccccc1)N(Cc1ccccn1)C[C@H]1CCCO1 201457083 HAXBCDIIDQEHCN-JOCHJYFZSA-N 402.494 4.482 0 3 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 772521 XQYYSAZSKXQKAP-RBBKRZOGSA-N 405.885 4.330 0 1 HIAF CSc1nc(SC)c2c(C)cn(COCCOC(=O)c3ccccc3)c2n1 1613007 KLFHKIZIRXTQMD-UHFFFAOYSA-N 403.529 4.015 0 1 HIAF Cc1cc(COC[C@H](c2ccccc2)N(C)Cc2n[nH]c(=O)[nH]2)cc(C(C)(C)C)c1 27636516 VCYXADWZHUWUAD-OAQYLSRUSA-N 408.546 4.094 0 1 HIAF COc1cc(OC2CCNCC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1 34799970 JFJUDTHJJPEOAI-UHFFFAOYSA-N 402.857 4.305 0 1 HIAF O=C(Nc1ccc(Cl)cc1)c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O 35017473 XBZDZUQDUMIIPV-UHFFFAOYSA-N 405.841 4.240 0 1 HIAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(-c2ccc(C(=O)O)cc2)s1 36176563 WVMQCVFCMJDEPO-ZPMCFJSWSA-N 407.491 4.161 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1N 36189181 BCKQSIZBCMVWRU-PJWYAHGOSA-N 407.558 4.121 0 1 HIAF c1cc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc(N2CCNCC2)c1 40395583 OYWSZMCDHQWGRT-UHFFFAOYSA-N 406.493 4.021 0 1 HIAF CC1(C)C[C@]2(CN(Cc3ccccc3)C(=O)CO2)c2cc(Br)ccc2O1 40847530 YJPBLRAGISPJEW-NRFANRHFSA-N 416.315 4.265 0 1 HIAF CS(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4ccc(CCC(=O)O)cc4)c3c2)c1 45211280 UXFYDSZRRLQYKN-UHFFFAOYSA-N 420.490 4.318 0 1 HIAF COCCCCn1c(C)nc2cc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21 72170669 OKHCVPMLZKSXGU-UHFFFAOYSA-N 409.317 4.379 0 1 HIAF CCCS(=O)(=O)CCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 142115448 YDXMAGHLMCMVLM-YADHBBJMSA-N 405.991 4.307 0 1 HIAF CCOC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C 195168337 FRGNNZYHLRTEQP-KJJMTIBFSA-N 415.480 4.485 0 1 HIAF Cc1c(Br)ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12 586948734 UMPPCBDPLLEXBA-UHFFFAOYSA-N 408.321 4.451 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Sc3ncccn3)nc2c1 586960804 CMNZBDUNBMBWLP-VIFPVBQESA-N 407.293 4.145 0 1 HIAF N[C@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(Br)cc1 586997204 OWCPWIMPHVXPFW-GFCCVEGCSA-N 413.088 4.470 0 1 HIAF Fc1ncc(Br)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587177811 ARGXWVVFOWEJGX-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2nc(Br)c[nH]c-2n1 587191970 PWYRKZHOOLSCMH-ZDUSSCGKSA-N 418.295 4.023 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(I)c1O)CC2=O 587471206 JQEKZRKJPLXUNF-INIZCTEOSA-N 424.234 4.361 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1-n1cncn1 587549993 UQRLIQRWFHYEAW-UGKGYDQZSA-N 419.824 4.329 0 1 HIAF Nc1ccc([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577438 KIVIALXUOSLQNB-RDGATRHJSA-N 410.429 4.275 0 1 HIAF CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2c1c(Br)cc1n[nH]cc12 587622856 IHFQAVIVNGEEBT-UHFFFAOYSA-N 413.275 4.390 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)Nc3ccc(F)cc32)N1 587728362 FHSLLKYAAQGNEC-APBUJDDRSA-N 407.258 4.237 0 1 HIAF CN(C)[C@H](Cn1c(O)cc(-c2ccc(N)cc2)c1O)c1cccc(Br)c1 587939864 GCAMOSVJWSFUKS-GOSISDBHSA-N 416.319 4.214 0 1 HIAF Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4coc(C(=O)O)c4)CC[C@@H]32)ccc1Cl 653714986 PGFAYOUFUJNOPE-YRGVVPAESA-N 406.862 4.236 0 1 HIAF CCc1nccn1Cc1nc(-c2cccc([C@H]3NCCc4cc(C)c(F)cc43)c2)no1 962087457 DZQOADJSKOYELL-HSZRJFAPSA-N 417.488 4.226 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2cc(F)c(Cl)cc2F)N1 962644145 TWJVVHPNNSTKAD-SWLSCSKDSA-N 407.722 4.205 0 1 HIAF CN[C@H](C)[C@]1(c2ccc(OC)cc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962706941 MUPPRYBFKOPXKN-UQNRQAKVSA-N 400.563 4.049 0 1 HIAF Cc1cc(C)c(C)c([C@@]2(CCCC(=O)O)N[C@H](C(=O)O)Cc3cccc(F)c32)c1C 962906162 XBXVNJKQINDYPV-YADARESESA-N 413.489 4.157 0 1 HIAF COc1ccc(OC)c([C@@]2(c3cncc4ccccc34)NCCc3c(C)ccnc32)c1 963083423 BXXKCMDAKJYUAT-SANMLTNESA-N 411.505 4.393 0 1 HIAF COc1c(OCC(C)C)ccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772655745 AZFQJJLWWIRBEK-SFHVURJKSA-N 410.558 4.485 0 1 HIAF COc1cc2c(cc1OC)CN(C1CCC3(CC1)O[C@H](OC)Cc1ccccc13)CC2 1857634959 DHSJPRODTDDOQJ-DOTRQFKVSA-N 423.553 4.445 0 1 HIAF CC(=O)O[C@]1(C)[C@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@H]2OC1(C)C 2356527386 FUWGTSPULMWHSY-ODGPQVTHSA-N 406.434 4.393 0 1 HIAF Cc1cc(C)n2nc(SCc3nnc(SCc4ccccc4)s3)nc2n1 680271 TZYIETQVFMPXQR-UHFFFAOYSA-N 400.558 4.177 0 3 HIAF NC(=O)c1cccc(-c2ccc3c(c2)N(Cc2ccccc2Cl)C(=O)COC3)c1 205220961 AFQOLJXLFLHUIB-UHFFFAOYSA-N 406.869 4.169 0 3 HIAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)cc1F 774202 LXZNPPHPRLEZQR-CQSZACIVSA-N 418.852 4.310 0 1 HIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 775676 MLHPVEQCCXWDFL-IBGZPJMESA-N 422.525 4.371 0 1 HIAF CC(C)Cc1cc(C(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ccncc4)c3O2)no1 14981701 WRILBAJKTJGXFP-SFHVURJKSA-N 411.889 4.322 0 1 HIAF Clc1cc(Oc2ccc(-n3ccnc3)cc2)nc(Cc2ccc3c(c2)OCO3)n1 28709537 UWYBYGPZJAMGQU-UHFFFAOYSA-N 406.829 4.428 0 1 HIAF Cc1ccc(-c2ncc(C(=O)N[C@@H](CC(C)C)C(N)=O)nc2-c2ccc(C)cc2)cc1 28900417 CEOURMOBIKELEG-FQEVSTJZSA-N 416.525 4.057 0 1 HIAF COc1cc([C@@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc2c1OCO2 32302215 ISBKEYQPAWAMRF-IIBDXVJDSA-N 400.427 4.246 0 1 HIAF c1ccc(COc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CC3)cc2)cc1 34820041 LIWQYEOQOZSQCH-UHFFFAOYSA-N 409.453 4.033 0 1 HIAF C[C@@H]1CCC/C=C/CCC(=O)C[C@H](O)C/C=C\C=C\[C@H](O)C/C=C/C=C\C(=O)O1 38797328 KMKZBIGDFUKDCN-BTIPYXKPSA-N 402.531 4.124 0 1 HIAF CC(=O)OC[C@@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@H]1C3 38991205 PDMLWQRUTOFRTQ-TYYBBMATSA-N 420.546 4.349 0 1 HIAF C[C@H](Cc1ccc(C2=CCNCC2)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 45195963 ZJLCWHVPJHAQPZ-OPAMFIHVSA-N 404.476 4.336 0 1 HIAF CCOC(=O)c1[nH]c2ccc(OC)cc2c1Sc1cc(O)c(OC)c(OC)c1 45257086 XWOYPECOTWNUMP-UHFFFAOYSA-N 403.456 4.227 0 1 HIAF COc1cccc([C@@H](OC2CN(C(=O)N3CCCCC3)C2)c2cccnc2Cl)c1 73279902 WPVRQOXZCVLZQE-HXUWFJFHSA-N 415.921 4.140 0 1 HIAF O=C1C(=O)N(c2cccc(Cl)c2Cl)CCN1Cc1ccc(F)cc1Cl 95565245 GFBOGYSRGRBXOP-UHFFFAOYSA-N 401.652 4.161 0 1 HIAF Nc1ccc(-c2c[nH]c3ccc(-c4cncc(O[C@H]5CC[C@H](N)CC5)n4)cc23)c(F)n1 101449799 VYGDUXRXZUOIMT-GASCZTMLSA-N 418.476 4.057 0 1 HIAF Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@H]1COCC[C@@H]1N1CCCC1 118605580 QXIDDGCVCWJZHP-GJZGRUSLSA-N 424.385 4.016 0 1 HIAF CC(C)(CO)NC(=O)/C=C1/CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118921514 UXVOFCSJVMHXPQ-RLMIHSFFSA-N 401.591 4.124 0 1 HIAF CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)ccc32)on1 201322142 FABQUSTYLUSZFX-UHFFFAOYSA-N 418.457 4.193 0 1 HIAF Cc1ccc2ncc(S(=O)(=O)c3ccc(C#N)cc3)c(N3CCC(C)CC3)c2c1 201538000 YWFAGSGLDMOXJZ-UHFFFAOYSA-N 405.523 4.484 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064404 JXTNOBJRFZSGHY-UHFFFAOYSA-N 402.859 4.459 0 1 HIAF COc1cc(F)ccc1-c1cccc(Cc2nc3nc(Br)c[nH]c-3n2)c1 587157638 CGGMJFIKNMGTIA-UHFFFAOYSA-N 413.250 4.473 0 1 HIAF Cc1nc(N(C)C)ncc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587194640 KOSUVKYNCJKNCF-UHFFFAOYSA-N 416.201 4.055 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)c1 587232454 UUXQGNXOTQUHKS-UHFFFAOYSA-N 403.413 4.018 0 1 HIAF O=C(c1c(F)ccc(F)c1Cl)c1c(CO)oc2cc(Br)cnc12 587276706 SMSJPGRGUCVBEB-UHFFFAOYSA-N 402.578 4.245 0 1 HIAF O=C(O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 587358919 QUVAGADLDKXNFV-QPPBQGQZSA-N 418.376 4.147 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@H](CN[C@H]2C(=O)O)C3)c1 587362801 KVKSAYREGNFPAJ-DJKDLEHESA-N 414.461 4.044 0 1 HIAF COc1cccc(-c2c(CC(=O)O)c(CCC(=O)O)nc3c2oc2ccccc23)c1 587365201 FQIJGEOIJDCMRQ-UHFFFAOYSA-N 405.406 4.301 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCN1CCOCC1)(c1ccc3ccccc3c1)O2 587400022 NOMMGKOPAXGDTR-AREMUKBSSA-N 416.521 4.313 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547565 MGZIDOUHRPONQU-REWPJTCUSA-N 424.836 4.466 0 1 HIAF CC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)nc1C 587587953 OVWBXDGTZAHWTR-QPPBQGQZSA-N 403.434 4.484 0 1 HIAF COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587590329 BZHBQRLZHVTQDM-XUZZJYLKSA-N 406.434 4.372 0 1 HIAF CCOC(=O)[C@]1(c2cc(C)cc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593028 BSEDMAGEXODRTR-PXDATVDWSA-N 418.445 4.429 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598818 VKEOQLSHLIJQDC-RDPSFJRHSA-N 404.418 4.121 0 1 HIAF Cc1cccnc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587745466 WGQBCDOTVOCSLD-CWTRNNRKSA-N 406.299 4.070 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(C(N)=O)CC[C@@]2(C)C3(C)C)N1 587751331 XUICUWLYDPOXQW-WLPYNXSRSA-N 409.343 4.019 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCc2ccccc2)N1 587758530 XWYBZGHMUHQUSA-RBZFPXEDSA-N 405.311 4.044 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccccc3oc2=O)N1 587839782 GSGNOMZBFIRWCG-PRWKNARSSA-N 402.263 4.492 0 1 HIAF CCOc1cc(C=O)c(OCC)n1-c1c(Br)cccc1-c1cnn(C)c1 587934155 BPHHTIRCLGEWPC-UHFFFAOYSA-N 418.291 4.250 0 1 HIAF C[C@@]1(c2ccc(OC3CCOCC3)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759165 BIXFDDKZAPVZCN-UNMCSNQZSA-N 419.443 4.154 0 1 HIAF CC(C)c1nn(C)c2c1[C@@](Cn1cnc(Cl)c1Cl)(c1ccc(F)cc1)NCC2 962920459 SEQDTXOVMFPYCQ-HXUWFJFHSA-N 422.335 4.275 0 1 HIAF CC(=O)Nc1ccc(-c2csc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1 1857629628 PRSZATRSQSRDTO-UHFFFAOYSA-N 421.478 4.168 0 1 HIAF COc1ccc([C@H]2C=C(c3ccc(Br)s3)Nc3ncnn32)cc1OC 101730524 SVHMCFZIAFIYNP-GFCCVEGCSA-N 419.304 4.175 0 3 HIAF S=C1NC[C@H](Cc2ccccc2)N1CC1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 263591115 CBKUKFGMDRGLRT-XQUALCHDSA-N 411.659 4.326 0 3 HIAF CC[C@H](C)C(=O)O[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 601230 PCZOHLXUXFIOCF-BGZYREGMSA-N 404.547 4.196 0 1 HIAF CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1 4239342 FEBMFJCPJZZKAL-UHFFFAOYSA-N 410.524 4.342 0 1 HIAF CN(Cc1ccccc1)c1nc2sc3c(c2c(=O)o1)CCN(Cc1ccccc1)C3 13678186 TUOXIEYCRRNYFY-UHFFFAOYSA-N 417.534 4.444 0 1 HIAF CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 15911611 BPGLIFATZFHPCG-JNPCQWKZSA-N 418.921 4.093 0 1 HIAF CC(C)(C)c1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@H]2COc3ccccc3O2)CC1 27882662 VZVQQFGFPFYKIP-IBGZPJMESA-N 421.541 4.104 0 1 HIAF COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)C[C@@H](C)CC4)cc1OC 28949367 JJHBKPFRQSUBAZ-NSHDSACASA-N 402.541 4.311 0 1 HIAF CC[C@H](C)Nc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccc(F)cc2)n1 82141681 YUGIGRCOCQPVIC-INIZCTEOSA-N 422.504 4.474 0 1 HIAF O=C(Nc1ccccc1C1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1 84723297 SXFHDLTUBXLJKI-UHFFFAOYSA-N 405.523 4.464 0 1 HIAF Cc1nc(NC(=O)Cc2nc(-c3ccccc3)c(C)o2)sc1-c1ccc(N)nc1 96907381 PTNNLDBOIACISQ-UHFFFAOYSA-N 405.483 4.240 0 1 HIAF CC1(C)CC(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)CC(C)(C)N1 98084136 HLPXLTCRPSYKFL-MYNGYRLFSA-N 414.549 4.188 0 1 HIAF N[C@H]1CC[C@H](Nc2nc(NCc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1 100034121 JTVILUUAQWQWBK-HDICACEKSA-N 405.550 4.235 0 1 HIAF in-vivo O=S(=O)(Nc1ccn(-c2ccc(Cl)cc2)n1)c1cccc(C(F)(F)F)c1 103299514 OCEVIMVFJZMSNX-UHFFFAOYSA-N 401.797 4.345 0 1 HIAF O=C1CN(c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)c3ccccc3n2)CCN1 115759877 IEYKYKKPCJLHLZ-UHFFFAOYSA-N 414.440 4.164 0 1 HIAF CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(/C=C4/SC(=O)NC4=O)cc3)nc12 148993670 ZEKMHJMIMRPSOF-RIYZIHGNSA-N 421.482 4.254 0 1 HIAF CN(c1nc2ccc(F)cc2s1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 203540738 DJFJFDYHLZKLLM-CQSZACIVSA-N 409.486 4.468 0 1 HIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@@]4(C)[C@H]3CC(=O)[C@]12C 253928521 OHXPGWPVLFPUSM-OWJZPOSVSA-N 402.531 4.073 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586904888 CWHOKYQPCDOWIW-UHFFFAOYSA-N 409.467 4.121 0 1 HIAF CC(C)COc1cc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2cc1Br 586926952 QYAZXBHONHUBTA-UHFFFAOYSA-N 423.332 4.431 0 1 HIAF CC(C)(C)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2n1 586946426 XKBBGHBAEXBHGE-UHFFFAOYSA-N 416.528 4.055 0 1 HIAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587048908 CLUYCWQTEYDETL-UHFFFAOYSA-N 417.796 4.135 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ncccc4Cl)[nH]c3c2)cc1 587065523 SQDZHRFGNYSSQK-UHFFFAOYSA-N 414.874 4.088 0 1 HIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Cl)ncnc2[nH]1)c1cccc(Cl)c1 587070390 GPHPRZXHXVDRES-GFCCVEGCSA-N 408.289 4.468 0 1 HIAF N[C@H](Cc1nc2cccc(Br)c2[nH]1)c1ccc(Br)cc1F 587142721 MBUUJXGWBLNDRJ-GFCCVEGCSA-N 413.088 4.470 0 1 HIAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(F)c(F)c3[nH]2)c1 587155350 XKVQPVMXCVRVRV-UHFFFAOYSA-N 403.385 4.448 0 1 HIAF COc1cc(N)c(I)cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 587178667 HZFDVXTXBSFWOH-UHFFFAOYSA-N 422.270 4.118 0 1 HIAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587194160 MZMCELRDKSQLIS-GFCCVEGCSA-N 404.408 4.238 0 1 HIAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332353 GDOJSZLSLCRBMX-ZZQRAECTSA-N 423.484 4.331 0 1 HIAF O=C1c2ccc(O)cc2OC2(CC(C(=O)O)(c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587348497 CSBAIPPOVGCLIV-BURHJUHKSA-N 418.420 4.445 0 1 HIAF COc1ccc2c(n1)NCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351391 UHZWZXZSJODPIU-REWPJTCUSA-N 406.413 4.005 0 1 HIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c(OC)c1OC 587375010 BAJMIYRYNGLWJX-CQSZACIVSA-N 422.275 4.072 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccc(C(F)(F)F)n4)cc1)[C@@H](C2)C3=O 587419657 DJYUWXLZYDOQIZ-YWZLYKJASA-N 400.356 4.388 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C(Oc4ccccc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O 587454766 XUTLDWFDDSNDIN-DFBJGRDBSA-N 414.413 4.357 0 1 HIAF C[C@@]1(c2cccc(NC(=O)CCC(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587515016 ZWVWDGZQBMZTFY-DEOSSOPVSA-N 407.466 4.249 0 1 HIAF CCn1cc([C@@]2(C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587555934 MSACZTDDUGWIIX-DYESRHJHSA-N 400.381 4.039 0 1 HIAF COC(=O)CC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572352 SFFKRXAMADGINI-URXFXBBRSA-N 422.408 4.342 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2F)(C(F)(F)F)N1 587708805 DQNKMEIODCUMHO-VXJOIVPMSA-N 407.180 4.462 0 1 HIAF CCOCCCN1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C1 587759181 FCMYNFFKFQMQHK-AVYPCKFXSA-N 413.375 4.086 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc(C(=O)O)c23)N1 587805203 SJJCNUHMEHKRMD-NIVTXAMTSA-N 403.251 4.391 0 1 HIAF C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCCCC2)S3)[C@@H]1C 618007510 KBBJJNFHPXWHTL-WQLIQUDQSA-N 401.576 4.097 0 1 HIAF COc1ccc2[nH]cc(CCNC(=O)CC3CCN(Cc4ccccc4C)CC3)c2c1 653882184 YIQUNQOTSWAGGT-UHFFFAOYSA-N 419.569 4.446 0 1 HIAF NCc1ccc(-c2cc(CNCC3CCNCC3)sc2-c2ccc(CN)cc2)cc1 1857552836 ITMNTGSOXHQAAV-UHFFFAOYSA-N 420.626 4.089 0 1 HIAF CCN(CC)CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 1857588922 GGMAMOLARXOJQG-UHFFFAOYSA-N 414.600 4.341 0 1 HIAF Cc1cccn2c(C(=O)NC(C)C)c(NC(=O)c3cccc(C(F)(F)F)c3)nc12 1857610928 UBXZRCKIEVHWIN-UHFFFAOYSA-N 404.392 4.052 0 1 HIAF COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4ccc(Cl)cc4)CO3)c2c1 1857642404 PMWFWVQXXPHBLZ-UILWBTOOSA-N 412.917 4.361 0 1 HIAF O=C1N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCN1c1ccccc1 1857760502 HXLCGRTUDBLGNG-IBGZPJMESA-N 421.447 4.376 0 1 HIAF C=CC(C)=CC[C@]1(C)[C@H](C)CC[C@]23C(=C[C@H](O)C[C@@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O 2356582181 CLMGAZWYZXAAJO-BLDLLZLZSA-N 418.530 4.047 0 1 HIAF Cc1cc(-c2nnc(CCC(=O)N[C@H](Cc3ccccc3)c3ccccc3)o2)no1 13636987 MUZVPEOFRHIHHS-LJQANCHMSA-N 402.454 4.066 0 3 HIAF CC[C@H](C)C(=O)O[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 11592691 PCZOHLXUXFIOCF-JCTDNGFOSA-N 404.547 4.196 0 1 HIAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCNCc3ccco3)cc(O)c12 40973862 DNSSZIWMBMAHIX-UHFFFAOYSA-N 421.449 4.413 0 1 HIAF O=C(Nc1ccccc1N1CCOCC1)c1nc(-c2ccccc2)oc1C(F)(F)F 73169020 CBMINGODWPZMIL-UHFFFAOYSA-N 417.387 4.449 0 1 HIAF Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1Cc2cccnc2C1 95591527 FZMPFJLBIUVLCZ-UHFFFAOYSA-N 403.269 4.379 0 1 HIAF COC(=O)N1N=C(c2cccc(Cl)c2)N(C(=O)OC)N=C1c1cccc(Cl)c1 96937992 GUPWAYROSWEUPW-UHFFFAOYSA-N 421.240 4.167 0 1 HIAF Cn1nc(-c2ccc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)c2ccccc21 103254100 GCYUEQHGFFSDDR-UHFFFAOYSA-N 423.476 4.048 0 1 HIAF O=C(/C=C/c1cccc(O)c1)N1Cc2ccccc2[C@@H](OCc2ccccc2)[C@@H]1CO 299861259 IAHBDTOVPPRULJ-FDYGDTCYSA-N 415.489 4.067 0 1 HIAF CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1 299884956 USZOQDIAEYNHIZ-TUNNFDKTSA-N 414.933 4.442 0 1 HIAF [C-]#[N+]c1cnc2c(c1)CC[C@H]2Nc1ccc(F)c([C@@]2(C(F)F)NC(=N)O[C@@H]3C[C@@H]32)c1 473219267 IDXJWGJKLDSJCQ-CTRXZIQJSA-N 413.403 4.274 0 1 HIAF COc1cc(Br)c([C@H](N)c2nc3ccc4c(c3[nH]2)CCCC4)cc1OC 586976613 WOBUOLSJQIKMPI-SFHVURJKSA-N 416.319 4.270 0 1 HIAF CCOC(=O)[C@H](c1cccnc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987773 FSSCISXSMCYYFB-OAQYLSRUSA-N 410.429 4.242 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C(=O)O)[C@H]3C(=O)O)c1 587365028 CMJHCAUGBRJMSC-KBXCAEBGSA-N 403.390 4.082 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 587412058 LSQJOZSOTCPXIT-LOSJGSFVSA-N 415.445 4.306 0 1 HIAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(CCC(=O)c1ccc(C)s1)[C@@H](C2)C3=O 587454233 XKSDJMQDMJREBN-NYHFZMIOSA-N 414.479 4.079 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccnn3C)cc1)CC2=O 587478786 SXTIWBSJSYXFTE-OAQYLSRUSA-N 406.438 4.004 0 1 HIAF CCOC(=O)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549259 RKDDLFBQLPUAEM-WMZHIEFXSA-N 424.836 4.466 0 1 HIAF C[C@H](C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O 587567127 DVEHQPZPRWDVLM-UHXKVLTISA-N 422.408 4.499 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN(C)C 587568368 BWWCLRTYFMMQJN-URXFXBBRSA-N 405.450 4.165 0 1 HIAF CCOC(=O)[C@H](C)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575166 CZSFDKKOMVUBKW-OSGPJOMKSA-N 407.422 4.021 0 1 HIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1-n1cccn1 587757898 HZVXYCLOHGJHJX-KPZWWZAWSA-N 401.283 4.101 0 1 HIAF CC(=O)N1CC[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1 587769749 PWEJDAYTOZITEM-LRTDBIEQSA-N 417.322 4.118 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CN3CCOCC3)c2)N1 587775763 UUJSLNGDBXGLNQ-SZNDQCEHSA-N 419.338 4.044 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc3ccccc3c12 587791660 KJJQYGFLWOESTK-WSVYEEACSA-N 411.274 4.471 0 1 HIAF CSc1ncc2c(n1)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587844240 LDJJIXPVVGZNQX-XTZNXHDOSA-N 408.340 4.214 0 1 HIAF CS(=O)(=O)c1ccc([C@](O)(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653801586 FMSQUGVLINIZDM-OAQYLSRUSA-N 418.946 4.436 0 1 HIAF CCN1C(=O)[C@@]2(NCCc3cc(Cl)ccc32)c2cc(C)cc(Br)c21 963390586 KWYKFRYMFOEEMV-IBGZPJMESA-N 405.723 4.167 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)[C@@H](N=O)[C@@H](C)N=O 963842217 VTHYZNWTHBNTFL-NYGSYELISA-N 419.478 4.137 0 1 HIAF O=C1c2ccccc2C(Cc2ccnnc2)(Cc2c(F)cncc2F)c2ccccc21 1857564589 TULGAOOGTOFKPH-UHFFFAOYSA-N 413.427 4.466 0 1 HIAF COc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(N(C)C)cc3)c2)c1 1857603165 HHYPQFXFVPPSRQ-UHFFFAOYSA-N 419.481 4.031 0 1 HIAF Cn1ccc2ccnc(N(C(=O)N3CCC(c4ccccc4)CC3)[C@@H]3CCCNC3)c21 1857604198 RPHSNAVXEYACPF-JOCHJYFZSA-N 417.557 4.131 0 1 HIAF Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)n(Cc2csc(-c3cccnc3)n2)c1 1857615078 SLBUKVTXJRXTLF-UHFFFAOYSA-N 418.478 4.314 0 1 HIAF Cn1c(COc2cc3c(s2)CC[C@H](C(C)(C)C)C3)nnc1SCCC(=O)O 1857769490 KUKJPKZWBNVETG-ZDUSSCGKSA-N 409.577 4.173 0 1 HIAF CC=C(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356480710 NMJFVCKFWDELPC-VQTJNVASSA-N 414.454 4.082 0 1 HIAF COC(=O)Cc1ccc(O[C@@]2(C)CCN(Cc3ccccc3OC(F)F)C2)cc1 61928103 NVHLOLURKICJFW-QFIPXVFZSA-N 405.441 4.047 0 3 HIAF COc1cc(-c2nc3ccccc3c(=O)n2Cc2cccc(F)c2)cc(OC)c1OC 3018205 MHIOWUJSDKRYCH-UHFFFAOYSA-N 420.440 4.277 0 1 HIAF O=S(=O)(NCCc1cccs1)c1ccc(-c2cc(C(F)(F)F)no2)s1 20581173 DKEGMQYVKNARFW-UHFFFAOYSA-N 408.448 4.004 0 1 HIAF Cn1cc(CN2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cccnc3)ccc2=O)c2ccccc21 25410818 NYHXTPQLAAKBHA-QUCCMNQESA-N 410.521 4.021 0 1 HIAF biogenic Cc1ccc(N2CCc3ncnc(NCc4ccccc4OC(F)(F)F)c3C2)nc1 35077835 QCPWBRUFKOYOBO-UHFFFAOYSA-N 415.419 4.253 0 1 HIAF CC[C@H](CO)Nc1nc(Nc2cccc(-c3ccncc3)c2)c2ncn(C(C)C)c2n1 40873422 VTJZFNJJGGKVFU-GOSISDBHSA-N 417.517 4.396 0 1 HIAF COc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1 63540082 JNXJKTXDSPWNRP-UHFFFAOYSA-N 406.442 4.199 0 1 HIAF CC(C)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N1CCCCC1 82082323 KWLBNUMHWBVWBS-KRWDZBQOSA-N 405.951 4.230 0 1 HIAF C[C@@H]1CCc2cc(F)ccc2N1C(=O)CSc1n[nH]c2c3ccccc3nc-2n1 101944536 YCMZSOVLTQKLKS-GFCCVEGCSA-N 407.474 4.057 0 1 HIAF CC[C@H](C)Cn1c(-c2c(F)cc(OC)cc2F)c(Cl)nc(-n2cccn2)c1=O 138877289 ASQNPMQXIKLSHZ-NSHDSACASA-N 408.836 4.082 0 1 HIAF CN(C)[C@H]1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)C1 141409152 FOVSLONNMLNECB-QHCPKHFHSA-N 415.537 4.447 0 1 HIAF Cn1cc2ccc(-c3cccc(OC[C@@H](O)CN4CCc5ccccc5C4)c3)cc2n1 219730606 FITUROXCOXJFBG-DEOSSOPVSA-N 413.521 4.038 0 1 HIAF O=C(O)c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1F 586999186 UTOSQFRYLSOGSQ-UPHRSURJSA-N 405.179 4.062 0 1 HIAF COc1ccc(C)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348297 NHVVOSRKXPJKDG-YKSBVNFPSA-N 419.408 4.055 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1NC(=O)OCC(F)(F)F)[C@@H](C2)C3=O 587419516 GNLGSHBYLVXRRL-XOBRGWDASA-N 421.371 4.469 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccnc1C(=O)O)CC2=O 587485566 IPPRKJQAZOGNSJ-XMMPIXPASA-N 403.434 4.347 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2cccc(F)c2)c1 587571681 OFXBHOWSXFTYLX-REWPJTCUSA-N 402.381 4.420 0 1 HIAF Cc1ccncc1[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584548 AYYKOBQTFWEDNN-RCZVLFRGSA-N 410.429 4.396 0 1 HIAF C[C@]1(c2cccc(OC[C@@H]3CO3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614553 CJJSPJYEDBTPRF-NYQDVAGCSA-N 404.418 4.047 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(c2nccn2C)N1 587727250 NCSUCYZWLBSZLQ-ODXCJYRJSA-N 418.285 4.287 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](NC(=O)OC(C)(C)C)C2)N1 587742987 MTULHFYINKHATI-XAEJFWIOSA-N 413.331 4.395 0 1 HIAF CC(C)Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CO 587789921 DUSCDGHPBQXBSX-MPBGBICISA-N 408.311 4.491 0 1 HIAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587837228 DSWMRYKUXAXSAD-YBTHPKLGSA-N 418.262 4.035 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(N)=S)c2)N1 587846619 VCHSAIBZKZDLHE-MLCYQJTMSA-N 408.340 4.041 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c(C(=O)O)csc32)N1 587853703 AXWYGFSCJMXIGX-YYSFKGJASA-N 410.308 4.462 0 1 HIAF CC(C)C(=O)[C@H]1C(=O)c2ccccc2[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961614273 KEJQOFWAZONQIV-CVDCTZTESA-N 424.338 4.409 0 1 HIAF COc1cc2c(cc1OC)[C@@](CC(=O)C(F)F)(c1ccc(C)s1)N(C)[C@@H](C)C2 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CCc1cc(=O)c2ccc(OC)c(COC[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 101993725 ZHLZQZJYVQFZBE-GOTSBHOMSA-N 400.471 4.003 0 1 HIAF N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1 167100850 YZOMMZUMEUODOX-KGLIPLIRSA-N 424.451 4.365 0 1 HIAF Cc1cc2ccccc2n1[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 169352271 UXNXQIHNYJHXKS-QHCPKHFHSA-N 403.526 4.264 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1ccccc1C 203901730 QLVJYJHFNRLIGI-IBGZPJMESA-N 408.429 4.151 0 1 HIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 586939386 NSVHUUPTYFXECL-JTQLQIEISA-N 415.412 4.465 0 1 HIAF COC(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 587016432 ASPAOEQTIAQVLI-UHFFFAOYSA-N 401.451 4.765 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cncc(OC)c3[nH]2)c1 587049417 IQBBOLHKBFJUJR-BQYQJAHWSA-N 413.865 4.010 0 1 HIAF COC(=O)C[C@@]1(O)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587365006 BWBJBTBBALCMRC-RUZDIDTESA-N 417.461 4.440 0 1 HIAF COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCc2cccnc2)c1 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COc1c(Cl)c(C)cc(O)c1C(=O)c1cccc(OC=C[C@H](C)C(=O)O)c1C=O 2356692026 GAZYEUATOWFTEU-NSHDSACASA-N 418.829 4.019 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@@H](CC(=O)CN[N])[C@]4(C)CC[C@@H]32)C1 2356871137 XXWKTKJWDCUYLJ-PBWYFCPQSA-N 400.563 4.030 0 1 HIAF Cc1cc(N2CCN([C@H](C(=O)NC3CCCC3)c3ccco3)CC2)c2ccccc2n1 95569352 IRVTXJAFEVXVAM-DEOSSOPVSA-N 418.541 4.058 0 3 HIAF COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@@H]1c1ccc(Cl)cc1 95599587 IDOZROOMSBNPGZ-GOSISDBHSA-N 404.894 4.358 0 3 HIAF CCOC(=O)[C@](NC(=O)CC(C)C)(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F 1650020 HZAQKBMXOLLJTH-OAHLLOKOSA-N 414.346 4.101 0 1 HIAF CC(C)Oc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 13862168 FCYXJZYYYQBGQZ-UHFFFAOYSA-N 402.446 4.373 0 1 HIAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H]2OC[C@@]2(CCCc2ccccc2)C[C@@H]3[C@@H]1C5 26002025 AFNNIVJCAOZVSR-AKYIFQPHSA-N 417.549 4.079 0 1 HIAF CN1CC(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)=NNC1=O 40394436 LBOLKRZZPHGINV-UHFFFAOYSA-N 408.683 4.448 0 1 HIAF CC(=O)CCCCC[C@H](NC(=O)[C@H]1CCCCN1C)c1ncc(-c2ccccc2)[nH]1 40421804 GFBFIGQHSCLECS-RBBKRZOGSA-N 410.562 4.258 0 1 HIAF COc1c(NCCCc2ccccc2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 72126955 LWDOLHHPHJPUOC-UHFFFAOYSA-N 410.445 4.227 0 1 HIAF C=CC1=C(C(=O)N2CCN(c3cccc(Cl)c3)CC2)[C@H](c2ccc(OC)cc2)OC1 73225010 WKBITGHAFVCTFX-QHCPKHFHSA-N 424.928 4.251 0 1 HIAF O=C1NC(c2ccccc2)=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(O)c2)N1 73314325 GVKAPNCPHAWDFS-JOCHJYFZSA-N 406.482 4.281 0 1 HIAF C[C@@H](/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)O)COc1ccc(F)cc1 78937874 SGFIFYSIHRWSCE-LLXPRBAESA-N 404.478 4.042 0 1 HIAF in-vitro Cn1c(=O)c2c(-c3ccsc3)c3c(nc2n(C)c1=O)/C(=C/c1ccsc1)CCC3 96923285 SLAZWKBSSNUANL-GXDHUFHOSA-N 421.547 4.299 0 1 HIAF Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@H]2CC[C@@H](N3CCCC3)CC2)cc1 101224450 OXYRVSPLWYNARN-XUTJKUGGSA-N 403.526 4.480 0 1 HIAF NC(=O)C[S@@](=O)C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 103246715 PDBZCRSGVBDGAF-MHZLTWQESA-N 409.351 4.048 0 1 HIAF 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OCc1ccc(F)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 587141110 XJSZSFKTEOPQTJ-UHFFFAOYSA-N 400.045 4.386 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@H](C)c3ccc(N(C)C)cc3)nc2c1 587197183 KWPNFFFUCHAMAB-LLVKDONJSA-N 402.292 4.330 0 1 HIAF C[C@@]1(c2cccc3nc(N)oc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333951 JFPWXKYUUNLUBV-CVDCTZTESA-N 404.397 4.529 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(NC(C)=O)cc1)CC2=O 587470363 SVYAUYXFVQZAHX-XIQMRYHBSA-N 408.498 4.239 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc12 587508988 VAXZTCMUUBPIQJ-FQEVSTJZSA-N 403.356 4.277 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(CNC(=O)OC(C)(C)C)C2)N1 587753746 IBEJCKCWABYVNW-UHOVJUMYSA-N 413.331 4.252 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSCC(=O)O)(c2ccccc2)N1 587849020 YQRKCUVEGDCTDB-BLVKFPJESA-N 424.335 4.184 0 1 HIAF COc1ccc(Cc2cnc(NC(=O)[C@H](C)Sc3nc(C)cc(C)n3)s2)cc1 653704223 UAXRDCVBYWKCGT-AWEZNQCLSA-N 414.556 4.269 0 1 HIAF C[C@]1(Cc2c[nH]c3cccc(F)c23)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962659447 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COc1ccc(OC)c(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCOCC3)n2)c1 28475209 KOCGTZRSVASJAY-UHFFFAOYSA-N 416.481 4.146 0 1 HIAF Fc1ccc([C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Br)cc3)O2)cc1 28767230 HULMHEDWRLRAJV-RTBURBONSA-N 403.251 4.426 0 1 HIAF COc1ccc([C@H]2C[C@](O)(c3ccccc3)[C@H]3C(=O)Nc4ccccc4C(=O)[C@H]23)cc1 40764114 WNOSSCHYPYTNHS-DNRBGDKYSA-N 413.473 4.138 0 1 HIAF Cn1cc2c(n1)CCc1c-2c2c(c3c1[nH]c1ccc([C@@H]4CCCCO4)cc13)CNC2=O 49035200 PACMCHVNXJZGFE-FQEVSTJZSA-N 412.493 4.305 0 1 HIAF NCCCc1n[nH]c2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12 66078675 WJWJAKINFQRTRI-UHFFFAOYSA-N 419.876 4.449 0 1 HIAF CCn1cc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)c(=O)c2ccc(C)nc21 72179831 LIMNHADVKHHASP-UHFFFAOYSA-N 422.901 4.211 0 1 HIAF CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cnc(O[C@H]2CC[C@@H](C)CC2)nc1 102225340 CXWWGVRSDAMMTL-JKMAKKBCSA-N 423.513 4.209 0 1 HIAF C[C@H]([C@H]1C[C@@H]1C(=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 118919878 SPBCVLSZAPVLJN-ZYFPFSFXSA-N 404.591 4.334 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@@H]3c3ccc(C)o3)sc2c1 169690106 DBQKPIMGHJRMHE-MSOLQXFVSA-N 420.446 4.255 0 1 HIAF c1cc2c3cnc(Nc4ccc(N[C@H]5CCNC5)cn4)nc3n(C3CCCC3)c2cn1 169706632 SMNBJOCPOYEKDE-INIZCTEOSA-N 414.517 4.007 0 1 HIAF CC(C)n1ncc2c1C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 220420407 ZBKQSWPCHUEZBL-KRWDZBQOSA-N 417.296 4.219 0 1 HIAF NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2c[nH]c(-c3ccccc3)n2)CC1 299840947 WYYONAKAKFTFOR-BVSLBCMMSA-N 402.542 4.242 0 1 HIAF CC[C@H]1CCCCN1c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 299881448 OAIZSJRQHJEGMJ-QFBILLFUSA-N 413.522 4.032 0 1 HIAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C)cc(Br)c3[nH]2)cc1 586941972 YWOMEJSZYSXETL-BQYQJAHWSA-N 420.332 4.033 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047948 CPOLCBGBPKLAMC-NEPJUHHUSA-N 410.326 4.391 0 1 HIAF Cc1nn(-c2cccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c2)c(C)c1Cl 587065608 TYMIHDCCAURPQI-UHFFFAOYSA-N 420.948 4.438 0 1 HIAF C[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)n1nc(C(F)F)c(Cl)c1C(F)F 587128462 MNXUIQGJSOBLJQ-RXMQYKEDSA-N 417.750 4.228 0 1 HIAF Cc1cc(F)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587331554 HWRZBWWKLIXZRD-CVDCTZTESA-N 407.372 4.185 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc3c(C)c(C)c(=O)oc3c1C)O2 587409607 RXWBYPXAFPHBFY-DEOSSOPVSA-N 407.466 4.412 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2OCCO2)(c2cccc(F)c2)N1 587730669 JXHMHDYOFOFIPZ-MPBGBICISA-N 424.285 4.268 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc(CC(=O)O)cc4)[nH]c3c2)cc1 587962192 VGXUPPOTKFGLAV-UHFFFAOYSA-N 416.433 4.360 0 1 HIAF Cc1ccn2c(C(=O)NCc3ccc(C(=O)OCc4ccccc4)cc3)c(C)nc2c1 653726141 JXHZKJURBYIMJC-UHFFFAOYSA-N 413.477 4.238 0 1 HIAF COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)NCCc3ccc(F)c(C)c32)cc1 962093016 OHWQJXMOLINFKW-SANMLTNESA-N 423.528 4.497 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@]2(CCC[C@@H](C(F)F)C2)N1 962926033 KXOKMTTUFLEHFZ-YFYZNPQRSA-N 403.425 4.434 0 1 HIAF COc1ccc2c(c1OC)[C@@H](c1ccc(C)c(O)c1)N(C(=O)c1ccccc1N)CC2 963132847 AEDVOJCGYSEQJA-HSZRJFAPSA-N 418.493 4.088 0 1 HIAF O=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)C[C@]1(CO)c1ccc(F)cc1 1772606185 TWFRJVDERSSRTP-QHCPKHFHSA-N 407.420 4.495 0 1 HIAF OCc1ccc(CSc2nc(O)nc(SCc3ccc(Cl)cc3)n2)cc1 1857546945 CJWUTSMJSFOXMW-UHFFFAOYSA-N 405.932 4.308 0 1 HIAF CC(C)[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)cn1)c1ccccc1 1857629494 GYRBFGSXTHYTOT-OAQYLSRUSA-N 406.461 4.434 0 1 HIAF C[C@]12CCC(=O)[C@@]3(C)[C@H]1[C@@H](OC2)[C@@H](O)[C@@]1(C)C2=CC[C@@H]([C@H]4CCOC4)[C@@]2(C)CC[C@@H]13 2356335484 ARKGGIVBWHHQPU-AGMLJKKMSA-N 414.586 4.157 0 1 HIAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)c4cccnc4)nc3[C@H](C)[C@@H]21 2356504990 MHMUNSRMYYJJFY-SMDAXQMVSA-N 411.527 4.044 0 1 HIAF CCCCN1C(=O)[C@@H](CC(=O)NC2CCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C 61921664 MJKBDSNKTKBWQF-LJQANCHMSA-N 419.610 4.003 0 3 HIAF CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3ccc(F)cc3)c2n1 4238711 KSKSWFATSGKSET-UHFFFAOYSA-N 409.852 4.126 0 1 HIAF CC[C@H](C)C(=O)O[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 7997910 PCZOHLXUXFIOCF-ZLFACDPRSA-N 404.547 4.196 0 1 HIAF O=C(c1cccc2ccccc12)c1cn2c3c(cccc13)OC[C@H]2CN1CCOCC1 13447502 LNTMHDCIQZUWLN-LJQANCHMSA-N 412.489 4.291 0 1 HIAF COc1cccc(C2=C(C(=O)O)[C@@H](c3ccc4c(c3)OCO4)Oc3ccccc32)c1 13473347 IUEWUCCUXFCCCP-HSZRJFAPSA-N 402.402 4.444 0 1 HIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5F)CC4)[C@@H]3C=C12 16039656 DJDMTKVUPCOQPO-HUFIRRDGSA-N 410.533 4.182 0 1 HIAF biogenic COc1cc([C@@H]2C(=O)OC[C@@H]2C(=O)c2cccc3ccccc23)cc(OC)c1OC 28378450 YPCYFZPHBYZMDW-RXVVDRJESA-N 406.434 4.005 0 1 HIAF CCn1c2ccccc2c2cc(NS(=O)(=O)c3c(OC)ccnc3OC)ccc21 28822213 MWPDOWZVVQCZMG-UHFFFAOYSA-N 411.483 4.027 0 1 HIAF Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 40865997 OTYSUGYIRNYCSI-UHFFFAOYSA-N 407.489 4.229 0 1 HIAF O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccccc1C(=O)OCC(F)(F)F 68576329 AAUFRVGKAXYEPR-UHFFFAOYSA-N 416.808 4.186 0 1 HIAF biogenic CCCOCC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)O 72171921 WYHABGDJCICABJ-QFIPXVFZSA-N 420.509 4.338 0 1 HIAF Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@@H](C)NCCO)cnc12 84671952 LGVJSFVTVWXIFE-QGZVFWFLSA-N 419.525 4.227 0 1 HIAF CC(C)[C@@H](CCc1ccc2c(c1)OCCCO2)NC(=O)[C@H](C)CNCc1ccccc1 114097558 YDYGYVQRRINDBI-NFBKMPQASA-N 424.585 4.347 0 1 HIAF C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O1 141625765 YQYQTGREIHNPDS-FEQIBPFASA-N 405.560 4.489 0 1 HIAF COc1ccc([C@@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)cc1 145420853 FULOVOPQENLVDA-FQEVSTJZSA-N 402.479 4.475 0 1 HIAF Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc(C3CC3)cn2)n1 205895324 YXYPFAJTRWPTLI-SJORKVTESA-N 408.531 4.012 0 1 HIAF C[C@@]12C=C[C@]3(C1)[C@@H](O)C[C@@H]1[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]1(C)[C@H]3CC2 238752528 SGSLKSWEAHEFTA-PKWIELLASA-N 404.547 4.334 0 1 HIAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1 586944310 JWJLHAKEYQKHRZ-UHFFFAOYSA-N 419.506 4.219 0 1 HIAF COC(=O)c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cn1 587001269 MOEFUPBABALHCJ-UHFFFAOYSA-N 412.243 4.239 0 1 HIAF Brc1nc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C2CC2)s1 587012107 GFGYBUIEWZLZMM-UHFFFAOYSA-N 419.348 4.159 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCN(C(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587444948 SSXHDQYAUOFNHY-YADARESESA-N 407.466 4.004 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1ccccc1Br)CC2=O 587455943 HXVBWXZZRVQCSE-FQEVSTJZSA-N 419.271 4.141 0 1 HIAF C=CN1CCCC[C@H]([C@]2(c3cccnc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587477280 XCUYWDTUZPAZOW-NBGIEHNGSA-N 420.509 4.373 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cnc(=S)n(C)c1N)CC2=O 587492386 OSCQPNCSKIPFPE-HSZRJFAPSA-N 421.522 4.299 0 1 HIAF O=C(NCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCc1ccccc1 587573108 RPOFUPCZSJWLHN-TZIWHRDSSA-N 419.433 4.039 0 1 HIAF CCOC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599728 ZJMHATHTUUMFOS-WZSOFCAESA-N 418.445 4.449 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2Br)N1 587685550 RIQHFBDFLGMKEY-ANRSDYALSA-N 400.089 4.369 0 1 HIAF CC(C)Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CO 587789928 DUSCDGHPBQXBSX-YUNKPMOVSA-N 408.311 4.491 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=S)N(C)C)cc2)N1 587845785 SKROFEJJCPYMNY-VOJFVSQTSA-N 423.351 4.437 0 1 HIAF CC(=O)Nc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587856712 YZCPHSLEJWCIPQ-CQLKUDPESA-N 412.328 4.109 0 1 HIAF COc1ccc(F)c(-c2nc3c(NCC4CCN(C)CC4)c(Cl)cnc3[nH]2)c1 653799621 VHEJPABHDQBDDB-UHFFFAOYSA-N 403.889 4.180 0 1 HIAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c(-c3cccc(N)c3)c[nH]c12 1772599604 RNQKTBIWHKGRDH-UHFFFAOYSA-N 409.449 4.470 0 1 HIAF COc1cc(-c2c([C@@H]3O[C@H](OC)[C@H](C)[C@H]3C)cc3c(c2OC)OCO3)ccc1O 2356410703 BDGXQQPRVHLWJO-DNMHFWELSA-N 402.443 4.121 0 1 HIAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3c(C=Cc3ccc(Cl)cc3)ccc2=O)CC1 2356852695 QSNVHUPEOLGEKF-CTNGQTDRSA-N 423.988 4.185 0 1 HIAF O=C(CCc1nc2cccnc2n1Cc1ccccc1)NCCc1ccc(Cl)cc1 4901256 GVFPZIFXNREUEA-UHFFFAOYSA-N 418.928 4.425 0 3 HIAF COc1ccccc1NC(=O)Cc1csc(NC(=S)Nc2ccc(C)cc2)n1 13478184 QBWBWKNJWQZLKC-UHFFFAOYSA-N 412.540 4.450 0 3 HIAF aggregator Cc1cccn2c(CN[C@@H]3CCCc4ccccc43)c(C(=O)N3CCCCC3)nc12 13596550 DCIGKDIMOHHIRQ-OAQYLSRUSA-N 402.542 4.436 0 3 HIAF CCC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)c(F)cc1c2=O 61921265 ZGRZDYYHOXUCQR-SFHVURJKSA-N 405.404 4.402 0 3 HIAF O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@H]1n1cc(C2CC2)nn1 61923788 YZURTNKNJIUDGQ-NJDAHSKKSA-N 414.962 4.420 0 3 HIAF O=C(Nc1ccccc1)Nc1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)sc12 3938428 VOEZCTHQVJCHAX-IBGZPJMESA-N 420.538 4.369 0 1 HIAF CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)[C@H](O)C(C)(C)C 3939644 PGZQBZCWIHOLGU-AEFFLSMTSA-N 411.554 4.012 0 1 HIAF COc1ccc(CN[C@@H]2C[C@@H](C(c3ccccc3)c3ccccc3)OC[C@H]2O)cc1 13648562 RUVPTFYWDPFBOR-SDHSZQHLSA-N 403.522 4.135 0 1 HIAF COc1cc(C[C@H](C)NCc2ccccc2)c(OC)cc1I 26017161 HHZGSRWUNZMEDM-ZDUSSCGKSA-N 411.283 4.029 0 1 HIAF O=C1C=C(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)CO1 45358576 CHEQBNZJRBHHQT-UHFFFAOYSA-N 406.913 4.215 0 1 HIAF in-vivo O=S(=O)(c1ccccc1)c1ccc(C2=NN3C(c4ccccc4)=CS[C@@H]3N2)cc1 49110525 FICSPENSGNLGOQ-JOCHJYFZSA-N 419.531 4.115 0 1 HIAF CC(C)(C)NC(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103495 YBAVFWWTDQXMDS-FQEVSTJZSA-N 400.954 4.387 0 1 HIAF COc1ccc(Oc2cc(N(CCO)Cc3ccccc3)ncn2)c2ccccc12 82067392 VSJDGDKXCDERSP-UHFFFAOYSA-N 401.466 4.430 0 1 HIAF O=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(OC(F)(F)F)c3)n2)CC1 95555240 NWFVGBIXGVRSLW-UHFFFAOYSA-N 417.387 4.496 0 1 HIAF Cn1c(SCC(=O)Nc2nc3ccccc3s2)nc2c3ccccc3nc-2c1O 100705234 UVOSACPKYAGBJH-UHFFFAOYSA-N 421.507 4.119 0 1 HIAF O=C1CCc2ccc(OCCCN3CCN(c4cccc5sccc45)CC3)cc2N1 115085176 OESURDJKQAMNOQ-UHFFFAOYSA-N 421.566 4.377 0 1 HIAF CC[C@H](C)C(=O)N1CCC[C@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167548777 WEQQVFKYQCOVRV-JTSKRJEESA-N 422.529 4.045 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@@]12C 169713466 WNENMRZSIGSSCW-NHPZEPEBSA-N 400.607 4.190 0 1 HIAF CN(C)C(C)(C)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1 202064371 IYKHRHJAYVFASS-UHFFFAOYSA-N 400.526 4.080 0 1 HIAF Cn1cncc1-c1ccc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 223652138 BCHGUZHBMYZIGP-UHFFFAOYSA-N 424.545 4.091 0 1 HIAF Cc1cc(C)cc(Nc2nccc(-n3cc(CN4CC[C@@H](O)C4)c(C4CC4)c3)n2)c1 473117980 JIAIBKLNKDXEMB-OAQYLSRUSA-N 403.530 4.072 0 1 HIAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C(C)(C)C)nc2[nH]1 586980158 LOJQMDCVADGBLI-UHFFFAOYSA-N 418.291 4.418 0 1 HIAF O=C1c2ccccc2-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)nc3ccc(O)c1c23 586987513 CCBURQNXDHDQSQ-UHFFFAOYSA-N 418.408 4.248 0 1 HIAF CN1CCN(c2ccc3nc([C@@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3c2)CC1 587075776 KFLITNINSWMBSH-QFIPXVFZSA-N 409.965 4.305 0 1 HIAF CCOC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587336212 JPMHVBQBWWXPAK-XUZZJYLKSA-N 421.424 4.377 0 1 HIAF CCn1cc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587342225 MFYOGOQQRQUJFL-NDVPHPNFSA-N 421.472 4.077 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O[C@H](C(=O)O)c3ccccc3)cc1)O2 587399331 IHIANVOTORPUGR-VXKWHMMOSA-N 403.434 4.488 0 1 HIAF C[C@]1(c2ccc(NC(=O)CCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587513831 UOPZTSDVDJTIFW-XMMPIXPASA-N 407.466 4.249 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Cl)=COc1cc(O)ccc12 587552227 OVPQVBTXZNOXNR-SIKLNZKXSA-N 408.793 4.428 0 1 HIAF CN(CCC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N=O 587569996 HSTDPMNQAFOWOB-NZQKXSOJSA-N 419.437 4.038 0 1 HIAF C[C@H](C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O 587573456 WPFMSNWAVSJNCY-WJDFUICOSA-N 422.408 4.499 0 1 HIAF COc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575469 BYTPFUYKVRSPOC-ZJSXRUAMSA-N 419.433 4.150 0 1 HIAF C[C@]1(c2cccc(N3CCC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583320 RPYYZPBZBSIAQI-XUZZJYLKSA-N 401.418 4.006 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587586994 DUMBQWALFOENNU-AVRDEDQJSA-N 407.422 4.217 0 1 HIAF CC(C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CO 587597233 UIUSEKYTDQQOCM-URXFXBBRSA-N 406.434 4.375 0 1 HIAF CCN(CC)Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)o1 587659945 LLUNEQNZXLNDOE-UHFFFAOYSA-N 419.456 4.326 0 1 HIAF Cc1cnn(Cc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c1 587756412 DKKFKEUNRCZFEN-BUXKBTBVSA-N 404.283 4.358 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(C2CCOCC2)N1 587774151 LSGFUMXKEBOWET-ZUOKHONESA-N 405.311 4.188 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC3C[C@H]2CC(C(=O)O)(C3)C1 587824958 DVTFMMUTAKBDHI-JPYRYYCLSA-N 408.311 4.229 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(Cl)c(C)nn1C 587864740 KBTQKTBAKFJPQR-UHFFFAOYSA-N 412.799 4.351 0 1 HIAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4cccc(OC)c4)cc3)nc2c1 587930116 HBQYLDDAERPROU-UHFFFAOYSA-N 420.490 4.263 0 1 HIAF c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1ncc(-c2nccs2)[nH]1)C3 653726672 YWFOKNNLAYJRDF-IEBWSBKVSA-N 405.527 4.369 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc([C@@H]3CCCCO3)o2)N1 962705545 NUACNBQDMAILNA-RLFYNMQTSA-N 413.367 4.367 0 1 HIAF CCCCCN1C(=O)[C@]2(NCCc3cc4cccc(OC)c4nc32)c2ccccc21 963040472 WYQKGVJAYSQNIA-VWLOTQADSA-N 401.510 4.170 0 1 HIAF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc(Cl)n1 963199037 VPVDJZFCVVAPIF-IAQYHMDHSA-N 405.203 4.404 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@]21CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 963258153 OCRMGUQNALIKTM-IRLDBZIGSA-N 419.974 4.415 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(OCCN2CCCCC2)cc1 963269896 MHDLSDHECOVNMT-QHCPKHFHSA-N 400.950 4.448 0 1 HIAF Cc1ccc(-c2cc3c(=N[C@H](CC4CCC4)P(=O)(O)O)nc[nH]c3s2)cc1 1772643112 AEOZNSOWXBNICL-KRWDZBQOSA-N 403.444 4.195 0 1 HIAF Cc1c(C)c2ccc(OC[C@H]3CCCN(Cc4cccc(CO)c4)C3)cc2oc1=O 1857600095 JFAXGIYNMLALLU-NRFANRHFSA-N 407.510 4.193 0 1 HIAF O=C(O)CCc1ccc(NC(=O)c2nnc(Cc3cccc(Cl)c3)s2)cc1 1857760802 RDJBTIIDIZXZRV-UHFFFAOYSA-N 401.875 4.052 0 1 HIAF CC1=C(CC[C@@](C)(O)C=CCC(=CC[C@H]2OC(=O)C=C2CO)CO)C(C)(C)CCC1 2356421192 BTSJKOQHESKBDD-RDGATRHJSA-N 418.574 4.143 0 1 HIAF COCCN1CC[C@H](CNCc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 13594584 BPOGDFBKCQFMJQ-JOCHJYFZSA-N 418.585 4.214 0 3 HIAF COc1ccc(-c2cncc(-c3cc(NCCCn4ccnc4)nc(C)n3)c2)cc1 1736592 RTNISYKHTHYZTG-UHFFFAOYSA-N 400.486 4.221 0 1 HIAF c1ccc(OCc2nnc(CCCCc3nnc(COc4ccccc4)o3)o2)cc1 13645640 WAZGKDJKJCJCIW-UHFFFAOYSA-N 406.442 4.176 0 1 HIAF CCCNC(=O)[C@@H](CC(C)C)SC[C@H]1CCCN1C(=O)OCc1ccccc1 28096554 UPVVGIMUGKWOTB-WOJBJXKFSA-N 406.592 4.462 0 1 HIAF CCCNC(=O)C[C@]1(C)[C@@H](OC(C)=O)CC[C@H]1[C@H]1CCc2cc(OC)ccc2C1 28366586 QJIFJABLIXCGPV-CHLMOITFSA-N 401.547 4.064 0 1 HIAF C[C@@H]1CC(=O)Nc2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21 28527238 KSEHPHIHVMQGKQ-MRXNPFEDSA-N 406.555 4.107 0 1 HIAF CC1(C)C[C@]2(CN(Cc3ccc(Br)cc3)C(=O)CO2)c2ccccc2O1 40848183 IWOMHISQLWDWBJ-NRFANRHFSA-N 416.315 4.265 0 1 HIAF O=C(O)C(=O)N(Cc1ccncc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 40862752 ZADIQPROZVLPCY-UHFFFAOYSA-N 416.355 4.265 0 1 HIAF CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc2cc(Oc3nc4cnccc4s3)ccc2o1 95595156 ALVGFUKVAKXBOD-HOTGVXAUSA-N 420.494 4.035 0 1 HIAF CN(C1=NC[C@]2(S1)c1ccccc1N(C(=O)OC(C)(C)C)[C@H]2O)c1ccccc1 96938430 VOBOGJIMLMFNJL-AVRDEDQJSA-N 411.527 4.195 0 1 HIAF Cc1csc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)c2)n1 169311680 TWQGOQVHWIYADY-UHFFFAOYSA-N 421.931 4.182 0 1 HIAF CCCn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)c1=O 169729170 YPNSBGOGGSWUSZ-UHFFFAOYSA-N 424.520 4.001 0 1 HIAF CC1=NC(=O)N[C@H](c2ccc(OCc3ccccc3)cc2)[C@@H]1C(=O)OCC(F)(F)F 169729891 FMSSAOIOPAOJCC-QZTJIDSGSA-N 420.387 4.213 0 1 HIAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1-c1ccc(N)cc1Cl 222359350 LRHALWOPMLQBBG-UHFFFAOYSA-N 403.873 4.122 0 1 HIAF O[C@@H]1C[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)c2ccccc21 586905202 ZJEYECASIWCFBU-GXSJLCMTSA-N 409.081 4.052 0 1 HIAF CC(C)COc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1Br 586957890 AJABGQARFMHLEK-UHFFFAOYSA-N 401.326 4.457 0 1 HIAF COc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1C 587002809 HFKSTYHKDNJUGO-NSHDSACASA-N 401.260 4.278 0 1 HIAF O=C(CCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(Cl)cn1 587082762 VEMIMGVQUMSJEI-UHFFFAOYSA-N 404.179 4.231 0 1 HIAF CCOc1ccccc1[C@](N)(c1nc2c(Cl)cnc(Cl)c2[nH]1)C(F)(F)F 587091130 BVLHUCUXWDFKID-HNNXBMFYSA-N 405.207 4.428 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c3c(c1)OCCCO3)O2 587370526 FSAFXGGVRMRSJT-INIZCTEOSA-N 404.260 4.208 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)O2 587394850 JTQXAKHMWNONIZ-CEXJFXJFSA-N 400.519 4.481 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)N1CCN(Cc3ccccc3)CC1)CC2=O 587474616 IWEAQYMZHNFCCP-DEOSSOPVSA-N 422.569 4.275 0 1 HIAF O=C(c1cccnc1)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623740 NXTIBVWVDCFWKF-UHFFFAOYSA-N 418.254 4.495 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2N2CCOCC2)N1 587722545 SLIQXKRCKXOCQC-MPBGBICISA-N 423.301 4.188 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587728057 QVRWFHNZNIXDJI-NSPYISDASA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587761030 NFPWCFMKVWKHDC-ZUCKAHLUSA-N 413.331 4.421 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587790709 HRWDRJCATXQUGE-XCLFUZPHSA-N 406.295 4.238 0 1 HIAF CCOC(=O)[C@]12CCCC1=C[C@]1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792893 DFPUMHLCPZPBOB-OCCQLPPTSA-N 408.311 4.381 0 1 HIAF CN(C(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O)c1cccc(F)c1 653669346 BPZOUMFIFRETCA-UHFFFAOYSA-N 420.440 4.107 0 1 HIAF COC(=O)c1ccc(NC(=O)C[C@@]2(C)c3ccsc3CCN2Cc2ccco2)cc1 962709301 QZKXRPHPWXPGMT-QHCPKHFHSA-N 424.522 4.430 0 1 HIAF CC[C@]1(c2cc(F)c(F)c(F)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962967459 NGSJGFFTSLZYTK-FZKQIMNGSA-N 405.750 4.288 0 1 HIAF Cn1c(-c2ccc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)o2)nc2ccccc21 963239047 ZPPCXCKBDPHBDL-WMZHIEFXSA-N 424.460 4.070 0 1 HIAF OC[C@@H]1CCc2c(sc3nc(-c4ccc(CN5CCCCC5)cc4)nc(O)c23)C1 1772570841 LOGVVPKWWVTVLM-MRXNPFEDSA-N 409.555 4.147 0 1 HIAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)C[C@@H]3[C@H](C)CC[C@@H]4C5=C(C(=O)O[C@@H]5C[C@@H]4C)[C@@]3(O)C[C@H]12 2356334598 JZCCXPJAWWWRFI-RGNXUKDGSA-N 402.575 4.095 0 1 HIAF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4054187 CMYMUHYIOASOOD-IRLDBZIGSA-N 411.933 4.034 0 1 HIAF O=C(CCCCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC12CC3CC(CC(C3)C1)C2 13725788 LHTCPUPSLZUZHR-UHFFFAOYSA-N 418.541 4.202 0 1 HIAF O[C@@H](CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1 22927417 QXSQEZQXOARTKZ-DEOSSOPVSA-N 420.553 4.127 0 1 HIAF CC[C@H](NC(=O)N1C(=O)[C@](C)(CC)[C@@H]1Oc1ccc(C(=O)O)cc1)c1ccccc1 26494016 KXVVCQBRJHTYLS-HARLFGEKSA-N 410.470 4.209 0 1 HIAF CC[C@@H](O)[C@H](O)n1c(=O)c(-c2ccccc2C)c(-c2ccncc2)c2ccccc21 29040020 DUVVQFBTVHFVNE-QPPBQGQZSA-N 400.478 4.301 0 1 HIAF CC(C)=CCC1(CC=C(C)C)C(=O)[C@@H](C(=O)C(C)C)C(=O)[C@@](O)(CC=C(C)C)C1=O 40429776 SLIXMIXEBCIOLT-CLOONOSVSA-N 416.558 4.335 0 1 HIAF biogenic CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCN(C)C)cc1 40865780 ROXBNNWLTLUZPU-UHFFFAOYSA-N 422.573 4.069 0 1 HIAF CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Br)cc1 42890307 DEGZPBLBUABPPE-IBGZPJMESA-N 419.319 4.143 0 1 HIAF CC(=O)c1ccc(N2[C@H](C)c3nc4ccccc4c(=O)n3[C@@H]2c2cccc(O)c2)cc1 45299821 SFOMIHGBLXEVRX-OYLFLEFRSA-N 411.461 4.433 0 1 HIAF Cc1ccc(C(=O)N2CCc3cc4nccc(N5CCN6CCC[C@H]6C5)c4cc32)cc1 45303151 LGQKRZRNCFXHLB-NRFANRHFSA-N 412.537 4.031 0 1 HIAF CS(=O)(=O)c1ccc(/C(=C\C2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1 64539424 GAHXSOLFWSJFQA-XNTDXEJSSA-N 410.948 4.412 0 1 HIAF c1cc(-c2nn(C3C[C@@H]4CC[C@H](C3)N4)cc2-c2ccc3c(c2)Cc2c[nH]nc2-3)ccn1 71340655 IUXJVYUKPTXHGQ-WCRBZPEASA-N 408.509 4.362 0 1 HIAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@]1(C)c1cccc(C(F)(F)F)c1 73167307 ZUDXFSXGZSJDTO-NHCUHLMSSA-N 422.399 4.278 0 1 HIAF Fc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)cc1 82185657 RTWIOUVIGYBIGH-KRWDZBQOSA-N 409.490 4.485 0 1 HIAF OC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 95873441 DKXOAUTXQRCGFG-VJGNERBWSA-N 413.565 4.173 0 1 HIAF CC1(C)C[C@@H](NC(=O)Nc2ccc(Cl)cc2)c2cc(NS(C)(=O)=O)ccc2O1 169340002 MNNQMMBIFSLWIQ-MRXNPFEDSA-N 423.922 4.135 0 1 HIAF CC1(C)[C@H](O)CC[C@]2(C)[C@@H](COc3ccc4ccc(=O)oc4c3)[C@@](C)(O)CC[C@@H]12 169409635 WNANPKYNOALKIV-MOMULLCKSA-N 400.515 4.136 0 1 HIAF O=C(O)[C@H](CC(=O)C1(S)Cc2ccccc2C1)Cc1ccc(Br)cc1 219763629 SDLXIQOVPDXHPJ-INIZCTEOSA-N 419.340 4.119 0 1 HIAF O=S(=O)(/C=C/c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccccc1 586924278 OGQKGQWFZHXCGT-VOTSOKGWSA-N 403.332 4.057 0 1 HIAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cncnc4[nH]3)cs2)cc1 587014064 ICBUCJPVKHHUIP-UHFFFAOYSA-N 408.487 4.414 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cnc(Cl)s4)[nH]c3c2)cc1 587022906 DSNLBBCLLSDPFS-UHFFFAOYSA-N 420.903 4.149 0 1 HIAF O=C1COc2cc3[nH]c(-c4cc(Cl)cc(-c5ccc(CO)cc5)c4)nc3cc2N1 587067605 HALQWEHGTKXAOE-UHFFFAOYSA-N 405.841 4.374 0 1 HIAF CC1=C(c2ccc3nc([C@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3c2)NNC(=O)C1 587077617 UUMVVIGCNFOCOH-HXUWFJFHSA-N 421.932 4.309 0 1 HIAF Cc1nc(N(C)C)ncc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587194200 AMXQUAHBKRBSAA-UHFFFAOYSA-N 400.202 4.176 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4ccccc4)n1)[C@@H](C2)C3=O 587450813 KZZQAAIZUYXPFL-KKSFZXQISA-N 406.463 4.325 0 1 HIAF O=NCC1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587569203 FVVHHYWFHTYPBX-NFBKMPQASA-N 401.374 4.292 0 1 HIAF CC(C)OC(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587707498 UUTRKYPUHJHTPA-RFAUZJTJSA-N 412.221 4.222 0 1 HIAF COc1nc(N2CCCC2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587765979 LPHLMHRQPOAZGU-HXPMCKFVSA-N 420.326 4.216 0 1 HIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1O 587805672 HDBRGKIBBAIJLD-OVWNDWIMSA-N 410.283 4.109 0 1 HIAF COc1cc(OC)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809635 UONSWICDYJNQKR-YBTHPKLGSA-N 424.310 4.412 0 1 HIAF Cc1cc2c(cc1F)[C@](C)(c1cnc3[nH]cc(I)c3c1)NCC2 962086925 BGIHGYYTWDZTGZ-SFHVURJKSA-N 421.257 4.024 0 1 HIAF Cc1ccc([C@]2(CC(C)(C)C(=O)O)NCCc3c2c(C(C)C)nn3C)cc1Cl 962915119 FUCYOQGRSLMWQB-QFIPXVFZSA-N 403.954 4.396 0 1 HIAF O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccc(NCc4ccccc4)cc23)c1 1772624650 LTKZCFJVDKEUFE-QXMHVHEDSA-N 412.449 4.421 0 1 HIAF O=C(N[C@H]1CC[C@@H]([C@@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1)c1ccccc1 1857596272 GGPLEOHHSWNDKN-ITNQAFBNSA-N 401.510 4.193 0 1 HIAF Cc1cc(C)c2cc(C(=O)NC3CN(c4cc(Cl)nc(Cl)c4)C3)ccc2n1 1857640642 RVJSGPVQCUHCBT-UHFFFAOYSA-N 401.297 4.172 0 1 HIAF O=C(Nc1ccc2c(c1)OCCO2)[C@H](C1CC1)N1CCC(Cc2ccccc2)CC1 72135718 KPLZRTGCHKRZSR-DEOSSOPVSA-N 406.526 4.130 0 3 HIAF CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1c(F)cccc1Cl 776897 ODOAOUINKNEWNR-ZDUSSCGKSA-N 418.852 4.310 0 1 HIAF Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccccn3)ncc12 13641634 QZDZRDATWGQUSE-UHFFFAOYSA-N 400.280 4.116 0 1 HIAF Fc1cc(-c2ccccc2OC(F)(F)F)cc(-n2nnc(-c3ccccn3)n2)c1 28397401 CXKBLLTXEPZWEJ-UHFFFAOYSA-N 401.323 4.429 0 1 HIAF O=S1(=O)N=C(Nc2ccccc2Oc2ccccc2)Nc2c(O)cc(Cl)cc21 28822733 MMQIFRNECQUCRE-UHFFFAOYSA-N 415.858 4.420 0 1 HIAF COCC(=O)N1CCC(c2ccccc2)(c2nccn2[C@H](C)c2ccccc2)CC1 28822928 TXWOTCVSUZXJMH-HXUWFJFHSA-N 403.526 4.047 0 1 HIAF CC(C)N(CC[C@@](CCN1CCCCC1)(C(N)=O)c1ccc(F)cc1F)C(C)C 40827867 FBMLHRHNMHDSBE-HSZRJFAPSA-N 409.565 4.073 0 1 HIAF CC1(C)C(=O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@@H]5C(=CC[C@H]4[C@]3(C)CC[C@@H]12)CO[C@H]5O 40953147 KHYDTIKDUFOUBY-QPLORUKHSA-N 402.575 4.096 0 1 HIAF O=C(CSc1ccccc1)Nc1c(Cl)ccc2nc(N3CC[C@@H](O)C3)ccc12 43059661 UPRXMPSPUSMLAQ-CQSZACIVSA-N 413.930 4.190 0 1 HIAF COc1cccc(C(=O)[C@@H]2C[C@@H]2CN2CC=C(c3c[nH]c4ccc(OC)nc34)CC2)c1 45323286 GSNLSTHOWFWZIF-UYAOXDASSA-N 417.509 4.188 0 1 HIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 62224616 JMYIOPXOWQIGMI-KRWDZBQOSA-N 411.420 4.455 0 1 HIAF O=C(Cn1cccc1-c1nnc(C2CCC2)o1)Nc1ccc(Br)cc1F 65035778 LTRIZZSZASOWIS-UHFFFAOYSA-N 419.254 4.346 0 1 HIAF O=C(c1ccccc1Cl)n1c(-c2ccc(S(=O)(=O)O)cc2)nc2ccccc21 66251422 IKFGXGJYABOBHY-UHFFFAOYSA-N 412.854 4.292 0 1 HIAF CC[C@@H](C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2c(n1)N(C(C)C)CN2 70719241 NIOYZQFWTBLLCD-CZUORRHYSA-N 404.946 4.290 0 1 HIAF CCC[C@@H](Oc1cnn(-c2cccc(C)c2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 73240582 AESZMKKULCOPFY-JOCHJYFZSA-N 421.497 4.305 0 1 HIAF COC(=O)CNC(=O)Oc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 84634676 GOYHKLAHXZOVHY-UHFFFAOYSA-N 418.449 4.135 0 1 HIAF O=C(Cc1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 95878467 NODNRZMCCGMLDV-NZJKTDFXSA-N 416.496 4.411 0 1 HIAF CC(=O)Oc1ccc([C@H]2CC(=O)c3c(O)cc(OC(C)=O)c(CC=C(C)C)c3O2)cc1 103203973 NCSPYAZBFFVPPG-OAQYLSRUSA-N 424.449 4.458 0 1 HIAF O=C(Nc1ccc(C2CCN(CC3CCOCC3)CC2)cc1)N1Cc2ccncc2C1 165846251 FSTWSGZMUXALCE-UHFFFAOYSA-N 420.557 4.235 0 1 HIAF CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(C(F)(F)F)c4)nn23)cc1 169306667 GSACSHRAXKODHQ-UHFFFAOYSA-N 417.412 4.486 0 1 HIAF Cc1cc(-c2ccc([C@H](C)Nc3ncc(F)c(N4CCOC4=O)n3)nc2)ccc1F 205145479 NUKCLTBGGMSGTG-ZDUSSCGKSA-N 411.412 4.255 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C(C)(C)CSC)[nH]c2c1 586969449 SAHJBHQPVMKCRM-UHFFFAOYSA-N 405.545 4.013 0 1 HIAF COc1ccc(C(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1F 587144656 PKDQGNCAVPHUDA-UHFFFAOYSA-N 415.424 4.493 0 1 HIAF Cc1cc(Cl)cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 587185140 XWXMMNHQPOIFTG-ZDUSSCGKSA-N 411.674 4.372 0 1 HIAF O=C(c1ccnc(Cl)c1Cl)c1c(CO)oc2cc(Br)cnc12 587277022 WONZZUCTBNFFCZ-UHFFFAOYSA-N 402.031 4.015 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@@H]1CCCO1)O2 587370056 AVAPEZZVBMBLNS-AZUAARDMSA-N 402.288 4.379 0 1 HIAF COC(=O)C(=O)C[C@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531149 JXJBRZCDFJCRKF-NRFANRHFSA-N 418.898 4.273 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Br)s1 587615041 VDTNAJVGFHXRJZ-CJNGLKHVSA-N 404.241 4.314 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C)o3)c(=O)c3ccccc23)c(O)c1 587664296 DMDUDYGUNHUJML-UHFFFAOYSA-N 417.465 4.205 0 1 HIAF COC(=O)C[C@@]1(Cc2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587725563 DXJNANYOEKVOMT-MPBGBICISA-N 424.285 4.263 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)O)c3ccccc23)N1 587757143 NGZDZZZGUXEWBQ-YBTHPKLGSA-N 417.278 4.251 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C)N(C(=O)OC(C)(C)C)C2)N1 587761931 RHJPNRKKWMJXRX-CLUVUEOHSA-N 413.331 4.347 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)cc3c2N(C)CCC3)N1 587768383 UZZSLLQPCRLRSQ-FKIZINRSSA-N 417.322 4.407 0 1 HIAF Cc1nn([C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1Br 587871777 BLJBVDOYBUWSDE-JTQLQIEISA-N 405.227 4.272 0 1 HIAF CC(=O)N1CCN(c2ccccc2[C@@H]2NCCc3cc(-c4ccccc4)ccc32)CC1 962664186 FXRJZBHWUPLSEC-HHHXNRCGSA-N 411.549 4.257 0 1 HIAF CC(C)=CCOc1ccc(-c2cnc(-c3ccc(CN4CCN(C)CC4)cn3)o2)cc1 1772656006 JZLLMJQOVTXBAR-UHFFFAOYSA-N 418.541 4.496 0 1 HIAF CC=CC(=O)N(Cc1ccco1)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356875140 ZZWJAVCRIXZEQH-DEOSSOPVSA-N 418.493 4.251 0 1 HIAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cccc(CN)c21 28952248 CIXXEIGRIUIJLL-UHFFFAOYSA-N 405.546 4.287 0 1 HIAF CCCc1nc(CC)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1C 29571365 AKEYYLKOJLQOTE-UHFFFAOYSA-N 414.513 4.414 0 1 HIAF CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 39380943 KNXMRHQILFADJG-NRFANRHFSA-N 420.582 4.256 0 1 HIAF CC1(C)C[C@H](C(=O)NCCCNCc2ccccc2OCc2ccccc2)C(C)(C)N1 40640554 RZOXANXIDDFXSS-JOCHJYFZSA-N 423.601 4.028 0 1 HIAF CNC(=O)c1ccc(C)c(-c2nnc3ccc(Sc4ccc(F)cc4F)cn23)c1 45349829 SIKKUKPHFOGWLT-UHFFFAOYSA-N 410.449 4.494 0 1 HIAF O=C(C1CCCCC1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 72142729 HZEFRJAOHMCOAO-JOCHJYFZSA-N 414.500 4.005 0 1 HIAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1ccc(C(F)(F)F)cc1 73141822 QBHOSUNKLBANFW-AZUAARDMSA-N 408.372 4.104 0 1 HIAF COCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(F)cc2)n1 82141732 MOXYTGADYBOMOT-UHFFFAOYSA-N 402.514 4.095 0 1 HIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)c(OC)c2)cs1 82195530 BDTBRGMBUFWDIT-KRWDZBQOSA-N 403.548 4.103 0 1 HIAF CN(c1ccc([C@](O)(c2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 84690371 JMAHWDNJLLYEPP-HXUWFJFHSA-N 421.440 4.310 0 1 HIAF O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OC[C@H]2c1ccccc1 95555328 SPCANSRMNWNAPX-NRFANRHFSA-N 402.494 4.436 0 1 HIAF CC(=O)N1c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2[C@H](NC=O)C[C@@H]1C 117385931 SQABPUFSJZTJLQ-MHECFPHRSA-N 405.542 4.272 0 1 HIAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cc(C)cc(C)n3)c2)c1 201556212 BCXWSAXVDJMAMF-UHFFFAOYSA-N 417.469 4.190 0 1 HIAF C[C@H]1SCC[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C1N 201831948 DURSUKKEHOKMQQ-WYRIXSBYSA-N 406.914 4.224 0 1 HIAF Cc1c(F)ccc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc12 586944179 NIVLZMCULXHSNG-UHFFFAOYSA-N 415.515 4.260 0 1 HIAF Cn1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1C(F)(F)C(=O)O 586987094 RZMPCVNMHCZJBH-UHFFFAOYSA-N 420.371 4.334 0 1 HIAF O=C1CCc2cc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3cc2N1 586998861 QPQASMVRYMEHMY-HNQUOIGGSA-N 412.243 4.109 0 1 HIAF CCOC(=O)c1cc(Br)c2nc(C(=O)Nc3ccccc3Cl)[nH]c2c1 587060992 YJRBGGBEWRRALM-UHFFFAOYSA-N 422.666 4.408 0 1 HIAF N[C@H](N=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116235 AFBCLDJFBYOZJK-MRXNPFEDSA-N 412.803 4.275 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(Br)ncc2[nH]1 587168159 TXZATUTUVNMUOL-AWEZNQCLSA-N 404.243 4.229 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C[C@H]3CC4(C[C@H]3C2)OCCO4)[C@@H]1c1ccc(F)cc1 587357009 MBGXSOPMMBNLFL-JMJIWTKESA-N 410.441 4.192 0 1 HIAF COc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587386296 VGHWIKRRKZUGAS-DEOSSOPVSA-N 421.424 4.332 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCc4c1ccc(OC)c4Br)[C@@H](C2)C3=O 587416578 BHFQELGDLOEJDI-XOBRGWDASA-N 401.256 4.055 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 587483787 DOZNXHFPIRUHQN-JIQFQSSQSA-N 401.503 4.468 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc3ccccc3c12 587590771 AMHICHDZKMXRPX-OFVILXPXSA-N 409.397 4.355 0 1 HIAF CC1(C)Cc2nc(N)sc2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587616785 GYVQYATZYMLWPL-AOMKIAJQSA-N 408.479 4.260 0 1 HIAF COC(=O)CC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587731918 MAJGNFBAZIUXIV-MPBGBICISA-N 424.285 4.458 0 1 HIAF Cc1ccnc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587739633 BUNBAFHUYRKONL-BUXKBTBVSA-N 406.299 4.070 0 1 HIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1-n1cncn1 587762055 WXEDGHXJRFHHCI-BUXKBTBVSA-N 401.283 4.101 0 1 HIAF CCOC(=O)[C@@H]1CCSCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587856975 JUGGBHFOOGTATD-SUFBMKPHSA-N 416.356 4.024 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587950656 NLBCEKDNMJNLCO-UHFFFAOYSA-N 417.575 4.127 0 1 HIAF CCCC(/C=C1\C[C@](CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O)CCC 1772631873 GNIYOZALILMSSH-VHFIJRQBSA-N 413.514 4.156 0 1 HIAF CC1(C)[C@H](CNc2ccc(F)cc2C(F)(F)F)[C@H]1c1ccc(S(N)(=O)=O)cc1 1857585974 IAHMOVCJGYUIAG-NVXWUHKLSA-N 416.440 4.344 0 1 HIAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5ccccc5)c(Cl)c4)c12)CCC3 1857616625 RDYMFYSKBGUKLK-UHFFFAOYSA-N 417.900 4.156 0 1 HIAF O=C1c2ccccc2CCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857644462 OJYOSRIPIOKKLN-SFHVURJKSA-N 406.432 4.132 0 1 HIAF CC1(C)O[C@]2(CC3=CCC[C@]45C[C@]34[C@H](O[C@@H]5c3ccoc3)O2)C[C@@H]1[C@H]1C=CC(=O)O1 2356669603 HRRBKEHQHRGAFZ-JPPKHXJLSA-N 410.466 4.187 0 1 HIAF CC(C)CCCCCCCC[C@@]1(O)C=C[C@H]2N(CCCCCNC(=N)N)CCCN21 2356819535 FCOYUTPAQLUJJA-LADGPHEKSA-N 421.674 4.009 0 1 HIAF O=C(NC1CCCCC1)[C@H](C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21 95569990 PGQNXSNGCKHBSB-QHCPKHFHSA-N 401.510 4.464 0 3 HIAF COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 772747 UGFAVJZEAMHPMC-TZIWHRDSSA-N 410.857 4.350 0 1 HIAF Cn1c(O)c(C2=NN(c3ccccc3)[C@H](c3ccccc3O)C2)c(=O)c2ccccc21 3846545 UQOIFDQHOXBVDL-NRFANRHFSA-N 411.461 4.305 0 1 HIAF biogenic CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)cc1 4036806 FUYIUFXFFSABAU-VWNXMTODSA-N 415.493 4.076 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NC[C@@H](O)CC 4151940 RNXNCZKHKKZYJL-APTRMMRNSA-N 424.541 4.188 0 1 HIAF CSc1ccc(C[C@]2(CCC(=O)N3CCc4sccc4C3)CCC(=O)N2)cc1 12217856 VZFCPGVIJPVHND-JOCHJYFZSA-N 414.596 4.026 0 1 HIAF CC1(C)Oc2ccc(C(=O)c3ccccc3)cc2[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1O 27519352 DUZBLSGNHVRCAO-GGAORHGYSA-N 419.452 4.060 0 1 HIAF Cc1cc(Cn2cc(C(=O)C(=O)Nc3ccc4ncccc4c3)c3ccccc32)on1 29414025 BTOQKLFDMZFTQR-UHFFFAOYSA-N 410.433 4.356 0 1 HIAF Cc1cccc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1 40899709 IBJSNKQFWUJSQW-UHFFFAOYSA-N 402.450 4.041 0 1 HIAF O=C(Nc1ccncc1)C(=O)c1cn(-c2cc3c(cc2Cl)OCO3)c2ccccc12 45347597 RBZFXRUCSZSDMM-UHFFFAOYSA-N 419.824 4.229 0 1 HIAF CCOc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 49016980 CLADBLWFXVASRD-HSZRJFAPSA-N 419.521 4.370 0 1 HIAF CCOCCCN[C@H](CC(C)C)c1nc(-c2ccccc2)c(N2CCOCC2)o1 72182860 FWXMMOVETLHFTN-HXUWFJFHSA-N 401.551 4.282 0 1 HIAF C[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73223199 MGIAWEQCVGZBOI-NRUITVPNSA-N 418.534 4.385 0 1 HIAF COCCCNC(=O)c1cnc(NCC2CC2)nc1-c1ccc(-c2ccccc2)cc1 82153001 MVYQRZYQVOSPRF-UHFFFAOYSA-N 416.525 4.399 0 1 HIAF OCC1CCN(c2ncncc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1 95559833 YXXAGTZFDNFVSI-UHFFFAOYSA-N 416.485 4.098 0 1 HIAF COCc1csc2nc(-c3ccccc3NC(=O)c3cnc4ccccc4n3)cn12 96921390 UVDOUMFKTFQPMB-UHFFFAOYSA-N 415.478 4.405 0 1 HIAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc3cccnc23)cc1 142357478 OXFCHNPZNFKIEJ-MDWZMJQESA-N 415.474 4.115 0 1 HIAF O=C(O)CCCn1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144880326 DXRFOBYFYFQEHW-FQEVSTJZSA-N 420.362 4.333 0 1 HIAF C[C@H]1COc2c(CNc3ccc(F)c(Cl)c3)c(F)cc3c(=O)c(C(=O)O)cn1c23 146696976 SGBPIVKKAPHVPG-VIFPVBQESA-N 420.799 4.197 0 1 HIAF O=C(NC1(CO)CCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148220656 IBEZKADUSVFMGB-UHFFFAOYSA-N 404.470 4.047 0 1 HIAF COCc1cc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)ccc1OC 200418217 BBTHHHMKVPOZQP-SQJMNOBHSA-N 418.493 4.212 0 1 HIAF COc1cc(O)cc(Nc2ccc(C(=O)Nc3ccccc3)c(OCCCN)c2)c1 213030803 TUABKEMVLJKHPG-UHFFFAOYSA-N 407.470 4.124 0 1 HIAF in-vitro CC(C)C(=O)C[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)C3=CC[C@@]21C 261526042 YYSZRBSSGDXVTR-OWTHIMASSA-N 418.618 4.263 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1 586935022 FVNJFZWKIUVEEM-CQSZACIVSA-N 413.927 4.128 0 1 HIAF Cc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Cl 586945518 HPCSEEMMLBEKOS-UHFFFAOYSA-N 407.904 4.325 0 1 HIAF CN(C)C(=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586978290 ZQICXSHVVCMFOX-UHFFFAOYSA-N 408.683 4.260 0 1 HIAF Cc1nn(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C)c1Br 586978714 CXOKHUIZLAPFRB-UHFFFAOYSA-N 411.307 4.018 0 1 HIAF Cc1nn(Cc2nc3cc(Br)c(F)cc3[nH]2)c(C)c1Br 586978743 FIWCPHFKQSBFHK-UHFFFAOYSA-N 402.065 4.089 0 1 HIAF NC(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587017844 PQHQVCCQZUJZJW-UHFFFAOYSA-N 419.329 4.200 0 1 HIAF CCOC(=O)C[C@H](C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107210 QRQJUVZXHMBTSY-SFHVURJKSA-N 403.434 4.046 0 1 HIAF CN(C)CCOc1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587217099 AZWFRQHQENNJBP-HSZRJFAPSA-N 414.509 4.023 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4ncccc14)[C@@H](C2)C3=O 587432536 QGLZQXPVDGWGOX-YWZLYKJASA-N 406.438 4.317 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 587488556 PQCCREVSKPPGQK-KFOHMRLHSA-N 401.503 4.468 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H]1COC[C@H]2CN(Cc2ccccc2)C1 587519260 XCBUPRKXMHZLHD-VSVJTWGKSA-N 403.522 4.048 0 1 HIAF COc1cc(F)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587559330 WFXFXXSJEZERHU-OFNKIYASSA-N 410.397 4.426 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cncc1Br 587573137 XXGFBHGLRMFKDM-LPHOPBHVSA-N 416.202 4.392 0 1 HIAF Nc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1N 587577799 LWCHHNMTGQEKMH-ZEQKJWHPSA-N 424.456 4.462 0 1 HIAF COC(=O)[C@H](C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592280 JSCQCQLZSZDXKU-CCQPRUGESA-N 404.418 4.058 0 1 HIAF COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)O[C@H](C)C2 587617944 RPHZAXDSQNCHTD-LOZXMOLPSA-N 404.418 4.427 0 1 HIAF COC(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 587801433 GHOLDHRDCAUKBV-PRWKNARSSA-N 417.278 4.020 0 1 HIAF COc1cc(OC)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809618 UONSWICDYJNQKR-BIBXISHDSA-N 424.310 4.412 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc(N)sc3c2)N1 587856052 HYJGCQCCEVXFPV-NIVTXAMTSA-N 406.324 4.578 0 1 HIAF Cc1cc2c(o1)CC(C)(C)C[C@@]21c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962665090 KPPREYXXUMQQSO-JWQCQUIFSA-N 404.510 4.451 0 1 HIAF O=C(O)CCCCCC[C@]1(c2c(F)cccc2F)NCCc2c(C(=O)O)cccc21 963119218 CYKXQSZRQRCHHQ-QHCPKHFHSA-N 417.452 4.478 0 1 HIAF Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(N3CCOCC3)c2c1 1772573895 QIESLDWQMWJTPK-UHFFFAOYSA-N 420.893 4.005 0 1 HIAF Cc1ccc(-c2c(N)c(-c3ccc(Br)cc3)nc3nc(O)nc(O)c23)cc1 1857632755 MVJSNCSZKGVXNB-UHFFFAOYSA-N 423.270 4.423 0 1 HIAF CC(=O)n1cc(C(=O)Nc2cc(Br)cc(C(=O)O)c2)c2ccccc21 1857748422 UMZWDCLWQYVIRC-UHFFFAOYSA-N 401.216 4.014 0 1 HIAF O=C1[C@H](Cc2ccc3c(c2)OCCO3)CCCN1c1ccc(Br)cc1 1911574799 FLUIYNDRXGDUEM-HNNXBMFYSA-N 402.288 4.206 0 1 HIAF COC(=O)C1=CCCC(C)=C[C@@H]2OC(=O)C(C)=C2C[C@@H](OC(C)=O)C(C)=CCC1 2356496438 JQCWXJKSJTVECI-RTWAWAEBSA-N 402.487 4.116 0 1 HIAF C[C@@]12C=C[C@@]3(C1)[C@H](O)C[C@@H]1[C@](C)(COC(=O)CCC(=O)O)CCC[C@@]1(C)[C@H]3CC2 2356576246 SGSLKSWEAHEFTA-KEMNTINCSA-N 404.547 4.334 0 1 HIAF CC1(C)[C@H]2CC[C@]3(C)[C@H](C[C@H](O)[C@@H]4[C@H]([C@@H]5C=CC(=O)O5)CC[C@]43C)[C@]2(C)CC[C@H]1O 2356638374 BHCIGQMFNDFUAU-SKYNHGJLSA-N 416.602 4.485 0 1 HIAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356697100 JHTXRKPGWPKLQU-IPMKNSEASA-N 411.546 4.249 0 1 HIAF C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)c2cc3sccc3n2C)C1 4101437 RGDVXUUUSIMRPJ-PKOBYXMFSA-N 423.582 4.230 0 3 HIAF COc1cccc(-c2cnc3c(NC=O)cc(-c4cccc(NC(C)=O)c4)cn23)c1 61929269 HPXFXBMFKYGXTE-UHFFFAOYSA-N 400.438 4.204 0 3 HIAF CCOC(=O)C1=CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1CC 95566865 JUDGMPRLUMJQJT-FCHUYYIVSA-N 413.539 4.399 0 3 HIAF Cc1cccc(C)c1NC(=O)[C@]1(C)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 199397075 RPJAOXLIZUSQQC-SANMLTNESA-N 419.569 4.288 0 3 HIAF Cc1cc(C)cc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2cccs2)c1 201440876 VPZPBKQRUQDIJI-UHFFFAOYSA-N 420.600 4.255 0 3 HIAF CCCN1CCC(=O)N([C@@H](CSc2ccc(OC)cc2)Cc2ccccc2)CC1 13830471 JKBJHINYZNNCSN-OAQYLSRUSA-N 412.599 4.343 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H]3CCCC[C@@H]3O)CN(C)[C@@H]1C2 27518272 GSCVQDHIWDOSEW-DUTLYACBSA-N 410.558 4.029 0 1 HIAF C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]2[C@@H](OC(=O)C(C)(C)C)C1 27986823 VOBAOLPIGHOVNW-AQRMQOPESA-N 404.547 4.196 0 1 HIAF CCC(=O)[C@@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@@H]1N2C 36271280 RDOXVARXZHCHTF-BKBUGSPTSA-N 417.718 4.490 0 1 HIAF CC1=C2CC[C@@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)Cc2cn(S(C)(=O)=O)nc21 40655792 ZAKWQKHIANOUEX-YZKULWDZSA-N 418.603 4.014 0 1 HIAF CC(C)N(CC[C@](CCN1CCCC[C@@H]1C)(C(N)=O)c1ccccc1F)C(C)C 58528842 HNJSVUQOEWVGOF-RDPSFJRHSA-N 405.602 4.322 0 1 HIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(C(F)(F)F)c1 58569250 KEGRARLDUKAFTF-QGZVFWFLSA-N 411.420 4.455 0 1 HIAF CC[C@H](Cc1ccc(F)c(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1)C(=O)O 64379346 NIVXPYZQZUTEBY-CQSZACIVSA-N 413.367 4.308 0 1 HIAF CCCCNCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72180719 MHJGEVBPXABXKI-HNNXBMFYSA-N 423.401 4.285 0 1 HIAF NCCCCCC(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 73373275 SDBAEXLGIPHAEK-DEOSSOPVSA-N 417.553 4.415 0 1 HIAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)NCC3CCCCC3)C2)co1 82069368 IFXVLUVFUQVETI-IBGZPJMESA-N 409.530 4.199 0 1 HIAF COCCn1c(CCc2ccccc2)nc2c(NCc3ccc(F)cc3)ncnc21 82185841 BJWMXOTXCBPKEI-UHFFFAOYSA-N 405.477 4.009 0 1 HIAF Cc1nccn1-c1ccc(Sc2cccc(C3(C(N)=O)C[C@H]4CC[C@H](C3)O4)c2)cc1 101024356 NJAUDUPYDIZYIU-WOJBJXKFSA-N 419.550 4.396 0 1 HIAF CC(=O)Nc1cccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)c1 101404321 JVDZVSPDCULASE-UHFFFAOYSA-N 406.507 4.237 0 1 HIAF NC(=O)CCc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113654963 XUBHFJGWXWMFCJ-UHFFFAOYSA-N 410.521 4.424 0 1 HIAF C[C@@]1(c2cc(NC(=O)c3ccc(-c4ccc[nH]4)cn3)ccc2F)C=CSC(N)=N1 147028753 YZPGFBRFPHAZQQ-NRFANRHFSA-N 407.474 4.259 0 1 HIAF C[C@H]([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)[C@H]1C[C@H]1C(=O)O 299848609 SPBCVLSZAPVLJN-WJBNOQCBSA-N 404.591 4.334 0 1 HIAF CSc1sc(-c2nc3cnc(Cl)[nH]c-3n2)c(Cl)c1S(=O)(=O)C(C)C 586919824 HYKICWLIRZMGEN-UHFFFAOYSA-N 423.372 4.244 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Cl)nc2[nH]1 586938421 VUFIPZRSEAJEND-CQSZACIVSA-N 424.979 4.001 0 1 HIAF Fc1cc2[nH]c(-c3cnn4cc(Br)cnc34)nc2cc1C(F)(F)F 587006389 MSYRRJDBPIHLKZ-UHFFFAOYSA-N 400.133 4.193 0 1 HIAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(C)c(Br)cnc2[nH]1 587065040 KPMQBVIPIPZIFC-UHFFFAOYSA-N 410.655 4.082 0 1 HIAF CS(=O)(=O)c1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587138195 ZRNVVMCOCOLBKQ-UHFFFAOYSA-N 403.660 4.188 0 1 HIAF Cc1ccc(CCc2nc3c(Br)cnc(Br)c3[nH]2)cc1N 587250521 KYYAUDZPSSZROD-UHFFFAOYSA-N 410.113 4.159 0 1 HIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587259451 HMRHFZNCDUCWSV-HNNXBMFYSA-N 422.407 4.168 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1cc(C)cc3oc(=O)c4c(c13)CCC4)O2 587407419 IICXPHGRFCZHOJ-RUZDIDTESA-N 419.477 4.284 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CN4CCC[C@H](C)C4)c1)[C@@H](C2)C3=O 587439834 WTZVTUGELNXAPI-PCKXHRCSSA-N 407.510 4.424 0 1 HIAF CCCc1c(O)ccc2c1OC1(CCN(CCc3ccc(OC)cc3)CC1)CC2=O 587479593 ULROHJCFEHTPRP-UHFFFAOYSA-N 409.526 4.396 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1cccc(C)n1)([C@@H](O)c1cccc(C)n1)CC2=O 587485822 KWTXGXOABUFNPM-LOSJGSFVSA-N 418.493 4.346 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCSCC2)o1 587620607 ZWCCZIAVVJRFJC-REWPJTCUSA-N 423.490 4.237 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587695999 KKOCNLFKXATFOU-ASCAZGACSA-N 409.686 4.280 0 1 HIAF CCOC(=O)[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587727139 ARCVIQWIZVUFQU-JEOXALJRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(C2CC2)N1 587759040 ZYIFXRQBZZFWAV-NSPYISDASA-N 413.331 4.252 0 1 HIAF CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587775561 RUPGWYIHJFNGOM-JTBRQZTESA-N 421.310 4.080 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 962949846 RPQFNEHMQIUYRU-GYCJOSAFSA-N 411.546 4.087 0 1 HIAF C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CC[C@H](c3ccc(O)cc3)C(F)(F)C2)C1=O 1772603827 VORAXNUWZGHPKU-RVHYNSKXSA-N 418.459 4.318 0 1 HIAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@H]2c1ccccn1 1772648428 TVNDSRRWCNPNBH-FQEVSTJZSA-N 411.465 4.241 0 1 HIAF CNC(=O)N1CCC[C@@H](CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)C1 1857548272 HEYPOORFOFYNED-NRFANRHFSA-N 421.585 4.308 0 1 HIAF COc1cc(C=Cc2cccc(O)c2)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](O)C2 2356397693 QJARFBWPVJNMLR-RCZVLFRGSA-N 420.461 4.323 0 1 HIAF COC(=O)CC[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(=O)[C@]12C 2356507320 ZNRVRJLOYAQJBW-YAGUTZDVSA-N 416.558 4.162 0 1 HIAF Cc1ccccc1C[C@]1(C)C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc21 61929761 AHSIUPYCIWYTAM-QHCPKHFHSA-N 412.555 4.059 0 3 HIAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1ccc(F)cc1 770560 VWBKPQDPJVWQRS-JTHBVZDNSA-N 422.456 4.268 0 1 HIAF CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1)c1ccccc1 4036612 VYCKZVITPZGWLA-GMAHTHKFSA-N 403.482 4.014 0 1 HIAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1ccc(Br)cc1F 8605837 IFEGVTCQXMUBCJ-UHFFFAOYSA-N 418.188 4.012 0 1 HIAF O=c1nc(Nc2ccccc2)[nH]c2c1ncn2CCCCN1CCC[C@@H]2CCCC[C@@H]21 13644896 WHNWGLBSXQAFNX-ICSRJNTNSA-N 420.561 4.298 0 1 HIAF COc1ccc(Cl)c([C@@]2(F)C(=O)Nc3c(I)cccc32)c1 25979441 ZDPYQOLUKROVSN-OAHLLOKOSA-N 417.605 4.118 0 1 HIAF COc1ccccc1CN1N=C(c2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C1=O 26572267 HVZVPGFXFPHGPA-MOPGFXCFSA-N 408.498 4.265 0 1 HIAF Clc1ccc2c(c1)CCc1cccnc1[C@@H]2N1CCN(CCc2cccnc2)CC1 27988873 QWHQOLBRGJTMOG-RUZDIDTESA-N 418.972 4.178 0 1 HIAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)CC[C@H]1F 28229878 KQPSUDMVEYUKEU-IRDKLXQLSA-N 419.518 4.436 0 1 HIAF CCOC(=O)N1CCC(c2ccccc2)(S(=O)(=O)c2ccc(Cl)cc2)CC1 28340459 IZUORZWWEJPTQV-UHFFFAOYSA-N 407.919 4.262 0 1 HIAF CC[C@@H](C)c1nc2c(=O)n(Cc3ccccc3)nc(C)c2c2cc(-c3ccccn3)nn12 28525337 WSUOIQJLCOZSMB-MRXNPFEDSA-N 424.508 4.371 0 1 HIAF COc1cccc(C(=O)c2ccc3c(-c4ccc(OCC(=O)O)cc4)nocc2-3)c1 28569054 UEICUKQIEGINLM-UHFFFAOYSA-N 403.390 4.149 0 1 HIAF COc1ccc2cc3[n+](cc2c1NCCCCCCN)CCc1cc2c(cc1-3)OCO2 40973580 QCMIBZYOEYMAJH-UHFFFAOYSA-O 420.533 4.019 0 1 HIAF Cc1cccc(COc2cc(NC(=O)c3ccccc3)ccc2N(C)S(C)(=O)=O)c1 45286751 FRBOEHDVJMXEHP-UHFFFAOYSA-N 424.522 4.222 0 1 HIAF COc1ccc(C(=O)c2c(Cl)c(OC)c(OC)c(OC)c2Cl)cc1OC 53243678 YPJQKSVFKDRCJN-UHFFFAOYSA-N 401.242 4.267 0 1 HIAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(C(F)(F)F)cc3)sc12 64560346 HTXWRTSJPYJHNQ-ZDUSSCGKSA-N 420.460 4.245 0 1 HIAF Cc1ccc2cc(-c3[nH]nc4ccc(NS(=O)(=O)c5c(C)noc5C)cc34)[nH]c2c1 66066345 JJLKCRKCPULHMV-UHFFFAOYSA-N 421.482 4.425 0 1 HIAF Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(C(N)=O)ccc21 66251464 RTMKJNVIHXHNIO-UHFFFAOYSA-N 411.549 4.435 0 1 HIAF CCC[C@@H](Oc1cnn(-c2ccccc2C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 73240576 HBSDYCRTVGTKLE-JOCHJYFZSA-N 421.497 4.305 0 1 HIAF O=C(O)C[C@H]1NCCc2c1[nH]c1ccc(OCc3cccc(OC(F)(F)F)c3)cc21 114896379 XSKYHUWGLCRQFU-GOSISDBHSA-N 420.387 4.307 0 1 HIAF CC(C)[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 139226928 JEABWAOASJZMJP-INIZCTEOSA-N 402.930 4.102 0 1 HIAF Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)c(C)c1CC(=O)O 141400367 RZIJRZHFZWXZAI-UHFFFAOYSA-N 415.852 4.220 0 1 HIAF COCO[C@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 169359762 ASVJPCQXPWNHDI-CMOCDZPBSA-N 403.469 4.295 0 1 HIAF CCOc1ccc(-n2c(O)cc(N3CCN(c4ccc(Cl)cc4)CC3)c2O)cc1 169693801 ZCBLBBPGTJGGRP-UHFFFAOYSA-N 413.905 4.267 0 1 HIAF Clc1ccc(-c2ccc(-c3ncnn3-c3ccc(N4CCNCC4)cc3)o2)cc1 299825404 JFJJUGQSEOKEKC-UHFFFAOYSA-N 405.889 4.257 0 1 HIAF COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 299852157 OIENFPLDTOZTHU-NRFANRHFSA-N 400.434 4.415 0 1 HIAF O=C1CCc2cc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3cc2N1 586998862 QPQASMVRYMEHMY-IWQZZHSRSA-N 412.243 4.109 0 1 HIAF CCOc1cc(/C=C\c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1OC(F)F 587130445 MJFDZNGAEZODTK-XQRVVYSFSA-N 400.307 4.494 0 1 HIAF CCOC(=O)Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167462 NMLLCGZINGOADQ-LJQANCHMSA-N 410.449 4.177 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)ncc(C)c2[nH]1 587179940 BATGKVFFKXPYMW-MRVPVSSYSA-N 415.666 4.359 0 1 HIAF COc1cc2c3c(c1)O[C@](C(=O)c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587429415 TVMMOBVNMZVFDM-YADARESESA-N 406.384 4.499 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C=C(C)Oc4c1c(OC)c1ccoc1c4OC)[C@@H](C2)C3=O 587455437 MMZKYMDQEHTPQC-IZHWHUGBSA-N 420.417 4.398 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2cc(F)ccc2c1=O 587572992 UIKMASFQQOGVRV-WMZHIEFXSA-N 404.349 4.341 0 1 HIAF CC(C)(C)C(=O)Nc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580619 SWMFOGJWNAHUHL-WIYYLYMNSA-N 418.449 4.475 0 1 HIAF COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587594908 PUDSNOCONOTHBL-NZQKXSOJSA-N 408.406 4.121 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NCCc1ccccc1 587658381 NZCDRVQFQYGODK-UHFFFAOYSA-N 421.472 4.307 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sc(N)nc2C(F)(F)F)N1 587711779 IHNFMXVYELXQPW-RCNPXXIZSA-N 424.261 4.443 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587754916 FLFFYUGIUKQVLG-ZMZPIMSZSA-N 409.347 4.135 0 1 HIAF CCOC(=O)COc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587798806 ZKWPMPVYQCNNAX-ODXCJYRJSA-N 422.294 4.154 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(CCc3cccc(OC)c3)nc2c1 587930163 DUZUJQCSTCYIMS-UHFFFAOYSA-N 403.276 4.296 0 1 HIAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cc(-c3ccncc3)cs2)N1 962635932 KXQFZMRPVAMERN-FUHWJXTLSA-N 420.412 4.397 0 1 HIAF Cc1ccnc2c1CCN[C@@]21CC(C)(C)CC2=C1[C@@H](c1ccccc1)NC(=O)N2C 963066176 FRSXYJGETCCQED-PXDATVDWSA-N 402.542 4.201 0 1 HIAF CO[C@@H]1CC[C@@H](c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)c(F)c3)n2)C1 1772590179 XTXSEHNHNJBSAC-SJLPKXTDSA-N 420.488 4.077 0 1 HIAF CCCN(CCCCCc1ccc(O)c(OC)c1)[C@H]1CCc2[nH]c(=N)sc2C1 1857552892 PXPHOMJZPNVWMG-KRWDZBQOSA-N 403.592 4.252 0 1 HIAF O=C(Nc1ccccc1)c1cc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)on1 61903594 CKHSOOAOWPMHIV-IBGZPJMESA-N 403.482 4.266 0 3 HIAF CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1C)S2 95552621 FQKAVFJMJRUZJG-HBEGMLAUSA-N 421.566 4.294 0 3 HIAF COc1ccc(-c2cnn(C(C)(C)C(=O)Nc3ccc4oc(C)nc4c3)c2)cc1OC 205228536 LZGPFMHVESCPJN-UHFFFAOYSA-N 420.469 4.391 0 3 HIAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3ccc(OC)nc3OC)ccc21 28702585 HJGNVEGNZJXIIP-UHFFFAOYSA-N 411.483 4.027 0 1 HIAF CCN1CCC[C@H](n2cc(S(=O)(=O)c3ccc(Cl)cc3)c3cccnc32)C1 28862321 ALCXYHPCAIHWAC-INIZCTEOSA-N 403.935 4.179 0 1 HIAF Cc1cc(/C=C/c2ccccc2OC[C@@H](O)CN[C@H](C)CCc2ccc(O)cc2)on1 29232279 SRGALVVKLPDAAI-RBMSINGPSA-N 422.525 4.210 0 1 HIAF Cc1cc(C)c(S(=O)(=O)N[C@H](Cn2ccc3ccccc32)C(F)(F)F)c(C)c1 35968630 NXRVYSZNJVQSEI-GOSISDBHSA-N 410.461 4.476 0 1 HIAF COc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc(OC)c1OC 40859973 FAIUAVJQNKKQFB-UHFFFAOYSA-N 412.438 4.406 0 1 HIAF CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1ccc(O)cc1)[C@@H](O)C3=O)C=CC(C)(C)O2 43079456 VRUKIMJALJVJOM-VXKWHMMOSA-N 422.477 4.468 0 1 HIAF biogenic COc1cc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)ccc1Oc1ccccc1 100618693 ASSBVLOAZRWYGK-BCTVQRCUSA-N 416.481 4.408 0 1 HIAF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)N1CCCCC1 100705255 OBNZNVNVNCDMBJ-UHFFFAOYSA-N 418.522 4.336 0 1 HIAF c1cncc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)c1 146544053 HYXKALMZDYNXTJ-UHFFFAOYSA-N 423.586 4.082 0 1 HIAF NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(-c2ccccc2)n1 169341671 GBTUAMNNQNLQOL-PZJWPPBQSA-N 401.514 4.273 0 1 HIAF CN(c1nc2ccc(F)cc2o1)[C@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1 203541129 OYIDEBQSYWHTRK-AWEZNQCLSA-N 411.408 4.139 0 1 HIAF COc1cccc(-c2cc(C(=O)N[C@@H](CC(=O)O)c3ccccc3C)cnc2OC)c1 261100404 GEOFOJYELOVYMK-NRFANRHFSA-N 420.465 4.020 0 1 HIAF COC(=O)CC/C=C/CC[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/C[C@](C)(O)/C=C\C1=CCCC1 261193331 ZZVPHCPLTZTOBC-FJLZJTETSA-N 416.558 4.206 0 1 HIAF in-vitro Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586940881 IXPDEOQRGXZOOQ-VOTSOKGWSA-N 413.396 4.120 0 1 HIAF Cc1nc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2cc1Br 587127134 SANCHBYQPHDIMV-KSBSHMNSSA-N 415.217 4.200 0 1 HIAF C/C(=C\[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C 587333612 GVSZAXZMXQVLHI-YIPNONBHSA-N 419.456 4.041 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 587413529 ROCUGKOFSONVFY-RPWUZVMVSA-N 401.418 4.003 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@@H](C(=O)O)c4ccccc4)cc1)[C@@H](C2)C3=O 587441151 ROTBLMFIBJUKGO-WDJPJFJCSA-N 416.429 4.389 0 1 HIAF COc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587444140 SKPWEPANJFFOHV-CJFMBICVSA-N 402.446 4.404 0 1 HIAF COc1ccc([C@]2(c3ccc(O)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587444540 UPEYDOOCEZXNSC-NLFFAJNJSA-N 418.445 4.109 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Br)cc(F)cc12 587506767 LNQCTWNMVZBPAV-HXUWFJFHSA-N 416.246 4.280 0 1 HIAF O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)n1ncc2ccc(Cl)cc2c1=O 587651159 MHGUYAVMAVVWCE-INIZCTEOSA-N 416.308 4.256 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(Cl)cc3)nn2)N1 587702817 WSEDOCBWHNZKEK-XTZNXHDOSA-N 421.701 4.446 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CN(C(=O)OC(C)(C)C)C2)N1 587758191 BWZMZKZUIKLPQR-PIGZYNQJSA-N 413.331 4.421 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C(=O)OC(C)(C)C)c2)N1 587762339 XNJVGEIDLFAJQW-QLJPJBMISA-N 410.287 4.192 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)O)nn3ccccc23)N1 587797731 SBRCMKSCPRCILJ-ADLMAVQZSA-N 418.310 4.087 0 1 HIAF COC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587811269 WEFWTAXGZBMBTR-SAZGQGMLSA-N 418.306 4.101 0 1 HIAF CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 653825440 YYJHCHKMGNACEA-KVEVGEHQSA-N 402.443 4.019 0 1 HIAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962706942 MUPPRYBFKOPXKN-WLENULPWSA-N 400.563 4.049 0 1 HIAF NC(=O)N1CCc2sccc2[C@@H]1c1csc(COc2ccc(Cl)cc2)n1 962719253 WBSJULFOJVBOJF-QGZVFWFLSA-N 405.932 4.463 0 1 HIAF COC(=O)c1cc(Br)cc2[nH]nc([C@H]3NCCc4c3sc(C)c4C)c12 963010354 NOBQHZNAOZFARF-MRXNPFEDSA-N 420.332 4.025 0 1 HIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(C=COC(C(F)(F)F)=C2)N1 963206846 YYLRFEDRFKQBKI-YMTOWFKASA-N 413.701 4.143 0 1 HIAF CCOC(=O)c1sc(Oc2ccc([C@@H]3NCCc4ccc(O)cc43)cc2)nc1C 963350866 DSIXAOJKRQNMAJ-IBGZPJMESA-N 410.495 4.361 0 1 HIAF O=C([C@@H]1CCCN(c2ccc3nc(Cc4ccccc4Cl)[nH]c3n2)C1)N1CCCC1 1772613074 KOFYGASBLYPTEF-QGZVFWFLSA-N 423.948 4.041 0 1 HIAF Cc1ccc(CN2CCN(c3nc(=O)c4cc(C(F)(F)F)ccc4s3)CC2)cc1 1772639484 VMJUQQFDOSYSLC-UHFFFAOYSA-N 419.472 4.306 0 1 HIAF CCOC(=O)[C@H](C(=O)c1ccc(OC)cc1)[C@@H](NC(C)=O)c1cccc2ccccc12 1857550965 XLBJLDIAFCTKRY-GOTSBHOMSA-N 419.477 4.088 0 1 HIAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@@]2(C)[C@@](O)(CCc2ccoc2)[C@@H](C)[C@H]1OC(C)=O 2356705934 JVNDWNJCKQLUBH-ZGSOHPHYSA-N 420.546 4.289 0 1 HIAF O=C1OC(c2ccccc2)=NC1=Cc1cccc(C=C2N=C(c3ccccc3)OC2=O)c1 2356850936 QCDZCIFYVLYLHL-UHFFFAOYSA-N 420.424 4.376 0 1 HIAF O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61926717 UWYPUBATEDIULD-IBGZPJMESA-N 412.804 4.212 0 3 HIAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc2ccccc12 95568512 GPDKSCUJTYQXHM-HSZRJFAPSA-N 421.518 4.383 0 3 HIAF CC[C@@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@H](C(C)(C)O)O2 14585977 AVIZABGQXBMRCJ-CXAGYDPISA-N 422.477 4.469 0 1 HIAF endogenous,in-man CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2[C@H](C)OC(C)=O)c1C 26003586 BANYVCVZKRCIQR-HJFSHJIFSA-N 417.556 4.241 0 1 HIAF CCn1cc(C(=O)N(C)CCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 26578732 JLLNEWPSCRDZGK-UHFFFAOYSA-N 402.416 4.355 0 1 HIAF COc1cc2c(cc1OC)C(C)(C)CO[C@@H]2CCN1CCN(c2ccccc2)CC1 27882050 UGNQQNFIGBOZIT-JOCHJYFZSA-N 410.558 4.265 0 1 HIAF CN1CCN(c2ccnc(Nc3ccc(-c4nc5ccccc5s4)cc3)n2)CC1 40863082 LEIAHMPZLJHAET-UHFFFAOYSA-N 402.527 4.249 0 1 HIAF CCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2CCOC)ccn1 64528282 AHROTNYTNAYDKR-UHFFFAOYSA-N 414.506 4.468 0 1 HIAF O=C(N1CCCC1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 73279833 CIAIGDUPLJRKJZ-SFHVURJKSA-N 406.313 4.394 0 1 HIAF CCOC(=O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)C(F)(F)c1ccccc1 73310056 SGRNLJLJXBPJCJ-VIDFKJSCSA-N 423.500 4.200 0 1 HIAF COc1cc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccco3)n2)cc(OC)c1 82165966 IRRWACKCELUEBY-UHFFFAOYSA-N 406.442 4.372 0 1 HIAF COCCn1c(CCc2ccccc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179653 GWSHHRQAYRWDSH-UHFFFAOYSA-N 419.504 4.052 0 1 HIAF COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@H](CO)N3C)cc1 95600194 YQWIJICZKLPPJF-TUSQITKMSA-N 420.553 4.253 0 1 HIAF CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CCCCC3)cc2)cc1 100108026 ATAYYBNOPZRKIP-OOSCYNTBSA-N 417.597 4.375 0 1 HIAF CCC[C@@H](O)Nc1nc(Nc2cccc(-c3ncccn3)c2)c2ncn(C(C)C)c2n1 103195586 HQRGSBHKKKWODU-QGZVFWFLSA-N 418.505 4.138 0 1 HIAF CC[C@H](C)C(=O)O[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 105489413 PCZOHLXUXFIOCF-WCFXTTJBSA-N 404.547 4.196 0 1 HIAF CN1CCC(CNc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1 113134238 RXIOLPKAVOQIOE-UHFFFAOYSA-N 405.424 4.049 0 1 HIAF CNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1C(F)(F)F 116519292 LACJYBWGTIRTPY-UHFFFAOYSA-N 422.386 4.128 0 1 HIAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(Cl)cc1Oc1ccc(C(F)(F)F)nc1 143180207 NECWBBPMTPYKFR-UHFFFAOYSA-N 409.751 4.487 0 1 HIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2nccs2)n1 167535036 HOHUOHPDNVNIFD-KRWDZBQOSA-N 409.511 4.476 0 1 HIAF COc1ccc(-c2ccc3cc(C(=O)N4CCC[C@H](CO)C4)ccc3c2)c(OC)c1 169305329 KABBSAUCOFENQT-KRWDZBQOSA-N 405.494 4.369 0 1 HIAF Cc1c(C(=O)N2CCc3c(ncn3-c3ccc(F)cn3)[C@@H]2C)cccc1C(F)(F)F 225991088 LVTJEYIMEVVAMN-ZDUSSCGKSA-N 418.394 4.493 0 1 HIAF CC(=O)OCC1=C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@@H]1C[C@@H]3OC(C)=O 238757125 IQQBTSWNKGZDKB-XHPIFXCPSA-N 404.547 4.033 0 1 HIAF O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC3(CCCC3)Oc3ccccc31)CC2 473122358 IYIICTXCKRVVAT-JOCHJYFZSA-N 417.553 4.252 0 1 HIAF COc1ccccc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]32)CC1 504379772 JYQVXEKPJQQPDT-LTMJOFCKSA-N 422.569 4.052 0 1 HIAF biogenic O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(O)c(F)cc32)[C@@H]1c1ccc(F)cc1 587330469 FNJLPUVJKJYOKU-FYYLOGMGSA-N 410.372 4.413 0 1 HIAF COC(=O)COc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587400314 MQQYGWSQZVEWKO-VWLOTQADSA-N 417.461 4.038 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587420378 FYPZZEYIQDJAMF-ARZLJQGISA-N 403.400 4.432 0 1 HIAF Cc1ccc(Cl)c2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587552775 SKWQPLFJKOEQCN-VGSWGCGISA-N 407.809 4.163 0 1 HIAF COC(=O)/C=C/c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587591836 HUDITUSKHZKAFO-OCCMNJJWSA-N 402.402 4.281 0 1 HIAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC 587596165 UXXXHIIDLZEDCW-YKSBVNFPSA-N 422.433 4.295 0 1 HIAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O 587597488 QORKDAOHGJYAKU-UGKGYDQZSA-N 406.390 4.192 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(cc2Cl)OCCO3)N1 587702416 ZIGPPFCNHOQWKT-GLEZIHRCSA-N 413.674 4.031 0 1 HIAF CCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)n1 587720885 OOCKYDQKHFDADG-RTHLEPHNSA-N 406.221 4.447 0 1 HIAF COC[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587723571 BKZYGXMYAWYWAF-MLCYQJTMSA-N 400.238 4.291 0 1 HIAF CCOC(=O)[C@H](c1cccnc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587775554 RUPGWYIHJFNGOM-CYFODOTGSA-N 421.310 4.080 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc4c(cc32)OCCO4)N1 587834217 KDPPZKLFNNRTIN-PRWKNARSSA-N 404.279 4.083 0 1 HIAF Cc1csc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)n1 587849971 CHNLIDNXEFQWNH-NSHDSACASA-N 410.356 4.383 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cnccn3)s2)N1 587854967 SQIPTLWXABDXCD-XXFAHNHDSA-N 405.296 4.125 0 1 HIAF CN(C)CCN(C)CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 653676037 VBQHDWYHHLEMGL-UHFFFAOYSA-N 409.603 4.068 0 1 HIAF C[C@H](Oc1cccc(F)c1)[C@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695923 CQUNGQRVXKRFKY-APTWFODQSA-N 415.358 4.265 0 1 HIAF CCOC(=O)c1cccc([C@]2(CC)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962764288 LFQYZLSBTORJEN-NQIIRXRSSA-N 405.416 4.163 0 1 HIAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1CN(C(C)C)C(C)C 962919571 JNLWNVRSMHCJOZ-JTHBVZDNSA-N 414.521 4.141 0 1 HIAF COc1cc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(F)cc1Cl 962967558 NSEJOSWOBKHUQO-BLLLJJGKSA-N 406.187 4.108 0 1 HIAF CC[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963021486 GGEJKBVKZWBMSE-PUAOIOHZSA-N 406.526 4.345 0 1 HIAF Clc1cc(-c2ccnc(N3CCNCC3)c2)cc(Cl)c1OCc1cccnc1 1772594022 BYEIVWVQTCXXCO-UHFFFAOYSA-N 415.324 4.439 0 1 HIAF CN(C)C1=N[C@@H](c2ccc3cc(OCc4ccc(Cl)cc4)ccc3c2)NC(=N)N1 1857755914 JXDHZQDUEAEXKK-FQEVSTJZSA-N 407.905 4.116 0 1 HIAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)N(C)C)cc21 3993648 UYRXAUJWAVZHMT-LIRRHRJNSA-N 413.370 4.430 0 1 HIAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc(OCC)c1 4043219 FOHGETOOEMEWIG-FYYLOGMGSA-N 409.530 4.159 0 1 HIAF CCCOc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 13862167 RDIJYDYVCVMPSN-UHFFFAOYSA-N 402.446 4.375 0 1 HIAF O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc([C@H](O)C(F)(F)F)cc1 14976834 YKHCWWRCGHFHFR-AWEZNQCLSA-N 413.339 4.040 0 1 HIAF COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C(=O)[C@@H](C)[C@@H](C)C2 15270825 GWGFXKOBEDDHFA-RYUDHWBXSA-N 416.470 4.113 0 1 HIAF biogenic CN1CCN(C(=O)c2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)[nH]c3c2)CC1 40425034 KXLRVOCBJCYVDU-UHFFFAOYSA-N 414.484 4.424 0 1 HIAF c1ccc2c(c1)CN(CC1CC1)CC1(CCN(Cc3c[nH]c4cnccc34)CC1)O2 45226950 FIJPKHXRKHDZOE-UHFFFAOYSA-N 402.542 4.202 0 1 HIAF CN(C)CCN1C(=O)c2cccc3c(NCCSc4ccccc4)ccc(c23)C1=O 45257118 CNYJEDAHPDLJTB-UHFFFAOYSA-N 419.550 4.202 0 1 HIAF O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1)N1CCCC1 82140010 ULHMKCIYPMTWRW-UHFFFAOYSA-N 408.452 4.312 0 1 HIAF O=C(O)[C@H]1CCCN(CCO/C=C\c2cc(F)ccc2Cc2ccccc2F)C1 96923959 LFJRBVHGXKJLHK-DBBZSVRUSA-N 401.453 4.340 0 1 HIAF CN(C(=O)[C@H]1CN(c2ccccc2)C(=O)C1=O)c1ccc(Sc2ccccc2)cc1 100986524 KSGCXNZAKLAMCU-NRFANRHFSA-N 416.502 4.033 0 1 HIAF C[C@@H](c1ccc(O)cc1)[C@H](O)/C=C/[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169311205 XAKUZHBVDGUKLO-QHVBWJFQSA-N 400.515 4.408 0 1 HIAF CCc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220201498 FDMPGPNYXCYCQJ-FQEVSTJZSA-N 422.916 4.191 0 1 HIAF O=C(c1cccc(Cl)c1)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 473090598 WQKUSPIXIQAONS-UHFFFAOYSA-N 405.889 4.235 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 586915815 ILPUFDHWGSACIK-BBATYDOGSA-N 404.239 4.076 0 1 HIAF Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2n1 586969549 MEDAJTXXSPOFHE-GJZGRUSLSA-N 420.542 4.115 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(OC)nc3[nH]2)c1 587050867 RRUJJLGABPQXIG-CMDGGOBGSA-N 413.865 4.010 0 1 HIAF O=C(NCc1nc2ccc(F)c(Br)c2[nH]1)c1cccc(C(F)(F)F)c1 587112304 SIWKRVQLJAXUCB-UHFFFAOYSA-N 416.172 4.413 0 1 HIAF O=C1C[C@H](c2nc3ccc(Br)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150843 UOYHLOGYFAOYCZ-NSHDSACASA-N 406.230 4.120 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587163747 NXZPDXJVEFKBAI-UHFFFAOYSA-N 423.469 4.415 0 1 HIAF Ic1cccc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587183934 LQXFXBDTLCZNPH-WAYWQWQTSA-N 418.234 4.499 0 1 HIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(Br)nc2[nH]1 587198847 SQEMXNBCCBQJHW-UHFFFAOYSA-N 422.286 4.246 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2nc[nH]n2)[C@@H]1c1ccc(F)cc1 587334398 MIYDPGZIGQISCX-NFBKMPQASA-N 419.387 4.091 0 1 HIAF C[C@]1(c2ccc(CC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347374 AKDNUJOHHMYMMU-ISKFKSNPSA-N 406.409 4.433 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cc2ccccc2F)c2ccccc21 587387136 ZRIJULYQAUZZHY-XMMPIXPASA-N 402.425 4.124 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCN1C(=O)OCc1ccccc1)CC2=O 587477301 QJPVHFBKQAZRLZ-DENIHFKCSA-N 409.482 4.480 0 1 HIAF COC(=O)C[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541163 DJSBDQMSKLZEOH-NFBKMPQASA-N 424.836 4.466 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(O)c1 587555713 LTSNZJUFAGTCFY-PXNSSMCTSA-N 400.333 4.402 0 1 HIAF COc1cccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587569184 FSSFHDJKEAOEAX-PDFVGYMYSA-N 417.461 4.333 0 1 HIAF C[C@@H]1CN(Cc2ccccn2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581346 HBYNTKLYQFBDIM-VEDVITAVSA-N 416.477 4.030 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCN(Cc2cccnc2)CC1 587583789 UWVKUDYDKCUJNA-WIOPSUGQSA-N 416.477 4.030 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2N2CCOCC2)N1 587722561 SOBDUSHEVVGVLX-MPBGBICISA-N 423.301 4.188 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O[C@H](C)C(=O)O)c2)N1 587790238 GTRDDBAWGXFZQZ-FKANQGBASA-N 422.294 4.238 0 1 HIAF COC(=O)C[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807576 LVEKXPFZHMNSLR-RNODOKPDSA-N 406.295 4.124 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(C(=O)O)ccc1OC2(C)C 587835991 YIKJRBXIVYTMGS-FVINQWEUSA-N 420.278 4.235 0 1 HIAF Cc1cc2c(cc1C)[C@]1(CC(=O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 587838602 OIGNDFBSBOFSFQ-MPBGBICISA-N 404.279 4.292 0 1 HIAF Cc1cccc2c1OC(C(=O)O)=C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587843560 SOYHEWZABFXLSQ-BIBXISHDSA-N 418.262 4.035 0 1 HIAF Cc1cc2c(cc1O)[C@H](c1ccc(Oc3ccc(F)c(F)c3)cc1)N[C@H](C(=O)O)C2 963522562 FLDQMQGLGVJBQF-UNMCSNQZSA-N 411.404 4.459 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(F)cc2F)C(=O)OC)cc1 1772574432 JPGRXCXCYRVCPJ-IVZQSRNASA-N 419.468 4.353 0 1 HIAF Nc1cc(CNc2nc(Nc3ccccc3)nc(Nc3ccc(F)cc3)n2)ccn1 1772574774 UZRNBSLFDVCHFG-UHFFFAOYSA-N 402.437 4.087 0 1 HIAF Cc1ncc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cn1 11840070 SLGDRZFZLZVKLF-NRFANRHFSA-N 404.489 4.442 0 3 HIAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl)N1CCOCC1 773274 UZEPYMFWEZKDQI-PKOBYXMFSA-N 423.271 4.083 0 1 HIAF COc1ccc(N2Cc3c(c4ccccc4n3C)C2=O)cc1OCCN1CCCCC1 3987587 KEKWPQFWYXGJMB-UHFFFAOYSA-N 419.525 4.212 0 1 HIAF COCCCNC(=O)c1oc2c(c1C)-c1nn(Cc3ccccc3Cl)cc1CC2 8588600 NDBHNWCOFWGDIM-UHFFFAOYSA-N 413.905 4.018 0 1 HIAF CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2cccc(/C=C/CC(F)F)c2)C1=O 35269182 VSAWCPRVIUYQEL-LAEWNIMASA-N 421.394 4.196 0 1 HIAF Cc1nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)nc(C)c1Br 40940441 YAMINYIBKLJXNV-AWEZNQCLSA-N 416.703 4.427 0 1 HIAF O=C(Nc1ccc(-c2nc(N3C[C@@H]4CC[C@H](C3)O4)c3sccc3n2)cc1)NC1CC1 45349023 HBZPGFLLAMADHT-CALCHBBNSA-N 421.526 4.010 0 1 HIAF Cc1cccc(C)c1CNc1nc(-n2ccccc2=O)cc2c(C)c(C)n(CCO)c12 49032631 MONVGMXMCOSOEW-UHFFFAOYSA-N 416.525 4.025 0 1 HIAF O=C1C=C(C(F)(F)F)[C@H]2C=C(N(Cc3ccccc3)CC(F)(F)F)C=C[C@H]2N1 52996777 XXMVSLOGYARTFA-GDBMZVCRSA-N 402.338 4.108 0 1 HIAF CNc1ncnc2c(CNc3cc(NC(=O)c4cscn4)ccc3C)cccc12 64528178 ZDXNWLGIHJWJOT-UHFFFAOYSA-N 404.499 4.301 0 1 HIAF COCCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc(F)cc2)n1 82139649 RZUFDZAHDLPDFW-UHFFFAOYSA-N 400.498 4.136 0 1 HIAF CCn1c(=O)n([C@@H]2CCN(CC3CCCCCCCC3)C[C@H]2CO)c2ccccc21 96888380 VVPMEONTYOZCFV-FCHUYYIVSA-N 413.606 4.429 0 1 HIAF COc1ccc2c(c1)nc(Cc1ccccc1)c(=O)n2C[C@H]1CCCN2CCCC[C@@H]12 96900894 JRSWZSLGRDCLQT-YKSBVNFPSA-N 417.553 4.260 0 1 HIAF O=C(OCCCN1CCOCC1)c1onc(-c2ccc(Cl)o2)c1-c1ccccc1 96909036 JCAMPPWDUBXTRE-UHFFFAOYSA-N 416.861 4.134 0 1 HIAF Cc1ccccc1-n1ncc2c1C(C)(C)CCN([C@@H]1[C@H]3CC4C[C@@H]1C[C@](O)(C4)C3)C2=O 101668461 MKPLGVXEMMRGTK-YEURKVJNSA-N 419.569 4.244 0 1 HIAF OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(Br)ccc2OC(F)F)CCC1 104060022 SJABBBCVOLHQSO-CQSZACIVSA-N 411.206 4.314 0 1 HIAF NCC[C@@H]1CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)c(-c3ccc(O)cc3)n21 223452735 PMKXIEFCLZIQLZ-MRXNPFEDSA-N 415.415 4.180 0 1 HIAF CCN(CC)c1nccc2cnc(Nc3ccc(-c4cnn(C)c4)cc3OC)nc12 224094262 VDRDNFWWLJNATM-UHFFFAOYSA-N 403.490 4.024 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C)c(Cl)cc2[nH]1 586937629 RDOQDKOTWDSGJI-OAHLLOKOSA-N 409.964 4.297 0 1 HIAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cncc(Cl)c4[nH]3)CC2)cc1 586955542 QINFKWRAFSDTGM-UHFFFAOYSA-N 418.950 4.303 0 1 HIAF O=C(O)c1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1 587058249 RBZFDNSYKVDPCC-UHFFFAOYSA-N 414.248 4.445 0 1 HIAF COC(=O)c1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cn1 587110375 SSKXALCXBYCMIQ-UHFFFAOYSA-N 403.282 4.373 0 1 HIAF COc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587578813 RWEZONQSOJOKRR-QPPBQGQZSA-N 414.417 4.289 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583775 UUAMWISPPMSKSU-JPYJTQIMSA-N 411.454 4.124 0 1 HIAF C[C@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599110 ZTLKCIOJDNOXKZ-RCZVLFRGSA-N 417.461 4.106 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](NC(=O)OC(C)(C)C)C2)N1 587741032 FVUSHECBTDGQEM-BLWXERESSA-N 413.331 4.395 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Cn2cccn2)N1 587760708 QAOYEQFOTYGNNZ-ZUOKHONESA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccncc12 587779550 TVWQWNHCFQVCGA-AMXDTQDGSA-N 423.285 4.354 0 1 HIAF O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC[C@H]1c1ccccn1 621477813 NVIPJSRNHGOFDW-IBGZPJMESA-N 418.463 4.466 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc([C@@H]3CCCCO3)o2)N1 962705543 NUACNBQDMAILNA-MPGHIAIKSA-N 413.367 4.367 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(OCc3ccccc3)c(Cl)n1)NCC2 962920483 BHBKLTSZOQNZQA-QFIPXVFZSA-N 421.928 4.251 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C[C@H](C)C(=O)O)c1ccc(Cl)cc1 963603927 CMINHWJPNAHNGR-FBJOKTGGSA-N 403.906 4.246 0 1 HIAF CO[C@@H]1CC[C@H](c2cnc(N)c(-c3ccc(C(=O)NCc4ccccc4)c(F)c3)n2)C1 1772590178 XTXSEHNHNJBSAC-FUHWJXTLSA-N 420.488 4.077 0 1 HIAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC)[C@@H](C)[C@H](C)C2 2356382333 WYKCWLMVRLFACA-UYSIFFEZSA-N 416.470 4.330 0 1 HIAF C[C@@H]1CC[C@@H]2[C@]3(C)O[C@]4(C)CC[C@@]21C[C@@H]4[C@@H]3NCCCCN(C)CCCN(C)C 3806412 JIRJLWLQLDLWSW-XNDBBLGPSA-N 405.671 4.002 0 1 HIAF in-vitro Cc1noc(NS(=O)(=O)c2sccc2Oc2ccccc2)c1Br 26578831 CHSJDJZZUJFWQS-UHFFFAOYSA-N 415.290 4.400 0 1 HIAF CC(C)(C)c1ccc2c(c1)[nH]c(=O)n2C1CCN(C[C@@H]2COc3ccccc3O2)CC1 27882655 VZVQQFGFPFYKIP-LJQANCHMSA-N 421.541 4.104 0 1 HIAF COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1cccc(Cl)c1)CC2 28522551 HINHZLXQRNBPOF-IYBDPMFKSA-N 413.949 4.080 0 1 HIAF Cc1nc2c3c(c(C(=O)N4CC(F)(F)C4)cn2c1C)CC[C@@]1(CCc2ccccc21)O3 40420197 PAZVVKBRXMMSIL-HSZRJFAPSA-N 423.463 4.209 0 1 HIAF CCc1c(Cc2c(F)cccc2F)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O 40879829 TVAYYSIDUYFQTD-UHFFFAOYSA-N 418.440 4.315 0 1 HIAF CC(C)(C)OC(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72100976 VYXILGOKQQQIFU-LJQANCHMSA-N 402.926 4.209 0 1 HIAF CCc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 82069004 IKOZWAFIXAQRSE-IBGZPJMESA-N 411.571 4.053 0 1 HIAF CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCCCc3ccccc3)ncnc21 82181828 IPVJODQMRAWADT-HXUWFJFHSA-N 404.562 4.233 0 1 HIAF Cc1cc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cnc1OC(C)C 84596943 ZJGPBTFWGYOMMT-UHFFFAOYSA-N 406.442 4.393 0 1 HIAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 95877376 IYIZTPMKRSYPHV-OLLUBJOZSA-N 416.496 4.411 0 1 HIAF CN1O[C@]2(N=C1N)c1cc(-c3cccnc3)ccc1CC21CCc2ccccc2CC1 140806334 KZZBUPSCDNYBQX-AREMUKBSSA-N 410.521 4.215 0 1 HIAF CNC(=O)N1CC=C(c2cc3c(-c4cc(F)ccc4OC)c(Cl)cnc3[nH]2)CC1 226097815 LHJMUPAYYUKYOW-UHFFFAOYSA-N 414.868 4.460 0 1 HIAF Cc1cc(C)nc(N2C[C@H]3CCN(C(=O)c4ccccc4-c4cccs4)C[C@H]32)n1 261100466 GFFAVKDUYBZUHO-YLJYHZDGSA-N 404.539 4.173 0 1 HIAF O=C(c1cccs1)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 377799894 YZKMGFPYCVEMHP-UHFFFAOYSA-N 410.180 4.411 0 1 HIAF COC(=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1OC 587006126 IAHUOHHOWUFQAW-UHFFFAOYSA-N 400.232 4.040 0 1 HIAF N[C@@H](Cc1ccc(I)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 587186565 YDKBNKVKLDBUAZ-INIZCTEOSA-N 417.294 4.289 0 1 HIAF COc1ccc(NC(C)(C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587201853 XTFCATLHGRNAST-UHFFFAOYSA-N 404.264 4.379 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OC)c(OC)cc4[nH]3)c2)c1 587232343 QDCIHQHZAXGQMG-UHFFFAOYSA-N 401.466 4.198 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)OCC(F)(F)F)c1)[C@@H](C2)C3=O 587418080 AAMHYFBMYMPSHO-MGPUTAFESA-N 421.371 4.469 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423799 ZKKURUHQCNCADH-IERDGZPVSA-N 420.383 4.310 0 1 HIAF C[C@]1(CC(=O)NC2CCCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576692 HPZXFAOMVMCAQI-ZJSXRUAMSA-N 409.482 4.342 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)c1cccnc1 587587899 OOYUKVWHXQJPMH-DHLKQENFSA-N 410.429 4.282 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587587989 IXTJXGKKEQTAQO-NZQKXSOJSA-N 415.401 4.363 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1N1CCCCC1 587597448 VGEYIGMTQRYKKV-OFNKIYASSA-N 402.450 4.480 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccco2)N1 587720371 NAUPFDLPUQEZLH-VVVCHXIZSA-N 402.210 4.183 0 1 HIAF COc1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587745560 WNYDIQLUGDTJIW-ODXCJYRJSA-N 421.310 4.375 0 1 HIAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(I)cc2[nH]1 587787650 PRBZMWTZFUCTGG-UHFFFAOYSA-N 420.250 4.300 0 1 HIAF C[C@H](Oc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O 587798269 ZHUIQEJECWASQR-LIBAHTEVSA-N 408.267 4.064 0 1 HIAF COc1cccc(/C=C/[C@@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587805055 DAHIJQOHWIHZKG-FVFSBHJXSA-N 420.278 4.124 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962723084 ZWLLDIFVMXQQLD-UZUQRXQVSA-N 412.530 4.174 0 1 HIAF COC(=O)c1sc2ncc([C@H]3N[C@H](C)Cc4c(OC)ccc(OC)c43)cc2c1C 963635131 LMQJUMOJMLEHKF-NSPYISDASA-N 412.511 4.032 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(F)(F)CO)cc21 1857575948 CIWQTPWVRADPKB-UHFFFAOYSA-N 408.448 4.425 0 1 HIAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(C2CCCCC2)nn1 1857636295 MAMXEAVQNKIKAZ-UHFFFAOYSA-N 411.453 4.420 0 1 HIAF COc1cc([C@@H]2CC[C@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 2356470600 HERNELJRDZIRJX-YQSSMULNSA-N 416.470 4.014 0 1 HIAF CC=C(C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)C(C)C 2356655229 CBADSRIBFMZVLJ-PMACEKPBSA-N 414.454 4.082 0 1 HIAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356697101 JHTXRKPGWPKLQU-OTWHNJEPSA-N 411.546 4.249 0 1 HIAF COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)Oc1cc(C)cc(CO)c1O2 2356791522 IQUKZMHSFDVXJQ-SFHVURJKSA-N 414.454 4.471 0 1 HIAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C)[C@]23O)c(O)c1 2356823193 GJPPYUYMBBOTKR-SHTTXUNGSA-N 400.515 4.388 0 1 HIAF C[C@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1 1863283 MMOJOYYBEUMETD-BBATYDOGSA-N 411.310 4.066 0 1 HIAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4049687 WDBSOFKIYJKKEL-HOUBMWHVSA-N 406.526 4.322 0 1 HIAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4051580 QXSMWXUTFDQBEL-VIOWHOEJSA-N 418.896 4.094 0 1 HIAF Cc1ccc(NC(=O)CC(=O)N2N=C(N3CCCCC3)C[C@@H]2c2ccccc2)cc1 5541984 GHMIHOYVFLHYTF-OAQYLSRUSA-N 404.514 4.097 0 1 HIAF CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CCO[C@H]2CCCO2)CC1 13797098 BALBTHVJTPFUOX-DEOSSOPVSA-N 417.553 4.349 0 1 HIAF O=C(OC1CCN(Cc2ccc(F)cc2)CC1)C(O)(c1ccccc1)c1ccccc1 13835330 VFMONUOYFULIIW-UHFFFAOYSA-N 419.496 4.269 0 1 HIAF COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C(=O)[C@H](C)[C@@H](C)C2 15270817 GWGFXKOBEDDHFA-NWDGAFQWSA-N 416.470 4.113 0 1 HIAF biogenic CCN(CC)C(=O)c1ccc([C@H](c2ccc3ccccc3c2)N2CCNCC2)cc1 22450853 MWVMUDNSSJWKEV-RUZDIDTESA-N 401.554 4.316 0 1 HIAF Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(N2CCOCC2)ncn1 34802925 MOFGIVYSUWJCHJ-UHFFFAOYSA-N 420.904 4.358 0 1 HIAF CC1(C)NC(N)=NC(=N)N1OCCCCCCOc1ccc(Cl)c2ccccc12 45202171 XYMMWZZKFMITET-UHFFFAOYSA-N 417.941 4.255 0 1 HIAF CN(C)[C@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 60325607 XNHXAWXVLOOHSD-HNNXBMFYSA-N 422.472 4.316 0 1 HIAF Cc1ccccc1CNc1ncnc2c1nc(-c1ccoc1)n2CCN1CCCCC1 82180237 XOSFEGMSIJLPKY-UHFFFAOYSA-N 416.529 4.493 0 1 HIAF Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC(C)C)c1C 95595474 ZBUTVWLKBMCCQB-UHFFFAOYSA-N 423.517 4.010 0 1 HIAF Cc1cc(C)nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)c1 96172454 ZXINXDXOHKEVLN-WIYYLYMNSA-N 415.541 4.179 0 1 HIAF COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4F)CC3)c2cc1OC 96284497 GNFDMFYTUKMSND-UHFFFAOYSA-N 422.504 4.380 0 1 HIAF Cn1c(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc2ccccc21 142240705 XRGGAUVPWVWPOB-MDWZMJQESA-N 417.490 4.058 0 1 HIAF O=C(NCC1(c2ccc(Cl)nc2)CCC(F)(F)CC1)[C@@H]1CCOc2ncccc21 205623314 YGINLXCUJZESTO-OAHLLOKOSA-N 421.875 4.260 0 1 HIAF Nc1ncnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1-c1ccc(F)cc1 219309483 RWXVYBBNECTGIL-FQEVSTJZSA-N 412.896 4.468 0 1 HIAF Cc1cc(N2C(=O)c3nn(C(C)C)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O 220179279 GAFYFVRFEKFZOU-FQEVSTJZSA-N 410.905 4.183 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3 586935381 GTZVBSDARCOCQG-IBGZPJMESA-N 415.584 4.214 0 1 HIAF O=[S@](Cc1nc2cc3c(cc2[nH]1)OCCO3)C(c1ccccc1)c1ccccc1 586959596 KKKUIXHKDAMMSJ-GDLZYMKVSA-N 404.491 4.372 0 1 HIAF Cc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Cl 587186807 UYIKZKCTXQMQQT-UHFFFAOYSA-N 408.630 4.444 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(F)n1 587569445 LFVVULYRIKJKDP-CRAIPNDOSA-N 416.202 4.392 0 1 HIAF CC(C)(C)OC(=O)NC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573641 UBAMORPOLNDPEM-MBSDFSHPSA-N 411.454 4.027 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573752 XFWNDXWRUSWIGF-XUZZJYLKSA-N 422.408 4.342 0 1 HIAF CCOC(=O)N1C=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 587768192 LGJDOCXEYLRIKT-BLVKFPJESA-N 411.315 4.474 0 1 HIAF COc1cc2c(cc1OC)[C@@]1([C@H]3CC[C@@H]1CN(C(=O)OC(C)(C)C)C3)N(C)[C@@H](C)C2 962559414 BWAFXWWNSLOHOF-ZQZZHPMISA-N 416.562 4.052 0 1 HIAF CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618862 DZVQFGSBDOJQAX-FTGWLVSGSA-N 411.542 4.217 0 1 HIAF COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)NCCc2cccc(-c3ccccc3)c21 962669960 PZVPYNJFVJEAGC-VWLOTQADSA-N 421.443 4.153 0 1 HIAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@]1(CSC[C@H]1C)N2C(=O)OC(C)(C)C 962711782 QFIRBPJYUOTZBQ-NBQKENEESA-N 421.534 4.055 0 1 HIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(-n3cnc4ccccc43)cc2)N1 963223436 ATSXKEAGBQBVIU-UKILVPOCSA-N 420.472 4.262 0 1 HIAF Cc1cc(Oc2ncnc3sc4c(c23)CCC4)ccc1-c1c(C)c(O)nc(=O)n1C 1857558994 QLFONZXDWOHSDK-UHFFFAOYSA-N 420.494 4.055 0 1 HIAF O=C(N[C@@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)c(F)c1 1857614653 ZZLQCICPEFYHDA-QHCPKHFHSA-N 413.452 4.371 0 1 HIAF COc1ccccc1CNCCCCCCNC(=O)c1cc(Cl)nc(Cl)c1 1857644970 IRZDPXVHGNXLGP-UHFFFAOYSA-N 410.345 4.477 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@@H]1c1c(F)cccc1Cl 1857746833 XCJPIZMMLHXLKR-MRXNPFEDSA-N 405.882 4.350 0 1 HIAF O[C@@H]1CC[C@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNCc1c[nH]c2ccccc12 2356299802 OMJJSVBAGHRXAL-QFZRFWILSA-N 417.509 4.064 0 1 HIAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C)[C@]23O)c(O)c1 2356823191 GJPPYUYMBBOTKR-GRWVBZMGSA-N 400.515 4.388 0 1 HIAF COc1ccc([C@@H]2CC[C@H](OCCCCn3c(C)nc4cnccc43)O2)cc1OC 11687516 OBNNIOHNWGWSBC-NZQKXSOJSA-N 411.502 4.432 0 1 HIAF COC(=O)N1C(c2ccccc2)=Cc2ccccc2[C@@H]1[C@]1(C(=O)OC)CCCC1=O 13815288 LLDBEKZQWUMNCM-QPPBQGQZSA-N 405.450 4.220 0 1 HIAF CC(=O)OC[C@]1(CCc2ccoc2)C2=C(C[C@H](OC(C)=O)[C@H]1C)C(C)(C)[C@H](O)CC2 15161026 KDRXONPTYSVBIZ-VOMKPBAISA-N 418.530 4.211 0 1 HIAF biogenic COc1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)cc1OC 28473812 RBSTZISGRSENBQ-UHFFFAOYSA-N 401.470 4.024 0 1 HIAF COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc4c[nH]nc4c3)c1NC2 40567249 AOIQIHFTKCPVFU-UHFFFAOYSA-N 420.498 4.499 0 1 HIAF COC(=O)[C@@H](N)C[C@]1(C)C[C@H]2CC[C@@H]1C[C@@H]2C(C)(C)CCNC(=O)CCC(C)C 40587820 UASYBMLHVWZBST-NMFSUFKKSA-N 408.627 4.288 0 1 HIAF CCCCCCC(=O)C(=O)N1[C@H](C(=O)OCCCc2ccccc2)CSC1(C)C 40762867 QVJPICZEWJRMCF-IBGZPJMESA-N 419.587 4.382 0 1 HIAF O=C(Nc1ccc(Cl)nn1)c1cccc(S(=O)(=O)Cc2ccc(Cl)cc2)c1 220645963 FGXZSOQVSBIDAL-UHFFFAOYSA-N 422.293 4.010 0 1 HIAF COc1ccc(OC)c(CNCC(=O)Nc2cccc(OCc3ccccc3)c2)c1 299838225 MKZXDRWRWZZKKA-UHFFFAOYSA-N 406.482 4.011 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(F)c2[nH]1 586936375 MBRHWOKJFSUGIH-INIZCTEOSA-N 407.536 4.092 0 1 HIAF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(O)nc(N)nc2[nH]1 587018605 JSNPOWYWWDGLBU-UHFFFAOYSA-N 421.313 4.397 0 1 HIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587065175 LZEGBHILCKTBSL-UHFFFAOYSA-N 422.872 4.448 0 1 HIAF CCOc1cc(/C=C/c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1OC(F)F 587130444 MJFDZNGAEZODTK-GQCTYLIASA-N 400.307 4.494 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522752 HNPKAZODDCSBLM-VWLOTQADSA-N 424.493 4.397 0 1 HIAF O=C(O)CC[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535835 OGXRICRAQWNWAH-XMMPIXPASA-N 408.450 4.062 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Cl)=COc1cc(O)ccc12 587552228 OVPQVBTXZNOXNR-UGKGYDQZSA-N 408.793 4.428 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1cc2ccccc2o1)C(=O)O 587617913 RDOLKLJQEVQFOY-GBXCKJPGSA-N 416.385 4.166 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\C(=O)O)(c2ccc(F)cc2)N1 587732875 KQTUTWJBAYABBI-ZOUNKIPVSA-N 408.242 4.146 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)C(Br)=C2F)N1 587739258 UXYVSQKCWHADMU-AYVTZFPOSA-N 420.095 4.310 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587804368 BAALODONGFQTFC-GIPWTMENSA-N 406.295 4.329 0 1 HIAF COC(=O)c1cnc(Cl)cc1-n1nc(-c2ccccc2C(F)(F)F)cc1OC 587860835 GDLNJNIECWZIPV-UHFFFAOYSA-N 411.767 4.402 0 1 HIAF CCc1nccn1Cc1nc(-c2cccc([C@@H]3NCCc4cc(C)c(F)cc43)c2)no1 962087462 DZQOADJSKOYELL-QHCPKHFHSA-N 417.488 4.226 0 1 HIAF Cc1ccc([C@@]2(COC(=O)c3ccc(O)cc3)NCCc3ccc(F)c(C)c32)cc1 962142903 HCVXOHASARAIPJ-RUZDIDTESA-N 405.469 4.394 0 1 HIAF COc1cc2c(cc1OC)[C@H](c1c(Br)cccc1N(C)C)N(C)[C@H](C)C2 962568217 DRIPPAKSYFKIDQ-LRTDBIEQSA-N 419.363 4.498 0 1 HIAF Cc1c([C@H]2NCCc3c(C(=O)O)cccc32)c(C)n(-c2ccc(N(C)C)cc2)c1C 963133780 SOHBFOAQZRTRNT-DEOSSOPVSA-N 403.526 4.402 0 1 HIAF C[C@@H]1CC(=O)CC(C)(C)[C@@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963167242 DRVLTVJQMUYQCC-TUUMUUDISA-N 403.828 4.178 0 1 HIAF Fc1ccc(C2(NC[C@H]3CC[C@H](c4nnn5cnc6[nH]ccc6c45)CC3)CC2)cc1 1772651569 OJNUPDMFBHUOFV-WKILWMFISA-N 404.493 4.297 0 1 HIAF NCC(CCN1CCN(c2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1 1857547157 FFVNWKQENJZZRS-UHFFFAOYSA-N 403.545 4.283 0 1 HIAF CCc1ccc(COc2ccc(C3CN(C(=O)c4cccnc4)C3)cc2OC)cc1 1857588987 SGEPPPRKMXIIMZ-UHFFFAOYSA-N 402.494 4.471 0 1 HIAF CC(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3CCc2ccccc2)c1 205227647 MJCRRIUJOPLVMA-UHFFFAOYSA-N 400.478 4.418 0 3 HIAF CC(=O)NCCOC(=O)[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 3830905 HCVIESKVXGEJID-QGZVFWFLSA-N 415.795 4.158 0 1 HIAF O=C([C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)N1CCOCC1 4051331 AFDDYPGUEZLJHR-NOZRDPDXSA-N 412.489 4.304 0 1 HIAF CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@H]2COc1ccc2ccc(=O)oc2c1 5757346 WNANPKYNOALKIV-OIJOUKJNSA-N 400.515 4.136 0 1 HIAF endogenous,in-man CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 13466447 QIZIQMNNPOJZNE-FSDCSDTHSA-N 411.479 4.053 0 1 HIAF COc1cc2c3c(c1O)-c1cc(O)c(Oc4ccc(C=O)cc4)cc1C[C@@H]3N(C)CC2 14612541 WMWVVQBLFFBYNK-IBGZPJMESA-N 417.461 4.463 0 1 HIAF biogenic NC[C@H](c1ccccc1)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 34187057 LNQLQNJWJYFYPW-HXUWFJFHSA-N 413.912 4.362 0 1 HIAF COc1ccc(CSc2nc(CN3CCCc4ccccc43)c(C)c(=O)[nH]2)cc1 72177928 SBWPGGBMKMPJLL-UHFFFAOYSA-N 407.539 4.332 0 1 HIAF O=C(Nc1ccc(Cl)nc1)c1ccc(S(=O)(=O)c2ccc(F)cc2)c(F)c1 84653747 CBMJPJNHXKDIOW-UHFFFAOYSA-N 408.813 4.098 0 1 HIAF COc1cc([C@]23CCCN(CC[C@@H](C(C)(C)C)C2)C32OCCO2)cc(OC)c1OC 95569838 OLIKGRJYXFKMQB-HXOBKFHXSA-N 419.562 4.203 0 1 HIAF Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(-c2cc(F)cnc2Cl)cc1 98209274 UOZIRTCHSJAAOG-SNVBAGLBSA-N 409.870 4.185 0 1 HIAF in-vitro CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1 149633175 UGCQNAADEPXTEH-MRXNPFEDSA-N 420.944 4.468 0 1 HIAF C[C@H](Oc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164780002 WGLDYJDMRXWXMY-HNNXBMFYSA-N 424.464 4.421 0 1 HIAF CC(C)[C@H](CN1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1)NC(=O)Cc1ccc(O)cc1 253638089 MGGUOWHPOJLMQU-LUPFDQBXSA-N 424.585 4.081 0 1 HIAF CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@@H]2C1 299846604 GZJUVUXURINFEI-KJTMENJNSA-N 402.575 4.385 0 1 HIAF CN1CCN(c2ccc(Nc3ncc(Cl)c(-c4c[nH]c5cnccc45)n3)cc2)CC1 299857186 DUQLWBPQEZFAKS-UHFFFAOYSA-N 419.920 4.169 0 1 HIAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccnc(OC)c3[nH]2)c1C 587165585 DUTIZZMWCQRWJD-UHFFFAOYSA-N 422.460 4.302 0 1 HIAF Cc1cc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br 587194167 NHLGNNIETUTBTH-ZDUSSCGKSA-N 411.344 4.151 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(O[C@H](C)C(=O)O)c(Cl)c1)[C@@H](C2)C3=O 587424129 XLQFFZVESJAQML-XFGRJSRNSA-N 423.248 4.343 0 1 HIAF C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587444456 PYOGFJDMYIXNDM-UZINWLIJSA-N 417.505 4.419 0 1 HIAF O=C1C[C@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3Cc2ccccc2)Oc2c1ccc1c2CCCC1 587518266 DMTXLBUHTIKXKI-VJUOEERUSA-N 403.522 4.067 0 1 HIAF C[C@@]1(Cn2ccc(C(F)(F)F)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554154 HSXOSFAQTIYNJZ-LPHOPBHVSA-N 404.344 4.028 0 1 HIAF CC(C)(C)OC(=O)NC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573640 UBAMORPOLNDPEM-JPYJTQIMSA-N 411.454 4.027 0 1 HIAF CCOc1ccc(-c2nn(-c3ncc(C)cc3N)c(=O)c3ccccc23)cc1OCC 587670267 UCZQLJJVLONMDT-UHFFFAOYSA-N 416.481 4.136 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)nc(N3CCCC3)c2)N1 587738068 JUHQRJLOPASZPR-WLRWDXFRSA-N 408.290 4.346 0 1 HIAF Cc1cccnc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587745470 WGQBCDOTVOCSLD-HXPMCKFVSA-N 406.299 4.070 0 1 HIAF Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccccc1 587756862 FYEFAVOYBOTJRS-ODXCJYRJSA-N 415.310 4.275 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587774173 NFPWCFMKVWKHDC-PPHDSNJXSA-N 413.331 4.421 0 1 HIAF CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587799207 RCYLKMSJVMPZSH-LBJGKRIESA-N 418.306 4.101 0 1 HIAF COc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCCO2 587832719 CDGRPDJIDCAWMP-PRWKNARSSA-N 422.294 4.382 0 1 HIAF COc1cc(C)cc2c1OCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587834881 NCPOTHVIWXCTQI-FKIZINRSSA-N 406.295 4.466 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)sc(=O)n3C)N1 587857228 PYWWFUSXPBFXNK-HUTHGQBESA-N 407.308 4.125 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)NCCc1ccccn1 587860397 SWDXENARMZEGQA-UHFFFAOYSA-N 405.285 4.451 0 1 HIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(I)c3[nH]2)cc1 587934082 AXERQIVCLGINNI-HWPZZCPQSA-N 408.239 4.013 0 1 HIAF Fc1ccc([C@H](F)C2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1 653668785 VUOHSAKTHSIXQA-LJQANCHMSA-N 414.435 4.200 0 1 HIAF COCCc1nc(C)c([C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)s1 961618322 ZTLSRNPKEPMAHJ-GOSISDBHSA-N 407.377 4.345 0 1 HIAF COc1ccc(O)cc1[C@@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962628176 ACZRIOFIBNLHIX-QFQXNSOFSA-N 400.522 4.411 0 1 HIAF Nc1c(C(=O)O)cnn1-c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1 1772572999 ANPDIOLJKLBSOP-UHFFFAOYSA-N 412.493 4.355 0 1 HIAF O=C(O)c1cc(NC(=O)c2cccnc2)cc(-c2ccc(C3CCNCC3)cc2)c1 1857550840 ORZUNQGLLBDCQM-UHFFFAOYSA-N 401.466 4.166 0 1 HIAF COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CCCC[C@@H]1O 773446 ZDLZASGTMPIJJF-ROUUACIJSA-N 410.445 4.190 0 1 HIAF CC(=O)Nc1ccc(SC[C@@H](CC(C)C)N2CCN(CC(C)C)CCC2=O)cc1 13830384 PFYVDUSNYMLOLS-OAQYLSRUSA-N 419.635 4.342 0 1 HIAF COc1ccc2c(C(=O)c3cn(CCN4CCOCC4)c4ccccc34)cccc2c1 31905345 KNKHSPBINPDPHI-UHFFFAOYSA-N 414.505 4.366 0 1 HIAF O=C([C@@H]1CCc2c(Cl)cc(OCc3ccc4ccccc4c3)c(=O)n21)N1CCCC1 40918879 VVVJMWJHEMVPDE-NRFANRHFSA-N 422.912 4.344 0 1 HIAF Cc1ccc2[nH]c(-c3cc(-c4cccc(CCN5CCOCC5)c4)cnc3N)nc2c1 45226493 VKBFXLKDZLVIIO-UHFFFAOYSA-N 413.525 4.057 0 1 HIAF COc1c(OCCCN2CCCCC2)cc2oc(-c3ccccc3)cc(=O)c2c1O 73196447 XBYIYNZQBKHIDP-UHFFFAOYSA-N 409.482 4.429 0 1 HIAF CC(C)[C@H](CO)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82070051 YBUQYZDELAWWNT-LBPRGKRZSA-N 410.314 4.126 0 1 HIAF CCCCN(c1nnc(-c2cccnc2)s1)S(=O)(=O)c1ccc(Cl)cc1 84597143 YFLPLLMNMHKTKG-UHFFFAOYSA-N 408.936 4.249 0 1 HIAF Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)c1 95875568 AJFGPRMGCHYGQR-ISJGIBHGSA-N 421.585 4.005 0 1 HIAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](CC(=O)O)(C3)C2 101095969 RKNILYVZCIUTKZ-OEXQJKPLSA-N 405.922 4.283 0 1 HIAF O=C(Nc1cc2cccnc2cc1O[C@H]1CC[C@@H](O)CC1)c1csc2cncnc12 113653112 MURKOANUFGPGGP-SHTZXODSSA-N 420.494 4.174 0 1 HIAF Cc1cc(F)cnc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1 113977721 JYAHENFLGWPGJD-UHFFFAOYSA-N 407.401 4.485 0 1 HIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CCOc4cc(C(F)(F)F)ccc43)cccc21 143499017 AMGBUJINIRLHKY-MRXNPFEDSA-N 417.387 4.203 0 1 HIAF NC(=O)c1ccc(Oc2ccc(CNCc3cccc(C(F)(F)F)c3)cc2)nc1 165270693 IPTYZGXEWOAXME-UHFFFAOYSA-N 401.388 4.281 0 1 HIAF CCC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169706994 YNEXOZANCDBXOF-GOSISDBHSA-N 416.525 4.302 0 1 HIAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 586914409 VWTAXWGUWWMLAF-KXBFYZLASA-N 415.515 4.045 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C[S@@](=O)CC3CC3)[nH]c12 586960645 XGBICXWFSDFJKS-LJAQVGFWSA-N 421.444 4.493 0 1 HIAF CCc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1Br 586976466 FJRPURKXDXSREE-UHFFFAOYSA-N 411.303 4.310 0 1 HIAF CC1=C(c2ccc3[nH]c(-c4cc(-c5cccc(Cl)c5)[nH]n4)nc3c2)NNC(=O)C1 587068601 VVEAQUKFMQSKHM-UHFFFAOYSA-N 404.861 4.029 0 1 HIAF CC1=C(c2ccc3nc(-c4cn(-c5ccc(Cl)cc5)nc4C)[nH]c3c2)NNC(=O)C1 587076267 TYXZIFLSFWJVHP-UHFFFAOYSA-N 418.888 4.133 0 1 HIAF CC[C@@H](c1nc2cc(Cl)cc(F)c2[nH]1)n1cc(I)c(C)n1 587186419 WACHTYMJAJPCMU-LBPRGKRZSA-N 418.641 4.464 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(C(=O)O)c(F)cc4[nH]3)c2)c1 587232668 YQKDQRHRIRUUDE-UHFFFAOYSA-N 403.413 4.018 0 1 HIAF COC(=O)C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339562 YYIBBSHQVUTARX-ISKFKSNPSA-N 424.399 4.488 0 1 HIAF Cc1ccc2c(c1)[C@@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355420 DERSNTDEPKFTLK-ISKFKSNPSA-N 404.393 4.403 0 1 HIAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2ncnc(Cl)c21 587551918 LDJYWCDWRDCYKU-UZLBHIALSA-N 407.813 4.030 0 1 HIAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1ccccc1 587580382 HTWMRDQKJMVVND-YKSBVNFPSA-N 413.433 4.158 0 1 HIAF Cn1ccnc1C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580472 YCENCGFRHIASOA-WIOPSUGQSA-N 412.445 4.226 0 1 HIAF Cc1nn(-c2ccccc2)c(N)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584039 YPYPQKOCJDTJPO-NZQKXSOJSA-N 413.433 4.171 0 1 HIAF COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593030 ZYZCAZORPFBGQR-AUSIDOKSSA-N 402.406 4.427 0 1 HIAF C[C@@]1(c2cc(N3CCCC3)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594646 NGXXHHWVYIKVEF-RDGATRHJSA-N 416.477 4.452 0 1 HIAF CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596064 NEIWXDUMSWPEKC-STWLZBDKSA-N 418.445 4.459 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587697267 NGOSOLMOTMJVRS-CVJBHZAOSA-N 409.686 4.280 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Cl)ccc(F)c12 587734883 SFJMLHIGYYFIDW-IWEMQMMOSA-N 413.649 4.111 0 1 HIAF COc1ccc([C@](C)(O)C[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587810535 SUPQANZGLLRUAU-LCIZUOBNSA-N 408.311 4.470 0 1 HIAF COc1ccc(OC)c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 587861789 COORTYNRJZJMQM-UHFFFAOYSA-N 406.360 4.283 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccccc2OC)[nH]n1 587873459 ZUHGHLIMGFCUGG-UHFFFAOYSA-N 406.417 4.175 0 1 HIAF O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 653895454 SPFIFEAIAHNPKY-UHFFFAOYSA-N 417.874 4.040 0 1 HIAF COc1ccc2c(c1)[C@]1(CCCC[C@@H]1[C@]1(O)C(=O)Nc3ccccc31)N(C(C)C)CC2 962090580 LSSGDDPUDVKBNR-RNXOBYDBSA-N 420.553 4.187 0 1 HIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](COC=C(F)F)(c3ccccc3)N12 962674200 VUEYDPSCAXKZCJ-DNQXCXABSA-N 424.447 4.332 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@H](c2cc(F)c(Br)cc2F)N1)C(F)(F)F 962729215 HCPLMXBBDYZOQW-LSDHHAIUSA-N 420.175 4.462 0 1 HIAF CCN(CC)c1cc(Br)ccc1[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962896116 JZHSCOJCWOTLIF-QFBILLFUSA-N 421.310 4.123 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC(C)(C)O2)NCCc2cc3cccc(OC)c3nc21 963049223 VYJOPANYMZZWSR-VWLOTQADSA-N 420.509 4.211 0 1 HIAF COc1c(Br)ccc([C@H]2NCCc3cc4cccc(OC)c4nc32)c1F 963066977 MHDKETKOZITAAG-LJQANCHMSA-N 417.278 4.389 0 1 HIAF COc1ccc(CCCOC(=O)N(c2ccccc2)[C@@H]2CN3CCC2CC3)cc1OC 1857552006 MMSLNHRRTRWHIB-JOCHJYFZSA-N 424.541 4.374 0 1 HIAF Cn1c2cc(Br)sc2c2cnn(Cc3ccc(F)cc3F)c(=O)c21 36380685 VIEXGJORTCLTSL-UHFFFAOYSA-N 410.243 4.039 0 3 HIAF CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1C)S2 95552622 FQKAVFJMJRUZJG-MAGMUUGSSA-N 421.566 4.294 0 3 HIAF COC(=O)CCCC[C@@H]1O[C@H](CCc2ccccc2)CC2=C1C(=O)OC(C)(C)O2 95571114 RWCGELJAERUZAP-MSOLQXFVSA-N 402.487 4.074 0 3 HIAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 4054637 OGDOVIGXOQRDQR-ONTIZHBOSA-N 414.933 4.442 0 1 HIAF C=CCNc1nnc(SCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)s1 7096616 WSPSTUKNXDPKRW-UHFFFAOYSA-N 403.577 4.103 0 1 HIAF biogenic O=S(=O)(c1ccccc1)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 13675698 CFDCTBOVDXIEET-DPLHUUCSSA-N 420.486 4.022 0 1 HIAF O=C(c1ccccc1)c1ccc2ccn(C(=O)[C@@H]3CS[C@@H](c4cccnc4)N3)c2c1 13737435 QKVJFJDLRXKYTN-REWPJTCUSA-N 413.502 4.311 0 1 HIAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1-c1cc(=O)c(OC)c(C)o1 14618437 GVWXIXXSXKCKKX-UHFFFAOYSA-N 420.417 4.414 0 1 HIAF biogenic,in-vitro CC(C)=CCc1ccc(O)c(C=O)c1C(=O)c1cc(C)cc2c1O[C@H](C(C)(C)O)CO2 14721445 DYNXQZCWMXLZCW-NRFANRHFSA-N 424.493 4.164 0 1 HIAF biogenic,in-vivo COc1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25412918 IAUSOWDNWPPVAN-CVEARBPZSA-N 421.522 4.237 0 1 HIAF biogenic CCCC[C@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccccc1Cl 26009248 GQUWFRJNNINRQS-SFTDATJTSA-N 403.885 4.036 0 1 HIAF CCOC(=O)CN(O)C(=O)NCc1cccc(OC/C=C(\C)CCC=C(C)C)c1 26825871 QJHNVTSKEGJEPX-LDADJPATSA-N 404.507 4.222 0 1 HIAF in-vivo Nc1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)cnc2c(Br)cnn12 40894942 LQZXCAZTUQNXCV-UHFFFAOYSA-N 423.274 4.385 0 1 HIAF CC(C)(C)OC(=O)NCCCCCCNC1CCN(CCc2ccccc2)CC1 66103593 DCZSBVNQJXPVOK-UHFFFAOYSA-N 403.611 4.368 0 1 HIAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCc1cccc(C(F)(F)F)c1 82204365 RVFQLUHITBCEGR-UHFFFAOYSA-N 419.495 4.481 0 1 HIAF c1cc(OCC2(CC3CC3)CCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1 117657003 QJCCGCRBXGFEOI-UHFFFAOYSA-N 413.525 4.493 0 1 HIAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2cccc(C=O)c2)c1 146207571 UDSLEOKWMDWMEP-UHFFFAOYSA-N 416.549 4.066 0 1 HIAF COc1ccc(-c2ccc3cc(C(=O)N4CCC[C@@H](CO)C4)ccc3c2)cc1OC 169339978 QFOLWXLXCQGPGC-QGZVFWFLSA-N 405.494 4.369 0 1 HIAF COc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@@H]32)ccc1O 169690497 DOHAFUYYATUHNR-DHIUTWEWSA-N 424.541 4.231 0 1 HIAF CCc1[nH]c(=O)c(Cc2cnc3ccc(OC)cc3c2)c2cc(OC)c(OC)cc12 169703386 XDHNENJCFGTPQR-UHFFFAOYSA-N 404.466 4.255 0 1 HIAF O=C(Nc1ccc(Cl)cc1)N1CCC[C@@](CCC2NN=NN2)(c2ccccc2)C1 169723114 JLXGARLQMCTBTK-NRFANRHFSA-N 412.925 4.487 0 1 HIAF COc1cc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc(OC)c1O 238757831 JRKSCKPVDJGMNY-LPCJDBFKSA-N 402.443 4.232 0 1 HIAF COc1cc(OC)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 587002250 VONBJCALFYKHER-ARJAWSKDSA-N 417.259 4.284 0 1 HIAF Cc1cnc(Cl)c2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc12 587002398 DXOYFWOPUFJWEY-VIFPVBQESA-N 406.667 4.318 0 1 HIAF Fc1cc2[nH]c(-c3nc(Cl)cnc3Br)nc2cc1Br 587005723 PFAKNEBPFIGJJP-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc4cn[nH]c4cc3[nH]2)c1 587047886 BRKBGPLROOAKLL-UHFFFAOYSA-N 424.892 4.403 0 1 HIAF COc1nccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587071787 QEMULCHALIXPCQ-HNNXBMFYSA-N 402.882 4.428 0 1 HIAF FC(F)(F)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)c(I)c1 587179038 POUTVXSGUFOPED-UHFFFAOYSA-N 424.551 4.248 0 1 HIAF O=C(c1cccc(OC(F)(F)F)c1)c1c(CO)oc2cc(Br)cnc12 587276609 OUERVQHVPLBRTJ-UHFFFAOYSA-N 416.149 4.212 0 1 HIAF CCc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351329 UFMWNDJFJFUJKK-ZJSXRUAMSA-N 403.409 4.300 0 1 HIAF CCO[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C12CCOCC2 587356076 HXEFEZTUIMCFCT-DPLHUUCSSA-N 412.457 4.235 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c3c(c1)OCCCO3)O2 587370527 FSAFXGGVRMRSJT-MRXNPFEDSA-N 404.260 4.208 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)O2 587392772 DBFKEIJPAQKDHO-FPOVZHCZSA-N 408.498 4.273 0 1 HIAF CCOC(=O)CCc1c(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccn12 587393519 IKLFHTHBHPPILH-NRFANRHFSA-N 406.482 4.341 0 1 HIAF C[C@]1(CC(=O)Nc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573688 WRYURUFRZSKYGW-NZQKXSOJSA-N 407.397 4.280 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(C(N)=O)CC[C@@]2(C)C3(C)C)N1 587747283 LLEZDJSDKVORTB-SGMNNIIASA-N 409.343 4.019 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(C2CC2)N1 587759038 ZYIFXRQBZZFWAV-JEOXALJRSA-N 413.331 4.252 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(Cc3ccccc3)n2)N1 587763582 KGTKOHOUGHNHPK-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF CCC[C@H](CC1(c2nc3c[nH]c(=N)[nH]c-3n2)CCCC1)C(=O)OCc1ccccc1 587781220 FTCQYQDVTKGIEP-QGZVFWFLSA-N 407.518 4.079 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccccc3oc2=O)N1 587839783 GSGNOMZBFIRWCG-YBTHPKLGSA-N 402.263 4.492 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Cn1cc(Br)cn1 587869919 UPRMNFNADSSCEW-GFCCVEGCSA-N 421.270 4.023 0 1 HIAF CC(C)(C)[C@]1(Cc2ccccn2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642718 QZQHASPUOSQSEM-FXAWDEMLSA-N 408.420 4.063 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccnc2S(=O)(=O)c2ccccc2)N1 962958007 ZTTDTARVLLRMIV-AOMKIAJQSA-N 417.534 4.409 0 1 HIAF COc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)C[C@H](C(C)(C)C)CC4)cc1 1772581002 ALNNGGKMLANTKH-CYBMUJFWSA-N 408.527 4.255 0 1 HIAF CCCN(CCCCOc1ccn2ncc(C=O)c2c1)[C@H]1CCc2c(O)cccc2C1 1772597403 IYWXUSILGIBAQW-NRFANRHFSA-N 421.541 4.281 0 1 HIAF CCn1c([C@](O)(c2ccc(C)cc2)c2ncccc2F)nc2ccc(CCCO)cc21 1857612806 QKJAPKXKEHUBFZ-VWLOTQADSA-N 419.500 4.108 0 1 HIAF Clc1cccc(Cn2c(-c3cccs3)nc3c(N4CCNCC4)ccnc32)c1 1857645464 YHMKJORXLRLPKK-UHFFFAOYSA-N 409.946 4.271 0 1 HIAF CCCCOC(=O)[C@@H]1C[C@](C)(O)C[C@@H]2[C@@H]1CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]12C 2356610460 LNFYPZFRGUFQCL-GRZAQXMDSA-N 418.530 4.421 0 1 HIAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCOC 4152886 BCOVRVQHRCMLER-ISKFKSNPSA-N 424.541 4.453 0 1 HIAF c1ccc(COC[C@@H]2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)C2)cc1 13794038 RPIIZOHGKJVOJT-OAQYLSRUSA-N 415.541 4.220 0 1 HIAF CC[C@]1(CCCCN2CCN(c3cccc(OC)c3)CC2)C(=O)Nc2ccccc21 29055359 ZBHUAHSLHYQJKX-RUZDIDTESA-N 407.558 4.288 0 1 HIAF CCOP(=O)(CCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2)OCC 40379557 MCOWXXOMLZPMSS-HNNXBMFYSA-N 424.434 4.051 0 1 HIAF CN(C)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2ccccn2)cc1 68247403 ARTNWBGMVYZVIZ-UHFFFAOYSA-N 418.566 4.338 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccc3c(=O)n(-c4ccccc4C)c(C)nc3c2)cc1 73310808 HRPAXBGBCSJADA-UHFFFAOYSA-N 419.506 4.112 0 1 HIAF CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)OC(C)(C)C 150198935 DYTGTMLKFUHAKF-IBGZPJMESA-N 402.535 4.234 0 1 HIAF C[C@H](Oc1cncc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1)C(F)(F)F 204779689 DGBIUYHHQKNLEE-QMMMGPOBSA-N 406.393 4.055 0 1 HIAF O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1cccc(Cl)c1 205739619 VXPGKMTWGKODIB-UHFFFAOYSA-N 407.904 4.128 0 1 HIAF CCc1c2c(nn1C1CC1)C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 220202242 WYUJMOVTXOPUEX-OAQYLSRUSA-N 422.916 4.191 0 1 HIAF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccccc2Cl)NC(=S)N1 299863713 PQFYVJBIRPHJMM-MRXNPFEDSA-N 414.943 4.381 0 1 HIAF COc1ccc2c(C)c(CCc3nc4cc(C(F)(F)F)ncc4[nH]3)c(=O)oc2c1C 586918024 HCYBKDGJESHDET-UHFFFAOYSA-N 417.387 4.494 0 1 HIAF CCOC(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586997130 AWSLUHLGUUKKSS-XQRVVYSFSA-N 415.243 4.401 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc4ncccc4c3[nH]2)cc1 587038732 BKFJWMTVBGWVBR-LJQANCHMSA-N 404.495 4.398 0 1 HIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c(O)c4[nH]3)cc2N1 587125253 DBZITVULHLJSJA-WKEGUHRASA-N 416.201 4.202 0 1 HIAF COC(=O)c1ccnc2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc12 587127860 AYFDTYGVDRSXCY-YFKPBYRVSA-N 405.739 4.079 0 1 HIAF CCCc1nc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)nn1-c1ccccc1F 587157202 XWYCFYWTOPHNBB-UHFFFAOYSA-N 401.348 4.224 0 1 HIAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3nc(Cl)c[nH]c-3n2)cc1 587164814 BRUAWANASWEZOP-UHFFFAOYSA-N 419.851 4.434 0 1 HIAF COC(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587185193 ZBYIXJHHXGRKLM-YVMONPNESA-N 404.207 4.125 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)cnc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587240298 SDUYUKBJTFQPOB-SAUNLDPVSA-N 424.904 4.305 0 1 HIAF Nc1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1C(=O)O 587248373 OHXULNANBMVLBB-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](NC(=O)C(F)(F)F)c2ccccc21 587462437 QFOFSRFWHYDSFA-KKSFZXQISA-N 419.399 4.329 0 1 HIAF CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2c(Br)cccc21 587499791 VGOHYTIFEREUDJ-NRFANRHFSA-N 412.283 4.165 0 1 HIAF CCOC(=O)C[C@]1(c2cc(OC)cc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587527229 VSXWWLMVJFBKBL-VWLOTQADSA-N 424.493 4.397 0 1 HIAF CCCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587596297 QQNQXJBGGXRTKG-RDPSFJRHSA-N 401.418 4.154 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(F)c(Cl)cc12 587737488 ZZZILEAOCPXHLF-BWKAKNAASA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccn2Cc2ccccc2)N1 587759158 ZFMSWMRNNKAYSN-BFUOFWGJSA-N 400.295 4.457 0 1 HIAF COC(=O)c1cccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587800126 AFJMDINFUSISSL-APBUJDDRSA-N 417.278 4.480 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 587871590 AAJUWXHJPXWERB-INIZCTEOSA-N 417.481 4.375 0 1 HIAF COc1cc2c(cc1OC)[C@@H](c1ccc(-n3cnc(C)c3)c(OC)c1)N(C)[C@H](C)C2 962629851 QENPYTAYPDGSLE-VOIUYBSRSA-N 407.514 4.172 0 1 HIAF CCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(OCC)c1 962983673 ZBACSTQWTDVXDZ-KXBFYZLASA-N 411.832 4.104 0 1 HIAF Cc1cn(CCC(=O)O)c(C)c1[C@@]1(C)c2ccsc2CCN1Cc1cccnc1 963019871 ZAUUFYDFIMUOBX-HSZRJFAPSA-N 409.555 4.358 0 1 HIAF CCOC(=O)c1ccccc1[C@]1(C(=O)OCC)NCCc2c(Cl)cc(Cl)cc21 963115143 ZNHADCUQZKIBNC-NRFANRHFSA-N 422.308 4.123 0 1 HIAF CC[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963610398 OZXVPXZVULQKKH-ZOUOIUENSA-N 404.551 4.243 0 1 HIAF COc1ccccc1OCCNCC[C@H]1COC(c2ccccc2)(c2ccccc2)O1 1857558621 OWOQRXHVMOMTJK-QHCPKHFHSA-N 419.521 4.370 0 1 HIAF NCC1=C(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CCCC1 1857747501 HCZHUJUTBCLSTK-FTJBHMTQSA-N 416.613 4.305 0 1 HIAF O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NCc1ccco1 890801 CRACRKHCZRZXBF-UHFFFAOYSA-N 411.380 4.303 0 3 HIAF aggregator O=C(N[C@@H]1CCCCN(Cc2ccc(OC(F)(F)F)cc2)C1=O)c1cccc(F)c1 199410418 TZRFUIXFPNUMFR-GOSISDBHSA-N 424.394 4.035 0 3 HIAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC(C)(C)CO)cc1 773654 WXJVMTDUCMKWBE-UHFFFAOYSA-N 412.461 4.295 0 1 HIAF C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 2004966 HAFQUPCULBPLGU-WWXVUJGGSA-N 422.544 4.337 0 1 HIAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCC(C)(C)CO 4216586 AQOPPAKGGUJWQL-NHCUHLMSSA-N 404.551 4.234 0 1 HIAF Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n(CCCN(C)C)c2n1 7991798 WGLBIUCSRUECSH-UHFFFAOYSA-N 400.530 4.366 0 1 HIAF COc1cc(C(C)=O)ccc1OCCN1CCC(c2noc3cc(F)ccc23)CC1 13740846 GUFAQOUWNNKLJJ-UHFFFAOYSA-N 412.461 4.437 0 1 HIAF CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@@H](O)C(C)(C)O2 14585968 ULCACFIDJDAIOB-SUMWQHHRSA-N 422.477 4.469 0 1 HIAF biogenic CC1(Sc2nc3cc(Cl)c(N4CCN(CCO)CC4)cc3[nH]2)CCCCC1 29049874 HQLKBNKGADRQPJ-UHFFFAOYSA-N 408.999 4.146 0 1 HIAF CC1(C)SC[C@@H](CCCCC(=O)Nc2ccc3c(c2)C[C@@H](C(=O)O)OC3)S1 43120840 CWVUHYDATSNIPG-SJORKVTESA-N 409.573 4.296 0 1 HIAF CCCN(CC1CC1)C(=O)c1c(C)nc2n1CCC(=O)N2c1c(C)cc(C)cc1C 49054726 PANXTEBGHHQBFE-UHFFFAOYSA-N 408.546 4.447 0 1 HIAF CC(C)Cc1ccc(C2=NN(c3nnc(S)n3-c3ccccc3)C(=O)CC2)cc1 66074789 WOIVTUDHTNJCAC-UHFFFAOYSA-N 405.527 4.286 0 1 HIAF CC(C)(C)OC(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72100975 VYXILGOKQQQIFU-IBGZPJMESA-N 402.926 4.209 0 1 HIAF CCC(CC)C(=O)Nc1ccc(N2CCN([C@@H](C(=O)OC)c3ccccc3)CC2)cc1 72177451 JKPNOVMLADTDJL-HSZRJFAPSA-N 423.557 4.098 0 1 HIAF CCN(CC)C(=O)CN1CCC[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1 73222340 WVNZODFRLMLDAL-FQEVSTJZSA-N 422.548 4.272 0 1 HIAF O=C(NCCOc1ccccc1)[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82195696 YMLMIRQXWPIJDE-HXUWFJFHSA-N 411.502 4.113 0 1 HIAF C[C@H](NC(=O)c1cc(-c2cnn(C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 84904196 SJNLAUPYSAFIFO-VIFPVBQESA-N 408.264 4.001 0 1 HIAF OC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 95873233 IBZUTKZKACVZJU-YPAWHYETSA-N 408.508 4.431 0 1 HIAF F[C@H]1CCNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12 96175080 ABZNMUCRZXRUAU-ICSRJNTNSA-N 417.488 4.291 0 1 HIAF COc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Nc5cccc(F)c5)C[C@@H]3N4)cc2)cc1 100101845 MLSDHESDAOVLFZ-BKFWDETESA-N 417.484 4.473 0 1 HIAF Cc1nccn1-c1ccc(Sc2cccc([C@]3(C(N)=O)C[C@@H]4CC[C@H](C3)O4)c2)cc1 101024353 NJAUDUPYDIZYIU-IRJINJETSA-N 419.550 4.396 0 1 HIAF CC[C@@H](C)C(=O)O[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 104892969 PCZOHLXUXFIOCF-ZXQKCIJTSA-N 404.547 4.196 0 1 HIAF CC(C)(C)NCc1cc2cc(NC(=O)c3ccccc3Br)cnc2[nH]1 148960592 DKOWWMJCQMXPGQ-UHFFFAOYSA-N 401.308 4.466 0 1 HIAF CC(=O)Nc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 167712428 WJQZUTLNXIINTB-UHFFFAOYSA-N 401.455 4.332 0 1 HIAF COc1ccccc1[C@@H]1c2c(CO)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 169696916 WMZYLHLHTSBKPW-JOCHJYFZSA-N 417.490 4.389 0 1 HIAF Cc1nc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2cc1Br 586983885 KWMPSEXJGXXZID-GFCCVEGCSA-N 410.113 4.034 0 1 HIAF Cc1nc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1Br 587008509 XMCFSZGHCWNXNR-UHFFFAOYSA-N 407.069 4.106 0 1 HIAF COc1cc(-c2nc3cccc(I)c3[nH]2)cc(Cl)c1O 587046155 LIWMLLGQNZRCDM-UHFFFAOYSA-N 400.603 4.202 0 1 HIAF COc1cccc(-c2ccc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c(Cl)c2)c1 587051823 FLTWQSAMQDOVTM-UHFFFAOYSA-N 413.886 4.206 0 1 HIAF Cc1ccc2c3c(cc(Cn4c(=O)oc(=O)c5ccccc54)nc13)-c1ccccc1C2=O 587098945 XFTKARJJDQFZBF-UHFFFAOYSA-N 420.424 4.071 0 1 HIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587259078 GVOYSYRHZCPTLA-HNNXBMFYSA-N 406.408 4.288 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(CSC3=NCCS3)c1)O2 587412842 CUVOBSJZVMJOOK-OAQYLSRUSA-N 414.552 4.499 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC(=O)c3cnn(C)c3)cc1)CC2=O 587474136 BUWLEBBIJLQSON-DEOSSOPVSA-N 420.465 4.178 0 1 HIAF CN(C)CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587568668 CQTUTTFCSZVILB-DHLKQENFSA-N 419.477 4.426 0 1 HIAF C[C@H](C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O 587601981 GNCLJDLSWYXQOT-VEQVNTQVSA-N 404.418 4.360 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2cnn(C)c2)N1 587733632 RKAOETYMERITOE-YUNKPMOVSA-N 418.285 4.287 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(F)c(Cl)cc12 587737491 ZZZILEAOCPXHLF-GJEGPGMTSA-N 413.649 4.111 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c2ccc(Cl)c1F 587739656 VJITWJKKODGYSG-BWKAKNAASA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC(=O)N(C)C)N1 587743376 WMUNBOMPVGWVMS-ADLMAVQZSA-N 407.283 4.272 0 1 HIAF COc1cccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587744030 YPOFGQAQGONTDD-ZEZYTJFYSA-N 419.338 4.450 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2cccc(N)c2)N1 587748845 YXZZAQSDJKMIPX-ASSNKEHSSA-N 412.306 4.392 0 1 HIAF COc1ccc2occ([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587836983 CRJGGAAWKRXKHS-GIGQVBGESA-N 418.262 4.327 0 1 HIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587932179 VHAVTHNDTIEOLY-SCLBCKFNSA-N 410.417 4.310 0 1 HIAF CCOc1ccc(NC2=C(Cl)[C@]3(C[C@H](C)C2)c2c(cnn2C)CCN3C)cc1 963956849 ZYCKMFHUBJWPSV-IVZQSRNASA-N 400.954 4.494 0 1 HIAF CCCC1([C@@H](O)C/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2CCc2ccc(C(=O)O)cc2)CCC1 26168468 UKQBTMIUJAZTON-YOVQNMLASA-N 414.542 4.161 0 1 HIAF COc1ccccc1N(C(=O)[C@@H](C)OC)[C@H]1CCN(CCc2cccs2)C[C@@H]1C 26728325 MMLFNTYVDTXUQB-NSHGMRRFSA-N 416.587 4.078 0 1 HIAF COc1ccc(-c2cnc(N3C[C@@H](N)[C@H](c4ccc(Cl)cc4Cl)C3)nc2)cc1 36310952 MGPCIBLVBGADEC-AZUAARDMSA-N 415.324 4.390 0 1 HIAF Clc1ccccc1-c1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)co1 64399365 MBNMOHOGNZWJGK-UHFFFAOYSA-N 411.889 4.042 0 1 HIAF Cc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175303 MBLXBNBLRGWUNA-HNAYVOBHSA-N 419.550 4.160 0 1 HIAF Cc1cc(=O)oc2cc(OCC(=O)NCCCCCCCCCCCCN)ccc12 103291145 QRALSGYJOBEZSK-UHFFFAOYSA-N 416.562 4.456 0 1 HIAF CCOc1ccccc1NC(=O)CSc1n[nH]c2c3cc(Cl)ccc3nc-2n1 104996340 AEYKTKNEPIUPMT-UHFFFAOYSA-N 413.890 4.241 0 1 HIAF CCc1c(C)sc2ncnc(N3CCC(COCC[C@@H]4CCCN4C)CC3)c12 146568172 LBDIZRVNQSNAMU-SFHVURJKSA-N 402.608 4.279 0 1 HIAF CN(c1nc2cc(F)ccc2s1)[C@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 203540751 APDRHYQYVDOJEH-AWEZNQCLSA-N 409.486 4.468 0 1 HIAF O=C(Nc1cn2nc(-c3cn(C4CC4)nc3-c3ccc(F)cc3)ccc2n1)C1CC1 220050005 BKGAFTRILGEXST-UHFFFAOYSA-N 402.433 4.082 0 1 HIAF O=C(Nc1ccc(F)cc1)c1nccnc1C(=O)Nc1ccccc1-c1cccnc1 299830329 WELHYKBYQYFIHV-UHFFFAOYSA-N 413.412 4.182 0 1 HIAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2n1)N1CCNCC1 584606111 OKFZWUFFIAFNGA-UHFFFAOYSA-N 401.388 4.091 0 1 HIAF CN(C)C(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586960357 PAQHYVGHKNLNBT-SSEXGKCCSA-N 417.534 4.303 0 1 HIAF Clc1cnc(Br)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)n1 587005460 JCSBVUCQVBVNTL-UHFFFAOYSA-N 423.883 4.247 0 1 HIAF C[C@@H](O)c1ncc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)s1 587021226 GKCWQLVSHUOKFO-RXMQYKEDSA-N 408.199 4.401 0 1 HIAF Clc1cnn2c(-c3nc4cc5c(cc4[nH]3)OCCO5)cc(-c3ccccc3)nc12 587081026 JWEUOTSIQLUJGS-UHFFFAOYSA-N 403.829 4.364 0 1 HIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(Br)c3[nH]2)C(F)(F)C1 587132252 OIPFJQJUFHWGCR-VIFPVBQESA-N 402.239 4.295 0 1 HIAF CC1=C(c2ccc3nc(-c4cc(F)c(C)cc4Br)[nH]c3c2)NNC(=O)C1 587138184 ZJBRBKWYOXNPJK-UHFFFAOYSA-N 415.266 4.195 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(CCO)cc4[nH]3)cc2)cc1F 587147061 DGRLOQAFUPTFPZ-UHFFFAOYSA-N 417.484 4.244 0 1 HIAF Cc1c(Br)ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587163220 IYILDCZAWOPNGU-UHFFFAOYSA-N 415.266 4.051 0 1 HIAF COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1-c1ccccc1Cl 587419803 LYAHRPAYIFMUMH-QRQCRPRQSA-N 423.852 4.415 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)c(C(=O)O)c1)[C@@H](C2)C3=O 587443811 PVNDRUYMWQMSGA-YADARESESA-N 416.429 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@](Cn1nc(C)cc1C)(c1cccc(N)c1)CC2=O 587477925 WBMRBOKGOMUKSV-XMMPIXPASA-N 405.498 4.301 0 1 HIAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1c[nH]c(C(=O)O)c1)CC2=O 587484326 NSTPZIDMLQKZQR-DEOSSOPVSA-N 405.450 4.474 0 1 HIAF CCOc1nc2sccn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619077 QOOUEVVMTDHSSO-DNVCBOLYSA-N 408.435 4.203 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3ccccc3)nn2)N1 587761796 WGZITXRPYXYVFF-XCLFUZPHSA-N 415.310 4.026 0 1 HIAF O=C(Cc1nc2cc(Br)c(Br)cc2[nH]1)OCc1ccccc1 587782371 TUAZTVWQBYOXFA-UHFFFAOYSA-N 424.092 4.374 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793646 RVOJFWIZWXMMLJ-UGZDLDLSSA-N 407.283 4.037 0 1 HIAF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)O 587800989 IIPHAEKPCVAFRP-MLCYQJTMSA-N 408.267 4.309 0 1 HIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587938343 VCTZARFTUCRHQG-PSLIRLAXSA-N 401.335 4.458 0 1 HIAF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2nc(N3CCCCC3)ncc2F)s1 587944115 BTWVKSBDPZYKLV-UHFFFAOYSA-N 414.506 4.451 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(C1)c1cccc(F)c1CCN2[C@H]1CCSC1 962701262 JVDZZDXQDRSYFS-VVBPWWLESA-N 406.567 4.462 0 1 HIAF COc1cccc2cc3c(nc12)[C@@](c1cccs1)(c1ccc(CCN)s1)NCC3 963052931 FLEVBTSRZYJTKB-HSZRJFAPSA-N 421.591 4.305 0 1 HIAF Cc1ccc(-n2nc(C)c3cnc(-c4ccc([C@H]5C[C@@H]5C(=O)O)cc4F)cc32)nc1 1772574964 HTAFDYZRIYQJFP-SJORKVTESA-N 402.429 4.427 0 1 HIAF CCc1nc2c(OCc3ccc(OC)cc3)cccn2c1N(C)C(=O)c1ccncc1 61904025 SEMMMFZJDFUISZ-UHFFFAOYSA-N 416.481 4.156 0 3 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCCN1CCCC1 4213019 KCRBTPANROGQTI-DHIUTWEWSA-N 415.578 4.311 0 1 HIAF CC(=O)c1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1 13443505 JSUGTZOUOKXRQN-UHFFFAOYSA-N 411.521 4.495 0 1 HIAF COC[C@H]1CCCN1NC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 13553600 VZJJQQMATBINCI-LLVKDONJSA-N 415.346 4.188 0 1 HIAF CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc3ccccc3c2)c1=O 25411590 LXWTZUPEFBEFNE-UTKZUKDTSA-N 401.510 4.206 0 1 HIAF biogenic COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCC(F)(F)C4)ccc32)cc1 28818077 PMTYUERLXGUADP-QHCPKHFHSA-N 416.512 4.382 0 1 HIAF CC1(C)SC[C@H](CCCCC(=O)Nc2ccc3c(c2)C[C@@H](C(=O)O)OC3)S1 43120838 CWVUHYDATSNIPG-IRXDYDNUSA-N 409.573 4.296 0 1 HIAF COc1ccc(CCN[C@@H](C)COc2c(C)cc(Br)cc2C)cc1O 66166925 JZFKGUCJJRMXSY-HNNXBMFYSA-N 408.336 4.380 0 1 HIAF CC(C)[C@@H](Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1 72125908 IJGITWYHJMNRMO-HXUWFJFHSA-N 402.502 4.062 0 1 HIAF O=C(c1ccccc1)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 100978670 VLPVQRIMWYCIJC-BGYRXZFFSA-N 413.429 4.181 0 1 HIAF CCOC(C)(C)[C@@H](COc1ccc2c(OC)c3ccoc3nc2c1OC)OC(C)=O 138816155 KIAYYXPXBDCEJW-QGZVFWFLSA-N 417.458 4.124 0 1 HIAF COc1cccc(N2CCC([C@H](O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 141418773 YXSZGMKEEIZJRX-MRXNPFEDSA-N 417.859 4.150 0 1 HIAF CCCS(=O)(=O)CCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](N)CC2 142115227 YDXMAGHLMCMVLM-FGZHOGPDSA-N 405.991 4.307 0 1 HIAF CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccn1 169695428 VHUQCJPWPCRVMF-VQTJNVASSA-N 404.491 4.308 0 1 HIAF CC1=NC(=O)N[C@@H](c2ccc(OCc3ccccc3)cc2)[C@H]1C(=O)OCC(F)(F)F 169729892 FMSSAOIOPAOJCC-ROUUACIJSA-N 420.387 4.213 0 1 HIAF Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1 205547759 BDVZHPWRAWNWRI-UHFFFAOYSA-N 403.413 4.336 0 1 HIAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CC[C@@H](C)C3)c2n1 207617232 CXIOQFGQPOLEPX-OAHLLOKOSA-N 415.501 4.024 0 1 HIAF CCOc1cc(/C=C\c2nc3nc(Cl)c[nH]c-3n2)cc(Br)c1OC 586978137 MFNHFMZDHNGYSE-PLNGDYQASA-N 409.671 4.298 0 1 HIAF CCOc1cc(/C=C/c2nc3cncc(OC)c3[nH]2)cc(Br)c1OC 586978656 ZYRMNIDQCPCEBI-AATRIKPKSA-N 404.264 4.307 0 1 HIAF O=C(Nc1nc(Cc2nc3ccc(Br)nc3[nH]2)cs1)c1cccs1 587018998 CUVNEPQQUIKNMB-UHFFFAOYSA-N 420.317 4.082 0 1 HIAF Cc1c(Br)cnc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c12 587023866 VUARIBKTSOYPTE-UHFFFAOYSA-N 410.297 4.499 0 1 HIAF COC(=O)c1cc(Br)c2nc(-c3nc4ccc(OC)cc4s3)[nH]c2c1 587035926 XMCYMUAUXVLLGR-UHFFFAOYSA-N 418.272 4.397 0 1 HIAF Cc1nc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2cc1Br 587127132 SANCHBYQPHDIMV-KBUNVGBDSA-N 415.217 4.200 0 1 HIAF CC(C)[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)N(C)C 587198559 KDWNNDGXUDCZAO-SFHVURJKSA-N 406.939 4.276 0 1 HIAF COc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1OCC(=O)NC(C)C 587227130 ZMWGGOKMNQFLHW-UHFFFAOYSA-N 423.391 4.041 0 1 HIAF Nc1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1C(=O)O 587248835 XMDYVBJRIWAXNH-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1nc(-c3ccc4c(c3)OCO4)no1)CC2=O 587480707 DZSFDVXMMQOBRS-QHCPKHFHSA-N 422.437 4.090 0 1 HIAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)=O 587592176 IQRWHCYVDHKUDY-ZJSXRUAMSA-N 420.417 4.203 0 1 HIAF COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2ccc(F)c(Cl)c12 587632123 PLZRIPPBGCEDHS-UHFFFAOYSA-N 411.820 4.477 0 1 HIAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN(C)C 587739381 GSUOSQCJPHEGEM-ODXCJYRJSA-N 407.327 4.282 0 1 HIAF CC(=O)C[C@@H]1C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822643 LTLHNSQVYPFRHF-CVWILIBFSA-N 410.327 4.302 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587825148 BLSBQLCMKKYNGD-HMLUWHBCSA-N 408.311 4.229 0 1 HIAF COC(=O)c1coc2c1[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587829020 PTMOWHBRVXABHU-DGIBIBHMSA-N 408.267 4.082 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(-c2ccccc2)s1 587869209 CLRAADJMSFCMSY-UHFFFAOYSA-N 403.389 4.480 0 1 HIAF CCCCc1ccc(-n2c(OC)cc(CC(=O)OC)c2OC)c(Br)c1 587936049 JTIDOZGDXVBSMJ-UHFFFAOYSA-N 410.308 4.315 0 1 HIAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@]1(CC[C@@H](C)C1)N2C(=O)OC(C)(C)C 962703338 GIVXVNBFDFOQMT-JRVVOHRXSA-N 403.494 4.492 0 1 HIAF CC(C)c1nn(C)c2c1[C@](c1ccccc1)(c1c(N)sc3c1CCSC3)NCC2 962917896 HEANVLQIVFHYFF-QHCPKHFHSA-N 424.639 4.414 0 1 HIAF COc1c2occc2c(OC)c2c(=O)c(C3=NN[C@@H](c4ccc(F)cc4)C3)c(C)oc12 1772578482 RQRHUBBBOOETLU-OAHLLOKOSA-N 422.412 4.443 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1CCC(O)(c2ccc(Cl)cc2)CC1 1772634626 MQVFMLRFITXVFG-GBXCKJPGSA-N 413.945 4.144 0 1 HIAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl)N1CCOCC1 772250 FOZLSYYYKUJSRE-PKOBYXMFSA-N 423.271 4.083 0 1 HIAF CCOC(=O)[C@](NC(=O)Nc1ccccc1)(Nc1cccc(Cl)c1)C(F)(F)F 1856245 XZMWITQCEZCTCO-QGZVFWFLSA-N 415.799 4.395 0 1 HIAF COC(=O)N[C@@H](C[C@@H](C)N1CCC(n2c(C)nnc2C(C)C)CC1)c1ccccc1 40950746 YQVJZAZAEVJHAM-UTKZUKDTSA-N 413.566 4.223 0 1 HIAF O=C(O)c1cn(Cc2ccc(-c3ccc4[nH]ccc4c3)nc2)c2c(F)cccc2c1=O 45374479 WCJNFLBSPMRCBR-UHFFFAOYSA-N 413.408 4.430 0 1 HIAF CCC(=O)Nc1cc(-c2ccc(OC)cc2OC)nc(-c2ccc(OC)cc2OC)n1 66102019 AWFKQDMLXJOWBK-UHFFFAOYSA-N 423.469 4.194 0 1 HIAF FC(F)(F)Oc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1 71333552 FIEXWRMGYIWGGL-UHFFFAOYSA-N 404.179 4.480 0 1 HIAF Cc1nc(N[C@H](C)c2cccc(-c3nn[nH]n3)c2)cc(-c2ccc3ncsc3c2)n1 142172733 WORRPWHALMPZBL-GFCCVEGCSA-N 414.498 4.415 0 1 HIAF Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OC[C@H]3CCCNC3)cc12 205260150 FCRIHMREFBZVTE-HNNXBMFYSA-N 403.461 4.204 0 1 HIAF O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1cnccn1 206206209 ICVZEUVJOGZYPR-UHFFFAOYSA-N 415.371 4.077 0 1 HIAF CC1=CC=C2/C=C/C(C)=C(/C)C[C@@H](C)C(=O)[C@H](C(=O)O)[C@@]3(C)O/C(=C/1O2)C(O)=C3O 263614620 PBKVAXUNUBEUPO-FKGDCFHMSA-N 414.454 4.377 0 1 HIAF in-vitro O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 586962416 WXYNLOYSHJAXSH-COXVUDFISA-N 416.934 4.306 0 1 HIAF Brc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2n1 587012450 JPCZWGVONYCMLX-UHFFFAOYSA-N 400.099 4.484 0 1 HIAF Fc1c(Cl)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1F 587117749 GRXKIAISWAFBGP-UHFFFAOYSA-N 403.698 4.413 0 1 HIAF COc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cn1 587120537 NNQXQRFMQCZVOH-UHFFFAOYSA-N 410.359 4.362 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)cc(F)c32)[C@H]1c1ccc(F)cc1 587329000 BQKKXSOVVBKGQJ-PGRDOPGGSA-N 411.335 4.016 0 1 HIAF COC(=O)[C@@H](C)[C@@]1(c2cccc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587377204 LPRXOFFDOJQYOD-MPBGBICISA-N 418.287 4.010 0 1 HIAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)cc1O 587410937 AIJYIZNRXAAJQC-CWTRNNRKSA-N 405.244 4.051 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1sccc1Br)O2 587411829 WLUVQROENMOGBY-QWNKOJSDSA-N 407.333 4.337 0 1 HIAF CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517766 UVOZMPVQOTUPSP-BXKMTCNYSA-N 415.530 4.315 0 1 HIAF CC(=O)Nc1sc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)O 587530049 CLHWBVXBBVFQIB-QFIPXVFZSA-N 413.495 4.473 0 1 HIAF O=C(COc1ccc(F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655394 FPWDCYHGMYROBS-UHFFFAOYSA-N 410.351 4.200 0 1 HIAF CCn1ncc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587705868 NUWMECRNBHYXNW-FVMDXXJSSA-N 420.248 4.453 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)O)c3ccccc23)N1 587754571 DYXFWENEEHJLEU-PRWKNARSSA-N 417.278 4.251 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCNCC2)N1 587795023 NFDHRYNZNZFXJX-SZNDQCEHSA-N 403.339 4.366 0 1 HIAF COC(=O)c1cccc2c1CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587807612 MDKKMNSCTSHEPT-GIPWTMENSA-N 404.279 4.099 0 1 HIAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2sc(=O)oc12 587856351 LUOAOEWUYURTSJ-ZKANADHPSA-N 424.291 4.388 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cccc(-c4cc(O)cc(OC)c4)c3)nc2cc1OC 587930498 CUTZMLOPBVCCKN-UHFFFAOYSA-N 404.422 4.406 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@@](Cc2ccccc2Cl)([C@@H]2CCOC2)N1)C(F)(F)F 962767765 QXEPMOKMQAQUPP-LKUPVBHCSA-N 423.862 4.460 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2cc(F)cc(F)c2)C(=O)OC)cc1 1772586870 AMILKMGZKOWLBW-IVZQSRNASA-N 419.468 4.353 0 1 HIAF Nc1ncnc2c1c(-c1ccc3cc(OC4CC4)ccc3c1)nn2CC1CCOCC1 1857611578 YHPDTRLYBOEIDJ-UHFFFAOYSA-N 415.497 4.197 0 1 HIAF CCCCC(=O)NC(=S)Nc1c(Br)cc(F)cc1Br 1857631481 WMNANQHIPVNXEJ-UHFFFAOYSA-N 412.122 4.354 0 1 HIAF CNC(=O)c1cc(-c2nccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)ccn1 1857766267 JPNQHVNWBFPNHI-UHFFFAOYSA-N 411.824 4.368 0 1 HIAF COC(=O)C1=CC[C@H]2[C@@](C)([C@@H](O)C[C@H]3[C@@]4(C)CCCC(C)(C)[C@H]4CC[C@]32C)[C@H]1O 2356807703 YARKFTGSBUNBRA-HLHAKZFVSA-N 404.591 4.486 0 1 HIAF Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc(C)c3)C(C(=O)O)=C[C@H]2C(C)(C)C)cc1 61947021 ZHCHVJNBXYAHPY-SFTDATJTSA-N 413.539 4.475 0 3 HIAF O=[S@@](Cc1cc(N2CCCCC2)nc(-c2ccccn2)n1)c1ccc(Cl)cc1 5521901 FRVGSQGVLSJOQI-MUUNZHRXSA-N 412.946 4.490 0 1 HIAF CCNc1cccnc1N1CCN(C[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 5853752 QMBXAWHEXHOOFV-RUZDIDTESA-N 424.589 4.050 0 1 HIAF COC(=O)c1nc(-c2csc([C@@H](NC(=O)CCC=C(C)C)C(C)C)n2)oc1C 28563378 BUHONUFPWUSPEC-INIZCTEOSA-N 405.520 4.453 0 1 HIAF CCOC(=O)c1cc(-c2csc(-c3ccnc(NCC(C)C)c3)n2)c(=O)[nH]c1C 36401663 DIWRYQKRDLUVMY-UHFFFAOYSA-N 412.515 4.113 0 1 HIAF Cc1cc(C)n2nc(S[C@H](C)c3nnc(SCc4ccc(F)cc4)o3)nc2n1 40403594 CUDBOPLLEFGPRK-GFCCVEGCSA-N 416.507 4.409 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@H](c3ccccc3)CC[C@@H]2C1 40656298 ILBCFHDOQNPYQO-KZNAEPCWSA-N 413.949 4.071 0 1 HIAF CCN(CC)CCN(CCNc1ccnc2cc(Cl)ccc12)CCN(CC)CC 45358787 HPBRLELNKPWQRO-UHFFFAOYSA-N 420.045 4.286 0 1 HIAF COc1cc(C(=O)c2ccccc2)c(Br)c(Br)c1OC 53313256 HDDGPHMRJYZNHW-UHFFFAOYSA-N 400.066 4.460 0 1 HIAF COc1cccc(-c2cccc(N(C)S(=O)(=O)c3ccc(F)c(OC)c3)c2)c1 96935499 JVUPCKXHEAMLIZ-UHFFFAOYSA-N 401.459 4.335 0 1 HIAF COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cccc3C(C)C)n(C)c(=O)n1CC2 100788837 HNFAGOMKGINFJE-WNAAXNPUSA-N 419.525 4.091 0 1 HIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1Cl)c1ccccc1O 103220844 DBNWTHKMWOXMEB-KRWDZBQOSA-N 418.741 4.291 0 1 HIAF CCOP(=O)(CCCn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1)OCC 103281627 KHAKYXHWZGZUAZ-UHFFFAOYSA-N 418.434 4.140 0 1 HIAF O=C(NC1CC1)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 139823217 FQCPEWMWFGEGIE-UHFFFAOYSA-N 421.504 4.188 0 1 HIAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 142191427 XIDCLTZHWYNLFZ-FPYGCLRLSA-N 416.861 4.359 0 1 HIAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5ncc(-c6ccccc6)o5)c4[nH]3)ccc21 143349525 CCCHODQQLJBPLZ-UHFFFAOYSA-N 422.448 4.381 0 1 HIAF C[C@@H]1C(=O)[C@H](C)[C@H](c2cccc(F)c2)N(C(=O)Cn2ccnc2)[C@H]1c1cccc(F)c1 195399304 RPBVLVICPNKVAG-QKCPIRFBSA-N 423.463 4.327 0 1 HIAF CCc1cccnc1-n1nnc2c1CCN(C(=O)c1cccc(C(F)(F)F)c1)[C@H]2C 225975881 OCPWYQMYUFUHMS-ZDUSSCGKSA-N 415.419 4.003 0 1 HIAF COc1ccc(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)nc1 473179096 OTHUDHNKWWSIOS-UHFFFAOYSA-N 405.433 4.212 0 1 HIAF COC(=O)c1cc2nc(CSC(C)(C)C(=O)O)[nH]c2c(F)c1Nc1ccccc1 586959636 OOOXIVHYNSLLIR-UHFFFAOYSA-N 417.462 4.329 0 1 HIAF c1ccc(Cn2c(SCc3nc4cc5c(cc4[nH]3)OCO5)nnc2C2CC2)cc1 586967166 YLQKGZSRPXQMMP-UHFFFAOYSA-N 405.483 4.101 0 1 HIAF COc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cn1 587030971 KJAKCGLPPLZDOP-JLATVTFTSA-N 401.517 4.093 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc4ncccc4c3[nH]2)cc1 587038730 BKFJWMTVBGWVBR-IBGZPJMESA-N 404.495 4.398 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587043775 UZXXYJICMGQRSM-QGZVFWFLSA-N 413.865 4.197 0 1 HIAF CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1OC(F)F 587131380 ZIVYBPAXCREGRJ-GQCTYLIASA-N 401.369 4.064 0 1 HIAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587209651 ROUDYKHXXZSKGL-UPCLLVRISA-N 419.502 4.489 0 1 HIAF CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442588 QZZOIHHCUGHVOD-LZISPXOZSA-N 406.478 4.328 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4C4=C1CCC(C)(C)O4)[C@@H](C2)C3=O 587455533 ODTAGTQJCWYRTM-BVZFJXPGSA-N 402.446 4.378 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c(O)nc1-c1ccccc1 587591556 VYERRTMIHGIYAN-VGOFRKELSA-N 400.390 4.191 0 1 HIAF Cc1cc(=O)oc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)ccc12 587605619 AGHUIBARHRDQPH-YKSBVNFPSA-N 416.385 4.216 0 1 HIAF Cc1nn(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Br 587681227 RFBHYXMRZQYPBH-WJWGPLDTSA-N 417.120 4.016 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2nccn2C)N1 587731936 MBSBNKZYFFYKJC-ODXCJYRJSA-N 418.285 4.287 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(O)ccc32)N1 587777403 HJUNAMGILNNNNP-BIBXISHDSA-N 405.311 4.439 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(C(=O)O)ccc23)N1 587803981 QJVWPXOLVQWUDI-LZVRBXCZSA-N 403.251 4.391 0 1 HIAF COc1ccc2c(c1OC)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587810605 TWFWPHOPIHTTRG-GIPWTMENSA-N 406.295 4.329 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](CC(=O)O)c3ccccc32)N1 587827654 LPEKRZPKEAVLKG-POEZALAKSA-N 404.279 4.328 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2ccc3cc[nH]c3c2)N1 962925167 JENPBZMLRRROBP-XZOQPEGZSA-N 400.434 4.354 0 1 HIAF FC(F)(F)c1cccc2c1[C@@H](c1nc3cnccc3s1)NCC21CCOCC1 962955351 KQBVMKWCDZSLDU-KRWDZBQOSA-N 405.445 4.451 0 1 HIAF Cc1cc(C(F)(F)F)n(-c2nc([C@]3(C)NCCc4ccc(O)cc43)c(C)s2)n1 963342678 RRFZJSXHCLSGSR-GOSISDBHSA-N 408.449 4.079 0 1 HIAF CNC(=O)N1[C@H]2CC[C@@H]1C=C(c1[nH]c3nccc4c3c1CN(C)c1ccc(F)cc1-4)C2 1772615342 QYIGMXPNCQBARP-CVEARBPZSA-N 417.488 4.278 0 1 HIAF CC1=C[C@H](CNC(=O)N2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 2356337617 YFGHPNYOBMGZLM-ZCNNSNEGSA-N 410.562 4.002 0 1 HIAF CC(=O)c1ccc(NC(=O)N[C@@H]2CCCCN(Cc3ccc(Cl)cc3)C2=O)cc1 199718057 LYNBRSLJEADPFK-HXUWFJFHSA-N 413.905 4.245 0 3 HIAF Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)C[C@H]12 205216680 YHZGTYAZCNIXJK-GOTSBHOMSA-N 418.518 4.086 0 3 HIAF COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4cccc2c34)CC1 13531136 KKWLAMDBMSSPBI-UHFFFAOYSA-N 401.510 4.021 0 1 HIAF O=C(c1ccccc1)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 27866644 VLPVQRIMWYCIJC-PMACEKPBSA-N 413.429 4.181 0 1 HIAF CC(C)CCn1c(CN2C(=O)[C@@H](CC(=O)N(C)C)c3ccccc32)nc2ccccc21 28824409 FXQCWNMSMFCPCX-IBGZPJMESA-N 418.541 4.191 0 1 HIAF N[C@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(Cl)cc1Cl 38225736 QGBOALFDSLDKNK-AWEZNQCLSA-N 419.341 4.370 0 1 HIAF C[C@@H]1OC(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)=NNC1=O 40395207 NBFWTNMNGDCSHO-JTQLQIEISA-N 409.667 4.286 0 1 HIAF C[C@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82211920 MQOQUJONIQLGOG-KRWDZBQOSA-N 418.541 4.190 0 1 HIAF O=C(NCc1ccccc1Cn1cccc1C(=O)O)NC12CC3CC(CC(C3)C1)C2 95575169 CTHKDKLREUOIGQ-UHFFFAOYSA-N 407.514 4.003 0 1 HIAF Clc1ccc(Nc2ncc3ccnc(N4CCC5(COC5)C4)c3n2)c(Cl)c1 207612143 RWNJNJJDZATFSX-UHFFFAOYSA-N 402.285 4.302 0 1 HIAF C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1)c1ccc(F)cc1 299879415 KRAMBMDTHQGLIN-PNDGYVOYSA-N 421.472 4.454 0 1 HIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 587114111 VVCCZTXEJCUSGZ-FQEVSTJZSA-N 419.403 4.143 0 1 HIAF CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580844 FBQKFSZHQZYJSY-QVJSAIJNSA-N 409.482 4.294 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586487 IMBWOGSDUYGHQC-WTHGULFGSA-N 423.465 4.122 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOC[C@@H]2OCc1ccccc1 587617052 OJAOUBUBZCDZCC-WRALFONMSA-N 418.445 4.098 0 1 HIAF CCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)ccc21 587769270 AEEOKJZVVRSZKU-YUNKPMOVSA-N 403.295 4.041 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCC(=O)O)cc2)N1 587791391 IAXKSJBHMVVVQW-YUNKPMOVSA-N 422.294 4.239 0 1 HIAF Cc1cc2ncc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)n2n1 587799380 YMEOJHUZBLJRIR-OVWNDWIMSA-N 403.299 4.045 0 1 HIAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC 587808074 ONTGZOYEFZUXGP-MLCYQJTMSA-N 410.283 4.238 0 1 HIAF Cc1cc(=O)oc2cc(O[C@H](C)C(=O)n3nc4cc3Oc3ccc(F)cc3-4)ccc12 587874009 SACIDMXCNVMESY-GFCCVEGCSA-N 406.369 4.317 0 1 HIAF Oc1cc(-c2ccccc2F)c(O)n1-c1cc2cnccc2c(Br)n1 587941792 RGFSNDGHQOOFPG-UHFFFAOYSA-N 400.207 4.400 0 1 HIAF COc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)c3cc(OC)ccc3CCN2C(C)C)cc1 962091133 MVOKBSILAHTHFB-VWLOTQADSA-N 420.509 4.289 0 1 HIAF CC(C)[C@]1(CCc2cccc(N)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957882 CSIODTRSWZSNRV-UTKZUKDTSA-N 408.876 4.283 0 1 HIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2coc(-c3cccc(Cl)c3)n2)N1 963240162 YFDHIWZXNTZOFS-ICSRJNTNSA-N 405.841 4.232 0 1 HIAF CC(=CCCC(C)=CCCC(C)=CCCC(=CC[C@H]1OC(=O)C=C1CO)CO)CO 2356566727 QYNVMFGBDSWBRM-XMMPIXPASA-N 418.574 4.311 0 1 HIAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)c5ccco5)sc4C[C@@]3(C)CC[C@H]12 2356638040 PNAPMQNOFRGBAP-ZNNGOOCZSA-N 400.500 4.242 0 1 HIAF CC(=O)O[C@@H]1C[C@@]2(C)C=CC[C@@]3(CCCC(C)(C)[C@H]13)[C@]2(O)CCC1=CC(=O)OC1 2356779567 APVQQWUDOVEKPZ-GGXKXWDKSA-N 402.531 4.095 0 1 HIAF CCc1ccccc1NC(=O)[C@H]1CCCN(c2nnc(-n3c(C)ccc3C)s2)C1 6806141 LBHVNONBLAQCAH-SFHVURJKSA-N 409.559 4.363 0 1 HIAF O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(C=Cc3ccc(Br)cc32)CC1 13738164 RNDYFUDMQKJKSU-FGZHOGPDSA-N 410.355 4.338 0 1 HIAF COc1ccc2nc([S@@](=O)Cc3nc4ccc(Cl)cc4n4cccc34)[nH]c2c1 28639054 VKTASSVDAWDQFV-MUUNZHRXSA-N 410.886 4.334 0 1 HIAF CCSc1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29132661 TULMYMURBSZCRC-UHFFFAOYSA-N 405.570 4.333 0 1 HIAF Cc1ccc2c(=O)c(C(=O)NC3CCCCCC3)cn(Cc3ccc(F)cc3)c2n1 35050284 VQCHDSLTNRITFJ-UHFFFAOYSA-N 407.489 4.345 0 1 HIAF CC(=O)Oc1ccc2c(c1)O[C@@H]1c3ccc4c(c3O[C@@H](OC(C)=O)[C@H]21)C=CC(C)(C)O4 40879002 QNYBAIXINSUHRD-YMPZKCBVSA-N 422.433 4.295 0 1 HIAF O=C(NCCCCN1CC[C@@H](Oc2ccc(F)cc2)C1)Nc1ccc(F)c(F)c1 73129354 MCJUGFQQIQFBPW-GOSISDBHSA-N 407.436 4.159 0 1 HIAF CC(C)OC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1C[C@H](C)N[C@H](C)C1 73169231 DWQGPIJJNQYVIL-KDURUIRLSA-N 407.558 4.432 0 1 HIAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCOC)nc1-c1ccccc1F 82152161 SSXDBXXWZSUQON-UHFFFAOYSA-N 422.504 4.312 0 1 HIAF COC(=O)[C@@H](N)C[C@]1(C)C[C@H]2CC[C@H]1C[C@H]2C(C)(C)CCNC(=O)CCC(C)C 101097364 UASYBMLHVWZBST-UEHPKLIBSA-N 408.627 4.288 0 1 HIAF COc1cc([C@H]2c3cc4c(cc3C[C@H]3CSC[C@H]23)OCO4)cc(OC)c1OC 169318702 CBRABOXRKNQHCU-HTZUNMPGSA-N 400.496 4.108 0 1 HIAF COc1ccc(Br)cc1/C=C\C(=O)Nc1ccc2c(c1)CCCN(C)C2 206764063 PNNDRIWHXIPYFK-POHAHGRESA-N 415.331 4.488 0 1 HIAF O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccccc1Cl 299828890 HLYUGVWJGKJACE-LJQANCHMSA-N 415.921 4.138 0 1 HIAF CC(C)CCOc1ccc(Br)cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586981061 FEOZKPZOTSTWME-UHFFFAOYSA-N 410.703 4.225 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c1 587124780 CJEHIOXKMPCHGL-JVXZTZIISA-N 413.787 4.174 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)c(Cl)nc1C)[C@@H](C2)C3=O 587411558 DPIQJROSDSISFC-KPZWWZAWSA-N 408.679 4.477 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(CC(=O)O)cc4)cc1)[C@@H](C2)C3=O 587452352 SPIUCCKQSFKIIG-CPJSRVTESA-N 400.430 4.478 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(C(=O)OC)noc1C)CC2=O 587480898 GHBYCNMQXXRWFB-DEOSSOPVSA-N 421.449 4.337 0 1 HIAF CCOC(=O)c1nocc1[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587524787 KEDHTFLVMMXNIL-XMMPIXPASA-N 418.449 4.034 0 1 HIAF CC(=O)OC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547557 MGZIDOUHRPONQU-NFBKMPQASA-N 424.836 4.466 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1COC(C)=O 587589783 AJNFNRPJUYAZDK-QPPBQGQZSA-N 420.417 4.167 0 1 HIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc2c(c1)OCO2 587622916 JVIOXGAMHVJWKP-UHFFFAOYSA-N 413.231 4.096 0 1 HIAF CCn1cc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587688172 WZEXLOONGNVZNZ-XLKFXECMSA-N 417.120 4.191 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(F)cc(Cl)cc12 587737864 HWIGUVWNCWLKKW-BWKAKNAASA-N 413.649 4.111 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(F)cc1S(C)(=O)=O 587861976 YUSLHGGZBZFTNE-UHFFFAOYSA-N 414.380 4.109 0 1 HIAF COC(=O)c1cc2c([nH]c3ccccc32)c([C@@H]2Nc3ccccc3C(=O)N2C2CC2)n1 653778052 IBCZHWLEHKYJLI-JOCHJYFZSA-N 412.449 4.232 0 1 HIAF CC1CCN(c2ccc3nnnc(Nc4cccc(OC(F)(F)F)c4)c3n2)CC1 653780508 VLHGDSWCPGVECF-UHFFFAOYSA-N 404.396 4.298 0 1 HIAF C[C@@]1(Cc2c[nH]c3ccccc23)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962690496 AWWAKTXJZDIYSU-ICSRJNTNSA-N 406.379 4.383 0 1 HIAF NC(=O)N1CCc2sccc2[C@@H]1c1ccc(S(=O)(=O)CC2CCCCC2)cc1 962705779 GRTJAFDAWSUYSV-FQEVSTJZSA-N 418.584 4.128 0 1 HIAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cn2)CC1 1772631186 LQQIFSPLXNASKI-QAQDUYKDSA-N 416.449 4.403 0 1 HIAF COc1cc(-c2c([C@@H]3O[C@H](OC)[C@@H](C)[C@@H]3C)cc(OC)c(OC)c2OC)ccc1O 2356447886 IHPLSJOJWOIKLE-HRFQVFFTSA-N 418.486 4.410 0 1 HIAF O=S1(=O)c2ccc(Br)cc2O[C@H]2CCCC[C@@H]2N1Cc1ccccc1 61924417 YOHSCQBQNBFYRY-IRXDYDNUSA-N 422.344 4.344 0 3 HIAF CCC[C@H]1[C@@H](NS(=O)(=O)c2cccc(C)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206041526 IOOBMDYTJIPKDT-BESBDSHLSA-N 418.603 4.013 0 3 HIAF c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(Cc2nnn[nH]2)c1 589766 FYEPTRMAXPQQGA-UHFFFAOYSA-N 423.476 4.497 0 1 HIAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 769278 KLECVOOXRDWZGE-CTNGQTDRSA-N 410.857 4.350 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N[C@H](C)c3ccccc3)c(C)c2c1 2459871 KHONENYAQOQGNH-MRXNPFEDSA-N 414.527 4.263 0 1 HIAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)NCCCN1CCCC1=O 2485152 ANKBQEGOYUKOOS-UHFFFAOYSA-N 421.900 4.174 0 1 HIAF Oc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCSCC3)n2)c1 64559762 JEANMQVLLVHCBU-UHFFFAOYSA-N 404.499 4.022 0 1 HIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccccc3Br)ccc12 96905443 AAZGLWHVKGAYIW-IBGZPJMESA-N 415.312 4.378 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cc(OCC(C)C)ncc3F)C2)cc1 169709293 UFOGDGSZDWBCRK-JXFKEZNVSA-N 415.509 4.110 0 1 HIAF COc1cc2c(c(OC)c1O)[C@@H]1O[C@H](c3cc4c(c(OC)c3-2)OCO4)[C@H](C)[C@@H]1C 238785004 QITMVOBKZVSKFM-UWZRNMPPSA-N 400.427 4.212 0 1 HIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](F)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299849001 ZQZFTIODRGJPCF-RROGTSAFSA-N 410.570 4.426 0 1 HIAF O=[S@](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)C(c1ccccc1)c1ccccc1 586960342 OYBARJXEOFYOGW-GDLZYMKVSA-N 416.428 4.362 0 1 HIAF CC(C)(C)OC(=O)N1CC(c2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586988683 WCOVFBYAVBRFIX-UHFFFAOYSA-N 402.450 4.486 0 1 HIAF Brc1c(OCc2nc3ccc(-n4cnnn4)cc3[nH]2)ccc2ccccc12 587000081 FHCCWJVBSAWOHF-UHFFFAOYSA-N 421.258 4.033 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(OC)ncc4[nH]3)cc2)cc1F 587147240 HVXPPLAAVLSMQU-UHFFFAOYSA-N 404.445 4.113 0 1 HIAF Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2C 587340105 SDVFQWFVRQEDGS-QPPBQGQZSA-N 403.409 4.071 0 1 HIAF Cc1ccc2c(c1)OC[C@@]1(CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354904 BXFXQDCLIRGOLF-ISKFKSNPSA-N 406.409 4.409 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@H](C(=O)O)[C@@H]2C3)c1 587363641 RUULZRFZICCIKO-HBAYXTBCSA-N 414.461 4.044 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)ccc1I)[C@@H](C2)C3=O 587428311 NRWGJJAOJXGFRY-UGSOOPFHSA-N 424.209 4.102 0 1 HIAF CCOC(=O)c1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599194 WIQPUUYYAHGGCU-HYBUGGRVSA-N 404.418 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(F)cc2)N1 587727995 CLWZAPFJUHJVSR-WLRWDXFRSA-N 410.258 4.370 0 1 HIAF CCC[C@H](CC1(c2nc3c(O)ncnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782095 PPNOYDYKUVYVEM-QGZVFWFLSA-N 408.502 4.420 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cnccn3)s2)N1 587856768 XYZXOXYCMABJDS-ABKXIKBNSA-N 405.296 4.125 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3sc(N)nc32)N1 587859393 WLHNPBDPWIEPAK-YYSFKGJASA-N 410.356 4.377 0 1 HIAF CCOC(=O)c1cccc([C@@]2(CC)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962764287 LFQYZLSBTORJEN-GHTZIAJQSA-N 405.416 4.163 0 1 HIAF COc1cc([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)ccc1SCC(=O)O 963097479 FLQYDJQPSPQCMY-AOMKIAJQSA-N 401.503 4.295 0 1 HIAF O=C(O)c1cccc2c1CCN[C@]21C=COc2c(Br)cc(Cl)cc21 963121939 MIFNMIYRFAXFDB-GOSISDBHSA-N 406.663 4.096 0 1 HIAF CC(=O)Oc1ccccc1[C@@]1(c2ccc(Cl)cc2)NCCc2c(C(=O)O)cccc21 963128490 AQGDCISWHLLRBG-DEOSSOPVSA-N 421.880 4.401 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1 1772573308 VTDYYNZUXKTLJK-XOBRGWDASA-N 408.420 4.440 0 1 HIAF Cc1cccc(C(=O)NC2CCN(c3nccc(Nc4ccc(F)cc4)n3)CC2)c1 1857637727 MKLPZWYGHCKNQA-UHFFFAOYSA-N 405.477 4.067 0 1 HIAF COC(=O)C1=C(Nc2ccc(OC)cc2)C=C(C)[C@@H](C(=O)OC)[C@H]1c1ccc(C)cc1 3623451 JIEKOVLBZONABQ-FGZHOGPDSA-N 421.493 4.376 0 3 HIAF Cc1ccc2nc3n(c(=O)c2c1)-c1cc(Cl)ccc1C(=O)N[C@H]3Cc1ccccc1 36389176 WSWGSLKXJMDFHM-FQEVSTJZSA-N 415.880 4.375 0 3 HIAF COc1ccc(Cl)cc1Nc1nc(NCc2ccco2)nc(N2CCCC2)n1 6246611 GUTHHYXYRZWRFI-UHFFFAOYSA-N 400.870 4.083 0 1 HIAF CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(N[C@@H](C)O)nc21 26647780 TZBPMNNBOKMKLI-MRXNPFEDSA-N 402.502 4.437 0 1 HIAF CCC[C@H](CC(=O)O)n1ccc2cc(NC(=O)Cc3ccc4c(n3)NCCC4)ccc21 28475705 SSONDDGKHKLNPR-HXUWFJFHSA-N 420.513 4.392 0 1 HIAF O=C(O)CNC(=O)Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 28818361 MAYYBJVLFIHMFH-UHFFFAOYSA-N 403.438 4.080 0 1 HIAF COc1ccc(-c2c(C)nn3c(N[C@H](C)Cc4nnc(C)o4)cc(C)nc23)c(C)c1 38268417 AAWLWIAKLNIQGZ-CQSZACIVSA-N 406.490 4.065 0 1 HIAF CCc1cnc(-c2cnc(N(C)CC)nc2-c2cc(OC)c(OC)c(OC)c2)s1 82219849 WZHUFDUXMFDFNX-UHFFFAOYSA-N 414.531 4.311 0 1 HIAF CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O 95560833 VFIDGXZRONKQBZ-LJQANCHMSA-N 410.949 4.300 0 1 HIAF O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 95798533 PCECKKZHYFZSKH-XZOQPEGZSA-N 424.972 4.072 0 1 HIAF CCCCNc1c(-c2ccc(OCC(=O)O)cc2)nc2ccc(Br)cn12 95921226 OZIYUZINTQIIAN-UHFFFAOYSA-N 418.291 4.439 0 1 HIAF in-vitro CCOC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 100705816 MXXXVVPMDVQYNZ-GFCCVEGCSA-N 411.458 4.414 0 1 HIAF C/C=C/C(=O)N(c1ccc2c(c1)N(C(C)=O)CC2)C1CCN(Cc2ccccc2)CC1 103227888 BGOBWXKUOQUIBQ-XVNBXDOJSA-N 417.553 4.169 0 1 HIAF O=C(N[C@H](c1ccccn1)C(F)(F)F)c1ccc(C2CC2)c(OCC(F)(F)F)n1 143382956 DCNVVRADNMZNIR-CQSZACIVSA-N 419.325 4.329 0 1 HIAF CC(C)CC(=O)N1CCC(Oc2ccc(NC(=O)N3Cc4ccccc4C3)cn2)CC1 166368377 UOHTTZGCBWTDAM-UHFFFAOYSA-N 422.529 4.045 0 1 HIAF COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc(C)cc3)[C@H]21 169304115 MNOFHPHFRQOWGZ-QFIPXVFZSA-N 400.434 4.332 0 1 HIAF COc1ccc(Cl)c2c1CCC(CN1CCC(C(=O)N3CCCCC3)CC1)=C2 169324742 NWSJNJQGGFLYMM-UHFFFAOYSA-N 402.966 4.403 0 1 HIAF Nc1nc2ccc(NCC(F)(F)F)nc2n1C[C@@H](O)c1ccc(Cl)cc1Cl 169351118 LMUKORAVEXWMPG-GFCCVEGCSA-N 420.222 4.028 0 1 HIAF c1ccc([C@@H](CN2CCC(N3CCCCC3)CC2)N2CCN(C3CCCC3)CC2)cc1 198331877 QDJHRSQQAFCBBG-HHHXNRCGSA-N 424.677 4.238 0 1 HIAF COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cccnc2)cc1OC 200415662 LPGQBSBYTMECHF-GBXCKJPGSA-N 404.466 4.074 0 1 HIAF NCC(=O)O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 299808757 QRCGKZHMDVRFJM-HQLPGYIISA-N 404.554 4.073 0 1 HIAF OCCc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 587120034 OFQPBHSRGAVQOD-UHFFFAOYSA-N 423.398 4.493 0 1 HIAF Cc1cccnc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329963 BAAJTHNTAMKUGZ-URXFXBBRSA-N 420.440 4.381 0 1 HIAF Cc1ccc2c(c1C)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352818 YBZBRQQXPKXYCS-GBXCKJPGSA-N 403.409 4.355 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)(c1cccc(C=O)c1)CC2=O 587479469 IMIWPHCPJRVBOO-XMMPIXPASA-N 410.466 4.361 0 1 HIAF Cn1nccc1C(=O)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517271 KECFPRCTNSNHET-QFIPXVFZSA-N 402.450 4.225 0 1 HIAF C[C@]1(CC(=O)Nc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574062 YQOJRVMDPBRYSN-NFBKMPQASA-N 407.397 4.280 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CCNCC1 587590753 ALHLRIHGKBMTOZ-WIOPSUGQSA-N 401.462 4.249 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1CCCNC1 587595885 PJMJLXBTDVDMSE-PZGSVQSZSA-N 401.462 4.249 0 1 HIAF C[C@@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610090 PMAXMISAPLLBLY-NNVUEAPXSA-N 406.478 4.444 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3n(C)c2=O)N1 587772775 WMVWDZSKDXABHX-WLRWDXFRSA-N 401.279 4.064 0 1 HIAF CCOc1nc2sccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587854304 DCHPUZILNYSUFT-OTYXRUKQSA-N 410.312 4.320 0 1 HIAF CCOC(=O)[C@@H]1CCSCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587856969 JUGGBHFOOGTATD-FNFWKMNBSA-N 416.356 4.024 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(S(C)(=O)=O)c1 587866296 JERSCVDQNJHPIW-UHFFFAOYSA-N 410.417 4.360 0 1 HIAF CCN(CC)Cc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)o1 587867677 MGWMQNKFZLIHIV-UHFFFAOYSA-N 422.407 4.096 0 1 HIAF CCOC(=O)c1ccc([C@@]2(C3CC3)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962575916 WJXSRCRREPZQKS-PUAOIOHZSA-N 409.526 4.411 0 1 HIAF CC(=O)Oc1cccc([C@]2(c3ccc(F)cc3F)NCCc3c(C(=O)O)cccc32)c1 963144725 MCTGQXFIVZBVQR-DEOSSOPVSA-N 423.415 4.026 0 1 HIAF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(F)cc1Br 963224415 BXJIAUIMINHGID-RTBURBONSA-N 415.262 4.133 0 1 HIAF COc1cccc([C@H]2Oc3ccccc3[C@@]3(NCCc4cc(Cl)ccc43)C2=O)c1 963391618 VRKPAFWYOJVIOW-ISKFKSNPSA-N 405.881 4.441 0 1 HIAF C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCn2nc(C(=O)N3CCCCC3)cc2C1=O 1772590325 GIEHGPWCLJJPCI-ZDUSSCGKSA-N 421.328 4.033 0 1 HIAF CC(C)COC(=O)N1CCc2ncsc2[C@@H]1c1cc(Cl)ccc1OCC(=O)O 1772649477 POCVOXQFEPZZEC-KRWDZBQOSA-N 424.906 4.000 0 1 HIAF NC(=S)c1cccc(-c2cn(C3CCOCC3)c3cc(SCCO)ccc23)c1 1857620342 FFPSMWZARIQIEB-UHFFFAOYSA-N 412.580 4.378 0 1 HIAF CC(=O)CCC[C@H](NS(=O)(=O)CCC(Cl)(Cl)Cl)c1ccccc1 12472561 AJZOXYVKPBXNAC-AWEZNQCLSA-N 400.755 4.167 0 3 HIAF COc1ccc(-c2coc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1 61958735 UQQINCMHNCYWTB-UHFFFAOYSA-N 419.525 4.248 0 3 HIAF CC[C@@H](c1nnnn1-c1c(C)cccc1C)N1CCN(C/C=C/c2ccccc2)CC1 72141020 YUCQSDHNAYLYHS-PZVJUEDKSA-N 416.573 4.061 0 3 HIAF COc1ccccc1NC(=O)CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21 5053337 QMIYMTSCRXNXLN-HXUWFJFHSA-N 408.479 4.497 0 1 HIAF CCOc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1 13582615 WNKSRDBBYKDORB-UHFFFAOYSA-N 400.364 4.347 0 1 HIAF COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2CC2CCCC2)cc1 13761530 CTANMDRPZQDKDO-DEOSSOPVSA-N 408.450 4.160 0 1 HIAF CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1 22924793 RURVOBDSGULLAW-UHFFFAOYSA-N 415.603 4.493 0 1 HIAF COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OC(C)C)c34)O[C@H]21 26148336 QPMSDLVPDBQHOL-HSZRJFAPSA-N 406.482 4.499 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3CCC(=O)CC3)CN(C)[C@H]1C2 27519177 OPRMTQOPGCSFLB-OAOOKAIFSA-N 408.542 4.237 0 1 HIAF O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cn([C@H]2CCCNC2)c2ncccc12 28862397 FIACVOPAQZIBSC-AWEZNQCLSA-N 410.326 4.100 0 1 HIAF c1ccc([C@H]2NC(N3CCN(c4ccccn4)CC3)=NC3=C2CCc2ccccc23)cc1 45245656 CJHJOBCAYYMFIZ-RUZDIDTESA-N 421.548 4.262 0 1 HIAF COc1ccc2c(=O)c(-c3ccc(OC[C@@H](O)CNC4CCCCC4)cc3)coc2c1 49037024 WDYZBXOFGYVEHB-IBGZPJMESA-N 423.509 4.131 0 1 HIAF CCCC[C@@H](CC)CNc1nc(NCCCCO)nc2cc(OC)c(OC)cc12 82128017 ULBKJRLTKONLRC-MRXNPFEDSA-N 404.555 4.460 0 1 HIAF CCNc1nc(N2CCN(c3cc(C)ccc3C)CC2)nc2cc(OC)c(OC)cc12 82132054 GSRLKKCRWJVJLN-UHFFFAOYSA-N 421.545 4.022 0 1 HIAF c1ccc(CCCNc2ncnc3c2nc(-c2ccoc2)n3C[C@@H]2CCCO2)cc1 82179891 KAYOEPHTLORHDQ-IBGZPJMESA-N 403.486 4.310 0 1 HIAF COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)[C@@H]2COc3ccccc3O2)cc1 95563177 JCSMWROUIBBVBP-URXFXBBRSA-N 414.461 4.213 0 1 HIAF COc1ccccc1OCCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 96939458 UMKVCAQGQBPXMY-GOSISDBHSA-N 420.509 4.128 0 1 HIAF COC(=O)c1ccccc1-c1ccc(-c2cc(=O)cc(N3CCOCC3)s2)cc1 101394961 MLVJNGDTAGOWMA-UHFFFAOYSA-N 407.491 4.066 0 1 HIAF O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1 169333654 BSLUDLDLEQWAJM-UHFFFAOYSA-N 402.450 4.201 0 1 HIAF C[C@H]1c2ncnc(-c3ccn[nH]3)c2CCN1C(=O)c1ccc(Cl)c(F)c1Cl 225928040 LOJONRQOONJVNB-VIFPVBQESA-N 406.248 4.072 0 1 HIAF C[C@H]([C@@H]1C[C@H]1C(=O)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 299848590 SPBCVLSZAPVLJN-MTXTVINOSA-N 404.591 4.334 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc(Cl)c2[nH]1 586939011 YTOYJUVTPZNOCR-AWEZNQCLSA-N 424.979 4.001 0 1 HIAF Fc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1Br 587005222 CXZFSKLGQQFPHG-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF COc1nccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587033314 YPKBTJHYKFJGDQ-BZPKPHBRSA-N 401.517 4.093 0 1 HIAF COc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1F 587063946 FPUCIUSIDQNZJD-UHFFFAOYSA-N 413.836 4.272 0 1 HIAF Fc1cnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 587178565 FNNQADRZNKZFRF-UHFFFAOYSA-N 407.108 4.387 0 1 HIAF O=C(c1c(Cl)ccnc1Cl)c1c(CO)oc2cc(Br)cnc12 587275432 AQWBWHTWJRXSMF-UHFFFAOYSA-N 402.031 4.015 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cccc(Br)c1)O2 587376762 KGXFRRKMUHKXGH-WHXUGTBJSA-N 401.304 4.276 0 1 HIAF COc1ccccc1NC(=O)[C@H](N=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511767 NKLIDVGOKUJAEZ-JTHBVZDNSA-N 408.454 4.072 0 1 HIAF C[C@]1(c2cc(F)nc(N3CCCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569848 MOJJOMDWHMLRBC-ZJSXRUAMSA-N 420.440 4.404 0 1 HIAF Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602969 KGOMCMVIILTMMH-URXFXBBRSA-N 404.418 4.423 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](CC(=O)O)c3ccccc32)N1 587827656 LPEKRZPKEAVLKG-YZRASEIHSA-N 404.279 4.328 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587828667 OSJCAKLYYXBLGA-HOGDKLEQSA-N 408.267 4.302 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC[C@@H]3CO3)cc2)N1 587834398 RDSMMJMFUAAQBC-RRBXVBTKSA-N 406.295 4.164 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ncccn3)n2)N1 587851151 HLXZGUUUHDAFHT-BJOHPYRUSA-N 405.296 4.125 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)cs2)N1 587853121 OZZKAYRVPZXGHI-SREIQFSDSA-N 406.118 4.431 0 1 HIAF COc1cccc([C@]2(c3cc(F)c(F)c(F)c3)NCCc3ccc(F)c(C)c32)n1 962089227 GHGKZXSLYPRZFM-QFIPXVFZSA-N 402.391 4.393 0 1 HIAF CCOc1ccc2[nH]cc([C@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)c2c1 962662575 ILLOCMVWOCCUCF-RCZVLFRGSA-N 415.493 4.303 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C(=O)O)[nH]c3cc(OC)cc(OC)c23)N1 962949270 FCJZAGFKLJZPQK-IPQOISQHSA-N 419.481 4.378 0 1 HIAF COC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)NCCc2cnc3c(OC)cccc3c21 963054237 HYCSGBOVNKTEGQ-CYFREDJKSA-N 424.928 4.290 0 1 HIAF CS(=O)(=O)c1ccc(-c2cccc([C@H]3c4c(F)cccc4C[C@H]4CCCN43)n2)cc1 963108367 LOPSFAWVEUZVDW-KOSHJBKYSA-N 422.525 4.401 0 1 HIAF COC(=O)c1cc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cn1C 963816462 BNQVZVKZSLDUQX-QHCPKHFHSA-N 415.493 4.107 0 1 HIAF Cn1c([C@H]2[C@H]3c4cc(Oc5ccnc6c5CCC(=O)N6)ccc4O[C@H]32)nc2ccccc21 1772597923 HJYUNCUCFSUWLN-XPWALMASSA-N 424.460 4.287 0 1 HIAF Cn1c(NCCc2ccc(-c3ccc(F)cc3)cn2)nc2cc(Cl)ccc2c1=O 1772636000 ALNRBBFSVVQYSF-UHFFFAOYSA-N 408.864 4.443 0 1 HIAF C=CC(=O)N1CC[C@@H](n2cc(-c3cc4cccc(C)c4s3)c3c(N)ncnc32)C1 1857570211 VNADRHYCOKIGMT-OAHLLOKOSA-N 403.511 4.163 0 1 HIAF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 767402 TWVOIYWZHGWKKM-GGAORHGYSA-N 402.494 4.066 0 1 HIAF Cc1cc(S(=O)(=O)Nc2cccc(F)c2)c(C)c(S(=O)(=O)c2ccccc2)c1 1507724 OMDSIHCLAPJZKX-UHFFFAOYSA-N 419.499 4.076 0 1 HIAF Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 3022299 WEQOIAUEAVMNTG-UHFFFAOYSA-N 424.497 4.133 0 1 HIAF O=C1C[C@H](c2ccc(O)cc2)c2c(cc3c(c2O)C(=O)C[C@H](c2ccccc2)O3)O1 13382673 ZDCISPDGWCQAIP-SJLPKXTDSA-N 402.402 4.245 0 1 HIAF biogenic Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C3CCCC3)CC(=O)N21 16032550 ZOPXHHOLCBZBDL-RCZVLFRGSA-N 413.521 4.104 0 1 HIAF biogenic Cc1ccc(NC(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@@H]3[C@@]2(C)CO)cc1 25233235 DFPGMORDBHSFDI-FKXIVILXSA-N 401.503 4.053 0 1 HIAF biogenic Clc1ccccc1Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 27618828 VVASUAPGRZSQRY-UHFFFAOYSA-N 408.933 4.132 0 1 HIAF Clc1ccc(Cc2cc(-c3ccccc3)nnc2NCCN2CCOCC2)cc1 27621990 RXJAPOWGYNEAJL-UHFFFAOYSA-N 408.933 4.132 0 1 HIAF O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2cccc3c2[C@H](CCC3)C1 27721157 PCBIAAORUZQYFI-JOCHJYFZSA-N 408.586 4.454 0 1 HIAF CCCOc1ccc(OC)cc1CCNC(=S)Nc1ccc(Br)cn1 40874138 QXRVGIJDGBLRDZ-UHFFFAOYSA-N 424.364 4.171 0 1 HIAF CCN(C)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccccc1F 82153011 QLPCDETVQAXKGK-UHFFFAOYSA-N 424.476 4.004 0 1 HIAF OC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 95873235 IBZUTKZKACVZJU-BHIFYINESA-N 408.508 4.431 0 1 HIAF O=S(=O)(c1ccc(F)cc1)N1c2cc(F)c(F)cc2-c2n[nH]cc2[C@H]1C1CC1 96906443 FCEYYAAYMFUVEU-LJQANCHMSA-N 405.401 4.154 0 1 HIAF O=C(NC1C[C@H]2CCC[C@H](C1)N2CC(=O)N1CCCc2ccccc21)C1CCCCC1 101906237 BSFLJRGGSSSJBJ-DHIUTWEWSA-N 423.601 4.048 0 1 HIAF C[C@H](NC(=O)C1CC1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 169709491 RSWQELPLJNRBEB-KSSFIOAISA-N 419.447 4.345 0 1 HIAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C(C)(C)C)n1 223518503 SQZDAJXSDGJGHP-HZPDHXFCSA-N 401.518 4.129 0 1 HIAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC4CCOCC4)n3)c(Cl)cn2)CC1 261185103 XDZCBOJGXFYBAM-KOMQPUFPSA-N 402.926 4.103 0 1 HIAF CC(C)(SCc1nc2cc(Br)c(Br)cc2[nH]1)C(=O)O 586958077 CZOSVJHYJQVMPY-UHFFFAOYSA-N 408.115 4.184 0 1 HIAF O=c1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cn1Cc1ccc(Cl)cc1Cl 587052580 WICLWPPFXQYKAM-UHFFFAOYSA-N 406.660 4.142 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc3c(c2)CCCC3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444507 ZSXJQGURENYJSP-NLFFAJNJSA-N 406.478 4.170 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587474827 HOHXWUGANBMYDT-WZONZLPQSA-N 419.518 4.441 0 1 HIAF C[C@]1(c2ccc(S(=O)(=O)C(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502542 FJUOGQOZGUPHJW-OAQYLSRUSA-N 406.450 4.442 0 1 HIAF O=C1C[C@@H](c2cncc(I)c2)Oc2c1ccc1c2CCCC1 587506126 NPOUSOZFVBGACD-KRWDZBQOSA-N 405.235 4.272 0 1 HIAF C/C(=C\[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587572506 PQCQMPUCJMPDLE-BZCKLZNTSA-N 402.450 4.110 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccc(F)cc2)c1 587573353 VYPHHRHRBRDEAJ-ZJSXRUAMSA-N 416.408 4.479 0 1 HIAF CC(C)(C)OC(=O)N1CCC12CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593113 JJHDFZJIPHFLPE-WZFBRQLOSA-N 423.465 4.266 0 1 HIAF CCOC(=O)C[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610322 FLQLZRUVUFSGNA-UGKGYDQZSA-N 410.447 4.264 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccn(C)n2)N1 587734388 NDTWXPWZVUUMGK-ODXCJYRJSA-N 418.285 4.287 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2cccnc2)N1 587767968 ZIHVEBANYTUGQD-JEOXALJRSA-N 401.283 4.007 0 1 HIAF COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587806800 JMEBODKFHABRJB-MPBGBICISA-N 422.294 4.239 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N(C)C)nc2Cl)N1 587850894 FZSWGPIODPXFRU-JMCQJSRRSA-N 404.736 4.388 0 1 HIAF CCOc1ccc(NCN2C(=O)c3cccc(NC(=O)c4ccccc4)c3C2=O)cc1 653719130 YGBAJMXMFYOQJJ-UHFFFAOYSA-N 415.449 4.003 0 1 HIAF COc1cccc(CC[C@H]2CCCCN2C(=O)c2cc(C)ccc2-n2nccn2)c1 653795665 REOZYZIIPOJEAW-HXUWFJFHSA-N 404.514 4.212 0 1 HIAF Cc1nc(CCN2CCCN(Cc3ccc(F)cc3)CC2)cc(-c2cccs2)n1 1857553029 LPIWQUMTRVIDBA-UHFFFAOYSA-N 410.562 4.403 0 1 HIAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12 6716963 HJRBYTHOWGFPSH-QGZVFWFLSA-N 403.935 4.259 0 1 HIAF CC(=O)Nc1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1 14957502 ZDDCPXDMNGMWAB-FQEVSTJZSA-N 400.482 4.137 0 1 HIAF CCCCCC[C@H](NC(=O)c1ccc(/C=C/C(=O)O)cc1)C(=O)NC1CCCCC1 26816467 YSIDPNMICYWINA-UEBLJOKOSA-N 414.546 4.302 0 1 HIAF CC1(C)OC[C@H](NC(=O)Nc2cccc(Br)c2)[C@H](c2ccccc2)O1 28376213 CWIGKMNWNMFGJY-IRXDYDNUSA-N 405.292 4.463 0 1 HIAF CCOC(=O)c1cc2cc3c(cc2nc1NC(=O)Nc1ccc(Cl)cc1)OCO3 43151177 VYSPTNOSPHOCNO-UHFFFAOYSA-N 413.817 4.438 0 1 HIAF COCCn1c(C2CC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 82189924 WJLZGKIKRYEFKT-UHFFFAOYSA-N 406.317 4.312 0 1 HIAF COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(CO)ccc3O)cc1)N(C)CC2 85956058 SPAVXPIRHUDLJN-NRFANRHFSA-N 421.493 4.163 0 1 HIAF COc1ccc(C2=NN(C(=O)[C@H]3COc4ccccc4O3)[C@@H](c3ccccc3)C2)cc1 95563592 JJNGTQBXROZDIP-ZJSXRUAMSA-N 414.461 4.213 0 1 HIAF CC(C)[C@@H](CS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O 95567270 UELNISCINDEYPN-QGZVFWFLSA-N 411.317 4.247 0 1 HIAF O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(Cl)ccc1O 95594483 CZJBJVVEZNJXSF-UHFFFAOYSA-N 402.859 4.099 0 1 HIAF CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4cc(Cl)cc(Cl)c4)cc32)N=C1N 95603269 ZXOLJYUYPJRDLJ-HXUWFJFHSA-N 404.297 4.204 0 1 HIAF CCN(CC)C[C@@H](O)COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O 103202930 XOYITCALCICNBY-QGZVFWFLSA-N 407.466 4.288 0 1 HIAF Cc1ncncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 116820617 LXBHQPCJVRNUPD-UHFFFAOYSA-N 405.355 4.258 0 1 HIAF Cc1nc2cc(-n3ncc(C(=O)c4cc(-c5cccc(F)c5)c[nH]4)c3N)ccc2[nH]1 149903628 NEZWQSDNUYDARK-UHFFFAOYSA-N 400.417 4.004 0 1 HIAF S=C1N[C@H]2/C(=C/c3ccccc3Cl)CNC[C@@H]2[C@H](c2ccccc2Cl)N1 169308424 ULTQRBSNPGXDHC-RBIHUEADSA-N 404.366 4.184 0 1 HIAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@H]21 169373633 KCGXXRBMPRXFSA-OEUWWYETSA-N 406.448 4.348 0 1 HIAF Cn1cc(-c2cc3ccncc3nc2OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)cn1 205869603 GUHJHNGFKCUGHF-AEFFLSMTSA-N 408.465 4.156 0 1 HIAF COc1cc([C@H]2Oc3cc(OC)c4c(c3[C@@H]2CO)CCc2cc(O)ccc2-4)ccc1O 238776216 XKQDVEXEOLLCBI-AVRWGWEMSA-N 420.461 4.090 0 1 HIAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(C(F)(F)F)n3)nn21 473104964 QSMJJUXIKHNQRD-GFCCVEGCSA-N 420.366 4.236 0 1 HIAF Brc1ccc(NCCN2CCN(Cc3cc4ccccc4[nH]3)CC2)cc1 473134419 CCHNZOHVOULQIT-UHFFFAOYSA-N 413.363 4.160 0 1 HIAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c1 586921999 JVNMEQPSFSZJSJ-UHFFFAOYSA-N 413.724 4.363 0 1 HIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(C)nc(C)cc4[nH]3)c2)cc1 586930374 CFFHLVBBEIENSL-UHFFFAOYSA-N 406.511 4.375 0 1 HIAF COC(=O)c1cc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc2cc1OC 587162568 GEDHMVIUGHZWRL-UHFFFAOYSA-N 404.397 4.395 0 1 HIAF Cn1cc(C(=O)Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cn1 587517856 WICXFJBBNSHEAG-QFIPXVFZSA-N 402.450 4.225 0 1 HIAF CCOC(=O)CCOCCCOCCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587568024 JVPBURXGDIODLP-UHFFFAOYSA-N 412.486 4.274 0 1 HIAF CCOC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc1C 587615275 GIEFJTYDRXCWRK-AUSIDOKSSA-N 408.406 4.347 0 1 HIAF Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587839639 UFLYVVKMTMZSHH-FKIZINRSSA-N 404.279 4.292 0 1 HIAF CCc1ccc(C(=O)CCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587956494 DLOLONFWKGYBPA-UHFFFAOYSA-N 401.470 4.000 0 1 HIAF COc1cc2c(cc1OC)[C@@H](c1c(Br)cccc1N(C)C)N(C)[C@@H](C)C2 962568220 DRIPPAKSYFKIDQ-ZSEKCTLFSA-N 419.363 4.498 0 1 HIAF COC(=O)c1ccc(C[C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962952206 GUUMSOZRXMIXKW-LJQANCHMSA-N 419.443 4.427 0 1 HIAF Cc1ccc(F)cc1[C@]1(C(F)(F)F)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983808 ZURGKNYUPGHQGM-DYVFJYSZSA-N 423.740 4.471 0 1 HIAF CCOC(=O)C(F)(F)c1ccc([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)n1C 963096152 CSGKKLDMWNMYQO-BTYIYWSLSA-N 406.448 4.103 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1ccc(CO)cc1 963862577 CENCGQJSLRGJGR-DENIHFKCSA-N 411.498 4.213 0 1 HIAF COc1cc(C(=O)c2nc(=Nc3ccccc3)[nH]c3ccsc23)cc(OC)c1OC 1857548008 CFMXOJIVWPXURJ-UHFFFAOYSA-N 421.478 4.114 0 1 HIAF C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)cc2C(=O)O)C1 1857562790 FWVSXRCCXRMYBR-SFHVURJKSA-N 417.465 4.390 0 1 HIAF Fc1cc(-c2ccnn2Cc2ccccc2)cc2c1nnn2-c1ccc2c[nH]nc2c1 1857572456 YGNTXXMGYPHZRD-UHFFFAOYSA-N 409.428 4.348 0 1 HIAF CNC(=O)c1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1 1857580362 SGUSZSDPZLQSAG-UHFFFAOYSA-N 412.371 4.322 0 1 HIAF COc1cc2c(Nc3cc(F)ccc3Br)ncnc2c(OC)c1OC 1857751574 QDOXOKIXAYNNIN-UHFFFAOYSA-N 408.227 4.301 0 1 HIAF Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn([C@H]3CCCN(CC(F)(F)F)C3)nc12 1911584208 OZZZXYNMOPESRV-SFHVURJKSA-N 418.463 4.218 0 1 HIAF CN1CC[C@@H](c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)C1 3976215 NJAWBWFJLFGUHK-CQSZACIVSA-N 419.344 4.060 0 1 HIAF COc1ccc(CCN2CCN(c3ccccn3)CC2)cc1OCCc1ccccc1 13795785 AACNPPGIALSYEJ-UHFFFAOYSA-N 417.553 4.076 0 1 HIAF N=C(c1ccc(/C=C/c2cn3cc(C(=N)N4CCCC4)ccc3n2)cc1)N1CCCC1 27432812 VMWNXIFSYCFTNE-JYKJAWFRSA-N 412.541 4.347 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)OC3CCC(O)CC3)CN(C)[C@H]1C2 27517938 NIKORHQFCQVBNS-ITAIYHPASA-N 410.558 4.029 0 1 HIAF COc1cc([C@@H]2C(=O)OC[C@H]2C(=O)c2cccc3ccccc23)cc(OC)c1OC 28378464 YPCYFZPHBYZMDW-NQIIRXRSSA-N 406.434 4.005 0 1 HIAF O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45231282 FPUWFOFVSFBMCY-QGZVFWFLSA-N 400.309 4.479 0 1 HIAF CCCCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cccnc3)cc2n1 45300181 DGQOFSPXJPBFKY-UHFFFAOYSA-N 401.474 4.083 0 1 HIAF O=C(NCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cccc2[nH]ncc12 49110171 PXKWENVRPACNCU-UHFFFAOYSA-N 418.423 4.289 0 1 HIAF C[C@H]([C@H]1C[C@H]1C(=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 96941740 SPBCVLSZAPVLJN-NPSBXMAWSA-N 404.591 4.334 0 1 HIAF O=C1CCc2ccc(NC(=O)N[C@@H]3CCOc4c3cccc4C(F)(F)F)cc2N1 144374601 WJQNRMAFNRYGRB-OAHLLOKOSA-N 405.376 4.235 0 1 HIAF CCOc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 199713934 OGSOCIXLJNBSBS-NRFANRHFSA-N 421.497 4.376 0 1 HIAF O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O 377799867 SYOPUPVJVPBMDM-UHFFFAOYSA-N 421.301 4.474 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)ccnc2[nH]1 586934862 FJFAXQCQRNOMPJ-CQSZACIVSA-N 424.979 4.001 0 1 HIAF COC(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586960875 QNWWDGGAMPNYCD-GDLZYMKVSA-N 404.491 4.388 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3c(F)c(F)c(S)c(F)c3F)nc-2[nH]1 587135190 VBBVGODRWCPFOO-UHFFFAOYSA-N 421.379 4.134 0 1 HIAF COc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](c1ccccc1)O2 587407098 AHICKJZHVZNAIL-LOSJGSFVSA-N 415.445 4.306 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCc4cc(SC(=O)N(C)C)ccc41)[C@@H](C2)C3=O 587453449 SNRXBCGEKAIQRE-FDDCHVKYSA-N 409.507 4.448 0 1 HIAF O=C(Cc1ncc(C(F)(F)F)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651060 AUDGOIKVTQWUFS-UHFFFAOYSA-N 402.159 4.000 0 1 HIAF C[C@H](Oc1ccccc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656514 MHLTYZXIUPFYLO-AWEZNQCLSA-N 406.388 4.449 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)oc3ccc(F)cc3c2=O)N1 587732603 NFUOCBRUCVXJIP-WNWIJWBNSA-N 421.241 4.040 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCC(=O)N3)N1 587792972 JBFBMVZRTVVKIW-GIPWTMENSA-N 403.295 4.271 0 1 HIAF COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)=O 587810023 WDWAOWQCGFQHTL-XTZNXHDOSA-N 408.267 4.146 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(C(=O)O)ccc1OC2(C)C 587828893 AURYZZLVHVXMPY-WVDJIFEKSA-N 420.278 4.235 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCN1CCOCC1 587859835 MMJZZACHMBLRCG-UHFFFAOYSA-N 412.317 4.008 0 1 HIAF COc1ccc(-c2cccc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c2)cc1 587934952 IUHIULSGKWRRSR-UHFFFAOYSA-N 407.495 4.156 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C(=O)O)c1cc(Cl)ccc1Cl 963052948 HNWQWCFAAMZEBX-FQEVSTJZSA-N 403.265 4.024 0 1 HIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1cccc(CC(N)=O)c1N 963245109 ZIPMVYBOKBCJDJ-UZTOHYMASA-N 413.565 4.245 0 1 HIAF CC(C)N1CCN(Cc2ccc(-c3[nH]nc4nc(-c5ccc(O)cc5)ccc34)o2)CC1 1857592616 NENFVFLRFBEVMY-UHFFFAOYSA-N 417.513 4.117 0 1 HIAF CNC(=O)c1cc(Oc2ccc([C@@H]3CC(c4ccc(Cl)cc4)=NN3)cc2)ccn1 1857757366 VMLBFLIQTBJGMA-FQEVSTJZSA-N 406.873 4.326 0 1 HIAF C[C@@H](Oc1cc(-c2cnn([C@H]3CCOC3)c2)cnc1N)c1cc(F)ccc1Cl 1911573006 MASVJIOKTQWYRN-WBMJQRKESA-N 402.857 4.421 0 1 HIAF CCCCC(=O)N(Cc1ccco1)[C@H](C(=O)NCc1ccccc1)c1cccnc1 2356808818 AKLKAYJWWGJZPO-QHCPKHFHSA-N 405.498 4.251 0 1 HIAF O=C(N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cc(-c2ccccc2)no1 199716439 QWFWNJQBFAITGY-IBGZPJMESA-N 423.900 4.306 0 3 HIAF CC(=O)Nc1cccc(NC(=O)C[C@@]2(C)N=C(c3ccc(C(C)C)cc3)N(C)O2)c1 205213054 YDXBSNLPXIRCAR-QHCPKHFHSA-N 408.502 4.137 0 3 HIAF CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C[C@@H](C(C)(C)O)O2 1660868 KQLMUJOKBRYEHR-IBGZPJMESA-N 422.477 4.454 0 1 HIAF biogenic C[C@@H](c1cccc(F)c1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492049 RWJGSFQTPGMYOF-AWEZNQCLSA-N 406.436 4.499 0 1 HIAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1ccccc1OC)CCCCC3 13837599 XLMIDAUGLPRGAE-HXUWFJFHSA-N 408.498 4.303 0 1 HIAF CCN(CC)C[C@@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21 22863731 RLUNJKJUFRFYJM-IBGZPJMESA-N 420.557 4.113 0 1 HIAF CCCCCn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O 26380270 XWMNMXTZRCBLCI-NRFANRHFSA-N 409.505 4.015 0 1 HIAF O=C(COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12)NCC(F)(F)F 28365349 KAEFXDIGFSGDGQ-UHFFFAOYSA-N 420.362 4.289 0 1 HIAF O=C1NC(=O)[C@H](Cc2ccc(C(=O)CCc3coc(-c4ccccc4)n3)cc2)S1 29548595 IPLGYYXTAQDNOV-IBGZPJMESA-N 406.463 4.051 0 1 HIAF CN(c1ncc(-c2cccc(CNCC[C@@H]3CCCN3C)c2)cn1)C1CCCCC1 45186540 AKBHGWUSDAKXAX-QHCPKHFHSA-N 407.606 4.486 0 1 HIAF COc1cc(NC[C@@H](O)CNc2cc(Cl)nc3ccccc23)nc2ccccc12 45202135 KTHFNEWXEHBINF-AWEZNQCLSA-N 408.889 4.330 0 1 HIAF COc1ccc(-c2c(Cl)sc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1 45284057 PKFGZOLMTCRLSK-UHFFFAOYSA-N 407.875 4.254 0 1 HIAF CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccc(C(F)(F)F)cc1 49068357 NEWZJVWWKZRZLK-OAQYLSRUSA-N 405.416 4.372 0 1 HIAF COc1ccc(N(C(C)=O)C(F)F)c2sc(NC(=O)c3ccc(F)cc3)nc12 53298492 KUJIOLYBGGCRQG-UHFFFAOYSA-N 409.389 4.272 0 1 HIAF COc1ccc(-c2c(C)nn3c(N[C@@H](C)Cc4nc(C)no4)cc(C)nc23)c(C)c1 64559167 VLXQXCJWWFDHJX-AWEZNQCLSA-N 406.490 4.065 0 1 HIAF CN(C)Cc1ccc([C@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@@H]2c2ccc(F)cc2)cc1 68201035 QOITWWGIMYRLSV-FYYLOGMGSA-N 414.484 4.423 0 1 HIAF COc1cc([C@@H]2Oc3cc4c(c(OC)c3[C@@H]2CO)-c2ccc(O)cc2CC4)ccc1O 85645047 CNSFVRRYBBNAGQ-UUOWRZLLSA-N 420.461 4.090 0 1 HIAF biogenic,in-vitro CN(C)Cc1ccc([C@@H]2Nc3cc(F)cc4c(=O)[nH]nc(c34)[C@@H]2c2ccccc2)cc1 118621366 AYGBRSIXAPSSRF-GGAORHGYSA-N 414.484 4.423 0 1 HIAF CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 147944847 ABOIZKMFUAANLN-FDDCHVKYSA-N 420.598 4.119 0 1 HIAF CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 195489749 AHUKDBFUVJNLJK-SDUSCBPUSA-N 401.510 4.439 0 1 HIAF O=C1N[C@H](Cc2ccccn2)COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 206191124 IGZQYWCJKKQMNN-QGZVFWFLSA-N 414.383 4.381 0 1 HIAF C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1)c1ccc(F)cc1 299879416 KRAMBMDTHQGLIN-VSUDMRMVSA-N 421.472 4.454 0 1 HIAF COc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cn1 587001169 UFXLSLGMGFAMKA-UHFFFAOYSA-N 410.275 4.403 0 1 HIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(F)c1 587144543 KTJUNFXIRPGUIH-UHFFFAOYSA-N 414.400 4.018 0 1 HIAF CC(C)(C)OC(=O)NC1(c2nc3cccc(Br)c3[nH]2)CCC(=O)CC1 587235466 NOHYEJYBGLJDJD-UHFFFAOYSA-N 408.296 4.189 0 1 HIAF Cc1ccc(F)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587337881 SGKPDVWBXXTZEV-WMZHIEFXSA-N 407.372 4.185 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2nc[nH]n2)(c2cccs2)[C@H]1c1ccc(F)cc1 587371694 CVAOVRJNKZXNHL-GHTZIAJQSA-N 407.426 4.014 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)CCC(=O)O)c1)CC2=O 587470437 NFMYHXDJZPAZEF-QHCPKHFHSA-N 411.454 4.029 0 1 HIAF CCOC(=O)C(=O)C[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504829 NOILDALPIOEICM-DEOSSOPVSA-N 410.441 4.088 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)c(O)c1 587555706 LTSNZJUFAGTCFY-FXAWDEMLSA-N 400.333 4.402 0 1 HIAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC 587594631 OZYPVEUEEFXMFR-CVDCTZTESA-N 422.433 4.429 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ncccc3C)c(=O)c3ccccc23)c(O)c1 587665922 UAHSQQNXDAHSFP-UHFFFAOYSA-N 400.482 4.308 0 1 HIAF CC(=O)NCc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587847891 MLZWTNNOEKYNTL-MLCYQJTMSA-N 411.340 4.084 0 1 HIAF Nc1nccc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)n1 653670277 FWAGQRSZXOLXIU-UHFFFAOYSA-N 418.478 4.046 0 1 HIAF O=c1ccc2ccc(OCc3cn(Cc4ccc(C(F)(F)F)cc4)nn3)cc2o1 653687488 VNNQPWCPIZEGOK-UHFFFAOYSA-N 401.344 4.031 0 1 HIAF Cc1c(F)cccc1[C@@]1(CCCC(=O)O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962731411 RMDUMWXLKHCVGB-GHTZIAJQSA-N 423.406 4.278 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)c(F)c2)c2ccsc2CCN1Cc1cccnc1 962989590 ACJAYGDFUIDFFQ-HSZRJFAPSA-N 410.514 4.456 0 1 HIAF COc1ccc([C@]2(C)NCCc3c2sc(C)c3C)cc1I 963012716 QOYIZNDRZOWSNL-KRWDZBQOSA-N 413.324 4.387 0 1 HIAF O=C(NCc1ccco1)c1cc([C@]2(C3CC3)c3ccc(F)cc3C[C@H]3CCCN32)c[nH]1 963104136 HGHMWYIPRGBYLQ-CJFMBICVSA-N 419.500 4.351 0 1 HIAF Cc1cc2c(cc1O)[C@H](c1ccc(OCc3ccccc3)cc1C)N[C@H](C(=O)O)C2 963512524 XBQFUPLCRCDTKW-UPVQGACJSA-N 403.478 4.276 0 1 HIAF Cc1cc2c(cc1O)[C@](c1ccnc(Cl)c1)(C1CCCCC1)N[C@H](C(=O)O)C2 963552366 PULSGYFTSZDCAM-PGRDOPGGSA-N 400.906 4.172 0 1 HIAF Cn1c(NCCc2ccc(-c3ccc(F)cn3)cc2)nc2cc(Cl)ccc2c1=O 1772619021 ZYWUGVYNZAATPU-UHFFFAOYSA-N 408.864 4.443 0 1 HIAF COc1ccc(Cn2cnc3c(N(C)c4ccc(OC)cc4)nc(Cl)nc32)cc1 1857633733 MWTJXQQKDNCWRK-UHFFFAOYSA-N 409.877 4.313 0 1 HIAF CC(C)CCCCCCCC[C@@]1(O)C=C[C@@H]2N(CCCCCNC(=N)N)CCCN21 2356819534 FCOYUTPAQLUJJA-ISKFKSNPSA-N 421.674 4.009 0 1 HIAF CCC(=O)N(Cc1ccco1)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356829583 JAAXLVHYUNKARR-QHCPKHFHSA-N 406.482 4.085 0 1 HIAF COCC1(N(C(=O)[C@@H](C)F)c2ccccc2)CCN(CCc2cccs2)CC1 13676632 JSQPDFXSOMVVSP-GOSISDBHSA-N 404.551 4.163 0 1 HIAF CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCC4CCCCC4)CO[C@@H]23)cc1 25237065 HIWCQNFYRRNAEC-CBPXPLCBSA-N 402.535 4.063 0 1 HIAF biogenic CC1(C)CS(=O)(=O)C2=C1Nc1cc3c(cc1[C@H]2c1cccc(Cl)c1)OCO3 40938989 JWMAZBLMIJBXTN-QGZVFWFLSA-N 403.887 4.292 0 1 HIAF O=C(Nc1ccc(OCCCN2CCOCC2)cc1)Nc1ccc(C(F)(F)F)cc1 43072633 WZFBAJGOZNYFBC-UHFFFAOYSA-N 423.435 4.451 0 1 HIAF O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CC[C@@H](c2cnccn2)C1 49111604 SHGFMISVWSSDPI-LJQANCHMSA-N 422.479 4.476 0 1 HIAF C[S@@](=O)c1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 71341882 WGIPWFWDEXLPAV-NDEPHWFRSA-N 406.592 4.288 0 1 HIAF Oc1ccc([C@@H](c2ccc(O)cc2O)c2cc(Br)c(O)cc2O)cc1 73195754 CNTUMGUCPXXURE-IBGZPJMESA-N 403.228 4.157 0 1 HIAF COc1ccccc1-c1csc(N[C@@H](CCSC)C(=O)NCC(F)(F)F)n1 82195395 DWNPJGREBDZZFJ-LBPRGKRZSA-N 419.494 4.031 0 1 HIAF C[C@@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc21 100393494 KMCCWLYZWXETDV-KXBFYZLASA-N 412.493 4.234 0 1 HIAF COCN1[C@@H](c2ccc(Cl)cc2)CS(=O)(=O)C[C@H]1c1ccc(Cl)cc1 103277484 HZPGUZIFRUXCEC-HDICACEKSA-N 400.327 4.110 0 1 HIAF O=c1cc(-c2ccc(C(F)(F)F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCCNC3 115011446 SDMMKAYRAHWFEX-UHFFFAOYSA-N 424.426 4.435 0 1 HIAF CN1Cc2ccc(NC(=O)N[C@@H]3CC4(CCC4)Oc4ccc(F)cc43)cc2NC1=O 144150184 ZECXWPZWZQOUCA-GOSISDBHSA-N 410.449 4.371 0 1 HIAF CC1CCC(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CC1 261188631 YGEKNWWTPROKJF-UHFFFAOYSA-N 409.523 4.130 0 1 HIAF O=C(O)/C=C/c1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1 586882412 SBYFTKUTXGWUDV-AATRIKPKSA-N 423.064 4.248 0 1 HIAF CCOc1cc(/C=C/c2nc3cc(OC)ncc3[nH]2)cc(Br)c1OC 586977340 FMQUOMRXRJBTKW-AATRIKPKSA-N 404.264 4.307 0 1 HIAF Fc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1-n1cccn1 587127547 WSHFZBDSNDKRQJ-UHFFFAOYSA-N 402.311 4.330 0 1 HIAF CCCOc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1Br 587128131 HBMFXSGTZYRCTC-UHFFFAOYSA-N 423.221 4.157 0 1 HIAF O=S(=O)(Nc1ccsc1-c1nc2ccc(Cl)nc2[nH]1)c1ccc(F)cc1 587170412 PZQRQRIBKCYFDE-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc3c(cc2[nH]1)OCO3 587231897 XKCDMVGFYMGSBV-UHFFFAOYSA-N 416.437 4.181 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605883 BFNBRVOSJORHHC-NZQKXSOJSA-N 408.406 4.188 0 1 HIAF CCOC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc1C 587615277 GIEFJTYDRXCWRK-CVDCTZTESA-N 408.406 4.347 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCNCC2)N1 587798723 VPWJUIXBDPPPAO-QKKBWIMNSA-N 403.339 4.366 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](CC(=O)O)c3ccccc32)N1 587827655 LPEKRZPKEAVLKG-RZZGRXHGSA-N 404.279 4.328 0 1 HIAF c1ccc(CNc2ncc(-c3ccnc(N=c4cc[nH]cc4)n3)c(CC3CC3)n2)cc1 653741151 GRIWQNBAGCYUAH-UHFFFAOYSA-N 409.497 4.059 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@](Cc1cccc(F)c1)(c1cccc(F)c1)NCC2 962930554 YPIZBLVJPOBGML-VWLOTQADSA-N 406.476 4.299 0 1 HIAF COc1cccc([C@]2(c3ncco3)NCCc3c(Cl)cc(Cl)cc32)c1OC 963114210 XTUWNKINAYNWTQ-FQEVSTJZSA-N 405.281 4.436 0 1 HIAF CC(=O)Oc1ccccc1[C@]1(c2cc(F)ccc2F)NCCc2c(C(=O)O)cccc21 963118175 AIIFAHODWMFKAN-XMMPIXPASA-N 423.415 4.026 0 1 HIAF O=C1CCc2ccc(OCCCCCCN3CCN(Cc4ccccc4)CC3)cc2N1 1772654295 OBHNCJRRIPBISW-UHFFFAOYSA-N 421.585 4.328 0 1 HIAF O=C(c1ccc(-c2cnccn2)cc1)N(c1nccc2ccccc12)[C@@H]1CCCNC1 1857637537 JHJYLVCRVKSNJL-OAQYLSRUSA-N 409.493 4.091 0 1 HIAF CC(=C[C@@H]1C=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@@]12OC(=O)[C@@](C)(O)C2=O)CCCc1ccoc1 2356421777 SUPAAFLITZURHL-HAXSZVBKSA-N 412.526 4.403 0 1 HIAF O=C(Nc1ccncc1)c1cc([C@H]2CCCCN2C(=O)CCc2ccccc2)on1 61908299 PJQNAOQKWRNLOP-HXUWFJFHSA-N 404.470 4.008 0 3 HIAF Cn1cc(-c2ccc3c(c2)COCC(=O)N3Cc2ccc(C(F)(F)F)cc2)cn1 205226327 WPCIWNIDHCFQNY-UHFFFAOYSA-N 401.388 4.169 0 3 HIAF CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2[C@@H](C)OC(C)=O)c1C 26003566 BANYVCVZKRCIQR-SUMNFNSASA-N 417.556 4.241 0 1 HIAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-n2cnnn2)cc1 27860133 UHNXRNGVJPQZLT-UHFFFAOYSA-N 422.920 4.062 0 1 HIAF O=c1cc(-c2ccc(Cl)cc2)oc2c(CN3CCOCC3)c3occc3c(O)c12 28712686 XATSMIYRZJFBIO-UHFFFAOYSA-N 411.841 4.397 0 1 HIAF O=C(c1ccc(Cl)cc1)N1CCN(CCCOc2cccc3cccnc23)CC1 43123625 ABSHFIMFTOICCB-UHFFFAOYSA-N 409.917 4.115 0 1 HIAF CC(C)(C)C(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 49034721 BRPYPMTVWYSULV-INIZCTEOSA-N 403.519 4.241 0 1 HIAF COc1ccccc1N(C(=O)[C@H](C)OC)[C@@H]1CCN(CCc2ccccc2)C[C@H]1C 58608840 DGHGOWMPBMIXER-RZUBCFFCSA-N 410.558 4.016 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)N(C)CC(=O)NCCCC)co2)cc1 82073843 AEEGIOVVFCKULW-UHFFFAOYSA-N 415.534 4.289 0 1 HIAF Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cn1)C2=O 96286163 VDLRROZMYVEMMW-UHFFFAOYSA-N 412.537 4.471 0 1 HIAF COc1cccc(-c2[nH]c(C(=O)NC[C@H]3CCCO3)cc3c4ccccc4nc2-3)c1 102434393 KMAREPQCUSHBQE-QGZVFWFLSA-N 401.466 4.252 0 1 HIAF Cc1ccnc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@@H]3C)c1 218497949 YMZRPAMOYRNYTO-GFCCVEGCSA-N 402.285 4.037 0 1 HIAF Fc1cccc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1 226079189 AEVNDEUISXXOIW-UHFFFAOYSA-N 402.477 4.238 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)cc1 586955204 MKXSOKLEVOZPLK-UHFFFAOYSA-N 407.898 4.232 0 1 HIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cs1 587014637 VMEUZFOYSPLOET-UHFFFAOYSA-N 400.291 4.413 0 1 HIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(C(=O)OC)ccnc2[nH]1 587033808 BFPRECJQHVNVAG-CQSZACIVSA-N 408.483 4.230 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Cl)nc(Cl)c4[nH]3)cc12 587038928 VEYRKCPURKKEQT-SSDOTTSWSA-N 409.302 4.012 0 1 HIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 587040138 KPDZRIYYNQMFNZ-QMMMGPOBSA-N 419.732 4.356 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587043669 SRJBSXYLXFFGGV-OAHLLOKOSA-N 422.432 4.263 0 1 HIAF CN1CCN(c2ccc3[nH]c(-c4ccc(-c5ccc(Cl)cc5)nc4O)nc3c2)CC1 587075420 CXTSHGFVJUMVQZ-UHFFFAOYSA-N 419.916 4.403 0 1 HIAF O=C(NCCc1nc2cc(Br)cc(Cl)c2[nH]1)OCc1ccccc1 587228027 DWOCHMCUEHORCQ-UHFFFAOYSA-N 408.683 4.448 0 1 HIAF COC(=O)c1sc2ncc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2c1C 587449548 BJRCCMMRGRCXFS-IVZQSRNASA-N 409.463 4.063 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(O)c2C(=O)c2cccc(O)c21 587475913 BBYDVYAWWHUEGT-VWLOTQADSA-N 416.429 4.209 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(O)ccc(O)c21 587476383 BTEXOKMUWYWHQA-VWLOTQADSA-N 416.429 4.209 0 1 HIAF C[C@]1(c2cn(CCN)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580387 XLZDJLGZUBCCJI-WIOPSUGQSA-N 414.461 4.183 0 1 HIAF COc1ccc(Cn2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1OC 587656255 ICXWCXYRKLHYRC-UHFFFAOYSA-N 408.404 4.407 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC[C@@H]2OCc2ccccc2)N1 587833038 DWAUCIXDXGPSLI-IBZMOEQTSA-N 420.322 4.323 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-n2ccnc2)nn1 587859324 DQARVVFETVXMNE-UHFFFAOYSA-N 401.257 4.221 0 1 HIAF COCCCNc1nc(NC(=O)c2ccc(Cl)cc2C)cc(-c2cccnc2)n1 653739126 ZNWUPEHCAKGJFE-UHFFFAOYSA-N 411.893 4.201 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@]1(CC(=O)C(C)(C)C)C(F)(F)F 961326049 QPXZNRFKSPGVGC-HXUWFJFHSA-N 401.469 4.353 0 1 HIAF COc1ccc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c(OCc2ccccc2)c1 962920007 AFXAJMGJHAPKGI-VWLOTQADSA-N 416.521 4.211 0 1 HIAF N[C@H]1C[C@@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccc(F)cc21 962959996 RKBXKCABFFXHCC-GHTZIAJQSA-N 406.423 4.143 0 1 HIAF C[C@](O)(COc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 1857583719 JJHCNHVCJLEFJQ-INIZCTEOSA-N 423.309 4.373 0 1 HIAF NCCCC[C@H]1CN=C(S)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 15952988 IZVQKFQCXBRPMK-AWEZNQCLSA-N 413.431 4.366 0 3 HIAF COc1ccccc1CN1C(=O)CN(C2CCCCC2)C(=O)[C@H]1c1ccccc1C 3037278 HGTNUIZGCUETGE-XMMPIXPASA-N 406.526 4.248 0 1 HIAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C 3653007 XSYGBVSQKPLETJ-PLACYPQZSA-N 401.453 4.095 0 1 HIAF C[C@@H](O)c1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 9780708 JZCHBJSHYLEUPN-XQAQDONZSA-N 420.391 4.442 0 1 HIAF CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2[C@@H](C)OC(C)=O)c1C 26003572 BANYVCVZKRCIQR-GMYLUUGSSA-N 417.556 4.241 0 1 HIAF CC[C@H](C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1 26840914 WZUXJHOWBDMZJG-AWEZNQCLSA-N 402.438 4.158 0 1 HIAF CC[C@@H](NC(=O)N1C(=O)[C@](C)(CC)[C@@H]1Oc1ccc(CC(=O)O)cc1)c1ccccc1 27083028 HLVJSDZORPZUAH-UCFCWBNQSA-N 424.497 4.138 0 1 HIAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3cccc(Cl)c3)CC1)OCC2 27885937 QIRDDWVQKPPDJG-OAQYLSRUSA-N 416.949 4.183 0 1 HIAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccccc4)c3n2)CC1 40867075 LDIBKYHIAQCKBK-UHFFFAOYSA-N 401.436 4.013 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)c3cc[n+](CCS(=O)(=O)O)cc3CC[C@@H]21 40953087 FVJKDVMYGYXUKD-MQFRRQCYSA-O 406.612 4.308 0 1 HIAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1)CC3=O)C[C@H](C(C)(C)O)O2 59776537 WHZASJDTVMUREZ-VQTJNVASSA-N 424.493 4.387 0 1 HIAF biogenic O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 71330457 LHICBAQTEJXVLI-LVCYWYKZSA-N 404.432 4.393 0 1 HIAF CCCc1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@H]1CCCN1C 82180988 CFMSPLGNDDFUIT-GOSISDBHSA-N 410.541 4.057 0 1 HIAF CC(C)Cc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@@H]3CCCO3)n2)cc1 82193037 KOZBRKSNPMLODS-FPOVZHCZSA-N 413.587 4.273 0 1 HIAF O=S(=O)(c1ccc(F)cc1)c1nc2ccccc2nc1N1CCc2ccccc2C1 84596752 WWQMBVXBZFJIAV-UHFFFAOYSA-N 419.481 4.164 0 1 HIAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc3c(c2)OCO3)cc1)n1ccnc1C 95561638 BPYLYOAGLRACNH-NRFANRHFSA-N 407.470 4.452 0 1 HIAF CC(=O)O[C@@H](c1ccc(Br)cc1)[C@H](Cn1ccnn1)c1ccccc1 96940459 HWIBXSYJGNHKPQ-MOPGFXCFSA-N 400.276 4.129 0 1 HIAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](N1C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C1=O)C2 101678169 YYHKGMNCVMPCGZ-ZWWNWMABSA-N 402.922 4.278 0 1 HIAF C[C@@H]1CCCC[C@H]1COc1cc(F)c(C(=O)NS(=O)(=O)C2CC2)cc1C1CC1 207148663 YMIBCYGHRXUZOT-HIFRSBDPSA-N 409.523 4.130 0 1 HIAF CCC[C@H](O)C1=CC(=C(Br)Br)N(Cc2ccccc2)C1=O 473157113 UBEOMGYQLFRWEL-AWEZNQCLSA-N 415.125 4.075 0 1 HIAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586940837 HOAQGOLUFHYIDA-SREVYHEPSA-N 413.396 4.120 0 1 HIAF Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cs1 587021229 JVGADJCBMFMIHI-UHFFFAOYSA-N 403.261 4.451 0 1 HIAF Fc1ccc(-c2cnn(Cc3nc4c(Br)cnc(Cl)c4[nH]3)c2)cc1 587165357 SAGXYEFWHJTZGN-UHFFFAOYSA-N 406.646 4.425 0 1 HIAF Nc1cccc(C(=O)O)c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587248169 GWNUXPHBWBJBRL-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)cc1O 587410933 AIJYIZNRXAAJQC-BLVKFPJESA-N 405.244 4.051 0 1 HIAF COc1ccccc1N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580450 CJUCQFROCMGUNY-URXFXBBRSA-N 403.434 4.012 0 1 HIAF COc1ccc([C@@]2(CO)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691987 FRDWZYUNXCNFRH-XTZNXHDOSA-N 414.702 4.020 0 1 HIAF CCOc1ccc(OCC)c(-c2nc3cc(I)cnc3[nH]2)c1 587779220 YWLGKDVPMJULLS-UHFFFAOYSA-N 409.227 4.027 0 1 HIAF COc1ccc2[nH]c(O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587800639 BZQGJRVYWIMUBQ-DYBLOJMWSA-N 405.267 4.407 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Br)c(C)n1 587866433 DFDYCEUWEACGQZ-UHFFFAOYSA-N 413.197 4.428 0 1 HIAF Cc1cc2c([nH]1)CC(C)(C)C[C@@]21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962622089 AUOHGSVICUXNDD-JXFKEZNVSA-N 408.420 4.037 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](Cc2cccc(F)c2Cl)(c2ccco2)N1 962903397 ALGCTYVFSLFJBR-HRAATJIYSA-N 403.812 4.296 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@]2(CCC[C@H](C(F)F)C2)N1 962926031 KXOKMTTUFLEHFZ-OSGPJOMKSA-N 403.425 4.434 0 1 HIAF CC(C)N1C=C(C(=O)O)[C@@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2cc(F)ccc21 963093588 AKOSGELISKLCPR-MHECFPHRSA-N 410.464 4.426 0 1 HIAF Cc1noc(C)c1CC(=O)Nc1cc(C(=O)c2cn(C(C)C)c3ccncc23)ccn1 1772573041 NVUBPYXIKLYROK-UHFFFAOYSA-N 417.469 4.029 0 1 HIAF Nc1ncc2ccc(-c3ccc(NC(=S)Nc4ccc5c(c4)OCO5)cc3)cc2n1 1772658151 VXKYLNNGZFWMAC-UHFFFAOYSA-N 415.478 4.417 0 1 HIAF O=C(NCC1CCCCC1)c1cccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)c1 1857543183 XPUBWVQSSMUZKO-RCCKNPSSSA-N 402.494 4.344 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N3CCC3)cc21 1857600461 WVEJMJKICALVDY-UHFFFAOYSA-N 411.505 4.186 0 1 HIAF CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)CCn1c(C3CCNCC3)nc3ccccc31)C2 1857605322 PWPFTAQEROXVSB-CTIGNXTNSA-N 408.590 4.224 0 1 HIAF CC=C(C)C(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@@H]1OC(C)(C)OC1(C)C 2356321833 YMVDDLDKESKNJK-UXHICEINSA-N 416.470 4.282 0 1 HIAF C[C@H](CO)[C@@H]1CC[C@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@@]3(CC[C@@]12C)[C@H]4CCC(=O)C5(C)C 2356465112 ZUDJUVFQGPNIMI-SJYXVMHSSA-N 400.559 4.305 0 1 HIAF C[C@H](NC(=O)N1C(=O)C[C@@]1(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1 26375954 FOSUHQAUDWLEAC-XDHUDOTRSA-N 408.498 4.013 0 1 HIAF CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1ccccc1O 34633685 KJOQLFMPAVEWLJ-NRFANRHFSA-N 405.416 4.368 0 1 HIAF COc1ccc(CCNc2cc(-c3cccc(-c4nc(C)no4)c3)nc(OC)n2)cc1 38268688 AYXXHCUFRBZXMN-UHFFFAOYSA-N 417.469 4.174 0 1 HIAF C[C@H]1S[C@@H](c2ccccc2F)N(c2ccc(Br)cc2C(=O)O)C1=O 38838570 SRWYLFBVQRFDFX-ABKXIKBNSA-N 410.264 4.454 0 1 HIAF C[C@H]1CN(C(=O)c2ccc(-c3ccccn3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 49033807 HDGFLGFRUPHOPP-SFHVURJKSA-N 424.504 4.217 0 1 HIAF NCC(=O)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 58559619 QRCGKZHMDVRFJM-LTFOVQEUSA-N 404.554 4.073 0 1 HIAF C[C@@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 72135077 AZYFXFAFEPHTTK-DNVCBOLYSA-N 415.331 4.115 0 1 HIAF CC(C)CN(C)c1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccc(F)cc2)n1 82140563 JARWMQVCLQYBFQ-UHFFFAOYSA-N 424.495 4.487 0 1 HIAF Cc1ccccc1CNc1ncnc2c1nc(CC(C)C)n2CC[C@H]1CCCN1C 82180351 GNCCPTJNTHXDCV-HXUWFJFHSA-N 406.578 4.430 0 1 HIAF Cc1cc(S(=O)(=O)n2ccc3ccccc32)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175196 CMKMDISZRQHMTR-QFBILLFUSA-N 405.523 4.028 0 1 HIAF O=C(NCCc1ccccc1)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21 96271923 OKGUJMNDVYLPNY-JOCHJYFZSA-N 419.912 4.126 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C 98084505 WNENMRZSIGSSCW-MIQYPEIESA-N 400.607 4.190 0 1 HIAF O=C(c1ccccc1-c1ccco1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 116824997 CJWALWGZPZBUMF-HTAPYJJXSA-N 410.477 4.241 0 1 HIAF c1cc(OCCN2CCCCCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 166880836 WEZQIZOWHBHPOM-UHFFFAOYSA-N 402.502 4.270 0 1 HIAF S=C1N[C@H]2/C(=C/c3ccc(Cl)cc3)CNC[C@H]2[C@H](c2ccc(Cl)cc2)N1 169308434 PZPVJFQTDWDACU-QBYPCSEGSA-N 404.366 4.184 0 1 HIAF Nc1ncnc2c1C(=O)N(c1ccc(-c3cccc(Cl)c3Cl)cc1)CCO2 169324828 JJNRDMNDVUESQQ-UHFFFAOYSA-N 401.253 4.072 0 1 HIAF COc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169696163 KBXXEARFOZLUON-SFTDATJTSA-N 411.523 4.306 0 1 HIAF COc1cc2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)c(=O)oc2cc1O 299855297 AWJATMYHXHOODJ-QPJJXVBHSA-N 405.328 4.178 0 1 HIAF CS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(C(F)(F)F)c4)nc23)cc1 473154044 DRXZOEUGEVVXMA-UHFFFAOYSA-N 417.412 4.486 0 1 HIAF CCOc1n[nH]c(-c2nc3cc(Br)cc(F)c3[nH]2)c1Br 586979614 RRSSPJAZKWWRCU-UHFFFAOYSA-N 404.037 4.016 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cnc(Cl)[nH]c-3n1)N2 587033236 XQRDNCVVPXSCTQ-LLIKBPFYSA-N 406.924 4.085 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(Cl)ncnc3[nH]2)c1 587049514 QKUCAYQPZVSDPR-VOTSOKGWSA-N 419.272 4.050 0 1 HIAF NC(=O)Nc1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1 587243326 JPRBVNJFLSPFJF-UHFFFAOYSA-N 415.169 4.382 0 1 HIAF CCOC(=O)C[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338949 PAYHYIMIOUVRDB-UPVQGACJSA-N 421.424 4.134 0 1 HIAF COCCOCCCc1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1F 587426139 LRBIDLCUABLYOG-NTKDMRAZSA-N 414.473 4.093 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(OCC(=O)O)c(OC)c1)CC2=O 587483586 RHFXRLYNZRSEKB-QHCPKHFHSA-N 414.454 4.087 0 1 HIAF O=C1C[C@@H](c2ncc(I)s2)Oc2c1ccc1c2CCCC1 587501217 BKJIGRVRWOPGRC-ZDUSSCGKSA-N 411.264 4.333 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587592367 YFPQAKFYGGOZHS-AVRDEDQJSA-N 407.422 4.217 0 1 HIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)=O 587600734 POQPZERFSPJRAC-NFBKMPQASA-N 406.390 4.029 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccco3)c(C(=O)C(F)(F)C(F)(F)F)c2c1 587650370 TXWQNOQSSCSQDR-UHFFFAOYSA-N 407.316 4.212 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2ccnc2)(c2ccc(F)cc2)N1 587732767 JPGATIGSDYNXBK-ZUOKHONESA-N 418.285 4.402 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]ccc2=NC(=O)C(C)(C)C)N1 587739563 AXDAGMALYNOSFG-ADLMAVQZSA-N 420.326 4.013 0 1 HIAF C=CN1CCCC[C@H]([C@@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587769123 XCCKVAGWMOLKSV-ZQWRNJAYSA-N 421.354 4.500 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)[nH]c3ccccc23)N1 587792594 PIDAJAQMVISQSW-VVVCHXIZSA-N 403.251 4.391 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(C(=O)O)ccc1OC2(C)C 587828891 AURYZZLVHVXMPY-FVINQWEUSA-N 420.278 4.235 0 1 HIAF CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12c1c(ccc(OC)c1OC)C[C@@H](C)N2C 962623481 KKGDTGQERFFOQG-CVJORQDNSA-N 403.563 4.411 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC[C@H](CNC(=O)OC(C)(C)C)C1)N(C)[C@@H](C)C2 962644543 YOGOSTZBWIAVSZ-PBPSECFOSA-N 404.551 4.100 0 1 HIAF COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(F)cc1Cl 962967561 NSEJOSWOBKHUQO-MLGOLLRUSA-N 406.187 4.108 0 1 HIAF COc1cccc2c3c(cnc12)CCNC31CC2(CC(NC(=O)OC(C)(C)C)C2)C1 963061926 ZMBHHEADMNUFQK-UHFFFAOYSA-N 409.530 4.052 0 1 HIAF O=C1C[C@H](c2ccccc2)c2c(cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O1 2356537731 DLOIFVULVUVTIV-MRXNPFEDSA-N 400.386 4.312 0 1 HIAF CC=C(C)C(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C(C)C 2356655232 CBADSRIBFMZVLJ-WOJBJXKFSA-N 414.454 4.082 0 1 HIAF CCOc1cccc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 11947450 OKWWSMAKODUMGH-HXUWFJFHSA-N 404.514 4.122 0 3 HIAF COC(=O)N1CCCC[C@@H]1c1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)no1 61896843 MKAFJKFIAJLVAT-OAHLLOKOSA-N 412.273 4.205 0 3 HIAF CCOC(=O)c1cccc(C2=C(CNC(C)=O)[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 61921148 KMDYPBHPFUCPMT-WIOPSUGQSA-N 418.537 4.190 0 3 HIAF CC(C)(C)[C@H](N)C(=O)N[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253977296 DKQUQODYLFKBLG-MSBZUHIGSA-N 402.623 4.168 0 3 HIAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCOc2ccccc2)c(OC)c1 2485150 DQWGOMRKGFIWDF-UHFFFAOYSA-N 424.497 4.465 0 1 HIAF C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 14574402 HOFINSHTZPVVKH-NSHDSACASA-N 410.783 4.346 0 1 HIAF C[C@H]1CCCCN1c1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1 27564033 BDPJKPJVWPQNSA-HNNXBMFYSA-N 400.906 4.390 0 1 HIAF COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)/C=C/c3ccccc3)C4)c2c1 28817523 RGARHLWYICZBMA-BESKYLIDSA-N 424.504 4.116 0 1 HIAF CC(C)Cc1c(-c2ccc(OCc3ccccc3)cc2)[nH]c2cc(C(=O)O)nn2c1=O 34820310 SSYXKFDXLZNSCK-UHFFFAOYSA-N 417.465 4.165 0 1 HIAF Brc1cccc(Cn2cc[n+](Cc3cccc(Br)c3)c2)c1 58541250 UCIMUSOEJFKLIG-UHFFFAOYSA-N 407.129 4.397 0 1 HIAF CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 64559300 DUZGZLCGDSTNRQ-UHFFFAOYSA-N 417.912 4.426 0 1 HIAF COc1ccc(CCNc2cc(-c3cccc(-c4cnco4)c3)nc(OC)n2)cc1 66099659 BPCFBUPFVULQSB-UHFFFAOYSA-N 402.454 4.470 0 1 HIAF COc1cc([C@@H]2C(C)=NN(C(C)=O)[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC 72107715 MOTMHIVWTVRVQQ-PMACEKPBSA-N 402.878 4.429 0 1 HIAF Cc1ccccc1S(=O)(=O)Nc1cc(O)nc(SCc2ccc(Cl)cc2)n1 73158858 SYJJEQWZPIPHRJ-UHFFFAOYSA-N 421.931 4.237 0 1 HIAF Fc1cccc(CCNc2ncnc3c2nc(C2CC2)n3CCc2ccccn2)c1 82179732 FIGGRHAJXSEBRW-UHFFFAOYSA-N 402.477 4.135 0 1 HIAF CC(C)=CC(=O)O[C@H]1/C=C/[C@](C)(C/C=C/C(C)(C)O)C/C=C(/CO)CC[C@H]2O[C@]12C 85981647 ISSYTMWXBGIZDF-MSLVPRIHSA-N 418.574 4.404 0 1 HIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 96933402 VHYJJZZCHUGEDB-UHFFFAOYSA-N 405.163 4.316 0 1 HIAF CC(=O)N1C[C@H]2C[C@H]1CN2Cc1cc2ccc(Oc3nc4ncccc4s3)cc2o1 101656281 WWPUOYBBJXOXCR-CVEARBPZSA-N 420.494 4.035 0 1 HIAF CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)Nc3ccc(OC)cc3)cc21 169309859 GAXWVBMFBCTPPD-SSEXGKCCSA-N 420.490 4.094 0 1 HIAF S=C(NCc1ccc(Cl)cc1)N1CCN(c2nsc3ccccc23)CC1 299825052 VHVHXGOJKMMGSV-UHFFFAOYSA-N 402.976 4.146 0 1 HIAF C[C@@H]1CC[C@H]2[C@@H](CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C(=O)O[C@]23[C@H]1CC[C@@]1(C)O[C@H]13 299884263 STFFSDASJHIJJV-VNLOTTPGSA-N 401.591 4.412 0 1 HIAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)nc3)nc3ccc(O)c1c23 586988625 TWBJMYWZTQZRRX-UHFFFAOYSA-N 409.445 4.050 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)C[C@@H]2CCCC[C@@H]21 587026378 LCOUEAGCOPHNIK-SNRMKQJTSA-N 423.538 4.471 0 1 HIAF COc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cn1 587030973 KJAKCGLPPLZDOP-SRMXYGTFSA-N 401.517 4.093 0 1 HIAF Oc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(Cl)c1 587053289 BLBUFESRNCJKDM-UHFFFAOYSA-N 406.010 4.242 0 1 HIAF Cc1cc(Br)cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 587193559 LSAJNCARTUMULM-UHFFFAOYSA-N 416.319 4.153 0 1 HIAF CCOc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344073 BUELIATXJHQRFN-QPPBQGQZSA-N 419.408 4.137 0 1 HIAF COC(=O)[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355224 WWYMBZWCIUIYPL-RDGATRHJSA-N 420.436 4.435 0 1 HIAF CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587391625 NZZSYHCOVUBNFP-JOCHJYFZSA-N 413.481 4.353 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(OC)c(OC)c1)CC2=O 587481778 HOGCAWPXYKMJHH-FQEVSTJZSA-N 408.454 4.459 0 1 HIAF COc1ccc2c(c1OC)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599316 FEPDBIUBRBWQHH-YKSBVNFPSA-N 404.418 4.213 0 1 HIAF CCOc1ccc(-c2nn(C(=O)[C@H](C)OC(C)C)c(=O)c3ccccc23)cc1OCC 587670664 GTWYVDWUIQEOGZ-INIZCTEOSA-N 424.497 4.315 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)(F)C(F)(F)F)N1 587709549 NLZCMHWTZISMRI-WPPNPWJKSA-N 418.175 4.494 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCN(C)C)c2)N1 587743125 VMLKGSQWAVNNEU-XCLFUZPHSA-N 407.327 4.152 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCOCC3)c2)N1 587769426 AYOUQQUBONFLAF-ZUOKHONESA-N 405.311 4.048 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587788914 AOYQXVRRPBIVKH-YYSFKGJASA-N 409.299 4.333 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCC(=O)O)c2)N1 587791357 HRTLAONDXIIRGD-NSPYISDASA-N 408.267 4.065 0 1 HIAF COc1ccc2occ([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587836981 CRJGGAAWKRXKHS-APBUJDDRSA-N 418.262 4.327 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc(N)sc3c2)N1 587857636 MEYDZDKMUVCWJT-NIVTXAMTSA-N 406.324 4.578 0 1 HIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587929852 NEIHLFPSPLHVME-ORAYPTAESA-N 401.260 4.477 0 1 HIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(I)cnc2[nH]1 587930366 OUOUSYZKATWVPZ-SJKOYZFVSA-N 405.239 4.016 0 1 HIAF CCOc1c([C@@H]2c3cc(OC)ccc3CCN2CCCOC)c(C)nn1CC(C)C 961321427 JOHYZRNWSYERAU-QHCPKHFHSA-N 415.578 4.239 0 1 HIAF CCOC(=O)c1cccc([C@H]2CCC[C@@]3(C2)N[C@H](C(=O)O)Cc2cccc(F)c23)c1 962900404 QITQXBBWVKQKDS-WXVUKLJWSA-N 411.473 4.154 0 1 HIAF CCOc1ccc2nc(Cl)c([C@@H]3NCCc4ccc(C(=O)N(C)C)cc43)cc2c1 962939029 YGRVBLZMPVCXPS-OAQYLSRUSA-N 409.917 4.224 0 1 HIAF COc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)CC(C)(C)C)CC2 1772652065 ZTZGUYVSLRIZKP-UHFFFAOYSA-N 413.489 4.449 0 1 HIAF COc1ccc(NC(=O)c2cccc(C3(CNCc4ccc(F)c(F)c4)CC3)c2)cn1 1857593141 XYLGRBAKEJXUNE-UHFFFAOYSA-N 423.463 4.442 0 1 HIAF COC(=O)C1=C(Nc2ccc(OC)cc2)C=C(C)[C@H](C(=O)OC)[C@H]1c1ccc(C)cc1 3623446 JIEKOVLBZONABQ-FCHUYYIVSA-N 421.493 4.376 0 3 HIAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCc1ccc(OC(F)(F)F)cc1 771393 CSZCBLGGJJYWEN-HXUWFJFHSA-N 422.403 4.041 0 1 HIAF CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCC2)[C@@H]1c1cn(C)c2ccccc12 2468767 YTNSPQYPXNHFGZ-PKTZIBPZSA-N 401.510 4.148 0 1 HIAF COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(C)=O)CC(C)(C)O2 2486608 CWYOACPSDRSIPR-JOCHJYFZSA-N 424.541 4.104 0 1 HIAF CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc21 5058550 HJQVOZSSSQIYSV-BEIWTESXSA-N 418.518 4.324 0 1 HIAF CCCOC(=O)c1[nH]c(C(=O)Sc2ccccn2)c(C(=O)OC(C)(C)C)c1C 13533478 IOUAJOBNQUYYBP-UHFFFAOYSA-N 404.488 4.173 0 1 HIAF CC(C)[C@H]1C(=O)N[C@@H](c2ccc(NC(=O)CCCN3CCCC3)cc2)c2ccccc21 33823694 ZNEOVOXIFNNFTO-RPBOFIJWSA-N 419.569 4.460 0 1 HIAF C[C@H]1S[C@H](c2ccccc2F)N(c2ccc(Br)cc2C(=O)O)C1=O 38838572 SRWYLFBVQRFDFX-JDNHERCYSA-N 410.264 4.454 0 1 HIAF COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4ccccc4c32)cc(OC)c1OC 71294946 UULOMMXEMZNCOG-FQEVSTJZSA-N 403.434 4.234 0 1 HIAF C[C@@H](C(N)=O)n1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21 78762708 OECHUCAIFWMWTF-ZETCQYMHSA-N 402.735 4.081 0 1 HIAF Cc1cc(C)n2nc(SCc3nnc(SCc4cccc(F)c4)s3)nc2n1 96928622 NBMFOHWBDUQBJG-UHFFFAOYSA-N 418.548 4.316 0 1 HIAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5ccccc5F)C[C@@H]3N4)cc2)c1 100107604 PDIHLXLTWKYKAJ-UBRQYEGLSA-N 417.484 4.473 0 1 HIAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4cccs4)C[C@@H]32)n1 145703200 GFFAVKDUYBZUHO-PXNSSMCTSA-N 404.539 4.173 0 1 HIAF COc1cc(/C=C/C(=O)N2CC[C@H](n3c(C)cc4ccccc43)C2)cc(OC)c1OC 169348269 YVJOCWMHXQCTIN-XTXLJPNXSA-N 420.509 4.462 0 1 HIAF Cn1c2c(c3ccccc31)CC(=O)N(c1ccc(F)cc1)[C@@H]2C(=O)NC1CCCCC1 299830759 OGUNSHAKUXGQGC-DEOSSOPVSA-N 419.500 4.397 0 1 HIAF CC(=O)c1ccc(OCC(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1 299863952 QMQQSRWQIVHLCN-UHFFFAOYSA-N 411.889 4.088 0 1 HIAF Ic1cccc([C@H]2C[C@H](c3ccccc3)N3NN=NC3=N2)c1 473247730 GLNDSDBWBSURQI-HUUCEWRRSA-N 403.227 4.021 0 1 HIAF c1ccc2c(c1)nc(-c1cscn1)n2Cc1nc2cc3c(cc2[nH]1)OCCCO3 587029239 KVFUCBVCFDYCCF-UHFFFAOYSA-N 403.467 4.246 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc2c1 587088517 NYJSFJKPYKZKLU-JTQLQIEISA-N 414.250 4.252 0 1 HIAF O=S(=O)(O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587124395 WNGMKPMHIJECPU-UHFFFAOYSA-N 418.418 4.142 0 1 HIAF COC(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587185192 ZBYIXJHHXGRKLM-VMPITWQZSA-N 404.207 4.125 0 1 HIAF CN(C)CCOc1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587191144 LENHBCKYFDMQLP-OAQYLSRUSA-N 424.545 4.460 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(N)nc4ccccc34)nc2c1 587253828 LQSDLNWUMLDXJM-UHFFFAOYSA-N 411.259 4.300 0 1 HIAF O=C(c1cncc(-c2cccs2)c1)c1c(CO)oc2cc(Br)cnc12 587275801 GHGYQHWJVVOZLI-UHFFFAOYSA-N 415.268 4.437 0 1 HIAF CCOC(=O)C[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359803 ZUJJTJZXANSCEL-GMAHTHKFSA-N 410.397 4.332 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCN(c4ccccc4)CC3)s1)O2 587412143 HHQOVVIWKMVOCC-HXUWFJFHSA-N 420.538 4.067 0 1 HIAF COc1cc2c3c(c1)O[C@](COc1ccc(C=O)cc1)(c1ccccc1)[C@@H](C2)C3=O 587439174 KFKYUVWRIVZKQX-SQJMNOBHSA-N 400.430 4.230 0 1 HIAF CN(C)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572699 PXTQIISTBHOQMQ-XUZZJYLKSA-N 405.450 4.036 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573424 WMCQVGHLJBYKQF-XUZZJYLKSA-N 422.408 4.342 0 1 HIAF CCOC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C(=O)O)cccc12 587637880 AZBLPEPBRWWHFN-CYBMUJFWSA-N 416.474 4.157 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3cc(F)ccc3c2=O)N1 587731080 JVOGDSKUFSYWQL-NIVTXAMTSA-N 406.226 4.457 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587844301 LGHKGMZNCUADDQ-YYSFKGJASA-N 407.308 4.040 0 1 HIAF COc1ccc(CC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1OC 587862364 LREHYNDQVNIMOY-UHFFFAOYSA-N 420.387 4.478 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)NCc1ccc(Cl)cc1 587868782 SSFMSFRBRMRMII-UHFFFAOYSA-N 410.783 4.384 0 1 HIAF Cc1cccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)c3ccc(F)cc3)c2=O)c1 957653417 HKUCUPSOBFJIGH-UHFFFAOYSA-N 422.481 4.161 0 1 HIAF Cn1cccc1CN1CCc2sccc2[C@@H]1C1(F)CN(C(=O)OC(C)(C)C)C1 962371955 IIWPZQAVTIEWSG-GOSISDBHSA-N 405.539 4.145 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C(=O)O)[nH]c3cc(OC)cc(OC)c23)N1 962949267 FCJZAGFKLJZPQK-AMXDTQDGSA-N 419.481 4.378 0 1 HIAF CC(C)(C)OC(=O)NCC[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962954956 KJZAKZDQZKRVNO-MRXNPFEDSA-N 414.468 4.313 0 1 HIAF Cc1ccnc2c1CCN[C@@]2(c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 963071827 LJOZYPVFQKGOLD-VWLOTQADSA-N 407.558 4.426 0 1 HIAF Cc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)c(C)c1 1857646470 IRHRGOXWUAKECK-UHFFFAOYSA-N 411.483 4.003 0 1 HIAF COc1ccc2c(c1)-c1n[nH]c(/C=C3\C(=O)Nc4ccc(Br)cc43)c1C2 1857772442 QMBQPRJCOSBEEQ-DHDCSXOGSA-N 408.255 4.245 0 1 HIAF C[C@@]12C=C[C@]3(C1)[C@@H](CC2)[C@@]1(C)CCC[C@@](C)(COC(=O)CCC(=O)O)[C@H]1C[C@H]3O 2356576245 SGSLKSWEAHEFTA-JJIMCCFUSA-N 404.547 4.334 0 1 HIAF CC=CC=CC=CC(=O)O[C@@H]1C[C@H](C(=O)O)[C@H](C(=O)O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356849975 PNSRNDBLICHUMY-LWXSJTDASA-N 404.503 4.225 0 1 HIAF C[C@H]1CCCCN1C(=O)c1ccc(CNC(=O)c2cccc(Br)c2)cc1 27502942 DQNAOZIQVDATSB-HNNXBMFYSA-N 415.331 4.394 0 3 HIAF COc1ccc(-c2cc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)on2)cc1 61948865 OSECXSGCMLLWLK-UHFFFAOYSA-N 419.525 4.248 0 3 HIAF O=C(O)CN(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1Cl 3625564 XVJJFSABGWCTBS-UHFFFAOYSA-N 417.086 4.483 0 1 HIAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12)N1CCOCC1 4208520 JBSADFLAADICKH-FYYLOGMGSA-N 420.896 4.444 0 1 HIAF COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccccc3)CC1)OC(C)(C)C2 27899266 IWQCMHLUMLLIKU-QFIPXVFZSA-N 410.558 4.309 0 1 HIAF COc1cc2c(cc1OC)C1(c3ccccc3)CN(C2)Cc2cc(OC)c(OC)cc21 31905988 GPAVWIODZIREBM-UHFFFAOYSA-N 417.505 4.385 0 1 HIAF CN(C)c1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cn2)c1 45386298 OVJMHHWXPGUJHO-UHFFFAOYSA-N 417.440 4.015 0 1 HIAF COc1cc(C(=O)N2c3ccccc3S(=O)c3ccccc32)cc(OC)c1OC 72107193 SQMVQTCMNPONLY-UHFFFAOYSA-N 409.463 4.171 0 1 HIAF Cc1oc(-c2cnc(N3CCC(O)CC3)nc2-c2ccco2)nc1-c1ccccc1 82165874 HDMCBANAXUICEH-UHFFFAOYSA-N 402.454 4.328 0 1 HIAF CCCCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)CO[C@@H](F)[C@]3(O)CC 96934894 BQYQJHYMBOHKPF-RPWUZVMVSA-N 408.473 4.191 0 1 HIAF C[C@H]([C@@H]1C[C@@H]1C(=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 96941738 SPBCVLSZAPVLJN-FFCXNNEJSA-N 404.591 4.334 0 1 HIAF [O-][n+]1cc(Cl)c(C[C@H](O)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1 103258710 QGXYRJFTOQJWBR-HNNXBMFYSA-N 420.239 4.293 0 1 HIAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)N1 115806066 VYEYXSZSUUINMA-OIEGUCRUSA-N 417.553 4.082 0 1 HIAF Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2c(F)cccc2F)cc1N 142602331 RRFKGNBUEHCQIF-UHFFFAOYSA-N 402.348 4.280 0 1 HIAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(OCC(C)(C)O)ccc3Cl)nnc12 145729413 PRNVSRNXZYPTIN-UHFFFAOYSA-N 423.904 4.328 0 1 HIAF COc1ccc2c(c1)c(CC(=O)O)c1n2C[C@H](N(C)c2nc3cc(F)ccc3o2)CC1 203540958 FNLWHUAEBUDTJM-CQSZACIVSA-N 423.444 4.009 0 1 HIAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)C(C)C 586932145 BKJOZNQMQCUDPV-ZDUSSCGKSA-N 422.776 4.395 0 1 HIAF O=S(=O)(c1cc(-c2nc3cccnc3[nH]2)ccc1Cl)N1CCc2ccccc21 586956745 UKBWOEFBTSYETI-UHFFFAOYSA-N 410.886 4.030 0 1 HIAF Clc1c[nH]c2nc(Cc3csc(-c4ccc(Br)s4)n3)nc-2n1 587016633 AEOHLBXUXFZDEG-UHFFFAOYSA-N 412.725 4.496 0 1 HIAF COC(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587024998 DLGGRSGQQCACNI-MNEFBYGVSA-N 423.538 4.486 0 1 HIAF CCOC(=O)C[C@@H](C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097965 PNWJHMDICJEYPM-LJQANCHMSA-N 417.461 4.355 0 1 HIAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331374 BAASRZBNAZBCEI-OJJCTEDXSA-N 421.468 4.402 0 1 HIAF COC(=O)C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339563 YYIBBSHQVUTARX-LADGPHEKSA-N 424.399 4.488 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(c3ccncc3)CC2)[C@H]1c1ccc(F)cc1 587342505 FBYWCXKUCCUTQL-QFIPXVFZSA-N 404.441 4.324 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(=O)O)[nH]c3ccc(Br)cc13)O2 587370549 FZOSDPFUILSDIM-OAHLLOKOSA-N 415.243 4.226 0 1 HIAF COC(=O)c1cncc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587436491 PWLVAAVKCSLYKM-XXBNENTESA-N 401.418 4.033 0 1 HIAF CCOC(=O)C[C@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440410 GURULNBWNCKQCL-CJFMBICVSA-N 402.446 4.445 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(N)sc4c1CCOC4)[C@@H](C2)C3=O 587454571 YUCLTYXYFPHDLE-XDHUDOTRSA-N 419.502 4.103 0 1 HIAF Cc1cc(Br)cc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499694 URNXLHHWZQJNGD-NRFANRHFSA-N 412.283 4.449 0 1 HIAF Cc1cc(Br)cc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499697 URNXLHHWZQJNGD-OAQYLSRUSA-N 412.283 4.449 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)c(F)c1 587556160 VEYREIFLEDDHCN-REWPJTCUSA-N 402.381 4.420 0 1 HIAF Cn1ccnc1[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571357 NFRUBYZERQLAKC-RDPSFJRHSA-N 416.408 4.170 0 1 HIAF O=C(Cn1nc(C(F)F)c(Cl)c1C1CC1)n1ncc2ccc(Cl)cc2c1=O 587651262 GHPDZNVLKIVRNF-UHFFFAOYSA-N 413.211 4.055 0 1 HIAF O=C(CCc1nc2ccccc2[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661880 SPMQDZKCMXSNSY-UHFFFAOYSA-N 412.424 4.352 0 1 HIAF CC(C)Cn1cc([C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587720387 SXNAOUPTDKUFKA-BBATYDOGSA-N 416.285 4.484 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)NC3CC3)cc2)N1 587739607 BPOXZQSZTJKXHF-NSPYISDASA-N 403.295 4.104 0 1 HIAF CO[C@H](C)c1ccc([C@@]2(CN)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587744947 DMJRTTBUWPPQDK-VFGMZZLHSA-N 407.327 4.032 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790924 KGZJTZSSUGTSOX-HOGDKLEQSA-N 409.299 4.283 0 1 HIAF COC(=O)c1[nH]c(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587794402 UQSYNHDNHQDEJP-UGZDLDLSSA-N 409.299 4.117 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)CCC(=O)N3)N1 587798655 UYIVLSCNLMNLRG-GIPWTMENSA-N 403.295 4.271 0 1 HIAF Oc1cc(-c2ccc(F)cc2)c(O)n1-c1cc2cnccc2c(Br)n1 587942236 UMDGJINIGVSMPW-UHFFFAOYSA-N 400.207 4.400 0 1 HIAF CNC(=O)c1cc2c(s1)CCN(c1cccc(-c3nc4ccccc4n3C)c1)C2 653863977 SOTRXWHCJRFALJ-UHFFFAOYSA-N 402.523 4.224 0 1 HIAF CC(=O)c1ccc2c(c1)[C@H](CSC(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962616650 AESUTYZMFXPKGM-ROUUACIJSA-N 407.532 4.318 0 1 HIAF Cc1cc(C)cc(NC(=O)C[C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962760102 CXTFKEYLWRMILQ-WIYYLYMNSA-N 404.432 4.193 0 1 HIAF CCOc1ccc(C(=O)[C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OCC 962767740 QNDMEVRFBUIVGD-VQIMIIECSA-N 421.415 4.054 0 1 HIAF CCCN1C[C@@H]2C[C@H](C1)C21NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833430 VOOODWFAUHJEGY-NJEHHLDASA-N 401.554 4.450 0 1 HIAF CCCCn1ncc2c1CC[C@@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857638547 WPJUJEHPNPQSHY-LJQANCHMSA-N 418.520 4.232 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@H](C)[C@@H]2OC 2356761424 GTLDKOQJGKMQIA-PVUDRZGPSA-N 416.470 4.330 0 1 HIAF COc1ccc(C(=O)N2CCC3(CCCN(Cc4ccccc4OC)C3)CC2)cc1 3955792 HCGICLNCFVUDNZ-UHFFFAOYSA-N 408.542 4.222 0 1 HIAF COC(=O)Nc1ccc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)cc1F 13672877 DKVVZJUCELJXQA-UHFFFAOYSA-N 403.523 4.466 0 1 HIAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2N)c1 29038815 MWDKQJURSWSGMB-UHFFFAOYSA-N 417.581 4.144 0 1 HIAF O=C(Nc1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1)[C@H]1CCCN1 29043542 PPHJGMVOOBKFEI-LJQANCHMSA-N 416.510 4.187 0 1 HIAF COc1ccc(Nc2nccc(NC[C@H](O)c3cccc(C(F)(F)F)c3)n2)cc1 45201160 IAKSAADSRPHSGZ-KRWDZBQOSA-N 404.392 4.393 0 1 HIAF CC(C)(C)NCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181475 VEPUUDZWFHIIQE-CQSZACIVSA-N 423.401 4.284 0 1 HIAF C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)Cc2ccccc2C(N)=N1 96929104 HYYQMCVDWIIXHE-JOCHJYFZSA-N 408.864 4.303 0 1 HIAF Cc1noc(C)c1CCc1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 169307425 XIHQTJMELNFWMX-UHFFFAOYSA-N 424.526 4.472 0 1 HIAF Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(NC(C)(C)C)n2)n1 223443778 ZNGZATVSZFCRER-HOTGVXAUSA-N 416.533 4.042 0 1 HIAF COc1cc2c(cc1O)[C@H]1C[C@@H](C[C@@H]3CCCCN31)OC(=O)C=Cc1ccc(O)c-2c1 254136923 CDTGNBVPXHNHGE-CSODHUTKSA-N 421.493 4.401 0 1 HIAF Cc1cc2c(O)nc(CCCCCN3CCN(Cc4ccccc4)CC3)nc2s1 299868547 RSFCFVOFSOMVAL-UHFFFAOYSA-N 410.587 4.236 0 1 HIAF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586949987 KVNUQDZZEILNCI-UHFFFAOYSA-N 403.813 4.197 0 1 HIAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)nc4[nH]3)CC2)cc1 586955150 LKWZXXTZQJAWCO-UHFFFAOYSA-N 418.950 4.303 0 1 HIAF COC(=O)c1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c1OC 586977853 UHTWBBFRKLKULU-WEVVVXLNSA-N 417.259 4.300 0 1 HIAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(F)c(F)c(F)cc2[nH]1 587000115 MHLBMPZTDYNFDD-UHFFFAOYSA-N 411.133 4.222 0 1 HIAF CC1=C(c2ccc3nc(-c4coc(-c5ccccc5Cl)n4)[nH]c3c2)NNC(=O)C1 587060711 MSKGDVCPPGNUDY-UHFFFAOYSA-N 405.845 4.294 0 1 HIAF Cc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br 587151447 ZPOQRZABFUSZKX-LBPRGKRZSA-N 420.257 4.428 0 1 HIAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587157746 FRWCHGULUQRELH-UHFFFAOYSA-N 423.469 4.099 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C[C@@H](C(=O)O)c3ccccc32)[C@@H]1c1ccc(F)cc1 587349415 FWJKXXKVYHWCTA-MEKIYTOJSA-N 404.393 4.358 0 1 HIAF COc1cc(C)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587353359 YSSLBAYHHXHLSA-YKSBVNFPSA-N 419.408 4.055 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)nc1Br)[C@@H](C2)C3=O 587422700 QCYBQTWRKTYMFV-ZUZCIYMTSA-N 414.177 4.360 0 1 HIAF C=CN1CC[C@@H]([C@]2(c3ccc(OC)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475577 PSMHVOLAWJXPEF-CJFMBICVSA-N 421.493 4.206 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)OC)cc1)(c1cc[nH]c1)CC2=O 587487399 WZTAWWYSBYJEKN-XMMPIXPASA-N 405.450 4.368 0 1 HIAF O=C1C[C@@H](c2c(Br)cnc3nccnc23)Oc2c1ccc1c2CCCC1 587499629 SVCQAXKSTRIGTI-INIZCTEOSA-N 410.271 4.373 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)C[C@@H]2F 587567033 BLPSTJLIWWIZCS-HWBMXIPRSA-N 419.452 4.337 0 1 HIAF C[C@@]1(CC(=O)Nc2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574064 YQOJRVMDPBRYSN-OFNKIYASSA-N 407.397 4.280 0 1 HIAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]1Oc1ccccc1 587600090 KVEJVZSSTYPVGP-RRJCBXKSSA-N 418.445 4.349 0 1 HIAF O=C([C@H]1CCCN(Cc2cccc(Cl)c2)C1)n1ncc2ccc(Cl)cc2c1=O 587651661 NQAOJGJSZDVJNU-INIZCTEOSA-N 416.308 4.256 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccn2)N1 587676701 FMAIFFFAHOOGME-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2Br)N1 587685554 RIQHFBDFLGMKEY-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3cccc(Cl)c3)n2)N1 587702290 PAVCTNKRJZTEIW-MLCYQJTMSA-N 421.701 4.446 0 1 HIAF COc1ccccc1-n1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587761167 STOMVEKKAOVOOI-FKIZINRSSA-N 416.294 4.406 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587774073 LXMOAHHLTNZHQK-IPJQRFBASA-N 411.315 4.101 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)OCc3ccccc3)C2)N1 587801140 IXTSNCBECKRJEV-ONNZTUKZSA-N 418.306 4.471 0 1 HIAF COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587805264 FEQGCHPCDAEQKR-MGNBDDOMSA-N 408.267 4.007 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c(C(=O)O)csc32)N1 587853700 AXWYGFSCJMXIGX-NIVTXAMTSA-N 410.308 4.462 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(-c2ccccn2)s1 587863535 BFACZGDQGUHJHE-UHFFFAOYSA-N 403.389 4.480 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)nc2c1c(C)nn2CC 587872380 KRSBTZNEAYROAQ-UHFFFAOYSA-N 407.449 4.158 0 1 HIAF Cc1cnc(-c2nc(C(=O)NCCCCC(=O)C(F)(F)F)c(C3CC3)s2)s1 653706688 GJSCCYDUKNGSLB-UHFFFAOYSA-N 417.478 4.484 0 1 HIAF CC(C)(C)OC(=O)N[C@H]([C@@H]1CCCOC1)[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963107137 WTXZAASXQPGUNY-NSGGIEJNSA-N 404.526 4.207 0 1 HIAF CC(=O)Oc1ccccc1[C@]1(c2cc(F)c(F)c(F)c2)NCCc2ccc(O)cc21 963340812 IKNLIJJKVSRSIK-QHCPKHFHSA-N 413.395 4.172 0 1 HIAF COc1ccc(CCn2nnc3c2CCN(c2ccc(C(F)(F)F)cc2)C3)cc1 1857649349 ZGCXDGBPYIWHPW-UHFFFAOYSA-N 402.420 4.111 0 1 HIAF CCNC(=O)c1ccc(-c2c(C)nc3c(OCc4ccccc4F)cccn23)cn1 1911579210 MSSMVJBAOIQCHO-UHFFFAOYSA-N 404.445 4.173 0 1 HIAF C[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@H]1OS(=O)(=O)O 2356552763 BJLIZEUOFAZAFA-KLEWCUPXSA-N 400.581 4.214 0 1 HIAF CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3C(=O)C[C@H](C)[C@@H]3[C@@H]2[C@]2(C)CC[C@H](C(C)(C)OC(C)=O)[C@H]12 2356802518 SIIJXSSKYAUOMC-IMELVLGTSA-N 404.547 4.173 0 1 HIAF CCCCC(=O)N(Cc1ccco1)[C@@H](C(=O)NCc1ccccc1)c1cccnc1 2356808817 AKLKAYJWWGJZPO-HSZRJFAPSA-N 405.498 4.251 0 1 HIAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F)N1CCOCC1 4208536 JTDPTQRHMFDLDJ-IEBWSBKVSA-N 423.271 4.083 0 1 HIAF Cc1ccccc1-c1nc(CN2CCC[C@@H](C(=O)NCCCOC(C)C)C2)c(C)o1 5055819 OFCGVFKKGAQHMS-HXUWFJFHSA-N 413.562 4.102 0 1 HIAF Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1C 13732885 GTEAALAUDHLJLZ-QHCPKHFHSA-N 412.493 4.265 0 1 HIAF CC1(C)C=C(n2ccccc2=O)c2cc(OCC(=O)c3ccc(F)cc3)ccc2O1 13795414 LTQJYCJQYBOUJD-UHFFFAOYSA-N 405.425 4.309 0 1 HIAF CCN1CCN(C(=O)CCCc2cn(Cc3ccc(F)cc3)c3ccccc23)CC1 15676927 HSFKOKGQKWNQFS-UHFFFAOYSA-N 407.533 4.316 0 1 HIAF CCCCc1c(OCC(=O)OCC(C)C)c2cccnc2n(-c2ccccc2)c1=O 26187978 UNZAHVRXZLTJOS-UHFFFAOYSA-N 408.498 4.306 0 1 HIAF Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@H]3C[C@H]3CO)sc2c1 26276929 BZYZDQJLCCLWKI-STQMWFEESA-N 415.902 4.077 0 1 HIAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@@]4(C)[C@@H]3CC[C@]12C 26387556 SLZJMEMEWDUTRZ-FGXQUKBJSA-N 403.611 4.127 0 1 HIAF CCCOC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 29044209 CIPHZNQEIMSGOJ-SNVBAGLBSA-N 424.341 4.103 0 1 HIAF CCC[C@H](CC1(C(=O)N(C)c2ccc(=O)n(Cc3ccccc3)c2)CCCC1)C(=O)O 40565524 JUANZNOPGNGJMD-HXUWFJFHSA-N 424.541 4.311 0 1 HIAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(Cl)c1 45314589 MXCSBIZVKBOAQU-KZULUSFZSA-N 415.839 4.400 0 1 HIAF O=C1OC2(CCC(CNc3ccc(OC4CCC4)cn3)CC2)CN1c1ccccn1 64548404 IGIUYEPAZUBOQL-UHFFFAOYSA-N 408.502 4.406 0 1 HIAF COc1cccc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3OC)cc2)c1 100106956 WXJJIZHKJLMRAY-OCYIUTNCSA-N 400.522 4.311 0 1 HIAF CCCC1=Nc2ncnn2[C@H](c2cc(Br)ccc2OC)/C1=C(/O)OCC 103539557 YIZCZJMKBZXRBR-CFBLSMTOSA-N 421.295 4.331 0 1 HIAF CC1(C)C(=O)Nc2cc(Nc3ncnc4c3CN(c3ncccc3Cl)CC4)ccc21 147927027 NBTGVWLZXXCVIL-UHFFFAOYSA-N 420.904 4.061 0 1 HIAF CN1CCN(C[C@H](O)c2cc(-c3ccccc3)nc3c(Cl)cc(Cl)cc23)CC1 169334769 XRRVLLARYXCLEF-NRFANRHFSA-N 416.352 4.489 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4c(F)cccc4Cl)ncc23)ccn1 219753321 HNTQSCRKMCUNSS-UHFFFAOYSA-N 410.840 4.443 0 1 HIAF CC(C)[C@H](CN1CC[C@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)Cc1ccc(O)cc1 253638091 MGGUOWHPOJLMQU-YLORPAJWSA-N 424.585 4.081 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587048510 HZOHZHMKVTXGMQ-GHMZBOCLSA-N 410.326 4.391 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@H](CN)Cc3ccc(Cl)cc3)nc2c1 587069328 IUANHVVNULHJKO-LBPRGKRZSA-N 422.710 4.050 0 1 HIAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587159555 RPDIPXZFPJSNQJ-UHFFFAOYSA-N 412.442 4.215 0 1 HIAF CC(=O)N[C@@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(C)cc1 587207408 SNWOFMOLEUFRMW-ZDUSSCGKSA-N 407.699 4.102 0 1 HIAF CN(C)/C=C/[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331058 ADQOCLHOAVHFCW-LGRGTOJPSA-N 404.441 4.256 0 1 HIAF C[C@@]1(c2cccc3nc(N)oc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333954 JFPWXKYUUNLUBV-XXBNENTESA-N 404.397 4.529 0 1 HIAF COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403466 MKDPPKDSRHVDFN-LOSJGSFVSA-N 419.477 4.189 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCC(C(F)(F)F)CC4)s1)[C@@H](C2)C3=O 587422646 PNMFSRNSECVCGH-SCLBCKFNSA-N 424.444 4.419 0 1 HIAF C[C@@]1(c2cccnc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550115 ZTWWJIYXZMKBGP-JXFKEZNVSA-N 412.239 4.427 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Br)cc1F 587569678 SBAUILKVMDBHGJ-KXBFYZLASA-N 416.202 4.392 0 1 HIAF O=C(NCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCc1ccccc1 587573107 RPOFUPCZSJWLHN-PZJWPPBQSA-N 419.433 4.039 0 1 HIAF CCN(CC)c1ccc(-c2nn([C@@H]3CCCC[C@H]3O)c(=O)c3ccccc23)c(O)c1 587666003 WSURXEFSXPTYCE-NHCUHLMSSA-N 407.514 4.091 0 1 HIAF CCOc1ccc(-c2nn(C(=O)c3ccoc3)c(=O)c3ccccc23)cc1OCC 587668574 DHCLRTUWJGUZJT-UHFFFAOYSA-N 404.422 4.142 0 1 HIAF CCn1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C(F)(F)F 587714933 PYDRWPYDXPTZQT-XLKFXECMSA-N 406.221 4.447 0 1 HIAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN(C)C 587741832 PGPDBZSXFVMDDO-YUNKPMOVSA-N 407.327 4.282 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnccn2)(c2ccccc2)N1 587774142 LQPRBVJCKPLHAR-QKKBWIMNSA-N 412.306 4.399 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cnccc12 587780271 ZRNXQEUOUYNXDB-AMXDTQDGSA-N 423.285 4.354 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)sc(=O)n3C)N1 587858011 WXOVJWOHXOIWIP-XYZCENFISA-N 407.308 4.125 0 1 HIAF CC(C)(C)OC(=O)[C@]1(C2=COCCC2)NC2(CC2)Cc2ccc(Br)cc21 961617678 VHUIHARPDCOVFY-OAQYLSRUSA-N 420.347 4.359 0 1 HIAF COc1cc2c(cc1OC)[C@@]1([C@H]3CC[C@@H]1CN(C(=O)OC(C)(C)C)C3)N(C)[C@H](C)C2 962559408 BWAFXWWNSLOHOF-XWFIKDQWSA-N 416.562 4.052 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(F)cc2F)C(=O)OC)cc1 1772574433 JPGRXCXCYRVCPJ-OYHNWAKOSA-N 419.468 4.353 0 1 HIAF Cc1csc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)c(-c3ccccc3)c(=O)n12 1857567550 GGFMIRIKNCYXKE-CYBMUJFWSA-N 402.483 4.176 0 1 HIAF CC(C)[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cc1 1911575166 CRSCZCYSOOZATQ-GOSISDBHSA-N 405.292 4.296 0 1 HIAF O=C(N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2o1 13601789 GGSIMJVXOSAEBI-QFIPXVFZSA-N 413.408 4.118 0 1 HIAF CCN(CC)c1ccccc1C[S@](=O)c1nc2c(n1-c1ncccc1C)CCC2 13746330 FBHPTKWZMCNXPK-GDLZYMKVSA-N 408.571 4.218 0 1 HIAF CC(=O)c1cnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn2c1C 13861610 XJUPCDUQJMKHMO-UHFFFAOYSA-N 423.469 4.117 0 1 HIAF CC(=O)O[C@H]1[C@H](OC(C)=O)c2c(ccc3c2O[C@H](c2ccccc2)CC3=O)OC1(C)C 14723009 MIUNHNXJASJSIX-PMOQBDJRSA-N 424.449 4.100 0 1 HIAF biogenic CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1cccc(Cl)c1 29130164 RGPYWCVMPLKNBH-UHFFFAOYSA-N 415.965 4.408 0 1 HIAF COc1ccc(CN2CCN([C@@H](c3ccccc3)[C@H](O)c3ccccc3)CC2)cc1 39238982 LYTUIICOBLXIQR-IZZNHLLZSA-N 402.538 4.288 0 1 HIAF O=C1CC[C@](c2ccccc2)(C2CCN(Cc3ccc(Cl)c(F)c3)CC2)C(=O)N1 40430601 LSWCBBNEHRUABL-QHCPKHFHSA-N 414.908 4.066 0 1 HIAF CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CCCc3ccccc3)CC2)O1 72114451 OVUNMFUBVWFDGZ-VWLOTQADSA-N 417.553 4.341 0 1 HIAF COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Cl)s2)cs1 82195936 CXQDJSDRVFCSOL-NSHDSACASA-N 420.025 4.211 0 1 HIAF CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCC2)[C@@H]1CO 95878244 VPPSXNQJMZMNKY-FGCOXFRFSA-N 405.542 4.180 0 1 HIAF FCCN1CCC(F)(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1 96175097 YUOMNHIIJUOCOA-UHFFFAOYSA-N 423.467 4.097 0 1 HIAF C[C@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5cc(Cl)ccc5[nH]4)cc3n21 117696884 XVXFGPGPMWYPAS-NSHDSACASA-N 407.861 4.118 0 1 HIAF Cc1nc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)cs1 145061327 MPUNRENYBDJLLS-CHWSQXEVSA-N 405.474 4.296 0 1 HIAF COC(=O)/C1=C\C=C(/C(C)C)CCC2=CCC[C@](C)(OC2=O)[C@@H](OC(C)=O)CC1 169292448 GCDVQIVAHBRSQZ-GEGGQHEWSA-N 404.503 4.196 0 1 HIAF COc1cc([Si](C)(C)c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 210382366 XYSYSBNTBDGAGT-UHFFFAOYSA-N 408.570 4.114 0 1 HIAF C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473099813 HQCZMAMHDUZIQK-LLVKDONJSA-N 404.804 4.010 0 1 HIAF Oc1ccccc1C1(c2nc3c(Br)cnc(Br)c3[nH]2)CC1 586897210 UXMJQWFSFONXNS-UHFFFAOYSA-N 409.081 4.268 0 1 HIAF COc1cc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2cc1C 586983681 BHUSHKVJSORZTJ-KRWDZBQOSA-N 402.292 4.062 0 1 HIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCN(C(=O)c1ccccc1)CC3 586987771 FSFIAUJRELIVSK-UHFFFAOYSA-N 420.468 4.393 0 1 HIAF Brc1cncc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587029129 IJAPCYCBRSYZPE-UHFFFAOYSA-N 411.288 4.242 0 1 HIAF O=c1ccc(-c2nc3ccc(CO)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587053234 BNCJMKXGBKURSS-UHFFFAOYSA-N 400.265 4.239 0 1 HIAF NC(=O)c1cccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587068621 WCUHHYJUCBSSGE-UHFFFAOYSA-N 403.829 4.428 0 1 HIAF COCCn1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587345508 ZVYXYEHMWIOZPX-LADGPHEKSA-N 424.472 4.265 0 1 HIAF CCOC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1C(=O)OC(C)(C)C 587390223 LIJIIUNLYAHCOF-SFHVURJKSA-N 414.458 4.045 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3ccc(Cl)cc32)N1 587703759 ZUMBOLBEIINPQI-DYBLOJMWSA-N 410.670 4.329 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(F)cc(Cl)c12 587734934 SRNBOSYPMYBQFK-GJEGPGMTSA-N 413.649 4.111 0 1 HIAF CC(=O)NCCc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587753528 HMNQWPOLDOCWEN-ZSEKCTLFSA-N 419.338 4.065 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587792614 PPMXDTHTCBCWIA-MLCYQJTMSA-N 417.278 4.480 0 1 HIAF COC(=O)[C@H](C)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811246 WCAYUDNNWBGTFV-KQHSUYLTSA-N 406.295 4.175 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)NC(=O)OC(C)(C)C 587862360 LKIWIXGWICTRBY-NSHDSACASA-N 413.396 4.131 0 1 HIAF Cc1cc(C)cc([C@@]2(c3ccc(CN4CC=CC4)cc3)c3c(cnn3C)CCN2C)c1 963953556 BAHIIYGKPBCOEB-MHZLTWQESA-N 412.581 4.189 0 1 HIAF Cc1nc2n(c(=O)c1CCN1CCC(c3cccc4sccc34)CC1)CCC[C@H]2O 1772588238 YYHRMWYQOMFFHW-OAQYLSRUSA-N 423.582 4.016 0 1 HIAF COc1cc2c(cc1OC)CN(CCCOc1ccc3c(C)c(C)c(=O)oc3c1)CC2 1857594651 GWSRBMJZRDYLBB-UHFFFAOYSA-N 423.509 4.254 0 1 HIAF CC(=O)Nc1sc2c(c1-c1nc3ccc(-c4cnn(C)c4)cc3s1)CCNC2 1857597016 GMRCVFPFFQYWMS-UHFFFAOYSA-N 409.540 4.029 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C(C(=O)O)[C@@H](C[C@@H](OC(C)=O)[C@H]12)C3 2356424037 ONGLJJBMKPIZJW-BHPOKLPFSA-N 418.530 4.125 0 1 HIAF 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@@]1(O)CCCCO 2356689283 DJVDLKHAJBHWLE-UYIMZLOASA-N 418.618 4.422 0 1 HIAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@@H](COC(=O)CCC(=O)O)[C@@]2(C)CCc1ccoc1 2356756826 SENGMOFNXGYJSV-OIJOUKJNSA-N 418.530 4.370 0 1 HIAF CC=CC(=O)N(Cc1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 2356852985 QVFHXBLHMAHZQG-QHCPKHFHSA-N 410.514 4.383 0 1 HIAF CC(=O)Nc1ccc(CN2C(=O)C(C)(C)ON=C2c2ccc(C(F)(F)F)cc2)cc1 61904677 ANQOQYGXHNHTAO-UHFFFAOYSA-N 419.403 4.163 0 3 HIAF COC(=O)c1cccc(-c2ccc3c(c2)N(Cc2cccc(OC)c2)C(=O)COC3)c1 205232031 CSIADXKZDOYDKY-UHFFFAOYSA-N 417.461 4.212 0 3 HIAF CCC[C@H]1[C@@H](NC(=O)c2cccc(N(C)C)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712223 FVKWWBMEMYVZNO-HXKBJWFLSA-N 411.590 4.222 0 3 HIAF CCCN1CC(=O)N2[C@@H](c3cccc4ccccc34)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15953812 BZIULAGLCSWNGD-BVAGGSTKSA-N 423.516 4.416 0 1 HIAF biogenic COC(=O)[C@H](Cc1ccccc1)n1nnc(-c2ccccc2)c1C#Cc1ccccc1 38192244 RHWULTNESVSLBT-DEOSSOPVSA-N 407.473 4.302 0 1 HIAF CCN(C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1 40566162 ZXPSJDOWBKNEAW-VGSWGCGISA-N 409.530 4.456 0 1 HIAF COc1ccc([C@@H]2C3=C(COC3=O)Nc3onc(-c4ccc(Cl)cc4)c32)cc1O 71319218 AQCKEGOIHCCDSJ-MRXNPFEDSA-N 410.813 4.078 0 1 HIAF Clc1cccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@@H]2CCCO2)c1 82181206 ILTAOIHSKHNRSX-SFHVURJKSA-N 420.904 4.333 0 1 HIAF COc1ccc(CNC[C@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)cc1O 95557667 FCGJGYHKBXZYTJ-JKXTWKSPSA-N 411.498 4.033 0 1 HIAF O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95875767 NPXWAHHKOIONJD-GVAUOCQISA-N 422.544 4.044 0 1 HIAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@H]1c1cccc(C(F)(F)F)c1 203532395 ODVOAJCAFSXIAS-QUCCMNQESA-N 408.372 4.104 0 1 HIAF Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)c4cn[nH]c4n3)cc2)c1 299820447 BLKGECPROMXKRG-UHFFFAOYSA-N 423.473 4.146 0 1 HIAF Cc1ccc(NC(=O)CSCCc2nc3c(C)c(Br)cnc3[nH]2)cc1 586971350 UXHXBJDRMTVNRI-UHFFFAOYSA-N 419.348 4.252 0 1 HIAF CC(=O)Nc1ccc(Cl)c(-c2nc3cccc(I)c3[nH]2)c1 587048867 BSWYKNLLFLDHSU-UHFFFAOYSA-N 411.630 4.446 0 1 HIAF Clc1cccc(COc2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2)c1 587071584 PKWMGULYSIXFHU-UHFFFAOYSA-N 402.845 4.438 0 1 HIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 587337930 WGCVWSVUFFGAGX-SIKLNZKXSA-N 414.335 4.149 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(C)C)([C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C1)O2 587409499 VXJJLKZSWBBAPJ-ICQFYHOOSA-N 415.530 4.424 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4cc(Br)ccc41)[C@@H](C2)C3=O 587416676 FCJVJCZMUQUIDL-MGPUTAFESA-N 401.256 4.273 0 1 HIAF Cc1cc(Cl)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587551991 MAEOEFKYMVZYTC-HTAPYJJXSA-N 407.809 4.163 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cnc1F 587569870 NAWVKLZEXFQZSM-MAUKXSAKSA-N 416.202 4.392 0 1 HIAF CCn1cc([C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587713483 DCKSPAVWODNHOA-XYZCENFISA-N 402.258 4.156 0 1 HIAF CO[C@H](C)c1ccc([C@@]2(CN)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587744945 DMJRTTBUWPPQDK-MRRFBWAASA-N 407.327 4.032 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CN(C(=O)OC(C)(C)C)C2)N1 587758189 BWZMZKZUIKLPQR-DIFFPNOSSA-N 413.331 4.421 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C(=O)OC(C)(C)C)CC2)N1 587771222 WCXKVSAIRFVOHZ-BUXKBTBVSA-N 411.315 4.472 0 1 HIAF CC(=O)OC[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789687 DGGDWXCAJBVZCO-RNODOKPDSA-N 406.295 4.238 0 1 HIAF COC(=O)c1ccc(OC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587805487 GDWOSXDDGGWGSG-MGNBDDOMSA-N 408.267 4.007 0 1 HIAF COc1cccc([C@]2(CC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587809953 SBCKOHCCFFMVQX-YUNKPMOVSA-N 406.295 4.354 0 1 HIAF COc1ccc([C@]2(CC(F)(F)F)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963231558 NDKCQRXOAIHWEL-CTNGQTDRSA-N 416.399 4.038 0 1 HIAF Cc1ccc(CN2CC[C@@H](N3CC[C@@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F 1772577312 PUIRTODRPCIZAD-PZJWPPBQSA-N 418.459 4.065 0 1 HIAF Cc1ocnc1C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 1857539164 FEKPDECDXWGQQN-UHFFFAOYSA-N 400.360 4.074 0 1 HIAF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)CS[C@@H]1c1ccccc1 1857569271 RTFHOVIYSULDBM-OAHLLOKOSA-N 404.904 4.260 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccc(Cl)c2)cc1 61948687 TWYIUSCDJDRVOY-NRFANRHFSA-N 411.914 4.343 0 3 HIAF COC1=C(Cl)C(=O)[C@@]2(Oc3cc(OC)c(Cl)c(C)c3C2=O)C(C)=C1Cl 3978949 DDXASNOQYJDVLY-QGZVFWFLSA-N 403.645 4.163 0 1 HIAF biogenic Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3cccc(c23)C1=O 13588629 JFSIFNLPOZYJPS-UHFFFAOYSA-N 401.466 4.217 0 1 HIAF Nc1ccccc1N1CCN(CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 14976007 BNPJDUXHACQLJK-XMMPIXPASA-N 420.601 4.145 0 1 HIAF CCN(C(=O)Cc1ccccc1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 19711978 AUBAZJFDIKCSPV-BJKOFHAPSA-N 401.510 4.455 0 1 HIAF CCCCN1N=C(CCC)[C@@H](Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O 26576489 WOAJGWCTSVFSPA-OAQYLSRUSA-N 416.529 4.491 0 1 HIAF O[C@H]1CCCC[C@H]1N1CCC(CCCC2CCN([C@H]3CCCC[C@H]3O)CC2)CC1 28238029 OTKJKWJZVZDXKV-UCDDGIFISA-N 406.655 4.188 0 1 HIAF O=C1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1CCc1ccccc1 28761344 FSIQRBJMYGKWAJ-UHFFFAOYSA-N 403.526 4.240 0 1 HIAF COc1cc(C(=O)O)ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCC3)cc12 29471953 JSWCCMIJFXNTGD-UHFFFAOYSA-N 421.497 4.390 0 1 HIAF CN1C(=O)[C@@H](Cc2ccc(-c3cccc(O)c3)cc2)NC(=O)c2cc(Cl)ccc21 40762649 BCEJTSRDTVUVRS-HXUWFJFHSA-N 406.869 4.030 0 1 HIAF Cc1cc(OCCCN2CC[C@H](N(C)C)C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49034916 OWQWPXCWDHUFEH-SFHVURJKSA-N 410.537 4.391 0 1 HIAF O[C@H](COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 49090066 XSVDIPPEZOQKGV-NRFANRHFSA-N 415.537 4.411 0 1 HIAF COc1cc(Cl)ccc1-c1ccn(-c2ccc3c4c(n(C)c3c2)CNCC4)c(=O)c1 64235761 SYZYDHWXXSUGKA-UHFFFAOYSA-N 419.912 4.304 0 1 HIAF COc1cc2c(Nc3ccccc3F)c(C(N)=O)cnc2cc1-c1c(C)noc1C 84634126 ULNHSRPVGJEURD-UHFFFAOYSA-N 406.417 4.497 0 1 HIAF Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)c1C 84690101 WWUBGNUUHUQEAI-UHFFFAOYSA-N 422.413 4.014 0 1 HIAF O=C(Nc1csc(-c2ccncc2)n1)[C@H](Cc1ccccc1)NCc1cncs1 96284447 ZEHWFHHGJCAKMI-SFHVURJKSA-N 421.551 4.001 0 1 HIAF Cc1ccn2c(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cnc2c1 113699232 AGXPZHGTABSWBG-UHFFFAOYSA-N 416.865 4.298 0 1 HIAF Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3)c2)c2cc(F)ccc2n1CC(=O)O 117015499 HUTFUUOKWMTRRX-UHFFFAOYSA-N 422.431 4.113 0 1 HIAF O=C(N[C@@H]1COCC[C@H]1NC1CCCCC1)c1ccc(C(F)(F)F)cc1C1CC1 118615736 FOKCTZHJZFZIBY-WOJBJXKFSA-N 410.480 4.392 0 1 HIAF O=c1[nH]nc2c3c(cccc13)N[C@@H](c1ccc(CN3CCC3)cc1)[C@H]2c1ccccc1 118766925 DDDWCXKAHSQDHC-VWNXMTODSA-N 408.505 4.428 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCN(S(C)(=O)=O)CC[C@]34C)C1=CC=C2n1ccnc1 144152110 KJAKPYLKEFJHIM-WBZBWJJNSA-N 415.603 4.168 0 1 HIAF O=C(O)Cn1cc(-c2cc(Cl)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144875215 UBYZUQPUPCFGBQ-SFHVURJKSA-N 408.763 4.067 0 1 HIAF Fc1cccc2sc(N[C@H]3C[C@H](Oc4nccnc4C4CCOCC4)C3)nc12 146987343 KPNVMKSCNLFPRS-OKILXGFUSA-N 400.479 4.141 0 1 HIAF O=C(Nc1cccc([C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1)Nc1ccccn1 169011762 SLROIDVEJFGPDR-KRWDZBQOSA-N 413.485 4.381 0 1 HIAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@]23[C@@H]4[C@H]5C[C@@H]6[C@@H]4[C@]4(OCCCN42)[C@@H]2[C@H]6[C@@H]5[C@H]23)cc1 253651403 RQXVHLUYOBCSQY-NSWIVKLGSA-N 419.565 4.048 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345289 IOMNKQQSBJOTBK-HYBUGGRVSA-N 421.424 4.457 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)N3CCCc4cccc2c43)[C@H]1c1ccc(F)cc1 587349272 UDQKAXRKTLSFJR-SQJMNOBHSA-N 415.420 4.079 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)c(C)nn1[C@H]1CCCCO1)O2 587377639 OHPURAPFQLJZEC-JKSUJKDBSA-N 420.307 4.250 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1NC(=O)OCC(F)(F)F)[C@@H](C2)C3=O 587419514 GNLGSHBYLVXRRL-VBKZILBWSA-N 421.371 4.469 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CC2=O 587474864 KLPWYGFTSGFTEL-YJUYQMCSSA-N 401.503 4.182 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)ccc(O)c12 587531477 GOSLUHGAJPRFTP-AREMUKBSSA-N 412.441 4.430 0 1 HIAF Cc1noc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587585305 DAKAVFNJSPKCHQ-UGKGYDQZSA-N 400.390 4.454 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614016 BFNBRVOSJORHHC-OFNKIYASSA-N 408.406 4.188 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Br)c2)N1 587679856 HHFWNNTYNTWGLQ-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(C(F)F)N1 587714733 ALUUAXGJNKIUBG-XYZCENFISA-N 402.210 4.449 0 1 HIAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2oc(N)nc2c1 587747975 TVDWQYHCIJWOBC-DGIBIBHMSA-N 404.283 4.418 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)NC(=O)OC(C)(C)C)N1 587753553 HOLGKYGJFVMSBD-BONVTDFDSA-N 401.320 4.467 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587796754 VCUBIJHLKZRSHC-SYTFOFBDSA-N 422.294 4.152 0 1 HIAF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587805369 UBHHPHKDYLIBDS-CFMSYZGJSA-N 417.278 4.240 0 1 HIAF O=C(O)/C=C/C=C/c1nc2c(C(=O)Nc3ccc(C(F)(F)F)cc3)cccc2[nH]1 587969143 RFPVIMPZJFJDCO-LWBLAMGCSA-N 401.344 4.488 0 1 HIAF O=C([C@H]1Cc2ccccc2[C@@H](c2cc(F)c(Br)cc2F)N1)C(F)(F)F 962729207 HCPLMXBBDYZOQW-CABCVRRESA-N 420.175 4.462 0 1 HIAF Cc1ccc([C@@]2(Cc3ccncc3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963227071 MEXLCXMTZBFFQX-AZGAKELHSA-N 409.489 4.023 0 1 HIAF Cc1c(O)ccc2c1[C@@](C(=O)c1ccccc1)(c1ccc(Cl)cc1)N[C@H](C(=O)O)C2 963488864 GIUANFZNEIKSRB-YADARESESA-N 421.880 4.079 0 1 HIAF COc1c(OCCCF)ccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772588460 UEPCJZIHXFLJET-KRWDZBQOSA-N 414.521 4.189 0 1 HIAF O=c1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)sc2ccc(Cl)cc12 1772643996 SKARATQJVMFXMM-UHFFFAOYSA-N 406.338 4.286 0 1 HIAF CC(=CC[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@@H]2OC(=O)[C@]3(C)CCC[C@]1(C)[C@@H]23 2356523625 YSJDJCWAZGWPOS-DSHMPAHRSA-N 416.558 4.484 0 1 HIAF COc1ccc(-c2noc([C@H]3CCCN(C(=O)N[C@@H]4C[C@H]4c4ccccc4)C3)n2)cc1 201454346 HPFBSPLFISAMTB-SESVDKBCSA-N 418.497 4.190 0 3 HIAF CCOC(=O)C1=C(N)OC2=C(CCC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 4023880 RRJLACOPSRNMEB-GOSISDBHSA-N 417.502 4.024 0 1 HIAF biogenic CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCN(CC3CC3)CC2)cc1 22939782 ZURGORQLJYCBIM-RUZDIDTESA-N 405.586 4.286 0 1 HIAF Cc1nc(CN(C)C)n(-c2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1CO 39270882 NOJZVHXIZKVENY-UHFFFAOYSA-N 418.324 4.272 0 1 HIAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C\c2cnc3ccccc3c2)C(=O)O1 45496166 NZYNTDGHNYYHKJ-NNDWLSIRSA-N 411.498 4.056 0 1 HIAF 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)Nc1cccc(O)c1 58486856 NOUYCYGNOBPMES-RKRMHJIESA-N 408.542 4.244 0 1 HIAF O=C(NCc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1ccncc1 64526970 HRBVFHVDSGGRDP-UHFFFAOYSA-N 423.398 4.278 0 1 HIAF O=C(C[C@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc2c(c1)[nH]c1ccccc12 95579325 OBMGEBSSWPCBJP-GOSISDBHSA-N 401.418 4.463 0 1 HIAF COc1ccccc1OCCNCC[C@H](O)COc1ccc2[nH]c3ccccc3c2c1 96939499 HOGSKTXHLAOKQW-SFHVURJKSA-N 420.509 4.128 0 1 HIAF O=C1c2cc(Cl)ccc2OCC[C@@H]1CN1CCN(c2ccccc2Cl)CC1 103211998 KPVOFZAWXWUTSN-OAHLLOKOSA-N 405.325 4.397 0 1 HIAF Cc1c(Cc2ccc(=O)n(Cc3ccccc3F)c2)c2cc(F)ccc2n1CC(=O)O 117017051 YVTHYEMTBXGEMA-UHFFFAOYSA-N 422.431 4.113 0 1 HIAF O=S(=O)(c1ccc(Cl)cc1)[C@]1(c2cc(F)ccc2F)CC[C@H](CO)CC1 253677636 OFQZHYHOSSQSPA-XVDXERDNSA-N 400.874 4.470 0 1 HIAF CC(C)(C)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2n1 586953447 OPGZYMWESVHISA-UHFFFAOYSA-N 413.528 4.180 0 1 HIAF Nc1ccnc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH]c12 586983898 LCFCCERZOVSARI-UHFFFAOYSA-N 408.259 4.222 0 1 HIAF Brc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cn1 586998649 NEHFPIINUXSALE-UPHRSURJSA-N 423.064 4.382 0 1 HIAF Brc1ccc2c(cnn2CCc2nc3ccnc(Br)c3[nH]2)c1 587002352 KBNJFTBQDHTQMG-UHFFFAOYSA-N 421.096 4.075 0 1 HIAF Clc1ccccc1NCc1nc2c(I)cnc(Cl)c2[nH]1 587061379 FVMVEGPWXNODAH-UHFFFAOYSA-N 419.053 4.481 0 1 HIAF Cc1cc(Br)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c1 587235438 MZTPPFPXRWKEBK-UHFFFAOYSA-N 422.323 4.497 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc(Br)s1)O2 587409784 JNWFSYDJBVUNAY-IPLHWJFFSA-N 407.333 4.337 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-n2c1nc1ccccc1c2=O 587480220 CUYRTFCGKJQDLA-SANMLTNESA-N 424.456 4.266 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc12 587508989 VAXZTCMUUBPIQJ-HXUWFJFHSA-N 403.356 4.277 0 1 HIAF CC(C)(C)OC(=O)NCC1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587579496 OICDBVBIRJTLSY-NABQHUIHSA-N 411.454 4.027 0 1 HIAF COC(=O)[C@H](C)[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591420 GWRXKGRYOQIKTC-WZSOFCAESA-N 418.445 4.144 0 1 HIAF CCCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587792238 HNASCQCNKHVWQS-GIPWTMENSA-N 403.295 4.271 0 1 HIAF CCOC(=O)Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587793471 FJMMEMSPDAYVKY-ZSEKCTLFSA-N 420.322 4.492 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587802310 KZEAGEYMYJIZGE-OVWNDWIMSA-N 417.278 4.480 0 1 HIAF Cc1oc(CCC(=O)O)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587826248 DVLDQDGHQIXOCE-DGIBIBHMSA-N 410.283 4.305 0 1 HIAF CO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 617980979 KDJPDCJHLXUCQD-ASBZNUFUSA-N 422.485 4.485 0 1 HIAF N=C(N)Nc1ccc(CNc2c(Cc3cccc(Cl)c3)nc3ccccn23)cc1 653804921 PEDUQGMZBAJTFO-UHFFFAOYSA-N 404.905 4.496 0 1 HIAF CC(C)CNC(=O)C[C@H](C1CCCCC1)n1cc(Nc2ncnc3[nH]ccc23)cn1 653847645 JJECDXMUQUASTR-LJQANCHMSA-N 409.538 4.182 0 1 HIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc(CN4CCCC4)cs3)N12 962675409 WYDFHINXZXPLCZ-XUZZJYLKSA-N 421.566 4.080 0 1 HIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(cccc3OC[C@@H]3CC3(F)F)C2)cc1 1772629812 OARGRHIXKCJBHZ-IERDGZPVSA-N 414.496 4.476 0 1 HIAF CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(F)(F)C(=O)c1ccc2c(c1)OCO2 1857767470 UUXCLBWETQQWIE-QGZVFWFLSA-N 405.397 4.499 0 1 HIAF COc1cc2c(c(OC)c1OC)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2 3814281 OFXAQILQKJVEHQ-HXUWFJFHSA-N 409.526 4.370 0 1 HIAF O=C1C[C@@H](c2ccc(O)cc2)c2ccc(O)c(C(=O)CCc3ccc(O)cc3)c2O1 13382653 YSYWPWCXPKWOIK-IBGZPJMESA-N 404.418 4.060 0 1 HIAF biogenic C=C[C@]1(C)C=C2C[C@H](OC(C)=O)[C@@H]3C(C)(C)[C@H](OC(C)=O)C(=O)C[C@]3(C)[C@H]2CC1 15060799 BZWLAJUOKTUNEB-QBXIBUQTSA-N 402.531 4.404 0 1 HIAF biogenic COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)/C=C/C1CCCC1 26668438 LWKPMWUBVFNPGM-ZNJGPPGCSA-N 418.574 4.286 0 1 HIAF COC(=O)COc1cccc(-c2csc(-c3cc(C(=N)N)sc3SC)n2)c1 28771224 LLUMWIPXELSOAY-UHFFFAOYSA-N 419.553 4.096 0 1 HIAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(/C=C\C3=C[C@@H](O)[C@H](O)[C@H](O)C3)=CCC[C@@]21C 28814885 XCZILKGEPWAVGP-HGODFWPDSA-N 418.618 4.285 0 1 HIAF CC[C@]1(CCCCN2CCN(c3ccccc3OC)CC2)C(=O)Nc2ccccc21 29052987 QOLSSOMCERQWLI-RUZDIDTESA-N 407.558 4.288 0 1 HIAF CCC[C@@H](CC1(C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CCCC1)C(=O)O 34803390 RHGOAASQRMLTGQ-IBGZPJMESA-N 410.514 4.287 0 1 HIAF CCCCCCC(=O)OC[C@@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 40896801 LZCQMZKJLLEDAV-VZEGMYIASA-N 414.420 4.280 0 1 HIAF CC(=O)Nc1nc2ccc(-c3ccnc(OCCCc4ccncc4)n3)cc2s1 71317534 VTERDVKFXDWFLS-UHFFFAOYSA-N 405.483 4.118 0 1 HIAF COc1cc2nc(NCCCOC(C)C)nc(NCCCOC(C)C)c2cc1OC 82129286 LCBMGBMJWOWGKH-UHFFFAOYSA-N 420.554 4.101 0 1 HIAF Cc1ccc(CNC(=O)Nc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C 101027949 SYTAKZNIBKDFJB-OYRHEFFESA-N 403.482 4.081 0 1 HIAF O=C(N[C@H]1CCCC[C@@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1 103247945 IRNGVYZGPNAVHN-PMACEKPBSA-N 400.906 4.224 0 1 HIAF Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)C4CCC3CC4)sc(C)c2C)n1 147051974 CNEZRAUERQAXLB-UHFFFAOYSA-N 403.529 4.332 0 1 HIAF CN(c1nc2cc(F)ccc2o1)[C@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1 203540949 GXXIDCMOWDKHNH-AWEZNQCLSA-N 411.408 4.139 0 1 HIAF CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccc(Cl)c(F)c2)C1 204893158 KDARJUDHVLNAKQ-UHFFFAOYSA-N 401.844 4.435 0 1 HIAF C[C@@H]1[C@@H](c2cc(-c3ccc(N4CCOCC4)nc3)nc3ncnc(N)c23)CCC[C@H]1C 253637845 LRVYIKQEJRCWSM-RYRKJORJSA-N 418.545 4.045 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCN2C(=O)c3ccncc3[C@@]12c1ccc(Cl)cc1 299854828 ALEXRJFKHPGKAK-JOCHJYFZSA-N 422.847 4.079 0 1 HIAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C(=O)OC)cc4[nH]3)ccc12 586918265 KXCQTSPWNYHLCJ-UHFFFAOYSA-N 406.438 4.378 0 1 HIAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(F)(F)F)cc2[nH]1 586965510 ZVCXFRYCNNIGIY-UHFFFAOYSA-N 421.452 4.039 0 1 HIAF N[C@@H](N=O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587115915 FAKLHAYNOYPRDY-LBPRGKRZSA-N 400.158 4.130 0 1 HIAF Cc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)ccc1-c1ccc(C(=O)O)c(F)c1 587145548 YTIPAQOFJYOABP-UHFFFAOYSA-N 417.396 4.374 0 1 HIAF Cc1cc(Br)c2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2c1 587194050 YVAQLYRWTRFVNZ-UHFFFAOYSA-N 416.319 4.153 0 1 HIAF O=C(O)CC[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350690 XWKGEFSEBABUKQ-JTHBVZDNSA-N 407.397 4.046 0 1 HIAF COCCCOc1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587377642 OHUAFVOMYRYGAR-LJQANCHMSA-N 420.303 4.462 0 1 HIAF COC(=O)C[C@]1(Cc2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419987 DPAIJMIQBAOTLO-IERDGZPVSA-N 420.383 4.006 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CC[C@@]14CCN(C(=O)OCc1ccccc1)C4)[C@@H](C2)C3=O 587445342 VLUFTFLNGZOYPM-PNTFMKQHSA-N 419.477 4.004 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 587484948 HHWNUDOIJCUQFT-GJYADEQXSA-N 401.503 4.326 0 1 HIAF C[C@@]1(c2ccc(OCC(=O)N3CCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516167 ZCMTWTXPKZUGRF-SANMLTNESA-N 419.521 4.447 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1N1CCOCC1 587555921 HWUOAYBXLDAMHZ-YKSBVNFPSA-N 421.424 4.071 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnn1-c1ccc(F)cc1 587569962 JPAHSNHHHQSBBP-REWPJTCUSA-N 402.381 4.420 0 1 HIAF CN(C)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572697 PXTQIISTBHOQMQ-QPPBQGQZSA-N 405.450 4.036 0 1 HIAF COc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)cc1 587651989 IWNXMAQEUARTTA-UHFFFAOYSA-N 420.852 4.326 0 1 HIAF Cc1ccnc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587739634 BUNBAFHUYRKONL-CWTRNNRKSA-N 406.299 4.070 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587760369 XWACYNYCRNQORV-BIBXISHDSA-N 415.310 4.409 0 1 HIAF Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nn2)cc1 587761490 UUGOJFFJYYSPSN-ZUOKHONESA-N 415.310 4.160 0 1 HIAF CSc1ncc2c(n1)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587847209 SRNXDHFDYZGGIH-MGNBDDOMSA-N 408.340 4.214 0 1 HIAF Cc1c(F)ccc2c1[C@@](C)(c1ccc(S(=O)(=O)N3CCCCCC3)cc1)NCC2 962143777 JAUUSEUIKXWGGR-HSZRJFAPSA-N 416.562 4.108 0 1 HIAF CC(=O)Nc1ccsc1[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955310 KKXYBQHRGZJAAP-KRWDZBQOSA-N 410.461 4.466 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(Cl)c(O)c(Br)c1 963608389 KXEATGGZVXCTJD-XLFHBGCDSA-N 412.711 4.449 0 1 HIAF NCc1ccccc1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 1772652541 WDRULORDXYZPQS-FTJBHMTQSA-N 412.581 4.134 0 1 HIAF CCN(C(=O)CCn1c([C@@H]2CCCNC2)nc2cc(F)ccc21)C1CCCCC1 1857535924 AUWALAVJLICNFA-QGZVFWFLSA-N 400.542 4.214 0 1 HIAF O=C(NCCOCc1ccccc1)n1c(=O)oc2cc(-c3ccc(F)cc3)ccc21 1857541960 MDYVFQBPXPWLEG-UHFFFAOYSA-N 406.413 4.175 0 1 HIAF CCNC(=O)c1ccc(-c2c(C)nc3c(OCc4ccc(C)cc4)cccn23)cn1 1911571030 GFNGEIZZQOFVCS-UHFFFAOYSA-N 400.482 4.342 0 1 HIAF CC(=CCCC(=CC[C@@H]1OC(=O)C=C1CO)CO)CC[C@@H]1C(C)(C)CCC[C@@]1(C)O 2356388360 BYAXMGMKQCMKDN-SGIRGMQISA-N 420.590 4.223 0 1 HIAF COC(=O)[C@H]1[C@@H]2[C@H](OC(=O)C=Cc3ccccc3)[C@@H](C(C)C)CC[C@@]2(C)CC[C@H]1O 2356411071 GSVHJKOPCZOBLY-OPTVZMDNSA-N 414.542 4.244 0 1 HIAF COc1ccc([C@](C)(NC(C)=O)c2nc(-c3cccc(NC(C)=O)c3)cs2)cc1 61906293 JTZNFVIJHCWLTB-QFIPXVFZSA-N 409.511 4.177 0 3 HIAF COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 774001 XBODQLPXOFVHRW-RTBURBONSA-N 422.481 4.059 0 1 HIAF CCOC(=O)c1c(Br)c(-c2ccc(OC)cc2)c(Br)n1C 1638629 IUXQWTPCTXMXNF-UHFFFAOYSA-N 417.097 4.402 0 1 HIAF CCCc1cccc(-c2ccc(CCC[C@@H](P(=O)(O)O)S(=O)(=O)O)cc2)c1 13746372 YPYHANFJJYXHHY-IBGZPJMESA-N 412.444 4.020 0 1 HIAF CS(=O)(=O)c1ccc(N(CC2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1 28134933 FLKPMRHNMPIBMW-UHFFFAOYSA-N 413.952 4.429 0 1 HIAF CC(C)[C@H](C(=O)O)N(Cc1cccnc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 28563382 XOCKHINDKKEVNK-JOCHJYFZSA-N 424.522 4.049 0 1 HIAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc(Br)cc4)ccc3c12 35283138 VIUGJJRYNQLKGU-UHFFFAOYSA-N 400.301 4.429 0 1 HIAF CN(CC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C[C@@H]1COc2ccccc2O1 40447765 UPZZRIFESLDQNC-BWKNWUBXSA-N 408.542 4.196 0 1 HIAF CC[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 40640436 JFWJCWCZUQORCO-JOCHJYFZSA-N 410.481 4.338 0 1 HIAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 95567662 VUEYMYWPOLZJQS-UHFFFAOYSA-N 408.493 4.232 0 1 HIAF O=C(O)Cc1ccccc1S(=O)(=O)c1ccc(-c2ccc(OCCF)cc2)cc1 95581989 UIVFNXLDHQCJRY-UHFFFAOYSA-N 414.454 4.162 0 1 HIAF O=C(c1ccccc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO 95877489 WMVYRBDHTHBYSW-IGKWTDBASA-N 402.469 4.483 0 1 HIAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O 100617118 WKPMMJFYKKQWLO-BVFILSHUSA-N 421.541 4.231 0 1 HIAF CC1(C)CCN(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(C3CCCCC3)c21 101668494 HKFKIRVNMWCAKD-KGKIMSSJSA-N 411.590 4.451 0 1 HIAF COc1ccc(NC2=NN(C(=O)COc3ccccc3Cl)C(C)(C)S2)cc1 103172324 PUFWESIDMLJZRG-UHFFFAOYSA-N 405.907 4.422 0 1 HIAF O=C(CC1CCC1)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166274913 UMJSXYORDFPWCZ-UHFFFAOYSA-N 416.525 4.435 0 1 HIAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCc4cnco4)cc3)oc2c1 168598368 QPSYBNBEPPZVTG-CQSZACIVSA-N 416.437 4.312 0 1 HIAF Cc1ccc(-c2nc(C[S@](=O)CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)cc1 169299204 HCPMBDJDMRNPHJ-AGFNESPPSA-N 402.560 4.148 0 1 HIAF CCS(=O)(=O)CCCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N)CC2 202732351 NUKKBDWDURQAMW-FCHUYYIVSA-N 421.990 4.143 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCC4(c5ccc(F)cc5)CC4)ncc23)ccn1 261184239 WXCXWQBEOBOQAJ-UHFFFAOYSA-N 416.460 4.321 0 1 HIAF CN1CCN(c2ccc3nc(-c4ccccc4OCc4cscn4)[nH]c3c2)CC1 587029296 NDOFCINABDGCHI-UHFFFAOYSA-N 405.527 4.017 0 1 HIAF Brc1c[nH]c2nc(COc3ccccc3C3SCCS3)nc-2n1 587042627 UQPOOSJDZSESQG-UHFFFAOYSA-N 409.334 4.125 0 1 HIAF Cc1ccnc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587329629 ACKMQLYBVAGJJU-ISKFKSNPSA-N 420.440 4.381 0 1 HIAF CCOC(=O)[C@@]1(c2ncccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340467 SXAJVDHQJRZPEY-GBXCKJPGSA-N 421.424 4.052 0 1 HIAF C[C@]1(COC(=O)c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340819 WYDJDISSKNKBIN-XUZZJYLKSA-N 421.424 4.088 0 1 HIAF C[C@@H]1Nc2ccccc2C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348831 SKMFHXFRIBNRFA-KYEGHIGRSA-N 403.409 4.326 0 1 HIAF C[C@]1(c2cccc(NC(N)=S)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378473 VLWAGXPIOZJDLX-NZQKXSOJSA-N 422.481 4.461 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCOc4c(F)cc(Br)cc41)[C@@H](C2)C3=O 587429385 UVPCRZAZFOMOCY-HXPMCKFVSA-N 405.219 4.022 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCCCOC)c1)CC2=O 587484610 STJIKNQVLRUNRR-OAQYLSRUSA-N 400.471 4.475 0 1 HIAF CN(C)CCOc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587569122 FELBNCQCJOQFAU-WIOPSUGQSA-N 419.477 4.210 0 1 HIAF CC[C@@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757022 UBCAUECBIAKYIV-VOJFVSQTSA-N 401.320 4.252 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@H]2Cn2cncn2)N1 587758362 IPRMCPDKOCBFCR-FRIZHTMISA-N 407.331 4.190 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@@H]2Cn2cncn2)N1 587758374 IPRMCPDKOCBFCR-MUKKUYKPSA-N 407.331 4.190 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccncc2)N1 587763131 IFQLYKMWPRGIOQ-WYRIXSBYSA-N 401.283 4.007 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587788912 AOYQXVRRPBIVKH-LZVRBXCZSA-N 409.299 4.333 0 1 HIAF CCN(c1ccc(-c2csc(-c3ccc(N)cc3Cl)n2)cc1)S(C)(=O)=O 587923639 ZISHZDBVTRTWMW-UHFFFAOYSA-N 407.948 4.499 0 1 HIAF C[C@H](c1ccccc1)N1CC2(CC2)[C@]2(C1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962728699 FPZRVUHJTGDHBI-AYPBNUJASA-N 414.471 4.385 0 1 HIAF COc1ccc([C@@]2(Cc3ccc(F)c(F)c3)NCCc3c2c(C(C)C)nn3C)cc1 962921585 ORIJSSHXOCUGGI-XMMPIXPASA-N 411.496 4.462 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1c(-c3ccco3)oc3ccc(O)cc13)NCC2 962923538 HXYSZDSGYLYVGC-QFIPXVFZSA-N 402.450 4.335 0 1 HIAF Cc1ccccc1-c1nc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)co1 962968697 DHKYZOABCTUEQM-RDTXWAMCSA-N 404.800 4.270 0 1 HIAF C[C@]1([C@@H]2CC2(Cl)Cl)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963166093 CJMIJLDPCHEWSF-VYUIOLGVSA-N 402.627 4.367 0 1 HIAF Cn1cc(-c2ccc3nc(NC(=O)C4CCCCC4)cn3n2)c(-c2ccc(F)cc2)n1 1772585331 WNBWDRVKDPRTAU-UHFFFAOYSA-N 418.476 4.455 0 1 HIAF C[C@H](c1ccc(C=O)cc1)[C@@H]1C[C@H]([C@@H]2CC[C@@H]3CCC4(CCCC4)[C@@H]3N2)[C@]2(O)C[N@]12 2356700871 JWRGEHATSYWSHI-GCAWTGHQSA-N 408.586 4.086 0 1 HIAF c1ccc(CCCNCCCn2cnc3c(OCc4ccccc4)ncnc32)cc1 61935968 ARJHHDFYISXFST-UHFFFAOYSA-N 401.514 4.018 0 3 HIAF C[C@H](CNCCCn1cnc2c(OCc3ccccc3)ncnc21)c1ccccc1 61935984 LTNWLPCNILQROH-LJQANCHMSA-N 401.514 4.189 0 3 HIAF CC(=O)N1c2ccccc2N=C(c2ccc(C(F)(F)F)cc2)[C@H]1C(=O)NC(C)C 103119736 PVFFWKBOPSZFEH-IBGZPJMESA-N 403.404 4.086 0 3 HIAF C[C@@H](O)[C@@H](C)C(=O)c1c(O)c2c(c3c1OC(=O)C[C@@H]3c1ccccc1)OC(C)(C)C=C2 13382712 LPOJHKDMSLEMHR-CKEIUWERSA-N 422.477 4.217 0 1 HIAF biogenic,in-vitro NC(=O)[C@@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 13729563 WPMTYKBBHJCGCG-QGZVFWFLSA-N 407.341 4.297 0 1 HIAF CC[C@@H](C)c1cc(=O)oc2c(C(=O)C[C@@H](C)CO)c(O)c(CC=C(C)C)c(O)c12 14586113 ZLUSGBMZNWJLHJ-ZIAGYGMSSA-N 402.487 4.428 0 1 HIAF biogenic CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OC(C)C)ccc3C)c2c1C 14974273 NGMYPHYSONFTNF-UHFFFAOYSA-N 424.505 4.186 0 1 HIAF Cc1cccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)c1 28958290 PNPHIZPMOJAPMH-UHFFFAOYSA-N 409.507 4.350 0 1 HIAF OC[C@@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(Cc4ccccc4)C[C@H]23)cc1 29127994 CNPAPCMIYUFOOZ-KLJDGLGGSA-N 402.582 4.221 0 1 HIAF Cc1cc(C)n(-c2cc(NC(=O)Cc3cc(F)cc(F)c3)nc(-c3ccc(C)o3)n2)n1 29128119 MBJVDWRCIGPBCQ-UHFFFAOYSA-N 423.423 4.307 0 1 HIAF Cn1cc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)n(C)c1=O 45168535 HREOVSGSGYMLAK-UHFFFAOYSA-N 423.476 4.186 0 1 HIAF COc1ccccc1/C=C/C(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C 66252006 RKWBOTPUCAVSAH-DJGBTNNQSA-N 406.434 4.140 0 1 HIAF O=C1OCC2=C1[C@@H](c1cc(Br)ccc1O)c1ccc3ccc(O)cc3c1N2 71295082 CQXNQMDQBADNBA-GOSISDBHSA-N 424.250 4.382 0 1 HIAF COc1cc([C@H]2C3=C(COC3=O)Nc3c2ccc2ccccc32)cc(OC)c1OC 71295632 FYNXEZQTZYIWDB-HXUWFJFHSA-N 403.434 4.234 0 1 HIAF COCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 82159790 DPEJGMIRWBBBKG-UHFFFAOYSA-N 416.525 4.177 0 1 HIAF CN1c2ccc(NCc3ccc(C(C)(C)C)cc3)cc2-c2c(cnn2C)S1(=O)=O 95589515 AVFJKWOKOZKXRX-UHFFFAOYSA-N 410.543 4.135 0 1 HIAF in-vitro COc1ccccc1[C@@]1(O)c2ccc3nc(C)c(OC)c(OC)c3c2[C@@H]2CC[C@H]1O2 95913721 XHNIIQKOPPYGRE-XLNZFTOWSA-N 407.466 4.039 0 1 HIAF biogenic,in-vitro Cc1ccnc2c(NC(=O)c3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3)cccc12 100441543 BLPUCTSDPCUHQQ-KLDKWKSESA-N 423.472 4.107 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ncc4nc(-c5ccsc5)oc4n3)C2)cc1 149634716 DWIXXGQNGVDUAZ-ZDUSSCGKSA-N 419.510 4.147 0 1 HIAF c1ccc(-n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)cc32)cc1 169706728 FRNNWASSAAUPGS-UHFFFAOYSA-N 421.508 4.122 0 1 HIAF CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)C1 504643260 NBZXMBPRBWXSSQ-HZXJNYJFSA-N 401.591 4.414 0 1 HIAF biogenic CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586985624 WSJVRQNTKONQEY-ZDUSSCGKSA-N 412.209 4.163 0 1 HIAF O[C@H](c1ccc(Br)cc1)c1nc2cc(Br)cc(F)c2[nH]1 586997027 LOXNZVDQHPCCES-CYBMUJFWSA-N 400.045 4.309 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587370246 CYBSEQQQCOFDAZ-FQEVSTJZSA-N 418.287 4.154 0 1 HIAF CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587401895 ZGGMYNFGTKAADU-VWLOTQADSA-N 417.461 4.113 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccc(O)cc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587448939 NSALTYGJZPIEOG-JTJYXVOQSA-N 416.429 4.273 0 1 HIAF COCCCNc1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534691 DTAAXSGMDKEMOJ-QFIPXVFZSA-N 400.544 4.659 0 1 HIAF Cn1nc(C(F)(F)F)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554973 JZEFGXCXZBIGHZ-QFBILLFUSA-N 404.344 4.022 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccc1)CC2 587581535 HVACFGMDWZOUID-QFIPXVFZSA-N 401.462 4.389 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c2ccc(Cl)c1F 587738301 MNSSATFBRFHOEY-GJEGPGMTSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCNC(=O)OCc2ccccc2)N1 587756952 SNWXRKFOUSHHOE-BFUOFWGJSA-N 421.310 4.480 0 1 HIAF CC(=O)C[C@@H]1C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587819360 HNQAGGLZHNKYEG-QRVQBPJGSA-N 410.327 4.302 0 1 HIAF CCOC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)oc1C 587826599 FMMTVRPFYZZZNM-APBUJDDRSA-N 410.283 4.464 0 1 HIAF CSc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(SC)n1 587844769 MIRPUUAZEDNWBE-XLKFXECMSA-N 414.369 4.446 0 1 HIAF Cc1cc2c([nH]1)CC(C)(C)C[C@]21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962622096 AUOHGSVICUXNDD-OXQOHEQNSA-N 408.420 4.037 0 1 HIAF CN1C(=O)C[C@H]2CN[C@H](c3ccc4cccc(Br)c4n3)c3cccc1c32 963015866 BIPBJYKCFLKLRT-ZSEKCTLFSA-N 408.299 4.140 0 1 HIAF COc1cccc2cc3c(nc12)[C@](C)(c1ccc(C(=O)C(F)(F)F)cc1)NCC3 963031052 GWWFMMUVIGZXOC-NRFANRHFSA-N 400.400 4.398 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@H](c3n[nH]c4ccc(OCc5ccccc5)cc34)c3cccc1c32 963035449 RTUPYUIBSAOOQQ-NSYGIPOTSA-N 424.504 4.285 0 1 HIAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@@H]1CC[C@@H](C)CO1 1772599369 SUECNHKSTARKJF-DYVFJYSZSA-N 416.522 4.037 0 1 HIAF CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(SCCN)nc12 1857592472 PCQPAKMJSYGXRE-UHFFFAOYSA-N 419.558 4.201 0 1 HIAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 1857611958 JNIOWEWPTYIEFO-UHFFFAOYSA-N 420.808 4.091 0 1 HIAF CC1=C[C@H](CN2CCC(CO)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 2356301231 ZQKYHLKIMCNCAL-PWRODBHTSA-N 403.611 4.469 0 1 HIAF O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 2356584989 ZLLUMBAEIVGBCC-YOEHRIQHSA-N 422.382 4.353 0 1 HIAF COc1ccc([C@H](C)NC(=O)C2CCN(CCCc3ccccc3)CC2)cc1OC 61928509 XTFPAGYSOIQZBE-IBGZPJMESA-N 410.558 4.226 0 3 HIAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4049413 GUJNNORKEPTGQD-UKILVPOCSA-N 415.537 4.390 0 1 HIAF CC[C@@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@H](C(C)(C)O)C2 13379079 NSWHDVGYGYSKPN-DYVFJYSZSA-N 422.477 4.469 0 1 HIAF biogenic O=C(O)C[C@](O)(CSCCCCCc1ccc(-c2ccccc2)cc1)C(=O)O 13758234 BHWFXROSLGDLSS-QFIPXVFZSA-N 402.512 4.090 0 1 HIAF COc1ccc(CCNC[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC 13780730 GOEQMVDHLGAJRV-JOCHJYFZSA-N 418.537 4.304 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(/C=C/CNc2nccc(-c3cccnc3)n2)cc1 29133295 ALYLGVYHLHSTHO-HWKANZROSA-N 422.492 4.498 0 1 HIAF c1ccc([C@@H]2NC(N3CCN(c4ccccn4)CC3)=NC3=C2CCc2ccccc23)cc1 45245657 CJHJOBCAYYMFIZ-VWLOTQADSA-N 421.548 4.262 0 1 HIAF COc1ccc(-n2nc(C)n(CCSc3cccc(C(F)(F)F)c3)c2=O)cc1 58506554 XYDCYLHYGOUOSM-UHFFFAOYSA-N 409.433 4.162 0 1 HIAF COc1cc2nc(N3CCC(CCO)CC3)nc(NCCC(C)(C)C)c2cc1OC 82129847 MUZCRBKJCNOSCB-UHFFFAOYSA-N 416.566 4.094 0 1 HIAF CC(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1 82187405 BKQKLCBXNVUYEG-UHFFFAOYSA-N 424.568 4.304 0 1 HIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)cc2OC)cs1 82195527 ZUABTWGFRINZLA-SFHVURJKSA-N 403.548 4.103 0 1 HIAF COc1c(CN2CCN(c3ccccc3)CC2)cc(Br)c2cccnc12 84635522 OLYHZOPFHPLTJL-UHFFFAOYSA-N 412.331 4.328 0 1 HIAF O=C(O)CCCOc1cc(-c2cnco2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143456223 HIZWQMLFUMQCPS-HXUWFJFHSA-N 419.355 4.364 0 1 HIAF COc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)OC(C)C)CC2 143996265 NSRYYDHNJBOURM-UHFFFAOYSA-N 401.434 4.032 0 1 HIAF Cc1nnc([C@@](C)(CC2CC2)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)o1 146372639 AMTWXRRTXOFLMD-LJQANCHMSA-N 424.423 4.037 0 1 HIAF O=C(NN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C1=O)c1ccccc1 169297376 SFBZTOORZNQQMW-LWSSLDFYSA-N 422.484 4.070 0 1 HIAF O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccncc2)[C@@H]1C(=O)c1cc2ccccc2o1 169688274 RNYAJCUSBIPWGN-DHIUTWEWSA-N 424.456 4.022 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cc(C)cc(C)c2)c1 169707240 FGWSQKYSYGNWJM-FQEVSTJZSA-N 416.525 4.183 0 1 HIAF CCC(=O)[C@@H]1[C@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@H]1N2C 253638461 RDOXVARXZHCHTF-DJZPMSPPSA-N 417.718 4.490 0 1 HIAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 586911873 MTMPUUWVMRRWPM-FXAWDEMLSA-N 415.515 4.045 0 1 HIAF CCOc1cc(/C=C\c2nc3ccc(C(N)=O)cc3[nH]2)cc(Br)c1OC 586976595 AZEHNBIPPCBZFF-DAXSKMNVSA-N 416.275 4.002 0 1 HIAF COC(=O)c1cc2[nH]c(-c3nc(Br)sc3C3CC3)nc2cc1OC 587011955 FNXUELYCVHVDKI-UHFFFAOYSA-N 408.277 4.122 0 1 HIAF C[C@]1(Cn2nc(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336633 ZAVLKURSJMGXOZ-HNAYVOBHSA-N 422.243 4.247 0 1 HIAF COc1cc(C)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587353352 YSSLBAYHHXHLSA-HYBUGGRVSA-N 419.408 4.055 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(OC[C@@H]3CO3)cc1)O2 587415066 YGPXACHIDDUKIE-CJFMBICVSA-N 401.462 4.264 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4cccc(C(=O)O)c4)c1)[C@@H](C2)C3=O 587441348 DSFHHSJEQCXMLG-GBXCKJPGSA-N 416.429 4.461 0 1 HIAF Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br 587540721 QTFLVSSIJQIROD-PXNSSMCTSA-N 412.239 4.440 0 1 HIAF CN(CCC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N=O 587570000 HSTDPMNQAFOWOB-REWPJTCUSA-N 419.437 4.038 0 1 HIAF Cc1ccc([C@@]2(c3ncccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587586676 LHQCNIAMHZEBOI-SQJMNOBHSA-N 410.429 4.396 0 1 HIAF O=C(O)c1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611317 SBVQBGNQSQBTOR-RDPSFJRHSA-N 402.402 4.284 0 1 HIAF Cc1ccnc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587739588 BIFAXWGZMCCETB-BUXKBTBVSA-N 406.299 4.070 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncn2Cc2ccccc2)N1 587752118 BSPMXHDSUDDOLA-ZUOKHONESA-N 400.295 4.457 0 1 HIAF CCOC(=O)Cc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792283 BHBWJECWTCZPAW-YEJXKQKISA-N 420.322 4.492 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)O)nn3ccccc23)N1 587798357 VDHYHXDBMYRXCS-VOJFVSQTSA-N 418.310 4.087 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(N)sc32)N1 587854505 CCYVPITWZIWTCU-YYSFKGJASA-N 410.356 4.377 0 1 HIAF COc1ccc2c(c1)[C@@H](c1cc(C)cc(CN3CCN(C)CC3)c1C)N(C(C)C)CC2 962095306 YJWASWNUZJLRIF-HHHXNRCGSA-N 421.629 4.415 0 1 HIAF COC(=O)c1cccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962952263 GYXXGYAWBLWFQB-IBGZPJMESA-N 405.416 4.233 0 1 HIAF Cc1ccnc2c1c([C@H]1N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c31)cn2C 963183080 SFFLCJDWVHEXSR-CXAGYDPISA-N 423.822 4.242 0 1 HIAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC[C@H](O)C1 1772575024 CTMRVPUKKRXAHX-HNNXBMFYSA-N 417.387 4.038 0 1 HIAF CC(=O)C1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772605836 BCDJRDDKTSCYGF-UHFFFAOYSA-N 415.371 4.102 0 1 HIAF CC(C)(C)c1ccc([C@H]2C(C(=O)O)=CC[C@@H](c3ccccc3)N2S(C)(=O)=O)cc1 1857541441 KRGVSLHSFHLNAO-SFTDATJTSA-N 413.539 4.443 0 1 HIAF CC1(C)CN(C(=O)Nc2cc(-c3cn(C4CCOCC4)c4cnccc34)ccn2)C1 1911586791 WAUJBHZGGVGMME-UHFFFAOYSA-N 405.502 4.324 0 1 HIAF CCN(CC)CCCNC(=O)c1oc2ccc3c(c2c1C)[C@H](O)CC1(CCCC1)O3 6751317 CPIABGMRWVSNEZ-QGZVFWFLSA-N 414.546 4.332 0 1 HIAF CC1(C)Oc2c(cccc2N2CCN(CCCc3c[nH]c4ccccc34)CC2)NC1=O 13674853 NXIWXBJHNOSEDP-UHFFFAOYSA-N 418.541 4.032 0 1 HIAF CN(C)c1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1 13762112 UKINWXGEQUAQTC-UHFFFAOYSA-N 409.433 4.028 0 1 HIAF C[C@H](C(=O)NCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35050537 YAKIVEOUPZUBMW-OMONWTICSA-N 417.590 4.153 0 1 HIAF COC(=O)[C@@H](Sc1ccccc1)c1ccc(OC)c(I)c1 40764197 RVAZICHCLCSBTN-HNNXBMFYSA-N 414.264 4.306 0 1 HIAF CC(C)OC(=O)C[C@@H]1C(C(=O)OC(C)C)=C(N)Oc2ccc(-c3ccccc3)cc21 42989373 MMJDKOIXEGPBMY-IBGZPJMESA-N 409.482 4.293 0 1 HIAF O=S(=O)(c1ccc(Cl)s1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccccc1)C2 72125057 WWBXWWWAZYGPBG-JKIFEVAISA-N 419.959 4.359 0 1 HIAF COc1ccc([C@@H]2C(c3ccccc3)=C(c3ccccc3)Nc3nc(N)[nH]c(=O)c32)cc1 102822666 ZMZRFBGSYTXGHA-HXUWFJFHSA-N 422.488 4.487 0 1 HIAF CC[C@@H](C)C(=O)N1CCC[C@@H](Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 167548891 WEQQVFKYQCOVRV-VGOFRKELSA-N 422.529 4.045 0 1 HIAF CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccc(C(F)(F)F)cc4)nn23)cc1 169306674 DNKIBXKZNJLLJE-UHFFFAOYSA-N 417.412 4.486 0 1 HIAF CC[C@@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@@H]1c1ccccc1 169345782 LBSXDTWIFKMNQR-XHDPSFHLSA-N 403.269 4.440 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Cl)nc3[nH]2)C[C@H]2CCCC[C@H]21 586958901 IYYDDGYGSLZBFD-XYPHTWIQSA-N 416.934 4.306 0 1 HIAF CC1=C(c2ccc3nc(/C=C/c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)NNC(=O)C1 587134224 KMBHPTXPKJBHGU-HWKANZROSA-N 420.341 4.184 0 1 HIAF O=S(=O)(c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1)C(F)(F)F 587152836 SIMLYUHMPOCHFA-GHMZBOCLSA-N 402.344 4.406 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(Br)cc3)CC1)O2 587370629 GXPSUDWXGOCPFH-UHFFFAOYSA-N 401.304 4.344 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3c(Br)cc(Cl)cn13)O2 587370681 AVWDOHCJKSMLIP-OAHLLOKOSA-N 406.667 4.347 0 1 HIAF COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587524409 OCHPIHQRFUESLP-RUZDIDTESA-N 406.478 4.175 0 1 HIAF Cc1nc(Cl)c(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587554996 ZBCIFGRDGOBACT-JKSUJKDBSA-N 417.248 4.370 0 1 HIAF CCOC(=O)CCc1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623457 HTBQGWVVFSNYGR-UHFFFAOYSA-N 413.275 4.364 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2nccn2C)N1 587731934 MBSBNKZYFFYKJC-MPBGBICISA-N 418.285 4.287 0 1 HIAF CC(=O)N1CCc2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587766008 LZHUHGFVJRKOEE-GTJPDFRWSA-N 417.322 4.295 0 1 HIAF CC(=O)N1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1 587769751 PWEJDAYTOZITEM-ZSEKCTLFSA-N 417.322 4.118 0 1 HIAF CC(=O)C[C@@H]1C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587822641 LTLHNSQVYPFRHF-BGFJZZDESA-N 410.327 4.302 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2C[C@H]2C(=O)O)N1 587825121 FUVMQUSUVUXZSB-INYKDOSESA-N 404.279 4.087 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(C)o2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832156 YUGORUKWOIJFFB-WYRIXSBYSA-N 410.283 4.221 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2ccc(C)o2)n1 587868845 UWGMNDIYBAMISP-UHFFFAOYSA-N 401.348 4.320 0 1 HIAF COc1ccc2cc([C@@H](C)c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)ccc2c1 587933951 BDDSXPCQMPKXCB-CQSZACIVSA-N 409.511 4.127 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(C[C@H]5CCC(=O)[C@H]5C)[nH]c4c3)o2)cc1 587960746 BBWNIABXVMUBAH-DZGCQCFKSA-N 402.454 4.446 0 1 HIAF CC(C)Cn1c(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc2ccccc21 653700765 BRRDPENMDBWXNL-LJQANCHMSA-N 409.511 4.165 0 1 HIAF Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c4c(c23)OCCO4)cc1Cl 653861707 DKDVAKLTCAGCOZ-LBPRGKRZSA-N 417.824 4.105 0 1 HIAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c(Cl)c1 962701481 RARHXIZCDFULHE-JKSUJKDBSA-N 403.759 4.195 0 1 HIAF COc1cccc([C@@]2(c3ccc(C(C)C)cc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)n1 962903708 MXLYTTPDMYAVON-OFVILXPXSA-N 420.484 4.244 0 1 HIAF CCCc1ccc([C@]2(c3cccc(OC)n3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962917415 GTXQZEVGLAYGSO-NBGIEHNGSA-N 420.484 4.073 0 1 HIAF CCOc1ccc(-c2cc3c(cn2)nc(O)n3-c2cc(OC)c(OC)c(OC)c2)cc1 1857538980 HLBIXHNTZQDHIL-UHFFFAOYSA-N 421.453 4.218 0 1 HIAF O=C(c1ccc(Br)cc1)c1nc(SCc2ccccc2)nc(O)c1O 1857592638 QLKPBKASVROSLN-UHFFFAOYSA-N 417.284 4.174 0 1 HIAF Cc1ccc(S(=O)(=O)NC(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cc1 1857748298 GVCFACHCAXATAD-GOSISDBHSA-N 424.522 4.323 0 1 HIAF C[C@H](N=c1[nH]c2c(cnn2C(C)(C)C)c(=O)n1Cc1ccccc1)c1ccc(F)cc1 1911576875 XIMMQQRUYYGBED-INIZCTEOSA-N 419.504 4.130 0 1 HIAF CCCCOCC=Cc1cc(OC)c2c(c1)[C@@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 2356743394 YQSAYBNHZLLVQX-AUSIDOKSSA-N 414.498 4.449 0 1 HIAF COC(=O)C1=CC[C@H]2[C@@](C)([C@@H](O)C[C@H]3[C@@]4(C)CCCC(C)(C)[C@H]4CC[C@]32C)[C@@H]1O 2356807705 YARKFTGSBUNBRA-VTCKESDJSA-N 404.591 4.486 0 1 HIAF Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4cccc(Cl)c4)no3)CC2)c1 61959837 KATPHVJGPVMLKM-UHFFFAOYSA-N 424.932 4.288 0 3 HIAF O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(c2ccccc2)C1=O 1489440 ROJABBWXQCHJSU-UHFFFAOYSA-N 418.236 4.142 0 1 HIAF N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2Cl)c(Cl)c1 6091822 UHXIDMNAFKSRPE-UHFFFAOYSA-N 409.317 4.190 0 1 HIAF COc1ccc(C[C@]2(CCC(=O)N3CCC[C@@H]3c3ccc(F)cc3)CCC(=O)N2)cc1 12453777 RQFAPOSFUJNKIG-RCZVLFRGSA-N 424.516 4.170 0 1 HIAF CCN1c2ncc(C(=O)N(C)c3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 26749954 NWMGQUWAUUOZLQ-UHFFFAOYSA-N 421.888 4.155 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)c(C)c2)[C@@H]1Oc1ccc(C(=O)O)cc1 27210959 MIGLJSMFEAXRLC-JOCHJYFZSA-N 424.497 4.265 0 1 HIAF Cc1csc(NC(=O)C(=O)c2cn(Cc3cc(C(C)C)no3)c3ccccc23)n1 29412864 XYJZWLSUPCLJCG-UHFFFAOYSA-N 408.483 4.387 0 1 HIAF O=C(Nc1ccc(Br)cc1)O[C@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 35848699 SWAPELXGNLSFEZ-MOPGFXCFSA-N 416.319 4.098 0 1 HIAF O=C(O)COc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 38447758 JUZWEMPFFFBUCL-UHFFFAOYSA-N 402.450 4.170 0 1 HIAF CCCC[C@H](CC)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(F)c(Cl)c2)C(=O)O1 40405912 XNFOFLKZKHRUHX-SEPMDONNSA-N 412.885 4.300 0 1 HIAF C[C@@H](OC(=O)CCCCc1ccccc1)[C@@H]1CN(C(=O)CCCc2ccccc2)C1=O 45259697 XLBHDIYWMSFKIS-OFNKIYASSA-N 421.537 4.339 0 1 HIAF COc1cccc(NC(=O)Nc2cccn(Cc3cc(F)ccc3Cl)c2=O)c1 64513826 MZFHOQAUYKWFMK-UHFFFAOYSA-N 401.825 4.342 0 1 HIAF COc1ccc(CN2C[C@H]3CCC[C@H](N4CCCC4)[C@@H]2CN3Cc2ccccc2)cc1 71280603 QGHZKNVBZNJZGF-STXQHDJLSA-N 419.613 4.399 0 1 HIAF CCCCCNc1ncnc2c1nc(-c1ccc(C(=O)OC)cc1)n2C[C@@H]1CCCO1 82186334 GRCXRKQGSGUHIU-SFHVURJKSA-N 423.517 4.061 0 1 HIAF Cc1ccc(NC(=O)c2ccc(Cn3nc(C)c(CC(=O)O)c3C)cc2)cc1Cl 169704021 YMZVNKXSMYYMSV-UHFFFAOYSA-N 411.889 4.389 0 1 HIAF c1nc(N2CCC(COCCN3CCCC3)CC2)c2c(-c3ccoc3)csc2n1 223008532 LVMSDBCOYRQBFT-UHFFFAOYSA-N 412.559 4.280 0 1 HIAF COC(=O)C1=CO[C@@H](C)[C@]2(C)CN3CCc4c([nH]c5ccc(OC)cc45)[C@]3(C)C[C@]12C 238742459 UHDJCSZGZJGMDR-CUDQFTTCSA-N 424.541 4.142 0 1 HIAF C[C@H]([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)[C@H]1C[C@H]1C(=O)O 299848596 SPBCVLSZAPVLJN-POTWAUTGSA-N 404.591 4.334 0 1 HIAF Clc1ncc(Br)c2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966294 ABPCJWLHEQTNIN-UHFFFAOYSA-N 423.683 4.111 0 1 HIAF COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)c(F)cc3[nH]2)cc1OC 586975986 QVXYVNDBAQMFNE-OAHLLOKOSA-N 414.662 4.183 0 1 HIAF Fc1cnc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc12 586994776 CDJSXCKMTSSGRV-UHFFFAOYSA-N 414.076 4.277 0 1 HIAF O=C(Nc1nc(Cc2nc3ccnc(Br)c3[nH]2)cs1)c1cccs1 587018878 AWYGOUWUUMZHAU-UHFFFAOYSA-N 420.317 4.082 0 1 HIAF Cc1c(Cl)ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587186794 UNXXXQNOILTOPO-UHFFFAOYSA-N 408.630 4.444 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C(=O)O)[C@H]3C(=O)O)c1 587365031 CMJHCAUGBRJMSC-RDTXWAMCSA-N 403.390 4.082 0 1 HIAF COc1ccc([C@]2(c3ccccc3OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441626 HYBSJKNKMQERFI-CJFMBICVSA-N 402.446 4.404 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CCC12CC2 587475574 PSDFTXDTCGQZNU-HSZRJFAPSA-N 401.503 4.470 0 1 HIAF NS(=O)(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587530597 FYPUUWZCKZSPMW-QFIPXVFZSA-N 423.490 4.179 0 1 HIAF CCn1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C(F)(F)F 587554067 GSOAFDMCNSCOFE-QAPCUYQASA-N 404.344 4.330 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581484 LKKFWGHTAGQBBF-PGRDOPGGSA-N 407.470 4.018 0 1 HIAF O=Cc1ccnc(-c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccn2)c1 587588822 SLTXUHBMAOFFIA-DHLKQENFSA-N 424.412 4.365 0 1 HIAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC 587594635 OZYPVEUEEFXMFR-XXBNENTESA-N 422.433 4.429 0 1 HIAF CCOc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606143 BOPSGOIKHZNTSM-URXFXBBRSA-N 404.418 4.431 0 1 HIAF CCOc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655661 DAQAJBIMWAQVPO-UHFFFAOYSA-N 406.388 4.429 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(Cc3ccccc3)n2)N1 587763605 KLQFCVOCKJJPKP-RNODOKPDSA-N 400.295 4.457 0 1 HIAF Cc1[nH]c2ccccc2c1[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 587805371 UBHHPHKDYLIBDS-SBKAZYGRSA-N 417.278 4.240 0 1 HIAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC 587808075 ONTGZOYEFZUXGP-XTZNXHDOSA-N 410.283 4.238 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccccc3oc2=O)N1 587839780 GSGNOMZBFIRWCG-BIBXISHDSA-N 402.263 4.492 0 1 HIAF CSc1ncc2c(n1)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587847212 SRNXDHFDYZGGIH-XTZNXHDOSA-N 408.340 4.214 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCCc2ccccc21 587870256 ZLIAYDOUCIEJPD-UHFFFAOYSA-N 416.403 4.066 0 1 HIAF Oc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCc1c([nH]c2ccccc12)C3 653729322 MRHCIINEVDJAOZ-ZONZVBGPSA-N 414.549 4.072 0 1 HIAF C[C@]1(c2ccc(O)c(F)c2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963174376 GJSRBUMHGUNFQO-RHSMWYFYSA-N 403.759 4.066 0 1 HIAF Cc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCOCC2)cc1F 1772584377 IWDCNSLWTGHXQN-UHFFFAOYSA-N 420.893 4.005 0 1 HIAF COc1ccc2nc3n(c(=O)c2c1)-c1cc2ccccc2cc1C(=O)N[C@H]3CC(C)C 61921312 ZLJGXGVTFLDQGG-NRFANRHFSA-N 413.477 4.378 0 3 HIAF Cn1c(=O)c([C@@H](c2ccccc2)c2[nH]c3ccccc3c2CCO)c(O)c2ccccc21 3975976 OKAAVPIQILYZEX-HSZRJFAPSA-N 424.500 4.440 0 1 HIAF biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C(=O)[C@@H](C)[C@H](C)C2 14692472 FLYXTLCSEZIBJX-NEPJUHHUSA-N 416.470 4.113 0 1 HIAF biogenic Cc1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O 26750984 JHEPBMVKKJYNGC-LKWCPCFXSA-N 421.468 4.463 0 1 HIAF C=CCc1cc(OC)c(O[C@H](C)[C@@H](OC(C)=O)c2ccc(O)c(OC)c2)c(OC)c1 39560245 YIOHELDFKFYTRY-JLCFBVMHSA-N 416.470 4.218 0 1 HIAF CN(C)C[C@@H](c1ccccc1)c1nnc2n1-c1ccccc1C(c1ccccc1)=NC2 40504185 PFKVZOMOSRIJBT-QFIPXVFZSA-N 407.521 4.312 0 1 HIAF COc1ccc(OC)c(CCNCc2coc(-c3ccc(Br)cc3)n2)c1 72183830 SCUQVPKZTLAGLJ-UHFFFAOYSA-N 417.303 4.454 0 1 HIAF CCOC(=O)c1c(N)oc2c1c(Sc1ccc(OC)cc1)c(O)c1ncncc12 73219869 DZUCDOFSAGWJJE-UHFFFAOYSA-N 411.439 4.000 0 1 HIAF Cc1ccc2c(c1)/C(=C\c1ccc(CN3C(=O)C(=O)c4cc(Cl)ccc43)o1)C(=O)N2 95557923 UEUPRAXUDGSLMW-LICLKQGHSA-N 418.836 4.464 0 1 HIAF Cc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 116823147 CJUYFTMJBXJBFH-PMACEKPBSA-N 408.505 4.300 0 1 HIAF O=C(NC1CC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1 143614718 JENGWHZWWIWXBO-UHFFFAOYSA-N 421.350 4.366 0 1 HIAF CCC(=O)c1ccc(OCCCCOc2cc(C(=O)O)ccc2OC)c(C)c1O 169351436 CJVXZWPOBFMNMR-UHFFFAOYSA-N 402.443 4.238 0 1 HIAF COc1cc(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)cc(OC)c1OC 299835016 VABBGJQABQRWKU-UHFFFAOYSA-N 400.381 4.305 0 1 HIAF Cc1ccc(-c2nnc(SCc3nc4ccc(Br)nc4[nH]3)n2C)cc1 586965378 OXAFNLSSPZCWPI-UHFFFAOYSA-N 415.320 4.117 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587036564 GEUPIKJOBQITFC-QGZVFWFLSA-N 407.586 4.034 0 1 HIAF Cc1ccc2c3c(cc(-c4ccc(C[C@H](N)C(=O)O)cc4)nc13)-c1ccccc1C2=O 587096420 AUHDGIRYBUEJQT-NRFANRHFSA-N 408.457 4.376 0 1 HIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587258566 NSDFNMZMNRBJMO-HNNXBMFYSA-N 424.407 4.456 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416577 DESGZWFJRMJMDA-ARZLJQGISA-N 414.299 4.176 0 1 HIAF C[C@]1(c2c(Cl)ncnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554258 WPJKFGUXNIIMPT-DJJJIMSYSA-N 403.221 4.366 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Br)N1 587677420 AFHACDOIJYEXEA-CLAHSXSESA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCN(C)C)(c2ccc(O)cc2)N1 587741431 NCZDKKBVOFAGDK-XCLFUZPHSA-N 407.327 4.023 0 1 HIAF COc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1 587777675 ISKIFMGCHLCIKT-GIGQVBGESA-N 417.278 4.474 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCC(=O)O)c2)N1 587797022 VDRHRSSYXIAYHW-ODXCJYRJSA-N 422.294 4.455 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccccc23)([C@@H](C)O)N1 587802942 OPTKGTHDJXKLES-FKANQGBASA-N 403.295 4.228 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc2c(c1)OCO2 587862934 LZWZOCDBCIWMDZ-UHFFFAOYSA-N 405.332 4.386 0 1 HIAF CCOc1ccc(OCC)n1-c1cc(C(=O)OC)c(Br)cc1Cl 587936422 IVTAWUFOQOZJEJ-UHFFFAOYSA-N 402.672 4.477 0 1 HIAF CC(C)N1C=C(C(=O)O)[C@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2cc(F)ccc21 963093593 AKOSGELISKLCPR-UUOWRZLLSA-N 410.464 4.426 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C(=O)[C@H](c2ccccc2)Nc2ccccc21 963639410 VCEBJRUYZMLPRQ-JRWZBITLSA-N 414.505 4.218 0 1 HIAF CO[C@@H]1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772585521 SJXKVERJOYIPFL-MRXNPFEDSA-N 417.387 4.302 0 1 HIAF COc1cc2nccc([C@@H](N)c3ccc4c(c3OC)C=CC(C)(C)O4)c2cc1OC 1772632051 XVUKAIRCLASRBZ-JOCHJYFZSA-N 406.482 4.493 0 1 HIAF Cn1c(Cl)c2c(c1C(=O)NCc1ncccc1N1CC[C@H](F)C1)CCC(C)(C)C2 1857762203 HOOUZQRGVVLXOC-AWEZNQCLSA-N 418.944 4.067 0 1 HIAF C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccc2c(c1)OCO2 1911575826 GXOSBQCAIBFCMC-HNNXBMFYSA-N 423.488 4.458 0 1 HIAF C[C@@]1(C(=O)NCc2ccccc2Br)CCN1Cc1c(F)cccc1F 61905592 HWKIHYNDONDDDA-IBGZPJMESA-N 409.274 4.008 0 3 HIAF CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2cccc(N(C)C)c2)O3)cc1 61927198 VFDBPNAZCQOWAM-RUZDIDTESA-N 416.525 4.213 0 3 HIAF O=c1[nH]c(SCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)nc2ccccc12 13682707 AGVJPBUZXJMRIM-UHFFFAOYSA-N 412.478 4.063 0 1 HIAF CC(C)CN1CC(=O)N2[C@@H](c3cccc(Cl)c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15955964 UEDUMMPCGLMDIY-OFNKIYASSA-N 421.928 4.162 0 1 HIAF biogenic O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCc2ccccc2C1 20580899 NOZNCQKKJFKUOA-UHFFFAOYSA-N 414.430 4.169 0 1 HIAF CN1C(=O)C(c2csc3ccccc23)=C(c2cn(CCCN)c3ccccc23)C1=O 29125190 RHDKBDOYUCAHHU-UHFFFAOYSA-N 415.518 4.114 0 1 HIAF Cc1cc(OCCCNCCc2cn(C)cn2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49054397 YLLBWQUJFRCPJD-UHFFFAOYSA-N 421.520 4.321 0 1 HIAF O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1Cl)c1ccccn1 58651299 BAXWPRMTKRJSSR-UHFFFAOYSA-N 422.293 4.442 0 1 HIAF NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1 95592305 ZRCVCVJPVIGDRB-UHFFFAOYSA-N 410.886 4.341 0 1 HIAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4nnnn4C=N[C@@H]32)cc1 98083427 RAEZGOIFZLNUMN-ISKFKSNPSA-N 420.476 4.070 0 1 HIAF CCCCN1N=C(CCC)[C@H](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O 100836045 WOAJGWCTSVFSPA-NRFANRHFSA-N 416.529 4.491 0 1 HIAF O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)[C@@](O)(c1ccccc1)C1CCCCCC1 101120460 RKDBPJCLTVDAHN-FCRYVSRXSA-N 418.581 4.091 0 1 HIAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1 149296140 DMJFIKAISKBQHN-OPAMFIHVSA-N 419.516 4.367 0 1 HIAF O=C(NCCc1ccc(F)cc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167013552 DFNGTSXITOYJOX-UHFFFAOYSA-N 403.457 4.346 0 1 HIAF Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCN4CCOCC4)c3)o2)cc1 169353060 ZWWDIHULJXNIMK-UHFFFAOYSA-N 420.513 4.153 0 1 HIAF CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 299877245 GYIVVOUKMKKPMK-OAGGEKHMSA-N 411.506 4.380 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 299883191 QXSMWXUTFDQBEL-YYKCRFIFSA-N 418.896 4.094 0 1 HIAF COc1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1C 586986351 WRPBAJWQUUVQBI-HNNXBMFYSA-N 402.292 4.062 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1F 586986884 QJFJQWNPMOAHSQ-UHFFFAOYSA-N 419.433 4.361 0 1 HIAF COc1cncc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 587054125 GGUGZKHSFXFHCQ-UHFFFAOYSA-N 401.253 4.150 0 1 HIAF C[C@@]1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)C=C(c2ccccc2F)NO1 587155221 INLQLUIOMKBHLF-QHCPKHFHSA-N 401.445 4.325 0 1 HIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587247478 MVWFCFXNPYXHEJ-UHFFFAOYSA-N 407.495 4.381 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc3ccc(Br)cn13)CC2=O 587461531 XQLIXCKOXOCTKP-QGZVFWFLSA-N 401.260 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(CCC(=O)O)=COc2cc(F)ccc21 587471970 NOFVSJDQUZJNIM-QHCPKHFHSA-N 412.413 4.486 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570730 XLNRYUDVLFUCJZ-QPPBQGQZSA-N 422.408 4.342 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1COC(C)=O 587589787 AJNFNRPJUYAZDK-XUZZJYLKSA-N 420.417 4.167 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597524 QUEACWFRPGUASR-QPPBQGQZSA-N 404.418 4.203 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ncc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 587666646 ZXYINBJONUWNDJ-UHFFFAOYSA-N 421.888 4.048 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2F)(C(F)(F)F)N1 587708804 DQNKMEIODCUMHO-GLEZIHRCSA-N 407.180 4.462 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587725564 DXJNANYOEKVOMT-ODXCJYRJSA-N 424.285 4.263 0 1 HIAF COC(=O)c1cccc2c1CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587812435 ZCKPSHXVOPOVSH-PRWKNARSSA-N 404.279 4.099 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC[C@@H]3CO3)cc2)N1 587835976 YFFMJUFNHPONKF-CBLJQSSYSA-N 406.295 4.164 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)sc(=O)n3C)N1 587857229 PYWWFUSXPBFXNK-VVVCHXIZSA-N 407.308 4.125 0 1 HIAF Cc1cc2nc([C@]3(C)N[C@H](C(=O)O)Cc4c(C(F)(F)F)cc(F)cc43)[nH]c2cc1C 962710534 LVBIEDSJYLWXSV-FXAWDEMLSA-N 421.394 4.200 0 1 HIAF COc1ccc(-c2ccccc2[C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962931667 ORYBSZWAHZVHNS-SANMLTNESA-N 400.522 4.473 0 1 HIAF COc1ccc2c(c1OC)[C@@](COC=C(F)F)(C(C)(C)C)NCC21CCOCC1 963184565 GXQBTRAFVIPQOG-QFIPXVFZSA-N 411.489 4.351 0 1 HIAF Cc1ccn2c([C@@H]3N[C@H](C(=O)O)Cc4cc(C(F)(F)F)c(Cl)cc43)cnc2c1 963189958 XORWCWNHBWDZEW-WMLDXEAASA-N 409.795 4.003 0 1 HIAF C[C@@H]1CCCCN1c1nc(O)c(-c2nc3ccccc3s2)c(N[C@@H]2CCCNC2)n1 1772577110 RPSPRDFGWSRLEO-HUUCEWRRSA-N 424.574 4.002 0 1 HIAF C[C@H](NC(=O)C1CC1)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@H](O)C2)cc1 1772622173 NYICIAFORQNKRB-SSOJOUAXSA-N 420.553 4.112 0 1 HIAF Cc1ccc(-c2ccc3[nH]cc(-c4nnco4)c(=NCCCn4ccnc4)c3c2)cc1 1857560844 LEZAYIDJYAUMRT-UHFFFAOYSA-N 410.481 4.381 0 1 HIAF c1cc(N2CCCCC2)nc(Nc2ccc(OCCCN3CCSCC3)cc2)n1 1857583931 DSFVOXGMYSHYSR-UHFFFAOYSA-N 413.591 4.028 0 1 HIAF COCCOCCOCCOCCOC(=O)Oc1c(C(C)C)cccc1C(C)C 1857771407 GRQFHFYNQATNHY-UHFFFAOYSA-N 412.523 4.145 0 1 HIAF Cc1ccc2nc(C[C@H]3CN(C4CCC(F)(F)CC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305897 RRSUJMSTTQZQKA-CVEARBPZSA-N 405.489 4.405 0 1 HIAF CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3C(=O)C[C@H](C)[C@@H]3[C@@H]2[C@]2(C)CC[C@H](C(C)(C)OC(C)=O)[C@@H]12 2356802519 SIIJXSSKYAUOMC-ZGZWOFFDSA-N 404.547 4.173 0 1 HIAF O=C(Nc1ccccc1)c1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 61906018 QFVSTKPCOJOUBV-HXUWFJFHSA-N 417.465 4.229 0 3 HIAF Cn1c(-c2cccc(F)c2)cc2c(Nc3cccc(NS(C)(=O)=O)c3)nccc21 82078770 CAXMYELRLFSFKD-UHFFFAOYSA-N 410.474 4.495 0 3 HIAF CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCCCOC)c1 2480494 QZQSKUFODFYQOV-UHFFFAOYSA-N 410.470 4.182 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCC(C)(C)CO 4216546 AKAQRCAMLXFIQG-LEWJYISDSA-N 404.551 4.234 0 1 HIAF COc1cccc(Nc2ncc3nc(CCc4ccccc4)c(=O)n(C4CC4)c3n2)c1 4238324 DRDUOSONYJVUJN-UHFFFAOYSA-N 413.481 4.059 0 1 HIAF CN(C)CCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 27323420 KPSPFGAWJNVQRV-UHFFFAOYSA-N 400.313 4.029 0 1 HIAF COc1ccc(CN[C@@H]2C[C@H](C(c3ccccc3)c3ccccc3)OC[C@@H]2O)cc1 28465694 RUVPTFYWDPFBOR-DSNGMDLFSA-N 403.522 4.135 0 1 HIAF O=S(=O)(c1ccccc1)N1CCCc2cccc(OCCCN3CCCCC3)c21 40565623 KIQUHVDMKQRLKF-UHFFFAOYSA-N 414.571 4.083 0 1 HIAF O=C(c1ccc(Oc2ccc(Cl)c(Cl)c2)cn1)N1CCCN(C2CC2)CC1 53313330 UWZNQUISDQRGDR-UHFFFAOYSA-N 406.313 4.491 0 1 HIAF COc1cccc(/C=C/C(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c1 66264031 TYNAZANZDAFPTG-OEAKIKGJSA-N 406.434 4.140 0 1 HIAF C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCC1CCCCC1 82082932 GCZYMORHEXNLIS-CYBMUJFWSA-N 405.951 4.278 0 1 HIAF COc1cc2nc(NCCCn3ccnc3)nc(NCCC(C)(C)C)c2cc1OC 82129404 IPSWJPKHUUHBRL-UHFFFAOYSA-N 412.538 4.194 0 1 HIAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1ccco1 103190702 XQELITFOWCWHER-HNNXBMFYSA-N 408.265 4.405 0 1 HIAF COC(=O)[C@H](C)CN(c1sc2ccccc2c1C)S(=O)(=O)c1ccccc1 115228109 WREWEOWZYOZQJQ-CQSZACIVSA-N 403.525 4.214 0 1 HIAF OCCn1cc(C[C@H](O)CO)c2cc(-c3ccc(Oc4ccc(F)cc4)cc3)ccc21 145464175 PZRUMQPCRWSJNZ-NRFANRHFSA-N 421.468 4.128 0 1 HIAF CC(=O)N1c2ccccc2Sc2ccc([C@]3(O)CN(C)[C@@H]4CCCC[C@@H]4O3)cc21 169307110 ILKCLTYYJHHDOS-MONBJTKQSA-N 410.539 4.254 0 1 HIAF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2Cl)NC(=S)N1 299863712 PQFYVJBIRPHJMM-INIZCTEOSA-N 414.943 4.381 0 1 HIAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 586911874 MTMPUUWVMRRWPM-PXNSSMCTSA-N 415.515 4.045 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cccc(O)c3[nH]1)C(=O)OC2 586915583 OGXKKUBBYKGUOM-KPKJPENVSA-N 408.454 4.083 0 1 HIAF CCOC(=O)Cc1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 587019982 AOANESJPEFPMBF-UHFFFAOYSA-N 416.503 4.063 0 1 HIAF Cc1ccc2c3c(cc(-c4cnc5cc(C(=O)O)nn5c4C)nc13)-c1ccccc1C2=O 587096458 JZSIYAJZHOKYTG-UHFFFAOYSA-N 420.428 4.471 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(F)c(Br)c3[nH]2)C(F)(F)C1 587132256 ONNYWJAOFDQPOF-MRVPVSSYSA-N 420.229 4.434 0 1 HIAF Fc1cc(Br)c(Cl)cc1-c1nc2nc(Br)c[nH]c-2n1 587137057 QWHDRXJZLALYIZ-UHFFFAOYSA-N 406.440 4.289 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 587168699 MPUZOKXZBRHKCX-UHFFFAOYSA-N 413.254 4.293 0 1 HIAF Fc1cc(Cl)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587188477 UAZLZBMRLMOTFO-UHFFFAOYSA-N 412.593 4.275 0 1 HIAF CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(C)cc1 587207772 VKGDQBOXVLKZBX-ZDUSSCGKSA-N 412.362 4.340 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587232049 RYKMGTZISFPYBM-GHMZBOCLSA-N 419.831 4.151 0 1 HIAF CCOC(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333864 DAAHVJKMWBALPI-LADGPHEKSA-N 421.424 4.134 0 1 HIAF COC(=O)[C@@H]1c2ccccc2C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348212 GTEUMXOJHRFCDI-HWBMXIPRSA-N 418.420 4.142 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccc(C(F)(F)F)cn3)c1C)O2 587384240 YVKKBIKINLPBJS-FQEVSTJZSA-N 416.403 4.366 0 1 HIAF COc1cccc(OCCn2cccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587431925 RRXGIDICGAZFKW-NTKDMRAZSA-N 405.450 4.073 0 1 HIAF CCn1ncc([C@@]2(C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587555434 LHCKDKUGJCDDJQ-DYESRHJHSA-N 400.381 4.039 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)nc(N2CCCC2)c1 587569056 KAWBRKUUVVPING-NZQKXSOJSA-N 406.413 4.229 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cnccn1 587573806 XVLRHNSNLYYBKL-QPPBQGQZSA-N 414.392 4.227 0 1 HIAF CN1CCCc2cc(C=O)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 587591435 FJEVNANGEDFZFN-SQJMNOBHSA-N 415.445 4.290 0 1 HIAF CCOC(=O)[C@H](C(F)(F)F)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587708304 AUSYTUJQMKDYBX-ZBVHDKTDSA-N 412.221 4.079 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)C(Br)=C2F)N1 587739699 VLQIJNVFUDXMHI-GLEZIHRCSA-N 420.095 4.310 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2ccccn2)N1 587753405 ILWOXNWZTPSHIE-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)CCC(=O)N3)N1 587798656 UYIVLSCNLMNLRG-PRWKNARSSA-N 403.295 4.271 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCc2nnc(N)s2)(c2ccccc2)N1 962955079 RQHBKKUYQRMKCZ-MWTRTKDXSA-N 403.555 4.402 0 1 HIAF Cc1nc(N2CCCCC2)ncc1[C@@]1(C)c2cccc(Br)c2CCN1C 963281383 RUZDVOXNYLHFHG-OAQYLSRUSA-N 415.379 4.289 0 1 HIAF CCOc1ccc(NC2=C(Cl)[C@]3(C[C@@H](C)C2)c2c(cnn2C)CCN3C)cc1 963956851 ZYCKMFHUBJWPSV-OYHNWAKOSA-N 400.954 4.494 0 1 HIAF Cc1cc(=NC(=O)C2=NN(Cc3ccc(Cl)cc3Cl)[C@H]3CCCC[C@@H]23)cc[nH]1 1772587615 KYTWPSNBOPLVOE-MJGOQNOKSA-N 417.340 4.488 0 1 HIAF O=C(O)c1csc(-n2nc(-c3ccc(F)c(F)c3)c(Cc3ccccc3)c2O)n1 1772588160 UAORNNHBLHFXKG-UHFFFAOYSA-N 413.405 4.269 0 1 HIAF O=C(Nc1cc(Cl)ccc1N1CCC(CO)CC1)c1csc2cccnc12 1772604519 ZJRFNPOGSVARFQ-UHFFFAOYSA-N 401.919 4.411 0 1 HIAF C[C@]1(F)CC(F)(F)[C@@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)NC1=N 1772604654 OKTQKJMRIBXJQN-ZWKOTPCHSA-N 412.362 4.161 0 1 HIAF Cc1cc2nc(N3CCNCC3)n(Cc3ccc(F)c(C(F)(F)F)c3)c2cc1C 1857639038 GVWYWQLZKQWCSE-UHFFFAOYSA-N 406.427 4.269 0 1 HIAF C[C@@H](CC(=O)O)c1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)c1 1857640809 OSJXLDOVNXZNHD-NSHDSACASA-N 406.360 4.206 0 1 HIAF O=C1OC[C@H]2CCN(Cc3ccc(OC(F)(F)F)cc3)Cc3ccc(F)cc3N12 2356380300 ZRJQHQFGFKFZEP-MRXNPFEDSA-N 410.367 4.455 0 1 HIAF CC(C)[C@@H]1CC[C@@]2(C)[C@H]1C[C@@]1(O)[C@@H]([C@H](C)CC[C@@]34[C@H](CC[C@H]3C)[C@@]41C(=O)O)[C@H]2O 2356429431 UNEUBHPEGNVSJI-TYSMGQSLSA-N 404.591 4.334 0 1 HIAF Cc1ccc(NC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CCCCC3)cc1 4906921 PCAAPIJWXOJZEZ-UHFFFAOYSA-N 400.500 4.381 0 3 HIAF C[C@@]1(C(=O)NCCc2c[nH]c3ccccc23)CCN1Cc1ccccc1OC(F)F 61926984 KTMIIGRLNDOOPL-QHCPKHFHSA-N 413.468 4.093 0 3 HIAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCCOc2ccccc2)cc1 2480591 ALSWIXQZBFIAPS-UHFFFAOYSA-N 404.422 4.419 0 1 HIAF CC(=O)O[C@@H]1C[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c3ccc(O)cc3)CC(C)=CC[C@]21C 13432389 CHQMIQBQLGDCJJ-VVBFRCHSSA-N 416.514 4.003 0 1 HIAF biogenic CCN(C(=O)C1CC1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28127479 JIMWYEJSOABYDB-UHFFFAOYSA-N 416.506 4.452 0 1 HIAF O=S(=O)(c1ccc(C(F)(F)F)cc1)n1cc(C2=CCNCC2)c2ccccc21 28129910 XFEBURFOMGQFOT-UHFFFAOYSA-N 406.429 4.274 0 1 HIAF CC(C)c1ncc(CCC(=O)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28567986 FOHFIUWBLJLUNE-UHFFFAOYSA-N 424.341 4.325 0 1 HIAF Cc1ccc(-c2nc(CC3CCCCC3)cs2)cc1S(=O)(=O)N1CCOCC1 40403814 OGNXMBCUTKGOQT-UHFFFAOYSA-N 420.600 4.262 0 1 HIAF NC(=O)c1ccc2c(ccn2-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 45367379 JQHZQFDDARBYAD-UHFFFAOYSA-N 424.382 4.396 0 1 HIAF O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(I)cc12 64526354 LHZRRFPLRXPXFH-UHFFFAOYSA-N 420.128 4.040 0 1 HIAF O=C(Nc1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72103494 CJIUNPOFGYAIHU-OAQYLSRUSA-N 407.905 4.069 0 1 HIAF COc1ccccc1CCNc1ncc(C(=O)N2CCCCC2)c(-c2ccccc2)n1 82133485 HXCIVNLAHASFIX-UHFFFAOYSA-N 416.525 4.433 0 1 HIAF Cc1cccc2cc(Cn3nc(C(C)C)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12 88346128 YYBJRVIFVYEBHE-UHFFFAOYSA-N 424.508 4.193 0 1 HIAF CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(C(F)(F)F)nn32)cc1OC 102486496 OFZXMOVBMDFXCD-INIZCTEOSA-N 408.380 4.376 0 1 HIAF CCN(CC)C[C@H](O)COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O 103202928 XOYITCALCICNBY-KRWDZBQOSA-N 407.466 4.288 0 1 HIAF O=C(Nc1nc2c(s1)CCCC2)N1CCC(N2CCc3ccc(F)cc32)CC1 103241486 MAOIZDNDCRXLFG-UHFFFAOYSA-N 400.523 4.220 0 1 HIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CCc4cc(C(F)(F)F)ccc43)cccc21 145684486 TVJKKOBMRXXBNG-QGZVFWFLSA-N 401.388 4.366 0 1 HIAF CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)C(C)(C)C)n2c1COCC2)c1ccccc1 146094803 JOUNHEJKIACMRX-VQIMIIECSA-N 411.546 4.064 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3cnn(C)c3)cc2)n1 205147912 AGSQVFXRDDNSQD-HNAYVOBHSA-N 406.490 4.031 0 1 HIAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)nc(NCc3nnc(C)s3)c2Cl)nc1 205808110 QDKKCDOWLNRECK-KGLIPLIRSA-N 416.938 4.096 0 1 HIAF Cc1ccc(NC(=O)c2nccnc2C(=O)NCc2ccc(-c3cccnc3)cc2)cc1 299822237 HWQRFKGTEGABDR-UHFFFAOYSA-N 423.476 4.029 0 1 HIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 586879295 NUFLODUAQOYWSS-UHFFFAOYSA-N 409.243 4.408 0 1 HIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 586915816 ILPUFDHWGSACIK-VOJFVSQTSA-N 404.239 4.076 0 1 HIAF CCCOc1cc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2cc1Br 586927867 XADATTKVOYFGAH-UHFFFAOYSA-N 409.305 4.185 0 1 HIAF COc1cc(OC)c2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc2c1 586961232 SZDNSIHIPUONTP-VWLOTQADSA-N 423.332 4.083 0 1 HIAF O=c1c(-c2nc3cc4[nH]ncc4cc3[nH]2)cc(Br)cn1Cc1ccccc1 587006816 SUBCYRBNRDYSEW-UHFFFAOYSA-N 420.270 4.079 0 1 HIAF CC(C)Oc1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br 587094214 NCCQSLVTVVBUSK-MRVPVSSYSA-N 408.218 4.242 0 1 HIAF COC(=O)c1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 587113804 LVVSGYKLQCPBIC-UHFFFAOYSA-N 423.416 4.240 0 1 HIAF C[C@@]1(c2ccc3c(c2)OCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351301 UDZHFEWHGVGEDB-VWNXMTODSA-N 419.408 4.137 0 1 HIAF CC(C)OC(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587704695 JLELCMYJGVPXQU-RFAUZJTJSA-N 412.221 4.222 0 1 HIAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2oc(N)nc2c1 587744762 IKMBBQYXHCTYFC-DGIBIBHMSA-N 404.283 4.418 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O[C@H](C)C(=O)O)c2)N1 587796237 SNWXJCKKXOTOAS-HTGLOVNISA-N 422.294 4.238 0 1 HIAF CSc1ncc2c(n1)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587847211 SRNXDHFDYZGGIH-MLCYQJTMSA-N 408.340 4.214 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1cc(Br)c(C)n1 587869675 PHQKYJXMUSANHH-UHFFFAOYSA-N 421.270 4.086 0 1 HIAF CC(=O)c1ccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3cn2)s1 653758412 YSTKCRDOQXTSNC-UHFFFAOYSA-N 402.479 4.220 0 1 HIAF COc1ccc2c(c1)[C@](c1ccccc1)(c1cccnc1C(=O)O)N(C(C)C)CC2 962088253 FQASETKKFRTNPF-VWLOTQADSA-N 402.494 4.347 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc([C@H]3CCCCO3)o2)N1 962705541 NUACNBQDMAILNA-HDMKZQKVSA-N 413.367 4.367 0 1 HIAF CCOC(=O)CCCC[C@]1(c2ccc(C)cc2)c2ccsc2CCN1C(N)=O 962716636 WYKSRSFWFUEXAS-QFIPXVFZSA-N 400.544 4.360 0 1 HIAF COc1ccc2c(c1OC)[C@H](c1ccc(Cl)cn1)N(C(=O)c1ccccc1N)CC2 963151767 HBIVEEKYFBSDFL-NRFANRHFSA-N 423.900 4.122 0 1 HIAF Cc1ccc([C@@]2(c3cc(C)ccc3C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)nc1 963222054 KEJSGYGLUOZGPQ-SQHAQQRYSA-N 423.516 4.446 0 1 HIAF COc1cc(F)ccc1-c1nn(-c2cc(OC)c(OC)c(OC)c2)c2ncccc12 1911585396 KBPHRXBHMLNCCA-UHFFFAOYSA-N 409.417 4.261 0 1 HIAF O=C(O)C[C@H]1CCN(C2CCC(F)(F)CC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356305783 FVMDCXVHQGUIRS-ZIAGYGMSSA-N 409.452 4.235 0 1 HIAF CC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1 4890144 ZDZNKAVHIGYJDT-MRXNPFEDSA-N 418.519 4.042 0 3 HIAF CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1 82149050 GFKDVMSTTKOYOX-UHFFFAOYSA-N 414.469 4.407 0 3 HIAF CN(c1nc2c3c(ccc2[nH]1)C(C)(C)C(=O)NC3=O)c1c(Cl)cccc1Cl 13475190 VKEPKHFYVQVYON-UHFFFAOYSA-N 403.269 4.185 0 1 HIAF COc1ccc(CC2=C(c3ccccc3)C(=O)O[C@@]2(O)c2ccc(OC)cc2)cc1 13740964 GCLJDQQEPIRTNF-VWLOTQADSA-N 402.446 4.102 0 1 HIAF CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CC[C@H](O)C4)cc3)cc2)CC1 28760629 ZRDMIXKRGONFQT-DEOSSOPVSA-N 422.569 4.061 0 1 HIAF Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCc4cccs4)cc[nH]c3=O)nc12 28893880 BFNPSCVQRMUDIX-UHFFFAOYSA-N 416.510 4.128 0 1 HIAF COC(=O)/C1=C\CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2C[C@H](OC(C)=O)/C(C)=C/CC1 40860588 JQCWXJKSJTVECI-ZODXQVSFSA-N 402.487 4.116 0 1 HIAF COC(=O)C(C)(C)c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 45188446 MARKFAUFCFINOE-MGPUTAFESA-N 423.475 4.410 0 1 HIAF Nc1nccc(-c2ccc3nc([C@@H]4COc5c(Br)cccc5C4)[nH]c3c2)n1 48999201 ILTFMDQECSAXKB-ZDUSSCGKSA-N 422.286 4.083 0 1 HIAF CCCCN1C(=O)N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223917 WUQWDDFUUHHMOQ-DFBJGRDBSA-N 415.493 4.392 0 1 HIAF CCCCN1C(=O)N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223919 WUQWDDFUUHHMOQ-UQBPGWFLSA-N 415.493 4.392 0 1 HIAF COc1cc2nc(NCCCCCO)nc(NC[C@@H](C)c3ccccc3)c2cc1OC 82126133 BRRWWLYNFQSDFD-QGZVFWFLSA-N 424.545 4.437 0 1 HIAF CCCCNC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccc(F)cc1 82139377 AMZJTVVADZEJKL-UHFFFAOYSA-N 422.504 4.476 0 1 HIAF CC(=O)NCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 82166270 PHHYZOAUOCQAFL-UHFFFAOYSA-N 405.483 4.075 0 1 HIAF F[C@@H]1CCNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12 96175082 ABZNMUCRZXRUAU-QUCCMNQESA-N 417.488 4.291 0 1 HIAF Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4n[nH]c(=O)n4C=N[C@@H]32)cc1 98085190 KPZOFQJHILWGHO-LADGPHEKSA-N 419.488 4.268 0 1 HIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(OCC(F)F)c1 167124623 KYSCRMHLIVJYBV-YOEHRIQHSA-N 405.441 4.457 0 1 HIAF Cc1ccc(NS(=O)(=O)N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)cc1 169351022 QSHLDOYFBVHASV-INIZCTEOSA-N 417.339 4.233 0 1 HIAF CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)[C@@H](C)F)cc3)C2)ccn1 169709409 KTXAIHNWJXPDOK-LLGFUMIMSA-N 415.509 4.062 0 1 HIAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)ss/c2=N/O)cc1 216142940 LIWXZTRTIQLVAW-FMQUCBEESA-N 405.497 4.468 0 1 HIAF COc1ccc(C=O)c2cc(-c3nc4c(I)cccc4[nH]3)oc12 586902790 CDZSHXWOFKYQDW-UHFFFAOYSA-N 418.190 4.402 0 1 HIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c(O)c1 587240850 PWEBSOISLLEPJH-UHFFFAOYSA-N 401.422 4.123 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(c4cc(Br)ccc4OC1(C)C)[C@@H](C2)C3=O 587420085 WGGXBSBEUXURHY-XOBRGWDASA-N 401.256 4.272 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1OCc1ccccn1)[C@@H](C2)C3=O 587436016 LVEZAXBMNKEPGH-YADARESESA-N 403.434 4.167 0 1 HIAF C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532055 MNJIJJIDQBPCEE-NRFANRHFSA-N 404.915 4.417 0 1 HIAF COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587590330 BZHBQRLZHVTQDM-ZJSXRUAMSA-N 406.434 4.372 0 1 HIAF CCOP(=O)(C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC 587608693 RVSMZSKBTFMGRQ-XLIONFOSSA-N 406.371 4.379 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCSCC2)nc1 587619096 QUCDLCAAIGJKBG-NFBKMPQASA-N 420.490 4.043 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Br)nc1 587652972 AGPFQDYBZQKYBL-UHFFFAOYSA-N 414.209 4.488 0 1 HIAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1C=O 587808222 PRNOAYHFAFXARM-DGIBIBHMSA-N 408.267 4.042 0 1 HIAF COc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCCO2 587835594 QJLHMGBQDKOJQY-YBTHPKLGSA-N 422.294 4.382 0 1 HIAF CCCNC(=O)C[C@H](C1CCCCC1)n1cc(Nc2ncc(Cl)c(NC)n2)cn1 653856871 VGDMQYOGMLJPFL-QGZVFWFLSA-N 419.961 4.150 0 1 HIAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@H]3c3ccnn3-c3ccccn3)C2)cc1 962648399 XPRCVMWFFRHECI-NVQXNPDNSA-N 407.521 4.104 0 1 HIAF CN1CCC([C@]2(c3ccccn3)c3ccsc3CCN2Cc2cccnc2)CC1 962999348 QPVMTTSFSGZQTB-XMMPIXPASA-N 404.583 4.182 0 1 HIAF CCOc1ccc2cc(-c3nn(CC4CCOCC4)c4ncnc(N)c34)ccc2c1 1857590142 XQDXYVGJQQZZRG-UHFFFAOYSA-N 403.486 4.054 0 1 HIAF Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccccc3)c(C(=O)NC3CCCCC3)n2c1 1857593704 DUYFLYYJUVEXQK-QGZVFWFLSA-N 420.513 4.111 0 1 HIAF CN(Cc1ccccc1OCCCOCC(=O)O)C(=O)c1ccc(-c2ccco2)cc1 1857761257 CZPNZUOPZYHHNB-UHFFFAOYSA-N 423.465 4.089 0 1 HIAF CC1=C[C@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 2356507986 NDGRNCICOWAOKE-UXLLHSPISA-N 409.983 4.163 0 1 HIAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCCC(=O)O 2356732873 CFRBBWPHUQTQFD-PCCBWWKXSA-N 423.594 4.401 0 1 HIAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4049411 GUJNNORKEPTGQD-ZCYQVOJMSA-N 415.537 4.390 0 1 HIAF O=S(=O)(Oc1ccc(O)cc1)[C@H]1C[C@H]2O[C@@H]1C(c1ccccc1)=C2c1ccccc1 13675756 WGUNGSLOGCNJMP-DPLHUUCSSA-N 420.486 4.252 0 1 HIAF CCN(CC)C(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1 13779651 OWBKZJDQODQYJR-UHFFFAOYSA-N 409.574 4.278 0 1 HIAF CN(C)c1ccnc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 13782303 SCZBRERNCHTBCT-UHFFFAOYSA-N 421.372 4.096 0 1 HIAF COc1cc2nc(Cl)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC 27422192 BGELEWUZJIZYDM-UHFFFAOYSA-N 405.838 4.070 0 1 HIAF COc1c(NC(=O)c2cc3ccccc3o2)cc(C(C)(C)C)cc1NS(C)(=O)=O 28710591 IVXMEVOZMNWEFC-UHFFFAOYSA-N 416.499 4.363 0 1 HIAF CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@](C)(O)[C@H]2COc1ccc2ccc(=O)oc2c1 39314947 WNANPKYNOALKIV-ULSZTJCNSA-N 400.515 4.136 0 1 HIAF O=C(Nc1cc(Br)c(O)c(Br)c1)c1c(F)cccc1F 40424744 MOADKRJIZAGOAW-UHFFFAOYSA-N 407.008 4.448 0 1 HIAF Nc1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1 40874148 ZHAZFRYZSCGESN-UHFFFAOYSA-N 413.412 4.365 0 1 HIAF CCCN(Cc1ccc(Cl)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40915649 IWSRHYWQGQJZFL-OAQYLSRUSA-N 420.891 4.010 0 1 HIAF Fc1ccccc1Cn1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21 45364758 SPAKBFOXUYBPRT-UHFFFAOYSA-N 403.461 4.199 0 1 HIAF CC[C@@H](Cn1ccc2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl 59083177 RXEIQMFFHIVGLD-AWEZNQCLSA-N 412.342 4.287 0 1 HIAF COc1cc(-c2nc(N(C)CC(C)C)ncc2-c2ncc(C)o2)cc(OC)c1OC 82166760 MUPCCWKTHZURCI-UHFFFAOYSA-N 412.490 4.225 0 1 HIAF Cc1ccc(CNc2ncnc3c2nc(-c2cccc(O)c2)n3C[C@H]2CCCO2)cc1 82179119 VSSTUIDQCIGGJV-HXUWFJFHSA-N 415.497 4.298 0 1 HIAF C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)c2ccccc2O1 96929123 VPRIEZAAWFVLOJ-NRFANRHFSA-N 410.836 4.097 0 1 HIAF C[C@@H](Cn1cc(-c2ccccn2)nn1)[C@@H]1CC[C@H](C[C@@H](C)OC(=O)c2ccccc2)O1 169297128 JMQXMAWLGSWGBC-QWIQJREVSA-N 420.513 4.159 0 1 HIAF Cc1cc(Br)c2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c2c1 586948651 QQQLSHXUWZYPAC-UHFFFAOYSA-N 408.321 4.451 0 1 HIAF COc1cc(Br)c([C@@H](N)c2nc3cc(C)c(Cl)cc3[nH]2)cc1OC 586976029 RZISRHQVGMDPQF-MRXNPFEDSA-N 410.699 4.353 0 1 HIAF FC(F)(F)[C@](F)(Cl)c1nc2c(Br)cnc(Br)c2[nH]1 587089914 IQUIFFHSQREFRG-ZETCQYMHSA-N 411.378 4.406 0 1 HIAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(N)c(N)cc4[nH]3)nc2n1 587115085 MWQTWMLQBBUONE-UHFFFAOYSA-N 421.452 4.193 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(Br)ccnc2[nH]1 587167918 ZVOPBENTRPOQPI-ZDUSSCGKSA-N 404.243 4.229 0 1 HIAF C[C@@]1(c2cccc(NC(N)=S)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378475 VLWAGXPIOZJDLX-REWPJTCUSA-N 422.481 4.461 0 1 HIAF CC(=O)Nc1ccc(Br)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587378590 VYCSDEWJZQFXNK-LJQANCHMSA-N 403.276 4.179 0 1 HIAF C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532060 MNJIJJIDQBPCEE-OAQYLSRUSA-N 404.915 4.417 0 1 HIAF COc1ccc2c(c1)nc([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)n2C 587755221 GXCYBGYVCPDAMA-MGNBDDOMSA-N 404.283 4.107 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2ccnc2)(c2ccccc2)N1 587758792 YGAMOFRDHHBYDR-XOBRGWDASA-N 400.295 4.263 0 1 HIAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O 587806553 JZSQMCRTITZCLK-OVWNDWIMSA-N 408.267 4.146 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1n[nH]c2c1CCCC2 587866770 OXRWDIASDWQJSW-UHFFFAOYSA-N 404.392 4.258 0 1 HIAF CO[C@@H]1C[C@]2(CC[C@]3(CCC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]43C)O2)[C@@H](OC)O1 2356394833 HUSWIFOINKVFAU-BHZCRBCESA-N 410.551 4.198 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H](CC(=O)CN[N])[C@@]4(C)CC[C@@H]32)C1 2356871139 XXWKTKJWDCUYLJ-UTBSLFKBSA-N 400.563 4.030 0 1 HIAF CCOc1cccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1 12373264 FOVOCRKYCOLGMN-UHFFFAOYSA-N 408.542 4.365 0 3 HIAF CC(=O)Nc1ccc(CN2C(=O)[C@H](C)ON=C2c2ccccc2-c2ccco2)cc1 61908930 HISMQDJIMZHZDR-HNNXBMFYSA-N 403.438 4.014 0 3 HIAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4212228 FLKLMFOVJUXKRI-HSQYWUDLSA-N 403.567 4.166 0 1 HIAF C=C1C[C@@H]2O[C@]2(C(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)C1=O 6482635 KEHKYFDJRGIKNE-BRZFTBGQSA-N 424.537 4.097 0 1 HIAF COc1ccc(C2=NN(CCCCCCN(C)C)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474092 ODTMPGUGTQXMBN-VQTJNVASSA-N 415.578 4.179 0 1 HIAF COc1cccc(CCN2CCN(c3ccccn3)CC2)c1OCCc1ccccc1 13795866 MKQDBWIOXMWPGB-UHFFFAOYSA-N 417.553 4.076 0 1 HIAF Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1C 13941172 AMZDKPJJASZWNB-BAQFTCBDSA-N 412.489 4.113 0 1 HIAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN(CC3CC3)CC2)cc1 22939779 ZURGORQLJYCBIM-VWLOTQADSA-N 405.586 4.286 0 1 HIAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NC1CCCCC1 25430178 LQGYZOLHFCESFG-MSOLQXFVSA-N 401.551 4.414 0 1 HIAF biogenic CCCCC(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 26568691 LLBBNTQWUGSPGK-OXQOHEQNSA-N 413.539 4.304 0 1 HIAF CC[C@H](C)COc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1 26832101 QXKXXNSMWCHTGY-HNNXBMFYSA-N 416.465 4.405 0 1 HIAF C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 38319850 PZBFWVXPFCYQDZ-OAHLLOKOSA-N 420.550 4.305 0 1 HIAF CSCC[C@H](Nc1nc(-c2ccc(C)c(C)c2)cs1)C(=O)NC[C@@H]1CCCO1 82192791 VWEFVUULPTXRLR-ROUUACIJSA-N 419.616 4.256 0 1 HIAF CC(C)(C)OC(=O)NCCCNc1cccc2ccc(-c3nnc4ccccn34)nc12 96174950 VITNSTILUOCOPL-UHFFFAOYSA-N 418.501 4.271 0 1 HIAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(O)CCCC2=N1 103539700 JTQGNTCGDROJTI-IBGZPJMESA-N 420.431 4.372 0 1 HIAF Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)N(C)C)CC3)cc12 114710979 OKYQLPWJMVIOLC-UHFFFAOYSA-N 416.591 4.288 0 1 HIAF O=C(NCC1CC1)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1 143154208 GKMKRWRHGQFUEC-UHFFFAOYSA-N 417.387 4.474 0 1 HIAF COc1ccc(CNC(=O)Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)cc1OC 205444575 GMZYGHWWCVDLJK-UHFFFAOYSA-N 421.432 4.103 0 1 HIAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 205473027 GDRAEFIYNHDTBL-DCDCTEPZSA-N 409.570 4.164 0 1 HIAF COc1ccc(CN2C[C@H]3CCC[C@H](N4CCCC4)[C@H]2CN3Cc2ccccc2)cc1 261157512 QGHZKNVBZNJZGF-FXVJXKIMSA-N 419.613 4.399 0 1 HIAF CCOC(=O)C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccs1 584905673 PKERYICWLBJVFG-CQSZACIVSA-N 420.899 4.474 0 1 HIAF in-vitro COc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1C 587002807 HFKSTYHKDNJUGO-LLVKDONJSA-N 401.260 4.278 0 1 HIAF Cc1onc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)c1COc1ccccc1Cl 587063192 HOUODLIELOABJL-UHFFFAOYSA-N 419.846 4.005 0 1 HIAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1 587085317 SLYLPCPIXAXUAM-UHFFFAOYSA-N 420.281 4.128 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2c1 587113272 VAZPKNGKUBGEDV-UHFFFAOYSA-N 402.170 4.136 0 1 HIAF Nc1cc(F)c(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1N 587135797 FGHICVBCLPYOMZ-UHFFFAOYSA-N 400.049 4.058 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nncs1)(c1ccc(F)cc1)O2 587383487 CIZHRNXTGBENQS-LJQANCHMSA-N 401.488 4.221 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(CNC(=O)OCc3ccccc3)CC1)O2 587385516 CWYIZMLCZLLUMQ-UHFFFAOYSA-N 408.498 4.398 0 1 HIAF CCOC(=O)COc1ccc2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587398875 GAQODVSDEZEINL-OAQYLSRUSA-N 405.450 4.379 0 1 HIAF CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587410883 REEPFUACUFYUQR-KRWDZBQOSA-N 400.283 4.369 0 1 HIAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420803 JDNGKWVHGUBGNL-SPLOXXLWSA-N 411.841 4.495 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1S(=O)(=O)CC)CC2=O 587484010 HKCAGOVDGMKQHW-SFHVURJKSA-N 408.903 4.498 0 1 HIAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCN1CCOCC1 587511106 DLMHZXJHNVPGHT-DEOSSOPVSA-N 408.542 4.022 0 1 HIAF Cn1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F 587558950 YLNXCDDBRVHTED-LPHOPBHVSA-N 404.344 4.022 0 1 HIAF CC(C)n1ncc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc21 587583703 WUYMESITQGTLRN-KNQAVFIVSA-N 401.422 4.421 0 1 HIAF CN1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(C=O)c21 587592693 IOZWZQIGVOWPGX-PXDATVDWSA-N 415.445 4.290 0 1 HIAF C[C@@]1(c2ccccc2N2CCOC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595130 OUPIEWHENYMGSZ-RDPSFJRHSA-N 417.417 4.226 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C(c2cccn2C)(c2cccn2C)N1 587757386 VHUPYILXPAISEI-ZDUSSCGKSA-N 402.311 4.091 0 1 HIAF CC(C)COC(=O)N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587771083 VFKMDXWZPPCMDN-ZDUSSCGKSA-N 413.331 4.206 0 1 HIAF COc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1 587777676 ISKIFMGCHLCIKT-OVWNDWIMSA-N 417.278 4.474 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)N3CCc4cccc2c43)N1 587792532 ORBWFFPVBKAECD-LAJNKCICSA-N 415.306 4.049 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c(O)nc2-c2ccccc2)N1 587793650 SAVJRLUPSXIULD-DYZYQPBXSA-N 402.267 4.308 0 1 HIAF CCN(C(C)=O)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587856115 YAFVWEMSOVSAPA-XXFAHNHDSA-N 412.328 4.041 0 1 HIAF COCCc1nc(C)c([C@]2(C)c3ccsc3CCN2Cc2cccn2C)s1 962369646 DURGQBGXTYOYGR-NRFANRHFSA-N 401.601 4.362 0 1 HIAF Cc1c(F)cccc1[C@@]1(CCCC(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962731414 RMDUMWXLKHCVGB-WIYYLYMNSA-N 423.406 4.278 0 1 HIAF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(F)cc1Cl 962967560 NSEJOSWOBKHUQO-LRDDRELGSA-N 406.187 4.108 0 1 HIAF COC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)NCCc2cnc3c(OC)cccc3c21 963054242 HYCSGBOVNKTEGQ-YADARESESA-N 424.928 4.290 0 1 HIAF C[C@@H](C[C@@]1(c2ccccc2F)c2cccc(Br)c2CCN1C)C(=O)O 963282807 XVPMCNQOOLJHTA-RBZFPXEDSA-N 406.295 4.431 0 1 HIAF CC(=O)Nc1ccc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)cc1 1857548795 YTVKWYJDZBANBB-UHFFFAOYSA-N 412.493 4.469 0 1 HIAF CC(=O)Nc1sc2c(c1-c1nc3cc4c(cc3s1)OCO4)CCN(C(C)C)C2 1857610613 ODHQTZNKNCODSI-UHFFFAOYSA-N 415.540 4.478 0 1 HIAF O[C@@H]1CC[C@H](Cc2cc(-c3ccccc3)on2)O[C@H]1CNCc1c[nH]c2ccccc12 2356299805 OMJJSVBAGHRXAL-XRODADMRSA-N 417.509 4.064 0 1 HIAF COC(=O)C1=CC=C(C(C)C)CCC2=CCC[C@@](C)(OC2=O)[C@H](OC(C)=O)CC1 2356378328 GCDVQIVAHBRSQZ-NFBKMPQASA-N 404.503 4.196 0 1 HIAF CC[C@@H](CC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=CCN=C1 2356848045 PBZCXBQHXWOGPF-AVRDEDQJSA-N 415.530 4.432 0 1 HIAF Cc1cc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12 600659 YMGNXXUWTUHJRZ-UHFFFAOYSA-N 420.332 4.173 0 1 HIAF COc1cc(C2=NOC(=O)C2=Cc2ccc(Cl)cc2Cl)cc(OC)c1OC 1099914 TYZKDFFAZOTJHK-UHFFFAOYSA-N 408.237 4.364 0 1 HIAF biogenic COc1ccc([C@@]2(CC(C)C)CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC 1859823 VVDPTPKPSDGQJK-HSZRJFAPSA-N 417.571 4.391 0 1 HIAF NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13672449 IVPJFFDELHCLRM-UHFFFAOYSA-N 412.881 4.039 0 1 HIAF CCN(CC)C(=O)c1ccc([C@H](c2cccc3ccccc23)N2CCNCC2)cc1 22450881 GDQOGZJEMVCJCK-RUZDIDTESA-N 401.554 4.316 0 1 HIAF O=C(N1CCCCC1)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72184693 UNIFPOREDOQZMZ-JOCHJYFZSA-N 412.965 4.484 0 1 HIAF COCCn1c(CCc2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188552 OSYSSFDCTKQHMX-IBGZPJMESA-N 415.541 4.474 0 1 HIAF CCC[C@@H](C)NC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 96922837 SOUKVVUNVQTGMB-OAHLLOKOSA-N 420.538 4.264 0 1 HIAF NS(=O)(=O)c1cc(-c2nnc(Nc3ccc(Cl)cc3)o2)c(Cl)cc1Cl 169351739 UDQBZJPMUAROSG-UHFFFAOYSA-N 419.677 4.088 0 1 HIAF CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C[C@@H](O)C(C)(C)O2 200972699 WNKJCPUTBOPIKI-LJQANCHMSA-N 422.477 4.454 0 1 HIAF COc1ccc(F)c(-c2cccc(C(=O)N[C@@H](CC(=O)O)c3ccccc3C)n2)c1 203323203 BTDHCUJOKIYCKY-NRFANRHFSA-N 408.429 4.151 0 1 HIAF COc1cc(F)cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)c1 221117025 KGZCBLRQLIBTRY-UOXRKKOCSA-N 408.445 4.147 0 1 HIAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)[C@H](OC)O1 238733762 YCGYYZXBHVNOIX-SXWXEPSRSA-N 424.578 4.444 0 1 HIAF CC1=CC(=O)O[C@@]1(O)/C=C/[C@@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@@]2(C)O1 238753711 JDGXUUFIFAKRTF-APWOFLCISA-N 418.574 4.276 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586987537 YLJBFYQJLNPOJP-CYBMUJFWSA-N 409.388 4.380 0 1 HIAF COc1cccc(CCC(=O)c2c(CO)oc3cc(Br)cnc23)c1F 587276484 QSMZQJGODJLYNL-UHFFFAOYSA-N 408.223 4.046 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCC4(CCN(C(=O)OC(C)(C)C)CC4)C1)[C@@H](C2)C3=O 587442285 IBWUIHPBJKAABY-BXKMTCNYSA-N 413.514 4.383 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccc(O)cc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587448940 NSALTYGJZPIEOG-KIVTUJJHSA-N 416.429 4.273 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(OC)cc1OC)CC2=O 587471650 UWLSOZVRDLBISZ-QHCPKHFHSA-N 413.470 4.115 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579312 DCVLGOGQZSDOQV-ZJSXRUAMSA-N 413.433 4.293 0 1 HIAF COC(=O)C[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587729517 HGDUVXFERZSIGQ-NSPYISDASA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccn3)C[C@H]2C)N1 587761105 OLLZUODCBCZVFV-VTJXTGGHSA-N 418.354 4.255 0 1 HIAF Cc1nn(-c2ccncc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587765823 UJAOVYXKFBQPOD-NSPYISDASA-N 401.283 4.101 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587774174 NFPWCFMKVWKHDC-XTQGRXLLSA-N 413.331 4.421 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)OCc3ccccc3)C2)N1 587802454 SDBZKXGWFCAIQQ-ONNZTUKZSA-N 418.306 4.471 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cncn1-c1ccccc1 587863414 ZVPZTQNXZRONCI-UHFFFAOYSA-N 412.371 4.452 0 1 HIAF CCN(C)C(=O)Oc1cccc([C@]2(C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1 962617125 BSUBDUIQXXLUGU-UPCLLVRISA-N 412.530 4.294 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]31C(=O)[C@H](c2ccccc2)Oc2ccccc21 963065016 IAOSVOSLRXKLMY-BDYUSTAISA-N 422.484 4.336 0 1 HIAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(F)cc1Br 963224413 BXJIAUIMINHGID-RBUKOAKNSA-N 415.262 4.133 0 1 HIAF COc1ccc2c(OCc3nnc4sc(-c5cccc(F)c5)nn34)ccnc2c1 1857766715 IARHLAICAZMQBA-UHFFFAOYSA-N 407.430 4.128 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13C[C@@H](C=C[C@H]21)[C@@](C)(O)C3 2356738325 JUJCSASCNCKTOP-GOQFTIIPSA-N 404.547 4.031 0 1 HIAF O=C1CSC2=NC3=C(COC/C3=C\c3ccc(F)cc3)[C@H](c3ccc(F)cc3)N12 1651523 VJVPBUBRMDUAHH-NMQRCDEWSA-N 410.445 4.319 0 1 HIAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 4205835 CRKLOCGSQWRXNQ-FYYLOGMGSA-N 420.896 4.207 0 1 HIAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4205843 CRKLOCGSQWRXNQ-GMAHTHKFSA-N 420.896 4.207 0 1 HIAF C[C@@H](NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccccc1 12586877 DNBSIUOZUWKDAY-UVQFAXKASA-N 420.347 4.141 0 1 HIAF O=C1Nc2cccc3c2[C@]1(CCCCN1CCC(O)(c2ccccc2)CC1)CCC3 13473702 DLBOGRHXFSWBTN-VWLOTQADSA-N 404.554 4.367 0 1 HIAF CC1=C2CC[C@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@]4(C)O)[C@@]2(C)Cc2cn(S(C)(=O)=O)nc21 26181647 ZAKWQKHIANOUEX-YFDXPDMFSA-N 418.603 4.014 0 1 HIAF CC[C@H](C)[C@]1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26495082 FITCWRIVYPXAGO-UIDQEFQQSA-N 424.497 4.284 0 1 HIAF Cc1cc(C)c(-c2cn(C)c3nc(N(CC4CC4)CC4CC4)n(C)c(=O)c23)c(C)c1 71329961 WNKSDBUMELEBBP-UHFFFAOYSA-N 404.558 4.491 0 1 HIAF COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2ccc(C)cc2)S3)c1 73298045 HXSWYGORRJZDOX-MRXNPFEDSA-N 403.305 4.373 0 1 HIAF O=C(N[C@@H](CO)CSCc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 82084492 DIPUSCUHLJVNNS-KRWDZBQOSA-N 418.971 4.488 0 1 HIAF CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCc3cccs3)ncnc21 82190260 ZUYSYIVTCIMYRI-KRWDZBQOSA-N 419.558 4.046 0 1 HIAF CC(C)C[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2c(n1)N(C(C)C)CN2 100443140 AORZPPKGLISEHV-MRXNPFEDSA-N 404.946 4.290 0 1 HIAF Cc1ccc(C)c(C2=C(OC(=O)c3ccccc3C)C3(CCC(=O)CC3)NC2=O)c1 103171912 NBVGKJWEBYMIDJ-UHFFFAOYSA-N 403.478 4.192 0 1 HIAF COc1ccc(CC2(Cc3ccc(OC)cc3)C(=O)Nc3ccccc3[C@H]2O)cc1 169346088 URAJSHWKOOPDIF-HSZRJFAPSA-N 403.478 4.161 0 1 HIAF CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3C=C(C)CC[C@@H](OC(C)=O)[C@@]12C 254058098 ZJOXMWJKQWLNFX-UOAPUEHGSA-N 416.514 4.194 0 1 HIAF Cc1cnc(Cl)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc12 586938859 RNQYYPFUFWNNFV-ZDUSSCGKSA-N 413.330 4.249 0 1 HIAF COc1cc(-c2nc3c(C)c(Br)cnc3[nH]2)nn1-c1ccccc1F 587156851 SZCCPCOAFBJAOA-UHFFFAOYSA-N 402.227 4.029 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(CC(=O)O)ccc2COc2ccccc21 587410608 YSQJDNPHTJQZQU-VWLOTQADSA-N 415.445 4.006 0 1 HIAF COc1cc2c3c(c1)O[C@](C[C@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)[C@@H](C2)C3=O 587437846 LSIYRWIFFJUAPE-SDWUMEBZSA-N 413.514 4.381 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4occc4C(=O)O)c1)[C@@H](C2)C3=O 587456897 YIBFTEKSCNIUJS-JTSKRJEESA-N 406.390 4.054 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3cnn(C)c3)cc1)CC2=O 587474418 DQKIGEDHLAJODB-NRFANRHFSA-N 406.438 4.004 0 1 HIAF COc1cc(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC(=O)O 587501558 PAWUZSFAOJUENT-SFHVURJKSA-N 416.857 4.397 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1N1CCOCC1 587555920 HWUOAYBXLDAMHZ-RDPSFJRHSA-N 421.424 4.071 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCN(C)C)(c2ccc(O)cc2)N1 587741374 MWMLDZSUDNLDCI-RBZFPXEDSA-N 407.327 4.023 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)OC(C)(C)C)CC2)N1 587770188 QYESRGZAASUTGI-LBPRGKRZSA-N 413.331 4.349 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789515 DPMOSQJYWDTGPG-ZRNGKTOUSA-N 407.283 4.037 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587802338 LGWIPMZBKZBJHZ-ZRNGKTOUSA-N 407.283 4.037 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC3C[C@H]2CC(C(=O)O)(C3)C1 587824957 DVTFMMUTAKBDHI-CXDLXDAJSA-N 408.311 4.229 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(C(=O)O)ccc1OC2(C)C 587828892 AURYZZLVHVXMPY-SBKAZYGRSA-N 420.278 4.235 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(Cl)s2)N1 587848980 QLFGPQQDZPEBMS-NZFNHWASSA-N 404.688 4.166 0 1 HIAF COc1ccc2c(c1OC)[C@H](c1ccc(O[C@H](C)C(=O)O)c(Cl)c1)N(C)[C@H](C)C2 962642213 YWBIFOLEGAGBLZ-IZDJOXEWSA-N 419.905 4.175 0 1 HIAF COc1cc2c(cc1OC)[C@@](C)(c1ccc(Oc3ncccn3)cc1)N(C)[C@H](C)C2 962642747 ZTJIUXAPNKLCLU-VOIUYBSRSA-N 405.498 4.426 0 1 HIAF COc1ccc(-c2noc([C@@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)n2)cc1 962717480 UYHDCHNHGNUQKX-QRWLVFNGSA-N 411.502 4.337 0 1 HIAF Oc1ccc(I)c([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963101359 RFVFIOGDVCCVMI-KPZWWZAWSA-N 409.242 4.246 0 1 HIAF CC(=O)C[C@]1(c2ccsc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184081 PXPBZQMOOYELGH-DOTOQJQBSA-N 417.836 4.242 0 1 HIAF O=C(Nc1ccccc1)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963231858 RPQOLYGASBKYTL-DNQXCXABSA-N 423.472 4.175 0 1 HIAF O=C(N[C@@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1F 1857558632 QIGYTWGQZLXCGV-QHCPKHFHSA-N 413.452 4.371 0 1 HIAF CCOC(=O)[C@@H](C(=O)c1ccc(OC)cc1)[C@H](NC(C)=O)c1ccc(C(C)C)cc1 1857613701 LUZRWMPOZXDGLK-FGZHOGPDSA-N 411.498 4.058 0 1 HIAF O=C(Nc1ccncc1)c1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2)on1 61908300 PJQNAOQKWRNLOP-FQEVSTJZSA-N 404.470 4.008 0 3 HIAF CCc1cnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn2c1C 13861609 XHBBXIGNJOQYFO-UHFFFAOYSA-N 409.486 4.477 0 1 HIAF O=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 23360893 KHBBVPNKEBAUQS-UHFFFAOYSA-N 414.549 4.293 0 1 HIAF O=C(O)c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCCC2)cc1 27561014 IBRWJUMCMGLUKN-UHFFFAOYSA-N 400.906 4.391 0 1 HIAF CCCNC(=O)[C@H](CC(C)C)SC[C@H]1CCCN1C(=O)OCc1ccccc1 28096559 UPVVGIMUGKWOTB-UXHICEINSA-N 406.592 4.462 0 1 HIAF Cc1cc(C)c(-n2c3ncccc3n3c(CN4CCOCC4)c(C)nc23)c(Cl)c1 28903827 WJIMFWKSPBKAGE-UHFFFAOYSA-N 409.921 4.084 0 1 HIAF Fc1ccc(-c2[nH]c(C3CCN(C[C@H]4CNCCO4)CC3)cc2-c2ccncc2)cc1 29126005 DDEFZRNYGREUAG-JOCHJYFZSA-N 420.532 4.051 0 1 HIAF COC(=O)c1[nH]c(Br)c(-c2ccc(OC)c(OC)c2)c1Br 84668356 QZGWVICXWWJSHH-UHFFFAOYSA-N 419.069 4.011 0 1 HIAF O=c1ccoc2cc(OCc3cn(Cc4ccc(Cl)cc4Cl)nn3)ccc12 84706122 DQUYYGIQJJJUMU-UHFFFAOYSA-N 402.237 4.319 0 1 HIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(Br)cc3F)C2)cc1 96172957 GKYDXIURBAKTGQ-GFCCVEGCSA-N 407.283 4.333 0 1 HIAF CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1 96940083 TWIVXCFEBRGEKY-UHFFFAOYSA-N 419.510 4.075 0 1 HIAF in-vitro O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@H]3CCC[C@H](C3)C2)c1=O 100617119 WKPMMJFYKKQWLO-YUNYCSSDSA-N 421.541 4.231 0 1 HIAF Cc1ccc(C(=O)O)cc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 103292902 BUZRGEATQCNXLP-UHFFFAOYSA-N 403.847 4.127 0 1 HIAF Cc1cc(C)cc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2N2CCOCC2)c1 201537859 RETIRAFILNVQDI-UHFFFAOYSA-N 416.930 4.174 0 1 HIAF COc1ccc2c(c1)c(CC(=O)O)c1n2C[C@@H](N(C)c2nc3cc(F)ccc3o2)CC1 203540960 FNLWHUAEBUDTJM-AWEZNQCLSA-N 423.444 4.009 0 1 HIAF COc1cn[nH]c1-c1cc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)ccc1C 218992708 PCVSEYJACCSRHP-UHFFFAOYSA-N 400.482 4.285 0 1 HIAF COc1cc(/C=C\c2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1Br 586975350 AYBABTPOCMJUSF-UITAMQMPSA-N 416.319 4.445 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 587031347 FMORSGVXSDJQIR-UHFFFAOYSA-N 401.513 4.229 0 1 HIAF Cc1csc([C@](O)(Cc2nc3cc(Br)cc(F)c3[nH]2)C(F)(F)F)n1 587095144 YITYLWPSFZGKIW-CYBMUJFWSA-N 424.217 4.222 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587150657 NIWQDOLJQUHVFK-LBPRGKRZSA-N 409.458 4.012 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Cl)c1S(=O)(=O)CC)CC2=O 587485075 JCJYDDZSCBLVNT-SFHVURJKSA-N 408.903 4.498 0 1 HIAF COC(=O)C[C@@]1(c2cccc(OC)c2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587527031 UIKMWFUXWXTFDN-XMMPIXPASA-N 410.466 4.006 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(F)cc2)c1 587569726 JADIHOZPPZYUHO-REWPJTCUSA-N 402.381 4.420 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581485 LKKFWGHTAGQBBF-XMSQKQJNSA-N 407.470 4.018 0 1 HIAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC 587596162 UXXXHIIDLZEDCW-HYBUGGRVSA-N 422.433 4.295 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)n2)N1 587683374 OVRFEBCBUUFLFN-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF CCOC(=O)Cc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794864 HTVYTCUNXDFYJC-YEJXKQKISA-N 420.322 4.492 0 1 HIAF COc1cccc(C2(c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)CCCC2)c1 587933621 SWTCSMUYSGXUDL-UHFFFAOYSA-N 402.498 4.187 0 1 HIAF O=C(NC(=O)c1c(O)cccc1O)N[C@@H]1c2ccccc2-c2cc3ccccc3cc21 653794398 IKLAEXJHOQNOLV-HSZRJFAPSA-N 410.429 4.460 0 1 HIAF COc1cccc(CCC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)c1 653825913 NKRNTRPFOBTOTB-NRFANRHFSA-N 408.450 4.060 0 1 HIAF CCNC(=O)c1cccc(-c2ccc([C@@H]3NCCc4c(C(=O)O)cccc43)cc2)c1 963129518 GCPMLOQQCPDIAF-QHCPKHFHSA-N 400.478 4.037 0 1 HIAF Cc1ccc([C@]2(Cc3ccncc3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963227073 MEXLCXMTZBFFQX-RSXGOPAZSA-N 409.489 4.023 0 1 HIAF Cc1cc2c(cc1O)[C@](C)(c1sc(-c3cccc(F)c3)nc1C)N[C@H](C(=O)O)C2 963472958 QJBQQYOKLXFQNY-HTAPYJJXSA-N 412.486 4.134 0 1 HIAF COc1ccc(N[C@@H]2CCc3nnc(C)n3-c3ccc(-c4ccc(=N)[nH]c4)cc32)cc1 1857589074 JEVNVUIIIAJZTE-OAQYLSRUSA-N 412.497 4.158 0 1 HIAF COC(=O)C[C@H]1c2ccccc2C=C(C=Cc2ccc3c(c2)OCO3)N1C(=O)OC 1857622547 BADWNVHEGXMHGT-IBGZPJMESA-N 407.422 4.156 0 1 HIAF COc1ccc(Cl)cc1[C@H](C)NC(=O)N(C)S(=O)(=O)c1ccc(Cl)cc1 1857744337 POIRKEBZBXOTPZ-NSHDSACASA-N 417.314 4.093 0 1 HIAF CC1=C[C@H](CNC(=O)CC(C)(C)C)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356751056 RHESPXCWHWZSEO-BHDDXSALSA-N 413.606 4.495 0 1 HIAF C[C@@]1(C(=O)NCc2cccc(OC(F)(F)F)c2)CON=C1c1cccc(Cl)c1 772441 GYEQRZOEDDIPSE-GOSISDBHSA-N 412.795 4.296 0 1 HIAF CCOc1ccccc1N1CCN(C(=O)C2CCN(CC3CCCCC3)CC2)CC1 6418767 YKEJSUXICFMCOQ-UHFFFAOYSA-N 413.606 4.026 0 1 HIAF CC(=O)Oc1ccccc1C(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26576233 ZBYFGMLAGLKASZ-JOCHJYFZSA-N 416.433 4.283 0 1 HIAF C[C@H](CNC(=O)NCCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1 43120894 MRMHWVPMNQYVJE-GOSISDBHSA-N 402.494 4.269 0 1 HIAF COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1(C)C 71318987 OANNATBPNVWBED-UHFFFAOYSA-N 424.932 4.480 0 1 HIAF FC(F)(F)c1ccc([C@@H](NC2CCN(c3ncccn3)CC2)c2cccnc2)cc1 72101332 ZWWJQDYHGWJNKT-HXUWFJFHSA-N 413.447 4.238 0 1 HIAF O=C1CCCN1C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1 95562606 LZLBZTIIVTZXDK-UHFFFAOYSA-N 408.527 4.070 0 1 HIAF CC[S@@](=O)C(=O)N(CCCC[S@@](C)=O)Cc1ccc(-c2ccccc2)cc1 96930143 PVJJMDLDEBSCNI-SVBPBHIXSA-N 405.585 4.203 0 1 HIAF Cc1ccc(-n2ncc3c2C(C)(C)CCN(C2[C@H]4CC5C[C@H]2CC(O)(C5)C4)C3=O)cc1 101668431 PIPBSWYQEPJYPD-CSIGTHSRSA-N 419.569 4.244 0 1 HIAF C/C=C/c1cc(OC)c(O[C@@H](C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 136066601 KDGYLZNIUHEJCM-VFNNOXKTSA-N 416.470 4.413 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1ccc(C)cc1C 261168708 SMZXSVMEGDWBCD-FQEVSTJZSA-N 422.456 4.459 0 1 HIAF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc(Cl)cc2)NC(=S)N1 299861484 LMNNREGZFWTMTA-INIZCTEOSA-N 414.943 4.381 0 1 HIAF Cc1cc2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)[nH]c2cc1C 586944466 RSLLUZNQMRDRGI-UHFFFAOYSA-N 411.552 4.429 0 1 HIAF CN1CCN(c2ccc3nc(-c4nc(Br)sc4C4CC4)[nH]c3c2)CC1 587012941 OYQAXAMAZLIMGA-UHFFFAOYSA-N 418.364 4.078 0 1 HIAF Cc1cc(Br)c2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 587093365 DAABYOKIFJNBTO-AWEZNQCLSA-N 420.254 4.391 0 1 HIAF Cc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1C 587171434 ZYKPENGFOSTQKK-OAQYLSRUSA-N 409.486 4.387 0 1 HIAF Cc1ccc(Cn2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc(Cl)c2=O)cc1 587382384 PJEQRQPLKFXIHV-NRFANRHFSA-N 408.885 4.456 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)ccc1NC(C)=O)[C@@H](C2)C3=O 587416454 BJMZKBDWGDAOQK-YWZLYKJASA-N 416.271 4.079 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1CC3C[C@H]2CC(C(=O)O)(C3)C1 587606250 DEMYAGNAUXODHX-GKAKKXPDSA-N 406.434 4.004 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3ccnc3)cc2)N1 587752802 GFHYZYOMZRQSNB-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC 587807339 NBVAXPLZMVQFFB-XTZNXHDOSA-N 410.283 4.238 0 1 HIAF COC(=O)[C@H](C)[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587811425 WWOMFJRWPOFCST-HKZYLEAXSA-N 420.322 4.370 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cnn(C)c3)s2)N1 587853431 MXAVGPQOEJLIGJ-FVMDXXJSSA-N 407.312 4.069 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(Cl)c(C(F)(F)F)nn1C 587871379 VJNOKPSEKSJPHB-UHFFFAOYSA-N 416.762 4.182 0 1 HIAF Cc1ccc2c([C@@H]3N[C@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)c(C)n(C)c2c1 962626632 DBJULZVQWJWSBL-FXAWDEMLSA-N 418.415 4.382 0 1 HIAF COc1ccc2c(c1OC)[C@@](CC(=O)C(F)(F)F)(c1ccc(C)o1)N(C)[C@@H](C)C2 962626850 NHQXNXPYZOECEH-FKIZINRSSA-N 411.420 4.247 0 1 HIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1c(I)ccnc1F 963094462 MGRNJLNTRLHBRU-BLLLJJGKSA-N 412.221 4.074 0 1 HIAF COc1ccc([C@@H]2c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)s1 963159027 OZRJSWZZYYBARI-OAQYLSRUSA-N 424.522 4.144 0 1 HIAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@H]1CC[C@@H](C)CO1 1772631483 SUECNHKSTARKJF-CXAGYDPISA-N 416.522 4.037 0 1 HIAF Cc1nc(=O)c2c(C(F)F)nc(-c3c(-c4ccc(C(F)(F)F)cc4)n[nH]c3C)n2[nH]1 1772644330 KTTOSMPSKFXDGC-UHFFFAOYSA-N 424.333 4.048 0 1 HIAF CCNC(=O)N1[C@H](c2ccc(CC)s2)c2[nH]c3ccccc3c2C[C@@H]1C(=O)OC 1857653900 VWDFYICIOIUOKD-YLJYHZDGSA-N 411.527 4.010 0 1 HIAF O=C(N[C@@H](c1ccc(Cl)cc1)c1cnccn1)C1CCN(Cc2ccccc2)CC1 61904714 CUYHAIGMVIUJNR-QHCPKHFHSA-N 420.944 4.248 0 3 HIAF CCC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)c(F)cc1c2=O 61921264 ZGRZDYYHOXUCQR-GOSISDBHSA-N 405.404 4.402 0 3 HIAF O=S(=O)(O)c1cc2[nH]c(-c3ccc4ccccc4c3O)nc2c2c(O)cccc12 13475410 ZNSKLOJKWYJVIX-UHFFFAOYSA-N 406.419 4.194 0 1 HIAF O=C(O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1ccccc1 13560822 KDHFVBYARDIROU-NSHDSACASA-N 400.066 4.328 0 1 HIAF O=C(NCCCCc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1 13589103 BGOPAGLWCIUNMW-UHFFFAOYSA-N 402.538 4.477 0 1 HIAF CS(=O)(=O)N1[C@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 27433736 PKOKBTIPQRIEOB-YOFSQIOKSA-N 407.482 4.026 0 1 HIAF CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(C(=O)O)cc4)c3)c2C1 29054806 DWTFCQAYKJLHIY-MRXNPFEDSA-N 422.485 4.021 0 1 HIAF CCOC(=O)Cc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 29343029 XYULIKIBJYNXPC-UHFFFAOYSA-N 409.848 4.393 0 1 HIAF CC(=O)c1ccc(N2[C@@H](C)c3nc4ccccc4c(=O)n3[C@H]2c2cccc(O)c2)cc1 45299826 SFOMIHGBLXEVRX-OWJWWREXSA-N 411.461 4.433 0 1 HIAF Cc1cccc(-c2c(-c3ccc4ncccc4n3)cnn2Cc2cccc(C(N)=O)c2)n1 49802631 NXWSWDRZIKRYQN-UHFFFAOYSA-N 420.476 4.011 0 1 HIAF COc1cc(Cl)ccc1-n1ccc(CCC(=O)O)c1-c1ccc(C(N)=O)cc1C 71294601 DCLFANXVARIFQL-UHFFFAOYSA-N 412.873 4.231 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OC)co2)cc1 82073348 ZZCGJNKNGCEVFW-LJQANCHMSA-N 400.475 4.078 0 1 HIAF CCC/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O 85571572 LOVKMDKTRUJTIN-TVONZBCFSA-N 410.510 4.346 0 1 HIAF biogenic,in-vitro CC(=O)N1C[C@H]2C[C@@H]1CN2Cc1coc2cc(Oc3nc4cccnc4s3)ccc12 95596354 MCQDKCRFPCIJBM-HZPDHXFCSA-N 420.494 4.035 0 1 HIAF CCCCc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1 95603466 VXAPTHRGXVHZPC-UHFFFAOYSA-N 408.502 4.290 0 1 HIAF Cc1cc(OC[C@@H]2CCC[C@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)ccc1F 118680017 CFMVZRSEANQYHW-RBUKOAKNSA-N 422.504 4.425 0 1 HIAF COC[C@@H](C)NC(=O)c1cc(NC(=O)c2ccccn2)cc(-c2ccc(C)cc2)c1 142610734 CGFKGHBXIWQXSX-QGZVFWFLSA-N 403.482 4.074 0 1 HIAF N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C1 167808478 SSNMZFGVXQYUKP-KGLIPLIRSA-N 424.451 4.365 0 1 HIAF Cc1cccc(-c2nc(C[S@@](=O)CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)c1 169298722 CAYQJFAJADNEHO-KVBOQDEDSA-N 402.560 4.148 0 1 HIAF CCN(CC)CCC[C@H](C)N[C@@H](C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1 169342132 IQLAPNNGZXAPIV-GJZGRUSLSA-N 404.990 4.123 0 1 HIAF COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 169709704 OZYPBZNXLHWTBT-XJKSGUPXSA-N 409.408 4.175 0 1 HIAF O=C(c1ccccc1-c1cccnc1)N1CC[C@@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 261106350 HNGPNDUPZZQYMH-DVECYGJZSA-N 421.504 4.043 0 1 HIAF CCOC(=O)COc1c(-c2cc(Br)ccc2F)oc2ccccc2c1=O 299838290 ULLHOTRUXXDXJV-UHFFFAOYSA-N 421.218 4.304 0 1 HIAF Cc1ccc2c3c(c(C[C@H](N)C(=O)O)c(-c4ccccc4)nc13)-c1ccccc1C2=O 586995903 KJICEFIKOGKXMY-FQEVSTJZSA-N 408.457 4.376 0 1 HIAF COc1cc(OC)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 587002251 VONBJCALFYKHER-ONEGZZNKSA-N 417.259 4.284 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196392 RXCPYVNREVRWTO-UHFFFAOYSA-N 420.538 4.020 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421392 LMRDACKAYCAHQF-XCLFUZPHSA-N 407.249 4.208 0 1 HIAF C=CN1CCCC[C@@H]([C@@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587444454 PYOGFJDMYIXNDM-IPVFLDMMSA-N 417.505 4.419 0 1 HIAF Nc1c(Br)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539810 KAQVAAXAKGNVLG-UZLBHIALSA-N 412.239 4.440 0 1 HIAF CN(C)CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587570866 JPVJRKVHJKGMMT-ZJSXRUAMSA-N 405.450 4.036 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)C1CCNCC1 587572340 SBQMVPYOOWFONO-RCZVLFRGSA-N 419.452 4.388 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586220 IBWHRTQBMUYROE-UQASEVPWSA-N 411.454 4.122 0 1 HIAF O=C(O)c1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 587586390 BYVVKMYBBNVPRY-SIKLNZKXSA-N 401.374 4.275 0 1 HIAF CCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1 587716231 CTMKJCUXYKEOEC-XLKFXECMSA-N 406.221 4.447 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(c2cccnc2)N1 587771979 MRISHXLLGZIKFX-LHSJRXKWSA-N 412.306 4.399 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCOCC2)N1 587775134 QXQRXQQFAKLJSX-XCLFUZPHSA-N 405.311 4.048 0 1 HIAF COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587807813 NPQXYBLAZVDWJR-OVWNDWIMSA-N 410.283 4.238 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cc3ccccc3o2)(C(=O)O)N1 587830896 GRCNGYYTLVNYMQ-GIPWTMENSA-N 418.262 4.391 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn2cc(F)ccc2n1 587863880 CUOWJPHTFMNWGN-UHFFFAOYSA-N 418.350 4.443 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(O)cc(-c2ccccc2)n1 587867911 DWLLYNNIXAWWGA-UHFFFAOYSA-N 413.359 4.124 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(Cl)nc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962722063 YCWMJBXDZNQFIW-YCRPNKLZSA-N 420.937 4.044 0 1 HIAF O=C(O)c1cccc2c1[C@@]1(N[C@H](C(=O)O)Cc3cccc(F)c31)c1cc(Cl)ccc1-2 962920780 MBFVXHQIIPAOTP-FDDCHVKYSA-N 423.827 4.049 0 1 HIAF CC(C)c1nn(C)c2c1[C@](c1c[nH]c(C(=O)NC3CCCCCC3)c1)(C1CC1)NCC2 962923411 YXBAJFJJTMYIMM-RUZDIDTESA-N 423.605 4.124 0 1 HIAF O=C(O)c1cccc2c1CCN[C@@]2(Cc1ccccc1Br)C(F)(F)F 963133779 SNEYTBQPERKLOQ-QGZVFWFLSA-N 414.221 4.293 0 1 HIAF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(C)c3cnoc3)nc(Cl)nc21 963913754 CCFPWHSHLHEOIH-NRFANRHFSA-N 424.892 4.080 0 1 HIAF Cc1nn(Cc2ccc(-c3nc4ccc(F)c(F)c4[nH]3)cc2F)c(C)c1CC(=O)O 1772586273 NQCHSGMRMHJPSG-UHFFFAOYSA-N 414.387 4.136 0 1 HIAF CC[C@@H](C)[C@H](NC(=O)c1ccc(Oc2nc3ccccc3nc2C)cc1)C(=O)OC 1772621145 CJRGWJJZXFVVCU-VLIAUNLRSA-N 407.470 4.048 0 1 HIAF COc1ccc(OC)c(CCN=c2[nH]c3cnc(-c4ccccc4C)cc3n2C)c1 1857599370 MRXDIUITQGXEPP-UHFFFAOYSA-N 402.498 4.037 0 1 HIAF CC(C)(C)c1ccc(-c2cnc3cnc(-c4ccc(C(=O)NCCO)cc4)cn23)cc1 1857608242 YBLOWDCGELXQIL-UHFFFAOYSA-N 414.509 4.083 0 1 HIAF CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H](C#N)C1=O 5664766 WDOBMYWYQITUSE-FOSSAINHSA-N 413.514 4.090 0 1 HIAF C[C@H]1c2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)Nc1ccccc1)OCO3 13604072 DGSDGMHHRLAROS-AWEZNQCLSA-N 400.438 4.359 0 1 HIAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C/C3=CC(=O)OC3)CC[C@]12O 13765954 KDQZYZOKONINMK-CPEIHUPKSA-N 400.559 4.161 0 1 HIAF Cc1nc(N2CCCCC2)c2nnn(-c3ccc(C(C)C)cc3Br)c2n1 13794698 HLXJGAACFKMECG-UHFFFAOYSA-N 415.339 4.395 0 1 HIAF COc1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25237681 OQQZSBYPAVGACF-MJGOQNOKSA-N 415.493 4.175 0 1 HIAF biogenic Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCCC2)cc1 26840192 QOJDPFZBMAHWTN-QHCPKHFHSA-N 420.509 4.363 0 1 HIAF CCCN(CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1 28964145 JNTZATOMFKWPTP-RUZDIDTESA-N 407.602 4.174 0 1 HIAF Cn1cc(Cc2nn([C@H](C(=O)O)c3ccccc3)c(=O)c3ccccc23)c2ccccc21 68198732 JXEAVXZALMHYOT-DEOSSOPVSA-N 423.472 4.153 0 1 HIAF Cc1ccc(-c2nc3sc(C(F)(F)F)nn3c2/C=C2\SC(=O)NC2=O)cc1 73294134 MDWQWDQJCJFENJ-POHAHGRESA-N 410.402 4.109 0 1 HIAF CCCCCNc1ncnc2c1nc(C1CC1)n2CCCCOC(=O)C(F)(F)F 82186927 RZPOKFJMVZIAPC-UHFFFAOYSA-N 413.444 4.192 0 1 HIAF CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 101136192 YLCHGJNOKWJAIH-MOBUCQHHSA-N 421.532 4.424 0 1 HIAF Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cncc3F)s1)OC(F)(F)O2 142681435 NLQRQEQPSYNBOP-UHFFFAOYSA-N 411.336 4.366 0 1 HIAF O=C(c1cc(Br)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 144715733 DVJYVUPJMPKFGF-KRWDZBQOSA-N 412.205 4.074 0 1 HIAF O=C(NCCc1cccnc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148204477 FIPINBGGHGHVNP-UHFFFAOYSA-N 411.465 4.380 0 1 HIAF COc1ccc(C[C@H]2C[N+]3=C(NC[C@@H]3CC3CCCCC3)N2CC2CCCC2)cc1 169721153 LTOSYUMARDRUGJ-ZEQRLZLVSA-O 410.626 4.423 0 1 HIAF CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4cc(C)cc(C)c4)c3cc21 473111557 ABWOJCSTHNOIOW-UHFFFAOYSA-N 420.469 4.241 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc2c1 586903169 NWHOSHFGDJHIHS-BBRMVZONSA-N 401.260 4.071 0 1 HIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1 586937036 OWJMCWSWUKCLSA-NSHDSACASA-N 422.348 4.378 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@@H]2CCCC[C@@H]21 586961406 RAIVQWBAAVFFHW-JQFCIGGWSA-N 416.934 4.306 0 1 HIAF CN(C)/C=C/c1nc(O)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988964 UTFJEWOULYMCBR-VAWYXSNFSA-N 409.445 4.452 0 1 HIAF O=C(O)c1cc(Br)cc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587017511 MTAQWZFDVGBWNX-UHFFFAOYSA-N 404.245 4.331 0 1 HIAF COc1ccc(-c2ccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c(F)c2)c(F)c1 587152403 MPFJSTFBPDCWPK-UHFFFAOYSA-N 416.405 4.430 0 1 HIAF Nc1nccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 587152969 JBRDBAUQSVDHSO-UHFFFAOYSA-N 417.473 4.219 0 1 HIAF O=C(O)CC[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350684 XWKGEFSEBABUKQ-FYYLOGMGSA-N 407.397 4.046 0 1 HIAF CCOC(=O)C1CCN(c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587396911 WYMGAHLJESGXFQ-JOCHJYFZSA-N 408.498 4.063 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C[C@@H](NC(=O)OC(C)(C)C)c4ccccc41)[C@@H](C2)C3=O 587431543 GXLZZJLDQPHZMV-RHGYRFJNSA-N 407.466 4.308 0 1 HIAF COc1cccc([C@@]2(c3c[nH]c4ncccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587441258 SBEBBCOVUORMJB-KBMIEXCESA-N 412.445 4.271 0 1 HIAF CCCCCS(=O)(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447445 ACTQFNYFSRBZCQ-XMSQKQJNSA-N 400.496 4.148 0 1 HIAF O=C(O)CC[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569773 JFVLGORJRGBERP-REWPJTCUSA-N 408.381 4.253 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccc(F)cc2c1=O 587572229 ULZVIYGXZLJBIV-CVDCTZTESA-N 404.349 4.341 0 1 HIAF C[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1nc(C(F)(F)F)cc1C1CC1 587651388 ILVCYTWMJJYOEV-VIFPVBQESA-N 410.783 4.044 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccc(N)cc3)C2)N1 587744999 IVDRBXAHVMRYMM-MEELVIRWSA-N 417.322 4.437 0 1 HIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CC(=O)O 587808918 RKAUIHBQPARTOW-BIBXISHDSA-N 422.294 4.022 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccccc2F)n1 587871152 OQUSZVXFGFRZQU-UHFFFAOYSA-N 424.407 4.149 0 1 HIAF CC(C)CCn1nc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c2ccccc2c1=O 587875149 GKTAGOQJOWPXCI-UHFFFAOYSA-N 418.428 4.239 0 1 HIAF CCOc1ccc([C@@]2(c3ccc(Cl)nc3)NCCc3c2c(C(C)C)nn3C)cc1 962917174 LMRIJVSUVROFCR-QHCPKHFHSA-N 410.949 4.428 0 1 HIAF CCOC(=O)C[C@@H]([C@@]1(C)NCCc2c1sc(C)c2C)P(=O)(OCC)OCC 963029280 RIWDQYPODDGJJU-QFBILLFUSA-N 417.508 4.314 0 1 HIAF Cc1ccc(C[C@@]2(c3ccc(C)cc3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963488845 GAKQZBPGGJMKSD-NVQXNPDNSA-N 401.506 4.403 0 1 HIAF COC(=O)[C@@]1(CC(=O)c2ccc3c(c2)CCCC3)c2ccc(C)c3c2C2(CC2)CN31 963730334 LVJJTULSIFASLD-AREMUKBSSA-N 401.506 4.380 0 1 HIAF Cc1cc(NCCc2c(C)n[nH]c2C)n2nc(N[C@H](C)c3cccc(Cl)c3)nc2n1 1772619144 GARKOYNLOCFRCG-CYBMUJFWSA-N 424.940 4.254 0 1 HIAF COc1ccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3cccnc32)cc1OC 1911580642 VUMGRCRVKQXAEE-UHFFFAOYSA-N 421.453 4.131 0 1 HIAF O=C(Nc1ccc(Cl)cn1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 2493551 XVRBXFQUCIRQCQ-UHFFFAOYSA-N 407.739 4.309 0 1 HIAF O=C(/C=C/Cl)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 27517493 MNRDWWUGMJRIIM-SNAWJCMRSA-N 404.655 4.222 0 1 HIAF CCCCCNC(=O)[C@H]1CS[C@@H](c2ccoc2)N1C(=O)c1ccccc1Cl 35196092 HSAHFEDCEHNNCY-XLIONFOSSA-N 406.935 4.496 0 1 HIAF COC(=O)Nc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1 49035141 SLWPPOJXOVDYRG-UHFFFAOYSA-N 401.410 4.388 0 1 HIAF COc1cccc(Oc2c(C(=O)N3CCCC[C@@H]3c3cccnc3)c(C)nn2C)c1 95592695 RQKKCIFUDOPIAK-HXUWFJFHSA-N 406.486 4.292 0 1 HIAF COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2OC)cc1 100106113 VITZZSQACHCFNG-MWZSMPGESA-N 400.522 4.311 0 1 HIAF O=Nc1c([C@H]2C(=O)Nc3c(Br)cccc32)[nH]c2ccc(C(=O)O)cc12 169729514 ZVQKIVSQCORITQ-LBPRGKRZSA-N 400.188 4.111 0 1 HIAF Cn1nc2c(c1-c1cccnc1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 226002383 PREMAZZNMUEWAU-UHFFFAOYSA-N 420.822 4.353 0 1 HIAF O=S(=O)(Cc1ccccc1)N1CCc2ccccc2[C@@H]1c1n[nH]c2ccccc12 299861702 LWCRLADHWUSCBR-HSZRJFAPSA-N 403.507 4.040 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc12 587038895 URPXRQUIKBRBPP-VIFPVBQESA-N 423.420 4.209 0 1 HIAF O=S(=O)(O)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587151605 RZSJLDJBRYLXIP-IBGZPJMESA-N 416.405 4.256 0 1 HIAF Nc1cc(C(=O)O)cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587248663 AOMCZPNBIUITSV-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF C[C@@]1(c2ccc3c(c2)OCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351300 UDZHFEWHGVGEDB-UPVQGACJSA-N 419.408 4.137 0 1 HIAF CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587391627 NZZSYHCOVUBNFP-QFIPXVFZSA-N 413.481 4.353 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)([C@@H]1CCCO1)[C@@H](C2)C3=O 587417821 MMRYZZIOGXUOFD-MDKPJZGXSA-N 415.283 4.280 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)CC4CCCC4)cc1)[C@@H](C2)C3=O 587448719 MGTNMPNXDWHUIK-CVDCTZTESA-N 412.507 4.148 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)cc(Br)cc12 587502107 BOOVJOOMVFFKHF-HXUWFJFHSA-N 416.246 4.280 0 1 HIAF CC(C)COc1cccc(OCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587566024 PQLOTAFRVZDAOV-UHFFFAOYSA-N 419.485 4.236 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ncc1F 587568198 GMYPUBWHGWZUKA-VQIMIIECSA-N 416.202 4.392 0 1 HIAF CN(C)CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587570864 JPVJRKVHJKGMMT-XUZZJYLKSA-N 405.450 4.036 0 1 HIAF Cc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575756 DAOWCTXIDMJYJE-XUZZJYLKSA-N 403.434 4.450 0 1 HIAF COc1ccccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580973 UITBOLNTGCCDIO-ZJSXRUAMSA-N 419.433 4.150 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587601394 DEMYAGNAUXODHX-ZIFSHTEZSA-N 406.434 4.004 0 1 HIAF COc1cc(C)cc2c1OCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612996 XFZIZBGIMHNIFH-YKSBVNFPSA-N 404.418 4.349 0 1 HIAF CC(C)OC(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587707499 UUTRKYPUHJHTPA-VFZGTOFNSA-N 412.221 4.222 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3cc(F)ccc3c2=O)N1 587731070 JVOGDSKUFSYWQL-DYBLOJMWSA-N 406.226 4.457 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)cc3c2N(C)CCC3)N1 587768386 UZZSLLQPCRLRSQ-MPBGBICISA-N 417.322 4.407 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(C2CCOCC2)N1 587779346 RDJRYJOQCOYXCA-XCLFUZPHSA-N 405.311 4.188 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=S)N(C)C)c2)N1 587844939 PNGWLIZNLBPZGE-VOJFVSQTSA-N 423.351 4.437 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3cnn(C)c3)cs2)N1 587853260 LTLXYDGIKZOQTG-ABKXIKBNSA-N 407.312 4.069 0 1 HIAF C[C@@H](c1ccc2nc(O)sc2c1)c1ccn(-c2ccc(CCC(C)(C)O)cn2)n1 653861638 FFVHXLLNNNHUKW-AWEZNQCLSA-N 408.527 4.438 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2Cl)N1 962905527 QKTGGUXBYSKOSH-MAUKXSAKSA-N 406.244 4.211 0 1 HIAF COc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2cc[nH]c2n1 1772635222 YIGQSLKUNKHIBI-UHFFFAOYSA-N 422.533 4.291 0 1 HIAF COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)cc(OC)c1OC 1857578594 RKBYYWVZFBATHQ-UHFFFAOYSA-N 419.525 4.159 0 1 HIAF COc1cc(C(=O)c2cccc(N(C)C)c2)ccc1OCc1nc(C)c(C)nc1C 1857633511 SDAXHZFKCNDDCK-UHFFFAOYSA-N 405.498 4.286 0 1 HIAF O=C1NC(c2ccccc2)=C[C@@H](c2ccc([C@H]3C=C(c4ccccc4)NC(=O)N3)cc2)N1 1857773268 CPGKHSONSBIZQK-PSWAGMNNSA-N 422.488 4.477 0 1 HIAF CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc2[nH]cnc2c1 12316841 ZOAXIDORVLLFBL-GOSISDBHSA-N 410.949 4.243 0 3 HIAF CC(C)=CCc1c(O)c2c(c3c1O[C@H](C(C)(C)O)C3)O[C@@H](c1ccc(O)cc1)CC2=O 34165793 UICPJXWESAHQFX-UXHICEINSA-N 424.493 4.387 0 1 HIAF biogenic CC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1cccc(Cl)c1Cl)[C@@H](CO)C(C)(C)O2 45188108 MJIRVNPSHKSGSP-DNVCBOLYSA-N 422.308 4.447 0 1 HIAF COc1ccc(C(=O)NC[C@@]2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1 45317056 UTQUTYRCYJNMQO-QGZVFWFLSA-N 414.767 4.098 0 1 HIAF c1ccc(C[C@H]2CN(c3ccccc3)CCN2CCNCCOc2ccccc2)cc1 45370860 QVAUXAHBFWNZGE-SANMLTNESA-N 415.581 4.089 0 1 HIAF CC(C)CN(C)C(=O)c1ccc2c(CO)c(-c3n[nH]cc3-c3ccccc3)[nH]c2c1 49803633 PNIPUKDEDVGZBF-UHFFFAOYSA-N 402.498 4.445 0 1 HIAF O=C(NCCC1=CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82072625 NXNKOTCOAHBHOW-HXUWFJFHSA-N 409.555 4.421 0 1 HIAF CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82221889 TWJBHFXAHOGXQQ-SFHVURJKSA-N 410.953 4.454 0 1 HIAF O=C(N[C@H]1CCN(CCOc2cccc(-c3ccccc3)c2)C1)c1cccc(F)c1 95580101 CLTQTINJWOQTJV-QHCPKHFHSA-N 404.485 4.376 0 1 HIAF O=C(N[C@@H]1CCN(CCOc2cccc(-c3ccccc3)c2)C1)c1cccc(F)c1 95580102 CLTQTINJWOQTJV-HSZRJFAPSA-N 404.485 4.376 0 1 HIAF FC(F)(F)c1ccccc1N1CCN(Cn2nc(-c3ccncc3)oc2=S)CC1 103188983 HZTOKRRHEFQHOO-UHFFFAOYSA-N 421.448 4.066 0 1 HIAF CCN(CC)C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N(CC)CC 103229271 IWSHRIZSAICDHO-ULBZPVTCSA-N 404.554 4.247 0 1 HIAF CN1C(=O)[C@@]2(N=C1N)c1cc(-c3ccccc3)ccc1OC21CCc2ccccc2CC1 141062913 CXHZNDILCIERGS-MHZLTWQESA-N 423.516 4.046 0 1 HIAF c1ccc2c(c1)OC[C@H](COCCCN1CCC(c3nc4ccccc4o3)CC1)O2 169312207 MLCBXCPVXXUVAC-IBGZPJMESA-N 408.498 4.254 0 1 HIAF CNc1nc2ccc(C)cc2cc1Cc1c(=O)[nH]c(C)c2cc(OC)c(OC)cc12 201639235 SVBAVLKSWAONTO-UHFFFAOYSA-N 403.482 4.343 0 1 HIAF Cc1ccoc1C(=O)Nc1ccc([C@H]2CN=C3c4ccccc4NC(=O)N3C2)cc1 206976251 MBSYSGIRFJAEDX-INIZCTEOSA-N 400.438 4.232 0 1 HIAF c1ccc(-c2csc3ncnc(N4CC[C@H](COCCN5CCCC5)C4)c23)cc1 223006723 KEGYOVVCEIJJLT-SFHVURJKSA-N 408.571 4.297 0 1 HIAF OCCN1CC=CCCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 254131829 HWIHAMKZTYYAKI-UHFFFAOYSA-N 402.498 4.020 0 1 HIAF Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(F)c4)cc3)c12 299855980 BKGOFXXTVLRSBJ-UHFFFAOYSA-N 405.433 4.103 0 1 HIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587075594 JCJWHHHJXAWURZ-UHFFFAOYSA-N 406.921 4.129 0 1 HIAF COc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1OCC(=O)NC(C)C 587222471 JYFQXROVBLIYPJ-UHFFFAOYSA-N 408.285 4.449 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4ccccc4F)n1)[C@@H](C2)C3=O 587426396 MOZSXWUJRSBBBF-LHSJRXKWSA-N 424.453 4.464 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCCOC)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O 587469102 IGVJZQHDSMBOKE-CMJOXMDJSA-N 421.534 4.389 0 1 HIAF CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CO 587599425 XIRXPANIJXEGAO-URXFXBBRSA-N 406.434 4.376 0 1 HIAF COc1ccc(NC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(OC)c1 587659892 IOAYWRCSAGVFTH-UHFFFAOYSA-N 419.412 4.300 0 1 HIAF Cc1nn(C)c(C)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587705438 MPCMICFKGXIXSR-VPTHRUTESA-N 420.248 4.279 0 1 HIAF COC(=O)C[C@@]1(Cc2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587726872 LXAVQNGBVKWAPX-FKIZINRSSA-N 424.285 4.263 0 1 HIAF COc1ccc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587739184 GJKMIVUZMHPCLG-BFKBQSEMSA-N 419.338 4.450 0 1 HIAF COc1ccc(-n2cccn2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587761426 UGIRJQRFRCRHNK-YUNKPMOVSA-N 416.294 4.406 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2cccnc2)N1 587763549 JXRXQCNFWOKPSG-WYRIXSBYSA-N 401.283 4.007 0 1 HIAF Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccn1 587766726 WSQGKKGSIUGEDE-YUNKPMOVSA-N 415.310 4.275 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c3nc(O)ccc23)N1 587776460 CWNUPWABWIBWQK-CFMSYZGJSA-N 417.278 4.345 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccc4c3n(c2=O)CC4)N1 587790842 JCRXFVNQERQKNF-WLRWDXFRSA-N 413.290 4.083 0 1 HIAF COC(=O)c1ccsc1[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962625214 BFMXRCXRLZLHCO-KNQAVFIVSA-N 404.535 4.371 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OCCOC(C)=O)c(OC)c2)N1 962962414 VLNMPRNRMOLKOE-SBUREZEXSA-N 408.498 4.132 0 1 HIAF O[C@H]1C[C@H]2C[C@@]3(C[C@H]1N2Cc1ccccc1)NCCc1c(Cl)cc(Cl)cc13 963110397 MVQUSDHMJYAYDN-AEMJNJESSA-N 403.353 4.132 0 1 HIAF Cc1nc(CC(=O)Nc2cc(C(=O)c3cn(C(C)C)c4ccncc34)ccn2)cs1 1772575948 FFFIRNQJLQSXCK-UHFFFAOYSA-N 419.510 4.189 0 1 HIAF C[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1ccccc1 1772606619 UKXZNPHKCSQERV-OAHLLOKOSA-N 420.488 4.250 0 1 HIAF COc1ccc(CN=c2c3c([nH]c4ccc(C)cc24)CCN(C(C)=O)C3)cc1Cl 1772609431 LZXZHVDJFYPGJX-UHFFFAOYSA-N 409.917 4.144 0 1 HIAF Cc1c(C)c2ccc(OCc3cccc(CN4CCC(CO)CC4)c3)cc2oc1=O 1857545793 AJYQNGRAUDTCMC-UHFFFAOYSA-N 407.510 4.193 0 1 HIAF COc1ccc2c(=O)cc(-c3ccn(Cc4ccc(OC(F)(F)F)cc4)n3)[nH]c2c1 1857553854 XWKWKCXSEBCXAL-UHFFFAOYSA-N 415.371 4.347 0 1 HIAF CC(=O)Nc1cccc(-c2csc([C@H](NC(C)=O)c3ccc(F)c(F)c3)n2)c1 61907040 FECCORSNSOYYRB-LJQANCHMSA-N 401.438 4.272 0 3 HIAF C[C@@H]1CCCCN1CCCNc1nc2ccccc2c2nc(-c3cccnc3)nn12 6805450 ZOWNHMZQXSMQSY-QGZVFWFLSA-N 401.518 4.016 0 1 HIAF CCN(CC)C(=O)/C=C(\C)c1ccc(OCc2c(F)cccc2F)c(CC(=O)O)c1 13782719 HWPXBWNLCZPRCW-RVDMUPIBSA-N 417.452 4.443 0 1 HIAF O=C([C@@H]1CCCN1)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 13795486 RTXXHDKZVSNDOF-VQTJNVASSA-N 400.415 4.038 0 1 HIAF COc1ccc(CSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1OC 28862848 WEKWVEOMEAYJRK-UHFFFAOYSA-N 418.465 4.257 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2C[C@@H](c3ccccc3)CC[C@@H]2C1 29406778 ILBCFHDOQNPYQO-OKZBNKHCSA-N 413.949 4.071 0 1 HIAF COc1ccc(-c2nc([S@@](=O)CC(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1 40505718 BZOKCDVZVJJLEH-MUUNZHRXSA-N 410.417 4.431 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(C(C)=O)[C@@H]1c1ccccc1 40943512 KXPUKFDIWIRXOO-ZEQKJWHPSA-N 412.489 4.495 0 1 HIAF CCOC(=O)CCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 66128912 LTAAXBLMOJQUQP-UHFFFAOYSA-N 420.425 4.225 0 1 HIAF O=C(c1csc(-c2ccncc2)n1)N1CC[C@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 71297145 VUJYIIWLRJBFNL-IZIIKQMZSA-N 419.550 4.498 0 1 HIAF Cc1ccnc(NC[C@@H]2CC3(CC3)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1 96909610 TZYJGPFRQJHFMZ-SFHVURJKSA-N 419.554 4.324 0 1 HIAF COc1ccccc1N(C(=O)[C@H](C)OC)[C@@H]1CCN(CCc2cccs2)C[C@H]1C 142969390 MMLFNTYVDTXUQB-WSTZPKSXSA-N 416.587 4.078 0 1 HIAF CCN(CC)CCCOc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1 169342766 VDJWQPUIGRSGSM-HSZRJFAPSA-N 412.574 4.244 0 1 HIAF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc(C(C)(C)C)cc3)n2)n[nH]1 261129705 KWKSNBJHBLKASI-UHFFFAOYSA-N 421.549 4.093 0 1 HIAF O=C(CCCCN1CCN(c2ccccc2F)CC1)Nc1nc2ccccc2s1 474609872 WLVJOKBDUFEGAQ-UHFFFAOYSA-N 412.534 4.366 0 1 HIAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023421 KQCKPFOGONSSCW-UHFFFAOYSA-N 412.540 4.432 0 1 HIAF COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(O)c1 587105940 BXRQXTMMXFPNAB-UHFFFAOYSA-N 411.413 4.455 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(NC(=O)c4cnoc4C)cc3)nc2c1 587243965 DPJSAEBFPUGDQG-UHFFFAOYSA-N 424.844 4.142 0 1 HIAF CC(C)COc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1Br 587248386 OPJFWIXJZZIGAU-UHFFFAOYSA-N 404.264 4.308 0 1 HIAF CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587391605 SLYUHIWJTSTVMY-XMMPIXPASA-N 404.466 4.447 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](C1(c3cccc(Br)c3)COC1)CC2=O 587457875 OQXYBQDWUCPZCK-LJQANCHMSA-N 417.299 4.409 0 1 HIAF C[C@]1(c2ccc(Br)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543061 HGVSMQVNBXTMNU-YLJYHZDGSA-N 412.239 4.427 0 1 HIAF CC(C)COc1cccc(OCc2nc3cc(I)cnc3[nH]2)c1 587565933 NFQLBVQYUKSGQZ-UHFFFAOYSA-N 423.254 4.176 0 1 HIAF CC(C)(C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)NC(=O)OC(C)(C)C 587570826 JNOCQSVMNBIQJU-ROUUACIJSA-N 413.470 4.416 0 1 HIAF CCOP(=O)(C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC 587608692 RVSMZSKBTFMGRQ-PXNSSMCTSA-N 406.371 4.379 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCCNC2)N1 587790402 CRTWBUXSMPIJAF-ZVGUJKQYSA-N 403.339 4.366 0 1 HIAF Cc1cc2c(cc1C)[C@@]1(CC(=O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587838604 OIGNDFBSBOFSFQ-YUNKPMOVSA-N 404.279 4.292 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)nc2c1 587949924 NOWLZRZGDUEOBB-QQRKTFAASA-N 402.878 4.156 0 1 HIAF CC(C)c1nn(C)c2c1[C@]1(NCC2)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 962923183 YMWRHDDRTHHYGY-DEOSSOPVSA-N 420.944 4.133 0 1 HIAF COC1([C@@]2(C)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)CCC1 963854341 OMUVJBHXKCTGAN-VGOFRKELSA-N 403.519 4.416 0 1 HIAF Nc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccn2)CCCCC3)cc1 1857644810 QYAGRGUJVYKBFQ-UHFFFAOYSA-N 406.511 4.499 0 1 HIAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)c5cccnc5)sc4C[C@@]3(C)CC[C@H]12 2356504989 MHMUNSRMYYJJFY-RBQSZOHBSA-N 411.527 4.044 0 1 HIAF CCN1CCN(c2cc(C)c3cc(NC(=O)Cc4cccc(C)c4)ccc3n2)CC1 4572062 FSLVSQZVNMYSCT-UHFFFAOYSA-N 402.542 4.175 0 1 HIAF CC(C)[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22941281 GLZPLACVFCDCPW-HSZRJFAPSA-N 411.977 4.072 0 1 HIAF O=C(NC[C@H]1CNc2ccccc2C(c2ccccc2F)=N1)OCc1ccccc1 27521470 AHHXPJAEVZEJBL-GOSISDBHSA-N 403.457 4.384 0 1 HIAF Cc1ccc(-c2nc(NC(=O)COc3cccc(F)c3)cc(-c3nccs3)n2)o1 29041626 RAECGVDQYJTWQW-UHFFFAOYSA-N 410.430 4.325 0 1 HIAF O=C(OCCF)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(Br)cc1)N2CCCF 36271374 XXLBWUCJODELRH-VSZNYVQBSA-N 416.306 4.258 0 1 HIAF COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4)CC3)c2cc1OC 96284505 RABPYCTZPIOHBV-UHFFFAOYSA-N 404.514 4.241 0 1 HIAF C[C@@H](NC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)c1ccccc1 100596198 DNBSIUOZUWKDAY-FHARDALYSA-N 420.347 4.141 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(C)nc(Nc2ccccc2)n1 103289127 KUFYGXPMZSFLNH-HMMYKYKNSA-N 405.454 4.268 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CC2CCCCC2)c1 169707048 ZDALZJFAVUPZKP-HXUWFJFHSA-N 408.546 4.158 0 1 HIAF O=C1c2cc3c(cc2C2(CC2)N1CCC1CCN(Cc2cccc(F)c2)CC1)OCO3 206556545 GDYQPPQKMRVDEO-UHFFFAOYSA-N 422.500 4.302 0 1 HIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(Br)nc3[nH]2)c1 586916178 WPFJLWDJRSDCAK-UHFFFAOYSA-N 410.227 4.489 0 1 HIAF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(O)c3[nH]2)C[C@@H](C)O1 586968362 NFFHTYUYDBYESX-ZIAGYGMSSA-N 421.526 4.118 0 1 HIAF Cc1c(Br)cnc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc12 586983581 DYERFSVUCDWDPL-LBPRGKRZSA-N 410.113 4.034 0 1 HIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(OC(F)(F)F)cccc2[nH]1 587038451 IDQSKWHXUPUBPL-UHFFFAOYSA-N 401.370 4.327 0 1 HIAF Cc1c(Br)ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587085537 YNUWSEXYKNTOJP-UHFFFAOYSA-N 406.715 4.461 0 1 HIAF O=C(CSCc1nc2cc3c(cc2[nH]1)OCCO3)Nc1ccc(C(F)(F)F)cc1 587114594 VLHIWYRVTVRLOR-UHFFFAOYSA-N 423.416 4.225 0 1 HIAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1F 587144584 OHUSXGRVERAAAD-UHFFFAOYSA-N 408.360 4.446 0 1 HIAF COC(=O)[C@@H]1c2ccccc2C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348216 GTEUMXOJHRFCDI-OTNCWRBYSA-N 418.420 4.142 0 1 HIAF COc1cc2c3c(c1)OC1(CCN(Cc4c(F)cccc4Cl)CC1)[C@@H](C2)C3=O 587424865 WQBVMNUTNJVSLX-INIZCTEOSA-N 401.865 4.270 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)OCc3ccccc3)C1)CC2=O 587473691 BKLCPFRBLBSQPU-XMMPIXPASA-N 409.482 4.481 0 1 HIAF CCOC(=O)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549621 SAEZOYXICVLLNM-XXBNENTESA-N 424.836 4.466 0 1 HIAF CCOC(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592436 HDAFHGZRQHNHCD-URXFXBBRSA-N 420.417 4.037 0 1 HIAF CCCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587596295 QQNQXJBGGXRTKG-GBXCKJPGSA-N 401.418 4.154 0 1 HIAF CCOc1ccc(-c2nn(C(=O)c3nccs3)c(=O)c3ccccc23)cc1OCC 587670321 JWPFDYXRETUZIP-UHFFFAOYSA-N 421.478 4.006 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C2\C(=O)N(C)c3ccccc32)N1 587773333 YHKZQRPRMYOFDV-SMSIKOTCSA-N 415.306 4.398 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587802308 KZEAGEYMYJIZGE-DGIBIBHMSA-N 417.278 4.480 0 1 HIAF CCOc1cc(-n2c(O)cc(-c3cccc(OC)c3)c2O)c(Cl)cc1C(=O)O 587941394 OJTBLIACERWTTG-UHFFFAOYSA-N 403.818 4.314 0 1 HIAF CCNC(=O)Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 653666908 CPMQORWQQUUADH-UHFFFAOYSA-N 405.454 4.086 0 1 HIAF Cc1ccc(NC(=O)N2CCCn3c(SCC(=O)c4cccs4)nnc32)cc1 958026590 RXGOYTIFWWXDBF-UHFFFAOYSA-N 413.528 4.065 0 1 HIAF COc1ccc([C@@]2(c3ccc(F)cc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963038736 ZUCOVCOUKFNLGM-IVCQMTBJSA-N 402.469 4.180 0 1 HIAF COc1cccc2cc3c(nc12)[C@H]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)NCC3 963045471 GBTKJPVJZBHVEJ-YWMUFLPLSA-N 411.546 4.466 0 1 HIAF COc1cccc2c3c(cnc12)CCNC31c2ccc(O)cc2Oc2cc(O)ccc21 963049992 XQSMOBADALVMCR-UHFFFAOYSA-N 412.445 4.198 0 1 HIAF C[C@@H](CC(=O)O)C[C@]1(c2cccc3ccccc23)NCCc2c(C(=O)O)cccc21 963129015 DIAIHLMNFHMUOK-IVCQMTBJSA-N 403.478 4.428 0 1 HIAF O=C1C[C@H](c2ccccc2Cl)C[C@@]2(C1)N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963240914 ZXIJFOHXUAXTDJ-FKIJXQQXSA-N 420.896 4.219 0 1 HIAF COc1ccc2ccccc2c1Cn1cnc2sc(CCN(C)C)c(C)c2c1=O 1772602761 XOKSZJPHYKYGFA-UHFFFAOYSA-N 407.539 4.081 0 1 HIAF O=C(NC1CCCC1)[C@@H]1CN(c2ccccc2)CC(=O)N1c1ccc2ccsc2c1 1772635673 NNQWZNPLQBQAGR-NRFANRHFSA-N 419.550 4.182 0 1 HIAF O=C(N[C@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2cccc(F)c2)cc1 1857566641 DNJOGKIMTFEQAQ-HSZRJFAPSA-N 413.452 4.371 0 1 HIAF O=C(N[C@H](Cn1ccnc1)C(=O)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 1857586854 LOOSUPPEZFVCFA-HSZRJFAPSA-N 413.452 4.371 0 1 HIAF O=C(N[C@@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccc(F)cc2)cc1 1857610040 ILBZDMSQLIBNEM-QHCPKHFHSA-N 413.452 4.371 0 1 HIAF Cc1ccccc1-n1c(Cn2cc(-c3ccccc3F)nn2)nc2ccccc2c1=O 1857756964 XJZHEEOWMAUGOC-UHFFFAOYSA-N 411.440 4.140 0 1 HIAF C/C=C/c1ccc(Nc2ncnc3cc(OC)c(OCCN4CCOCC4)cc23)cc1 1857758338 SSOCYDCQUFDVSS-ONEGZZNKSA-N 420.513 4.126 0 1 HIAF CC(=CCCC(=CC[C@@H]1OC(=O)C=C1CO)CO)CCC1=C(C)[C@H](O)CCC1(C)C 2356689862 BKHHGIGVYWPIJC-PKTZIBPZSA-N 418.574 4.143 0 1 HIAF CCOC(=O)C1=CC[C@@H](c2ccccc2Cl)N(S(=O)(=O)c2ccc(C)cc2)C1 34131773 LZFCAKHSHQUDFY-FQEVSTJZSA-N 419.930 4.274 0 3 HIAF CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2cccc(C)c2C)CC1 95564643 HEAODOGXMMJDBG-HSZRJFAPSA-N 404.562 4.002 0 3 HIAF C[C@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 2724681 DSPJRFUPQVUUDT-NPMXOYFQSA-N 422.431 4.302 0 1 HIAF NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1 26497342 ILKQRUVBTOCMJS-XMMPIXPASA-N 419.500 4.199 0 1 HIAF C[C@@H](C1=C(O)[C@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O)c1ccccc1 26837965 VMPXKFBRICFDMH-CRICUBBOSA-N 407.510 4.445 0 1 HIAF COc1cc(/C=C/Cn2oc(=O)nc2O)ccc1OCc1ccc(Cl)c(Cl)c1 27102848 ONXZPZPAFUDOSV-NSCUHMNNSA-N 423.252 4.150 0 1 HIAF COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1C(=O)Nc1ccc(C(C)(C)C)cc1 27620692 ZXZHTAKVGAQELD-SFHVURJKSA-N 412.511 4.139 0 1 HIAF O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523981 SDTJVIDGLJAXKM-RTBURBONSA-N 405.329 4.215 0 1 HIAF C[C@@H]1CC(=O)N(C)c2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21 28528237 XMEJLZITUOYZLM-QGZVFWFLSA-N 420.582 4.131 0 1 HIAF Cc1[nH]c2ccccc2c1Cc1c(OC(=O)CCCC(=O)O)ccc2ccc(=O)oc12 29062622 PIEVSUMEOIYORN-UHFFFAOYSA-N 419.433 4.334 0 1 HIAF O=C(Nc1cccc(F)c1)c1ccc(C(=O)N[C@H]2CCN(CC3CCCCC3)C2)cc1 45194004 QDDDFBSVZUEWIH-QHCPKHFHSA-N 423.532 4.462 0 1 HIAF O[C@@H](CNCc1ccccc1Br)Cn1c2c(c3ccccc31)CCCC2 73160650 JCXSUWGEZVBQJD-KRWDZBQOSA-N 413.359 4.433 0 1 HIAF CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1ccco1 82082189 QLZYLWDDUSPHLF-OAQYLSRUSA-N 417.465 4.159 0 1 HIAF COc1ccccc1OCCNCC[C@H](O)COc1cccc2[nH]c3ccccc3c12 96939444 VBBGWGDRJBZUHP-SFHVURJKSA-N 420.509 4.128 0 1 HIAF CC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n([C@H]3CC[C@@H](O)CC3)c2n1 101469882 SFDUUFDVJHFBRB-JOCQHMNTSA-N 402.449 4.144 0 1 HIAF CC(=O)N1C[C@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4cccnc4s3)ccc12 101656208 MCQDKCRFPCIJBM-CVEARBPZSA-N 420.494 4.035 0 1 HIAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(C(F)(F)F)cc4)ccc31)[C@H]1CC[C@H](C2)N1 116588275 VZUXJXGRENJAPJ-CXAGYDPISA-N 420.456 4.379 0 1 HIAF O=C(NCC(F)(F)F)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 142720344 KMGZNJPEAFRRAY-UHFFFAOYSA-N 411.767 4.261 0 1 HIAF Cc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C(=O)O)nc1 143216856 GWHMFZRXPZARIW-UHFFFAOYSA-N 418.384 4.215 0 1 HIAF C[C@]1(C(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccccc2O1 143529150 TVLDHXOVDMTRML-IIBYNOLFSA-N 401.413 4.240 0 1 HIAF CC(C)n1cc(-c2cc(C(N)=O)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144879237 DNQNLKVQRDQOHB-HXUWFJFHSA-N 401.388 4.009 0 1 HIAF Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C(F)(F)F)ccc5[nH]4)c3N)ccc2[nH]1 149889660 QTURBRSPQSBVKB-UHFFFAOYSA-N 424.386 4.370 0 1 HIAF C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCN(Cc4ccccc4)CC3)[C@@H]2CC/C(C)=C\CC1 169366091 OQBCSYQAFVLXSV-WVYUZSIGSA-N 408.586 4.429 0 1 HIAF Cc1cc(CN2CCCC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O 169711354 ILVRAOHQHPUFCP-UHFFFAOYSA-N 416.521 4.214 0 1 HIAF COC(=O)c1ccc2[nH]c([C@@H]3C(=O)Nc4c(Br)cccc43)c(N=O)c2c1 169729500 PZBIEAMWQJHGEF-CYBMUJFWSA-N 414.215 4.199 0 1 HIAF Cc1c(C2CC2)nc2ccc(-n3cnc(OCc4ccc(Cl)cc4)cc3=O)cn12 223495761 VZHNRUAJJOZQFL-UHFFFAOYSA-N 406.873 4.298 0 1 HIAF c1cnc2ccc3nc(CSc4nnc(-c5ccc6c(c5)OCO6)o4)[nH]c3c2c1 586969125 GTSROCDPBXYOTF-UHFFFAOYSA-N 403.423 4.182 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587111203 AWMINMHIYBRFPS-UHFFFAOYSA-N 420.416 4.047 0 1 HIAF CN(C)C(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587184755 VOCWSDSJCWHNAV-RMKNXTFCSA-N 417.250 4.040 0 1 HIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587233882 WGAPNKQKDPADTA-JQWIXIFHSA-N 424.295 4.184 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc4c(C)c(C)c(=O)oc4c1)[C@@H](C2)C3=O 587454531 UFSWCSSDGITHJQ-XZLBEJRYSA-N 420.461 4.392 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H]1COCCN1C(=O)OC(C)(C)C)CC2=O 587475485 MIAHTIHPPOITMF-CMJOXMDJSA-N 419.518 4.095 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](COc1ccc(C)cc1)(CC(=O)OCC)CC2=O 587478648 GTQGMALGDXLOOD-XMMPIXPASA-N 412.482 4.389 0 1 HIAF COC(=O)C[C@]1(c2ccc(OC)cc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587527676 XVGBJFILQDDDFO-DEOSSOPVSA-N 410.466 4.006 0 1 HIAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2oc(N)nc2c1 587747976 TVDWQYHCIJWOBC-GIGQVBGESA-N 404.283 4.418 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccncc12 587778871 OLEPWHOCZLQKSL-YTEVENLXSA-N 423.285 4.354 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cnccc12 587779633 VARXYTZZULDGCC-YTEVENLXSA-N 423.285 4.354 0 1 HIAF COCOc1ccc(OC)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805565 HOUPIIMBWILSDM-WYRIXSBYSA-N 410.283 4.203 0 1 HIAF C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2N1 587874080 PKYFXPJQQLXVHD-XLKFXECMSA-N 407.327 3.987 0 1 HIAF Cc1cc(=NC(=O)C2=NN(Cc3ccc(Cl)cc3Cl)[C@@H]3CCCC[C@@H]23)cc[nH]1 1772587614 KYTWPSNBOPLVOE-IEBWSBKVSA-N 417.340 4.488 0 1 HIAF N=c1[nH]c2nc(SCc3ccccc3)nc(N3CCc4ccccc4C3)c2s1 1911573579 SJDAHEDGOXKZLG-UHFFFAOYSA-N 405.552 4.354 0 1 HIAF COCCCn1cc(-c2cnc(N)c(O[C@@H](C)c3cc(F)ccc3Cl)c2)cn1 1911583486 GJMOWPNLZOPPJD-ZDUSSCGKSA-N 404.873 4.496 0 1 HIAF O=C(O)Cc1cccc2c1O[C@@H](c1ccccc1)[C@](Cl)(C(=O)c1ccccc1)C2=O 1646825 FZHHXKOSWGNPIC-ZEQRLZLVSA-N 420.848 4.491 0 1 HIAF COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)O)cc1 13445210 KPCVBFADIPEUHP-NRFANRHFSA-N 423.896 4.370 0 1 HIAF COc1ccc(-c2c(C)nn(C)c2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22938157 ANZFXGLNFJTREE-DHLKQENFSA-N 404.558 4.295 0 1 HIAF CC(C)(O)CN1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1 33988467 IFPKSZLFAROIEX-UHFFFAOYSA-N 411.937 4.137 0 1 HIAF COC(=O)c1ccc(OCCC2CCN(c3cc(Cl)nnc3Cl)CC2)cc1 40407996 OTBJHXDDTNEJFI-UHFFFAOYSA-N 410.301 4.256 0 1 HIAF O=C1Nc2ccc(Cl)cc2[C@](CNC(=O)c2cccc(F)c2)(C(F)(F)F)O1 45284834 KIEMSKALVBHZRU-MRXNPFEDSA-N 402.731 4.229 0 1 HIAF O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc2c1OCCCO2 45356853 NUXXTWHMPSVXPE-UHFFFAOYSA-N 417.421 4.062 0 1 HIAF Brc1ccc(Cn2cc[n+](Cc3ccc(Br)cc3)c2)cc1 58538467 CJQNCTOPKFZMRF-UHFFFAOYSA-N 407.129 4.397 0 1 HIAF COc1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1OC 64528388 OLTIVKUURGXQBZ-UHFFFAOYSA-N 410.433 4.193 0 1 HIAF CCOc1ccccc1-c1nc(CN(C)Cc2cc(OC)c(OC)c(OC)c2)co1 72182229 HSUGWJHDCQUCLJ-UHFFFAOYSA-N 412.486 4.398 0 1 HIAF C1=C(c2c[nH]c3ccccc23)CCN(C[C@H]2COc3ccc4c(c3O2)OCCC4)C1 72278213 VEYSNNSGYOHTJI-IBGZPJMESA-N 402.494 4.422 0 1 HIAF Fc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)c1 84603114 YFYKNWMQDGMNCV-UHFFFAOYSA-N 423.517 4.119 0 1 HIAF COc1ccc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)cc1 95574464 SMSWJWMOZMPDKT-RUZDIDTESA-N 410.452 4.302 0 1 HIAF O=C(COC(=O)c1ccc(NC(=O)c2cccc(O)c2)cc1)c1ccc(Cl)cc1 95579491 WVBXAXVBWKEIBM-UHFFFAOYSA-N 409.825 4.338 0 1 HIAF CC(C)C[C@H](CO)Nc1nc(SCCCc2ccccc2)nc2nc(N)sc12 95603878 XHLNLGDWWRFFBW-OAHLLOKOSA-N 417.604 4.212 0 1 HIAF Cc1nc(-c2ccccc2Cl)cc(C(=O)N2CCN(c3ccccn3)CC2)c1C 95771634 XNBNPCOUBZJHKH-UHFFFAOYSA-N 406.917 4.376 0 1 HIAF O=C(O)[C@H]1CCCN(c2cc(C(F)(F)F)nc3ccc(Br)cc23)C1 102756265 XETGRZBAQGVZIY-VIFPVBQESA-N 403.198 4.317 0 1 HIAF CC(=O)N1[C@H]2CC[C@H]1c1c(-c3cccc(C#N)c3)nn(Cc3ccc(F)cc3F)c1C2 204897725 IPAJIOJPIIOEBO-FPOVZHCZSA-N 418.447 4.356 0 1 HIAF CN1CCC(c2cc3c(-c4cncc(N(C)Cc5ccccc5)n4)ccnc3[nH]2)CC1 226050847 WHEQLBQUANZKFV-UHFFFAOYSA-N 412.541 4.466 0 1 HIAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C)cc(Br)c3[nH]2)cc1 586941973 YWOMEJSZYSXETL-FPLPWBNLSA-N 420.332 4.033 0 1 HIAF O=S(=O)(NCCc1nc2cccc(Cl)c2[nH]1)c1c(Cl)cccc1Cl 586943530 ZQBLCPTUTNEMTM-UHFFFAOYSA-N 404.706 4.044 0 1 HIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586962522 FSVCRUBSMVJYOG-GOSISDBHSA-N 406.515 4.442 0 1 HIAF Clc1cnn(COc2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)c1 587082090 JYOMVHAHPHIIAA-UHFFFAOYSA-N 404.655 4.274 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3ccc(Br)cc3[nH]2)C(F)(F)F)n1 587093493 FKEXPYWUTLRFLO-ZDUSSCGKSA-N 406.227 4.083 0 1 HIAF COC(=O)c1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cn1 587127891 BQJOCDMYHKCXMU-RXMQYKEDSA-N 405.739 4.079 0 1 HIAF FC(F)(F)c1ncc2nc(-c3cc(I)ccc3Cl)nc-2[nH]1 587182530 IVLJQSPKQJRIGP-UHFFFAOYSA-N 424.551 4.248 0 1 HIAF COC(=O)C[C@@]1(C2CC(F)(F)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334562 OZWJGLBZQASZIR-UGKGYDQZSA-N 420.383 4.237 0 1 HIAF COC(=O)[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355222 WWYMBZWCIUIYPL-RCZVLFRGSA-N 420.436 4.435 0 1 HIAF CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C12CCOCC2 587356081 HXEFEZTUIMCFCT-ZFGGDYGUSA-N 412.457 4.235 0 1 HIAF COC(=O)[C@@H](C)[C@]1(c2cccc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587377206 LPRXOFFDOJQYOD-ODXCJYRJSA-N 418.287 4.010 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587420129 DQZPETUKJBQDOM-YWZLYKJASA-N 405.372 4.249 0 1 HIAF C[C@H](Oc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C(=O)O 587592363 GSCUFGPJFLZVGM-QRUVEDRTSA-N 420.417 4.121 0 1 HIAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2nsnc12 587618322 NSGOLFAOLSLYQT-JTSKRJEESA-N 419.462 4.166 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Br)c2)N1 587679857 HHFWNNTYNTWGLQ-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccco2)N1 587707372 UOFYPMHGUDJYFO-JDNHERCYSA-N 420.200 4.481 0 1 HIAF COc1ccc([C@@]2(CCN(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587738736 CJBQBFOAFPLMIJ-SPLOXXLWSA-N 421.354 4.326 0 1 HIAF Cc1cccnc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587741102 FYZVWPCXFWYQPT-HXPMCKFVSA-N 406.299 4.070 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2Cc3ccccc3C(=O)O2)N1 587832334 JNHNAUDDFBDUPS-BFKBOQTRSA-N 404.279 4.119 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C(C2CCOCC2)(C2CCOCC2)N1 587833312 FUHHMDLERLYITI-ZDUSSCGKSA-N 412.343 4.171 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1ccccc1Cl 587867618 BBEIVWDSJSRVFX-UHFFFAOYSA-N 410.783 4.378 0 1 HIAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(O)nc(O)nc2[nH]1 587949523 VUAFTRGPYVCQIC-DVOMOZLQSA-N 410.474 4.049 0 1 HIAF O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(Cl)c4)[nH]c3n2)C1)N1CCCC1 1772572161 OQYHERKWLIKWBJ-MRXNPFEDSA-N 409.921 4.117 0 1 HIAF CC(C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356477580 AJBRSFMZZWORQQ-ZYKNEXTASA-N 418.618 4.119 0 1 HIAF C[C@H]1CC(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@]46C[C@@H](O)[C@]3(C)[C@@H]12 2356495509 UMLHBLLBOOEXQG-KXGKVOHZSA-N 416.602 4.319 0 1 HIAF CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(cccc2N2CCCCC2)O1 96021310 UUQXZSJPCVWLMU-LJQANCHMSA-N 424.607 4.045 0 3 HIAF COc1ccccc1-c1cccc2c3c([nH]c12)[C@@H]1C[C@H]2[C@@H](CN1CC3)[C@H](C)ON2C 203467471 HKZKXVLWXCQJQW-JNHSIYEJSA-N 403.526 4.397 0 3 HIAF CCCCc1ccc(Nc2nc(Cl)c3c(ncn3COCCOC(C)=O)n2)cc1 1647875 WYDSAAWBURLMSO-UHFFFAOYSA-N 417.897 4.103 0 1 HIAF COc1ccccc1CN1C(=O)CN(C2CCCCC2)C(=O)[C@@H]1c1ccccc1C 3037277 HGTNUIZGCUETGE-DEOSSOPVSA-N 406.526 4.248 0 1 HIAF O=C(c1ccccc1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2 13493092 AFXANIIGPDJVPQ-QHCPKHFHSA-N 410.429 4.002 0 1 HIAF O=C(O)C[C@](O)(CSCCCCCCc1c(Cl)cccc1Cl)C(=O)O 13758145 FSCMYMQZMXVZDA-KRWDZBQOSA-N 409.331 4.120 0 1 HIAF CCCCO[C@@H]1OC[C@@H](Cc2ccc(O)c(OC)c2)[C@@H]1Cc1ccc(O)c(OC)c1 14642282 OMCHYMLRSCWZQB-YDIMBITNSA-N 416.514 4.306 0 1 HIAF biogenic COc1cccc(CN2N=C(c3ccc(OC)c(OC)c3)[C@@H]3CCCC[C@@H]3C2=O)c1 26572258 RLKUDKVBRRKFID-UXHICEINSA-N 408.498 4.265 0 1 HIAF Cc1cc(C)cc(-c2c(OC[C@H]3CN(C)CCO3)c3ccc(Cl)cc3[nH]c2=O)c1 26579104 RSTRADAHRRNBJB-GOSISDBHSA-N 412.917 4.175 0 1 HIAF COc1cc2cc(OC)c1OCCOCCOc1ccc(cc1)[C@@H]1OC(C)(C)O[C@H]21 28954128 ZGJZYBBVQQHIJN-LEWJYISDSA-N 416.470 4.057 0 1 HIAF COc1ccc(CN2CCN([C@H](c3ccccc3)[C@H](O)c3ccccc3)CC2)cc1 39238983 LYTUIICOBLXIQR-CLJLJLNGSA-N 402.538 4.288 0 1 HIAF CN1C(=O)[C@H](Cc2ccc(-c3cccc(O)c3)cc2)NC(=O)c2cc(Cl)ccc21 40762651 BCEJTSRDTVUVRS-FQEVSTJZSA-N 406.869 4.030 0 1 HIAF COc1cc(OC)cc([C@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)c1 64274560 QGVWXFRKSHNFGQ-LJQANCHMSA-N 403.276 4.164 0 1 HIAF CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1 71316864 PIOIZXPRZMZSES-UHFFFAOYSA-N 402.498 4.326 0 1 HIAF Cc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100633069 MBLXBNBLRGWUNA-KXBFYZLASA-N 419.550 4.160 0 1 HIAF COc1cc2[nH]c(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)cc2cc1Cl 150124378 RDFNGKQMOZKREL-UHFFFAOYSA-N 420.860 4.014 0 1 HIAF COc1cc(-c2ccc3c(/C=C/c4ccc(NC(=O)CN)cc4)n[nH]c3c2)ccc1O 167045816 IREATOXCIIIDEG-ONNFQVAWSA-N 414.465 4.012 0 1 HIAF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCCc1ccccc1)c1ccccc1 299867588 QIVLIHIIKZYBAH-DEOSSOPVSA-N 412.489 4.295 0 1 HIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(I)c2[nH]1 586881471 GEVIGHQGNGJTMP-UHFFFAOYSA-N 418.234 4.096 0 1 HIAF N[C@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(Br)cc1F 587143186 ZTMWVVGHANLDOS-SNVBAGLBSA-N 404.070 4.409 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(Br)nc2[nH]1 587167035 FUQMUPMHKJHBSU-ZDUSSCGKSA-N 404.243 4.229 0 1 HIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587244888 OHXUOBHQGIARNU-UHFFFAOYSA-N 401.348 4.116 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)nc(N2CCCC2)c1 587569058 KAWBRKUUVVPING-REWPJTCUSA-N 406.413 4.229 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCn1c(O)nc3cccc2c31 587588600 UEIURNUMRKYLJC-DVECYGJZSA-N 414.417 4.098 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)C(Br)=C2F)N1 587739697 VLQIJNVFUDXMHI-ANRSDYALSA-N 420.095 4.310 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3ccccc3)nn2)N1 587761795 WGZITXRPYXYVFF-RNODOKPDSA-N 415.310 4.026 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCCNC2)N1 587797914 SRQVADOOVJUEIQ-DAESXHAQSA-N 403.339 4.366 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C(=O)O)cc1 587865246 YLAGJIVHUUUWJX-UHFFFAOYSA-N 404.344 4.354 0 1 HIAF COc1ccc(NC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587869706 PIVQRZWEPXEBPI-UHFFFAOYSA-N 408.405 4.226 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@@]1(CC(C)(C)C2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730526 NWDGJWLKGATXJA-SZNDQCEHSA-N 421.415 4.148 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(Cl)cc2Cl)NCCc2c1c(C(C)C)nn2C 962912945 PUHWQUPUQSPWRU-FQEVSTJZSA-N 410.345 4.193 0 1 HIAF CCc1cccc(NC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)n1 1857643088 HEUCNNISZPLMTE-UHFFFAOYSA-N 405.408 4.375 0 1 HIAF COC1(c2cc(F)cc(OCc3ccc4c(c3)C(C)(C)C(=O)N4C)c2)CCOCC1 13725498 BLCAZWOMEBBONF-UHFFFAOYSA-N 413.489 4.311 0 1 HIAF NS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2cc(Cl)cc(Cl)c2)cc1 27088346 NTJUKOBMYGBALR-UHFFFAOYSA-N 402.690 4.147 0 1 HIAF O=C(CCC1CCN(Cc2ccccc2)CC1)c1cc2c3c(c1)CCN3C(=O)CC2 34010727 OCBMJTVTNDLOSK-UHFFFAOYSA-N 402.538 4.397 0 1 HIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 58569134 JMYIOPXOWQIGMI-QGZVFWFLSA-N 411.420 4.455 0 1 HIAF Cc1cc(N2CC[C@H](CN3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(CO)cc1 59264266 DKQIZBBOUKKSND-PZJWPPBQSA-N 407.558 4.050 0 1 HIAF Cc1ccc(CNCC2(F)CCN(C(=O)c3cc4sccc4s3)CC2)nc1 64539879 CDEMNZGJOJSDDX-UHFFFAOYSA-N 403.548 4.400 0 1 HIAF CC[C@H](NC(=O)c1c([S@@](C)=O)c(-c2cc[nH]n2)nc2ccccc12)c1ccccc1 66113365 FNHAPQPIDKBLEM-ZOKDDAQRSA-N 418.522 4.243 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccccc1 82133375 ONCMVHUDPMAGJJ-INIZCTEOSA-N 420.513 4.301 0 1 HIAF C[C@@H]1CCC/C=C/CCC(=O)C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1 169291716 KMKZBIGDFUKDCN-JGTVVVNJSA-N 402.531 4.124 0 1 HIAF CC[C@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@@H]1c1ccccc1 169345783 LBSXDTWIFKMNQR-IAQYHMDHSA-N 403.269 4.440 0 1 HIAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCCOC4)n3)c(Cl)cn2)CC1 261185769 XJYNNRFFUUQEFR-BRWVUGGUSA-N 416.953 4.351 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@H]2CCCC[C@@H]21 587027117 PJYGSSNNENOWFA-RDBSUJKOSA-N 401.923 4.094 0 1 HIAF N[C@@H](c1ccsc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587028116 VUWSFMBGHSCVFI-KRWDZBQOSA-N 418.931 4.127 0 1 HIAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3ccnc(O)c3[nH]2)cc1OC 587058538 WYRYQDHBZCVSCP-UHFFFAOYSA-N 424.844 4.253 0 1 HIAF Cc1cc(Br)cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587162928 HIILATVJTUMUKE-UHFFFAOYSA-N 415.266 4.051 0 1 HIAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ncnn12 587371738 FVWBUTBHJXISRY-DYESRHJHSA-N 409.442 4.218 0 1 HIAF C[C@]1(c2cc(CC(=O)O)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374522 KRKNTSRALSAGOB-RBBKRZOGSA-N 412.438 4.494 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(Cl)c(N)cc41)[C@@H](C2)C3=O 587420148 HHNITLYLGMYTOT-BXKMTCNYSA-N 417.848 4.166 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OC[C@@H]1CCCO1)[C@@H](C2)C3=O 587420722 QYYZMQKQWAHHEY-JKXTWKSPSA-N 400.858 4.395 0 1 HIAF COc1ccc(Cn2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)nn2)cc1 587517508 OSXAYQBECSXSOH-XMMPIXPASA-N 403.482 4.094 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550870 CJVKKZNPJYPEOT-HTAPYJJXSA-N 407.809 4.163 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576443 HARLLPURGFNWBI-XUZZJYLKSA-N 419.433 4.236 0 1 HIAF COC1=C(Br)[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587681552 LHNQHVXRXOTBPG-GLEZIHRCSA-N 405.105 4.364 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccc(Cl)nn23)N1 587706923 SOXKQHVGTRHEHW-XYZCENFISA-N 409.690 4.082 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587735213 XFTILGGSEFZGOG-ODXCJYRJSA-N 424.285 4.458 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)NC3CC3)cc2)N1 587739608 BPOXZQSZTJKXHF-WLRWDXFRSA-N 403.295 4.104 0 1 HIAF C=CN1CCCC[C@H]([C@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587769120 XCCKVAGWMOLKSV-PCMMCCAGSA-N 421.354 4.500 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N(C)C)nc2Cl)N1 587850896 FZSWGPIODPXFRU-KRTXAFLBSA-N 404.736 4.388 0 1 HIAF CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cc(O)cc(C(=O)O)c1 587926862 RIVHLDGMOSEPQL-UHFFFAOYSA-N 419.474 4.412 0 1 HIAF Cc1c(O)nc(N(C)Cc2n[nH]c3ccccc23)nc1[C@H](C)c1c(F)cccc1F 653736120 OEFYMABYLFVPPB-GFCCVEGCSA-N 409.440 4.433 0 1 HIAF OC[C@@H]1CCCN1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 653748840 SVYXTYIVXDKQGY-IBGZPJMESA-N 408.571 4.031 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3cn(C)cn3)nc(Cl)c2C)s1 653805832 RRRWGGNSFDQDHO-KGLIPLIRSA-N 418.954 4.040 0 1 HIAF C[C@]1(c2ccc(N)cc2Cl)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963184690 SWSXQQHAPXWEBT-CXAGYDPISA-N 419.230 4.457 0 1 HIAF C[C@H](C[C@]1(c2ccccc2F)c2cccc(Br)c2CCN1C)C(=O)O 963282810 XVPMCNQOOLJHTA-ZUOKHONESA-N 406.295 4.431 0 1 HIAF C=CC(=O)Nc1cccc(-c2c(C)oc3ncnc(N[C@H](CO)c4ccccc4)c23)c1 1857550020 NDSATCLABPNXCF-LJQANCHMSA-N 414.465 4.468 0 1 HIAF Cn1cccc1-c1cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccn2)[nH]n1 13595234 SFBMMSWLODLMIY-XMMPIXPASA-N 422.492 4.079 0 3 HIAF COc1cc(OC)c(C(=O)Nc2cccc3c2CCN(C)[C@@H]3C)cc1Br 2004913 VLYHYDMUTKXEGI-GFCCVEGCSA-N 419.319 4.268 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4212180 ZDDUUZIKQUZSEB-WTOYTKOKSA-N 403.567 4.166 0 1 HIAF O=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCN(c2ccccn2)CC1 4940349 GGQLZYDDDNJOGH-UHFFFAOYSA-N 406.917 4.124 0 1 HIAF CCCC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@H](C(C)(C)O)O2 13461268 OBYOQQBVJXSKIF-QGZVFWFLSA-N 408.450 4.223 0 1 HIAF endogenous,in-man Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCOCC2)cc1C 20381439 DCPZTYFARQTCGT-UHFFFAOYSA-N 416.930 4.174 0 1 HIAF CC(=O)Nc1cccc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)c1 28571820 FVYWIEGGEGDGHL-UHFFFAOYSA-N 409.442 4.416 0 1 HIAF CC(=O)c1cccc2c1N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1c1ccccc1O2 29037499 BKMGRBUWKMJIOY-MAUKXSAKSA-N 404.388 4.384 0 1 HIAF CCCCNC(=O)Nc1c(OCCN2CCCCC2)c(OC)c2occc2c1OC 29400931 OZROGTSJISKOTM-UHFFFAOYSA-N 419.522 4.236 0 1 HIAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc3ccccc3n2)C(=O)O1 45496163 DRXBCTFIEPSCHE-NAJSETDRSA-N 411.498 4.056 0 1 HIAF Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccncc1 49045343 UTPMGJDMFOXBGR-UHFFFAOYSA-N 407.214 4.161 0 1 HIAF CC(C)(C)C(=O)N1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 72186621 POOVZUQLHIJQQQ-IBGZPJMESA-N 405.464 4.380 0 1 HIAF COCCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccco2)n1 82142849 ROIUSKVLEZCXNJ-UHFFFAOYSA-N 408.502 4.236 0 1 HIAF CCCCCNc1ncnc2c1nc(C(CC)CC)n2CCCN1CCCC1=O 82196936 CYBTWZIVPXVILZ-UHFFFAOYSA-N 400.571 4.345 0 1 HIAF CCOc1ccc(-c2nc(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 84669609 WPNSPTGQIDQLIP-UHFFFAOYSA-N 414.483 4.048 0 1 HIAF C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1cc(=O)n(-c3ccccc3)nc1-2 84670942 DCJCWQYEFYHXTK-LJQANCHMSA-N 415.537 4.251 0 1 HIAF CC1(C)CCN([C@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)C(=O)c2cnn(-c3ccc(F)cc3)c21 101668383 BFXQFSUOOFMKKB-HJPZMGHTSA-N 423.532 4.075 0 1 HIAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCCCCN1CCCC1 103271036 BJVVFLIVCWEADR-UHFFFAOYSA-N 409.482 4.429 0 1 HIAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc2c(c1)OCO2 104039060 PDLNIEINDFPKHS-HNNXBMFYSA-N 411.483 4.483 0 1 HIAF CC(C)Nc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c1 116590298 ZQYAXECAHPPKQG-UZLBHIALSA-N 409.555 4.181 0 1 HIAF COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCCC5)cc4c3)n2)c1 144190617 PVLYTAUZLOERCO-UHFFFAOYSA-N 414.469 4.008 0 1 HIAF O=C(NCCc1cccs1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 165805009 OXVGLFHVJISYJQ-UHFFFAOYSA-N 409.486 4.407 0 1 HIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(N2CCCCC2)n1 166313916 LOJGRVWMQAEVDP-IBGZPJMESA-N 409.530 4.343 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C(C)=O)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 169370540 DIISWROLLPLGMW-LWDIIJGKSA-N 416.606 4.251 0 1 HIAF C[C@H]1c2ncnc(-c3ccn[nH]3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 225927826 CJGMJEYIRWOWHA-JTQLQIEISA-N 421.810 4.298 0 1 HIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 586881847 YQPFEZBURQMSAX-UHFFFAOYSA-N 406.463 4.307 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(F)c(OC)c(F)c3)nc2c1 587134799 NERSPTGRKKRLLT-UHFFFAOYSA-N 411.202 4.456 0 1 HIAF Fc1ccc(Br)c(-c2nnc(CCc3nc4cncc(Cl)c4[nH]3)o2)c1 587158008 SWFBQZQCYXVTMF-UHFFFAOYSA-N 422.645 4.348 0 1 HIAF Cn1cnc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cnc21 587343143 RXWQJAFUUJAVAO-NFBKMPQASA-N 403.413 4.087 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@H](C1)N3C(=O)OCc1ccccc1)O2 587398480 HVIRXLUGSJVFNL-MRSFGVLCSA-N 406.482 4.245 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 587412049 LSQJOZSOTCPXIT-DQEYMECFSA-N 415.445 4.306 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1sccc1Br)[C@@H](C2)C3=O 587450374 FRFKQOJSMFFEOU-HIBZPZJXSA-N 420.328 4.237 0 1 HIAF Cn1nccc1C(=O)Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517474 NZXVCSQXGXZQRN-JOCHJYFZSA-N 402.450 4.225 0 1 HIAF Nc1ccccc1[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578198 MXBOVXBBDHCXNH-DHLKQENFSA-N 410.429 4.275 0 1 HIAF CC1(C)Cc2nc(N)sc2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587616788 GYVQYATZYMLWPL-ZHRRBRCNSA-N 408.479 4.260 0 1 HIAF COc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1OC 587656447 KRDCKUMDAWLEJI-UHFFFAOYSA-N 422.387 4.047 0 1 HIAF Cc1[nH]nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Br 587680894 QSWUAHZHCBCTJN-DAZKTRTLSA-N 403.093 4.006 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)O)c3ccccc23)N1 587754570 DYXFWENEEHJLEU-GIPWTMENSA-N 417.278 4.251 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Cn2cccn2)N1 587755487 ACKNMIJDNPSJRE-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587755684 PSQXHNAFIHINBQ-DJJJIMSYSA-N 415.310 4.409 0 1 HIAF CC(C)NC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587756510 QXLGYPOVQPVFIT-HXPMCKFVSA-N 405.311 4.350 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C(N)=O)cc1 587859561 ZVFSUXQGVDSPBA-UHFFFAOYSA-N 404.253 4.043 0 1 HIAF O=C(O)c1cc(-n2c(O)cc(-c3ccccc3Cl)c2O)c(Br)cn1 587940497 PPLRBAODSTZCES-UHFFFAOYSA-N 409.623 4.065 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587954822 AXOXQVOPMNVNAC-IBGZPJMESA-N 405.523 4.188 0 1 HIAF OC[C@H]1CCCN1CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 653748841 SVYXTYIVXDKQGY-LJQANCHMSA-N 408.571 4.031 0 1 HIAF Cn1cc2c(-c3cc(F)c(Cn4cnc5ccccc5c4=O)c(F)c3)cccc2n1 653864004 BSPQQUALYZXPRE-UHFFFAOYSA-N 402.404 4.277 0 1 HIAF COc1cc2c(cc1OC)[C@@](C)(c1ccc(Oc3ncccn3)cc1)N(C)[C@@H](C)C2 962642743 ZTJIUXAPNKLCLU-UPCLLVRISA-N 405.498 4.426 0 1 HIAF C[C@@H]1CC(=O)CC(C)(C)[C@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963167240 DRVLTVJQMUYQCC-OETHJERPSA-N 403.828 4.178 0 1 HIAF CCN(C(=O)CCn1c([C@H]2CCCNC2)nc2cc(F)ccc21)C1CCCCC1 1857535923 AUWALAVJLICNFA-KRWDZBQOSA-N 400.542 4.214 0 1 HIAF CC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccccc4F)cc3)CC2)CC1 1857550237 PPRHLPBOGCVZID-UHFFFAOYSA-N 416.562 4.378 0 1 HIAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1OC)O[C@@](C)(CC)C=C2Cl 1857616272 MWWWWJZXLKNAMH-NQIIRXRSSA-N 420.893 4.027 0 1 HIAF C[C@H]1CCCCN1CCCNCCc1ccc(CNCCCN2CCCCC2)cc1 1857746219 VKJBWMDBBXZFCL-DEOSSOPVSA-N 414.682 4.049 0 1 HIAF O=C(CSc1nnc(C2CCCCC2)n1Cc1ccccc1)NCc1ccco1 19096994 JTMGXLKIUVADQA-UHFFFAOYSA-N 410.543 4.376 0 3 HIAF CC(C)C[C@@H]1[C@H](C(=O)O)[C@H]1[C@@](N)(CC1c2ccccc2Oc2ccccc21)C(=O)O 4394186 RQZMFVKQWUAIHP-ZWBFNDLWSA-N 409.482 4.089 0 1 HIAF C[C@@H]1c2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)Nc1ccccc1)OCO3 13604073 DGSDGMHHRLAROS-CQSZACIVSA-N 400.438 4.359 0 1 HIAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 22941503 WVYXCJHHNDTVPH-MRXNPFEDSA-N 418.368 4.089 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1N 26951584 BCKQSIZBCMVWRU-DWPRXLCISA-N 407.558 4.121 0 1 HIAF CCCc1c(OCCC[C@@H](C)Oc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28386624 JTBAAXDGWHRIAA-OAHLLOKOSA-N 424.501 4.354 0 1 HIAF CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)c(F)c2)cc1 29405067 BCERWURYDCGIMY-UHFFFAOYSA-N 417.359 4.208 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)c3cc[n+](CCS(=O)(=O)O)cc3CC[C@H]21 38898072 FVJKDVMYGYXUKD-VAPSRWTKSA-O 406.612 4.308 0 1 HIAF CCN(C)C(=O)c1cnc(NCCc2ccccc2OC)nc1-c1cccc(C)c1 82147823 PJVHCHKDCQEGJV-UHFFFAOYSA-N 404.514 4.207 0 1 HIAF CCCCNC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccccc1F 82150961 KGVRWEDRCCZBOO-UHFFFAOYSA-N 422.504 4.476 0 1 HIAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc31)[C@H]1CC[C@@H](C2)N1 82158634 WSRBKUJVSSSBNG-SUMWQHHRSA-N 420.456 4.379 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3cn[nH]c3)cc2F)n1 142135621 NUGZRHMFACKMCC-SCLBCKFNSA-N 410.453 4.160 0 1 HIAF COc1ccc(Nc2nc3ccc(NC(=O)Nc4ccccc4)cc3[nH]c2=O)cc1 169700551 BEIDTMNTWXSCKC-UHFFFAOYSA-N 401.426 4.319 0 1 HIAF C[Si](C)(C)CCOCn1c(Sc2c(Cl)cccc2Cl)cc(=O)[nH]c1=O 195523722 OUHVOWWFOIHDDW-UHFFFAOYSA-N 419.406 4.307 0 1 HIAF FC(F)c1cccc(-c2nc(NC3CC(F)(F)C3)nc(NC3CC(F)(F)C3)n2)n1 223110568 CMDVCIGBLUTSCG-UHFFFAOYSA-N 418.345 4.290 0 1 HIAF COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H]1[C@@H](O2)OC(C)(C)[C@@H]1OC(C)=O 238765098 XMJHOTVIJNLONQ-MZYLBHOOSA-N 422.433 4.011 0 1 HIAF COC(=O)[C@]1(/C=C\[C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@H]21 299813680 KAZMGBQDEYZMGJ-ZJYHYVITSA-N 409.320 4.297 0 1 HIAF CCOC(=O)c1cc(Br)c2nc(C3=Cc4cccc(O)c4OC3)[nH]c2c1 586908844 SJEMYCUUXXHUFU-UHFFFAOYSA-N 415.243 4.141 0 1 HIAF Cc1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2n1 587007294 GLKNLYZAMIDLBM-UHFFFAOYSA-N 411.259 4.465 0 1 HIAF FC(Br)(Br)c1nc2c(Cl)c(Br)cnc2[nH]1 587087229 CDHLFHZPXVDOAD-UHFFFAOYSA-N 422.277 4.243 0 1 HIAF CCCc1nc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)nn1-c1ccccc1F 587157245 YNDUYOAOSTWNRV-UHFFFAOYSA-N 405.412 4.227 0 1 HIAF COc1cc(N)c(I)cc1-c1nc2ccc(Cl)c(C)c2[nH]1 587180208 KJMMHFDEURKDRY-UHFFFAOYSA-N 413.646 4.387 0 1 HIAF Nc1ccc2oc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2c1 587251857 NRIWURKVDRIIJC-UHFFFAOYSA-N 410.602 4.211 0 1 HIAF CC(=O)Nc1ccc(Br)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587378588 VYCSDEWJZQFXNK-IBGZPJMESA-N 403.276 4.179 0 1 HIAF COc1ccc(C(=O)Nc2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 587432993 OBWDDJMGSBHPBK-HYBUGGRVSA-N 415.445 4.445 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccc(N)cc2)N1 587747819 SBNAACFCUOFPLF-ASSNKEHSSA-N 412.306 4.392 0 1 HIAF COc1nc(N2CCCC2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587765977 LPHLMHRQPOAZGU-BUXKBTBVSA-N 420.326 4.216 0 1 HIAF CC[C@@]1(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CC(=O)c2ccccc2C1 587962202 VSMXCWSXKUVFFF-VWLOTQADSA-N 402.542 4.083 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)NC21CCC(N(C)C(=O)OC(C)(C)C)CC1 963643351 ZTARFBAZVKEZOP-HJUABHRKSA-N 404.551 4.243 0 1 HIAF Cc1cc(=O)oc2cc(NC(=O)c3ccc4ncn(C(=O)OC(C)(C)C)c4c3)ccc12 1772632680 ZLOCBPULTPFJLN-UHFFFAOYSA-N 419.437 4.487 0 1 HIAF CCCSc1ccc2c(cc1=O)[C@@H](N)CCc1cc(OC)c(OC)c(OC)c1-2 1857652735 MFWXZALFPLVKAV-INIZCTEOSA-N 401.528 4.188 0 1 HIAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@@H]1Cc1nc2cccnc2[nH]1 2356305871 OCTAJGSIXUSXQB-AQNXPRMDSA-N 403.530 4.180 0 1 HIAF COC(=O)[C@@H]1CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccccc3)[C@H]12 2356390926 MYUACHJYYCBZTB-HOMGCFHVSA-N 414.542 4.244 0 1 HIAF COC(=O)C=C(OC)[C@H](C)[C@H](C=Cc1csc([C@@H]2CSC(C(C)C)=N2)n1)OC 2356621668 MKHXEKLNLZKVLK-KBMXLJTQSA-N 424.588 4.353 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2Cl)cc1 61948683 HCLCGFNUGXOJBD-NRFANRHFSA-N 411.914 4.343 0 3 HIAF CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc23)CC1 13611778 MLLKJGGUSYHRQW-UHFFFAOYSA-N 420.538 4.326 0 1 HIAF COc1ccc2[nH]cc(CCNCc3ccc(I)cc3)c2c1 13737393 VZBJDERSSBSPTG-UHFFFAOYSA-N 406.267 4.113 0 1 HIAF COc1ccc(F)cc1C[C@H](N)COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1 14961716 LDEDKSSJQNWMBW-IBGZPJMESA-N 406.461 4.030 0 1 HIAF Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCC(C)C)CC(=O)N23)cc1 15953621 VZUGWTAVVSNFNP-RDGATRHJSA-N 415.537 4.207 0 1 HIAF biogenic CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]1SC(=O)c1ccccc1 27411790 NPKUUMKZGFOQPU-BZSNNMDCSA-N 403.544 4.061 0 1 HIAF N[C@H]1CN(c2cc(-c3ccc(Cl)cc3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F 28823837 ZCVKZRJHNSGYDR-KDOFPFPSSA-N 404.823 4.145 0 1 HIAF CCCC(=O)O[C@]1(C)CC[C@H](O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@@H]1[C@@H](C(C)C)CC=C(C)[C@H]21 66251054 AOODOWQDWVZWQC-QGLKYHSXSA-N 408.579 4.006 0 1 HIAF C[C@]1([C@@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O 72177818 NULRLJVQRLNULH-WMLDXEAASA-N 400.258 4.273 0 1 HIAF CSCC[C@H](Nc1nc(-c2ccc(C)c(C)c2)cs1)C(=O)NC[C@H]1CCCO1 82192795 VWEFVUULPTXRLR-MSOLQXFVSA-N 419.616 4.256 0 1 HIAF COC(=O)c1cc2[nH]c(COc3ccccc3C3SCCS3)nc2cc1OC 587041256 MEXRLJFBAVHSDK-UHFFFAOYSA-N 416.524 4.416 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587048519 HZOHZHMKVTXGMQ-QWRGUYRKSA-N 410.326 4.391 0 1 HIAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1F 587239686 NGOVCPIVLZFIBD-LPCJOIQWSA-N 419.497 4.266 0 1 HIAF CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436813 BFFGXVJLCDDQQJ-MYYSRTQBSA-N 409.482 4.124 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCN4CCCC[C@H]4C)cc1)[C@@H](C2)C3=O 587439836 WUANSFAENRAQBF-RQYMNKHTSA-N 407.510 4.437 0 1 HIAF C=CN1CCCC[C@@H]([C@@]2(c3ccncc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587474599 IQTQKHXTTVRYBW-NLFFAJNJSA-N 420.509 4.373 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)CCC(=O)O)(c1ccccc1)CC2=O 587489848 PKAXTVFKGNTSRL-XMMPIXPASA-N 410.466 4.420 0 1 HIAF C[C@]1(c2ccc(OCC(=O)N3CCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516166 ZCMTWTXPKZUGRF-AREMUKBSSA-N 419.521 4.447 0 1 HIAF COc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O 587592260 JPZDJVVWTYXRIP-URXFXBBRSA-N 406.434 4.460 0 1 HIAF CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2c(C(=O)O)cccc12 587637218 FOVAHNGOCBKWMO-UHFFFAOYSA-N 411.216 4.475 0 1 HIAF COc1ccc2c(c1)nc([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)n2C 587755222 GXCYBGYVCPDAMA-MLCYQJTMSA-N 404.283 4.107 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCCc2ccccc2)N1 587756605 RIKXHWPUYXYVCH-LHSJRXKWSA-N 419.338 4.087 0 1 HIAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccccc4)nc3)c2)c1 653887133 OSWWHUFRYVMBLP-UHFFFAOYSA-N 424.460 4.074 0 1 HIAF Nn1c(SCCN2CCCCC2)nc2cc(-c3ccc(Cl)cc3)sc2c1=O 958061034 DDDVZKAFQONLTI-UHFFFAOYSA-N 420.991 4.070 0 1 HIAF COc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962894155 HZBLBNPVANEZEX-QQKQFIJSSA-N 419.452 4.201 0 1 HIAF COc1ccc([C@@]2(c3ccc(F)cc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963038742 ZUCOVCOUKFNLGM-PUAOIOHZSA-N 402.469 4.180 0 1 HIAF NCCOc1ccc([C@]2(c3ccccc3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963097404 FAPHWDIZRMJAOR-BKMJKUGQSA-N 402.513 4.476 0 1 HIAF COc1ccc(C(=O)N2CCC[C@@H](c3ccccc3-c3cnc(N(C)C)nc3)C2)cc1 1772569816 JUZCSPMBSQLDCI-LJQANCHMSA-N 416.525 4.238 0 1 HIAF C=CC(=O)Nc1cccc(C)c1Nc1ncc(OCc2cc(OC)cc(OC)c2)cn1 1772639660 WTDFQNOFJMJEME-UHFFFAOYSA-N 420.469 4.249 0 1 HIAF O=c1c2c(O)cccc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12 1857644805 QDWIATLNBNCWBL-UHFFFAOYSA-N 418.430 4.423 0 1 HIAF CC(C)COC(=O)N1CCCC[C@@H]1c1cc(C(=O)NCc2ccc(F)cc2)no1 61903301 XATOVZJIKAGGHZ-GOSISDBHSA-N 403.454 4.063 0 3 HIAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4211148 DRBVVVBGRVCFOR-FUDKSRODSA-N 420.896 4.282 0 1 HIAF COc1ccccc1CN1N=C(c2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C1=O 13474100 HVZVPGFXFPHGPA-RBUKOAKNSA-N 408.498 4.265 0 1 HIAF C[C@@H](C1CC1)n1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O 13487678 VYZKNVAXMQPLHY-AWEZNQCLSA-N 412.486 4.091 0 1 HIAF CCCCOC(=O)n1c2cc(Cl)ccc2c2oc(C(=O)N3CCOCC3)cc21 26381871 QDSOMZCKMBOLOA-UHFFFAOYSA-N 404.850 4.298 0 1 HIAF COc1ccccc1N(C(=O)[C@H](C)OC)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C 26722829 DGHGOWMPBMIXER-JAXLGGSGSA-N 410.558 4.016 0 1 HIAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccccc1O)[C@@H](O)C3=O)C=CC(C)(C)O2 32296552 TTYWGXALMUZLQM-XUZZJYLKSA-N 422.477 4.468 0 1 HIAF biogenic,in-vitro CCSC(=S)SCC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 40410208 GUGUEEIYRWQGRW-UHFFFAOYSA-N 411.595 4.441 0 1 HIAF CCN(CCCCCCC(F)F)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 40465113 ZXJGYRBCFSVIEQ-IBGZPJMESA-N 420.566 4.409 0 1 HIAF CS(=O)(=O)c1ccc(-n2c(-c3ccccc3)nc3cc(Cl)ccc3c2=O)cc1 72108108 KCHSFUYVKLKMFT-UHFFFAOYSA-N 410.882 4.110 0 1 HIAF COc1cc2nc(N3CCSCC3)nc(NCCCc3ccccc3)c2cc1OC 82131189 WZTBTLUWLRQRMI-UHFFFAOYSA-N 424.570 4.245 0 1 HIAF CCN(C)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccco1 82142884 CODILGFWNPFHCW-UHFFFAOYSA-N 404.392 4.459 0 1 HIAF CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1 95573830 CIFOULXAKYVNMO-UHFFFAOYSA-N 419.572 4.274 0 1 HIAF COCC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4sccc34)CC2)CC1 100636751 MSZCXEBIZNRTND-KDURUIRLSA-N 415.603 4.220 0 1 HIAF CS(=O)(=O)c1ccc(C2=C(c3ccccc3)[C@H](c3ccccc3)NC(=S)N2)cc1 103262510 XXRLUOMBNZKFPI-NRFANRHFSA-N 420.559 4.177 0 1 HIAF Cc1cccnc1C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12 118401367 DTPNACUCWLJPMK-LJQANCHMSA-N 416.460 4.166 0 1 HIAF CC1=NC(=O)N[C@H](c2ccc(OCc3ccccc3)cc2)[C@H]1C(=O)OCC(F)(F)F 169729893 FMSSAOIOPAOJCC-ZWKOTPCHSA-N 420.387 4.213 0 1 HIAF NC(=O)c1c(-c2cnc3cc(OC4CCC4)ccc3c2)nn(C2CCCCC2)c1N 212415323 AJQKERUGIYLYDN-UHFFFAOYSA-N 405.502 4.216 0 1 HIAF in-vitro Cc1ccc(-c2csc3ncc(C(=O)NCCc4ccc5c(c4)OCO5)n23)cc1 299832408 GFGLSXAERZEIHU-UHFFFAOYSA-N 405.479 4.072 0 1 HIAF COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5cccs5)c(=O)n4n3)ccc2c1 299862453 JRFRHWWGWXVBAN-CQLSMYGBSA-N 419.531 4.074 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H](C)CN(C)C 299887583 ZDDUUZIKQUZSEB-VOQZNFBZSA-N 403.567 4.166 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)cc1 586954495 DUIDUOLSUXUNQI-UHFFFAOYSA-N 423.460 4.458 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)C(F)(F)F)n1 587094353 QBGDEYXNYRDIPF-ZDUSSCGKSA-N 411.327 4.219 0 1 HIAF Cc1nc2nc(O)nc(O)c2cc1Cc1c(C)nc2c(Cl)cccc2c1Cl 587368189 DSATXWMAEHCLBY-UHFFFAOYSA-N 401.253 4.499 0 1 HIAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCCCN1C(=O)OCc1ccccc1)[C@@H](C2)C3=O 587439885 XDECJEWBOGYFFY-YDHSSHFGSA-N 407.466 4.003 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](N=O)C(=O)Nc1ccc(C)cc1C)CC2=O 587468314 FBZIKPCBWIHELI-FYYLOGMGSA-N 410.470 4.459 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)c(F)c(O)c(F)c1F 587554984 JZVIQIRNDGIWFD-FKIZINRSSA-N 406.287 4.357 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(N2CCOCC2)c1 587558784 UMQNGIIKRGULHJ-URXFXBBRSA-N 421.424 4.071 0 1 HIAF C[C@H](C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)NC(=O)OC(C)(C)C 587572719 QIUREONMILYSCH-CGROQTEOSA-N 413.470 4.416 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccncn1)c1ccccc1 587584904 BOZORYBIQPEKKF-WIOPSUGQSA-N 410.429 4.282 0 1 HIAF CC(C)N1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587594554 MUTBIQRXGXKZCX-RDPSFJRHSA-N 401.418 4.004 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2-n2cncn2)N1 587693047 CFSMVULUDXXMAA-YPMLDQLKSA-N 421.701 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(Cl)cc3)nn2)N1 587702819 WSEDOCBWHNZKEK-YPMLDQLKSA-N 421.701 4.446 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)n(C)n2)N1 587713250 MSSHXHKOKGSTCG-GLEZIHRCSA-N 406.221 4.138 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(F)cc2)N1 587728955 GEXOVPPHINDMNB-WYRIXSBYSA-N 410.258 4.370 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccc(O)cc3oc2=O)N1 587843953 VCOWTVOQAICGEG-WVDJIFEKSA-N 418.262 4.198 0 1 HIAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2sc(=O)oc12 587857698 UGGMTOTWKIHEES-PWJLMRLQSA-N 424.291 4.388 0 1 HIAF CC(C)c1nn(C)c2c1[C@@]1(NCC2)c2ccccc2-c2nnc(-c3ccccc3)cc21 962915589 ANKWVFNNEDYMRC-AREMUKBSSA-N 407.521 4.419 0 1 HIAF COc1ccc2c(c1)O[C@H](c1ccccc1)C[C@@]21NCCc2c(C(=O)O)cccc21 963128068 ZOLJSXFHMNZSSR-ZCYQVOJMSA-N 401.462 4.307 0 1 HIAF CCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)NCCc2ccc(O)cc21 963353795 TVIGIQUOXLVAOO-OFVILXPXSA-N 413.558 4.412 0 1 HIAF COc1ccc(-c2cc(N(Cc3ccccn3)Cc3ccccn3)ncn2)c(F)c1 1857589626 TZRMSEJLPYCPEI-UHFFFAOYSA-N 401.445 4.288 0 1 HIAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3nc(C)no3)cc(-c3ncccc3F)c2)nc1 1857643268 GSYSADWZLROLTJ-CQSZACIVSA-N 417.444 4.441 0 1 HIAF CCCCn1cc(/C=C2\C[C@](CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc21 1857748372 GRAHICROOXJIEL-JYFCICGUSA-N 413.514 4.092 0 1 HIAF CN(C)CCCN=c1[nH]c(-c2[nH]c3ccccc3c2Br)nc2ccccc12 1857749039 VWHVZEWPXOCYAA-UHFFFAOYSA-N 424.346 4.326 0 1 HIAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356468632 KJMAIZGIZUCUKT-ZCNNSNEGSA-N 417.557 4.190 0 1 HIAF CN(C)c1ccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)cc1 100455904 HTAYIFNWVSNWBI-UHFFFAOYSA-N 412.493 4.249 0 3 HIAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl)N1CCOCC1 4208527 FOZLSYYYKUJSRE-MJGOQNOKSA-N 423.271 4.083 0 1 HIAF COc1ccc(OC)c(-c2cccn([C@H](CN3CCCC3)c3ccccc3)c2=O)c1 13436679 HFYIORXUHHAYHO-HSZRJFAPSA-N 404.510 4.218 0 1 HIAF CN1C(=O)c2c(nc(CC3CCCCC3)n2Cc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 13763691 PVDZNAVTENBGLF-UXHICEINSA-N 417.557 4.237 0 1 HIAF O[C@H](CCN1CCN([C@@H]2C=Cc3ccccc3N2)CC1)c1csc2ccccc12 27412855 OJOWITMTCTZCJP-ISKFKSNPSA-N 405.567 4.407 0 1 HIAF COc1ccc(Br)cc1CCC(=O)c1cc(OC)c(OC)c(OC)c1 29321269 UWSVAEHQXQIIDZ-UHFFFAOYSA-N 409.276 4.299 0 1 HIAF COc1cc2c(cc1OCc1ccccc1)N=C[C@@H]1CC(CCOC(C)=O)=CN1C2=O 29546571 UIBLCQLKKVUQOU-IBGZPJMESA-N 420.465 4.042 0 1 HIAF COc1nc(C(F)(F)F)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C 49048249 KCAYYSLTKCCBHK-SECBINFHSA-N 402.804 4.342 0 1 HIAF COc1ccc(CCN2CN=C(SCc3ccccc3Cl)NC2)cc1OC 58540870 QXASIIFCWBIRDI-UHFFFAOYSA-N 405.951 4.009 0 1 HIAF O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)[C@@H]1COc2ccccc2C1 70463026 DMYHHHDDOLJCHB-HNNXBMFYSA-N 404.857 4.264 0 1 HIAF COc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl 73198799 SEUZSQYTZXUHCP-UHFFFAOYSA-N 424.936 4.378 0 1 HIAF O=S(=O)(Nc1ccc2nc(-c3cccc(C(F)(F)F)c3)nn2c1)c1ccccc1 82081855 WXHAYNWQGNTHLF-UHFFFAOYSA-N 418.400 4.216 0 1 HIAF COc1ccc(NC[C@@H](O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)cc1 95591584 BQNTWAKCHQIDBG-GOSISDBHSA-N 411.498 4.215 0 1 HIAF Cc1c(OCCCCN2CCC(O)CC2)ccc2c(=O)cc(-c3ccccc3)oc12 96271254 UKTJXSFOAKCFCY-UHFFFAOYSA-N 407.510 4.384 0 1 HIAF C[C@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Oc4cccc5cccnc45)cc3)C(=O)[C@@H]2C1 100839559 FRIOBXUBAMOZEG-RYGJVYDSSA-N 414.461 4.380 0 1 HIAF c1cc(-c2nn(C3C[C@@H]4CC[C@@H](C3)N4)cc2-c2ccc3c(c2)Cc2c[nH]nc2-3)ccn1 101417477 IUXJVYUKPTXHGQ-PMACEKPBSA-N 408.509 4.362 0 1 HIAF CN1Cc2ccc(NC(=O)N[C@@H]3C[C@](C)(C(F)F)Oc4ccccc43)cc2NC1=O 143516720 XVUKZGYEXUJJOD-IIBYNOLFSA-N 416.428 4.333 0 1 HIAF Cc1cc(Cl)ccc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 205734251 OAHDIZLUMALIAR-UHFFFAOYSA-N 421.931 4.436 0 1 HIAF C[C@@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 261142617 NICLXZKJEORIJZ-LPMFXHHGSA-N 415.440 4.365 0 1 HIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 586880850 CIKLWFICQMDNGE-UHFFFAOYSA-N 406.667 4.302 0 1 HIAF Cn1ccnc1[C@@](O)(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(F)(F)F 587104613 VBTSLDRVJXVWKD-QFIPXVFZSA-N 423.394 4.172 0 1 HIAF CCCc1nc(-c2nc3c(Br)ncc(F)c3[nH]2)nn1-c1ccccc1F 587156842 SSGQHEKIDNSZRQ-UHFFFAOYSA-N 419.233 4.199 0 1 HIAF Cc1c(I)cnn1[C@H](C)c1nc2cccc(C(F)(F)F)c2[nH]1 587182112 LKFMANKEMZFHTP-MRVPVSSYSA-N 420.176 4.301 0 1 HIAF CC1=C(c2ccc3[nH]c(-c4ccc(C(=O)Nc5ccccc5)cc4)nc3c2)NNC(=O)C1 587247198 JWGNZAOABMOTES-UHFFFAOYSA-N 423.476 4.238 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]2[C@@H]3CN[C@H]2C(=O)O)c1 587364299 ZUEDPXNJRDOXPE-WSZRMNBISA-N 414.461 4.359 0 1 HIAF COc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc12 587402188 APDPNQFFXVMNSO-DEOSSOPVSA-N 405.450 4.465 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cn(-c4cccc(Cl)c4Cl)nn1)[C@@H](C2)C3=O 587420630 QNWBCMAVOVPXDX-WLRWDXFRSA-N 402.237 4.071 0 1 HIAF CCc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587437023 XHQXBZBRYVHUEE-HOYKHHGWSA-N 411.461 4.456 0 1 HIAF CN(C)CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587568393 CGDRDJZEPXETGD-URXFXBBRSA-N 405.450 4.036 0 1 HIAF COc1cc(OC)c2c(c1)OCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608437 KZPLOIPYAGGYLR-QPPBQGQZSA-N 420.417 4.049 0 1 HIAF CC(C)(C)c1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)[nH]n1 587658903 WBWQRGFTMJDHEI-UHFFFAOYSA-N 408.408 4.051 0 1 HIAF CCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1 587716226 CTMKJCUXYKEOEC-RMLUDKJBSA-N 406.221 4.447 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)NC(=O)OC(C)(C)C)N1 587756664 RVWDKGDRCKEAJT-BMIGLBTASA-N 401.320 4.467 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CCN(C(=O)OC(C)(C)C)C2)N1 587771265 FVMMYMPHCBCPOL-BLVKFPJESA-N 411.315 4.125 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)CCC(=O)N3C)N1 587772632 IIXXXAQTIWZVIJ-GTJPDFRWSA-N 417.322 4.295 0 1 HIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC 587807796 NNZMHZPLTMRPLB-PRWKNARSSA-N 424.310 4.412 0 1 HIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587961825 GLAOSCQBXRAFIX-QWHCGFSZSA-N 417.918 4.175 0 1 HIAF CN(C)CCCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 653765592 GSIHYSDTQQLLMX-UHFFFAOYSA-N 409.603 4.116 0 1 HIAF O=C1Nc2nc(NCc3ccccc3)nc(O)c2C[C@H]1c1c(Cl)cccc1Cl 653919228 BNXZZKOCGKUNCB-LBPRGKRZSA-N 415.280 4.380 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@](C)(c3c(-c4ccccc4)nn(C)c3Cl)c3cccc1c32 963031572 REKFWUAQCNFGOT-CMJOXMDJSA-N 406.917 4.057 0 1 HIAF O=C1c2ccccc2[C@]2(NCCc3ccc(O)cc32)[C@@H]1c1nc2ccc(Cl)cc2[nH]1 963354960 ZMNVJKPDSKOOQL-XUZZJYLKSA-N 415.880 4.291 0 1 HIAF CCCCCCn1c(Cn2cnc3c(N4CCCC4)ncnc32)nc2ccccc21 1857642550 GICBNOHUVPHSNX-UHFFFAOYSA-N 403.534 4.405 0 1 HIAF COC(=O)C1=C[C@H](OC(C)=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC(C)=CC(=O)O 2356466543 JYKSXPOWBJQKQL-SIFHUDGASA-N 406.519 4.291 0 1 HIAF Cc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Br)cc1 1378932 KTSRGLNPLHBBPJ-UHFFFAOYSA-N 406.261 4.312 0 3 HIAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2ccc(Br)cc2)C1=O 200050137 MFOLDMKBQPCBKU-IBGZPJMESA-N 415.331 4.069 0 3 HIAF CC(=O)C1=CC[C@H]2[C@](C)([C@@H](O)C[C@@H]3[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@@]23CO)[C@@H]1C=O 13335145 OGLFTTHUASEWEH-IGJPSDKNSA-N 416.602 4.329 0 1 HIAF biogenic COC(=O)/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@H](C)[C@@H](O)CC=C(C)C)OC1 27892976 SBBZPGWQQLGDRR-BSJSCYRPSA-N 410.551 4.110 0 1 HIAF Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(SCc4ccccn4)cc[nH]c3=O)nc12 28893839 DHGRTSCVOMSWIP-UHFFFAOYSA-N 414.494 4.100 0 1 HIAF NCCCC[C@@H]1NC(=O)c2ccc(Cl)cc2N(Cc2ccc3ccccc3c2)C1=O 29133250 IQTNNPZWBIUVSN-NRFANRHFSA-N 421.928 4.267 0 1 HIAF CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)N(c3ccccc3F)C2)cc1 29467682 DGMFCHKURLYHIZ-UHFFFAOYSA-N 407.466 4.187 0 1 HIAF CN(C)CCCn1c(CN2CCC[C@H]3CCc4cccnc4[C@H]32)nc2ccccc21 36486548 RIBOGSNJCBYELS-CPJSRVTESA-N 403.574 4.283 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C4=CC(=O)OC4)CC[C@]32O)C1 43756690 WJOGTCZNZPHODB-PTKFBTQISA-N 416.558 4.175 0 1 HIAF biogenic O=C([C@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1F 95559684 LZPIQIRKBGRLTO-NFBKMPQASA-N 402.425 4.343 0 1 HIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ncccn2)c1 167118277 FXOWSSZWOAIRHF-APWZRJJASA-N 403.482 4.271 0 1 HIAF COc1cccc(-c2cccc([C@@]3(C4CC4)N=C(N)N(C4CCCCC4)C3=O)c2)c1 218701068 XHQIVBKVZTWKFJ-RUZDIDTESA-N 403.526 4.457 0 1 HIAF COc1ccc(F)c(-c2cncc(C(=O)N[C@@H](CC(=O)O)c3ccccc3C)c2)c1 261187900 YAWDKEJMVQCUFT-NRFANRHFSA-N 408.429 4.151 0 1 HIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 586939190 YSPROFBHITWMAX-LLVKDONJSA-N 408.321 4.069 0 1 HIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)c(C)nc2[nH]1 587065075 LGDMUZYQASEBGI-UHFFFAOYSA-N 410.655 4.082 0 1 HIAF Cc1nc2cccc3c2c(c1CCOc1ccccc1C(N)=O)-c1ccccc1C3=O 587104009 LYQWLWDMZKKVMY-UHFFFAOYSA-N 408.457 4.475 0 1 HIAF CCOC(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 587199054 XYFUGNTXLUWDQO-UHFFFAOYSA-N 414.465 4.265 0 1 HIAF CCOC(=O)Cc1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587218273 HNYCHHFKGWYUBC-HSZRJFAPSA-N 413.477 4.188 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(O[C@H](C)C(=O)O)c(Cl)c1)O2 587375218 KNSHHNJNTWXNII-JDNHERCYSA-N 410.253 4.442 0 1 HIAF COC(=O)c1cccc(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2O)c1 587397660 AGMMUMIGIQRALL-NRFANRHFSA-N 403.434 4.443 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422264 SOWVHZYFQMLTPH-HTCWWEMQSA-N 403.400 4.432 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(CNC(=O)OC(C)(C)C)nc1C)[C@@H](C2)C3=O 587427634 FAYYMMRTYAYAQY-UUOWRZLLSA-N 424.497 4.086 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(F)cc(Br)cc21 587472450 QSRBXBSIBLKMJK-LJQANCHMSA-N 420.234 4.059 0 1 HIAF C[C@@]1(CC(=O)Nc2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574065 YQOJRVMDPBRYSN-REWPJTCUSA-N 407.397 4.280 0 1 HIAF CCc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(S)n1 587615864 ZLORREPMCGCZGQ-PGRDOPGGSA-N 408.479 4.219 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(=O)O)n(C)c3ccccc23)N1 587753523 JKSOMYSSCJAWLC-YPMLDQLKSA-N 417.278 4.402 0 1 HIAF COc1ccc(C)cc1C(=O)CCc1nc2cccc(I)c2[nH]1 587788183 ZAUBOVVAABIVRZ-UHFFFAOYSA-N 420.250 4.300 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2O[C@H](C)C(=O)O)N1 587798270 ZHUIQEJECWASQR-PJYBLOJUSA-N 408.267 4.064 0 1 HIAF COC(=O)c1ccc2c(c1)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587811786 XEFNZAZLVJRDLY-GIPWTMENSA-N 404.279 4.099 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSCC(=O)O)(c2ccccc2)N1 587847151 RYSXZHZQGFMISX-BLVKFPJESA-N 424.335 4.184 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(Cl)s2)N1 587848979 QLFGPQQDZPEBMS-MLXNANBUSA-N 404.688 4.166 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c(C)nc2ccccn12 587864366 YTPAPLJNGPLMME-UHFFFAOYSA-N 400.360 4.222 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1c[nH]c2ccccc12 587870000 SAQONLRWMGBUOM-UHFFFAOYSA-N 400.360 4.337 0 1 HIAF CC[C@@H](C)N1CCN(CCNC2CCN(c3cccc(-c4ccccc4)c3)CC2)CC1 618009331 BFXRNOLCPIDCFV-HSZRJFAPSA-N 420.645 4.328 0 1 HIAF COCCc1nc(C)c([C@@]2(C)c3ccsc3CCN2Cc2cccn2C)s1 962369656 DURGQBGXTYOYGR-OAQYLSRUSA-N 401.601 4.362 0 1 HIAF C[C@]1(c2ccc(F)cc2F)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182855 NTPCKNHDYITCGI-CXAGYDPISA-N 405.750 4.499 0 1 HIAF COc1ccc(CC[C@@]2(C3CCCC3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963490468 KCJIQOGBWOLKQO-DHLKQENFSA-N 409.526 4.326 0 1 HIAF CO[C@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 1772619062 CTERVLHXMOVKJM-RDAGDLAXSA-N 420.590 4.152 0 1 HIAF COc1ccc(-c2ccc3ncnc(N[C@H]4CCN(C(=O)CC(C)(C)C)C4)c3c2)cn1 1857757923 JLANAAVKXQYKON-SFHVURJKSA-N 419.529 4.149 0 1 HIAF O[C@@](Cn1cncn1)(Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1F 1857771495 JEMFUKCYMBGBKG-QHCPKHFHSA-N 404.420 4.252 0 1 HIAF COC(=O)CCC=CCC[C@@H]1C(=O)C[C@H](O)[C@@H]1C=CC[C@@](C)(O)C=CC1=CCCC1 2356344141 ZZVPHCPLTZTOBC-PLRSXRBSSA-N 416.558 4.206 0 1 HIAF CC(=CC=C1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@@]3(C)[C@@H](O)O[C@@H](C[C@@]1(C)O)[C@@H]23 2356462740 CHBIIBKSFYKBAE-JQQKJWEXSA-N 416.558 4.401 0 1 HIAF CC(C)c1ccc([C@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 1816236 YELGSQQDYSUPJV-PKTZIBPZSA-N 412.489 4.357 0 1 HIAF CN(C)CCn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc21 3815095 FIBRZYOROMWVIM-UHFFFAOYSA-N 411.307 4.047 0 1 HIAF CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1)c1ccccc1 4036508 XGQMKJRYIUKUDL-ZCYQVOJMSA-N 413.521 4.421 0 1 HIAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCc1cccs1 5415482 VOUABYGCUDMSHK-IRXDYDNUSA-N 415.559 4.343 0 1 HIAF biogenic C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820957 MQGZSNQSNBZIKA-FKELYYRSSA-N 402.531 4.073 0 1 HIAF O=C(Nc1cccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1)c1cccs1 45322509 ZVNDEDFZCCEIOU-UHFFFAOYSA-N 423.513 4.098 0 1 HIAF COc1ccc(Nc2nccc(NCCNC(=O)Nc3cc(C)ccc3C)n2)cc1 45337051 ASVFUSBFLIRNDE-UHFFFAOYSA-N 406.490 4.079 0 1 HIAF O=C(O)c1cn(Cc2ccccc2F)c2ccc(Cc3ccccc3F)c(O)c2c1=O 72113139 XSEXLQXAFUZAHR-UHFFFAOYSA-N 421.399 4.323 0 1 HIAF CCN(CC)CCC[C@@H](C)Nc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82161852 OJJXUOUGDGLMNT-MRXNPFEDSA-N 402.539 4.092 0 1 HIAF CC(C)c1nc2c(NCCc3ccccc3F)ncnc2n1CCN1CCCCC1 82180950 HPEBDQRUQJOLIK-UHFFFAOYSA-N 410.541 4.229 0 1 HIAF COC(=O)C[C@@H]1c2ccccc2C=C(/C=C\c2ccc3c(c2)OCO3)N1C(=O)OC 102811048 BADWNVHEGXMHGT-GXVATQTDSA-N 407.422 4.156 0 1 HIAF C1=C2CCN3Cc4cc5c(cc4[C@H]([C@H](OCC4CCC4)[C@H]1OCC1CCC1)[C@@H]23)OCO5 103268979 YGPMREHPWCRWEJ-QEGGNFSNSA-N 423.553 4.397 0 1 HIAF CC(C)[C@H](CCc1ccc2c(c1)OCCCO2)NC(=O)[C@@H](C)CNCc1ccccc1 114097556 YDYGYVQRRINDBI-REWPJTCUSA-N 424.585 4.347 0 1 HIAF COc1ccc(C(=O)N2CCN3C(=O)c4ccccc4[C@]23c2ccc(Cl)cc2)cc1 115650620 LYGSUKXHAHMWBC-XMMPIXPASA-N 418.880 4.162 0 1 HIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cccc(OC(F)(F)F)c1 117586766 VOIATBCPGWQZGA-UHFFFAOYSA-N 409.408 4.096 0 1 HIAF O=S(=O)(c1ccccc1)[C@@H]1C[C@@H]2O[C@@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 169364363 ONZSWOKBHMLNCW-IMSXRSKXSA-N 420.486 4.022 0 1 HIAF COC(C)(C)CNc1nccc2cnc(Nc3ccc(F)cc3OC(F)F)nc12 224086616 XVMCFRTZSZRUTA-UHFFFAOYSA-N 407.396 4.346 0 1 HIAF CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCC[C@H](C(F)(F)F)C3)[C@@H]2CC1 299815098 ATIUOFKXXHOPLM-DWGVPJFMSA-N 401.469 4.096 0 1 HIAF O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1nnc2ccccc21 299824961 FDUNIALFTNBMDG-UHFFFAOYSA-N 413.481 4.010 0 1 HIAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 586921173 DSGILNTYISTRBF-UHFFFAOYSA-N 404.491 4.178 0 1 HIAF NC(=O)c1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587017998 SRQUSLFRHZPNNG-UHFFFAOYSA-N 419.329 4.200 0 1 HIAF CN(C)CCOc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587168182 URONDJJIVSQBKE-FQEVSTJZSA-N 411.481 4.011 0 1 HIAF C[C@]1(c2cccc(OCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345773 GPFILCKGNRQCHV-LADGPHEKSA-N 422.408 4.269 0 1 HIAF C[C@]1(c2ccc3c(c2)CNCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347075 LALIKGYOTRIWCZ-UKILVPOCSA-N 403.453 4.451 0 1 HIAF C[C@]1([C@@H]2Cc3ccccc3C(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361226 YEJQGKAVJKAQCD-SGIRGMQISA-N 418.420 4.431 0 1 HIAF COC1CCN(C(=O)Nc2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)CC1 587395516 NNBGWSANQRAJHI-DEOSSOPVSA-N 423.513 4.101 0 1 HIAF COP(=O)(C[C@@]1(CCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)OC 587410181 VWKSUAOQQANIBL-OAQYLSRUSA-N 403.415 4.400 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cc(C)c(C(=O)O)o4)cc1)[C@@H](C2)C3=O 587451935 CCOSQNXYGWFGMD-MBSDFSHPSA-N 420.417 4.363 0 1 HIAF CC[C@]1(c2cc(C(=O)O)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553455 BKHRTMQKWSNTHQ-AUSIDOKSSA-N 408.381 4.497 0 1 HIAF CC[C@@]1(c2cc(C(=O)O)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553458 BKHRTMQKWSNTHQ-CVDCTZTESA-N 408.381 4.497 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCN(C)C)cc2)N1 587739138 FZYYIOZLOAXSJN-XCLFUZPHSA-N 407.327 4.152 0 1 HIAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COC(C)=O 587807801 NOCBKIPIISCKAB-YBTHPKLGSA-N 422.294 4.284 0 1 HIAF COc1ccc(-c2ccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c(O)c2)cc1OC 587927012 MOSDSZDOKTWJAK-UHFFFAOYSA-N 402.410 4.202 0 1 HIAF Cc1c(F)ccc2c1[C@H](c1c(Br)ccnc1Br)NCC2 962086999 CNLHOXDNKLXWJK-CQSZACIVSA-N 400.089 4.289 0 1 HIAF C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2CC[C@@H](c3ccc(O)cc3)C(F)(F)C2)C1=O 1772603826 VORAXNUWZGHPKU-ONGXBYRLSA-N 418.459 4.318 0 1 HIAF CN1Cc2c(-c3ccc(S(C)(=O)=O)cc3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772647759 LWNPTVWSJDFFBJ-UHFFFAOYSA-N 407.470 4.389 0 1 HIAF O=C(CCN1CCN(Cc2ccc(F)cc2)CC1)Nc1nc(-c2ccccc2)cs1 1857547080 HKRGPRSLPFZAFL-UHFFFAOYSA-N 424.545 4.096 0 1 HIAF COc1cc(NC(=O)c2ccc(-c3ccnn3C)c3ccoc23)cc(OC)c1OC 61903682 HKDWHGWRBDEFFD-UHFFFAOYSA-N 407.426 4.111 0 3 HIAF CO[C@H]1/C(=C\c2ccccc2I)c2ccccc2N1C(C)=O 1616584 KGZQQBDHAFJPST-RXBGNRNISA-N 405.235 4.171 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N(C)Cc3ccccc3)c(C)c2c1 2459838 UXRWQIHXGWZWGZ-UHFFFAOYSA-N 414.527 4.044 0 1 HIAF O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 2480280 YVINMEGORZRAKB-UHFFFAOYSA-N 420.440 4.040 0 1 HIAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4050115 NSHPGHUVZPZKIL-FVEXOFTDSA-N 414.505 4.351 0 1 HIAF CC[C@H](C)C(=O)O[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 5924532 PCZOHLXUXFIOCF-XVXRGGAYSA-N 404.547 4.196 0 1 HIAF COc1ccc(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccc(C)o3)n2)cc1 29127589 IDPYHDVIUQUXRL-UHFFFAOYSA-N 406.467 4.358 0 1 HIAF Cc1ccc(C2=C[C@H](c3ccc(Br)cc3)N(C(=O)CCC(=O)O)N2)cc1 33706991 FLQWXZCJRYEHOZ-GOSISDBHSA-N 415.287 4.051 0 1 HIAF O=C1N(CCN2CCC[C@@H](OCc3ccccc3)C2)CCN1c1cccc(Cl)c1 43009461 GESNZTWIXMSIMZ-JOCHJYFZSA-N 413.949 4.263 0 1 HIAF CCN(CC)CCNC(=O)/C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)OC 45192452 ZNWYLLXKMFSNME-XWTWHVSOSA-N 410.345 4.476 0 1 HIAF Cc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccsc4s3)CC2)nc1 64548641 FSBIKRUOLRGEQW-UHFFFAOYSA-N 403.548 4.400 0 1 HIAF O=C1CCC(c2ccc(Cl)cc2)=NN1c1nnc(S)n1-c1ccc(Cl)cc1 66073863 NFWYDXVBBNDBQP-UHFFFAOYSA-N 418.309 4.394 0 1 HIAF Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@H]2CCN(C3CCCC3)C2)cc1 72123369 VTYNAGSOHIRPRR-QFIPXVFZSA-N 402.542 4.423 0 1 HIAF O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 73298138 LDFKVHKQFYSLOH-NLZGTENKSA-N 423.472 4.189 0 1 HIAF CCOc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OCC)c(OCC)c2)ccc1O 95583799 SFUXRKFSLKHONT-RBUKOAKNSA-N 414.498 4.163 0 1 HIAF COc1ccccc1OCCNC[C@@H](O)CCOc1ccc2[nH]c3ccccc3c2c1 96939486 MXWZVXHUBREERW-SFHVURJKSA-N 420.509 4.128 0 1 HIAF O=C(Nc1ccnc(Br)c1)c1cn(-c2ccccc2)nc1C(F)(F)F 103181688 OXPZHWKRFAHAJO-UHFFFAOYSA-N 411.181 4.301 0 1 HIAF Cc1cccc(C(=O)N[C@]2(C(=O)O)Cc3ccc(C(F)(F)F)cc3C2)c1OC(C)C 146719561 PMGMYYQMBLQSCM-OAQYLSRUSA-N 421.415 4.153 0 1 HIAF Cc1cnn(CN2CCOc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3C2=O)c1 206204417 YYWFFPNURUFEFT-UHFFFAOYSA-N 417.387 4.249 0 1 HIAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN[C@@H]3CCCC[C@H]32)cc1 253670909 KGERRRVIMYMABD-SDHSZQHLSA-N 405.586 4.474 0 1 HIAF O[C@H]1C[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)c2ccccc21 586905203 ZJEYECASIWCFBU-KOLCDFICSA-N 409.081 4.052 0 1 HIAF Clc1ccc(-c2nnc(SCc3nc4ncc[nH]c-4n3)n2Cc2ccco2)cc1 586965394 KGFFFDFPKHJZIT-UHFFFAOYSA-N 423.889 4.150 0 1 HIAF O=C(Nc1ccc(Cc2nc3ccc(O)cc3[nH]2)cc1)c1ccc(Br)o1 587008880 ZKTMVKXHIBDXCN-UHFFFAOYSA-N 412.243 4.467 0 1 HIAF COc1cc(/C=C/c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(Cl)c1OCC(C)C 587046811 MOLZIFFKLUOJGC-SNAWJCMRSA-N 408.289 4.238 0 1 HIAF CCS(=O)(=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587075714 JEKXKMHGCDTZST-IBGZPJMESA-N 403.935 4.347 0 1 HIAF COC1CC(C)(C)N(CCOC(=O)Cc2c(C)nc3cccc4c3c2CC4)C(C)(C)C1 587212201 LUNSEYNARFCXAX-UHFFFAOYSA-N 424.585 4.396 0 1 HIAF O=C(c1ccc(C(F)(F)F)cc1F)c1c(CO)oc2cc(Br)cnc12 587276656 PSMCPUNBQISNPV-UHFFFAOYSA-N 418.140 4.472 0 1 HIAF C[C@]1(c2ccccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349080 PGRVZOVRDGNSDF-LADGPHEKSA-N 422.408 4.269 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2CCN(CC2)[C@@H]1Cc1ccccc1OC 587480012 BRBAGOLUULARBB-AOYPEHQESA-N 421.537 4.394 0 1 HIAF Nc1ccc2c(c1)C(=O)c1ccc(N)cc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510368 KMKITQYTMVYRQL-SANMLTNESA-N 410.473 4.183 0 1 HIAF COC(=O)c1[nH]c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587590282 SDRRBWHVHRYVCG-MBSDFSHPSA-N 407.422 4.001 0 1 HIAF COc1ccc2c(c1)OCCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613375 XPGQHRAUILCTRT-ZJSXRUAMSA-N 404.418 4.431 0 1 HIAF C[C@]1(c2ncc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614191 ROKMFPRFADRCIF-KDOFPFPSSA-N 418.268 4.488 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncnc2ccc(F)cc12 587655475 IYROTUKSTJXQHR-UHFFFAOYSA-N 404.351 4.413 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(F)CN(C(=O)OC(C)(C)C)C2)N1 587723375 XHZODHOBXKWOHP-ZUZCIYMTSA-N 417.294 4.123 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587741461 HHEAGONWXRMMSE-PRWKNARSSA-N 421.310 4.353 0 1 HIAF CCC[C@@H](CC1(c2nc3c(O)ncnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782093 PPNOYDYKUVYVEM-KRWDZBQOSA-N 408.502 4.420 0 1 HIAF COC(=O)[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 587801434 GHOLDHRDCAUKBV-YBTHPKLGSA-N 417.278 4.020 0 1 HIAF Cn1cnnc1Sc1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)o1 962723088 ZXTQFTPENSRUAX-BFUOFWGJSA-N 416.547 4.151 0 1 HIAF O=C([C@H]1Cc2ccccc2[C@@H](C2CCN(Cc3ccccc3)CC2)N1)C(F)(F)F 962764308 LLDRFRACDZZWJA-NHCUHLMSSA-N 402.460 4.286 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(CO)N(c3ccc(F)cc3)C=C2OC)N1 962951640 OLCCSRLGUFABCP-SSOJOUAXSA-N 419.500 4.311 0 1 HIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1c(I)ccnc1F 963094476 MGRNJLNTRLHBRU-LRDDRELGSA-N 412.221 4.074 0 1 HIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1cccc(CC(N)=O)c1N 963245108 ZIPMVYBOKBCJDJ-PPHZAIPVSA-N 413.565 4.245 0 1 HIAF COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 1857583942 KJSZFXLLGTVRIA-GJZUVCINSA-N 419.521 4.237 0 1 HIAF Cc1ccc(N2C(=O)CS[C@@H]2c2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)cc1 1857613314 IUZRUBNUYDSUAT-NPMXOYFQSA-N 407.539 4.107 0 1 HIAF FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(C[C@@H]3CCc4ccccc43)cn2)c1 1857771144 JAGKRJVLUACVQE-HNNXBMFYSA-N 410.403 4.479 0 1 HIAF NS(=O)(=O)c1ccc2c(c1)[C@H]1CCC[C@H]1[C@@H](c1ccc(Br)cc1)N2 1857772223 WBHCMCFSOXOPBD-HDMKZQKVSA-N 407.333 4.147 0 1 HIAF CC(C)Oc1ccc(CCNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)cc1 12576719 SPZJKPFBFRGJGV-FQEVSTJZSA-N 400.563 4.094 0 3 HIAF COc1ccc([C@@H]2[C@@H](C(=O)N3CCCC[C@H]3C)CC(=O)N2c2ccc(OC)cc2)cc1 201457920 XUBBUXFQZRDFFX-OUPRXKBMSA-N 422.525 4.199 0 3 HIAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCC(C)C)c(OC)c1OC 776271 WPVNCGPBRQRNNA-UHFFFAOYSA-N 404.507 4.441 0 1 HIAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccs2)[C@@H]1c1c[nH]c2ccccc12 2469364 SVBYHUAIIYTCBM-VXKWHMMOSA-N 415.518 4.456 0 1 HIAF CC(=O)NCCOC(=O)[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 3830906 HCVIESKVXGEJID-KRWDZBQOSA-N 415.795 4.158 0 1 HIAF Nc1nc(N)c(F)c(-c2nc(-c3ccncc3)c(-c3cc4ccccc4o3)[nH]2)c1F 12365502 XIFPQQYHCBDVIB-UHFFFAOYSA-N 404.380 4.390 0 1 HIAF Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2ccc(Cl)cc2)c2ncn(C)c2n1 13488572 KVHQBLSEBMPCJT-UHFFFAOYSA-N 410.840 4.348 0 1 HIAF CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CC(=O)OC)c2)cc1O 26400555 XIILPCKCSLFILZ-UHFFFAOYSA-N 413.470 4.236 0 1 HIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2CN)c1C 27564001 HNAMCNKGKKJOKY-UHFFFAOYSA-N 413.543 4.416 0 1 HIAF C[C@H](NC(=O)[C@@H](O)[C@H](N)CSCC1CCCCC1)c1cccc2ccccc12 27984004 WLYBMNMEJOMQSQ-USCONSEESA-N 400.588 4.019 0 1 HIAF O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cc(C(=O)O)ccn1 28954694 YEWWNCGLLYVLPS-UHFFFAOYSA-N 406.482 4.265 0 1 HIAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc(NCC2CCNCC2)c1Cl 38470750 ULQNKQVYRQIHGV-UHFFFAOYSA-N 416.997 4.093 0 1 HIAF NC(=O)c1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 40403492 SPFMZJNXKHQFFU-UHFFFAOYSA-N 424.504 4.349 0 1 HIAF CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CCOCC4)cc3)on2)c1 66074515 HZPGURGJRBWQDG-UHFFFAOYSA-N 419.525 4.415 0 1 HIAF C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@@H]2C)cc1 95555133 CAAWJPKOKADKRS-ZEQRLZLVSA-N 414.682 4.395 0 1 HIAF CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4cccnc4s3)ccc12 95596355 MCQDKCRFPCIJBM-HOTGVXAUSA-N 420.494 4.035 0 1 HIAF C[C@H](C[C@@H]1CC[C@@H]([C@H](C)Cn2cc(-c3ccccn3)nn2)O1)OC(=O)c1ccccc1 141301821 JMQXMAWLGSWGBC-KSPYYYPUSA-N 420.513 4.159 0 1 HIAF CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(NC(=O)Cc3ccc(F)cc3)cc21 169309930 JWRLEFGWNKDQRU-SSEXGKCCSA-N 422.481 4.154 0 1 HIAF Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(Cl)c2cccnc12 205623477 CHZVMDUFCDDMCD-UHFFFAOYSA-N 401.797 4.290 0 1 HIAF CC(C)(C)c1cc(F)c2c(=O)n(Cc3ccc(-c4cc[nH]c(=O)c4)cc3)ncc2c1 209440061 HAKHTBNVQLRBOE-UHFFFAOYSA-N 403.457 4.237 0 1 HIAF COc1ccc2c(c1)N(C)[C@@H]1c3cc4cc(Br)ccc4n3CCN1C2=O 221966856 QGHLZVMKBYWEND-IBGZPJMESA-N 412.287 4.017 0 1 HIAF O[C@@H]1CN(Cc2cccs2)[C@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(C2CC2)nn1 299812921 POGGJSCXAAFIMY-PCCBWWKXSA-N 414.962 4.420 0 1 HIAF CC(C)(C)c1ccc(S(=O)(=O)n2cc(-c3ccnc(N)n3)c3ccccc32)cc1 299852876 YSWUKUQUYPMJKZ-UHFFFAOYSA-N 406.511 4.215 0 1 HIAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12C(=O)Nc1ccc(Cl)cc12 473152675 VCWPRICNBCKDNH-YOSAUDMPSA-N 419.864 4.375 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1 586892985 YPEPDSCYXAJHFB-GTNSWQLSSA-N 403.276 4.258 0 1 HIAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072120 VTXOKDUKCKNBES-UHFFFAOYSA-N 413.886 4.110 0 1 HIAF Clc1ccc(-c2nnc(CCc3nc4cncc(Br)c4[nH]3)o2)cc1 587075976 GYTBJFXIRWLZDK-UHFFFAOYSA-N 404.655 4.209 0 1 HIAF O=C(O)C1=C[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)N(c2ccccc2)N1 587105747 HAVCRVYFFQLRMP-QHCPKHFHSA-N 419.440 4.481 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 587230897 JQTDGIGEWBQKMG-OLZOCXBDSA-N 401.454 4.211 0 1 HIAF CCCCOc1cc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2cc1Br 587249791 NHZOQQNEFZFZMP-UHFFFAOYSA-N 418.291 4.381 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccncn2)[C@H]1c1ccc(F)cc1 587345952 KPXBWGATCQTWNB-LADGPHEKSA-N 413.408 4.019 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCOc4c(Br)cc(C)cc41)[C@@H](C2)C3=O 587416925 GHTFTARNSYXSGG-RNODOKPDSA-N 401.256 4.192 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O 587442502 YIABZMGGEGPXBS-RXFWQSSRSA-N 411.457 4.271 0 1 HIAF COc1cc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587592759 KFPXFWVRQPNQEG-QPPBQGQZSA-N 422.433 4.295 0 1 HIAF C[C@@]1(c2ccc(N3CCOCC3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614146 RHTLTXIWZOKPLF-OFNKIYASSA-N 423.490 4.167 0 1 HIAF O=C(COc1cccc(F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655548 MHJZWEYJTOFVTK-UHFFFAOYSA-N 410.351 4.200 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccc(F)cc3c2=O)N1 587734363 QXULHHNFPHTNQE-DYBLOJMWSA-N 406.226 4.457 0 1 HIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC 587808091 OSYUMNTXBQBECD-PRWKNARSSA-N 424.310 4.412 0 1 HIAF Cc1cccc2c1OC(C(=O)O)=C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587845169 ZEBACJOMVRCZRN-GIPWTMENSA-N 418.262 4.035 0 1 HIAF c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1ncc(-c2cscn2)[nH]1)C3 653726447 LRBVXOXANRZCJA-YLJYHZDGSA-N 405.527 4.369 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(-n4ccc(C(F)(F)F)n4)cc3)c3cccc1c32 963015738 AHFAMYTVJBHNRG-SPLOXXLWSA-N 412.415 4.034 0 1 HIAF CC(=O)N1Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]2(Cc2ccccc2)C1=O 1857602106 VMMFRCOPGNDWTP-OZXSUGGESA-N 410.473 4.075 0 1 HIAF CN(C)CCCOc1ccc(-c2cn3c(-c4ccc5ncccc5c4)cnc3cn2)cn1 1857612315 NJILHSJCGQQAOW-UHFFFAOYSA-N 424.508 4.337 0 1 HIAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@@H]1O 2356345445 RARJQAOGTFMPFZ-KEZQHZCBSA-N 402.572 4.406 0 1 HIAF CCc1nc2c(OCc3ccccc3C(=O)OC)cccn2c1N(C)C(=O)CC(C)C 61908743 QAFWNXYVUKPRNU-UHFFFAOYSA-N 423.513 4.271 0 3 HIAF CCC[C@]12Cc3c(OC)ccc(OC)c3C[C@@H](Cc3c(OC)ccc(OC)c31)C2=O 1616123 BQKDLEQJNGWSHS-MQNRADLISA-N 410.510 4.299 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCCN1CCCC1 4213035 KCRBTPANROGQTI-GOTSBHOMSA-N 415.578 4.311 0 1 HIAF COc1ccccc1N(C(=O)[C@@H](C)OC)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C 26722834 DGHGOWMPBMIXER-TUNNFDKTSA-N 410.558 4.016 0 1 HIAF CO[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28563119 XCTRZHKSHWYFCX-RBBKRZOGSA-N 407.466 4.401 0 1 HIAF CC(=O)N1[C@@H]2C=C(CN3CCC(Nc4ccc5ccccc5n4)CC3)C[C@H]1CCC2 29129587 DQQJTBKQLYIUIZ-XZOQPEGZSA-N 404.558 4.211 0 1 HIAF CCCC[C@H](CC)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(Cl)c(F)c2)C(=O)O1 40406854 ZNLUECRWFKKEBI-WYLWBNMYSA-N 412.885 4.300 0 1 HIAF CC(C)(C)C(=O)CN(CCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccncc1 43073955 RWXCYNNNYYAVHG-UHFFFAOYSA-N 424.932 4.453 0 1 HIAF CC[C@@H](Cc1ccc(F)c(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1)C(=O)O 58580937 NIVXPYZQZUTEBY-AWEZNQCLSA-N 413.367 4.308 0 1 HIAF Fc1ccc(CCNc2ncnc3c2nc(-c2ccoc2)n3C[C@@H]2CCCO2)cc1 82187132 ZTDZYOZSXPCJGR-SFHVURJKSA-N 407.449 4.059 0 1 HIAF COc1ccc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]3C2)nc1 116825111 HMKUPSOTYRPXCT-IRXDYDNUSA-N 405.523 4.027 0 1 HIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc(OCC(F)F)cc1 166334024 IWXLLWPXBZDXRN-WMLDXEAASA-N 405.441 4.457 0 1 HIAF Clc1ncc(Br)c2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587038605 AWWHGVRJWGFSJP-RYUDHWBXSA-N 409.740 4.320 0 1 HIAF COc1cncc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 587179455 VXSXGTKOFIYVGQ-UHFFFAOYSA-N 419.144 4.257 0 1 HIAF COC(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328627 BDPUPEBOUOIIFC-LADGPHEKSA-N 424.399 4.488 0 1 HIAF COc1ccc(OC)c(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587510179 GAKWGWJYVLSSGT-DEOSSOPVSA-N 409.482 4.335 0 1 HIAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2oc(N)nc2c1 587579064 YCYWRXVYTARGPN-FDDCHVKYSA-N 402.406 4.301 0 1 HIAF C[C@@H]1CN(Cc2ccccn2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581343 HBYNTKLYQFBDIM-MCCOCYNGSA-N 416.477 4.030 0 1 HIAF C[C@]1(CC(=O)OCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593720 MUIYJEMSSOVPCE-ZJSXRUAMSA-N 404.418 4.246 0 1 HIAF CC(C)(C)OC(=O)N1CC2(CC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 587597455 VIYAHJGNNAEUBY-KOSHJBKYSA-N 423.465 4.124 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccncn2)s1 587614756 UCYYKLVFWHVTIG-FXAWDEMLSA-N 403.419 4.009 0 1 HIAF COC(=O)C[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587729513 HGDUVXFERZSIGQ-JEOXALJRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c2ccc(Cl)c1F 587738302 MNSSATFBRFHOEY-IWEMQMMOSA-N 413.649 4.111 0 1 HIAF COc1ccccc1N1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587765798 DLLWQHYIHRBFFC-RBZFPXEDSA-N 405.311 4.237 0 1 HIAF CCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CO 587798531 YNSUTUBQGVXPIU-FKIZINRSSA-N 408.311 4.493 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc3c(c2)CCCC3)N1 587832673 ZUETZOTUNMBWPL-GTJPDFRWSA-N 418.306 4.329 0 1 HIAF Cc1csc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)n1 587852088 KEYHXPUEKCPEBN-LLVKDONJSA-N 410.356 4.383 0 1 HIAF CCOC(=O)CCCC[C@@]1(c2ccc(F)cc2)c2ccsc2CCN1C(N)=O 962715309 RJKWYHWKRUSHDU-OAQYLSRUSA-N 404.507 4.191 0 1 HIAF CC(C)(C)N1CCC2(CC1)N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963188437 MSBOUYJIPOWXNI-HNNXBMFYSA-N 404.860 4.047 0 1 HIAF C[C@](O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc(C(F)(F)F)cc1 1857578029 XPLPOKKAVZEGRG-INIZCTEOSA-N 407.310 4.493 0 1 HIAF CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(OCC)c3ncccc23)c1 2455827 JJDWVTLXKVQVDW-UHFFFAOYSA-N 416.499 4.232 0 1 HIAF COc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccccc2)cc1OC 2724826 JNHYOUNKJCMZCN-QHCPKHFHSA-N 420.440 4.027 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccc(F)c(-c3c(O)ccc4c3OCO4)c2)cc1 35000892 NSYWWSFCQSTAPB-UHFFFAOYSA-N 401.415 4.036 0 1 HIAF CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OCC)c1N 49013884 BKXYGWGAVWDKTL-UHFFFAOYSA-N 410.518 4.284 0 1 HIAF C[C@@H]1CN(CCc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 72135078 AZYFXFAFEPHTTK-BEFAXECRSA-N 415.331 4.115 0 1 HIAF CC(C)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CC[C@@H]1CCCN1C 82179687 QHRSSGFNWOGJIZ-IBGZPJMESA-N 410.541 4.228 0 1 HIAF C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1c(F)cccc1-c1ncccn1 96175602 OYFDBWSFFPTFSO-HZPDHXFCSA-N 424.451 4.137 0 1 HIAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccc(F)cc1CO 143433227 HAHBFCDZJMZPDT-UHFFFAOYSA-N 422.334 4.070 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3CC)nn2-c2ccccc2)c1 169707004 UTRJSZWCCXCAFG-RTWAWAEBSA-N 416.525 4.203 0 1 HIAF CCOC(=O)C1=C[C@H](c2ccc(Br)cc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169723787 HOFOTNXVWIWZLG-KDOFPFPSSA-N 404.304 4.440 0 1 HIAF Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)CC1=O 205764276 DVXKTLYPEYDJAB-HNNXBMFYSA-N 401.388 4.186 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(C3CCCCC3)no2)n1 221131270 XNDMAXVDBHXLAZ-UKRRQHHQSA-N 400.483 4.062 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@H](C)N2C[C@@H](c3ccccc3)C[C@H]2C1 253704518 PKZKDNACFVSZIJ-OWLYRPNTSA-N 413.949 4.070 0 1 HIAF CCOC(=O)c1csc(Nc2ccc(Nc3nc(C(=O)OCC)cs3)cc2)n1 473089819 MEQPTYHFPPCYBK-UHFFFAOYSA-N 418.500 4.440 0 1 HIAF CCN(c1ccc(-c2csc(C(C)(C)C(=O)OC(C)(C)C)n2)cc1)S(C)(=O)=O 509075990 WIQGDKGPGGGMSM-UHFFFAOYSA-N 424.588 4.215 0 1 HIAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(I)cc3[nH]2)c1 587048860 BNYFUHUGDXDHPE-UHFFFAOYSA-N 411.630 4.446 0 1 HIAF C[C@@]1(c2cc3c(cc2N)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331530 DLJWIQUALMUPQI-GMAHTHKFSA-N 407.397 4.117 0 1 HIAF CC[C@]1([C@@H](C(=O)OC)C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351623 NBJVFEBYZHTPPG-TXTKFYIRSA-N 400.446 4.484 0 1 HIAF C[C@H](O)[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610657 DFFWKKCADSOZOD-DHFGEULSSA-N 402.855 4.345 0 1 HIAF O=C(O)c1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611314 SBVQBGNQSQBTOR-HYBUGGRVSA-N 402.402 4.284 0 1 HIAF O=C(c1ccc(Cl)cc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587654164 PBALJQAKUHZYGY-UHFFFAOYSA-N 412.779 4.389 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587719844 LUZDXYFMSQHEIQ-YHTXOTLWSA-N 416.306 4.409 0 1 HIAF C[C@@H](CC(=O)O)[C@]1(c2ccc(N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587743365 DNRLSHKWSHHSQO-XXRNEEKGSA-N 421.310 4.059 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(CCN)c3ccccc23)N1 587759414 SZFFULQNGOBNQH-ASSNKEHSSA-N 416.338 4.299 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(C2CCOCC2)N1 587774150 LSGFUMXKEBOWET-XCLFUZPHSA-N 405.311 4.188 0 1 HIAF COC(=O)c1ccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587805351 TVJYXPOOXDKJLN-GIGQVBGESA-N 417.278 4.480 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(OC)cc2)on1 587871104 AAVKDQBEEDMUEH-UHFFFAOYSA-N 407.401 4.440 0 1 HIAF COC(=O)c1cc([C@]2(c3ccccc3)c3cc(OC)ccc3CCN2C(C)C)c[nH]1 962093280 PKHCAOUWVLRRLR-RUZDIDTESA-N 404.510 4.368 0 1 HIAF COc1ccc2c(c1OC)[C@]1(CCCN(C(=O)OC(C)(C)C)[C@@H]1C)N(C)[C@H](C)C2 962645451 ZRYGHCHRXFOCTM-CKNGIIGNSA-N 404.551 4.195 0 1 HIAF CC(=O)N(c1ccc(F)cc1)c1nc([C@H]2NCCc3c2c(C(C)C)nn3C)cs1 962921384 NLIMIBLOHQKOSF-HXUWFJFHSA-N 413.522 4.059 0 1 HIAF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(C)c3cnoc3)nc(Cl)nc21 963913755 CCFPWHSHLHEOIH-OAQYLSRUSA-N 424.892 4.080 0 1 HIAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)nc([C@H](C)O)c12 1772628640 XKKJBQDEFWYRLF-BDAKNGLRSA-N 424.288 4.209 0 1 HIAF CC(C)c1n[nH]c(=Nc2ccc(-c3ccc(N4CCC(CC(=O)O)CC4)cc3)nc2)o1 1857573854 WKEOEHFGLXNEKY-UHFFFAOYSA-N 421.501 4.112 0 1 HIAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)Nc1cccc(O)c1 2356870163 XOAGZOZYQXXAAQ-SJORKVTESA-N 411.502 4.310 0 1 HIAF O=c1c2sccc2nc(SCc2ccccc2Cl)n1CCN1CCCC1 2925284 HRLLMXJZHBDGFW-UHFFFAOYSA-N 405.976 4.500 0 1 HIAF COc1ccc2nc3oc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)cc3cc2c1 6744768 HETYYCBHBDCDSV-UHFFFAOYSA-N 408.410 4.268 0 1 HIAF CC1(C)c2[nH]c3cc(Cl)c(Cl)cc3c2C[C@@]23CN4CCC[C@]4(C[C@@H]12)C(=O)N3 14585647 GZGGCZADGIBRHT-DQLDELGASA-N 404.341 4.032 0 1 HIAF biogenic CC1(C)OC[C@H](NC(=O)Nc2ccccc2Br)[C@H](c2ccccc2)O1 28381919 ZVELNGXIEZFZIB-IRXDYDNUSA-N 405.292 4.463 0 1 HIAF in-vitro CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@@H]1CC(CC(=O)O)(C3)C2 29126129 RKNILYVZCIUTKZ-MRCPVMOPSA-N 405.922 4.283 0 1 HIAF CCOC(=O)c1cn(-c2ccc(O)cc2C)c2cc(-c3ccncc3)ccc2c1=O 63298552 WNMXOXGXHRHBLO-UHFFFAOYSA-N 400.434 4.243 0 1 HIAF O=C1CSC(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(F)cc2)=N1 73296746 QJDZBJMJPZWLKU-INIZCTEOSA-N 418.291 4.369 0 1 HIAF C[C@H]([C@@H]1C[C@@H]1C(=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 96941737 SPBCVLSZAPVLJN-XMJANLOWSA-N 404.591 4.334 0 1 HIAF CC(C)[C@]1(O)CC[C@@H](N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1 101176313 FRTCCDLOIBDORK-SESVDKBCSA-N 413.480 4.391 0 1 HIAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4ccccc4[nH]3)c2)c2cncnc21 221755965 FCLAWUSGFQFBCE-UHFFFAOYSA-N 424.464 4.372 0 1 HIAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)c1 586922470 OGCXJRWGBJDWES-UHFFFAOYSA-N 413.724 4.363 0 1 HIAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 586936716 JTHKHVGTPFRKOW-LBPRGKRZSA-N 417.293 4.079 0 1 HIAF COc1cncc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587030778 ICONSJALFARQPM-QVASGMJFSA-N 401.517 4.093 0 1 HIAF Ic1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587043441 ZNKBYJQHGPRJQM-GJZGRUSLSA-N 421.307 4.114 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080794 PTLKZLUBBOSKFG-CQSZACIVSA-N 407.651 4.442 0 1 HIAF CCOC(=O)c1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1 587202249 CJPDPVCIWYKWJC-UHFFFAOYSA-N 408.458 4.257 0 1 HIAF O=C(c1ccccc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 587276239 KNARNMFKZBGVJB-UHFFFAOYSA-N 400.150 4.332 0 1 HIAF COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](N=O)C2 587331047 ACHWSUIXVFXELD-FIXSFTCYSA-N 419.408 4.485 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccc5c(c4)OCCO5)cs1)[C@@H](C2)C3=O 587453152 VCOGGPVSUJSMGY-QKKBWIMNSA-N 407.447 4.079 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC(C(=O)OC)CC3)cc1)CC2=O 587476024 SMRHHKHVFTVZOH-HSZRJFAPSA-N 423.509 4.441 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]13CCN(C(=O)OC(C)(C)C)C3)CC2=O 587476572 VPHCAUOJDNQSCC-GOTSBHOMSA-N 401.503 4.470 0 1 HIAF CCS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587608932 TZCGXNMFULLZMP-NZQKXSOJSA-N 424.474 4.063 0 1 HIAF CC1(C)Cc2sc(N)nc2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587620576 ZSUOUAKDFYQOEC-AOMKIAJQSA-N 408.479 4.260 0 1 HIAF CCc1nc(C)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)s1 587658267 NJAVLGJRHNGYKD-UHFFFAOYSA-N 411.433 4.358 0 1 HIAF CCn1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587708895 FSDSVWQGTCAVNZ-XXFAHNHDSA-N 420.248 4.453 0 1 HIAF CCO[C@H](C)c1ccc([C@]2(CN)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587751915 ZZZMEMOYAHFCDO-LKBUQDJMSA-N 421.354 4.422 0 1 HIAF CC(C)NC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587756506 QXLGYPOVQPVFIT-BUXKBTBVSA-N 405.311 4.350 0 1 HIAF COC(=O)[C@@H]1CC[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587810709 VRDMQHYLNMAFLD-RWCMSOCESA-N 418.306 4.416 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(=O)n(C(C)C)c(O)n1 587860383 USEBLFJSIWHBQU-UHFFFAOYSA-N 409.273 4.088 0 1 HIAF CO[C@H](C)COC1CCC(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 587952241 NIVTXVTYTHIDPD-KPPDAEKUSA-N 402.720 4.452 0 1 HIAF C[C@@]1(c2cccc(-n3cccc3)c2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962625814 CZBCURUDQHBVII-UTKZUKDTSA-N 416.399 4.238 0 1 HIAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cc(-c3ccncc3)cs2)N1 962635935 KXQFZMRPVAMERN-WMZOPIPTSA-N 420.412 4.397 0 1 HIAF Cc1ccc2c(c1)[C@@]1(CCS2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962676961 YNFWCZQYWCPEGL-DNQXCXABSA-N 404.535 4.381 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@H](c2cn3cc(Cl)cc(Cl)c3n2)N1)C(F)(F)F 962728378 DXPYMVCFGSIZCP-DZGCQCFKSA-N 414.214 4.376 0 1 HIAF C[C@@]1(c2cc(C=O)cs2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963185116 KKGRWWMQYMUKEE-BZNIZROVSA-N 403.809 4.095 0 1 HIAF Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(N3CCOCC3)nc2)c1 1772635299 FMHWCUPBWVWNQH-UHFFFAOYSA-N 415.419 4.446 0 1 HIAF Cc1cc(=NCCN(C)C)[nH]c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12 1857749465 IJOZBPDREPMYIP-UHFFFAOYSA-N 417.340 4.498 0 1 HIAF C[C@]1(O)CCN(Cc2cccs2)[C@@H](c2ccccc2)[C@H]1NC(=O)c1ccc(F)cc1 2356289810 ZYKGSWGLEHADDF-ZDXQCDESSA-N 424.541 4.384 0 1 HIAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356468631 KJMAIZGIZUCUKT-XUVXKRRUSA-N 417.557 4.190 0 1 HIAF Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@H]3COC(=O)Nc2ccccc2)n1 2356838680 MBZFEILWNWUTJO-YSIASYRMSA-N 418.497 4.472 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4212178 ZDDUUZIKQUZSEB-MTNREXPMSA-N 403.567 4.166 0 1 HIAF O=C(O)[C@H]1C[C@H](N2CCN(c3ccccc3)C2=O)c2c(Cl)cc(Cl)cc2N1 13455365 MCDUTXFQVFQCEV-CVEARBPZSA-N 406.269 4.246 0 1 HIAF COC(=O)c1nc(-c2csc([C@@H](NC(=O)C3CCCCC3)C(C)C)n2)oc1C 28529753 RLFKSKIWOTZTMT-HNNXBMFYSA-N 405.520 4.287 0 1 HIAF O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(Nc2ccncn2)cc1 29049075 MQTAIEXCPYACHN-UHFFFAOYSA-N 401.451 4.488 0 1 HIAF CC(C)[C@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc21 29134948 GKPAWDQEYZGYEO-IBGZPJMESA-N 417.864 4.272 0 1 HIAF CC(C)(C)Nc1nc(N2CCc3ccccc3C2)nc(N2CCc3ccccc3C2)n1 58603069 BFHDETYOUWXEJW-UHFFFAOYSA-N 414.557 4.207 0 1 HIAF O=S(=O)(Nc1cc(-c2cnc3ncccc3c2)cnc1Cl)c1ccc(F)cc1 73195717 GVTHYMBGAHNEQM-UHFFFAOYSA-N 414.849 4.285 0 1 HIAF Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2cnccc21 73223652 KGYARUOCLANHTR-UHFFFAOYSA-N 424.382 4.267 0 1 HIAF O=C1[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2CCN1c1ccc(OC(F)(F)F)cc1 96169502 DXVHIIDHQSBIDF-HNAYVOBHSA-N 408.395 4.209 0 1 HIAF O=C1C[C@@H](C2c3ccccc3-c3ccccc32)C(=O)N1C(=O)c1ccc2[nH]ccc2c1 103278104 KMCBMRDRIPUTAN-NRFANRHFSA-N 406.441 4.496 0 1 HIAF Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)cn1 150250498 NSFQCHWJDXBEMW-UHFFFAOYSA-N 420.391 4.351 0 1 HIAF O=C(Nc1cc(-c2ccc(Br)cc2)[nH]n1)c1cncc(Br)c1 299838298 UMPCUWCDQKBXOD-UHFFFAOYSA-N 422.080 4.249 0 1 HIAF Cc1sc2ncn(CCCCCN3CCN(Cc4ccccc4)CC3)c(=O)c2c1C 299869034 TUJLDIUOIWSTPH-UHFFFAOYSA-N 424.614 4.063 0 1 HIAF Oc1ccc(C2(c3nc4c(Cl)c(Br)cnc4[nH]3)CCOCC2)cc1 586911929 AXRKKYWLTAOZDM-UHFFFAOYSA-N 408.683 4.176 0 1 HIAF COc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1OC 587019911 ZPIWWFPPJYDAMM-UHFFFAOYSA-N 409.471 4.271 0 1 HIAF N[C@@H](N=O)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587183368 XWKUMDRENYHHBK-ZDUSSCGKSA-N 412.618 4.212 0 1 HIAF Fc1ccc2nc(-c3cncc(I)c3)[nH]c2c1Br 587185405 SXOSOWZUORJHLY-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345290 IOMNKQQSBJOTBK-RDPSFJRHSA-N 421.424 4.457 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(N)ccc(O)c21 587472298 FWYDXIMHLIJISW-RUZDIDTESA-N 415.445 4.086 0 1 HIAF CCOC(=O)c1nocc1[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587524783 KEDHTFLVMMXNIL-DEOSSOPVSA-N 418.449 4.034 0 1 HIAF CCOC(=O)COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587525984 XDNBOSGOIHNKRT-NRFANRHFSA-N 410.466 4.222 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccc(Cl)nn23)N1 587706920 SOXKQHVGTRHEHW-HUTHGQBESA-N 409.690 4.082 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](N=O)C(=O)Nc2ccccc2)N1 587744823 TXFIFAFCSNKJQF-JPJOULJCSA-N 420.282 4.111 0 1 HIAF COc1ccccc1[C@]1(CNC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587754409 JPNHIRDGIGIGJU-SZNDQCEHSA-N 421.354 4.373 0 1 HIAF COc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 587756724 FDUDWYXOTFCUDH-YUNKPMOVSA-N 416.294 4.406 0 1 HIAF COc1ccccc1-n1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587761782 WANYOTJCSAXNAU-YUNKPMOVSA-N 416.294 4.406 0 1 HIAF CCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587797612 WJWVETWQXWLLIO-ODXCJYRJSA-N 408.311 4.493 0 1 HIAF NC(=O)N1CCc2sccc2[C@H]1c1csc(COc2ccc(Cl)cc2)n1 962719201 WBSJULFOJVBOJF-KRWDZBQOSA-N 405.932 4.463 0 1 HIAF Cc1cccn2cc(COc3ccc([C@@H]4NCCc5c(C(=O)O)cccc54)cc3)nc12 963121969 MJFPXGQHQNKEQM-QHCPKHFHSA-N 413.477 4.155 0 1 HIAF O=S(=O)(c1cnc2ccccc2c1)n1cc(C2=CCNCC2)c2ccc(Cl)cc21 1857559703 WNYVNTCHATWKSE-UHFFFAOYSA-N 423.925 4.457 0 1 HIAF O=C(O)[C@H]1C2CCC(CC2)[C@@H]1n1ccc2cnc(-c3c[nH]c4ncc(F)cc34)nc21 1857604941 QXVOLKZXJNJXRP-DFYNNNJYSA-N 405.433 4.176 0 1 HIAF COc1cc(C(=O)c2cnc(-c3c[nH]c4ccc(Cl)cc34)[nH]2)cc(OC)c1OC 1857609084 GIVHXPXEVQTGMH-UHFFFAOYSA-N 411.845 4.468 0 1 HIAF O=C(NC=Cc1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2c(O)cccc12 2356691761 WFDOQUFBNGUZFQ-UHFFFAOYSA-N 424.254 4.087 0 1 HIAF C[C@@H]1CCCCN1C(=O)c1ccc(CNC(=O)c2cccc(Br)c2)cc1 27502938 DQNAOZIQVDATSB-OAHLLOKOSA-N 415.331 4.394 0 3 HIAF COc1ccc(C(=O)N2CCCC[C@@H]2c2cc(C(=O)Nc3ccccc3)no2)cc1 61930998 ULFPXXIYMOEODI-HXUWFJFHSA-N 405.454 4.303 0 3 HIAF COc1ccc([C@H](NC(=O)c2ccccc2)c2ccc(C(C)C)cc(=O)c2O)cc1 25979744 PGOQOJDPHIRDLB-QHCPKHFHSA-N 403.478 4.404 0 1 HIAF CCCCc1ncc(CO)n1Cc1ccc2c(ccn2-c2ccccc2C(=O)O)c1 29317139 OYCLBLHPLNHCNE-UHFFFAOYSA-N 403.482 4.408 0 1 HIAF Cc1cccc(Cl)c1Nc1nc2ccc(N3CCN[C@@H](C)C3)cc2n2cncc12 39033598 VWJPPYCULHDHBB-HNNXBMFYSA-N 406.921 4.386 0 1 HIAF in-vivo COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N3CCCC3)n2)cc1 82066783 OYVJLFQXDXMKSV-FQEVSTJZSA-N 403.486 4.372 0 1 HIAF NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1cc(-c2ccccc2)on1 84462453 JGCVAOFCDPADLG-XMMPIXPASA-N 411.505 4.440 0 1 HIAF COc1ccc(F)c(-c2ccc3c(c2)[C@@]2(COC(N)=N2)c2cc(OC)ccc2O3)c1 95575700 MVXQIQQZUNOJEY-QHCPKHFHSA-N 406.413 4.204 0 1 HIAF CC(C)[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc(C(F)(F)F)cc1 96932391 SMJZGDRVSORQDF-INIZCTEOSA-N 414.811 4.458 0 1 HIAF CC(=O)N1C[C@@H]2C[C@@H]1CN2Cc1cc2cc(Oc3nc4cnccc4s3)ccc2o1 101656296 ALVGFUKVAKXBOD-JKSUJKDBSA-N 420.494 4.035 0 1 HIAF CCC[C@@H](O)Nc1nc(Nc2ccc(-c3ncccn3)cc2)c2ncn(C(C)C)c2n1 103185701 PBTNYNHOVGFGNO-QGZVFWFLSA-N 418.505 4.138 0 1 HIAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2C3CCCC2CCC3)c1=O 114711307 QJMXTKVQIOTTEI-PVHYDFKYSA-N 421.541 4.231 0 1 HIAF Cc1nccn1-c1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cc1F 142087409 WWNNAYKHZOMCDU-IFXJQAMLSA-N 424.480 4.264 0 1 HIAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)[C@@](O)(CCc2ccoc2)[C@H](C)[C@H]1OC(C)=O 169310279 JVNDWNJCKQLUBH-WHRQKLDXSA-N 420.546 4.289 0 1 HIAF CC1=C(c2ccc3nc(-c4cccc(-c5ccccc5CO)c4)[nH]c3c2)NNC(=O)C1 586895041 MMEWKNGBZBVNIH-UHFFFAOYSA-N 410.477 4.145 0 1 HIAF Cc1ccc(-n2ccnc2SCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(C)c1 586967134 WWYHNVDUMIXDQO-UHFFFAOYSA-N 412.540 4.061 0 1 HIAF O=C1c2ccccc2-c2cc(-c3ncc(Br)cn3)nc3ccc(O)c1c23 586986739 SRQDAHBTVSOBIK-UHFFFAOYSA-N 404.223 4.371 0 1 HIAF O=CNc1ccccc1-c1nc2ccc(O)c3c2c(c1CC(=O)O)-c1ccccc1C3=O 586988318 JKDPTBRYKXEABY-UHFFFAOYSA-N 424.412 4.014 0 1 HIAF CN(C)CCOc1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 587201473 NGSPVINDXBIXOD-UHFFFAOYSA-N 404.555 4.084 0 1 HIAF Nc1cccc(C(=O)O)c1-c1nc2cc(Br)c(Br)cc2[nH]1 587248046 AVADNDGALRCQDO-UHFFFAOYSA-N 411.053 4.035 0 1 HIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587259152 DOHUIJBRFBOSHJ-HNNXBMFYSA-N 406.408 4.288 0 1 HIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc1OC 587340700 UHNULBFBZLKLLC-NFBKMPQASA-N 409.413 4.218 0 1 HIAF CC[C@]1(c2c[nH]c(C(=O)OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344041 FFLRBAANMKCIIK-NZQKXSOJSA-N 409.413 4.310 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OC)c(F)c1)CC2=O 587465968 IGJWZVFVJXGVNI-JOCHJYFZSA-N 402.418 4.218 0 1 HIAF COC(=O)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587510704 ZMTAAERCJWPXIE-HSZRJFAPSA-N 412.869 4.212 0 1 HIAF CC(C)(C)c1cccc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595831 OUSUAOUUWBCEQR-UQBPGWFLSA-N 415.445 4.499 0 1 HIAF C[C@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610093 PMAXMISAPLLBLY-YQOTULCSSA-N 406.478 4.444 0 1 HIAF CC(C)(C)c1ocnc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657140 WRMCZXQDKXAFDA-UHFFFAOYSA-N 409.392 4.316 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(F)cc(Cl)c12 587734933 SRNBOSYPMYBQFK-BWKAKNAASA-N 413.649 4.111 0 1 HIAF CC[C@]1(c2ccc(OCC(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587792460 LHCBQTOHGTXLJJ-MPBGBICISA-N 422.294 4.239 0 1 HIAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c2)c1 587932770 QJDCPLRZKUIFPH-UHFFFAOYSA-N 414.509 4.363 0 1 HIAF COc1ccc2[nH]cc(CCNC(=O)C3CCN(Cc4ccccc4C)CC3)c2c1 653891184 VITNUIFTUFCBDI-UHFFFAOYSA-N 405.542 4.056 0 1 HIAF CC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2c(-c3ccc(Cl)cc3)csc21 958054846 MBGFZLWCBFXXEB-UHFFFAOYSA-N 410.882 4.123 0 1 HIAF COc1cc2c(cc1OC)[C@H](c1ccc(O)c(C)c1)N(C(=O)c1ccccc1N)CC2 963144544 TYYLEVAKXURZOI-DEOSSOPVSA-N 418.493 4.088 0 1 HIAF O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)C(F)(F)C2)CCN1Cc1ccc(Cl)cc1 1772578434 OIMXBHXLIVXEEQ-VQTJNVASSA-N 420.887 4.271 0 1 HIAF C[C@H]1[C@H](/C=C/c2ccc(-c3cccc(F)c3)cn2)[C@H]2[C@@H](C)OC(=O)[C@]2(O)CC1(F)F 1772656993 PRPIXHLBIZPOEK-SHPVTEOMSA-N 417.427 4.485 0 1 HIAF CC[C@H](C)NC(=O)c1c(NC(=O)c2ccc(F)c(Cl)c2)nc2ccc(C)cn12 1857602993 NMFNKCDXPULVGM-LBPRGKRZSA-N 402.857 4.216 0 1 HIAF O=C(Cc1ccccc1)N1N=C(c2cccc(C(F)(F)F)c2)C[C@]1(O)C(F)(F)F 1857750830 UZJKBRDHMDQLOY-KRWDZBQOSA-N 416.321 4.135 0 1 HIAF COc1nc2ccccc2cc1-c1cnc([C@@H](N)CCCCCC(=O)c2cc[nH]n2)[nH]1 1911581981 UKNPNNJYGOJZRO-KRWDZBQOSA-N 418.501 4.190 0 1 HIAF CCN(CC)c1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1 592942 IKKRFZWQNJAIGD-UHFFFAOYSA-N 403.935 4.442 0 1 HIAF Cc1nc(N2CCCC[C@H]2C)c2c(C)c(C(=O)Nc3nnc(C)s3)sc2n1 753886 MJAPOBBBVBGCGH-SECBINFHSA-N 402.549 4.099 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCOC 4152888 BCOVRVQHRCMLER-VWNXMTODSA-N 424.541 4.453 0 1 HIAF O=C1C[C@H](c2ccc(O)cc2)c2c(cc3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)O1 13382672 ZDCISPDGWCQAIP-AEFFLSMTSA-N 402.402 4.245 0 1 HIAF biogenic Cc1cc(C)c(/C=C/[P@](=O)(O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 13885166 PZRJNNIVYSSRMG-LXXRFIIISA-N 406.390 4.495 0 1 HIAF CC(C)(C)OC(=O)c1ccc(NC2CCN(c3nc(N)c4ccccc4n3)CC2)cc1 27525279 BLOVCNNPAWMIHB-UHFFFAOYSA-N 419.529 4.248 0 1 HIAF O=C(Nc1nc(-c2ccc(F)c(F)c2)ns1)c1ccc(Nc2ccncn2)cc1 28953156 QSEQTQKRPGEQTF-UHFFFAOYSA-N 410.409 4.269 0 1 HIAF O=C1NC(=O)[C@@H](Cc2ccc(C(=O)CCc3coc(-c4ccccc4)n3)cc2)S1 29548591 IPLGYYXTAQDNOV-LJQANCHMSA-N 406.463 4.051 0 1 HIAF O=C1CSc2ccc(NC(=O)C3CCN(c4cc(F)c(F)c(F)c4)CC3)cc2N1 34630502 DJHMFVFSYHDTQX-UHFFFAOYSA-N 421.444 4.003 0 1 HIAF COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)c4)c3n2)cc(OC)c1OC 36348672 YNUMQFGEJSNYKB-UHFFFAOYSA-N 411.849 4.238 0 1 HIAF COc1ccc(C(CCN(C(C)C)C(C)C)(CCN(C(C)C)C(C)C)C(N)=O)cc1 40465249 QVZHJNSWXQQQDV-UHFFFAOYSA-N 419.654 4.436 0 1 HIAF CC(=O)c1ccc2[nH]c(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)c(Cl)c2c1 40918766 YMQAIAQXKHGFHP-UHFFFAOYSA-N 413.880 4.121 0 1 HIAF COc1ccc(C(=O)c2ccc(=O)n(/C=C/Nc3cccc4ccccc34)c2)c(O)c1 45324075 XCPIASIZPQTZQM-BUHFOSPRSA-N 412.445 4.487 0 1 HIAF Brc1ccccc1Cn1cc[n+](Cc2ccccc2Br)c1 58541079 WGVUWBZHXPHIHX-UHFFFAOYSA-N 407.129 4.397 0 1 HIAF Cc1nnc(-c2cccc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)c2)o1 68204824 XOBOUIANSWIUGE-UHFFFAOYSA-N 410.547 4.018 0 1 HIAF O=C(c1ccco1)N1CCN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)CC1 72101648 VWOHNYQULLUUEG-UHFFFAOYSA-N 406.269 4.199 0 1 HIAF O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2[nH]ncc2c1 72178619 IKANYDMRAFPCDG-IBGZPJMESA-N 403.313 4.340 0 1 HIAF Cc1nn(C)c(C)c1Cc1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 95921427 XZORQADPEUSNQJ-UHFFFAOYSA-N 423.542 4.023 0 1 HIAF in-vitro CO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]23C)[C@H](OC)O1 96923289 LGITXCALUZAZQD-ZRRYVOMASA-N 424.578 4.444 0 1 HIAF CC(C)Oc1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@@H]4CC(=O)O)cc1C#N 114898572 WBHAZTBAKNZXNJ-OAQYLSRUSA-N 419.481 4.067 0 1 HIAF CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F 117295246 RAZYOIFBXMSUEN-ACDBMABISA-N 414.496 4.430 0 1 HIAF COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccccc2)cc1 166319374 UQUJWSMBUSRDDO-UHFFFAOYSA-N 416.886 4.402 0 1 HIAF COC[C@@H]1CCCN1C(=O)[C@@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169720816 BISDATDRFVQCJJ-GDIGMMSISA-N 421.328 4.139 0 1 HIAF CCc1ncc(Cc2cc3cc(OC)ccc3[nH]c2=O)c2cc(OC)c(OC)cc12 205649149 APQXSTXOLYKHTQ-UHFFFAOYSA-N 404.466 4.255 0 1 HIAF COc1ccc2c(c1OC)CN(C)c1c-2cc(CC(C)=O)c2cc3c(cc12)OCO3 238736186 RXCFRFOANJHQRV-UHFFFAOYSA-N 405.450 4.334 0 1 HIAF O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(F)cc3O)nccc2c1 261161083 QWKJLJZAJOXYLC-UHFFFAOYSA-N 401.444 4.004 0 1 HIAF CN1CCN(Cc2c(-c3ccccc3)nn3cc(-c4ccc(Cl)cc4)n(C)c23)CC1 299824380 KPTZUZVDMMIXSA-UHFFFAOYSA-N 419.960 4.408 0 1 HIAF O=c1c(-c2nc3c(F)cc(F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 587006499 LSXDJFBURKKKGY-UHFFFAOYSA-N 416.225 4.481 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587146028 VUKSVOBIAWGPEZ-UHFFFAOYSA-N 413.449 4.425 0 1 HIAF Cn1ccnc1[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339012 DCQGYLHWRMOWLI-NZQKXSOJSA-N 404.397 4.161 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4occc4C(=O)O)cc1)[C@@H](C2)C3=O 587456716 XSCAPXVFBKAFPH-HTAPYJJXSA-N 406.390 4.054 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(F)cc1F)CC2=O 587468433 XADBLJFHYRXYOV-QFIPXVFZSA-N 404.409 4.437 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)C(=O)O)c(OCC)c1)CC2=O 587481925 IZEJAVDQMAESFR-ZUOKHONESA-N 414.454 4.302 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1sc(C)nc1C)CC2=O 587496397 XBUMFIDAWWYYJU-NRFANRHFSA-N 403.500 4.232 0 1 HIAF C[C@@]1(c2cc(Cl)cnc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551810 KBIWCEUNZSZTTQ-IERDGZPVSA-N 411.797 4.016 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(F)c(Cl)cc12 587728661 FVBBUSGJDJLEPT-BWKAKNAASA-N 413.649 4.111 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncn2Cc2ccccc2)N1 587752115 BSPMXHDSUDDOLA-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(Cl)s2)N1 587849615 UMXAUXKYDIXUJT-MLXNANBUSA-N 404.688 4.166 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnnn1-c1ccccc1 587860569 XCXXHDAVSXBYRG-UHFFFAOYSA-N 401.257 4.221 0 1 HIAF CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)nc1 587874777 BOBYHRHFBISKMA-UHFFFAOYSA-N 416.478 3.987 0 1 HIAF CCCN1C(=O)c2ccccc2N[C@@H]1c1nc(C(=O)OC)cc2c1[nH]c1ccccc12 653747924 CDRIAUCEFLOZKZ-QFIPXVFZSA-N 414.465 4.479 0 1 HIAF C[C@]1(CCc2ccc(F)c(F)c2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962650787 ZXEWIEROBZIVKY-ZEQRLZLVSA-N 410.464 4.460 0 1 HIAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1OCc1ccccc1 962891339 DLZNYBISZMRBCX-NZQKXSOJSA-N 407.441 4.102 0 1 HIAF c1ccc([C@]2(c3ccccc3CN3CCCC3)NCCc3nc4ccccn4c32)cc1 962990705 SSCVJPMGXDQMGX-HHHXNRCGSA-N 408.549 4.368 0 1 HIAF COC(=O)c1cc(Br)cc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963103327 KVILPFVPWYOBCS-LPHOPBHVSA-N 404.279 4.485 0 1 HIAF COc1cc(OC)c2c(c1)O[C@]1(c3ccccc3)[C@H](c3ccccc3)C[C@H](O)[C@@]21OC 2356570526 LPOCCMXPFMBZCP-XOEVLYMDSA-N 418.489 4.382 0 1 HIAF COc1ccccc1N1CCN(C(=O)c2cc3c(C)nc4ccccc4c3o2)CC1 4901848 XJLAJPCQYOVJAU-UHFFFAOYSA-N 401.466 4.260 0 3 HIAF OCC1(Cc2ccccc2)CCN(C2CCN(c3ccc(F)c(F)c3)CC2)CC1 13594196 WTVFVWNWXBTUFS-UHFFFAOYSA-N 400.513 4.251 0 3 HIAF Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1 1489489 WBGXKEVRNQTTMO-XNTDXEJSSA-N 407.495 4.030 0 1 HIAF COc1cc(-n2c(C)nc3cc(C(=O)NC4CCCC4)ccc32)cc(OC)c1OC 2926547 DRARCOFAVZKWBO-UHFFFAOYSA-N 409.486 4.032 0 1 HIAF CCN(CCCCC[C@@H](C)F)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 3821709 YZBMUXUJPCBQFJ-XLIONFOSSA-N 402.576 4.112 0 1 HIAF COc1cc2c(cc1OCCCN1CCN(c3cccc(Cl)c3)CC1)CCC2 26503656 JNGLBHIFBMGDRE-UHFFFAOYSA-N 400.950 4.428 0 1 HIAF COc1ccc(C2=NN(c3nc4ccccc4c(=O)n3C)[C@@H](c3cccs3)C2)cc1 40394174 NPGNQYCGVMCDOM-HXUWFJFHSA-N 416.506 4.359 0 1 HIAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2cccnc2)nc2ccc(OC)cc12 52565425 GGLPNSAWEAKNAF-BSPFGIBGSA-N 403.526 4.459 0 1 HIAF CCN(CC)C(=O)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72100946 ZPJDMWKKYMBLRB-NRFANRHFSA-N 400.954 4.340 0 1 HIAF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2ccc(F)cc2)n1 82140329 UAHFXRXOYMRLCL-CQSZACIVSA-N 422.460 4.152 0 1 HIAF CCCCOc1c(OCC[18F])ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12 101330395 PWLGKMYYLCKNGO-VNRZBHCFSA-N 403.485 4.118 0 1 HIAF O=C(c1cc(-c2cccnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 144767972 UOEKVSVFNDFLPP-JOCHJYFZSA-N 410.395 4.373 0 1 HIAF CCCCC[C@H](C[C@H](CCc1ccc(OC)c(OC(C)=O)c1)OC(C)=O)OC(C)=O 238771865 XZMCSNNVVYNRPZ-RTWAWAEBSA-N 422.518 4.387 0 1 HIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cccc(Br)c3[nH]2)c1 586931165 XFYKNZSEOQUEKP-UHFFFAOYSA-N 408.321 4.023 0 1 HIAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 586948543 ILWFDOBMMNUGCW-UHFFFAOYSA-N 407.495 4.104 0 1 HIAF O=C(O)C1=C[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)N(c2ccccc2)N1 587105746 HAVCRVYFFQLRMP-HSZRJFAPSA-N 419.440 4.481 0 1 HIAF CNS(=O)(=O)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587209293 NDACQNATOIQOBX-UHFFFAOYSA-N 400.459 4.021 0 1 HIAF C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342468 DXGKEFBKHFQCSM-CUKRAGERSA-N 413.445 4.268 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(Br)cc1)O2 587373953 WDFQBLBXODKFSG-IBGZPJMESA-N 404.260 4.065 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(Br)o1)[C@@H](C2)C3=O 587417247 KJYQMZOYZULAPO-RTHLEPHNSA-N 414.049 4.302 0 1 HIAF COc1ccc([C@]2(CCCCCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442268 KQNWJZITISTAJA-DVECYGJZSA-N 410.466 4.382 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC(C)=O)cc(OC(C)=O)c1)CC2=O 587477773 IYNXIPHTZCMTOC-HSZRJFAPSA-N 412.438 4.076 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CC[C@H]1N(C(=O)OCc1ccccc1)C2 587486947 NHFDWLLHVHCEHE-CBCWYDDASA-N 421.493 4.480 0 1 HIAF C[C@@]1(c2cnc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551427 FGWVKOUCRILTJB-KUHUBIRLSA-N 403.221 4.366 0 1 HIAF CC(C)Cn1cc([C@@]2(C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587554804 JLXWLSSOEUBLKD-XMSQKQJNSA-N 414.408 4.367 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(Br)n1 587653570 JFSUWPBFVZAHRJ-UHFFFAOYSA-N 414.209 4.488 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cn2)N1 587679427 FFZXPKYBHKNLFF-ANRSDYALSA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(Cl)cc3)nn2)N1 587693328 DLJNEUOAYDQZBZ-YPMLDQLKSA-N 421.701 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccco2)N1 587707370 UOFYPMHGUDJYFO-FVMDXXJSSA-N 420.200 4.481 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587724570 JMBPUEKDJMLPFB-ODXCJYRJSA-N 424.285 4.377 0 1 HIAF COc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587746425 ZNUCDHICWCRESK-ODXCJYRJSA-N 421.310 4.375 0 1 HIAF CCOC(=O)c1csc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587854259 SJKYBZJVLSSNML-XLFHBGCDSA-N 413.312 4.019 0 1 HIAF COc1cc2c(cc1OC)[C@@](Cc1ccccc1)(c1c[nH]c(C(=O)O)c1)N(C)[C@@H](C)C2 962561570 DHDSGLASKNZFDP-IVCQMTBJSA-N 420.509 4.093 0 1 HIAF NC(=O)N1CCc2sccc2[C@]1(c1ccc(Cl)nc1)c1cccc(F)c1F 962709694 RBDVTUPFXNWDOK-LJQANCHMSA-N 405.857 4.303 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@]1(C=C(c3ccccc3)Oc3ccc(F)cc31)NCC2 962922753 HEHABMBDNVPLPL-SANMLTNESA-N 414.480 4.350 0 1 HIAF CC(C)[C@]1(CCc2cccc(N)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957895 CSIODTRSWZSNRV-UWJYYQICSA-N 408.876 4.283 0 1 HIAF O=C1CCN(Cc2ccccc2)CCN1[C@H](COc1ccccc1)Cc1ccccc1 12474285 YCJCXVXIJJORPP-VWLOTQADSA-N 414.549 4.411 0 3 HIAF Cc1cc(C)c2c(n1)nn1c(C)c(CCC(=O)N[C@@H](C)c3cccs3)c(C)nc21 5151071 PJRAUWCKMSOHKM-HNNXBMFYSA-N 407.543 4.383 0 1 HIAF O=c1nc(Nc2ccccc2)[nH]c2c1ncn2CCCCN1CCC[C@H]2CCCC[C@@H]21 13644900 WHNWGLBSXQAFNX-QUCCMNQESA-N 420.561 4.298 0 1 HIAF O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1 22927402 WVFBRUMPXXQZGE-UHFFFAOYSA-N 418.537 4.276 0 1 HIAF COc1ccc2c(c1)c(CCCC(=O)N1CCOCC1)c(C)n2Cc1ccccc1 28704767 OMWSFUKYPYTAAH-UHFFFAOYSA-N 406.526 4.188 0 1 HIAF O=C(N[C@@H]1CCc2ccccc2N(Cc2ccccc2)C1=O)c1cc2ccccc2[nH]1 29407883 HFJWHNYVTXIFNI-JOCHJYFZSA-N 409.489 4.446 0 1 HIAF Cc1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2C[C@@H]2CCCO2)o1 82179607 LEPBXMPKYRHHMF-SFHVURJKSA-N 421.476 4.367 0 1 HIAF CCCCc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1 82193020 BVNCWSOAPSRLML-CTNGQTDRSA-N 413.587 4.417 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(N2C[C@@H]3C[C@@H]2CN3c2ccc(Cl)cc2)nc1 101095135 VXLCATWCUQGGAQ-RBUKOAKNSA-N 419.916 4.037 0 1 HIAF O=C(NCCOc1ccccc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167470917 NVRKUUVGHKBKIY-UHFFFAOYSA-N 401.466 4.043 0 1 HIAF COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC 205496070 GVDMITGOTSRFKD-YADARESESA-N 404.466 4.074 0 1 HIAF COc1ccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)c(F)c1 221116943 MJAOPMBWEVMUPI-WLJAHRKQSA-N 408.445 4.147 0 1 HIAF COc1ccc(-c2cc(C(=O)N[C@@H](CC(=O)O)c3ccccc3C)cnc2OC)cc1 261151644 PCCJGRINJSWYKO-NRFANRHFSA-N 420.465 4.020 0 1 HIAF Cc1cc(Br)c2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c1 586920251 GLNZNRMZEOOGKP-UHFFFAOYSA-N 419.344 4.139 0 1 HIAF FC(F)(F)c1ncc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc-2[nH]1 587117857 WZUWSZXHBVPJJB-UHFFFAOYSA-N 424.736 4.312 0 1 HIAF Cc1nc(N(C)C)ncc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587194239 BEECNHQNNXTWST-UHFFFAOYSA-N 416.201 4.055 0 1 HIAF C/C(=C\[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587333609 GVSZAXZMXQVLHI-XYSNRDCJSA-N 419.456 4.041 0 1 HIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 587337924 WGCVWSVUFFGAGX-DENIHFKCSA-N 414.335 4.149 0 1 HIAF O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 587358936 QUVAGADLDKXNFV-XUZZJYLKSA-N 418.376 4.147 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(N3CCOCC3)cc1)O2 587397960 CWWMESCIZHUBNM-AREMUKBSSA-N 414.505 4.323 0 1 HIAF COc1cc2c3c(c1)O[C@@H](C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587433490 REGBEPMVNXSCMG-UWIFEVILSA-N 401.503 4.285 0 1 HIAF Cn1nc(C(F)(F)F)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554975 JZEFGXCXZBIGHZ-VQIMIIECSA-N 404.344 4.022 0 1 HIAF CC(=O)N1CCc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587592546 HVMOEXXVYAUQIU-RDGATRHJSA-N 415.445 4.178 0 1 HIAF CCOC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587636829 KQHXLGSQGHMUTA-UHFFFAOYSA-N 416.227 4.041 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587707856 XHALUHGUDQIKGM-ILMHXZGMSA-N 420.269 4.316 0 1 HIAF CC(=O)Nc1cccc2c1[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587745448 WFJYXNJGILGVMQ-GIPWTMENSA-N 403.295 4.271 0 1 HIAF Cc1cccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587746494 ZXUDUWUESDFOQH-BLVKFPJESA-N 406.299 4.070 0 1 HIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587784419 GXSYANXXNZNGAU-CHWSQXEVSA-N 418.234 4.111 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587802541 MRAMAISXLUFSFB-GIGQVBGESA-N 417.278 4.480 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCSCC3)nc2)N1 587857147 PIYRPXRBXIBBHI-HXPMCKFVSA-N 422.367 4.160 0 1 HIAF COc1ccc(NCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862863 ZJNQWCGYZKSIHO-UHFFFAOYSA-N 405.376 4.338 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1nn(C)c2ccc(Br)cc12 963062920 YCZVOUZFOOYIBY-OAQYLSRUSA-N 423.314 4.128 0 1 HIAF C[C@@]1(c2ccc(F)cc2F)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182869 NTPCKNHDYITCGI-GUYCJALGSA-N 405.750 4.499 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1ccc2nonc2c1 963853356 HABJUJNDRZYMLD-IERDGZPVSA-N 423.469 4.257 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)C(=O)CC(C)C 963914653 IWMVHALMNGMUPR-UZUQRXQVSA-N 403.519 4.462 0 1 HIAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)cc2C(=O)O)C1 1857562789 FWVSXRCCXRMYBR-GOSISDBHSA-N 417.465 4.390 0 1 HIAF CCCC=C1OC(=O)C2=C[C@H]3CC[C@@]12[C@@H]1C2=C(CC[C@H]31)C(=CC[C@H](C)CO)OC2=O 2356357800 LOVKMDKTRUJTIN-PSPJXGSLSA-N 410.510 4.346 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CBr 4023695 IJWRHVPBIVEEQB-INWOFZLFSA-N 409.364 4.213 0 1 HIAF biogenic O=[S@@](Cc1cc(OCc2ccc(F)cc2F)ccn1)c1nc2cscc2[nH]1 13448750 FACADWWILYMHLV-HHHXNRCGSA-N 405.451 4.184 0 1 HIAF COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccccc4)CN23)cc1 13527988 AEIPBGWCBLFAEY-RSXGOPAZSA-N 423.516 4.493 0 1 HIAF Nc1c(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccc2cnccc12 14962621 XDYREIZGNBPMPJ-IBGZPJMESA-N 409.493 4.309 0 1 HIAF C[C@@]12CC[C@@H]3c4ccc(OP(=O)(N5CC5)N5CC5)cc4CC[C@H]3[C@@H]1CCC2=O 17323948 QFASSRYAKVZHGY-XWSHUIEDSA-N 400.459 4.230 0 1 HIAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCC4)CC(=O)N32)cc1 26771668 RCHFUUBRLYQKLW-RCZVLFRGSA-N 413.521 4.104 0 1 HIAF biogenic CC[C@H](O)[C@@H](O)n1c(=O)c(-c2ccccc2C)c(-c2ccncc2)c2ccccc21 29040018 DUVVQFBTVHFVNE-XUZZJYLKSA-N 400.478 4.301 0 1 HIAF C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1c1nncc2ccccc12)OCO3 29567264 KPGDXPCNNVIMEY-OAHLLOKOSA-N 423.476 4.144 0 1 HIAF CN(CCO)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 36402320 WTSCOSZAJIHLND-UHFFFAOYSA-N 424.497 4.098 0 1 HIAF COc1ccc(Cc2cc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)no2)cc1 40846819 CCAJVKOKKZRBFA-UHFFFAOYSA-N 420.465 4.023 0 1 HIAF CC[C@H](C)C(=O)O[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 43204623 PCZOHLXUXFIOCF-FHWWMWLHSA-N 404.547 4.196 0 1 HIAF CN(C)c1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cc2)ccn1 45347925 CBQBKGVMVVWUIQ-UHFFFAOYSA-N 417.440 4.015 0 1 HIAF CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C)cc2)CC[C@H](N(C)C)C1 60325923 LYGXTKJBXJMAQL-INIZCTEOSA-N 414.596 4.328 0 1 HIAF CCCc1cc(=O)oc2cc(OCc3nnc(S)n3Cc3ccccc3)ccc12 64516432 NLTCXWDQPAOXJO-UHFFFAOYSA-N 407.495 4.253 0 1 HIAF Cn1nc(COc2cccc(F)c2)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2 64566003 YOWSXWDXCBUJCF-UHFFFAOYSA-N 414.868 4.382 0 1 HIAF C[C@H]1CN(c2nc(Nc3ccc4[nH]ncc4c3)cc(-c3cccc(O)c3)n2)C[C@@H](C)O1 64573795 WOSPXTGZCPVNFI-GASCZTMLSA-N 416.485 4.083 0 1 HIAF CSc1nn2c(=O)cc(-c3ccncc3)nc2n1Cc1cccc(Cl)c1Cl 84616771 IZSDHGXDTMEXJI-UHFFFAOYSA-N 418.309 4.030 0 1 HIAF CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95874470 WHIDLAPBXJGMLF-SLGLPASVSA-N 404.554 4.018 0 1 HIAF CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4CC3CCCCC3)cc2)c1 100101503 MJJRKQDHFZJTAJ-GPOLMCQNSA-N 417.597 4.375 0 1 HIAF COc1ccc(Cl)cc1Nc1ccc(F)c([C@@]2(C)N=C(N)N(C)C(=O)C2(C)C)c1 114109827 BXEJTNMVGGAFEN-OAQYLSRUSA-N 418.900 4.259 0 1 HIAF O=C1c2cc3c(cc2C2(CC2)N1CCC1CCN(Cc2ccccc2F)CC1)OCO3 206556492 VBJYWKBQJKJLQQ-UHFFFAOYSA-N 422.500 4.302 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N4CC(c5cccc(F)c5)C4)ncc23)ccn1 219748298 QVWTXOZZDPDXSW-UHFFFAOYSA-N 402.433 4.099 0 1 HIAF CCOc1cccc([C@]2(N3CCN(c4ccc(Cl)nn4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 261070921 ABMVPPVIAHIGQO-GWELSWLNSA-N 412.965 4.222 0 1 HIAF NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cc(-c3ccccc3)n[nH]2)CC1 299837004 OAMKOZSWGNQLBN-RRPUWOKSSA-N 402.542 4.242 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cnc(Cl)[nH]c-3n1)N2 587033238 XQRDNCVVPXSCTQ-VUMIPSPVSA-N 406.924 4.085 0 1 HIAF O=C1C[C@H](c2nc3ccc(F)c(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587151427 ZNJLKBDRTQEXIX-JTQLQIEISA-N 424.220 4.259 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)nccc2[nH]1 587180569 GUZCVHOYRGNNQG-ZETCQYMHSA-N 401.639 4.050 0 1 HIAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587226313 YRBHWIMMTJJFLY-UHFFFAOYSA-N 407.257 4.368 0 1 HIAF CN(C)/C=C/[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378817 WOQZQZFBGPTDFF-BOBXNGDZSA-N 410.470 4.318 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557044 LGVWJIOIHOFBSJ-HYBUGGRVSA-N 422.408 4.260 0 1 HIAF COC(=O)c1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587597311 YDNQOQWHLSRTNF-PZJWPPBQSA-N 404.418 4.142 0 1 HIAF O=C(c1cc(-c2ccncc2)nc2ccccc12)n1ncc2ccc(Cl)cc2c1=O 587652321 PBZPHOKFBZSHML-UHFFFAOYSA-N 412.836 4.349 0 1 HIAF CCOC(=O)[C@@]1(CCC(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587711100 VWHCUGFHQLLURJ-VFZGTOFNSA-N 412.221 4.223 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3ccccc3)nn2)N1 587762195 XLTPEXZDGFAOBT-RBZFPXEDSA-N 415.310 4.026 0 1 HIAF Cc1nn(-c2ccncc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587764220 PDQTUDURXOZGLB-NSPYISDASA-N 401.283 4.101 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C(=O)C2)N1 587767654 JOTNCJXYSCZYAZ-SZNDQCEHSA-N 417.322 4.140 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5CCC(=O)[C@@H]5C)[nH]c4c3)o2)cc1 587960747 BBWNIABXVMUBAH-HIFRSBDPSA-N 402.454 4.446 0 1 HIAF CC[C@]1(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CC(=O)c2ccccc2C1 587962200 VSMXCWSXKUVFFF-RUZDIDTESA-N 402.542 4.083 0 1 HIAF Cc1cc2c(cc1F)[C@H]([C@H]1[C@H]3C=C[C@@H](C3)[C@H]1NC(=O)OCc1ccccc1)NCC2 962095089 UYDWSRFFDNMWJE-JVAGSPMVSA-N 406.501 4.438 0 1 HIAF CSc1ncc([C@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(C)n1 962950161 CFOWNVZKCCXYJS-IBGZPJMESA-N 423.504 4.441 0 1 HIAF O=C1C[C@H](c2ccccc2Cl)C[C@]2(C1)N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963240915 ZXIJFOHXUAXTDJ-PINLKFFASA-N 420.896 4.219 0 1 HIAF Cc1cc2c(cc1O)[C@](C)(c1cccc(OCc3ccccc3)c1)N[C@H](C(=O)O)C2 963509515 NVJRVVSVURAEBC-DHLKQENFSA-N 403.478 4.142 0 1 HIAF Cc1cccc2c1[C@@H](c1cc(C3CC3)[nH]n1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963903739 FTNZVIMVVHXMLI-IIBYNOLFSA-N 411.502 4.321 0 1 HIAF CCNC(=O)C[C@@H]1N=C(C2CCCCC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc21 1772637075 UVTKTBNWUZYOKN-QFIPXVFZSA-N 421.541 4.011 0 1 HIAF CCc1ccc([C@@H]2c3[nH]c4ccc(OC)cc4c(=O)c3CN2c2ncccn2)s1 1857763235 YCGWQKIBGNAIIL-HXUWFJFHSA-N 404.495 4.060 0 1 HIAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccc(F)cc6)cccc5c4CCN3C(=O)[C@@H]12 199738070 IZAKSBAPDQXBJF-CUCDBKBVSA-N 405.473 4.054 0 3 HIAF CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2C)ccc1OC 774361 YSGDMNBMJNJUBF-UHFFFAOYSA-N 410.470 4.038 0 1 HIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(Cc3ncco3)cc2)c1C 13809630 BXIJQVAKFNNDBG-UHFFFAOYSA-N 409.467 4.338 0 1 HIAF Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCC4)CC(=O)N32)c1 15953854 QZGRVXGNVGRPNP-RCZVLFRGSA-N 413.521 4.104 0 1 HIAF biogenic C[C@@H](NC(=O)N1C(=O)C[C@]1(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1 26377475 FOSUHQAUDWLEAC-MZNJEOGPSA-N 408.498 4.013 0 1 HIAF C/C=C(C)/C=C/[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC/C=C\CCC(=O)OC 27747241 FPKJBUWAADEGDP-VVMCZKRHSA-N 404.547 4.062 0 1 HIAF CC(C)N(C)c1nc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cn3)cc2[nH]1 40973554 WJVVLFLZZWTTAS-UHFFFAOYSA-N 405.424 4.393 0 1 HIAF O=C(Nc1ccc2c(c1)CCN2[C@@H]1CCN(Cc2cccc(F)c2F)C1)c1ccco1 45190817 LXQHOTOMJFMDIO-LJQANCHMSA-N 423.463 4.447 0 1 HIAF O=C(Nc1cccc(Cl)c1N1CCN(C2CC2)CC1)c1ccc(Br)o1 62241844 DWBUOTPQOTXBPX-UHFFFAOYSA-N 424.726 4.232 0 1 HIAF CCc1nc(C)cn1CCN(CCn1ccnc1)Cc1ccc(Cl)cc1Cl 64479755 YWYKMYJSQLSMRO-UHFFFAOYSA-N 406.361 4.460 0 1 HIAF COC(=O)/C=C/c1cnn(-c2ccc(C(C)C)cc2)c(=O)c1Oc1ccc(OC)cc1 66156346 RKMRLLSWYXFKDL-VGOFMYFVSA-N 420.465 4.343 0 1 HIAF O=C(c1c(Oc2ccccc2F)n(-c2ccccc2)c2ncccc12)N1CCNCC1 72181656 WBEBFEQTTHPTOE-UHFFFAOYSA-N 416.456 4.002 0 1 HIAF COc1cc2nc(NCCCCO)nc(NC[C@H](C)c3ccccc3)c2cc1OC 82126352 XJZZTIFEYDTPCI-INIZCTEOSA-N 410.518 4.047 0 1 HIAF CC(=O)NCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 82163329 CYQGPMKEDITRRT-UHFFFAOYSA-N 415.522 4.482 0 1 HIAF CC[C@@H]1COc2c(F)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 95554636 JOEJNYHJRTUVDE-JSRPBHDRSA-N 410.489 4.183 0 1 HIAF CN1[C@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 96175293 OBYIQVADFNDRMU-YCRPNKLZSA-N 405.523 4.184 0 1 HIAF Cc1cccc2c1C=CC21CCN(S(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)CC1 100640479 XDICFWJUUJQOOZ-MHECFPHRSA-N 413.583 4.081 0 1 HIAF CC(C)(C)OC(=O)NCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144802543 IQSXQDLVHLTBFO-HXUWFJFHSA-N 409.404 4.369 0 1 HIAF CN1CCC(Nc2ccc3ncc(-c4ccc(Nc5ncccc5F)cc4)n3n2)CC1 146148202 CMNZLOPMBPOKHY-UHFFFAOYSA-N 417.492 4.180 0 1 HIAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1cccc(C(F)(F)F)c1C)C2 219540046 AUCXWPLWZJTPTQ-LLVKDONJSA-N 415.419 4.089 0 1 HIAF CC(C)N1CCN(c2cc(-c3n[nH]c4ccc(-c5cccs5)cc34)ncn2)CC1 221157873 RRGBWLIZDXFDLX-UHFFFAOYSA-N 404.543 4.279 0 1 HIAF CC1=CC(=O)O[C@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]1(C)O)[C@@H]23 238780449 YSJDJCWAZGWPOS-OKLMBCSJSA-N 416.558 4.484 0 1 HIAF O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261183750 WTONWMINNVVDTM-XGAFWQRZSA-N 412.574 4.460 0 1 HIAF CC(C)COc1cc(C(=O)Nc2ccc(C(=O)O)cc2OCC(C)C)ccc1N 299852849 YGAGTKFPQHJBPC-UHFFFAOYSA-N 400.475 4.289 0 1 HIAF Cc1sc2ncn(CCCCCN3CCN(c4ccccc4)CC3)c(=O)c2c1C 299871962 ZOXLRDTVBYCWBL-UHFFFAOYSA-N 410.587 4.067 0 1 HIAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(F)cc2[nH]1 586956669 RQVQVZYSPYRBEG-UHFFFAOYSA-N 423.469 4.129 0 1 HIAF COC(=O)c1cc2[nH]c(-c3c(OC)c(Cl)cc(Cl)c3OC)nc2cc1OC 587044631 JOMLYYOWUFYSNE-UHFFFAOYSA-N 411.241 4.349 0 1 HIAF C[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)n1nc(C(F)F)c(Cl)c1C(F)F 587128464 MNXUIQGJSOBLJQ-YFKPBYRVSA-N 417.750 4.228 0 1 HIAF Cc1c(Cl)ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 587183719 HONUSASBZBLPDT-CYBMUJFWSA-N 411.674 4.372 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239630 MEEGBPXFEMNWRV-LBBIBPJZSA-N 407.461 4.396 0 1 HIAF C[C@@H]1Nc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587343760 DIVCBXGXHJANCV-MLORMASFSA-N 403.409 4.169 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350194 RJHXGDSYCJHEKW-ZJSXRUAMSA-N 406.409 4.349 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccccc1Br)O2 587375021 BFOJZXREOINIEF-IBGZPJMESA-N 404.260 4.065 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)O)Oc2ccc(Cl)cc21 587462425 OQVUNZULMYHJOV-NQIIRXRSSA-N 402.830 4.095 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCOC)c(OC)c1)CC2=O 587484752 VAWZWOBZKRRLOP-HSZRJFAPSA-N 400.471 4.259 0 1 HIAF CCOC(=O)C[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610320 FLQLZRUVUFSGNA-SIKLNZKXSA-N 410.447 4.264 0 1 HIAF Cc1ccnc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587739589 BIFAXWGZMCCETB-CWTRNNRKSA-N 406.299 4.070 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)NC(=O)OC(C)(C)C)N1 587753555 HOLGKYGJFVMSBD-ZUZCIYMTSA-N 401.320 4.467 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587825945 CLDUTDWODBIFGT-UGZDLDLSSA-N 408.267 4.302 0 1 HIAF COC(=O)c1oc2c(c1C)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587832159 YWCYKGSALPFOJN-SBKAZYGRSA-N 422.294 4.390 0 1 HIAF COc1cccc(OC)c1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862502 QAWAVSLYWZFYMZ-UHFFFAOYSA-N 406.360 4.283 0 1 HIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587927319 PCTYWVXOQNDGLI-INIZCTEOSA-N 419.485 4.181 0 1 HIAF COC(=O)c1ccnc2[nH]c(-c3cccc(-c4ccc(OC)cc4OC)c3C)nc12 587930963 YBNUTSZSLHTXGY-UHFFFAOYSA-N 403.438 4.404 0 1 HIAF COc1cc2c(cc1OC)[C@](Cc1ccccc1)(c1c[nH]c(C(=O)O)c1)N(C)[C@H](C)C2 962561568 DHDSGLASKNZFDP-CPJLOUKISA-N 420.509 4.093 0 1 HIAF C[C@@]1(CCc2ccc(F)cc2F)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962622075 APZSDZYJSMKMAM-KXBFYZLASA-N 415.358 4.310 0 1 HIAF COC(=O)c1cc([C@]2(CCCC(=O)O)NCCc3cccc(-c4ccccc4)c32)c[nH]1 962666234 LKCDULXODFLTEG-VWLOTQADSA-N 418.493 4.113 0 1 HIAF CCOC(=O)c1cccc([C@H]2CCC[C@]3(C2)N[C@H](C(=O)O)Cc2cccc(F)c23)c1 962900401 QITQXBBWVKQKDS-VAXXYWNWSA-N 411.473 4.154 0 1 HIAF COc1cc(NC(=O)C[C@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc(OC)c1 963118643 GMGGLCOARJAHJN-FQEVSTJZSA-N 409.313 4.400 0 1 HIAF O=S(=O)(C[C@@]1(c2ccc(F)cc2)NCCc2cc(Cl)ccc21)c1ccccc1 963390032 DVFMICYZLYDBLT-QFIPXVFZSA-N 415.917 4.342 0 1 HIAF Nc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OCC(Cl)(Cl)Cl 1772640638 PNWYUIZUJAAWDO-UHFFFAOYSA-N 407.660 4.334 0 1 HIAF NC(=O)c1c(C(F)(F)F)cc(NCc2ccc(F)cc2)n2c1nc1ccccc12 1857544763 IJEDSMJSXNTVNK-UHFFFAOYSA-N 402.351 4.356 0 1 HIAF CC(C)(C)OC(=O)N1CCC(CCCCOc2ccc(S(C)(=O)=O)cc2)CC1 1857647616 CSTPQDCIIJPTIW-UHFFFAOYSA-N 411.564 4.286 0 1 HIAF CC1=C[C@H](CNC(=O)N2CCOCC2)[C@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356752466 RXZLOVVFNFNQRS-NJYVYQBISA-N 424.589 4.310 0 1 HIAF CCN(Cc1ccccc1)C(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 12197853 KZQWAXXREMOWPE-UHFFFAOYSA-N 406.526 4.129 0 3 HIAF CC(=O)Nc1ccc(NC(=O)[C@H]2Cc3c(-c4ccc(Cl)cc4)ccnc3O2)cc1 61903823 LWOXOZBYPIWJPV-HXUWFJFHSA-N 407.857 4.303 0 3 HIAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl 773591 KLMDZFIZLFWDBN-CQSZACIVSA-N 406.816 4.441 0 1 HIAF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4052587 TWVOIYWZHGWKKM-JTHBVZDNSA-N 402.494 4.066 0 1 HIAF NC(=O)C1(NC(=O)CCCSc2ccc(Cl)c(Cl)c2)Cc2ccccc2C1 26386628 NEEDVTDCSPNLLM-UHFFFAOYSA-N 423.365 4.005 0 1 HIAF O=C(O)c1ccccc1-c1ccccc1C(=O)NCCc1c[nH]c2ccc(O)cc12 26579852 DMTDZGIWITWYOE-UHFFFAOYSA-N 400.434 4.211 0 1 HIAF CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(F)cc1Cl 40881300 UOCDLBUTXSBARO-UHFFFAOYSA-N 406.866 4.218 0 1 HIAF COCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(C)nccn23)n1 63540190 IILNBGZKSQQREW-UHFFFAOYSA-N 420.492 4.385 0 1 HIAF Cc1oc(-c2ccccc2)nc1Cc1ccc(C[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 101135715 BFONRZDNBBIVBS-OGAOHHHESA-N 407.466 4.247 0 1 HIAF COC(=O)C1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 138984974 DYYQZFYPGAOIDP-UHFFFAOYSA-N 404.470 4.402 0 1 HIAF COc1ccc(-c2nc3cc(O)c(C(=O)O)cc3nc2-c2ccc(OC)cc2)cc1 144518593 SXSJFIMSZUMBQS-UHFFFAOYSA-N 402.406 4.385 0 1 HIAF CN1C(=O)N(c2ccc(Nc3n[nH]c4cccnc34)cc2Cl)C(=O)[C@@H]1C(C)(C)C 166886692 GMAIHWNDASSSEY-MRXNPFEDSA-N 412.881 4.168 0 1 HIAF COc1ccccc1CN1CCN([C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 169326385 ZFZCYZQMZHCUPD-FTJBHMTQSA-N 402.538 4.288 0 1 HIAF O=S(=O)(c1ccccc1)[C@@H]1C[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 169362984 CFDCTBOVDXIEET-IMSXRSKXSA-N 420.486 4.022 0 1 HIAF Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)c(F)c3)cc2)c(C)c1CC(=O)O 169704016 KWSRPPRFNOOJJP-UHFFFAOYSA-N 415.852 4.220 0 1 HIAF COc1cc2ncnc(Nc3ccc(NC(=O)c4cccc(O)c4)cc3)c2cc1OC 211357622 ZRUKEUDBPAFENN-UHFFFAOYSA-N 416.437 4.349 0 1 HIAF Cc1nc2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2cc1Br 587019181 JQHBCGFASBSFGZ-UHFFFAOYSA-N 424.324 4.423 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587338731 RHGDFRCQIPJHIX-SELNLUPBSA-N 413.445 4.316 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(Cc3cccnc3)CC2)[C@@H]1c1ccc(F)cc1 587348478 XOMRRVOWRAMVGC-HSZRJFAPSA-N 418.468 4.320 0 1 HIAF CCOC(=O)c1cc2c(nc1O)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587527783 UUWGJZZHNOGBHR-XMMPIXPASA-N 407.466 4.040 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580637 TVZJTPFQFUZVQM-PMAPCBKXSA-N 411.454 4.170 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3cncc(Cl)n3)c(=O)c3ccccc23)c(O)c1 587664881 FWLPGJDRHVITAH-UHFFFAOYSA-N 421.888 4.048 0 1 HIAF CCOC(=O)CC[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587767955 BWUSWKXZBMLQRA-ZUOKHONESA-N 421.310 4.104 0 1 HIAF CCOC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587794675 PJAFHXBGXANQTH-MPBGBICISA-N 422.294 4.154 0 1 HIAF COc1cc(OC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587804035 ABRJGZGOZSZXPE-GIGQVBGESA-N 410.283 4.238 0 1 HIAF COc1ccc2occ([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587836984 CRJGGAAWKRXKHS-OVWNDWIMSA-N 418.262 4.327 0 1 HIAF COc1cccc2c(N(C)Cc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 653797786 KDRNVVZIVJTBRK-UHFFFAOYSA-N 410.481 4.196 0 1 HIAF Cn1cc2c(-c3cc(F)c(CN4CCc5ncccc5C4=O)c(F)c3)cccc2n1 653864031 IRICKCQWXSQVCK-UHFFFAOYSA-N 404.420 4.112 0 1 HIAF CC[C@@]1(CSC)c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962621208 CEEXCVDVBOXHOU-LAUBAEHRSA-N 407.532 4.104 0 1 HIAF COc1ccccc1[C@@]1(C2CCC2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957354 BNOIQFNINPMWKK-HRAATJIYSA-N 407.844 4.269 0 1 HIAF C[C@@]1(c2cc[nH]c3nccc2-3)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963187519 VDFURXGRUZQFHD-YJBOKZPZSA-N 409.795 4.049 0 1 HIAF O=C(O)CCCC[C@]1(c2ccccc2Br)NCCc2ccc(O)cc21 963329333 MBCPEUKCWXEUPN-HXUWFJFHSA-N 404.304 4.189 0 1 HIAF COc1cccc2c1OCC(C(=O)N1CCC[C@H]1c1ncc(-c3ccccc3)[nH]1)=C2 1772579027 REUITBUIHUKXEL-FQEVSTJZSA-N 401.466 4.225 0 1 HIAF Cn1c(NCCc2ccc(-n3cc(Cl)cn3)cc2)nc2cc(Cl)ccc2c1=O 1772631915 QTWHTIMPSKTVFV-UHFFFAOYSA-N 414.296 4.081 0 1 HIAF Cc1c([C@H](C)[C@H](C)O)cc(O)c([C@@H]2O[C@H](C)[C@H](C)c3c(C)c(O)cc(O)c32)c1O 2356663281 ZYNVVEVIXKFNEJ-NBYDKKDYSA-N 402.487 4.222 0 1 HIAF CN1[C@H](C(=O)NCc2ccccc2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 13660691 QRAQLPHQVSZGDI-ZNZDAUKMSA-N 415.324 4.035 0 3 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1ccc(F)cc1 770558 VWBKPQDPJVWQRS-GMAHTHKFSA-N 422.456 4.268 0 1 HIAF COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H]1CCCC[C@H]1O 775030 LROLYOMONVFRGO-ZWKOTPCHSA-N 410.445 4.190 0 1 HIAF O=C(NCc1cccs1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2 3042056 WEURFHXSHUYFJI-UHFFFAOYSA-N 412.511 4.456 0 1 HIAF Cc1n(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1Cc1ccccc1 13651148 RWZMXMZZYRLIFO-SANMLTNESA-N 423.536 4.434 0 1 HIAF O=C(c1ccncc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc3ccccc3c2)c1=O 25412292 URUYDHDCLYJDOG-JPYJTQIMSA-N 421.500 4.323 0 1 HIAF biogenic CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1c[nH]c2ccccc12 26947751 MMUYOJURFQMFAB-FQEVSTJZSA-N 412.530 4.030 0 1 HIAF CC(=O)Oc1ccccc1C(=O)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 27980501 TXWIRAWIIFGLQN-UHFFFAOYSA-N 416.385 4.310 0 1 HIAF COc1ccc([C@@H]2C=CCN(C(=O)C3CC3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 36388453 XAPQFFOIGCFEJL-HXOBKFHXSA-N 422.500 4.101 0 1 HIAF O=C(Cc1ccccc1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1 40897142 LKWMXBVVUJGXGW-AZGAKELHSA-N 400.566 4.429 0 1 HIAF CC(C)(C)c1cccc([C@H]2CNC[C@@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49046800 HNAXCRUIEUANFZ-MOPGFXCFSA-N 423.944 4.421 0 1 HIAF COc1ccc2cc3[n+](cc2c1OC(=O)C(C)(C)C)CCc1cc2c(cc1-3)OCO2 58590565 ADZFVKPMTQBRMN-UHFFFAOYSA-N 406.458 4.039 0 1 HIAF CC(C)(C)CCNCc1ccc(-c2cnccc2S(=O)(=O)N2CCCC2)cc1 72114940 UDQJVHLINXSMGB-UHFFFAOYSA-N 401.576 4.059 0 1 HIAF COCCn1c(-c2ccoc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82178875 UAXYQMLLUVNEIK-UHFFFAOYSA-N 417.391 4.364 0 1 HIAF COc1ccc(-c2csc3c(-c4ccc(S(C)(=O)=O)cc4)cnc(N)c23)cn1 103252827 NDZFWROBPHOUOX-UHFFFAOYSA-N 411.508 4.020 0 1 HIAF CC[C@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@H]1c1ccccc1 169345785 LBSXDTWIFKMNQR-ABAIWWIYSA-N 403.269 4.440 0 1 HIAF CC(C)COc1ccc(-c2ccc3c(c2)C(=O)N(Cc2ncccn2)CCO3)cc1 206205588 DKYMPJAAEUKBHU-UHFFFAOYSA-N 403.482 4.213 0 1 HIAF CCCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261137748 MLKJSRUZFXLXTL-KESTWPANSA-N 400.563 4.460 0 1 HIAF Cc1nn2c(COCc3cn(C(C)C)nn3)c(-c3ccc(Cl)cc3)nc2s1 473247543 FLTWZQZYXUPPHL-UHFFFAOYSA-N 402.911 4.309 0 1 HIAF CCOC(=O)[C@@H](c1cccnc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987772 FSSCISXSMCYYFB-NRFANRHFSA-N 410.429 4.242 0 1 HIAF O=C(Nc1nc(Cc2nc3cncc(Br)c3[nH]2)cs1)c1cccs1 587019073 FOCIFJQRHHKKKR-UHFFFAOYSA-N 420.317 4.082 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587048521 HZOHZHMKVTXGMQ-WDEREUQCSA-N 410.326 4.391 0 1 HIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(O)c1 587240028 FHYYMMMSQNFQDJ-UHFFFAOYSA-N 415.449 4.196 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(Cl)c(N)cc21 587380543 WDBLQWLTLHJNDE-HSZRJFAPSA-N 404.853 4.266 0 1 HIAF CC1=C[C@]2(CC(=O)N1Cc1ccco1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587579845 AAYQFIBQTJROGM-ZJSXRUAMSA-N 417.417 4.022 0 1 HIAF COC(=O)c1oc2c(c1C)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587618955 VPYUQUBWPBTLPV-NTKDMRAZSA-N 420.417 4.274 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCC(=O)O)cc2)N1 587796518 TZZLAZCFNOCRSW-YUNKPMOVSA-N 422.294 4.239 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)cs2)N1 587853049 OQLMCZGMBLDFLE-INWYIAFRSA-N 406.118 4.431 0 1 HIAF COc1ccccc1-c1ccc2c(c1)CC[C@H](CN(C)C)[C@@]2(O)c1cccc(O)c1 653816965 HTAYRDXHIXFQRU-RLWLMLJZSA-N 403.522 4.428 0 1 HIAF O=C(O)CN1C=C[C@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(F)ccc21 962659345 FVSAZIKKHPZPDG-VWLOTQADSA-N 400.453 4.300 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1c(-c3ccc(F)cc3)nc3ccccn13)NCC2 962930566 YQMPKBXQFFKYSJ-HSZRJFAPSA-N 414.484 4.077 0 1 HIAF COC(=O)c1cc([C@@]2(c3ccc(F)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c[nH]1 963115497 VOTWWFNTBFIADI-YKSBVNFPSA-N 408.448 4.392 0 1 HIAF CC(C)(C[C@@]1(c2ccc3ccccc3c2)NCCc2c(C(=O)O)cccc21)C(=O)O 963132431 PVNFLDOHRSZFNS-VWLOTQADSA-N 403.478 4.428 0 1 HIAF Sc1nnc(Cn2c(-c3ccccc3)nc3ccccc32)n1CCN1CCCCC1 1857589361 CFVPLPHKCOTDNF-UHFFFAOYSA-N 418.570 4.118 0 1 HIAF NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccs3)n2-c2ccccc2)cc1 1857764551 FRVIHPRXADRXCS-VZCXRCSSSA-N 413.549 4.147 0 1 HIAF COc1ccc(CN2CC[C@@H](CC(=O)O)[C@H](Cc3nc4ccc(C)cc4[nH]3)C2)cc1 2356305967 WXRJBKLJDDXSAQ-RBUKOAKNSA-N 407.514 4.035 0 1 HIAF COc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 61929840 UYKJYEKLKOPKFP-XMMPIXPASA-N 410.514 4.245 0 3 HIAF CC1=C(C(=O)Nc2ccc(Cl)cc2C(=O)NCCc2cccs2)SCCO1 9115190 FWUDIQCZVKIDLX-UHFFFAOYSA-N 422.959 4.307 0 1 HIAF Cc1nc(CC(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccc(F)c(C)c4)c3O2)cs1 12048756 UTKQLHFPBKSEEE-SFHVURJKSA-N 414.477 4.368 0 1 HIAF Cc1ccc(S(=O)(=O)N[C@@H](CN[C@@H](C)c2ccccc2)Cc2ccccc2)cc1 26151989 TYVDSYMCSNUDHM-NZQKXSOJSA-N 408.567 4.235 0 1 HIAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1O[C@@H]1CCOC1 26379745 CCNKVJUYQNQLPA-LLVKDONJSA-N 406.269 4.099 0 1 HIAF CC[C@H](C)CNC(=O)c1ccnc(-c2cccc(CN(C)C3CCN(C)CC3)c2)c1 45334936 LRFCGWUWVOAFBC-IBGZPJMESA-N 408.590 4.051 0 1 HIAF CC(C)(C)c1ccc(CC(CN)(Cc2ccc(C(C)(C)C)cc2)C(=O)NCCN)cc1 66076421 FZMQLLQKBXBGKW-UHFFFAOYSA-N 423.645 4.087 0 1 HIAF O=C(N[C@@H](c1cnc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnccc2c1 72177658 SFUDYIVRGZHMST-LJQANCHMSA-N 415.324 4.407 0 1 HIAF COc1ccc([C@H]2Nn3c(nnc3-c3cc(OC)ccc3Br)S2)cc1 73294561 OYLLLUYYVNWVAQ-INIZCTEOSA-N 419.304 4.073 0 1 HIAF Cc1[nH]ncc1-c1cc2c(s1)C(=O)NC1(CCC(O)(C3CCCCC3)CC1)N2 114220240 JEMZAKZZKHRMHZ-UHFFFAOYSA-N 400.548 4.184 0 1 HIAF Cc1c([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cnn1-c1ccccc1 142150104 OEHBRBWELIGUEC-HNAYVOBHSA-N 406.490 4.125 0 1 HIAF Fc1ccc2sc(N[C@H]3C[C@H](Oc4nccnc4C4CCOCC4)C3)nc2c1 146943096 TXGAWYPDMPNVQN-GASCZTMLSA-N 400.479 4.141 0 1 HIAF COc1cncc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2nccs2)c1 167405040 SYHFZDXFDUPCKC-KRWDZBQOSA-N 409.511 4.476 0 1 HIAF O=C(CCCc1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168461891 WBANDHKIMUZCAN-UHFFFAOYSA-N 401.510 4.201 0 1 HIAF O=C(O)C[C@H]1CCC2(CCN(c3cc(OC(F)(F)F)ccc3Cl)CC2)OC1 209048590 DIZADOFRCFKNSD-GFCCVEGCSA-N 407.816 4.479 0 1 HIAF C[C@H](CCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 263614357 HSLYPVWJYLQYET-JXDTVZCFSA-N 402.572 4.404 0 1 HIAF in-vitro O=C(O)c1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1F 586921737 MBWKGTBMNFZQKG-UHFFFAOYSA-N 410.426 4.041 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cc(F)c2[nH]1 586939202 YYJLHLSUMAVTQK-INIZCTEOSA-N 421.563 4.400 0 1 HIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(C)c(Br)cnc2[nH]1 586972199 DZGAXNWDBWGENM-OAHLLOKOSA-N 419.348 4.139 0 1 HIAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(cnc3ccccc32)[nH]1 587001187 WWGIPCAUVJVEIV-UHFFFAOYSA-N 408.211 4.353 0 1 HIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587092990 CJUFBWMLXVRARG-RXMQYKEDSA-N 418.135 4.474 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COCC(F)(F)F)c1)[C@@H](C2)C3=O 587420517 KTFDWIPPJSLEIS-MGPUTAFESA-N 408.372 4.271 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4cccnc4)c1)[C@@H](C2)C3=O 587436859 UYAHMZACUAIHPA-MHECFPHRSA-N 403.434 4.167 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(O[C@@H](C(=O)O)c4ccccc4)cc1)[C@@H](C2)C3=O 587441152 ROTBLMFIBJUKGO-WUMKDDEVSA-N 416.429 4.389 0 1 HIAF CC(C)(C)OC(=O)N1CC(O[C@H]2CC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 587516712 FBTUCBNTJOUSER-RDPSFJRHSA-N 413.514 4.068 0 1 HIAF C[C@]1(Cc2nc(-c3ccccc3)no2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586647 KZYJVOZNECIRMD-GBXCKJPGSA-N 414.417 4.405 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(CN2CCOCC2)CCCCC1 587591509 FQAYTPZJRIIQLW-ZJSXRUAMSA-N 423.509 4.005 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2-n2cncn2)N1 587699307 SBYRUHVBPPVJSD-MLCYQJTMSA-N 421.701 4.446 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ncccn2)N1 587737643 ZFLABRCXZVAGLW-ODXCJYRJSA-N 416.269 4.343 0 1 HIAF COc1ccc([C@]2(CCN(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587738734 CJBQBFOAFPLMIJ-QKKBWIMNSA-N 421.354 4.326 0 1 HIAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O 587809855 VNLQZAGVTOQTHF-APBUJDDRSA-N 408.267 4.146 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(Cl)s2)N1 587849617 UMXAUXKYDIXUJT-ZIDLFYJRSA-N 404.688 4.166 0 1 HIAF CC(=O)NCc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587849664 VAIIRTCAWTURLC-XTZNXHDOSA-N 411.340 4.084 0 1 HIAF COc1cccc(-c2ccc3c(c2)CC[C@H](CN(C)C)[C@@]3(O)c2cccc(O)c2)c1 653816962 GYSSGTZCIGFAQC-GJZUVCINSA-N 403.522 4.428 0 1 HIAF CN(C)C[C@@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963776 ZCRUBDQVNAUECU-QFIPXVFZSA-N 404.476 4.162 0 1 HIAF OCc1ccc(-c2cc(CNCC3CCNCC3)sc2-c2ccc(CO)cc2)cc1 1857612505 USNAMLXVPDFJAF-UHFFFAOYSA-N 422.594 4.156 0 1 HIAF CCc1ccc2nc(O)c(CN(CCN(C)C)C(=O)Nc3ccccc3OC)cc2c1 8586298 SVNJTFZQADUKBH-UHFFFAOYSA-N 422.529 4.107 0 3 HIAF COc1cc(C)ccc1OCc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)no1 11766376 AGWMKLWWPMGOAS-KRWDZBQOSA-N 410.445 4.339 0 3 HIAF COc1cc(OC)c([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(OC)c1 14648238 LKUWYFZLCAUAGB-FQEVSTJZSA-N 414.454 4.339 0 1 HIAF endogenous,in-man COc1ccc(CC(=O)c2ccc3c(-c4ccc(OCC(=O)O)cc4)nocc2-3)cc1 28569271 GRJOWZXZFISJIA-UHFFFAOYSA-N 417.417 4.344 0 1 HIAF CCC(=O)[C@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@@H]1N2C 36271278 RDOXVARXZHCHTF-LVRJZDEYSA-N 417.718 4.490 0 1 HIAF CN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6cccc(N)c6)ccc45)nc23)CC1 40936291 UAXFZSPPERCTJU-UHFFFAOYSA-N 423.524 4.107 0 1 HIAF COc1cc([C@@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc(O)c1OC 72179896 VDZKDMJORWVROZ-IIBDXVJDSA-N 402.443 4.232 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OC)co2)cc1 82073350 ZZCGJNKNGCEVFW-IBGZPJMESA-N 400.475 4.078 0 1 HIAF CCCc1nc2c(NCCc3cccc(F)c3)ncnc2n1CC[C@@H]1CCCN1C 82179707 ZJPQNPOBIGOMSQ-IBGZPJMESA-N 410.541 4.057 0 1 HIAF CN(C)Cc1cccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)c1 103294160 USVGUZMPKPIFFV-MOPGFXCFSA-N 417.538 4.490 0 1 HIAF COc1cc(Cn2cc(O)n(-c3ccccc3Cl)c2=S)cc(OC)c1OC 169691897 IVCXDKINXIVSAY-UHFFFAOYSA-N 406.891 4.441 0 1 HIAF C[C@@H]1CC[C@H]2[C@H](CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C(=O)O[C@]23[C@H]1CC[C@@]1(C)O[C@H]13 299884260 STFFSDASJHIJJV-CTVAFEBHSA-N 401.591 4.412 0 1 HIAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586951676 ULDXXCFQKINZIG-UHFFFAOYSA-N 410.830 4.039 0 1 HIAF CCCOc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br 586961771 LSAZQEKNPWFTTK-QMMMGPOBSA-N 424.324 4.045 0 1 HIAF CCS(=O)(=O)c1ccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2c1 586976864 HWVFMCGWIRQOHO-UITAMQMPSA-N 421.316 4.298 0 1 HIAF Fc1c(Br)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005832 VNIWZRZPXPZMRN-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF Cc1cccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 587108117 HLCWWKUWONCXIR-OAHLLOKOSA-N 409.433 4.416 0 1 HIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc2N1 587126548 YCZVKQGRICVDMC-PSLIRLAXSA-N 405.359 4.059 0 1 HIAF Cc1ccc(C)c2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 587169708 IFJHOIJGGALOKO-OAQYLSRUSA-N 409.486 4.387 0 1 HIAF Fc1ccc(I)cc1-c1nc2cc(Br)ncc2[nH]1 587182007 BLAMOHSNWWRIIC-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF C[C@]1(c2cccc3nc(N)oc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333950 JFPWXKYUUNLUBV-AUSIDOKSSA-N 404.397 4.529 0 1 HIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1OC 587338182 QWROLZHZANFVLY-HYBUGGRVSA-N 423.440 4.405 0 1 HIAF CCOC(=O)C[C@]1(C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587500439 OYZLJTRAZWEXJG-KRWDZBQOSA-N 406.347 4.420 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(Cl)cc2)nn1 587551971 LVNFORAUUDRZGP-DENIHFKCSA-N 419.824 4.329 0 1 HIAF Cn1nc(C(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587554785 JHYWORCRUXIZAI-DYVFJYSZSA-N 406.772 4.420 0 1 HIAF C[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581283 GTNOPRNDOSODPG-CGROQTEOSA-N 411.454 4.122 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2Br)N1 587684616 ZFLWYKKDCLMARY-CLAHSXSESA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2ccnc2)(c2ccc(F)cc2)N1 587729767 DJMNICNATCMTEW-RBZFPXEDSA-N 418.285 4.402 0 1 HIAF CCS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587850619 QUGUSVXCDGCCIR-ZMZPIMSZSA-N 412.324 4.005 0 1 HIAF CCOC(=O)[C@@H]1CCSCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587856035 HSQIBMWEVVLYNN-YNKQFZHNSA-N 416.356 4.024 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc2c(c1)CCC2 587867520 HQMDZFFBZCHYLE-UHFFFAOYSA-N 417.387 4.180 0 1 HIAF COc1ccc(-c2ccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c(O)c2)cc1OC 587928063 XWGSYLVNWJAEFJ-OAQYLSRUSA-N 404.426 4.343 0 1 HIAF O=C(Nc1cc(CN2CCCCC2)ccn1)Nc1cccc2c1[C@H]1CCCCN1C2=O 653739298 XBIUKPXUYROLSP-HXUWFJFHSA-N 419.529 4.392 0 1 HIAF COc1ccc2[nH]cc(CCNC(=O)CC3CCN(Cc4cccc(C)c4)CC3)c2c1 653864052 NQRYVGBVQHMKOV-UHFFFAOYSA-N 419.569 4.446 0 1 HIAF Cc1ccccc1-n1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962699503 ORQLNWDPDKPHPG-HKUYNNGSSA-N 419.378 4.027 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc4cccc(Br)c4n3)c3cccc1c32 963015860 BIPBJYKCFLKLRT-LRTDBIEQSA-N 408.299 4.140 0 1 HIAF CC1(O)CC(NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772597254 YDBOOYIKXCPPPM-UHFFFAOYSA-N 417.387 4.084 0 1 HIAF C[C@@H](C[C@H]1CCCCN1)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772599824 MXNQCNJVMWIZPS-LZLYRXPVSA-N 421.549 4.173 0 1 HIAF Cc1nc2c(N3CCOCC3)ncnc2n1Cc1ccc(-c2ccccc2Cl)cc1 1772644350 LXEAGQVPBQZDJP-UHFFFAOYSA-N 419.916 4.340 0 1 HIAF COc1ccc(-c2noc(C(=O)O)c2[C@H](C)NC(=O)c2nc3ccccc3s2)cc1 2356299324 GGTMWWBMSNLAIU-NSHDSACASA-N 423.450 4.149 0 1 HIAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)[C@H]2[C@@](O)(C(C)C)CC[C@]21C 2356331970 XGDKDBPCTUJBNO-PKSYHSAXSA-N 416.514 4.003 0 1 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 767846 UUPBEXZRCLLWAS-UNMCSNQZSA-N 423.875 4.470 0 1 HIAF Nc1nc(N)c2nc(Cc3ccc(Cl)cc3)c(Cc3ccc(Cl)cc3)nc2n1 5974121 SRSPREXFDZFYCH-UHFFFAOYSA-N 411.296 4.073 0 1 HIAF COC(=O)N1C(c2ccccc2)=Cc2ccccc2[C@H]1[C@]1(C(=O)OC)CCCC1=O 8682189 LLDBEKZQWUMNCM-URXFXBBRSA-N 405.450 4.220 0 1 HIAF O=C(O)CCCCCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13730302 OKWYADKRDVGHRG-GOSISDBHSA-N 410.923 4.180 0 1 HIAF CCNC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=N[C@H]1CCC(=O)OC 13860471 CMTPOUIUNLRIKT-SFHVURJKSA-N 401.869 4.291 0 1 HIAF CC(C)CNCCCCNCC1CCN(C(=O)Cc2cccc3ccccc23)CC1 26579850 LRYLPWSPRBLZLM-UHFFFAOYSA-N 409.618 4.236 0 1 HIAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1cc(C)c(=O)c(C)c1)C(F)(F)F 34802052 JTIJBQLFJJJIJO-FQEVSTJZSA-N 415.427 4.274 0 1 HIAF O=C(C1=NC[C@H](c2c[nH]c3c(Br)cccc23)N1)c1c[nH]c2ccccc12 40940095 YMWBNLURFIIJPC-QGZVFWFLSA-N 407.271 4.337 0 1 HIAF CCOc1cc(CN2CCC[C@@H](NC(=O)c3cncc(C)c3)CC2)ccc1Cl 58487482 QYPIBWMLKDIVCA-LJQANCHMSA-N 401.938 4.227 0 1 HIAF CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1 82188726 JYXLBPPDXCPCGJ-LJQANCHMSA-N 406.578 4.480 0 1 HIAF Cc1ccc(S(=O)(=O)N[C@@H](/C(=C/c2cccs2)[N+](=O)[O-])c2ccccc2)cc1 84669545 CICAJIUPOMSBIU-GRTQGXPSSA-N 414.508 4.394 0 1 HIAF Cc1cccc2cc([C@@H](C)Nc3nc(Cl)ncc3N)n(-c3ccccc3)c(=O)c12 88346043 GWCREWHOURAZGN-CQSZACIVSA-N 405.889 4.498 0 1 HIAF O=C1CC2(CCCC2)Oc2cc(OC[C@@H](O)CNc3ccccc3Cl)ccc21 95586188 ACHOZJAPWJAQAX-HNNXBMFYSA-N 401.890 4.470 0 1 HIAF CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2ccc(Br)cc2)C1 96917465 QWRKYIXRYLASQF-UHFFFAOYSA-N 405.340 4.401 0 1 HIAF CC(=O)N(C(=O)N=[S@](=O)(c1ccc(C)cc1)N(C)C(C)=O)c1ccc(Cl)cc1 100754398 OIDWVSWKRTVNBZ-MUUNZHRXSA-N 421.906 4.042 0 1 HIAF O=C(OCCF)[C@@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@@H]1N2CCCF 101012904 XXLBWUCJODELRH-XWTMOSNGSA-N 416.306 4.258 0 1 HIAF Cc1ccc([C@@H](C)N2C[C@H]3[C@H](NC(=O)[C@@](O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1 101118410 AUEHDRBMNXBWBT-RDKKGYDHSA-N 418.581 4.180 0 1 HIAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1=C[C@@H](N)CCC1 139467348 MLNODNXTIGLDGC-AWEZNQCLSA-N 421.451 4.151 0 1 HIAF Cc1ccc(-c2cc(NCC(=O)C3CC3)cc(C(=O)N[C@H](C)c3cnccn3)c2)cc1 143054968 DNLSMIJJWCYOEP-QGZVFWFLSA-N 414.509 4.334 0 1 HIAF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccc2ccccc2c1 169351557 AWCJAIAODQJOOF-ZPHCALJQSA-N 420.505 4.424 0 1 HIAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1cccc(C(F)(F)F)c1 203532401 ODVOAJCAFSXIAS-AZUAARDMSA-N 408.372 4.104 0 1 HIAF O=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1 205826761 OXLZSXPAMKADPP-YVLHZVERSA-N 406.829 4.123 0 1 HIAF [O-][n+]1ccccc1SCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586970348 XLPHYELHWLHPAZ-UHFFFAOYSA-N 404.211 4.270 0 1 HIAF COc1cncc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587030773 ICONSJALFARQPM-BNDQCTAISA-N 401.517 4.093 0 1 HIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2C1 587032254 RBTYQGMHPFPDNV-KRWDZBQOSA-N 413.503 4.308 0 1 HIAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 587106460 CRGASKVVPDBVJA-HNNXBMFYSA-N 413.396 4.247 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(C(=O)O)c4[nH]3)cc2F)c1 587143542 HXVWAVFETAXCKF-UHFFFAOYSA-N 406.369 4.441 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 587168165 UEGZLALSPNXDTE-LBPRGKRZSA-N 422.233 4.368 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2nccc(Cl)c2[nH]1 587181006 LAICQHCCYRMXAM-ZETCQYMHSA-N 401.639 4.050 0 1 HIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(O)c1 587240396 JKRPSOUYVQZKGI-JOCHJYFZSA-N 415.453 4.149 0 1 HIAF C=CC(=O)Nc1ccc(-c2nc3c(Br)cc(C(=O)OCC)cc3[nH]2)cc1 587245035 VRPHERSSPHXNAG-UHFFFAOYSA-N 414.259 4.294 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346383 MGGFXBCMDPMUDR-HYBUGGRVSA-N 421.424 4.457 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCOc3cc4c(cc32)OCO4)[C@@H]1c1ccc(F)cc1 587360084 UIIDHIXLRUSZPA-VWNXMTODSA-N 420.392 4.297 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCC(F)(F)F)nc1 587551378 ZZANEWKVAWZTDS-YLJYHZDGSA-N 417.339 4.431 0 1 HIAF CCOC(=O)CCOCCCOCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587566292 FIHKMWDPSWBANP-UHFFFAOYSA-N 420.453 4.094 0 1 HIAF CCOC(=O)[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594707 HPCLTCWOAAVJHY-PXDATVDWSA-N 418.445 4.289 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCOCC3)c2)N1 587774475 ODJKTHFUNWNRRH-QKKBWIMNSA-N 419.338 4.223 0 1 HIAF CCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587797610 WJWVETWQXWLLIO-MPBGBICISA-N 408.311 4.493 0 1 HIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(O)c1OC 587805284 FKNAELBROAJTFW-APBUJDDRSA-N 410.283 4.109 0 1 HIAF CCS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587850616 QUGUSVXCDGCCIR-ADLMAVQZSA-N 412.324 4.005 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)Nc1ccc(C)c(C)c1 587862403 MSJWJZKFFMHSQX-UHFFFAOYSA-N 417.387 4.473 0 1 HIAF Cn1cnnc1Sc1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)o1 962723097 ZXTQFTPENSRUAX-YJYMSZOUSA-N 416.547 4.151 0 1 HIAF COc1cccc2cc3c(nc12)[C@@]1(NCC3)C(Cl)=CN(C)C(Br)=C1F 963062990 YTGMFSWDFJTVGZ-GOSISDBHSA-N 424.701 4.144 0 1 HIAF COc1cccc2cc3c(nc12)[C@@H](c1nc2cccc(Br)c2o1)NCC3 963067156 NZNQPMIKQSBUKY-SFHVURJKSA-N 410.271 4.382 0 1 HIAF CC1(C)Cc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C(C)(C)N1 1772600328 YXAHIQOMDIPDGJ-UHFFFAOYSA-N 406.939 4.304 0 1 HIAF O=C(O)c1cc(NC(=O)c2ccncc2)cc(-c2ccc(C3CCNCC3)cc2)c1 1857613411 FJEFSXQLZKHOJS-UHFFFAOYSA-N 401.466 4.166 0 1 HIAF COc1cc(Cl)cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)c1 1857630805 AQAYRSYLCNRNGV-UHFFFAOYSA-N 408.907 4.244 0 1 HIAF CCCCOc1cccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)on2)c1 1857649131 PFDIGRGKUJMJQL-UHFFFAOYSA-N 402.397 4.477 0 1 HIAF CC[C@@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@@H](C(C)(C)O)C2 13379081 NSWHDVGYGYSKPN-CXAGYDPISA-N 422.477 4.469 0 1 HIAF biogenic CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(Cl)s4)cc23)CC1 13611776 IXFIZZJAUYTVFQ-UHFFFAOYSA-N 409.964 4.493 0 1 HIAF C[C@@H]1CCCC[C@H]1N(C)C1CCN(CCCNC(=O)/C=C/c2cccs2)CC1 20241372 JULDRBVVYBVBBQ-VTXMGJMISA-N 403.636 4.243 0 1 HIAF Brc1ccc(-c2nnc(CSc3nnc(-c4ccncc4)o3)o2)cc1 21142884 QTLNDZISXAASHT-UHFFFAOYSA-N 416.260 4.236 0 1 HIAF CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Cc4ccccc4)CC3)n2)c1 72107986 XJKUYLDLJGZJDM-UHFFFAOYSA-N 402.502 4.033 0 1 HIAF COc1cc(CNCc2coc(-c3ccc(Br)cc3)n2)cc(OC)c1 72185734 KRSCEQRGUOXYOZ-UHFFFAOYSA-N 403.276 4.411 0 1 HIAF O=c1[nH]c2ccc(N3CCc4ccccc4C3)nc2nc1CSCc1ccccc1 82232163 ZYJCYSRNBPVFDX-UHFFFAOYSA-N 414.534 4.314 0 1 HIAF CCOC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)OC)c1ccccc1Cl)C2 84724770 AHODTGKARGSFPY-KRWDZBQOSA-N 409.891 4.209 0 1 HIAF Nc1n[nH]c2nc(Nc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)ncc12 84731629 CMZDJOPDAAAGNZ-UHFFFAOYSA-N 412.816 4.115 0 1 HIAF O=C(Nc1cccc(Br)n1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 95573983 BIDYUGXUCHBVIV-ZDUSSCGKSA-N 401.264 4.169 0 1 HIAF CNc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 95592786 XFENZAWQSSSCNV-IUODEOHRSA-N 418.526 4.395 0 1 HIAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1C1=C[C@@H](N)CCC1 96177754 AGRRECFYCKWARV-INIZCTEOSA-N 420.463 4.324 0 1 HIAF Cc1ccc(CSc2nnc(CSc3nc4nc(C)cc(C)n4n3)s2)cc1 96928629 OXEAHVLCZYNDPZ-UHFFFAOYSA-N 414.585 4.486 0 1 HIAF COC(=O)Nc1nc2cc(C(=O)c3cc([C@@H]([N+]#N)C(F)(F)F)cs3)ccc2[nH]1 100681183 DMTIRBVAOBIQJU-CYBMUJFWSA-O 410.357 4.490 0 1 HIAF COc1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)nc1 116825112 HMKUPSOTYRPXCT-IAGOWNOFSA-N 405.523 4.027 0 1 HIAF N#Cc1ccccc1-c1cc(C(=O)O)ccc1Nc1ccc([N+](=O)[O-])c2nonc12 219496888 LMHAFJMBIGKRRF-UHFFFAOYSA-N 401.338 4.111 0 1 HIAF C[C@](CO)(CCC[S@@](=O)CCC[C@@](C)(CO)c1ccccc1)c1ccccc1 299807217 JSOCMLGSQVOMQK-GPNILKFXSA-N 402.600 4.196 0 1 HIAF CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1)c1ccccc1 299885747 VYCKZVITPZGWLA-JTHBVZDNSA-N 403.482 4.014 0 1 HIAF Cc1cncc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 587007675 NBZVPENNTIIXPB-UHFFFAOYSA-N 411.259 4.465 0 1 HIAF O=C(CCc1nc2cc(Cl)cc(Cl)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024234 QJNUISWRGWDDRW-UHFFFAOYSA-N 419.297 4.355 0 1 HIAF CCCCOc1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2cc1Br 587128700 NDNACONTRMPDNX-UHFFFAOYSA-N 400.227 4.237 0 1 HIAF Cn1nc(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c(F)c1O 587156279 SGYIWJDHBIKJBV-UHFFFAOYSA-N 419.338 4.079 0 1 HIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(Br)cc2[nH]1 587260230 URTCPPIUENMQBM-HNNXBMFYSA-N 417.307 4.032 0 1 HIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O[C@H](C)C(=O)O 587374915 KKNXKTVCCZUWEQ-DIFFPNOSSA-N 419.861 4.188 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@H](C(=O)O)c4ccccc4)cc1)[C@@H](C2)C3=O 587441147 ROTBLMFIBJUKGO-IGKWTDBASA-N 416.429 4.389 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H]1CN(C)CCO1)CC2=O 587463831 YZLPYGAPSNGAIL-GGAORHGYSA-N 415.917 4.189 0 1 HIAF CN(C)CCCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571795 MEEJIEDUFPPDPV-RDGATRHJSA-N 419.477 4.426 0 1 HIAF CCc1ccc2c(c1)[C@]1(CC(=O)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587839390 SBCVLBXGSNRESJ-YBTHPKLGSA-N 404.279 4.238 0 1 HIAF CC(C)(C)[C@@]1(Cc2ccccn2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642721 QZQHASPUOSQSEM-PXNSSMCTSA-N 408.420 4.063 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@](CCC(=O)O)(c3ccc4ccccc4c3)c3cccc1c32 963014773 AHSZDTQZVZPBMN-IQGLISFBSA-N 400.478 4.002 0 1 HIAF CC(C)=CCN1CCC2(CC1)N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963177409 UZFCYPNSJVVLRF-QGZVFWFLSA-N 416.871 4.215 0 1 HIAF CC[C@@H](CO)c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(C)cc(C)nc1O)CC2 1772646879 JJVNTPVKPJMUOA-ZDUSSCGKSA-N 423.340 4.395 0 1 HIAF O=C(Cc1ccccc1)N1N=C(c2ccc(Cl)cc2Cl)C[C@@]1(O)C(F)(F)F 1857752910 GEINPVXLESUMHV-QGZVFWFLSA-N 417.214 4.423 0 1 HIAF CCC[C@H](CC)NC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3nc(C)c(O)c(C)c32)c1C 1857772220 VJEGOUCOCYFVAM-HEUOVEHFSA-N 410.518 4.150 0 1 HIAF CC(=Cc1csc(C)n1)[C@@H]1CC=CCCC[C@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1 2356512595 YQYQTGREIHNPDS-QHERXFFYSA-N 405.560 4.489 0 1 HIAF CC1(C)O[C@]2(CC3=CCC[C@]45C[C@]34[C@H](O[C@@H]5c3ccoc3)O2)C[C@H]1[C@@H]1C=CC(=O)O1 2356669601 HRRBKEHQHRGAFZ-AKKDIUGTSA-N 410.466 4.187 0 1 HIAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)Nc2ccc(F)cc2F)cc1 61926905 BQNMVAQRXKZDKB-QHCPKHFHSA-N 400.469 4.435 0 3 HIAF Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 758490 BROYPRZUMZTGCW-CTNGQTDRSA-N 422.525 4.018 0 1 HIAF CCOC(=O)O/C(=C1\C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 1492554 JWOKFZDZZGPKSU-YPKPFQOOSA-N 410.810 4.007 0 1 HIAF CCC(=O)Oc1c2c(c(COC(C)=O)c3c(C)coc13)[C@H](C)C[C@H](OC(C)=O)C2 13300447 RKEUCAIBENNROK-ABAIWWIYSA-N 402.443 4.101 0 1 HIAF biogenic CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C(C)=O)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26382457 DIISWROLLPLGMW-SHNLOOGUSA-N 416.606 4.251 0 1 HIAF COc1ccc(CCNc2cc(-c3ccc(CN4CCCC4)s3)nc(OC)n2)cc1 34642358 HOOOPNKRMSQQGO-UHFFFAOYSA-N 424.570 4.473 0 1 HIAF NS(=O)(=O)c1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1 34803737 NBRGHYDUKUTOFG-UHFFFAOYSA-N 412.511 4.365 0 1 HIAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)N(C)C)CC[C@@H]12 35079695 PXQYQGFWMDJDOI-KOLYYURTSA-N 407.576 4.002 0 1 HIAF CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCCO)c1ccccc1 36184677 LSPYJDKYIOCDAG-QFIPXVFZSA-N 401.457 4.162 0 1 HIAF Cn1c(-c2ccc(-c3cnc(=O)[nH]c3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71296997 CATBWTNVXOHMMB-UHFFFAOYSA-N 417.900 4.356 0 1 HIAF CCC(CC)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCNC(C)=O 82185265 YWYYWOZUCQGOLE-UHFFFAOYSA-N 414.941 4.132 0 1 HIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)N[C@@]21C 95605324 HPVSPXSDNBYBII-ZEZONBOOSA-N 403.563 4.194 0 1 HIAF CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)C3CCCC3)cc12 96273884 SEMFINVVJLHWGT-UHFFFAOYSA-N 419.481 4.339 0 1 HIAF C=C(C)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 167172865 FMRQQVSLNRYWDK-GOSISDBHSA-N 414.557 4.222 0 1 HIAF CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)cc21 169309884 UVDKNORLEFTOMX-LJAQVGFWSA-N 424.909 4.027 0 1 HIAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CCC1 169697234 NBWWBMWMDFWWPB-RVWIWJKTSA-N 412.574 4.460 0 1 HIAF CCCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C 218972232 IRGFZOISHZVQAW-DZRGJMJISA-N 412.574 4.014 0 1 HIAF Clc1ccc(NC[C@@H]2CCCNC2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12 220124056 ILDXSFMCMPKSRH-OAHLLOKOSA-N 424.980 4.157 0 1 HIAF Fc1c(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccnc1Nc1ccccc1 223672628 PMRUTNZSWNHEQJ-CQSZACIVSA-N 406.490 4.410 0 1 HIAF COC(=O)[C@H](N)C[C@@]1(C)C[C@H]2CC[C@H]1C[C@H]2C(C)(C)CCNC(=O)CCC(C)C 253660903 UASYBMLHVWZBST-YBZAYSDLSA-N 408.627 4.288 0 1 HIAF CC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586961161 PYVSGLUQIODCTP-HSQYWUDLSA-N 423.538 4.460 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587167457 NLUANPIKXBUOFZ-AWEZNQCLSA-N 404.348 4.393 0 1 HIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C2CC2)n1 587230633 VSKADCGBNODHAO-IBGZPJMESA-N 422.489 4.251 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(CNC(=O)OC(C)(C)C)nc1C)O2 587386794 KQAUCNVPDSUVIQ-HSZRJFAPSA-N 411.502 4.186 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(COc1ccc4c(C)c(C)c(=O)oc4c1C)[C@@H](C2)C3=O 587451616 IODNAWXHLJGVMR-BVZFJXPGSA-N 420.461 4.312 0 1 HIAF Cc1ccncc1[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584547 AYYKOBQTFWEDNN-DHLKQENFSA-N 410.429 4.396 0 1 HIAF C[C@H](O)[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610666 DFFWKKCADSOZOD-PJFOTGOESA-N 402.855 4.345 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(C(=O)O)N1 587693959 FRSJVQPCWNWLPN-MGNBDDOMSA-N 412.686 4.298 0 1 HIAF CC(C)OC(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587704694 JLELCMYJGVPXQU-PSLIRLAXSA-N 412.221 4.222 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]ccc2=NC(=O)C(C)(C)C)N1 587740768 FHYRMKIWXYVHHR-ZMZPIMSZSA-N 420.326 4.013 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3=O)cc2)N1 587770009 ZXGAUWORIVRWFI-FKIZINRSSA-N 403.295 4.339 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCC(=O)N3C)N1 587774556 OJBAETXMXVCLPH-LAJNKCICSA-N 417.322 4.295 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)OCc2ccccc2)N1 587803889 YEQYADGYQSPVOW-XCLFUZPHSA-N 406.295 4.471 0 1 HIAF COc1cc(OC)c2c(c1)OCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587831742 AAUWALJHLUPTGU-GIPWTMENSA-N 422.294 4.166 0 1 HIAF CNC[C@H](Cc1ccccc1)N1CCN(CCc2c[nH]c3ccccc23)[C@H](C(C)C)C1 653700706 JGDIQQZEFPTIFE-IGKIAQTJSA-N 418.629 4.183 0 1 HIAF CCSCC[C@@H]1c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962636255 VTBVTIXELNOFMN-MSOLQXFVSA-N 407.532 4.320 0 1 HIAF Brc1cnc2c([C@@H]3NCCc4cccc(-c5ccccc5)c43)cnn2c1 962660221 HOJDWIKFJOYFOB-FQEVSTJZSA-N 405.299 4.394 0 1 HIAF C[C@@H]1CC(=O)CC(C)(C)[C@@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963167230 DRVLTVJQMUYQCC-AHRODOEDSA-N 403.828 4.178 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccccc1)c1ccc(OC(C)=O)cc1 963636031 OEACLVIJRRNOFR-WGDIFIGCSA-N 417.505 4.455 0 1 HIAF O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c(Br)c1 1857751000 UNZJWHRBBRQDCO-UHFFFAOYSA-N 409.274 4.122 0 1 HIAF COc1ccc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 2356441494 VDHVMTAYSXIYTA-LPHOPBHVSA-N 423.410 4.329 0 1 HIAF COc1ccc(-c2cc(NC=O)c3ncc(-c4ccc(OC)c(OC)c4)n3c2)cc1 61896687 KSLGHTLCKVSWDQ-UHFFFAOYSA-N 403.438 4.262 0 3 HIAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4049034 IMFXGXVIAMNINI-LSQMVHIFSA-N 414.505 4.333 0 1 HIAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4051605 SWGYVGTXKHCPCJ-YDUONIPWSA-N 418.896 4.094 0 1 HIAF Cc1cc(-c2ccnc(-n3ncc(C(=O)N(C)Cc4nccs4)c3C)n2)c(C)s1 11978690 WCJPJYNTCDIKCV-UHFFFAOYSA-N 424.555 4.045 0 1 HIAF O=C(O)c1ccccc1C1=N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21 28241596 LTDNHHNREZBZMS-QFIPXVFZSA-N 409.445 4.267 0 1 HIAF COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)C[C@H](C)CC4)cc1OC 28949365 JJHBKPFRQSUBAZ-LLVKDONJSA-N 402.541 4.311 0 1 HIAF NCCCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 29038918 AMRDQRUICLPPTG-UHFFFAOYSA-N 413.614 4.148 0 1 HIAF CCC(CC)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 29483839 GFWKHLGNTRIBOR-IGRNSJNGSA-N 412.574 4.275 0 1 HIAF Cc1ccc2c(N3CCOCC3)c(Cc3ccccc3)c(N3CCCCC3)nc2n1 32037638 WLDCZDUCQKGFSM-UHFFFAOYSA-N 402.542 4.356 0 1 HIAF O=C1NCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)cc21 43194095 SCTHKCGXMXTKHG-UHFFFAOYSA-N 415.537 4.064 0 1 HIAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2cccnc12 58519986 GQQQIHYKIJIXIP-GOSISDBHSA-N 409.493 4.043 0 1 HIAF Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1Cc1ccccc1C2 66260119 MOJIYIRNBVHOJS-UHFFFAOYSA-N 413.518 4.018 0 1 HIAF COc1ccc(-c2nn3c(-c4cc(OC)ccc4Br)nnc3s2)cc1 73315497 OXHHBYAGJNAYKE-UHFFFAOYSA-N 417.288 4.300 0 1 HIAF COc1ccccc1-c1cc2c(Nc3cccc(NS(C)(=O)=O)c3)nccc2[nH]1 82081927 URIXSOXFSWOTMJ-UHFFFAOYSA-N 408.483 4.354 0 1 HIAF COc1cc2nc(N3CCSCC3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC 82125789 HKBYUJKIXHWGNE-MRXNPFEDSA-N 424.570 4.416 0 1 HIAF CSCC[C@H](Nc1nc(-c2cccc(F)c2)cs1)C(=O)NCC(F)(F)F 82195381 LYULYYZCTOCXMT-LBPRGKRZSA-N 407.458 4.161 0 1 HIAF C[C@@H](NC(=O)c1cc(-c2cncnc2)cnc1N)c1c(Cl)ccc(F)c1Cl 84688795 YOBQOXCHFBBKMF-SECBINFHSA-N 406.248 4.058 0 1 HIAF Cc1noc2c1-c1sc(C)c(C)c1C(c1ccc(Cl)cn1)=N[C@H]2CC(N)=O 96284455 HSJOABPTIKNZTD-ZDUSSCGKSA-N 400.891 4.144 0 1 HIAF O=C1NC(=S)[C@H](c2ccc(Br)cc2F)N1c1ccc2nc[nH]c2c1 113894406 CVLWWSXQLNSNGF-AWEZNQCLSA-N 405.252 4.063 0 1 HIAF CC(C)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1 143068920 XQYUBEDCTFABNP-UHFFFAOYSA-N 405.376 4.473 0 1 HIAF O[C@H](c1ccccc1)c1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 169307421 FHOSEIJBNAXYFY-GOSISDBHSA-N 407.495 4.164 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2CC)c1 169707280 YUZFFPHGEBRDGZ-FQEVSTJZSA-N 416.525 4.129 0 1 HIAF Cc1cc2c(cc1Oc1ncc(C(=O)NCCO)s1)CC[C@H](c1ccccc1C)O2 169710747 DWFBIOGFQZUQTR-GOSISDBHSA-N 424.522 4.341 0 1 HIAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(-c3ccc(Cl)s3)ccc1-2 209711220 LZXHBXHAACJBIV-HNNXBMFYSA-N 414.914 4.406 0 1 HIAF CC1=N[C@]2(N=C1N)c1cc(OCCCF)ccc1CC21CCC(OC(F)F)CC1 210595932 WOFHTRRBXQUHFJ-UJWQOHNOSA-N 409.452 4.134 0 1 HIAF CC(=O)CC1=C(C)C=C2C[C@H](C)C(=O)[C@H](C)[C@@H]2[C@@H]1/C=C(\C)[C@@H]1O[C@@]1(C)/C=C/C(=O)O 238752310 JXLMEPREHWJPBB-ODTVSVQQSA-N 412.526 4.444 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3c(C)nccc3[nH]1)C(=O)OC2 586916024 UOLFNWUUTBLVTO-XGICHPGQSA-N 407.470 4.081 0 1 HIAF CC(=O)N[C@@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)c1ccc(Br)cc1 586983922 APTZVBLDVVKZGP-INIZCTEOSA-N 415.335 4.438 0 1 HIAF Nc1ccc(-c2ccc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3c2)cc1N 587043027 XGSHIJAEBSMXJU-FGZHOGPDSA-N 401.539 4.341 0 1 HIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(Br)ncc2[nH]1 587120202 CEKZBWXPUYSCFS-UHFFFAOYSA-N 400.080 4.148 0 1 HIAF Cc1nc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2cc1Br 587127133 SANCHBYQPHDIMV-KGFZYKRKSA-N 415.217 4.200 0 1 HIAF Fc1cccc(Cn2nnc(-c3nc4cccc(Br)c4[nH]3)c2Cl)c1 587160614 DSRCKVDNDDLZPD-UHFFFAOYSA-N 406.646 4.425 0 1 HIAF CNc1cccc(-c2cccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)c1 587233675 VXXWNLWPYIXDLK-UHFFFAOYSA-N 406.511 4.189 0 1 HIAF Cc1ccc(Cl)c2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587552773 SKWQPLFJKOEQCN-JTSKRJEESA-N 407.809 4.163 0 1 HIAF C[C@]1(c2c(F)ccc(F)c2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558000 UKULSXOPYXIMDE-XMSQKQJNSA-N 412.344 4.246 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@H]1CCC2=O 587562251 TVEOVVSPPLMXMI-PVMMWASYSA-N 405.498 4.187 0 1 HIAF CC1(NC(=O)OC(C)(C)C)CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582185 YOVNOPGNTHXYIP-UIFUMHDPSA-N 411.454 4.170 0 1 HIAF CC[C@]1(c2ccc(C(=O)OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595346 RIMQZMTZFXVZDJ-GBXCKJPGSA-N 404.418 4.446 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614978 DZFJOURUHYDEPY-WMZHIEFXSA-N 406.390 4.185 0 1 HIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O 587744182 QYPRCBBQBWSDSW-BIBXISHDSA-N 421.310 4.353 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCNC(=O)OCc2ccccc2)N1 587756208 QJCBQLSLVCHPOB-GUYCJALGSA-N 421.310 4.480 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(C2CCOCC2)N1 587779348 RDJRYJOQCOYXCA-ZUOKHONESA-N 405.311 4.188 0 1 HIAF CC1=C(OC(=O)C(C)C)[C@@]2(C=CO1)N[C@H](C)Cc1ccc(F)c(Br)c12 587831600 IBGKERQAHHLLFS-WYRIXSBYSA-N 410.283 4.292 0 1 HIAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2sc(=O)oc12 587857696 UGGMTOTWKIHEES-BCTVWOGZSA-N 424.291 4.388 0 1 HIAF O=C(O)c1cccc(COc2ccccc2-c2ccn([C@H]3CCCC[C@@H]3O)c(=O)c2)c1 653699619 QJUGUENUCQCQDV-VXKWHMMOSA-N 419.477 4.269 0 1 HIAF Cc1ccnc2c1CCN[C@]21CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 963071325 QRHIBOUYYBYPEJ-YKSBVNFPSA-N 411.521 4.295 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCCC(F)F)ccc3C2)cc1 1772618331 HKGQZHLGAALOHX-INIZCTEOSA-N 402.485 4.476 0 1 HIAF O=C(N[C@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccc(F)cc2)cc1 1857610039 ILBZDMSQLIBNEM-HSZRJFAPSA-N 413.452 4.371 0 1 HIAF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(C(=O)C2CCCCC2)CC[C@]1(C)O 2356289715 YFLDLCOKQFBFCQ-VIZSFHNOSA-N 420.619 4.274 0 1 HIAF Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccccc1 4964604 NZCXQTPTQCGSTO-INIZCTEOSA-N 414.556 4.211 0 3 HIAF Cc1cccc(C(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)c(C(=O)O)c2)c1 8602098 GGBULCWSVZOWBV-UHFFFAOYSA-N 421.541 4.400 0 1 HIAF COc1cc(F)ccc1N1CCN(CC[C@@H](O)c2csc3ccccc23)CC1 13861811 YOPXVYHUZKYRHM-HXUWFJFHSA-N 400.519 4.295 0 1 HIAF CCCCc1ccc(OCCN2CCN(c3cc(Cl)nnc3Cl)CC2)cc1 34850200 GNDJQTNXPPRWDJ-UHFFFAOYSA-N 409.361 4.327 0 1 HIAF CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1 36160931 IZLQDYWGDKMSKH-UHFFFAOYSA-N 404.493 4.481 0 1 HIAF CC(=O)N1CCC[C@]1(Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccccc1 49087669 ZGAKVJHXDPZTOY-NRFANRHFSA-N 405.416 4.372 0 1 HIAF COc1cc2c(C(=O)O)cnc(C(=O)c3cc(OC(C)C)ccc3F)c2cc1OC 73195882 PZJIETQEHNYXCX-UHFFFAOYSA-N 413.401 4.108 0 1 HIAF CSCC[C@@H](Nc1nc(-c2ccc(C)c(C)c2)cs1)C(=O)NC[C@H]1CCCO1 82194503 VWEFVUULPTXRLR-QZTJIDSGSA-N 419.616 4.256 0 1 HIAF COc1cc(OC)c(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)cc1OC 95486330 GYGPTQYOPPTMND-UHFFFAOYSA-N 410.422 4.376 0 1 HIAF biogenic,in-vitro CC1(C)Oc2ccc(-c3cccc(C(F)(F)F)c3)cc2[C@@]2(COC(N)=N2)C12COC2 149406329 LRUHIAIIFSMMGU-NRFANRHFSA-N 418.415 4.100 0 1 HIAF CCC(=O)[C@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@@H]2CC[C@@H]1N2C 169340686 RDOXVARXZHCHTF-RBNVPPIJSA-N 417.718 4.490 0 1 HIAF NC1CC(NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1 169710668 SHHPUXGSYDKRDH-TVPLGVNVSA-N 421.522 4.221 0 1 HIAF COC(=O)/C=C(\CC[C@@H]1[C@@H](C(=O)OC)C=C[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O 238760955 RMNXDJMOHAWPAV-RIWJYIKGSA-N 420.546 4.237 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1cccc(C)c1 261164037 RLSDFTAUQSCIDI-IBGZPJMESA-N 408.429 4.151 0 1 HIAF O=C(Cc1cccc(Oc2ccc3nccn3n2)c1)Nc1cccc(Br)c1 299833461 YCNBWXPSKUZPON-UHFFFAOYSA-N 423.270 4.465 0 1 HIAF COC(=O)c1cccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961156 SIZHKYUTTBKVJZ-LJAQVGFWSA-N 404.491 4.388 0 1 HIAF Brc1cc2c(cc1/C=C/c1nc3ccnc(Br)c3[nH]1)OCO2 586999272 XPNBLUFFLQYVTQ-OWOJBTEDSA-N 423.064 4.382 0 1 HIAF CCS(=O)(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134533 MTMQUCQRVSTTAK-XQRVVYSFSA-N 402.344 4.222 0 1 HIAF N[C@@H](N=O)c1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587182150 AICGGVLFPREBPO-ZDUSSCGKSA-N 412.618 4.212 0 1 HIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587242270 RKZCSJZFCHQYRK-UHFFFAOYSA-N 416.485 4.274 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)[C@@H](C2)C3=O 587418517 BVFKMMGAEZIVFN-AOMKIAJQSA-N 409.825 4.066 0 1 HIAF COc1cc2c3c(c1)O[C@@](C[C@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)[C@@H](C2)C3=O 587437849 LSIYRWIFFJUAPE-YLNUKYHNSA-N 413.514 4.381 0 1 HIAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)Cc3nc4nc(O)nc(O)c4cc3[C@H]12 587561886 XSOLNHBMMMFIMO-JMKAAGEZSA-N 409.530 4.069 0 1 HIAF CC(C)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587597158 TVJOUFBQLBNOEC-YKSBVNFPSA-N 401.418 4.325 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)[nH]c3ccccc23)N1 587792596 PIDAJAQMVISQSW-XYZCENFISA-N 403.251 4.391 0 1 HIAF CC(=O)C[C@@H]1C(=O)CC(C)(C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587819357 HNQAGGLZHNKYEG-GZNWPSJOSA-N 410.327 4.302 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2C[C@@H]2C(=O)O)N1 587825120 FUVMQUSUVUXZSB-HZVRUGQBSA-N 404.279 4.087 0 1 HIAF C[C@@H](C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O 587830644 VSFCNPUTQFVGPT-MRRFBWAASA-N 406.295 4.477 0 1 HIAF O=C(Nc1cccnc1)N1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)CC1 653831302 HHIVFFLXSYHIMP-UHFFFAOYSA-N 406.461 4.363 0 1 HIAF Cc1ccnc2c1CCN[C@]21CCC(c2ccc(Br)cc2)=C1CC(=O)O 963072814 OEDWYJLSQFTMOD-NRFANRHFSA-N 413.315 4.216 0 1 HIAF O=C1c2c(O)cccc2C2(NCCc3c(Cl)cc(Cl)cc32)c2cccc(O)c21 963114916 YBYDXTJABOMZEP-UHFFFAOYSA-N 412.272 4.387 0 1 HIAF CC(C)(C)OC(=O)N1CC[C@]2(NCCc3c(C(=O)O)cccc32)c2ccc(F)cc21 963118112 ABFFWQAVUNLBBT-HSZRJFAPSA-N 412.461 4.058 0 1 HIAF O=C(NCC1C2CC3CC(C2)CC1C3)c1cc(CCCNCCCO)ccc1Cl 1857538058 KSFSQRUEXUFPMB-UHFFFAOYSA-N 419.009 4.047 0 1 HIAF CCCCn1cnc2c(Nc3ccc(Cl)cc3)[nH]c(=N[C@H]3CC[C@H](N)CC3)nc21 1857753769 UIIZAHJFDOZUIV-JCNLHEQBSA-N 413.957 4.127 0 1 HIAF C[C@]1(C(=O)Nc2ccc(F)cc2F)CCN1C(=O)Cc1ccc(Cl)cc1Cl 61902714 FWSPMKKROSDSOM-LJQANCHMSA-N 413.251 4.444 0 3 HIAF O=C1O[C@@H](COC(=O)c2ccc(Cl)cc2)C=C1c1ccc(Br)cc1 6535475 RDYCVAXXAQRZJA-OAHLLOKOSA-N 407.647 4.268 0 1 HIAF O=C(N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1Cl 13601570 NHJFUOCXYVJTDE-FQEVSTJZSA-N 407.832 4.025 0 1 HIAF Cc1c(C(=O)NCCOc2ccccc2)cnc2c(-c3cccc(Cl)c3)cnn12 23437622 ACWRWRSGOFSKOV-UHFFFAOYSA-N 406.873 4.167 0 1 HIAF C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 28527170 ZHJJMVDZXABUHY-NSHDSACASA-N 403.269 4.460 0 1 HIAF CCC[C@H](CC1(C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CCCC1)C(=O)O 34803395 RHGOAASQRMLTGQ-LJQANCHMSA-N 410.514 4.287 0 1 HIAF CCn1cc(-c2nc3ccccc3s2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 43018558 ICDUTCMGNPEBEP-UHFFFAOYSA-N 422.529 4.189 0 1 HIAF CC1(C)SC[C@H](CCCCC(=O)Nc2ccc3c(c2)CO[C@H](C(=O)O)C3)S1 43062370 IMKWGCNSYRUWJI-IRXDYDNUSA-N 409.573 4.296 0 1 HIAF CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1ccc(O)cc1)[C@H](O)C3=O)C=CC(C)(C)O2 43079451 VRUKIMJALJVJOM-YADHBBJMSA-N 422.477 4.468 0 1 HIAF biogenic Cc1ccc(C)c(NC(=O)N[C@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)c1 45189504 CARRWYWWZSHFQR-IBGZPJMESA-N 420.492 4.377 0 1 HIAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCOC)nc1-c1ccc(F)cc1 82140288 IPHMSWGNPBHZGC-UHFFFAOYSA-N 422.504 4.312 0 1 HIAF O=C(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 95877456 RFXUEAARQGUESN-VEXUSMLFSA-N 402.469 4.483 0 1 HIAF NC(=O)c1cc(NCC2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114593002 XUQNRFMIFFHTBM-UHFFFAOYSA-N 420.488 4.190 0 1 HIAF Cc1ccc([C@H](C)NC(=O)COc2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cc1 117514013 MJVATLQDOLXSMC-ZDUSSCGKSA-N 414.456 4.348 0 1 HIAF C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2cccc(-c3cc(O)ccc3F)n2)C1 139642651 HSAKWLGNZJVJCZ-XHSDSOJGSA-N 420.488 4.472 0 1 HIAF COc1ncccc1-c1csc2ncnc(N3[C@H]4CC[C@H]3CC(NC3CCC3)C4)c12 146584426 YCFPRZDCTOQEFW-IRXDYDNUSA-N 421.570 4.404 0 1 HIAF O=C1/C(=C(\NCc2ccccc2)c2cc3cccnc3[nH]2)N=CN1Cc1ccccc1 148845645 JNMMARAQGMMEPU-GHVJWSGMSA-N 407.477 4.092 0 1 HIAF Cc1cccn2c(C)c(N(Cc3ccc(F)c(C(F)(F)F)c3)S(C)(=O)=O)nc12 167639731 JRQLWDRUGGBIIN-UHFFFAOYSA-N 415.412 4.075 0 1 HIAF COc1ccc(-c2cc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)on2)cc1 203007793 IGKUXVKPULGJGR-UHFFFAOYSA-N 403.446 4.096 0 1 HIAF Clc1c(Br)cnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 586967447 XRRJGXKVPRFUFX-UHFFFAOYSA-N 423.683 4.111 0 1 HIAF O=C(Nc1nc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cs1)c1cccc(O)c1 587019852 QWGISIPOEGZAOW-UHFFFAOYSA-N 420.828 4.500 0 1 HIAF O=C(Nc1nc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cs1)c1cccs1 587020120 XSLVVZQDRSEKGM-UHFFFAOYSA-N 412.393 4.480 0 1 HIAF Nc1cccc(C(=O)O)c1-c1nc2c(Br)ccc(Br)c2[nH]1 587248803 WRYLIMUGFVIXSY-UHFFFAOYSA-N 411.053 4.035 0 1 HIAF C[C@@]1(c2ccc(-n3cncn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344131 VXZCSHGEEFDUMF-VWNXMTODSA-N 415.424 4.386 0 1 HIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1O[C@H](C)C(=O)O 587374918 KKNXKTVCCZUWEQ-PIGZYNQJSA-N 419.861 4.188 0 1 HIAF CC[C@]1(c2ccc(OCCCCC(=O)O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441981 NICSXSVWRBOMCK-NTKDMRAZSA-N 410.466 4.382 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C2)N1 587741043 FVUSHECBTDGQEM-RGIROJJOSA-N 413.331 4.395 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCN(C)C)cc2)N1 587742491 RTXYHRGLELERBG-LHSJRXKWSA-N 421.354 4.326 0 1 HIAF CCCOc1cc2nc(CC(=O)OCc3ccccc3)[nH]c2cc1Br 587782848 YPIRCHXZGBFVSY-UHFFFAOYSA-N 403.276 4.400 0 1 HIAF CC(=O)c1ccc2c(c1)[C@@H](c1cccn1C1CC1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962640882 XJGBSCYAGPNRSN-SFTDATJTSA-N 424.497 4.361 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]31C(=O)[C@@H](c2ccccc2)Oc2ccccc21 963065019 IAOSVOSLRXKLMY-XNMGPUDCSA-N 422.484 4.336 0 1 HIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccc(F)c(F)c2)cc1 1772600884 PGDLVWMBYBRVFO-XEUCIMCKSA-N 414.448 4.351 0 1 HIAF COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCC2)c2ccccc2)cc1 1857577023 VSNSVXAEVXTUID-UHFFFAOYSA-N 401.528 4.430 0 1 HIAF COc1ccc(-c2nc(O)c3ccccc3n2)cc1OCC(=O)Nc1ccccc1 1857598560 XKLUHOJYBQERON-UHFFFAOYSA-N 401.422 4.029 0 1 HIAF COC(=O)[C@@H]1[C@H](O)CC[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccccc3)[C@H]12 2356411072 GSVHJKOPCZOBLY-QQTZMGBDSA-N 414.542 4.244 0 1 HIAF CC(C)Oc1ccccc1N1CCN(Cc2ccccc2C(=O)N2CCCCC2)CC1 13600956 XOSWFKITGQDVJE-UHFFFAOYSA-N 421.585 4.422 0 1 HIAF Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(F)c3)nc(-c3ccc(C)o3)n2)n1 29041638 OJFQBKZROTVGHM-UHFFFAOYSA-N 421.432 4.004 0 1 HIAF O=C(NCCN1CCN2c3ccccc3CC[C@@H]2C1)c1ccc(-c2ccccc2)cc1 53132286 GNHRYMJMOSTLHZ-RUZDIDTESA-N 411.549 4.220 0 1 HIAF COCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc(-c3ccccc3)cc2)n1 82153909 QLNJAHKAYPTWIH-UHFFFAOYSA-N 402.498 4.105 0 1 HIAF COc1cccc2c(C(=O)Nc3c(Cl)cncc3Cl)c(C(F)(F)F)nn12 96933416 IGHLODVHSRZSQA-UHFFFAOYSA-N 405.163 4.316 0 1 HIAF O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cccc(Cl)c3)ccc12 113579354 ZTNGNIZTFSYLIR-UHFFFAOYSA-N 401.890 4.120 0 1 HIAF CCN1C(=O)c2cccc3c(NC(=O)c4cccc(-n5c(O)ccc5O)c4)ccc1c23 169693814 CZSSUNHIBKBRQR-UHFFFAOYSA-N 413.433 4.274 0 1 HIAF C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 169709723 UAZQMKCXLHBUTL-YOEHRIQHSA-N 422.451 4.090 0 1 HIAF CCCCOC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729901 FCMPMUWSGXGOHY-VXKWHMMOSA-N 424.497 4.459 0 1 HIAF CCOCc1ccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1 205350930 JMVNXEBPQYZXEO-VGOFMYFVSA-N 422.506 4.103 0 1 HIAF CC[C@@H](C)C(=O)O[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 206556998 PCZOHLXUXFIOCF-NGEHKXCJSA-N 404.547 4.196 0 1 HIAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)nn12 223398988 FPAMRQHYZZNTNE-UHFFFAOYSA-N 406.873 4.298 0 1 HIAF CO[C@H](C)C(=O)N(c1ccccc1F)[C@@H]1CCN(CCc2cccs2)C[C@H]1C 261119712 JIKKIUARYBEXPE-MBOZVWFJSA-N 404.551 4.208 0 1 HIAF CC(C)(C)c1nnc2sc(COc3cc(Cl)c(Cl)cc3Cl)nn2c1=O 299834545 YUOVAJIBKFAIBD-UHFFFAOYSA-N 419.721 4.383 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)cc(C)c4[nH]3)CC2)cc1 586955813 WFKRNJBIZDXLEK-UHFFFAOYSA-N 403.935 4.401 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 586962421 WXYNLOYSHJAXSH-XYPHTWIQSA-N 416.934 4.306 0 1 HIAF N[C@@H](N=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985247 MFLZZKFBYMZVEP-MSOLQXFVSA-N 414.307 4.234 0 1 HIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(O)c1 587241342 ZGLWSFWUGVHXMM-UHFFFAOYSA-N 413.437 4.007 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NC[C@H]3CCCO3)nc1C)CC2=O 587494211 KBRAXZDWXUTURF-JLCFBVMHSA-N 416.543 4.581 0 1 HIAF COc1ccc(-n2ccnc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587579191 TUMGONAHVUFGGY-NZQKXSOJSA-N 414.417 4.289 0 1 HIAF O=C(O)c1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 587586386 BYVVKMYBBNVPRY-DENIHFKCSA-N 401.374 4.275 0 1 HIAF CCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587586777 JQPSKJDUIVIXRS-HYBUGGRVSA-N 401.418 4.006 0 1 HIAF CCC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587600181 MOZXIJDYFBMDLI-XUZZJYLKSA-N 420.417 4.419 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc2c(c1)CCCC2 587604474 UGRXYNAATNVGHF-PXDATVDWSA-N 416.429 4.213 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nnc(-c2ccccn2)s1 587657543 XEFLUNDDOZRAOQ-UHFFFAOYSA-N 419.416 4.244 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CCNCC2)N1 587795021 NFDHRYNZNZFXJX-SPLOXXLWSA-N 403.339 4.366 0 1 HIAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1C=O 587807867 OHDGKNHVOAKCJU-OVWNDWIMSA-N 408.267 4.042 0 1 HIAF CN1CCc2c(Br)cccc2[C@@]12CCOc1ncc(Br)cc12 963278580 CFASPQZUOFQJNM-QGZVFWFLSA-N 424.136 4.121 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2)C[C@H]1CN1CCC(O)(c2ccc(Cl)cc2)CC1 1772648720 MQVFMLRFITXVFG-RDPSFJRHSA-N 413.945 4.144 0 1 HIAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 1857753088 DQHMGWBZTWCJAU-UHFFFAOYSA-N 424.492 4.112 0 1 HIAF O=C(NC/C=C\CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1 13534416 DHOCETPWLQILEE-PLNGDYQASA-N 404.341 4.102 0 1 HIAF COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)N1CCOCC1 40394403 PYHWWPPLQATTEX-HXUWFJFHSA-N 413.315 4.428 0 1 HIAF Nc1ccncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 40412689 AXMNOPYHDGDDMR-UHFFFAOYSA-N 415.297 4.139 0 1 HIAF CCCNC(=O)CC1=C(C)/C(=C/c2ccc(S(C)(=O)=O)cc2)c2ccc(F)cc21 42967232 HSOZIPXWXXTYDV-NDENLUEZSA-N 413.514 4.473 0 1 HIAF FC(F)(F)c1cccc(N2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1 52716760 HDSVSOQGJMTVCW-UHFFFAOYSA-N 422.476 4.445 0 1 HIAF OCCc1c(N2CCNCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl 66075122 BIAVMTXNWZLKTJ-UHFFFAOYSA-N 402.325 4.153 0 1 HIAF COCCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccccc2)n1 82133266 RTEQXCGHUFCQPP-UHFFFAOYSA-N 410.905 4.175 0 1 HIAF CCN(C)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccccc1F 82217172 ZLMBVOVKRVRLLT-UHFFFAOYSA-N 408.477 4.038 0 1 HIAF CCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 101453182 PCVVDSNZIIIFBE-GLRZTSSQSA-N 407.505 4.033 0 1 HIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccnc(-c2nccs2)c1 103258163 KADANZJOWRDPNQ-QGZVFWFLSA-N 409.511 4.476 0 1 HIAF Cc1cc([C@@H](O)C(F)F)ncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144355828 LQFDMNJARJYYBV-SIXWZSSISA-N 401.388 4.200 0 1 HIAF Cn1cc(-c2cc(OCC(C)(C)O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144938016 GREFSKGKKVFHGU-OAQYLSRUSA-N 418.415 4.015 0 1 HIAF CC(C)[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 169356363 AHUKDBFUVJNLJK-IEZKXTBUSA-N 401.510 4.439 0 1 HIAF Cc1ncccc1Oc1ncnc(OC2C[C@@H]3[C@H]4C[C@H]4[C@@H](C2)N3C(=O)OC(C)C)c1C 169724824 FWAAPZFDGYIRMI-BMSWRWNDSA-N 424.501 4.056 0 1 HIAF CC[C@@H](C)C(=O)O[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 203194273 PCZOHLXUXFIOCF-NHLVYFFSSA-N 404.547 4.196 0 1 HIAF COCc1ccccc1[C@@H]1OCCn2cc(-c3cc4c(OC)c(C#N)ccc4[nH]3)nc21 221874260 PKLALEKIGAUIEA-QHCPKHFHSA-N 414.465 4.178 0 1 HIAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 299885845 WDBSOFKIYJKKEL-KHUIQGCPSA-N 406.526 4.322 0 1 HIAF CN1CCN(c2ccc3nc(-c4cc(Br)ccc4Cl)[nH]c3c2)CC1 586980066 HENZOCJUNQBZEI-UHFFFAOYSA-N 405.727 4.398 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCO4)C[C@@H]2CCCC[C@@H]21 587024488 ANXFPMUZSQSFMR-WBAXXEDZSA-N 409.511 4.428 0 1 HIAF N[C@H](c1ccsc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587028122 VUWSFMBGHSCVFI-QGZVFWFLSA-N 418.931 4.127 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3ccccc3Cl)nc2c1 587059487 SDHNVQHSHAOORP-ZDUSSCGKSA-N 408.683 4.008 0 1 HIAF FC(F)=C(C[C@H]1CCCN1)c1nc2c(Br)cnc(Br)c2[nH]1 587087744 GCOGPNYXRZPRAJ-ZCFIWIBFSA-N 422.071 4.233 0 1 HIAF O=C(COc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCO3)Nc1ccccc1F 587153925 FEYVMIAPWSZSBR-UHFFFAOYSA-N 419.412 4.158 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(F)c(F)ccc2[nH]1 587181268 PYTJJJODDNSUAP-ZETCQYMHSA-N 402.186 4.280 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1C[C@H]2CN(Cc2ccccc2)C1 587594966 NWZCGVBZIRJHKF-YDHSSHFGSA-N 413.473 4.245 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587726874 LXAVQNGBVKWAPX-ODXCJYRJSA-N 424.285 4.263 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1cccnc1-c1ncccc12 587777937 KAALDSDHTAMNSD-FIKIJFGZSA-N 424.273 4.019 0 1 HIAF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)O 587802675 TUAWSCIZNUQVIA-MGNBDDOMSA-N 408.267 4.309 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(C)cc4OC)[nH]c3c2)cc1 587925281 KZFACVJIENIBKC-UHFFFAOYSA-N 423.494 4.356 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cc3ccc(Br)cc3s2)N1 962899026 NWJCCCAJUKEHED-YOEHRIQHSA-N 406.276 4.491 0 1 HIAF COc1cccc2cc3c(nc12)[C@@H](c1nc2cc(C(F)(F)F)ccc2n1C)NCC3 963035595 OCEYFKGRAOYBDB-FQEVSTJZSA-N 412.415 4.384 0 1 HIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](Cc2ccccc2)(c2ccc(O)cc2)N1 963236369 WSAVEROYXFULPE-AHWVRZQESA-N 410.473 4.026 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(Cl)c(O)c(Br)c1 963608390 KXEATGGZVXCTJD-XYZCENFISA-N 412.711 4.449 0 1 HIAF COc1c(OCC(F)F)ccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772633726 UWJFWEMUGZGUJQ-HNNXBMFYSA-N 418.484 4.095 0 1 HIAF O=C(c1nnc2ccc(Cl)cn12)N1CCC(c2ccccc2C(F)(F)F)CC1 1857559927 MNIQPIGWZVVJCM-UHFFFAOYSA-N 408.811 4.421 0 1 HIAF Cc1ccc2c(=NC(=O)c3ccoc3)[nH]n(Cc3ccc(C(F)(F)F)cc3)c2n1 1857569805 QPVOJLPSKBTMNX-UHFFFAOYSA-N 400.360 4.074 0 1 HIAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCC=CC(=O)O)[C@H](O)C[C@H]1O 2356388975 BEKLYIAFACFFDO-HIUFNZKISA-N 400.556 4.182 0 1 HIAF CC1=C(CC[C@](C)(O)C=CCC(=CC[C@@H]2OC(=O)C=C2CO)CO)C(C)(C)CCC1 2356421193 BTSJKOQHESKBDD-WIOPSUGQSA-N 418.574 4.143 0 1 HIAF O=C1CC[C@@H](CN(Cc2ccccc2)Cc2c[nH]nc2-c2cc3ccccc3o2)N1 15962500 ZBPCOZBSLKVJQJ-FQEVSTJZSA-N 400.482 4.104 0 3 HIAF C[C@@]12C(=O)N(c3ccc(Br)cc3)C(=O)N1CCc1c2[nH]c2ccccc12 2112410 PAEFSJQSSRLFMZ-HXUWFJFHSA-N 410.271 4.171 0 1 HIAF biogenic COc1cccc2c1Oc1ncccc1N(c1ccc(C(=O)N3CCOCC3)s1)C2 9229158 FASZXWUNKQYOHJ-UHFFFAOYSA-N 423.494 4.068 0 1 HIAF O=C(Cc1ccc(Br)cc1)N1CCc2ccccc2[C@H]1CN1CCCC1 26579109 CKUAYOQADHCCJL-OAQYLSRUSA-N 413.359 4.213 0 1 HIAF COc1cccc(Cn2[nH]c(-c3ccccc3)c(Cc3ccc4c(c3)OCO4)c2=O)c1 28763618 YRCSLDAUOOSNQS-UHFFFAOYSA-N 414.461 4.220 0 1 HIAF CNC(=O)c1cc(NCc2c(C)cccc2C)c2[nH]c(C)c(Br)c2n1 29128123 CAWIKYYSWKVDAI-UHFFFAOYSA-N 401.308 4.222 0 1 HIAF O=C(Nc1ccccc1O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 32904343 XSKNYBZPXJSMMC-UHFFFAOYSA-N 408.888 4.160 0 1 HIAF Cc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CC[C@H]2CCCN2C)o1 82178506 QVDPTLOLDJVIRX-LJQANCHMSA-N 416.529 4.491 0 1 HIAF O=C(CCCCN1CCCCC1)Nc1cc(-c2ccc(Br)cc2)[nH]n1 84742575 MIQNWMJNRQADMN-UHFFFAOYSA-N 405.340 4.434 0 1 HIAF Cc1ccc([C@H]2C[C@@H](C(F)F)n3ncc(C(=O)NCc4ccc(F)cc4)c3N2)nc1 96922564 YLEDZHBBTIXVGS-MSOLQXFVSA-N 415.419 4.019 0 1 HIAF Cc1cc(C(=O)c2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 100618852 UNGFHQPZAADWDG-YGFACIEFSA-N 412.493 4.146 0 1 HIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](NNc3ccccc3)[C@H]2C)OCO4)c1O 105521032 YUFWLCGNALQQFC-PINLKFFASA-N 420.465 4.233 0 1 HIAF C[C@@]1(C(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccccc2O1 143496646 TVLDHXOVDMTRML-IERDGZPVSA-N 401.413 4.240 0 1 HIAF O=C(Nc1ccc(C2=CCN(C(=O)[C@H]3CCCO3)CC2)cc1)N1Cc2ccccc2C1 167499820 ZZXMVGDNGPLJFV-HSZRJFAPSA-N 417.509 4.029 0 1 HIAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccn3cnnc3c2)c(F)c1 224770105 MRUYQWHGBUHFNB-UHFFFAOYSA-N 424.501 4.279 0 1 HIAF Cc1ccc(-c2ncccc2C)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1 226052383 QRUHHPPNCJHLTN-ZJOUEHCJSA-N 414.509 4.228 0 1 HIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cccc(N)c3)CC[C@H]12 253635869 GXYDBTCLBZLDRJ-VVUHAGMXSA-N 407.558 4.121 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCCOc5ccccc54)ncc23)ccn1 261125092 KBIFQTCYCGDXKU-GOSISDBHSA-N 414.469 4.364 0 1 HIAF O=C(c1cccc2ccccc12)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O 377836332 SVEDBAUUQSUHKB-UHFFFAOYSA-N 421.301 4.474 0 1 HIAF COc1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961120 PQKXCCJAMYLZRP-IPELMVKDSA-N 411.527 4.266 0 1 HIAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)c(Cl)cc2[nH]1 586965511 ZVGWKIMHGGCKGA-UHFFFAOYSA-N 422.345 4.327 0 1 HIAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(O)cc3[nH]2)C[C@@H](C)O1 586968389 NVOVOLVUERZXSF-OKILXGFUSA-N 421.526 4.118 0 1 HIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2C1 587032255 RBTYQGMHPFPDNV-QGZVFWFLSA-N 413.503 4.308 0 1 HIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc2N1 587126556 YCZVKQGRICVDMC-VFZGTOFNSA-N 405.359 4.059 0 1 HIAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587203746 SRTAMNYFHIZKTD-CQSZACIVSA-N 407.348 4.024 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCOc4ccc(Br)cc41)[C@@H](C2)C3=O 587417154 JJHLHHAQTMKAFT-YWZLYKJASA-N 401.256 4.273 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCN4CCCC[C@H]4C)cc1)[C@@H](C2)C3=O 587439838 WUANSFAENRAQBF-YFLQWDEBSA-N 407.510 4.437 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)NC(C)(C)C)cc1)CC2=O 587469492 IOKHFXXBHJZSJL-NRFANRHFSA-N 411.498 4.345 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(=O)(=O)CC(C)C)c1)CC2=O 587485905 KIUDPEUJQGVITM-OAQYLSRUSA-N 402.512 4.481 0 1 HIAF COc1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1 587606197 CECKVCAQZCSRAE-HYBUGGRVSA-N 416.385 4.210 0 1 HIAF CN(C)C(=S)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587612063 IQFFIXWYQDDWEL-SIKLNZKXSA-N 421.474 4.320 0 1 HIAF Cc1nn(C)c(C)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587703808 GYCAZCARUFAXJY-ZKANADHPSA-N 420.248 4.279 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587724568 JMBPUEKDJMLPFB-FKIZINRSSA-N 424.285 4.377 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc(F)cc3c2=O)N1 587735920 VSPFTQFDPMOKSS-LZVRBXCZSA-N 406.226 4.457 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)nc2F)N1 587737843 HRUQESOYNNGPQE-ZMZPIMSZSA-N 408.290 4.346 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2cccc(N)c2)N1 587746649 NGOQGIPAKZPQQG-ZSEKCTLFSA-N 412.306 4.392 0 1 HIAF CC(C)CN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587766104 FGTVHNLIJYGVBL-ZSEKCTLFSA-N 417.322 4.369 0 1 HIAF COc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 587779803 WEINZWNRQWMVIZ-APBUJDDRSA-N 417.278 4.474 0 1 HIAF C[C@H](Oc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1)C(=O)O 587798421 ZZQPKOSCCDKZFI-LIBAHTEVSA-N 408.267 4.064 0 1 HIAF COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC 587808093 OSYUMNTXBQBECD-YBTHPKLGSA-N 424.310 4.412 0 1 HIAF Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587837174 DBIHLYAFRFMVKI-YBTHPKLGSA-N 418.262 4.035 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 587872663 QCYCDCBTWUDNQN-QGZVFWFLSA-N 403.454 4.128 0 1 HIAF COC1=C(c2ccccc2)Oc2ccc(OC)cc2[C@]12NCCc1ccc(O)cc12 963353806 UFBFKDFYCHRILN-VWLOTQADSA-N 401.462 4.198 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1cn2ccccc2n1 963853964 KPKSVGIRIOXZRJ-VGOFRKELSA-N 421.497 4.369 0 1 HIAF Cc1cc(Oc2ccc(C[C@@H]3SC(=O)N(CC(=O)O)C3=O)cc2)cc(C)c1Cl 1857639316 HNJWCMXJDKLPSG-INIZCTEOSA-N 419.886 4.440 0 1 HIAF Cc1cc(F)ccc1-c1cccn2[nH]c(=N[C@@H]3CCc4c(cnn4C(C)C)C3)nc12 1857751911 PPCFNAVIMUQHPB-GOSISDBHSA-N 404.493 4.013 0 1 HIAF C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 1857762883 BQGJIYIEESWQJW-ARBPTSGCSA-N 403.457 4.454 0 1 HIAF COc1cc(OC(C)=O)c(I)c2c1CC[C@@H](c1ccccc1)O2 2356283768 ATSPGPYEGAPMOB-AWEZNQCLSA-N 424.234 4.291 0 1 HIAF COc1cc(-c2c([C@@H]3O[C@H](OC)[C@H](C)[C@@H]3C)cc3c(c2OC)OCO3)ccc1O 2356410704 BDGXQQPRVHLWJO-JWSHKFGNSA-N 402.443 4.121 0 1 HIAF COc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3CN(C)C)c2c1 4268145 KVMIDPVVVWJTNP-UHFFFAOYSA-N 401.514 4.350 0 1 HIAF CC[C@@H](C)C(=O)O[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 5893052 PCZOHLXUXFIOCF-WKVWXGNKSA-N 404.547 4.196 0 1 HIAF CCC(=O)[C@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 13439763 RDOXVARXZHCHTF-NENTXLIVSA-N 417.718 4.490 0 1 HIAF CCCC(=O)c1ccc(OCCCCOc2ccc(-c3nn[nH]n3)cc2)c(C)c1O 13582297 GRXBQBZQNCYJFJ-UHFFFAOYSA-N 410.474 4.102 0 1 HIAF CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)NCC2(C)C)cc1 22939687 YLSDZONXUSTQQM-NTKDMRAZSA-N 423.601 4.339 0 1 HIAF O=C1CCc2ccc(OCCCCN3CCN(c4ccc(Cl)cc4)CC3)cc2N1 27745796 PJHZXDUJGOCKIJ-UHFFFAOYSA-N 413.949 4.206 0 1 HIAF CCCNC(=O)[C@H](CC(C)C)SC[C@@H]1CCCN1C(=O)OCc1ccccc1 28096549 UPVVGIMUGKWOTB-PMACEKPBSA-N 406.592 4.462 0 1 HIAF COc1cc(CCNC[C@@H](O)COc2ccccc2/C=C/c2cc(C)no2)ccc1C 29230912 UXVLOXWTLVNZSJ-NELJVSICSA-N 422.525 4.042 0 1 HIAF C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CCc1ccc(-c2ccccc2)cc1 40609692 RQLHBARIZHWBJF-FYWRMAATSA-N 412.315 4.459 0 1 HIAF O=C(c1ccc(F)cc1)N1CCC2(CC1)CCN(Cc1ccc(Cl)cc1)C2=O 64511911 CVMCIBXWARAWMF-UHFFFAOYSA-N 400.881 4.134 0 1 HIAF CCCCCNc1ncnc2c1nc(-c1cccs1)n2CCCN1CCCC1=O 82186636 RFCWFUPTRXOGSM-UHFFFAOYSA-N 412.563 4.169 0 1 HIAF Brc1cccc(-n2cnc(-c3ccccc3-c3ccnc4c3CNO4)n2)c1 87722413 WUUOKGCPZUOGCM-UHFFFAOYSA-N 420.270 4.156 0 1 HIAF CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)c(CN)c4)cnc32)cc1 95598250 CYPBJHYRANASMX-UHFFFAOYSA-N 401.514 4.452 0 1 HIAF O=S(=O)(Oc1ccc(O)cc1)[C@H]1C[C@@H]2O[C@@H]1C(c1ccccc1)=C2c1ccccc1 101079049 WGUNGSLOGCNJMP-HFMPRLQTSA-N 420.486 4.252 0 1 HIAF O[C@H]1CCN(CC2CCN(c3ncnc4scc(C5CCCCC5)c34)CC2)C1 146420663 CCULIGYIRNPDTK-SFHVURJKSA-N 400.592 4.022 0 1 HIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(N2CCCCC2)n1 166314017 LOJGRVWMQAEVDP-LJQANCHMSA-N 409.530 4.343 0 1 HIAF COc1cc(OC)c2c(=O)cc(-c3ccc(OCCN4CCCCC4)cc3)oc2c1 169349824 VCUSXXYDSLOYQZ-UHFFFAOYSA-N 409.482 4.342 0 1 HIAF C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc2c(c1)OC(F)(F)O2 205435605 IWFINCAPURWIIR-NSHDSACASA-N 413.380 4.305 0 1 HIAF Cn1cc2ccc(-c3cccc(OC[C@H](O)CN4CCc5ccccc5C4)c3)cc2n1 219730531 FITUROXCOXJFBG-XMMPIXPASA-N 413.521 4.038 0 1 HIAF O=C(O)c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1F 586985765 RMDHGYHBILCTRM-KRWDZBQOSA-N 418.266 4.348 0 1 HIAF OCc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 587000301 LHIPBRYPFDYCEG-UHFFFAOYSA-N 409.287 4.492 0 1 HIAF COc1cc(OC)c2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2c1 587019546 PNTPEZQBLPNCFM-UHFFFAOYSA-N 409.471 4.271 0 1 HIAF COc1ccc2nc(-c3nc4cc(S(=O)(=O)C(F)(F)F)ccc4[nH]3)sc2c1 587035148 MCWQNMCMMLJWGQ-UHFFFAOYSA-N 413.402 4.142 0 1 HIAF Cc1ccc2c3c(c(CCC(=O)O)c(CCCC(=O)O)nc13)-c1ccccc1C2=O 587099986 CEGXBAOPPMYQQZ-UHFFFAOYSA-N 403.434 4.179 0 1 HIAF CCOC(=O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1 587105649 CPUISYUZRGJPGY-IQVOZAENSA-N 412.489 4.017 0 1 HIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587111407 BZVWIOULMUJYAH-INIZCTEOSA-N 416.325 4.395 0 1 HIAF COC(=O)c1cccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 587114019 PHLLWLZMGZQSOW-UHFFFAOYSA-N 423.416 4.240 0 1 HIAF COc1c(F)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1F 587135313 YUYHBHSPANMVET-UHFFFAOYSA-N 419.023 4.437 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1c(NC(=O)C(C)(C)C)ccnc1Cl)[C@@H](C2)C3=O 587419638 HLUARYRTFNXYET-SGTLLEGYSA-N 400.862 4.217 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4cccnc4)c1)[C@@H](C2)C3=O 587436860 UYAHMZACUAIHPA-UUOWRZLLSA-N 403.434 4.167 0 1 HIAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O 587744184 QYPRCBBQBWSDSW-GIPWTMENSA-N 421.310 4.353 0 1 HIAF CC(=O)NCCc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587753526 HMNQWPOLDOCWEN-YEJXKQKISA-N 419.338 4.065 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3CCOCC3)c2)N1 587775757 UTZFXJAZFSEVJL-RNODOKPDSA-N 405.311 4.048 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc(O)cc2)N1 587792980 JBLPGSXJHGRPGM-APBUJDDRSA-N 402.267 4.308 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCC(=O)O)cc2)N1 587796421 STYMBWRWHPUVPL-ODXCJYRJSA-N 422.294 4.455 0 1 HIAF COC(=O)c1cc(OC)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587812284 ZFXBNXVDUVNNMY-MLCYQJTMSA-N 408.267 4.007 0 1 HIAF Cc1noc(C)c1-c1cnc(N)c(Oc2ccc(C(=O)Nc3ccccc3)cc2)n1 1911578289 LOZVEFLIYFPCMV-UHFFFAOYSA-N 401.426 4.375 0 1 HIAF C[C@]1(C(=O)Nc2ccc3[nH]cnc3c2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61904264 IWAZTUUOFIMUDM-AREMUKBSSA-N 424.504 4.402 0 3 HIAF COc1cc([C@H]2c3c(ccc4ccccc34)C(=O)[C@@H]3CCC(=O)N32)cc(OC)c1OC 1654629 IICTUDOZPQPQOD-MBSDFSHPSA-N 417.461 4.142 0 1 HIAF Cc1cccc(-c2nnc(C3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)o2)c1 6737490 HFGVXORQPFLSCF-UHFFFAOYSA-N 417.918 4.267 0 1 HIAF CCCC[C@H](C(=O)NCc1ccccc1)N(C(=O)c1cnccn1)C1CCCCC1 28954040 VNQMVKLYHQKOMW-JOCHJYFZSA-N 408.546 4.127 0 1 HIAF Cc1nc2c3c(c(C(=O)N4CC(F)(F)C4)cn2c1C)CC[C@]1(CCc2ccccc21)O3 40420195 PAZVVKBRXMMSIL-QHCPKHFHSA-N 423.463 4.209 0 1 HIAF CCCCc1cc(OC2CCN(CCCS(=O)(=O)CC)CC2)c2ncccc2c1 59028321 KCCUYRWFHHFONN-UHFFFAOYSA-N 418.603 4.245 0 1 HIAF Cc1cccc(-n2ncc3c2C(C)(C)CCN(C2[C@H]4CC5C[C@@H]2CC(O)(C5)C4)C3=O)c1 95587712 GDPNNZFTLYUMTF-OMXRJYKRSA-N 419.569 4.244 0 1 HIAF CCC(=O)C(C)(C)c1ccc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1 96174450 QJHPVYRAPOSEQG-UHFFFAOYSA-N 413.481 4.380 0 1 HIAF CCCOC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 96286048 NDWDLJQCZNKAHG-KRWDZBQOSA-N 408.497 4.293 0 1 HIAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1ncc[nH]1)(C3)C2 101065164 XGDUOZKIZRASEM-BTUBWEPYSA-N 413.949 4.483 0 1 HIAF COCCNC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 105174661 SFZXCDVQXQADOE-GIUOSPMZSA-N 422.573 4.311 0 1 HIAF O=C(c1ccccc1Cl)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 144172203 WHXKKYINRLTROS-UHFFFAOYSA-N 407.905 4.352 0 1 HIAF O=C(Nc1ccncc1)Nc1cccc([C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1 169025752 FPZBIWLOOPEUJV-KRWDZBQOSA-N 413.485 4.381 0 1 HIAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586984585 SXJOXLUZVVANKQ-GFCCVEGCSA-N 400.198 4.467 0 1 HIAF Cc1ccc2c3c(c(C[C@@H](N)C(=O)O)c(-c4ccccc4)nc13)-c1ccccc1C2=O 586995904 KJICEFIKOGKXMY-HXUWFJFHSA-N 408.457 4.376 0 1 HIAF Fc1ccc(I)cc1-c1nc2ccnc(Br)c2[nH]1 587182693 OMDHSEMFBOSEQV-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)ccnc1N1CCCCC1)O2 587378542 VBVZWZYYTWEXGZ-QGZVFWFLSA-N 416.319 4.432 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OCc3ccccc3)CC1(C)C)O2 587397334 ZVGYGKCBPWLINJ-XMMPIXPASA-N 408.498 4.350 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416579 DESGZWFJRMJMDA-BQEZGVCGSA-N 414.299 4.176 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581571 IBWHRTQBMUYROE-FPDPHYFHSA-N 411.454 4.122 0 1 HIAF COC(=O)C[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587734127 SUCCZQNWSKGWLV-WLRWDXFRSA-N 410.258 4.068 0 1 HIAF COc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587740812 FMZAPDAAIKSCFG-YUNKPMOVSA-N 421.310 4.375 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C(=O)C2)N1 587767650 JOTNCJXYSCZYAZ-QKKBWIMNSA-N 417.322 4.140 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587789903 DUASOJMGFAEGAY-UYSIFFEZSA-N 422.294 4.152 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc(O)cc2)N1 587792164 GZMYPRYQDANBDD-GIGQVBGESA-N 402.267 4.308 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)Nc1ccc(C)cc1 587862614 RUJMSAOYVQFRHV-UHFFFAOYSA-N 403.360 4.165 0 1 HIAF COC(=O)Cc1cc(OC)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1OC 587944777 HWYZEFYROMGNHA-UHFFFAOYSA-N 403.381 4.281 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc3cc(F)c(F)cc3nc1Cl)NCC2 962930711 YXKXGORIMJFCHA-IBGZPJMESA-N 401.844 4.103 0 1 HIAF Cc1ccc(F)c2c1NC(=O)[C@@]21NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949223 DQGJKVVKMIXLID-NRFANRHFSA-N 420.406 4.000 0 1 HIAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356286631 JOJOTOFFEPJKEF-AQNXPRMDSA-N 417.557 4.488 0 1 HIAF CCCCCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)CC(C)(C)C)[C@H]1c1cccs1 2356316065 AVANJSDPIYIGCC-SJBKTWHCSA-N 408.608 4.274 0 1 HIAF CC(C)=CCc1c(O)c2c(c3c1O[C@@H](C(C)(C)O)C3)OC[C@@H](c1ccc(O)cc1)C2=O 2356427833 ODCYMWRNQUTVAA-RBUKOAKNSA-N 424.493 4.040 0 1 HIAF C[C@@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCN1Cc1cc2ccccc2o1 61925966 QEGXUGSWZXCTFY-SANMLTNESA-N 417.553 4.178 0 3 HIAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@H]1c1cccc(OC)c1 95602700 GLHOFCLVBQGAQJ-IBGZPJMESA-N 416.930 4.227 0 3 HIAF CN(C(=O)CCCCOc1ccc2nc3[nH]c(=O)n(C)c3cc2c1)C1CCCCCC1 1548561 NAPKHDRXTZVUOK-UHFFFAOYSA-N 424.545 4.145 0 1 HIAF Cc1c(C(=O)N2CCC[C@H](C)C2)sc2ncnc(N3CCc4ccccc4C3)c12 2931576 XYUZNDXOEOCCMQ-HNNXBMFYSA-N 406.555 4.435 0 1 HIAF COc1cc2cc3c(c(-c4cc(OC)c(OC)c(OC)c4)c2cc1OC)COC3=O 4199932 WBJONNSPSBKOSD-UHFFFAOYSA-N 410.422 4.220 0 1 HIAF CCOC(=O)c1c(NC(=S)Nc2ccc(C(=O)O)cc2)sc2c1CCCC2 13796101 WQZZALMJKSNTBT-UHFFFAOYSA-N 404.513 4.311 0 1 HIAF Cc1noc(-c2ncn3c2CN(Cc2ccccc2)C(=O)c2c(Cl)cccc2-3)n1 13828201 AKHVRYWRJSIEQM-UHFFFAOYSA-N 405.845 4.040 0 1 HIAF COc1ccc(-c2cnc(N3C[C@H](c4ccc(Cl)cc4Cl)[C@@H](N)C3)nc2)cc1 14958702 MGPCIBLVBGADEC-QUCCMNQESA-N 415.324 4.390 0 1 HIAF CC1(C)Oc2ccc(C(=O)c3ccccc3)cc2[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1O 27519355 DUZBLSGNHVRCAO-FYYLOGMGSA-N 419.452 4.060 0 1 HIAF O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCCCCC3)co2)cc1 38480037 MVQUTGFENRLOOK-UHFFFAOYSA-N 417.509 4.217 0 1 HIAF CC[C@H](C)C(=O)O[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 40434659 PCZOHLXUXFIOCF-CAEYOPJQSA-N 404.547 4.196 0 1 HIAF COc1cc([C@@H]2Oc3ccccc3C[C@H]2OC(C)=O)cc(Br)c1OC 45353806 YOUSVLYMQHQFKP-MSOLQXFVSA-N 407.260 4.074 0 1 HIAF O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(C(F)(F)F)cc1 45366872 PFLIRHXUMIYWRK-OAHLLOKOSA-N 423.460 4.282 0 1 HIAF O=C(N[C@H](Cc1cccc(F)c1)C(=O)Nc1nccs1)c1ccc2ccccc2c1 49066794 KAVOBALXIUNOCB-HXUWFJFHSA-N 419.481 4.415 0 1 HIAF Fc1ccccc1OCc1nc2c(OCCCNCc3cccnc3)cccc2o1 64531935 YURCYYJIJGPMBB-UHFFFAOYSA-N 407.445 4.500 0 1 HIAF C/C=C(\C)C(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@@H]1OC(C)(C)OC1(C)C 70455311 YMVDDLDKESKNJK-SUFKLLJCSA-N 416.470 4.282 0 1 HIAF biogenic,in-vitro COc1cccc(OC)c1-c1cnnc(NCc2nc3cc(Cl)ccc3s2)n1 95584846 XWIPZHPCLURHOL-UHFFFAOYSA-N 413.890 4.431 0 1 HIAF CCOc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3ccnn3)c1)=N2 101460234 QNDQOKDXZJHKLB-UHFFFAOYSA-N 415.375 4.148 0 1 HIAF O=C(N[C@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1 103247949 IRNGVYZGPNAVHN-VQTJNVASSA-N 400.906 4.224 0 1 HIAF CS(=O)(=O)NC(=O)c1ccc(OCCC23CC4CC(CC(C4)C2)C3)c(Cl)c1 216198228 SPIFLWBSBCGQJF-UHFFFAOYSA-N 411.951 4.015 0 1 HIAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3ccccc3)cc2F)cn1 224736467 OKAFEUZHWDMEFO-UHFFFAOYSA-N 420.469 4.333 0 1 HIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc2c(c1)OCO2 586986553 COYVCYSZJJZCMO-UHFFFAOYSA-N 424.412 4.062 0 1 HIAF O=C(O)c1cc(F)cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 587016359 AGGITEBVNDEJDV-UHFFFAOYSA-N 405.414 4.816 0 1 HIAF C[C@]1(c2nc3c(Br)cnc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587155698 KJCVOBIEWQZKTB-MRXNPFEDSA-N 409.646 4.304 0 1 HIAF CN(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170049 MZZBBBAAXPKQSF-UHFFFAOYSA-N 421.803 4.195 0 1 HIAF COc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1OCC(=O)NC(C)C 587223199 MQUUAAWBKLKIJJ-UHFFFAOYSA-N 407.392 4.161 0 1 HIAF C[C@@H]1Nc2ccccc2C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348835 SKMFHXFRIBNRFA-MLORMASFSA-N 403.409 4.326 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OCc3ccccc3)c3oc(N)nc3c1)O2 587388506 CGVISUJCWMRHOB-FQEVSTJZSA-N 415.449 4.586 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1sc(NC)nc1N)CC2=O 587495062 OUWGJZZCLPGIAD-HSZRJFAPSA-N 423.538 4.643 0 1 HIAF CCn1ncc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538419 DUBJELIVOYJHFP-HNAYVOBHSA-N 415.243 4.074 0 1 HIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2sc(=O)oc12 587618589 OTZXZDIMNIBFQW-PXNSSMCTSA-N 422.414 4.272 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(Cl)cc3)nn2)N1 587693327 DLJNEUOAYDQZBZ-XTZNXHDOSA-N 421.701 4.446 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2cnn(C)c2)N1 587732514 NNCCKVUXJRHFRS-ODXCJYRJSA-N 418.285 4.287 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCCN(C)C)c2)N1 587741179 MFBVPXYDQLDOMH-LHSJRXKWSA-N 421.354 4.326 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N(C)c2ccccc2)N1 587754296 JKDQPGCXUNYWLO-ZUOKHONESA-N 405.311 4.391 0 1 HIAF COc1ccc(-n2ccnc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587755781 QNYFTMOZXPFPRB-HXPMCKFVSA-N 416.294 4.406 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccnc3)CC2)N1 587769253 NVZJWCOKBFUCBO-AWEZNQCLSA-N 404.327 4.009 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccncc12 587778866 OLEPWHOCZLQKSL-AMXDTQDGSA-N 423.285 4.354 0 1 HIAF CC[C@@]1(Cc2ccccc2Br)NCCc2ccc(C(=O)N(C)C)cc21 962931467 NQCNMYZOKDPJLO-NRFANRHFSA-N 401.348 4.145 0 1 HIAF CCc1nn(C)c(CC)c1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962952406 HMYHWJFXBRKESE-FQEVSTJZSA-N 407.480 4.305 0 1 HIAF CCOC(=O)C[C@H]([C@@]1(C)NCCc2c1sc(C)c2C)P(=O)(OCC)OCC 963029281 RIWDQYPODDGJJU-VQIMIIECSA-N 417.508 4.314 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CC(C)(C)C(=O)O)c1cccc(F)c1 963603289 CDQYQCPBBBBQMG-LFVRLGFBSA-N 401.478 4.122 0 1 HIAF CCCCOc1cccc(OC2CN(c3nc4ccc([C@H](C)NC(C)=O)cc4o3)C2)c1 1772645044 YRZHAKYSYKYBAU-INIZCTEOSA-N 423.513 4.471 0 1 HIAF O=C(N[C@H]1CC[C@@H]([C@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1)c1ccccc1 1857596273 GGPLEOHHSWNDKN-KSZDXEJVSA-N 401.510 4.193 0 1 HIAF C[C@H]1CN(C(=O)Cc2ccccc2)CCN1C(=S)Nc1ccc(C(F)(F)F)cc1 1857619599 GRHVCFOZXHUVSU-HNNXBMFYSA-N 421.488 4.178 0 1 HIAF COCCOc1cccc(CC2CCN(CCc3ccc4c(c3)C(=O)CCO4)CC2)c1 1857756031 PTAYGOIFNCZWSM-UHFFFAOYSA-N 423.553 4.174 0 1 HIAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F)N1CCOCC1 768816 MNMPIGMRBIGOLD-PKOBYXMFSA-N 423.271 4.083 0 1 HIAF CO[C@@H]1/C(=C\c2ccccc2I)c2ccccc2N1C(C)=O 1616582 KGZQQBDHAFJPST-VHUCWBOISA-N 405.235 4.171 0 1 HIAF CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccncc32)cc1)C(=O)O 12358193 OCSNIPAKIFPWTJ-QHCPKHFHSA-N 404.466 4.301 0 1 HIAF CCCCCC[C@@H](CCCCNC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)CC(=O)O 13764953 SXNUBKHCXNSGCT-INIZCTEOSA-N 414.550 4.413 0 1 HIAF O=C(c1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1)N1CCCCC1 14974731 XQVRYCHBRUAEMD-UHFFFAOYSA-N 416.506 4.340 0 1 HIAF COc1ccccc1N(C(=O)[C@@H](C)OC)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C 26722848 DGHGOWMPBMIXER-VWPQPMDRSA-N 410.558 4.016 0 1 HIAF O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1CC[C@H](O)c1ccc(F)cc1 28707543 HVGDTPPMOCOEIL-YTFSRNRJSA-N 409.432 4.461 0 1 HIAF O=C(Nc1ccc(F)cc1)c1cc(F)c(F)cc1NS(=O)(=O)c1cccc(F)c1 28870768 IFIDRMCTLDEPNG-UHFFFAOYSA-N 424.375 4.296 0 1 HIAF CC(=O)c1cccc(NC(=O)NCCCN2C[C@@H]3[C@@H](C[C@H]3c3ccc(F)cc3)C2)c1 29396017 NYGRPXGGKSTXDV-AJSBUHFISA-N 409.505 4.275 0 1 HIAF O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cccnc2-c2n[nH]cc2[C@@H]1C1CC1 45254523 YPKQTUNVSPGFJZ-SFHVURJKSA-N 420.416 4.151 0 1 HIAF COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 70459619 AHOINPWSEKBHAG-QHCPKHFHSA-N 421.522 4.007 0 1 HIAF CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccsc3)oc2C)cc1)C(=O)O 72108212 PGBLXKBJIYYRGZ-IBGZPJMESA-N 401.484 4.365 0 1 HIAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1)[C@@H](O)C3=O)C=CC(C)(C)O2 96903575 VRUKIMJALJVJOM-FCHUYYIVSA-N 422.477 4.468 0 1 HIAF biogenic,in-vitro O=C(N[C@@H](Cc1cccc2ccccc12)C(=O)Nc1ccncc1)C1CCCCC1 96931557 QQWJNBNFBWBZBF-QHCPKHFHSA-N 401.510 4.481 0 1 HIAF Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3C)cc2)cc1 100101486 VRTMUDJPMPQXRG-QEIWAGNOSA-N 418.562 4.099 0 1 HIAF COC1=C(OC)C[C@@H]2C(=C1)[C@@H]1c3cc(OC)c(OC)cc3C[C@@H]2N(CC2CC2)[C@@H]1C 100931714 VXGVAKNUJJSHAO-SMRGELHISA-N 411.542 4.277 0 1 HIAF CCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O 169633607 BZKPZZCBZNVVMB-REFGTHLASA-N 420.483 4.423 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccc(F)c(C)c1 261186387 XPFIFOZMEJAVHY-FQEVSTJZSA-N 422.456 4.459 0 1 HIAF O=C(NCCc1ccc(CNCCO)cc1)c1ccc(-c2ccc(Cl)cc2)cc1 473092808 SHPORECTDDNAJL-UHFFFAOYSA-N 408.929 4.061 0 1 HIAF CCOC(=O)Cc1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586900072 BEROSIMYBAUZLQ-UHFFFAOYSA-N 404.422 4.320 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586987155 UCBHECVQILAERN-JLCFBVMHSA-N 405.425 4.473 0 1 HIAF COc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1Cl 587000548 QKVRYYNMIZSQCW-UHFFFAOYSA-N 421.634 4.466 0 1 HIAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cnnc(O)c4[nH]3)cs2)cc1 587014069 IKVJPTDLQBUGSW-UHFFFAOYSA-N 424.486 4.120 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Br)cc4[nH]3)cc12 587036995 CPWADRCJEXDRIL-VIFPVBQESA-N 418.320 4.073 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3ccc(Br)c(F)c3[nH]2)C(F)(F)F)n1 587093915 HYMTYDDMQWHIGA-ZDUSSCGKSA-N 424.217 4.222 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145656 NCZAEQIKZZMHTL-UHFFFAOYSA-N 409.486 4.210 0 1 HIAF COc1ccc2c(n1)NCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351378 UHZWZXZSJODPIU-NFBKMPQASA-N 406.413 4.005 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(OC(F)(F)F)cc1)O2 587381252 DRDMYYYMTLIYES-IBGZPJMESA-N 408.376 4.229 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(C)cc1I)[C@@H](C2)C3=O 587428680 QBPMPKSJXMWHRA-IFXJQAMLSA-N 420.246 4.405 0 1 HIAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC 587596161 UXXXHIIDLZEDCW-GBXCKJPGSA-N 422.433 4.295 0 1 HIAF Cc1cc(C(F)(F)F)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587657868 CGYAXYGVBMXHDD-UHFFFAOYSA-N 400.335 4.309 0 1 HIAF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)nn1C 587720335 MRWNLDXTUIOJBH-WJWGPLDTSA-N 406.221 4.273 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587735212 XFTILGGSEFZGOG-MPBGBICISA-N 424.285 4.458 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(Cc3ccccc3)n2)N1 587763606 KLQFCVOCKJJPKP-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF COc1ccc(OC)c2c1CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587810551 SWTZAVWOOVKJBL-PRWKNARSSA-N 406.295 4.329 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587844179 KSASTKRGFQPSQE-GIGQVBGESA-N 421.335 4.430 0 1 HIAF CSc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(SC)n1 587847264 TUPGQZOYODPNPN-RTHLEPHNSA-N 414.369 4.446 0 1 HIAF COc1ccccc1-c1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O 587942304 VRLMYOFNSHQWID-UHFFFAOYSA-N 412.243 4.270 0 1 HIAF C[C@H](Oc1cccc(F)c1)[C@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695925 CQUNGQRVXKRFKY-NFSSXHDISA-N 415.358 4.265 0 1 HIAF CCOC(=O)CCC[C@@]1(c2cccc(Br)c2)NCCc2ccc(O)cc21 963343843 XHHPMJYMMBPSGY-NRFANRHFSA-N 418.331 4.277 0 1 HIAF O=C1c2ccccc2C(=O)N1CCCCN1[C@@H]2CC[C@@H]1CC(c1cccc(O)c1)C2 1772625376 LUWXMSPBOPXLBZ-WOJBJXKFSA-N 404.510 4.179 0 1 HIAF O=C1Cc2ccccc2CN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857754454 QXADTGVROHTMSZ-LJQANCHMSA-N 406.432 4.019 0 1 HIAF CC1=C[C@H](CNC(=O)c2ccco2)[C@@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 2356412228 LEPSFRJYIUKYEX-BHDDXSALSA-N 423.557 4.308 0 1 HIAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4208355 LKIKRFUYRAOTBB-JOCQJMSRSA-N 406.935 4.017 0 1 HIAF CC[C@H]1CCCCN1CCCNC(=O)[C@H](NC(=O)C1CCC(C)CC1)[C@H](C)CC 13573544 PQZWZSQBGGMYCO-DHCGTZGXSA-N 407.643 4.114 0 1 HIAF COC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C 13737424 XSYGBVSQKPLETJ-IVAOSVALSA-N 401.453 4.095 0 1 HIAF O=C(NC12CC3CC(CC(C3)C1)C2)OCCN1CCN(c2cccc(Cl)c2)CC1 13802829 LKKOEBHMKVASJW-UHFFFAOYSA-N 417.981 4.157 0 1 HIAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CN)ccc21 13982574 OQUBSWRUKJNEKC-UHFFFAOYSA-N 405.546 4.287 0 1 HIAF CCCCN1CC(=O)N2[C@@H](c3cccc(Cl)c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15956388 LFPAYPUPVJUEMY-OFNKIYASSA-N 421.928 4.306 0 1 HIAF biogenic O[C@H](Cc1cccc(I)c1)CN1CCC(c2ccccc2)CC1 26577528 UVPPXDJDDXLXTL-HXUWFJFHSA-N 421.322 4.074 0 1 HIAF CC[C@@H](c1ccc(C(F)(F)F)c(F)c1)n1c(C(=O)OC)c(C(=O)OC)[nH]c1=S 28339648 BGCOHZMNJQSDIL-NSHDSACASA-N 420.384 4.276 0 1 HIAF O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc2nonc2c1 43062155 ORCXUNHZJPYLDZ-UHFFFAOYSA-N 414.493 4.362 0 1 HIAF CN(Cc1nc2cccc(CCCN3CCCC3)c2[nH]1)[C@@H]1CCCc2cccnc21 45302877 JFCUMHNRFWTSSD-JOCHJYFZSA-N 403.574 4.496 0 1 HIAF CC[C@H](C)CNC(=O)c1cncc(-c2ccc(CN(C)C3CCN(C)CC3)cc2)c1 45324807 VPNFSCMJTRNDRE-IBGZPJMESA-N 408.590 4.051 0 1 HIAF CC(C)(C)NCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181474 VEPUUDZWFHIIQE-AWEZNQCLSA-N 423.401 4.284 0 1 HIAF CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2OC2CCNCC2)c(Cl)c1 95584964 QGOYRGYTEHBVKZ-UHFFFAOYSA-N 422.312 4.335 0 1 HIAF CCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95874472 WHIDLAPBXJGMLF-ZVTUWRPNSA-N 404.554 4.018 0 1 HIAF COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccc4c(c3)OCO4)cc2)c1 100105868 TVSQPBSMFMMQFL-QXSURTEESA-N 414.505 4.031 0 1 HIAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2C[C@@H]3CCC[C@@H](C2)C3)c1=O 100617120 WKPMMJFYKKQWLO-KLBVCGFUSA-N 421.541 4.231 0 1 HIAF COC[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)c1ccccc1 166863324 CGRJRDKJHCYDMK-HSZRJFAPSA-N 415.493 4.352 0 1 HIAF O=C(Cc1ccccc1C(F)(F)F)N1CCN(c2ncccc2C(F)(F)F)CC1 169348411 LOFVXWLOOPZBFS-UHFFFAOYSA-N 417.353 4.011 0 1 HIAF O=Nc1c([C@@H]2C(=O)Nc3ccc(I)cc32)[nH]c2ccccc12 169685115 ZJVHTWKAZJOGEG-CYBMUJFWSA-N 403.179 4.254 0 1 HIAF C[C@H]1CCC[C@H](C)C1COc1cc(F)c(C(=O)NS(=O)(=O)C2CC2)cc1Cl 207165122 QKIAAUILZUAVKM-RYUDHWBXSA-N 417.930 4.152 0 1 HIAF Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(C)c(Cl)cc2C)c1 261106411 HNSPFFKHAARBAV-IBGZPJMESA-N 420.962 4.365 0 1 HIAF CC(C)(C)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 587024056 MEWHHGHSAFYIRS-UHFFFAOYSA-N 406.515 4.345 0 1 HIAF COC(=O)c1ccc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2c1OC 587044426 BCELETDMOAKXNU-UHFFFAOYSA-N 411.241 4.349 0 1 HIAF O=c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cn1Cc1ccc(Cl)cc1Cl 587052382 RCWHHJIMXQOKRA-UHFFFAOYSA-N 406.660 4.142 0 1 HIAF CC1=C(c2ccc3nc(-c4cc(-n5cccc5)ccc4Cl)[nH]c3c2)NNC(=O)C1 587052799 NCUKNPXVUQHXCF-UHFFFAOYSA-N 403.873 4.430 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3cc(Br)ccc3c1=O)O2 587373408 VAYIXOISFDEREM-KRWDZBQOSA-N 400.228 4.153 0 1 HIAF COc1cc2c3c(c1)O[C@H](C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H](C2)C3=O 587433685 ULLNGSUAKQCIOZ-CEXWTWQISA-N 409.482 4.467 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCN(C(=O)OCc3ccccc3)C1)CC2=O 587474157 CRCDUZMTAPAPOK-HTAPYJJXSA-N 409.482 4.337 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546103 IJVHXWGNARCUGZ-HTAPYJJXSA-N 407.809 4.163 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C(=O)C2)N1 587768204 LMVMEQPRQVRBES-LHSJRXKWSA-N 417.322 4.140 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(C(=O)O)ccc32)N1 587827762 QSJNUEHGAPPWBS-YBTHPKLGSA-N 404.279 4.401 0 1 HIAF COc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccc(F)cc4)[nH]n3)S[C@@H]2C)cc1 653830240 TZGVQABFOBPYPG-GFCCVEGCSA-N 420.473 4.230 0 1 HIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3csc4cnc(Cl)nc34)N12 962657997 DURHHFNREVBJLL-DYESRHJHSA-N 424.913 4.081 0 1 HIAF O=C1CC2(CCOCC2)C[C@]2(C1)NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962960678 TZOJYABQODKOPY-QFIPXVFZSA-N 423.475 4.102 0 1 HIAF O[C@H]1C[C@H]2C[C@]3(C[C@H]1N2Cc1ccccc1)NCCc1c(Cl)cc(Cl)cc13 963110400 MVQUSDHMJYAYDN-HAFPXEGZSA-N 403.353 4.132 0 1 HIAF CN1CCc2c(Br)cccc2[C@]1(CO)c1c[nH]c2cccc(Cl)c12 963290122 UBLZDSAEKZUZLT-LJQANCHMSA-N 405.723 4.308 0 1 HIAF Cc1ccc(C(=O)NC2CCN(c3nc(C)cc(Nc4ccc(F)cc4)n3)CC2)cc1 1857637651 PGZRCJXXOPPAOC-UHFFFAOYSA-N 419.504 4.375 0 1 HIAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)[C@H]2[C@@](O)(C(C)C)CC[C@@]21C 2356331969 XGDKDBPCTUJBNO-CNSORXHKSA-N 416.514 4.003 0 1 HIAF O=C1[C@H]2C[C@@H](CN2Cc2ccc(Cl)cc2)Oc2ccccc2N1Cc1ccccn1 2356375138 RYWHIJADWOYPPX-RBBKRZOGSA-N 419.912 4.304 0 1 HIAF CCN(Cc1nc(-c2ccc(OC)cc2)oc1C)S(=O)(=O)c1ccc(C)cc1 8608197 BQAWRYUYQCQBJH-UHFFFAOYSA-N 400.500 4.178 0 1 HIAF COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OC(C)C)c34)O[C@@H]21 26148329 QPMSDLVPDBQHOL-QHCPKHFHSA-N 406.482 4.499 0 1 HIAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2-n2cnnc21)OCc1ccccc1 29482185 RBHJHXIYWNQBFW-JOCHJYFZSA-N 409.449 4.043 0 1 HIAF CCCC[C@]12C[C@@]1(C(=O)Nc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc12 34821606 WTKWKSURDRXGQX-FGZHOGPDSA-N 412.873 4.447 0 1 HIAF COc1ccc(CCN2c3cc(Cl)ccc3OS(=O)(=O)c3cccnc32)cc1 40430201 NBNQWYFPCIZADO-UHFFFAOYSA-N 416.886 4.206 0 1 HIAF O=c1c2c(C(F)(F)F)nccc2nc(-c2ccccc2O)n1CCc1ccccc1 43013620 AYVHZQHRKYCSSS-UHFFFAOYSA-N 411.383 4.426 0 1 HIAF COc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)N(Cc1ccccc1)C2=O 64512974 BXPDAUYFCWJXGR-UHFFFAOYSA-N 415.445 4.492 0 1 HIAF Cc1cc(NC2CCCCC2)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1 66066143 UAOUFXRAVCETFJ-UHFFFAOYSA-N 424.936 4.299 0 1 HIAF O=C(CNc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)NC[C@@H]1CCCO1 82193646 XNRHLVMESRPECV-IBGZPJMESA-N 409.511 4.310 0 1 HIAF O=C(c1ccc2ccccc2n1)N1CCC(Oc2ncccc2C2CCOCC2)CC1 96168932 XNIFOSLOSPCYBI-UHFFFAOYSA-N 417.509 4.207 0 1 HIAF CCn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c2ccccc21 96175247 AGCNVMQBGLWVOV-HNAYVOBHSA-N 419.550 4.335 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCCC[C@@H]1CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433591 SKUGJBLUKKKBDJ-DLYSWHJUSA-N 401.503 4.286 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)Cc4ccccc4)cc1)[C@@H](C2)C3=O 587447539 BPJCGQHPSKULLA-RDPSFJRHSA-N 420.486 4.158 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(F)c(Br)cc21 587471587 LFHWZYLVHIXUFS-LJQANCHMSA-N 420.234 4.059 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@]13CCN(C(=O)OC(C)(C)C)C3)CC2=O 587476575 VPHCAUOJDNQSCC-XZOQPEGZSA-N 401.503 4.470 0 1 HIAF C=CN1CCCC[C@@H]([C@@]2(c3cccnc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587477281 XCUYWDTUZPAZOW-NLFFAJNJSA-N 420.509 4.373 0 1 HIAF CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(CO2)CC(=O)c2ccc3c(c2O1)CCCC3 587519113 UQHKPHQPKUPNSE-DNQXCXABSA-N 413.514 4.069 0 1 HIAF CN(C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587572128 NTRHUNSYZFRBJD-ZJSXRUAMSA-N 403.434 4.166 0 1 HIAF CCOc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606144 BOPSGOIKHZNTSM-XUZZJYLKSA-N 404.418 4.431 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3cc(F)cc(F)n3)c(=O)c3ccccc23)c(O)c1 587667817 UDSJXJAPBGHAIO-UHFFFAOYSA-N 422.435 4.278 0 1 HIAF Cc1cc(C)cc(-n2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c1 587764828 RKIKKJWUEVNWKN-RNODOKPDSA-N 415.310 4.409 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3sc(N)nc32)N1 587858656 SLEMWICQOCHWRC-LZVRBXCZSA-N 410.356 4.377 0 1 HIAF CCN1C(C)=C[C@@]2(c3cc(OC)c(OC)cc3C[C@H](C)N2C)c2cc(C(=O)O)ccc21 962633981 POIAVLBQTSPOOU-ODCWNRFASA-N 422.525 4.266 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc3[nH]nc(Cl)c3c2)N1 962695964 DUMXVJFZWRTTBR-CABCVRRESA-N 413.758 4.063 0 1 HIAF NC(=O)N1CCc2sccc2[C@H]1c1ccccc1OCCCCN1CCCCC1 962711675 SRYJKJNRBPIROM-JOCHJYFZSA-N 413.587 4.419 0 1 HIAF CC(C)(C)OC(=O)N(C[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21)C(C)(C)C 962760477 FEVUJNZJPVKYNC-HZPDHXFCSA-N 414.468 4.409 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1cc3cccc(Br)c3o1)NCC2 962928075 GLUDHPKQBYIDQC-NRFANRHFSA-N 413.315 4.306 0 1 HIAF COc1ccccc1CC[C@@]1(c2ccccc2OC)NCCc2nc3ccccn3c21 962991455 WFHQHTKVCXKVAR-SANMLTNESA-N 413.521 4.374 0 1 HIAF CC(C)(C)OC(=O)Nc1cccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963224188 BLGYNUZPCOOYJN-LEWJYISDSA-N 419.481 4.270 0 1 HIAF Cc1cc2c(cc1O)[C@](C)(c1cc3cc(Br)ccc3o1)N[C@H](C(=O)O)C2 963552242 PKZLDOAUCJLKDE-MGPUTAFESA-N 416.271 4.072 0 1 HIAF COC(=O)[C@]1(C)[C@@H](OC(C)=O)CC[C@@]23CO[C@H]4c5occc5[C@H](C)[C@H](CC[C@@H]12)[C@H]43 1772600236 SUMTVDPJQJOEEB-AFUGUXIRSA-N 402.487 4.002 0 1 HIAF CC(C)(C)COc1nc(Cl)c[nH]c1=NS(=O)(=O)c1cccc(Cl)c1Cl 1857633582 NGVKSLHMLONRFQ-UHFFFAOYSA-N 424.737 4.084 0 1 HIAF NC(=O)c1c(F)ccc(OCc2cc(-c3ccc(Br)cc3)no2)c1F 1857654997 TTWLDYUTWIIGFZ-UHFFFAOYSA-N 409.186 4.060 0 1 HIAF CC(=O)O[C@@H]1CC[C@H](O)[C@@]23C[C@@H](C[C@H](OC=Cc4ccccc4)[C@]12C)C(C)(C)O3 2356636860 YHIPIHWCMHCVMP-KXXUDAHISA-N 400.515 4.093 0 1 HIAF CN1[C@H](C(=O)NCc2ccccc2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 36378256 QRAQLPHQVSZGDI-FASAQXTFSA-N 415.324 4.035 0 3 HIAF C[C@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCN1Cc1cc2ccccc2o1 61925965 QEGXUGSWZXCTFY-AREMUKBSSA-N 417.553 4.178 0 3 HIAF C[C@@]1(c2ccccc2)CC(=O)N(c2ccc(NC(=O)c3ccccn3)cc2Cl)C1=O 66113238 VVBFAZRDUJRAAU-QHCPKHFHSA-N 419.868 4.209 0 3 HIAF COc1ccc([C@@H]2[C@@H](C(=O)N3CCCC[C@@H]3C)CC(=O)N2c2ccc(OC)cc2)cc1 201457954 XUBBUXFQZRDFFX-OZWPHOJSSA-N 422.525 4.199 0 3 HIAF C[C@@H](Cc1cccnc1)NC1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1 12247593 ANKAIHCCFIHLHT-IBGZPJMESA-N 406.574 4.400 0 1 HIAF CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1ccc(CCC(=O)O)cc1 13738046 HYEXDGBYNKUCCI-UHFFFAOYSA-N 410.470 4.210 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)cc2C)[C@H]1Oc1ccc(C(=O)O)cc1 27212030 QBCDQVGDIQGNIK-QFIPXVFZSA-N 424.497 4.265 0 1 HIAF CCCCNC(=O)Nc1cccc(N(C)c2ncnc3cc(OC)c(OC)cc23)c1 64454148 PHGVLTDJNMYVHE-UHFFFAOYSA-N 409.490 4.337 0 1 HIAF COc1ccc(N2C[C@@H](C)[C@@H](CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 72136564 UKIIEMBBEIPALE-FZKQIMNGSA-N 417.303 4.085 0 1 HIAF COCCN1CCc2ccc(Nc3ncc4ccc(-c5ccccc5)n4n3)cc2CC1 72178638 LUZLOIYOYLEIRH-UHFFFAOYSA-N 413.525 4.187 0 1 HIAF CCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(OC)c3)cn1)C2 95591581 ORPUWYYUPKMKGV-UHFFFAOYSA-N 403.482 4.304 0 1 HIAF Cc1ccc(-c2csc(Nc3ccc(CCN4CC[C@H](O)C[C@@H]4CO)cc3)n2)cc1 96274033 XVUAWKMAHFBSFJ-YADHBBJMSA-N 423.582 4.222 0 1 HIAF O=C(CCCc1ccccc1)Nc1nc2ccc(Br)cc2c(=O)s1 96905578 CHIDPRFFMYMGQG-UHFFFAOYSA-N 403.301 4.380 0 1 HIAF CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 103542085 TYDXHROSPWGDPO-YDJIHCHBSA-N 405.458 4.062 0 1 HIAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(Br)cc1 104116412 BFNHUXJWSPRTLG-IDTYTIONSA-N 406.284 4.107 0 1 HIAF CCc1ccc([C@@H]2C[C@@H](NC(=O)Nc3ccccc3)CN(C(=O)N3CCCC3)C2)cc1 114342752 ZWCJKYIKDHSWMF-FYYLOGMGSA-N 420.557 4.444 0 1 HIAF c1cc2c(Nc3ccc4c(c3)OCCO4)nc3cc(-c4nnn[nH]4)ccc3c2s1 167716664 HLKNOGYGFMTWHD-UHFFFAOYSA-N 402.439 4.144 0 1 HIAF Nc1cnc(-c2ccc(-c3ccccc3CSc3ccc(N)nn3)cc2F)cn1 224734154 CLXKMZVHXPLDJF-UHFFFAOYSA-N 404.474 4.196 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCc5ccc(F)cc54)ncc23)ccn1 261186091 XLVRTKTXDYDXAY-GOSISDBHSA-N 402.433 4.276 0 1 HIAF Cc1cc(C(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C)cc2c[nH]nc12 473148670 GVBCUWFZVPUNCH-QMHKHESXSA-N 412.534 4.123 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3O)CCCC4)nc2c1 586897768 JHNANLHZVIJGFM-UHFFFAOYSA-N 401.260 4.363 0 1 HIAF CCCCc1cc(=O)oc2cc(OCc3nc4cnc(C(F)(F)F)[nH]c-4n3)ccc12 586919207 XDHGURZNUFBTKO-UHFFFAOYSA-N 418.375 4.351 0 1 HIAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)o1 586931178 NQDGFRGPDICFLS-UHFFFAOYSA-N 424.507 4.350 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2cccc(Br)c2[nH]1)C[C@H]1CCCO1 587195688 HIOVJNCXXQXUPR-GFCCVEGCSA-N 410.312 4.242 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCN3Cc4ccccc4N[C@H]32)[C@@H]1c1ccc(F)cc1 587348413 RQYBVONHAYRVHW-QLBJFCOMSA-N 416.452 4.287 0 1 HIAF CCOC(=O)c1ccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509333 CEZMTGAQRJHDCN-VWLOTQADSA-N 421.493 4.495 0 1 HIAF Cn1ccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587568940 GJYXAURYNJBTDB-ZJSXRUAMSA-N 416.408 4.170 0 1 HIAF COC(=O)[C@H](C)[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591422 GWRXKGRYOQIKTC-XUMWYHAOSA-N 418.445 4.144 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1N1CCCCC1 587597446 VGEYIGMTQRYKKV-NFBKMPQASA-N 402.450 4.480 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cn3cccn3)c2)N1 587761777 VYQGDCTVZVPAII-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587769963 BYAJLFWRUJOKCH-NVGCLXPQSA-N 413.331 4.421 0 1 HIAF COc1cc(OC)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805808 HVKABPFJFXHECA-YBTHPKLGSA-N 424.310 4.412 0 1 HIAF CON(C)C(=O)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 653918629 OCGHEKXYNBBMLI-HXUWFJFHSA-N 420.534 4.136 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(CCc3nc(Cl)ccc32)N1 963189854 NICVSQZCHTTWAO-SJCJKPOMSA-N 417.214 4.196 0 1 HIAF O=C1[C@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccc(F)c(Cl)c1 1772619809 FDBBJNOKPFRGFR-JRGCBEDISA-N 420.887 4.113 0 1 HIAF COc1cc(CC(=O)c2ccc3c(c2OC)CCC(C)(C)O3)cc(OC)c1OC 1857566890 OFPUSJCPAPFEGY-UHFFFAOYSA-N 400.471 4.250 0 1 HIAF O=C(C1CC1)N1CCN(CC2=C(Cl)c3ccc(-c4cccs4)nc3CC2)CC1 1857613045 HQFJJTGUBYKXKB-UHFFFAOYSA-N 413.974 4.260 0 1 HIAF CC(C)[C@H]1CCCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857647351 CDYWHQTYQFZHCV-QZTJIDSGSA-N 400.469 4.328 0 1 HIAF COc1ccc(-n2cc(CN[C@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)cc1 55131237 FLMCKRJBBZVXMN-MRXNPFEDSA-N 403.461 4.328 0 3 HIAF CC(=O)Nc1cccc(-c2csc([C@@H](NC(C)=O)c3ccc(F)c(F)c3)n2)c1 61907041 FECCORSNSOYYRB-IBGZPJMESA-N 401.438 4.272 0 3 HIAF O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCCN2C(=O)c2ccccc2)on1 61928215 NNVXTMVVXATXCR-HXUWFJFHSA-N 407.445 4.111 0 3 HIAF Cc1cccc(C)c1NC(=O)[C@H](C1CC1)N1/C(=C2\C=CC(=O)N=C2)Nc2ccccc21 199235368 PXIHLVHXZKGGHX-MPPWSMNASA-N 412.493 4.331 0 3 HIAF CN(C)c1ccc(NC(=O)N[C@@H]2CCCCN(Cc3ccc(Cl)cc3)C2=O)cc1 199717853 CJZAKRGDNSLHRL-HXUWFJFHSA-N 414.937 4.109 0 3 HIAF CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 5070439 QQKDGLWBCARLBX-GHTZIAJQSA-N 412.505 4.127 0 1 HIAF Cc1csc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4CC2)n1 13610218 CMQFHJOZZOTDIK-UHFFFAOYSA-N 404.499 4.285 0 1 HIAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccnc(Cl)c2)cc1 40867130 UABIVDZNEVHSRY-UHFFFAOYSA-N 401.797 4.010 0 1 HIAF COc1ccc2c(C3=C(c4cn(C)c5cc(Cl)c(F)cc45)C(=O)NC3=O)coc2c1 40951059 TZOVFWWQIHHPAB-UHFFFAOYSA-N 424.815 4.293 0 1 HIAF CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3cc(C(=O)O)n(O)c3c2)cc1 73163439 IIBXZDJLEPARRL-UHFFFAOYSA-N 422.462 4.069 0 1 HIAF C[C@@H](NC(=O)c1cc(-c2cnn(C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 84904197 SJNLAUPYSAFIFO-SECBINFHSA-N 408.264 4.001 0 1 HIAF O=C(Nc1ccncn1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 95552896 LZZNJYXLLFWCMG-UHFFFAOYSA-N 423.904 4.272 0 1 HIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3cccc(Br)c3)ccc12 96905446 KICRZHYHDHCLRE-LJQANCHMSA-N 415.312 4.378 0 1 HIAF COc1ccc(-c2nc(COc3ccc(F)c(C(N)=O)c3F)oc2C2CC2)cc1 103233815 FESFEGYAYLTRLS-UHFFFAOYSA-N 400.381 4.184 0 1 HIAF O=C(CCCCCCCCCCCCCCO)N[C@H](CO)Cc1ccc(O)cc1 103258199 BGARHGQVCIFGHK-QFIPXVFZSA-N 407.595 4.475 0 1 HIAF CC(C)C[C@H]1C(=O)N[C@@H](C2CCCC2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 103265379 VYCWPHNTGMJOCL-UXHICEINSA-N 413.493 4.026 0 1 HIAF O=c1[nH]c2ccc(OCCN3CCC(c4ccccc4)CC3)cc2c2c1CCCN2 118734242 YOXMATWWWZISQA-UHFFFAOYSA-N 403.526 4.145 0 1 HIAF CC(C)CC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CN(C)C)n4)cc23)c1 164809065 RRCLKKIMQJOLAT-UHFFFAOYSA-N 417.517 4.061 0 1 HIAF COc1ccc([C@H](N)CCCC[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 169328091 NLVVORBLCPHBPE-WOJBJXKFSA-N 414.546 4.168 0 1 HIAF CCCN(c1ncc(F)cn1)[C@@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1 203539282 SPOMEYVKAWSKFQ-OAHLLOKOSA-N 416.884 4.082 0 1 HIAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(Oc2ccccc2)cc1 221663104 ZVBJTYDCCGJGBT-RZQQEMMASA-N 420.469 4.148 0 1 HIAF COCCN1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@@H]2C1=O 254239057 WWPQRNIXPZCCMI-PVHGPHFFSA-N 408.542 4.443 0 1 HIAF CCC[C@@H](O)C1=CC(=C(Br)Br)N(Cc2ccccc2)C1=O 473157115 UBEOMGYQLFRWEL-CQSZACIVSA-N 415.125 4.075 0 1 HIAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccnc(N)c4[nH]3)c(=O)oc2c1C 586919078 YZLVBPSDCUCIIG-UHFFFAOYSA-N 404.470 4.199 0 1 HIAF COC(=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2n1 587002181 UVTYGVLXBFXAJG-UHFFFAOYSA-N 412.243 4.239 0 1 HIAF COC(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587024996 DLGGRSGQQCACNI-LZQZEXGQSA-N 423.538 4.486 0 1 HIAF COc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cn1 587030968 KJAKCGLPPLZDOP-BNDQCTAISA-N 401.517 4.093 0 1 HIAF CC(C)CCOc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1Br 587086374 HQJUCRCYWDVQLW-UHFFFAOYSA-N 410.703 4.443 0 1 HIAF N=C(N)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 587120143 UAQCFVNZCSQHMU-UHFFFAOYSA-N 421.386 4.242 0 1 HIAF C[C@@]1(c2nc3ccc(I)cc3[nH]2)C=C(c2ccccc2F)NO1 587155153 IGORUGJOTYKDBB-KRWDZBQOSA-N 421.213 4.098 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCCC3)cc1)CC2=O 587473998 DPQHNZIASWOAFG-QFIPXVFZSA-N 409.482 4.052 0 1 HIAF CN(CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OC(C)(C)C 587572418 PELURNWQAUBIBX-JPYJTQIMSA-N 413.470 4.370 0 1 HIAF Cc1cc(C)cc(-n2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c1 587582119 OIOGFIXXUOJJHK-URXFXBBRSA-N 413.433 4.293 0 1 HIAF CCOC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599729 ZJMHATHTUUMFOS-XUMWYHAOSA-N 418.445 4.449 0 1 HIAF C[C@H](Oc1ccc2c(c1)OCO2)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613568 YMUHTPHMDBZFIM-DRPSWDKDSA-N 420.417 4.309 0 1 HIAF CCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)n1 587716223 CTMKJCUXYKEOEC-CLAHSXSESA-N 406.221 4.447 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cnccn2)N1 587730993 GMMIKACYQXYHJH-YUNKPMOVSA-N 416.269 4.343 0 1 HIAF CCOC(=O)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc1C 587826600 FMMTVRPFYZZZNM-DGIBIBHMSA-N 410.283 4.464 0 1 HIAF CC(C)(CN1C(=O)c2ccccc2[C@H]1C(=O)NCCCC(F)F)c1ccc(F)cc1 653729279 YFEUJRWINHOSBK-FQEVSTJZSA-N 418.459 4.462 0 1 HIAF COc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)c3cc(OC)ccc3CCN2C(C)C)cc1 962091132 MVOKBSILAHTHFB-RUZDIDTESA-N 420.509 4.289 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1c(-c3ccco3)oc3ccc(O)cc13)NCC2 962923534 HXYSZDSGYLYVGC-JOCHJYFZSA-N 402.450 4.335 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]31CCCc2nc(Br)sc21 963034038 LDDGHUJCWIWINR-IBGZPJMESA-N 416.344 4.188 0 1 HIAF Cc1cc2c(cc1O)[C@]1(CCCc3nc(-c4ccccc4F)sc31)N[C@H](C(=O)O)C2 963529785 YBUXRHWVHZBDAN-MBSDFSHPSA-N 424.497 4.142 0 1 HIAF COc1cc(F)c(Nc2nccc(-c3ccc(F)cc3OC(C)C)n2)cc1C(N)=O 1857754685 HWXHRSCEACQBKJ-UHFFFAOYSA-N 414.412 4.060 0 1 HIAF CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1C(C)=O 1857772334 FRVSRNXLDKBEQV-MLHUJLNPSA-N 414.542 4.080 0 1 HIAF COC(=CC(=O)N1C(=O)C=C[C@H]1C)CC(=CCl)CNC(=O)CCCCC(C)(C)C 2356335328 XXFDGELVIZKSQK-MRXNPFEDSA-N 424.969 4.066 0 1 HIAF COc1cccc(CC2(CO)CCN(Cc3cnc(-c4cccc(C)c4)nc3)CC2)c1 11703611 TWHAOQRCZZEOPR-UHFFFAOYSA-N 417.553 4.278 0 3 HIAF O=C(NCCCN1CCCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4054191 CMYMUHYIOASOOD-RBBKRZOGSA-N 411.933 4.034 0 1 HIAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl)N1CCOCC1 4077484 LSKXHDZPNRLKQQ-MJGOQNOKSA-N 423.271 4.083 0 1 HIAF CN1CCC(N2C(=O)CN=C(c3cccc(Cl)c3)c3cc(Cl)ccc32)CC1 27764166 MFDMFRRPWZMPKC-UHFFFAOYSA-N 402.325 4.272 0 1 HIAF Cc1ccc(-c2ccc3c(c2)C(=O)c2ccccc2[C@@H]2[C@H](C(=O)O)[C@H](C(=O)O)[C@H]32)cc1 29207436 ZGXRPHUWXAFFDA-GSPCLOLRSA-N 412.441 4.489 0 1 HIAF OC[C@@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 36289115 CNPAPCMIYUFOOZ-OHSXHVKISA-N 402.582 4.221 0 1 HIAF O=C(NN1CCCCC1)c1nnn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 40933418 IUMFTXMOONFLEW-UHFFFAOYSA-N 416.312 4.372 0 1 HIAF COc1ccccc1N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72186253 KLODRAKJKIOXTR-QFIPXVFZSA-N 412.896 4.189 0 1 HIAF CCOP(=O)(OCC)C1=NC=CC=C[C@@H]1n1c(-c2ccccc2)nn(CC)c1=O 73371596 CYTHGQYKPZMCAD-KRWDZBQOSA-N 416.418 4.021 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccc(F)cc1 82141186 SJKSXXPREMDOPF-INIZCTEOSA-N 422.504 4.474 0 1 HIAF FC(F)(F)c1c(N2CCC(c3cccnc3)CC2)ccn2c(CC3CC3)nnc12 95571720 DNYZVTRSVHODOM-UHFFFAOYSA-N 401.436 4.480 0 1 HIAF O=C(CCc1nc2cc(Cl)ccc2c(=O)[nH]1)NC(c1ccccc1)c1ccccc1 103257158 CFNWKDVTXGPSEO-UHFFFAOYSA-N 417.896 4.415 0 1 HIAF CN(C)c1cc[n+](CCCCCCCCCCCCn2cnc3c(N)ncnc32)cc1 169327286 SYVXAVYPSYVQBO-UHFFFAOYSA-N 424.617 4.363 0 1 HIAF CCn1cc(-c2cnc3ccc(NC(=O)NCCCCc4ccccc4)nc3n2)cn1 169704079 GOJYPSLJBMWWEP-UHFFFAOYSA-N 415.501 4.053 0 1 HIAF COc1cc(-c2noc3c2CCC[C@H]3NCC(F)(F)F)ccc1-n1cnc(C)c1 205489917 NWEFVYYZGXWFDP-OAHLLOKOSA-N 406.408 4.374 0 1 HIAF CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 299887990 ZSLHVDZJIDYNJE-OAGGEKHMSA-N 411.506 4.380 0 1 HIAF C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473101484 JQWRZCNHUUIRBS-GFCCVEGCSA-N 403.269 4.385 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 586915814 ILPUFDHWGSACIK-ADLMAVQZSA-N 404.239 4.076 0 1 HIAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2)o1 586923472 MHQOVKWLUZKGRG-UHFFFAOYSA-N 424.526 4.447 0 1 HIAF CCOC(=O)c1c(N)oc(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988039 WGXOPMHFXONKCT-UHFFFAOYSA-N 414.417 4.479 0 1 HIAF O=C(Nc1sc2c(c1-c1nc3c(O)ncnc3[nH]1)CCC2)c1ccccc1Cl 587030457 DVNPPEGEIVDEJA-UHFFFAOYSA-N 411.874 4.181 0 1 HIAF O=S(=O)(Nc1ccsc1-c1nc2cc(Cl)cnc2[nH]1)c1ccc(F)cc1 587171115 YWPVOGHVZLBBKW-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF O=C(N[C@@H](c1ccccc1)c1nc2cncc(Br)c2[nH]1)c1ccccc1 587217190 BIPGQRVQBKGICC-KRWDZBQOSA-N 407.271 4.240 0 1 HIAF CC(C)COc1cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2cc1Br 587248552 TYFMLKNIDWFGOJ-UHFFFAOYSA-N 404.264 4.308 0 1 HIAF COc1cccc(-c2cc(CCN3CCN(C)CC3)nc3c2oc2ccccc23)c1 587363924 QSWPWFZSYOVVHW-UHFFFAOYSA-N 401.510 4.447 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1C(=O)OCC)CC2=O 587474992 JLMIYBADYRQKAF-NRFANRHFSA-N 420.465 4.414 0 1 HIAF COc1ccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660458 FWZKPFSSZUBVGL-UHFFFAOYSA-N 405.454 4.456 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCCc2ccccc2)N1 587756609 RIKXHWPUYXYVCH-SPLOXXLWSA-N 419.338 4.087 0 1 HIAF COc1ccc2c(c1)[C@@](c1ccncc1)(c1ccc(C(=O)O)cc1)N(C(C)C)CC2 962092128 PCYVRGWPDQBQKW-VWLOTQADSA-N 402.494 4.347 0 1 HIAF CC(=O)C[C@]1(c2ccc(Cl)cc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962628407 CMOQOIOWGIEMRV-ZEQRLZLVSA-N 422.912 4.210 0 1 HIAF C[C@@]1(c2c(F)cccc2N2CCOCC2)c2ccsc2CCN1Cc1cccnc1 963014220 RTUUHUTYCIEBJC-DEOSSOPVSA-N 423.557 4.441 0 1 HIAF Cc1ccc(Cl)cc1N=c1nc(C[C@@H](C)NC2CC(C)(C)NC(C)(C)C2)[nH]s1 1857764481 JGPDVMWPHBXHJP-CQSZACIVSA-N 422.042 4.495 0 1 HIAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356287096 ZBJPKZONOXOXDW-SCTDSRPQSA-N 421.520 4.319 0 1 HIAF Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)cc1C 1353515 RBLJSVGHCPKDIB-UHFFFAOYSA-N 422.558 4.000 0 3 HIAF C[C@@]1(C(=O)NCc2ccccc2Br)CON=C1c1ccc(Cl)cc1 768640 XTCUBCLLKZVRES-GOSISDBHSA-N 407.695 4.160 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4208358 LKIKRFUYRAOTBB-ZQINRCPSSA-N 406.935 4.017 0 1 HIAF C[C@H](CCC1=NCCN1)[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 5842728 DAXBTXDFKFXYMB-BJLOMENOSA-N 416.650 4.395 0 1 HIAF Cn1nc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2c1-c1ccccc1SC2 8587818 LDHJWGNMCDMEIM-UHFFFAOYSA-N 424.957 4.309 0 1 HIAF O=C1C[C@@H](c2ccccc2)c2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2)O3)O1 13382676 BQCMJSOAYSMFJF-FUHWJXTLSA-N 402.402 4.245 0 1 HIAF biogenic O=C(CCCN1CCN(CC[C@@H]2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1 22033040 WGYPNYKGDVKOAN-QFIPXVFZSA-N 422.544 4.242 0 1 HIAF COc1ccc(CCCN2C=CC=C3C2=Nc2cc(C)ccc2S(=O)(=O)N3C)cc1 28638377 BQVCKMVGJGYVRH-UHFFFAOYSA-N 423.538 4.014 0 1 HIAF C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1nc2ccc(F)cc2s1 38797536 GNOUYVAOSUDCCM-LLVKDONJSA-N 405.886 4.226 0 1 HIAF Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccncc3)O2)cc1 40763432 LGWLOZYJBIRIKR-PZJWPPBQSA-N 415.946 4.468 0 1 HIAF O=C(C1CCCC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccc(Cl)c1)C2 95869382 QGBYMXHBMWAIKV-XZOQPEGZSA-N 424.972 4.072 0 1 HIAF NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccc(Br)cc2-3)cc1 96174162 PBLWURBUULSHAI-UHFFFAOYSA-N 419.286 4.275 0 1 HIAF Cc1ccc2c(c1)O[C@H]1O[C@@]3(CC[C@@]21O)C(=O)O[C@@H]1C[C@@]2(C)CCC[C@H](C)C2=C[C@@H]13 169656917 KXDGWHCMPZXYPU-MXNHJBPMSA-N 410.510 4.148 0 1 HIAF NC1=N[C@@](c2cc(NC[C@@H]3C[C@H]3c3ccccc3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 220654437 LXUQPRSGZIRWPM-FECXXQJTSA-N 401.432 4.235 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cncc(C)c3[nH]1)C(=O)OC2 586915200 IDXUVZNEWHIDHX-XGICHPGQSA-N 407.470 4.081 0 1 HIAF Cc1cncc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 586967960 HWUJEFSUFOXYAY-GASCZTMLSA-N 420.542 4.115 0 1 HIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc(I)c2[nH]1 587068712 BRGAXIQUXVBHMI-NSHDSACASA-N 411.674 4.106 0 1 HIAF Cc1csc([C@](O)(Cc2nc3cc(C)c(Br)cc3[nH]2)C(F)(F)F)n1 587095142 YIINGTVCUQYTOY-CQSZACIVSA-N 420.254 4.391 0 1 HIAF CCCc1nc(-c2nc3c(O)c(Br)ccc3[nH]2)nn1-c1ccccc1F 587156784 RVUNGSZQCPQQKH-UHFFFAOYSA-N 416.254 4.370 0 1 HIAF COc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Cl 587185971 BPYNHETWOBFLMH-UHFFFAOYSA-N 424.629 4.144 0 1 HIAF C[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349942 QVXIMVMWFBQLJE-LADGPHEKSA-N 419.408 4.137 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1c(O)[nH]c4cc(Br)ccc14)[C@@H](C2)C3=O 587416561 DCZMLZMYJQVAID-KPZWWZAWSA-N 400.228 4.133 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C(CCC(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587422967 RWQLITNVASNVFH-AOMKIAJQSA-N 412.825 4.133 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1C1CCOCC1)[C@@H](C2)C3=O 587454398 TXRFATCCUAEEJB-MHECFPHRSA-N 410.466 4.095 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)NCc1ccc(Cl)cc1)CC2=O 587458607 AWHVPVLNMAPCGX-QFIPXVFZSA-N 401.890 4.429 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590760 ALMRWAXBOUJPIA-URXFXBBRSA-N 404.418 4.121 0 1 HIAF O=C(O)c1cccc2c(N3CCOCC3)c(-c3ccc(Br)cc3)[nH]c12 587637512 AVWZUORGIGEOKB-UHFFFAOYSA-N 401.260 4.132 0 1 HIAF O=c1c2cc(Cl)ccc2cnn1-c1ncccc1-c1nc(-c2ccc(F)cc2)no1 587651401 IUEAXTJSZVFGQX-UHFFFAOYSA-N 419.803 4.290 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2-n2cncn2)N1 587699315 SBYRUHVBPPVJSD-YPMLDQLKSA-N 421.701 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(Cl)ccc(F)c12 587734881 SFJMLHIGYYFIDW-BWKAKNAASA-N 413.649 4.111 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c2ccc(Cl)c1F 587739659 VJITWJKKODGYSG-SKLCBMLGSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)N1 587744681 SJCYCCVODRKFEZ-XNPNBVRTSA-N 413.331 4.395 0 1 HIAF CCOCCCN1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C1 587757676 BCFYIEKYMVBCKC-AVYPCKFXSA-N 413.375 4.086 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(C(=O)OC(C)(C)C)c2)N1 587762126 XGHOXNVFYZCPOS-HWPZZCPQSA-N 410.287 4.192 0 1 HIAF CC1=C(OC(=O)C(C)C)[C@]2(C=CO1)N[C@H](C)Cc1cc(Br)c(F)cc12 587836153 ZDCGPZQWPOBKOO-NSPYISDASA-N 410.283 4.292 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3nncn3C)o2)N1 587845313 QHZIOANUMKXXTA-XXFAHNHDSA-N 423.311 4.085 0 1 HIAF COc1ccc(Br)c(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1N 587873266 XDZSJJUJUFONGM-UHFFFAOYSA-N 418.222 4.031 0 1 HIAF CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12c1ccsc1CCN2Cc1ccco1 962711634 UEHQZPKPYPFZQI-KNQAVFIVSA-N 418.559 4.251 0 1 HIAF CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@@H]1NCCc3c1c(C(C)C)nn3C)CC2 962924176 WBQTXYWVJHUQRR-FQEVSTJZSA-N 417.937 4.405 0 1 HIAF O=C(O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cl)cc2)n1 1857766555 MVKDAFKALXUDKT-UHFFFAOYSA-N 401.875 4.288 0 1 HIAF CC(=O)Nc1ccc(SCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1 5935699 UNQYXZHYMWSZKE-UHFFFAOYSA-N 403.592 4.042 0 3 HIAF CC(=O)Oc1ccc([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(OC(C)=O)c1 12726398 MOXLQFRINKKXKS-KRWDZBQOSA-N 408.450 4.440 0 3 HIAF biogenic CC(C)(C)OC(=O)NCCNc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O 13535977 HUUYQUKEWGQKGJ-UHFFFAOYSA-N 410.449 4.476 0 1 HIAF CNc1cccc([C@@H]2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1 26175766 JZDXQXQFWMXKGG-QFIPXVFZSA-N 410.495 4.257 0 1 HIAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1Br)CC[C@H](c1ccccc1)O3 28867364 QTONVRKFGQITPT-MRXNPFEDSA-N 414.303 4.173 0 1 HIAF Cc1cccc2c(=O)[nH]c(C3=C[C@@H](N4CCN(c5ccc(Cl)cc5)CC4)CC3)nc12 28954783 QJKXVFJNFCANON-FQEVSTJZSA-N 420.944 4.253 0 1 HIAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(SC(F)(F)F)c2)cc1 45194138 YUTOIFCTFXRSRR-FZKQIMNGSA-N 413.461 4.339 0 1 HIAF Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2cccnc2n1-c1ccccc1 72180919 GPEHOBIPHPZDPZ-UHFFFAOYSA-N 412.493 4.172 0 1 HIAF CC[C@H](C)Nc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2ccc(F)cc2)n1 82140331 UAHFXRXOYMRLCL-AWEZNQCLSA-N 422.460 4.152 0 1 HIAF COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4C)ccc3n2)cc1 95587249 DEKASXFNFSDXEI-UHFFFAOYSA-N 413.481 4.120 0 1 HIAF COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cnc3ccccc3c2)C=C1C 98083535 LXAORVWCKKLIBB-VWLOTQADSA-N 400.478 4.327 0 1 HIAF COC1CCC2(CC1)Cc1ccc(-c3ccc4cc[nH]c4c3)cc1[C@@]21N=C(N)N(C)O1 139433378 MSKXYFUUPNXUFI-VZTJNBFISA-N 416.525 4.311 0 1 HIAF COc1ccc2c(OCc3nnc4ccc(-c5ncc(C)s5)cn34)ccnc2c1 166081893 OBEXMXPKTBIHED-UHFFFAOYSA-N 403.467 4.297 0 1 HIAF CNC(=O)c1ccccc1Nc1nc(Nc2cccc3ccoc23)nc2c1CCN2 221705114 JLXKKVXRHINYCX-UHFFFAOYSA-N 400.442 4.038 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccc(C)cc1 261122763 JUMPDNNHWUIVTJ-FQEVSTJZSA-N 404.466 4.320 0 1 HIAF COc1cc2c3c(c1O)-c1cc4c(cc1C[C@H]3N(C)C[C@H]2c1ccccc1)OCO4 473082083 GCHJSHYKQQLMEH-RBUKOAKNSA-N 401.462 4.471 0 1 HIAF O=C(O)c1cc(F)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001806 QRNCNXYXDODYOE-UPHRSURJSA-N 419.206 4.104 0 1 HIAF CCOc1ccccc1[C@](N)(c1nc2ccc(Br)cc2[nH]1)C(F)(F)F 587092415 MMGDYOXAYOMLHY-INIZCTEOSA-N 414.225 4.489 0 1 HIAF Cc1nc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2cc1Br 587120281 VVHIFLRSPGHQKU-UHFFFAOYSA-N 414.229 4.171 0 1 HIAF Fc1ccc(Br)c(-c2nnc(CCc3nc4cccc(F)c4[nH]3)o2)c1 587157931 PSUMDZOTMFAZMY-UHFFFAOYSA-N 405.202 4.439 0 1 HIAF O=C1CCc2cc3nc(/C=C\c4cccc(I)c4)[nH]c3cc2N1 587183841 JMTDLCNZADWDMU-XQRVVYSFSA-N 415.234 4.223 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)([C@H]2CCCNC2)[C@@H]1c1ccc(F)cc1 587349727 VLSMKHNYPHVEBR-YRSQORNKSA-N 418.468 4.180 0 1 HIAF CCO/C=C(\C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351442 UTRFTHWEORTUCH-YJQUNDCJSA-N 414.429 4.132 0 1 HIAF COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)cc1 587435473 HNXWCDDEJPDIFN-JPYJTQIMSA-N 401.418 4.033 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)C[C@@H]2F 587567036 BLPSTJLIWWIZCS-WRALFONMSA-N 419.452 4.337 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccccc2)no1 587656690 KRZALTXPIYMBCW-UHFFFAOYSA-N 402.360 4.381 0 1 HIAF CCOc1ccc(-c2nn(C(=O)c3ccco3)c(=O)c3ccccc23)cc1OCC 587668560 DELRMJKGGRHQIW-UHFFFAOYSA-N 404.422 4.142 0 1 HIAF CC[C@]1(c2ccc(OCC(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587790292 FMEYKLMDDSDENI-MPBGBICISA-N 422.294 4.239 0 1 HIAF CSc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(SC)n1 587847263 TUPGQZOYODPNPN-RMLUDKJBSA-N 414.369 4.446 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccnc(N(C)C)c1 587858888 ONGCUVCACGWBSC-UHFFFAOYSA-N 405.285 4.405 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNC(=O)OC(C)(C)C 587864301 JJTKMEZAJTXUPU-UHFFFAOYSA-N 413.396 4.133 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc(O)c(N)c1 587865271 ZYYVVXRYYUDFRL-UHFFFAOYSA-N 405.376 4.138 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1N1CCCC1 587869506 JDLGHRLAMHIFIE-UHFFFAOYSA-N 416.403 4.261 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(c1ccc(Oc3ncccn3)cc1)N(C)[C@@H](C)C2 962642738 ZTJIUXAPNKLCLU-FYSMJZIKSA-N 405.498 4.426 0 1 HIAF Cc1ccc2c(c1)[C@]1(CC(=O)O2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962645890 TVBRBPRRFHFXDX-AMGIVPHBSA-N 410.517 4.295 0 1 HIAF O=C(O)CCCC[C@@]1(c2ccc(C(F)(F)F)cc2)NCCc2nc3ccccn3c21 962992112 XMLRRUFYNJIGOJ-NRFANRHFSA-N 417.431 4.387 0 1 HIAF COc1c(OCC2CC2)ccc2c1CCN(Cc1ccc([C@@H](C)NC(C)=O)cc1)C2 1772573326 XVYYWXPSOFIJIS-QGZVFWFLSA-N 408.542 4.239 0 1 HIAF CCCSc1nc(Cl)c2c(n1)N(Cc1ccccc1)[C@@H](C(=O)NCC(C)C)N2 1857634717 JEXVCCLLSROSDB-SFHVURJKSA-N 419.982 4.163 0 1 HIAF Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)cc2N)cc1 592836 QHOIPAPLQLUOOJ-UHFFFAOYSA-N 422.485 4.370 0 1 HIAF COc1cc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc(OC)c1OC 1857431 FEBSVSFPRPFEKI-UHFFFAOYSA-N 423.347 4.116 0 1 HIAF Cc1ccc(NC(=O)Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)c(Cl)c1 8604944 XSZSRSDLMIZNHY-UHFFFAOYSA-N 420.900 4.311 0 1 HIAF C=Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 13732900 SOORZBPYQXHESS-QHCPKHFHSA-N 410.477 4.291 0 1 HIAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)Nc1nccs1 25430196 OHKDPOZTMZRPON-CABCVRRESA-N 402.520 4.061 0 1 HIAF biogenic O=C1/C(=C/c2ccc(O)cc2)N=C2C(Cc3ccccc3)=NC(c3ccc(O)cc3)=CN12 39132458 GXSAVXXAPZMOAN-HAHDFKILSA-N 421.456 4.375 0 1 HIAF CN(C)CCOc1cc(-c2cn[nH]c2)cc2sc([C@H]3COc4ccccc4C3)nc12 49036030 ZGUUKCRQBSGXTR-QGZVFWFLSA-N 420.538 4.346 0 1 HIAF COc1c2c(cc3c1-c1c(cc4c(c1O)OCO4)[C@H](OC)[C@@H](C)[C@@H](C)C3)OCO2 95585915 QONYZAZOQAUUCL-ZHYXMNDGSA-N 400.427 4.041 0 1 HIAF Cc1sc(Nc2ccc3c(c2)OCO3)nc1C(=O)N1CCc2ncccc2[C@H]1C 96283020 XCECBBSCBREWRA-GFCCVEGCSA-N 408.483 4.078 0 1 HIAF COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccccc2)cc1 96286185 QEQGIVVMPNNCOY-LCUIJRPUSA-N 400.434 4.309 0 1 HIAF CCCCn1c(-c2ccc(F)cc2)c(CCN2CCN(c3ccccc3)CC2)oc1=O 96901642 SVODBGOHTOUHOZ-UHFFFAOYSA-N 423.532 4.412 0 1 HIAF O=C(O)[C@H]1CCCN(CCO/C=C/c2cc(F)ccc2Cc2cccc(F)c2)C1 96923953 HWWDMQPINOYECK-ZBWUASRJSA-N 401.453 4.340 0 1 HIAF O=C(O)[C@H]1CCN(c2ccc(C[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)C1=O 101503362 NPWDCPUYWLSXFG-XZOQPEGZSA-N 413.473 4.333 0 1 HIAF C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@](CCC(N)=O)(c2ccccc2)OC1=O 114916338 UBVAEGUKNXDROT-OYHNWAKOSA-N 418.440 4.352 0 1 HIAF CC(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697198 FGGHQCCTGDDYGV-PUZFROQSSA-N 400.563 4.316 0 1 HIAF CCOC(=O)[C@@H]1C(C)=NC(=O)N(C)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729866 XFYUVWXNUSVPAY-NHCUHLMSSA-N 410.470 4.021 0 1 HIAF COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(C[S@@](C)(=N)=O)c2)ncc1F 206895349 NSJOYQIOHVHMCZ-LJAQVGFWSA-N 422.432 4.490 0 1 HIAF O=C(O)c1cnccc1NC(=O)N1C[C@H]2C[C@@H](c3ccccc3C(F)(F)F)C[C@H]2C1 299832626 JZWRBLGQVCTHKC-ZSOGYDGISA-N 419.403 4.456 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 299879080 KFEHDMUCZNJERV-GMKZXUHWSA-N 408.542 4.420 0 1 HIAF CCS(=O)(=O)c1cccc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 586922356 LVIIMMXMWSPSBU-UHFFFAOYSA-N 418.824 4.499 0 1 HIAF CN1CCN(c2ccc3nc(-c4csc(-c5ncccc5Cl)n4)[nH]c3c2)CC1 587017196 HVEUWRBBIFUJRV-UHFFFAOYSA-N 410.934 4.154 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(CO)cc3[nH]2)c1 587049591 RLCWKGCHHNLCBI-UHFFFAOYSA-N 414.893 4.019 0 1 HIAF O=S(=O)(O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064265 HEMKZRQIXXYEBX-UHFFFAOYSA-N 404.831 4.302 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@H]4C(F)(F)F)[nH]c3c2)cc1 587093985 XJYMUCRIRSOQLQ-KBPBESRZSA-N 411.405 4.038 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc2F)c1 587143822 LMRGTAGKPJVIQK-UHFFFAOYSA-N 404.401 4.027 0 1 HIAF N[C@H](Cc1ccc(I)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 587183165 BHNMSTLIEQLQAQ-GFCCVEGCSA-N 415.637 4.203 0 1 HIAF CCOC(=O)[C@H](C(C)C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345372 FHKSDQBYAWHORE-MIZPHKNDSA-N 400.446 4.484 0 1 HIAF COCC[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361414 YLLSRYXHHORVGP-FYYLOGMGSA-N 400.446 4.092 0 1 HIAF CCOC(=O)COc1ccc2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587398871 GAQODVSDEZEINL-NRFANRHFSA-N 405.450 4.379 0 1 HIAF CCc1cc(=O)oc2cc(O[C@H](C)[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc12 587410602 YRUKOFPEKWWIPR-JBEBIEQOSA-N 407.466 4.437 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](N=O)C(=O)Nc1ccc(C)cc1C)CC2=O 587468321 FBZIKPCBWIHELI-GMAHTHKFSA-N 410.470 4.459 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 587483789 DOZNXHFPIRUHQN-NPGVVQFXSA-N 401.503 4.468 0 1 HIAF Cc1cc(Br)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587497180 LCYJGFFFDQFTAX-OAQYLSRUSA-N 412.283 4.449 0 1 HIAF CN(C(=O)OC(C)(C)C)C(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571442 KTJKDAVXAQBWAA-YLJYHZDGSA-N 413.470 4.368 0 1 HIAF COc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573099 ROTQDRGFQXYNHR-XTCZTEAPSA-N 417.461 4.333 0 1 HIAF Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2Cn2cncn2)cc1 587622509 CDEIGUBOMFPFRQ-UHFFFAOYSA-N 407.275 4.422 0 1 HIAF CCn1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C(F)(F)F 587713933 OMUZRHWFJGGBNU-RTHLEPHNSA-N 406.221 4.447 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)sc3c2CCOC3)N1 587857299 ZNRJISORBBOTSU-NIVTXAMTSA-N 411.340 4.102 0 1 HIAF CCOC(=O)c1ccc([C@@]2(C3CC3)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962575912 WJXSRCRREPZQKS-IVCQMTBJSA-N 409.526 4.411 0 1 HIAF C[C@@]12CC[C@@]3(C=C1CCCC2=O)c1ccccc1C[C@]1(C2CCC2)C(=O)NC(=O)N13 962662605 IRJYSRLAOKGYCZ-SDHSZQHLSA-N 404.510 4.008 0 1 HIAF Cc1cc(C)cc([C@]2(CCCC(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962727817 BASIIPMBLDOIDE-KNQAVFIVSA-N 419.443 4.448 0 1 HIAF COc1cc2c(cc1OC)[C@@](C)(c1csc(C)n1)N(C(=O)c1ccccc1N)CC2 963159975 UJIKFFNUZFOGNQ-QHCPKHFHSA-N 423.538 4.013 0 1 HIAF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3ncc(C)cc3C)CC1)C2 1238433470 PFSOXGQUNSMPSU-FQEVSTJZSA-N 408.542 4.373 0 1 HIAF O=C(N[C@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccccc2F)cc1 1857546038 PLNKYYLWVNSVKS-HSZRJFAPSA-N 413.452 4.371 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCCF)cc21 1857585655 UOVFVUVQVCPPMU-UHFFFAOYSA-N 417.484 4.040 0 1 HIAF Cc1cc(=O)c(O)cn1Cc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O 1857587155 JAIRNBOQHCTTLS-UHFFFAOYSA-N 423.852 4.249 0 1 HIAF CC[C@H](C)C=C(C)C=CC1=CC2=C(Cl)[C@H](O)[C@]3(C)OC(=O)[C@H](C(C)=O)[C@@H]3C2=CO1 2356444830 KLSDJLUKJAUCQO-OWVCGBKRSA-N 418.917 4.337 0 1 HIAF CC(C)C[C@@]1(C(=O)NCCc2c[nH]c3ccccc23)C=CCN1C(=O)c1ccccc1 7992731 ZDCKRWIBMKUEAB-AREMUKBSSA-N 415.537 4.324 0 3 HIAF CCOC(=O)C1=C(COc2ccccc2)NC(=O)N[C@@H]1c1ccc2ccccc2c1 13125911 AJYLPGRFBNFDOA-JOCHJYFZSA-N 402.450 4.090 0 3 HIAF C[C@@]1(C(=O)Nc2ccc(Cl)cc2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61906429 AXPJSNBGUWPGMH-QFIPXVFZSA-N 408.841 4.463 0 3 HIAF CN1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12 13607561 HJRBYTHOWGFPSH-KRWDZBQOSA-N 403.935 4.259 0 1 HIAF COc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCCO)c13)CNC2=O 40393014 SRZPGKHRQCVEAS-UHFFFAOYSA-N 412.489 4.195 0 1 HIAF COc1ccc2c(OCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1 40953281 VGGVRYBMGLIVTI-UHFFFAOYSA-N 419.391 4.205 0 1 HIAF CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(F)cc2)CC[C@H](N(C)C)C1 60326005 KRPCTINTZHMCJG-HNNXBMFYSA-N 418.559 4.158 0 1 HIAF Fc1cccc(CNc2ncnc3c2nc(-c2ccccc2)n3C[C@@H]2CCCO2)c1 82181419 WBHYRMMLIVCTBA-IBGZPJMESA-N 403.461 4.424 0 1 HIAF c1ccc(CCCNc2ncnc3c2nc(C2CC2)n3CCN2CCCCC2)cc1 82181773 STWJDJFVUDROAI-UHFFFAOYSA-N 404.562 4.234 0 1 HIAF COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OCCF)cc2C)c1=O 95554720 UDVJEHYWSILYSV-INIZCTEOSA-N 409.889 4.203 0 1 HIAF O=C(N[C@@H]1CCCC[C@H]1O)c1cc(-c2ccc(Cl)cc2)c(OCC2CC2)cn1 103247951 XISMBMNCAOYBFD-UYAOXDASSA-N 400.906 4.224 0 1 HIAF O=C(O)C[C@@H]1NCCc2c1[nH]c1ccc(OCc3cccc(OC(F)(F)F)c3)cc21 114896377 XSKYHUWGLCRQFU-SFHVURJKSA-N 420.387 4.307 0 1 HIAF COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCCC3)c12 117799061 JUZPJZSDHMNYSS-UHFFFAOYSA-N 421.884 4.478 0 1 HIAF NC(=O)C1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 149664967 WVVHNLMQBRBRGZ-DTYDVHMXSA-N 403.448 4.257 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1ccc(C)cc1 261150458 OTPTYIBAECXLLF-IBGZPJMESA-N 408.429 4.151 0 1 HIAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cnc3ccccc3c2[nH]1 586954007 XLKKMXQHBZWQKG-UHFFFAOYSA-N 407.480 4.035 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 587162263 UWFWKNZMUULQKQ-UHFFFAOYSA-N 421.661 4.128 0 1 HIAF O=c1c(-c2nc3cc(Br)ncc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170569 DEMARZSMKDSSQP-UHFFFAOYSA-N 417.213 4.315 0 1 HIAF C[C@@H](c1nc2cc(N)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199726 LSDAVOOKTKVRQO-AWEZNQCLSA-N 413.481 4.482 0 1 HIAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1C 587240231 RMGUVWGTEILYPW-XZRIDHLOSA-N 415.534 4.435 0 1 HIAF O=C1C[C@H](c2ccccc2OCCN2CCCC2=O)Oc2c1ccc1c2CCCC1 587513108 HOIVXVPPFSVLCX-HSZRJFAPSA-N 405.494 4.273 0 1 HIAF C[C@H](C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)NC(=O)OC(C)(C)C 587572721 QIUREONMILYSCH-XZRIDHLOSA-N 413.470 4.416 0 1 HIAF CC(C)(C)OC(=O)N[C@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582289 ZLVNPUJTRUCIKK-IGMHASDESA-N 411.454 4.170 0 1 HIAF CC1(C)CC(=O)C(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)C1 587603298 LRSACPKTZMNRSB-HYBUGGRVSA-N 408.450 4.077 0 1 HIAF COc1ccccc1O[C@@H](C)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867265 ANCHBIKXCDTLFU-LBPRGKRZSA-N 421.375 4.089 0 1 HIAF O=C(c1ccccc1I)n1nc2cc1Oc1ccc(F)cc1-2 587874116 UTLDVXJJTSKBSH-UHFFFAOYSA-N 406.154 4.088 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(C=COC(C(F)(F)F)=C2)N1 963206838 YYLRFEDRFKQBKI-LKFCYVNXSA-N 413.701 4.143 0 1 HIAF CN(c1ccccc1)c1ccc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cn1 963230166 LQIYUGRGHDWLJN-LADGPHEKSA-N 410.477 4.086 0 1 HIAF O=C(NC1CCCCC1)[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 1857751622 GIWFADKKUVMLGD-DEOSSOPVSA-N 416.525 4.089 0 1 HIAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 1911572693 GOHYUTQRLFALLQ-JOCHJYFZSA-N 417.461 4.229 0 1 HIAF CC1=CC(=O)O[C@]1(O)C=C[C@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@@H]3C(C)(C)CCC[C@@]23C)O1 2356653738 JDGXUUFIFAKRTF-QVZSQEFTSA-N 418.574 4.276 0 1 HIAF COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 2487424 QWXIFFLXGWKVRV-OAQYLSRUSA-N 416.562 4.236 0 1 HIAF CNC(=S)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 4347029 CRPVDGGNNPFUCM-FQEVSTJZSA-N 423.582 4.319 0 1 HIAF CC(C)(C)NC(=O)c1ccccc1/C=C/[C@@H](O)Cc1ccccc1C(=O)NC(C)(C)C 5885583 ZMJMEUBMSJAGCT-UHPIZROJSA-N 422.569 4.360 0 1 HIAF CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc21 13682477 GKPAWDQEYZGYEO-LJQANCHMSA-N 417.864 4.272 0 1 HIAF CO[C@@H](C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCc2cccs2)C[C@@H]1C 26728587 JIKKIUARYBEXPE-ZWOKBUDYSA-N 404.551 4.208 0 1 HIAF O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 29545914 YOFLOABAUVPEIB-UHFFFAOYSA-N 418.368 4.485 0 1 HIAF CCN(CCCCCC(F)F)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 40465992 HIOTUWOWMABMNE-GOSISDBHSA-N 406.539 4.019 0 1 HIAF COC(=O)[C@@H](Cc1c(CC=C(C)C)[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O 64446899 GFRLMLBTWXKTHN-JOCHJYFZSA-N 416.477 4.057 0 1 HIAF C[C@H]1Oc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn(c23)[C@@H]1c1ccccc1 95555440 FXXPMGSAZPNOGM-ZHRRBRCNSA-N 402.494 4.434 0 1 HIAF CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccc2)[C@@H]1CO 95877677 XCJZUGBCQYNSGZ-BUALBWRZSA-N 412.533 4.297 0 1 HIAF COc1ccc([C@H]2C=CCN(C(=O)C3CC3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 102854769 XAPQFFOIGCFEJL-UZUQRXQVSA-N 422.500 4.101 0 1 HIAF CCc1c(C)sc2ncnc(N3CCC(COCC[C@H]4CCCN4C)CC3)c12 146568360 LBDIZRVNQSNAMU-GOSISDBHSA-N 402.608 4.279 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ncc(OC[C@@H]4CC4(F)F)cc3F)C2)cc1 149937017 LXIAUMJNBXDACX-UGSOOPFHSA-N 419.447 4.056 0 1 HIAF O=C(Nc1cc(-c2noc(C3CC(F)(F)C3)n2)ccc1F)c1cnc2ccccn12 206125352 XCXUYGGKVTVWJA-UHFFFAOYSA-N 413.359 4.288 0 1 HIAF CC(C)(COc1ncc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)nc2)cc1F)C(=O)O 218551423 CQTCIPZZGFPWMU-UHFFFAOYSA-N 424.354 4.181 0 1 HIAF Cc1ccc(NC(=O)c2nccnc2C(=O)Nc2ccccc2-c2ccncc2)cc1 299821727 GIZFRCJURWRAFE-UHFFFAOYSA-N 409.449 4.352 0 1 HIAF C[C@@H]1CN(c2ccc(F)cc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473097888 DEYTYOJBAMNYIF-LLVKDONJSA-N 404.804 4.010 0 1 HIAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C)cc(Br)c2[nH]1)C(C)C 586933109 MUFHZLSWCDYVLO-AWEZNQCLSA-N 402.358 4.050 0 1 HIAF Nc1ccc(N2CCOCC2)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987415 APPFYKGTGBOZQC-UHFFFAOYSA-N 423.472 4.238 0 1 HIAF COc1cnc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1Cl 587065405 ZAZHWROZLYBXNS-UHFFFAOYSA-N 418.476 4.207 0 1 HIAF CN(C)/C=C/[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335043 JCXWFBSKBVBYSS-QLDHNVCTSA-N 404.441 4.256 0 1 HIAF CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587379039 RJDMZTGQHPNRNE-JTSKRJEESA-N 401.890 4.377 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)Cc3ccccc3)cc1)O2 587409339 LNMBGJSGIKVEHM-JOCHJYFZSA-N 407.491 4.258 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCc4c(Br)ccc(OC)c41)[C@@H](C2)C3=O 587417233 KDIJANCFQIKMNI-RNODOKPDSA-N 401.256 4.055 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@H]1CN2C(=O)OCc1ccccc1 587483412 CMXHBVPPNWWNAL-YYULODDRSA-N 421.493 4.480 0 1 HIAF CC(C)([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N1CCN(Cc2ccccc2)CC1 587515162 QOXOUWCHVOHXNW-VWLOTQADSA-N 418.581 4.496 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2cnn(C)c2)N1 587733630 RKAOETYMERITOE-ODXCJYRJSA-N 418.285 4.287 0 1 HIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1NC(C)=O 587745137 VFZWSAAPAPKEBV-YBTHPKLGSA-N 421.310 4.353 0 1 HIAF CCOCCOCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587779297 YQMIRSRKVUTYJU-UHFFFAOYSA-N 405.292 4.458 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCC(=O)O)cc2)N1 587791388 IAXKSJBHMVVVQW-FKIZINRSSA-N 422.294 4.239 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCCC(=O)O)c2)N1 587797019 VDRHRSSYXIAYHW-FKIZINRSSA-N 422.294 4.455 0 1 HIAF COc1cc(C)cc2c1OCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587836402 UGZHHNYJNWEPSM-YUNKPMOVSA-N 406.295 4.466 0 1 HIAF Cc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ncsc3C)cc1Cl)C2=O 653695794 JRTBXHFCVXORRC-UHFFFAOYSA-N 411.870 4.466 0 1 HIAF CN[C@H](C)[C@@]1(c2ccc(OC)cc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962706939 MUPPRYBFKOPXKN-JTUHZDRVSA-N 400.563 4.049 0 1 HIAF CCOC(=O)CCC[C@]1(c2cccc(Br)c2)NCCc2ccc(O)cc21 963343844 XHHPMJYMMBPSGY-OAQYLSRUSA-N 418.331 4.277 0 1 HIAF CC[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963610395 OZXVPXZVULQKKH-FCORRRHLSA-N 404.551 4.243 0 1 HIAF Cc1ccc([C@@]2(CCO)CC(c3ccncc3)=NN2C(=O)Nc2ccc(F)cc2)cc1 1772593346 FABVFBWUQYJEHO-XMMPIXPASA-N 418.472 4.449 0 1 HIAF c1cncc(-c2cc(N3CCC(N4CCCCC4)CC3)nc(-c3ccncc3)n2)c1 1857618420 BOFCVCZVPHYENU-UHFFFAOYSA-N 400.530 4.055 0 1 HIAF C[C@H](CCCCCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 2356345372 PHSQDXKUQRUWOG-JXDTVZCFSA-N 400.556 4.180 0 1 HIAF CC(=CCCC(=CC[C@@H](O)C1=CC(=O)O[C@H]1O)CO)CCC1=C(C)CCCC1(C)C 2356421459 KSNNYMFBQQASJN-ISKFKSNPSA-N 418.574 4.491 0 1 HIAF COc1ccc(CO[C@@H]2O[C@H](OCc3ccc4c(c3)OCO4)[C@H](C)[C@H]2C)cc1OC 2356510152 OSEQANKLJOXPBT-NVWBMTOISA-N 416.470 4.121 0 1 HIAF CC=CC=CC[C@@H]1C[C@@H]2C=CC(C)=C[C@@H]3C=C[C@H](O)[C@H](O)[C@H]3C(C)=CC=C[C@@H]2C(=O)N1 2356529834 UIBDXMJAGQYGAG-JTBCDZSXSA-N 421.581 4.172 0 1 HIAF CC1=CC(=O)O[C@]1(O)C=C[C@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@@H]3C(C)(C)CCC[C@]23C)O1 2356653739 JDGXUUFIFAKRTF-UFJCGYRJSA-N 418.574 4.276 0 1 HIAF C[C@@]1(C(=O)Nc2ccccc2Br)CCN1C(=O)Cc1ccccc1Cl 61898623 URDXGHQMXLJEKJ-IBGZPJMESA-N 421.722 4.275 0 3 HIAF COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)cc1F 2481015 GPIFAVHGFIBPCO-UHFFFAOYSA-N 404.825 4.186 0 1 HIAF Cc1ccnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)c1 4793807 WLZGARCMSDGRQK-DNQXCXABSA-N 424.504 4.431 0 1 HIAF CC(=O)c1cc2c3c(c1)c(CCN1CCN(c4cc(C)ccn4)CC1)c(C)n3CCC2 13740430 JHOQNLMBQDEZJK-UHFFFAOYSA-N 416.569 4.167 0 1 HIAF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1OC)[C@@H](O)[C@@]1(C)CCCN1C3 14593903 GLTPZLWULMGGJK-DNQXCXABSA-N 409.482 4.126 0 1 HIAF biogenic CC(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1 14944985 PZCCLKSEMKLKJW-UHFFFAOYSA-N 410.521 4.332 0 1 HIAF CSc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1 28893189 XYYGFCDTBHAUSN-XMMPIXPASA-N 412.599 4.087 0 1 HIAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccc(OC)c(OC)c1)CCCC3 28968841 QBNTZYZRSZBWJU-UHFFFAOYSA-N 421.497 4.260 0 1 HIAF CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(C(=O)Cc1cccc(OC)c1)CC2 66167266 QSVWQWOLHDIYPA-QGZVFWFLSA-N 408.542 4.021 0 1 HIAF CCC(CC)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCNC(C)=O 82188814 GNXKPFGAJVVMIA-INIZCTEOSA-N 408.550 4.082 0 1 HIAF Cc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)nc1 84614845 NSBIALIUYQEBEH-UHFFFAOYSA-N 413.525 4.226 0 1 HIAF Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4nnnn4C=N[C@@H]32)cc1 98083200 KVUHESOFOLRHJU-ISKFKSNPSA-N 404.477 4.370 0 1 HIAF CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(C(F)(F)F)nn32)cc1OC 102486494 OFZXMOVBMDFXCD-MRXNPFEDSA-N 408.380 4.376 0 1 HIAF CCCCCCN1C[C@H]2[C@@H](C1)[C@]2(C)c1cccc(NS(=O)(=O)c2cccnc2)c1 102949383 WYKMFEQACYTFHA-JKHIJQBDSA-N 413.587 4.282 0 1 HIAF CC(C)N(C(=O)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)C(C)C 103179577 XDDMKWYRGORSKM-UHFFFAOYSA-N 403.429 4.186 0 1 HIAF Cc1cc(OC[C@@H]2CCC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)ccc1F 118680015 CFMVZRSEANQYHW-RTBURBONSA-N 422.504 4.425 0 1 HIAF CSc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167919062 QWTOOLCRHZFPAQ-UHFFFAOYSA-N 405.523 4.214 0 1 HIAF CC[C@H]1OC(=O)N(c2ccc(N3CCOCC3)c(F)c2)[C@@H]1c1ccc(OC)cc1 169338415 DFTZSNPFJNMUTD-NHCUHLMSSA-N 400.450 4.147 0 1 HIAF N[C@H]1CC[C@H](Nc2nc(NCc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1 253637731 JTVILUUAQWQWBK-IYARVYRRSA-N 405.550 4.235 0 1 HIAF in-vivo O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(Cl)cc1 299836547 NOJLTMKHIVSHFR-IBGZPJMESA-N 415.921 4.138 0 1 HIAF NC(=O)c1ccccc1OCCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987688 QMOHNUNZGBFPNE-UHFFFAOYSA-N 424.456 4.262 0 1 HIAF CC(C)(C)OC(=O)N[C@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586988092 YJDKXIMWIYWSHJ-GFCCVEGCSA-N 402.450 4.144 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587084900 ITOHOXUKRRRUEB-UHFFFAOYSA-N 414.918 4.462 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587085894 MSJBQYQGJBJHJZ-UHFFFAOYSA-N 414.918 4.462 0 1 HIAF FC(F)(F)c1ccc(-c2nc3c(Cl)ncnc3[nH]2)c(I)c1 587179597 YXNMNVCHKPCGKN-UHFFFAOYSA-N 424.551 4.297 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2nc(Cl)ccc2[nH]1 587181444 QVXMNNQCKBCYRX-ZETCQYMHSA-N 401.639 4.050 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccnc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239166 ISOYEOYVERUFKT-YZIJFISFSA-N 406.914 4.166 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328122 AXDJMOLDRZTZIR-URXFXBBRSA-N 424.399 4.488 0 1 HIAF Cc1nc2c(Cl)cccc2c(Cl)c1CCc1ccc2c(O)nc(O)nc2n1 587369049 SCBOOHGLGLHAEU-UHFFFAOYSA-N 401.253 4.385 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(O)cc2OC[C@@H]1c1ccc(O)cc1 587413956 UNRZCUWDKXLGDE-DVECYGJZSA-N 403.434 4.025 0 1 HIAF CCOC(=O)COc1ccc2ccccc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439197 KJGBHBKOKAYKMU-IQGLISFBSA-N 418.445 4.279 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C 587519158 VNVXAFLVOGOJMB-HKUYNNGSSA-N 401.503 4.271 0 1 HIAF C[C@]1(c2cc(Br)ccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540539 PEZUBLQFGXXXOV-FXAWDEMLSA-N 412.239 4.427 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(Cc1ccc3c(c1)OCO3)C2 587612045 TWIXABXDHUIDNK-DWLSMQEQSA-N 416.429 4.474 0 1 HIAF COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587809543 QYAAKKXBIJGRML-ODXCJYRJSA-N 422.294 4.239 0 1 HIAF CSc1ncc2c(n1)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587844242 LDJJIXPVVGZNQX-YPMLDQLKSA-N 408.340 4.214 0 1 HIAF CCCN(CCC)CCc1cccc2c1[C@@]1(NCCc3ccc(F)c(C)c31)C(=O)N2 962095993 ZACHYDZOFMHANL-RUZDIDTESA-N 409.549 4.140 0 1 HIAF CCOc1cc(F)c([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c(F)c1 962630625 FHTUAABYPANZAS-REWPJTCUSA-N 412.436 4.100 0 1 HIAF Cc1ccnc([C@@]2(c3ccccc3Br)NCCc3nc4ccccn4c32)c1 962982754 KAJVYNVHCHBRST-JOCHJYFZSA-N 419.326 4.238 0 1 HIAF N=c1[nH]cc(-c2ccc(F)cc2)n1CCCCCn1c(-c2ccc(F)cc2)c[nH]c1=N 1857756169 IIOGGXRSDFYODE-UHFFFAOYSA-N 422.483 4.387 0 1 HIAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 2356289968 FHIOIMHEWSBFKY-QGZVFWFLSA-N 404.388 4.385 0 1 HIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCCC(=O)O 2356732874 CFRBBWPHUQTQFD-QHAWAJNXSA-N 423.594 4.401 0 1 HIAF COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 774002 XBODQLPXOFVHRW-OALUTQOASA-N 422.481 4.059 0 1 HIAF CC1(C)SCN(CCCCN2CCN(c3csc4cc(F)ccc34)CC2)C1=O 13759439 RXOKXSSCLCWBFA-UHFFFAOYSA-N 421.607 4.254 0 1 HIAF CC1(C)CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(F)cc21 28886386 CSIRVBQGCZSQNO-JOCHJYFZSA-N 407.533 4.367 0 1 HIAF CCCCc1ccc(CN(c2ccc(CCCC(=O)O)cc2)S(C)(=O)=O)cc1 43074077 HPSJSGKFRUZCFJ-UHFFFAOYSA-N 403.544 4.403 0 1 HIAF COc1cc2ncnc(N3CCN[C@H](c4cc(Cl)ccc4Cl)C3)c2cc1OC 43193797 KIOKPJQKQIEGPJ-KRWDZBQOSA-N 419.312 4.105 0 1 HIAF Cc1cc(CN2Cc3ccccc3[C@@H]2C(=O)Nc2ccccc2)ccc1OCC(=O)O 66261876 BAKWHMVZRMLABP-XMMPIXPASA-N 416.477 4.154 0 1 HIAF CCCc1ccc(-c2noc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 68267265 MWIFWDFPCPUHJU-UHFFFAOYSA-N 404.466 4.370 0 1 HIAF C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@@H]2[C@H]1CCOC1)[C@H](O)[C@@H]1OC[C@]2(C)CCC(=O)[C@@]3(C)[C@@H]12 95592822 ARKGGIVBWHHQPU-HMVAFRBISA-N 414.586 4.157 0 1 HIAF O=C(Nc1ccc(Br)cc1)c1ccccc1Cn1ccc2ncnc-2c1 100062190 KISSVOWSNQEXSF-UHFFFAOYSA-N 407.271 4.446 0 1 HIAF CCCC[C@](C)(O)[C@H]1C[C@]2(C)C=C[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 103197531 NBXXYUJPXCRTQC-RSTQGYKPSA-N 409.570 4.175 0 1 HIAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cncnc2[nH]1)C(F)(F)F 103250819 RSMAEJMIEPTWJC-LJQANCHMSA-N 411.399 4.309 0 1 HIAF O=C(c1ccccc1-c1cccnc1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 116827096 HNGPNDUPZZQYMH-YADARESESA-N 421.504 4.043 0 1 HIAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(Cl)ccc43)cccc21 143399983 OZDVMEWSDVYDEW-MRXNPFEDSA-N 414.893 4.423 0 1 HIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC[C@H](C)O)no2)cc1C#N 202707681 FBXBFQOUAAFYCM-YCRPNKLZSA-N 418.497 4.020 0 1 HIAF Cn1cc(C(=O)N2CCOc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3C2)cn1 206195046 GAWJPDBFCNUFJB-UHFFFAOYSA-N 417.387 4.021 0 1 HIAF CC(C)C(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(CO)C(=O)O)[C@@H]2CC[C@H]1C3 207584638 FSQYXTHPPSJGNG-NWFWWTBRSA-N 406.563 4.272 0 1 HIAF O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1cccc2ccncc12 220235831 YIYIHOOPTATGMR-UHFFFAOYSA-N 424.507 4.023 0 1 HIAF COc1ccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)c3ccccc3Cl)n2)cc1 261070954 ACAPWWHONLBUQA-FQEVSTJZSA-N 410.857 4.356 0 1 HIAF Nc1nc(N)c2c(n1)N[C@@H](c1sc(Cl)nc1Cl)CC(c1ccccc1)=N2 299870862 WYUKCGZVMOYEDC-SECBINFHSA-N 406.302 4.082 0 1 HIAF CC[C@@H]1CCCCN1C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988233 NQMHICGDHAGZLO-MRXNPFEDSA-N 400.478 4.485 0 1 HIAF O[C@H](c1ccc(Br)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 586998013 VZLAMBGPBYGGAH-LLVKDONJSA-N 417.488 4.218 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587109759 NGKMRBCJORFRDB-UHFFFAOYSA-N 415.412 4.418 0 1 HIAF COc1cc(-c2nc3cc(Br)c(F)cc3[nH]2)nn1-c1ccccc1F 587156833 SKLWQPAMLLGHHF-UHFFFAOYSA-N 405.202 4.465 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2c1 587164723 ZNTSERYUHPEQDN-KRWDZBQOSA-N 420.282 4.292 0 1 HIAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1C 587240230 RMGUVWGTEILYPW-PIFXAOAFSA-N 415.534 4.435 0 1 HIAF CCn1cc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587334765 YOQFBLKRZHUCOL-WIYYLYMNSA-N 402.372 4.267 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C1)[C@@H](C2)C3=O 587442371 IOXROGAEORFDMY-YRUKQIKQSA-N 413.514 4.383 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)NC3CC3)c3ccccc13)CC2=O 587474376 CVGMVBWHPBGLRU-HSZRJFAPSA-N 418.493 4.285 0 1 HIAF CCOC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587521480 IAWCTEILUKEDAF-NRFANRHFSA-N 410.466 4.222 0 1 HIAF CC[C@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596697 QYUVVNVCDHLOBL-ZJSXRUAMSA-N 420.417 4.123 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587702286 WFUUDOVXEJHSBB-NIVTXAMTSA-N 409.686 4.280 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(N3CCOCC3)c2)N1 587716070 ITQXLSQIIXOQCM-MPBGBICISA-N 423.301 4.188 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)nn2C)N1 587721820 QDPVWXKUGOUDEO-ANRSDYALSA-N 406.221 4.138 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587745173 VPCBJLXVONUHGY-GIPWTMENSA-N 419.294 4.107 0 1 HIAF COc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587745489 WHDCTSMTNAJDMS-MPBGBICISA-N 421.310 4.375 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSCC(=O)O)(c2ccccc2)N1 587849021 YQRKCUVEGDCTDB-BUXKBTBVSA-N 424.335 4.184 0 1 HIAF CC(C)c1cn2cccc(-c3nnc(C4CCN(CC5CCOCC5)CC4)o3)c2n1 1857640515 HDHGCJGOXINBMI-UHFFFAOYSA-N 409.534 4.114 0 1 HIAF COc1cc(C=Cc2cccc(O)c2)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](O)C2 2356397690 QJARFBWPVJNMLR-DHLKQENFSA-N 420.461 4.323 0 1 HIAF CC=Cc1cc(OC)c(O[C@@H](C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356397893 KDGYLZNIUHEJCM-AWEZNQCLSA-N 416.470 4.413 0 1 HIAF CCCC(=O)O[C@]1(C)CCC=C(C)C[C@H]2O[C@H]1[C@@H]1[C@H]3C[C@@H](OC[C@@H]3C)[C@@](C)(O)[C@H]21 2356485016 PJCYPUODMUBESE-CUBCEYNSSA-N 406.563 4.024 0 1 HIAF COc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4OC)CC3)CC2)cc1 3955879 KLIFQLKWFWFJIZ-UHFFFAOYSA-N 408.542 4.222 0 1 HIAF CC1(C)C[C@@H](NC[C@H]2CCCO2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 5070448 QQKDGLWBCARLBX-WIYYLYMNSA-N 412.505 4.127 0 1 HIAF O=C(COc1cc(F)cc(F)c1)N(c1ccc(Cl)c(Cl)c1)C1CCNCC1 13437323 JIRPCGSGAFSCJQ-UHFFFAOYSA-N 415.267 4.436 0 1 HIAF C[C@H](c1cccc(F)c1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492048 RWJGSFQTPGMYOF-CQSZACIVSA-N 406.436 4.499 0 1 HIAF CCOc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1 13780394 SACUASDNQZLHAU-UHFFFAOYSA-N 401.478 4.181 0 1 HIAF Cc1cccc(N2CCN(CCCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1C 27739161 MSMRKJNOOINZHV-UHFFFAOYSA-N 405.542 4.126 0 1 HIAF Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(N(C)C)cc3)cc2c1 66262214 XOQARHLGYKVQIT-UHFFFAOYSA-N 415.493 4.338 0 1 HIAF Cc1ccccc1CNc1ncnc2c1nc(-c1ccoc1)n2CC[C@H]1CCCN1C 82180247 AYEAUTMSXBPRLC-HXUWFJFHSA-N 416.529 4.491 0 1 HIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cc(OC)ccc2OC)cs1 82195529 MXCLPTPPOYFGLI-SFHVURJKSA-N 403.548 4.103 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccccc2)C1 95565115 AVGFUUPGJLCPBB-UHFFFAOYSA-N 406.795 4.273 0 1 HIAF O=C(O)[C@H]1CCCN(CCO/C=C\c2ccc(F)cc2Cc2ccc(F)cc2)C1 96923643 CKGRYFOTNXJPRK-ADYPVZHUSA-N 401.453 4.340 0 1 HIAF O=C(Nc1cc(Cl)ccc1O[C@H]1CC[C@@H](O)CC1)c1csc2cncnc12 113654408 MUYFQIQEBJQOGI-JOCQHMNTSA-N 403.891 4.279 0 1 HIAF Cc1nn(Cc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)c(C)c1CC(=O)O 141786773 NWBKXAUKDQVTDY-KPKJPENVSA-N 423.900 4.481 0 1 HIAF CCCCCCOc1ccc(C(=O)N[C@H](C)C(=O)N[C@H]2CCc3ccccc3C2)cc1 148953623 KESXWGDGUNIUTR-XXBNENTESA-N 422.569 4.438 0 1 HIAF C=C(Br)C(=O)Nc1cccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)c1 169348572 IBNHVLNGDDROIB-VMPITWQZSA-N 407.214 4.464 0 1 HIAF CNc1nnc(-c2ccc3[nH]cc(-c4cccc(N5CCCCC5=O)n4)c3c2)s1 204773281 HHKWNBHZPMNYAO-UHFFFAOYSA-N 404.499 4.307 0 1 HIAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21 254128281 KCGXXRBMPRXFSA-AYMQEEERSA-N 406.448 4.348 0 1 HIAF C[C@@H]([C@@H]1C[C@@H]1C(=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@@]12C 299848611 SPBCVLSZAPVLJN-XVEXZHDXSA-N 404.591 4.334 0 1 HIAF OCC12CCC(c3nc4c(Br)cnc(Br)c4[nH]3)(CC1)CC2 586895286 DEGUBOOKLGMUFH-UHFFFAOYSA-N 415.129 4.067 0 1 HIAF COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1C 586986353 WRPBAJWQUUVQBI-OAHLLOKOSA-N 402.292 4.062 0 1 HIAF COC(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328629 BDPUPEBOUOIIFC-UPVQGACJSA-N 424.399 4.488 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)([C@@H]2CCCNC2)[C@H]1c1ccc(F)cc1 587349717 VLSMKHNYPHVEBR-LAMXGVLKSA-N 418.468 4.180 0 1 HIAF O=C(O)c1ccc2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355825 WMLMTLIMOCRIAL-ZJSXRUAMSA-N 404.393 4.430 0 1 HIAF C[C@]1(c2cccc(NC(N)=S)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378472 VLWAGXPIOZJDLX-NFBKMPQASA-N 422.481 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ncnc1N1CCCCC1)CC2=O 587463325 WVMFJJSTTBTESW-QGZVFWFLSA-N 401.894 4.485 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(CS(=O)(=O)c1ccc(Cl)cc1)CC2=O 587490390 XKIYYYCIPRMWOQ-FQEVSTJZSA-N 408.903 4.196 0 1 HIAF CCn1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C(F)(F)F 587554068 GSOAFDMCNSCOFE-YJBOKZPZSA-N 404.344 4.330 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1c(Cl)ncnc1Cl 587555031 ZCSOUYNOWWKWGF-GJZGRUSLSA-N 403.221 4.062 0 1 HIAF CCOc1nc2sccn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619080 QOOUEVVMTDHSSO-KXBFYZLASA-N 408.435 4.203 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2ccc(C(F)(F)F)n2)N1 587719661 LLZMWAMTWPHJMB-VFZGTOFNSA-N 406.221 4.253 0 1 HIAF COC(=O)Cc1ccccc1-c1nc2cc(Br)c(Br)cc2[nH]1 587783574 VCILOECEXZYOLS-UHFFFAOYSA-N 424.092 4.470 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccnc(N(C)C)c1 587864487 KUFZINIGKKVPNG-UHFFFAOYSA-N 404.392 4.117 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCc1ccc(F)cc1 587867368 CFZGGILOZXCYNE-UHFFFAOYSA-N 410.396 4.034 0 1 HIAF Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1ccnc(Br)c1 587941930 ZDKVQFHJMSLNCD-UHFFFAOYSA-N 410.065 4.476 0 1 HIAF Cc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3ncsc3C)cc1Cl)C2=O 653690536 VVJYHLKAUNCNJC-UHFFFAOYSA-N 411.870 4.466 0 1 HIAF Cc1nc(Nc2ccc(F)cc2)sc1[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962917421 GXPHBBKCTYDYPU-LAUBAEHRSA-N 415.465 4.336 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(C=COC(C(F)(F)F)=C2)N1 963206844 YYLRFEDRFKQBKI-XPTSAGLGSA-N 413.701 4.143 0 1 HIAF Cc1c(C(=O)NCCc2ccc(N3CCC[C@H]3C)cc2)[nH]c2ccc(Cl)cc2c1=O 1772620643 ULGZDMBMOUGUKI-OAHLLOKOSA-N 423.944 4.451 0 1 HIAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c(Cl)[nH]1 1857593398 KQYAFMWEDHOIBF-OAHLLOKOSA-N 422.316 4.326 0 1 HIAF CCCCCc1c(Oc2cc(O)cc3cc(C)oc(=O)c23)c(O)cc(O)c1C(=O)O 2356545809 OXHUZASLEVIXEX-UHFFFAOYSA-N 414.410 4.441 0 1 HIAF N[C@@H](Cc1ccc(F)cc1)c1csc(Nc2cc(NCc3ccco3)ncn2)n1 61903508 KSFUQVKXEYQXQU-INIZCTEOSA-N 410.478 4.263 0 3 HIAF O=C1N[C@@H](Cc2ccccc2)c2nc3cc(Cl)ccc3c(=O)n2-c2ccccc21 61949336 XTPRNCAUEKRMLQ-IBGZPJMESA-N 401.853 4.066 0 3 HIAF COc1cc(OCc2ccc3oc(=O)c(-c4ccccc4)nc3c2)cc(OC)c1OC 1641913 KYHWBKGXMRMORI-UHFFFAOYSA-N 419.433 4.460 0 1 HIAF CC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358322 PFMGKNXOXIEXRB-CQSZACIVSA-N 409.404 4.297 0 1 HIAF O=C1C[C@@H](c2ccc(O)cc2)c2c(cc3c(c2O)C(=O)C[C@H](c2ccccc2)O3)O1 13382671 ZDCISPDGWCQAIP-FUHWJXTLSA-N 402.402 4.245 0 1 HIAF biogenic CCOCn1nnc(-c2ccnc(NCc3ccccc3)n2)c1-c1ccc(F)cc1 13489726 BNVUCBHJTACDCC-UHFFFAOYSA-N 404.449 4.147 0 1 HIAF COC(=O)C[C@H]1c2ccccc2C=C(/C=C/c2ccc3c(c2)OCO3)N1C(=O)OC 13817893 BADWNVHEGXMHGT-XSBJJCPUSA-N 407.422 4.156 0 1 HIAF N=C(N)c1cccc([C@H]2Oc3ccccc3N(CCCCCN3CCCCC3)C2=O)c1 13834517 BSUGZKLIRUEXFN-HSZRJFAPSA-N 420.557 4.094 0 1 HIAF CCc1nc(-c2nc(/C=C/[C@H](OC)[C@@H](C)/C(=C\C(=O)OC)OC)cs2)cs1 14588202 SJCBHNAYTHVEQH-RPKNRIRISA-N 408.545 4.197 0 1 HIAF O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1 14974782 ULYHZZIABNHYBC-UHFFFAOYSA-N 416.911 4.279 0 1 HIAF CCN(CC)C(=O)N(C)C[C@H](O)c1cccc(OCc2nc3ccccc3s2)c1 26183190 YAXDDYBKRXOVIR-IBGZPJMESA-N 413.543 4.302 0 1 HIAF COc1ccc(N2CC=C(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 40567627 GNYOCTRDIDPLTH-UHFFFAOYSA-N 410.489 4.129 0 1 HIAF CC1=C(CC/C(C)=C/CC/C(=C\C[C@H](O)C2=CC(=O)O[C@@H]2O)CO)C(C)(C)CCC1 40943462 KSNNYMFBQQASJN-LCDKTSCWSA-N 418.574 4.491 0 1 HIAF in-vitro CC(C)CNC(=O)c1cnc(NCCCN2CCCC[C@@H]2C)nc1Nc1ccccc1 45301466 VNSYIBMATINOQH-IBGZPJMESA-N 424.593 4.282 0 1 HIAF Cc1ccc(CNCC2(F)CCN(C(=O)c3scc4c3CCCC4)CC2)nc1 64527408 ZCUHXGWCTFAAEK-UHFFFAOYSA-N 401.551 4.064 0 1 HIAF O=C(Cc1cccc2ncccc12)Nc1scc(Br)c1-c1ncn[nH]1 66078016 IHBXLESUKAAQDQ-UHFFFAOYSA-N 414.288 4.025 0 1 HIAF CCOc1cc(CCNc2cncc(Oc3cccc(NC(C)=O)c3)n2)ccc1OC 82068674 RRGZAPOGWODNBC-UHFFFAOYSA-N 422.485 4.289 0 1 HIAF COCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 82147054 SFZXCDVQXQADOE-OFCAXSSNSA-N 422.573 4.311 0 1 HIAF COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc(OC)c1O 104081791 NNIYGXHMPILXSI-IBGZPJMESA-N 401.459 4.169 0 1 HIAF Cc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 116910457 WJTORBMPONUBOD-HXUWFJFHSA-N 402.372 4.112 0 1 HIAF Cc1nc(N[C@H](C)c2cccc(-n3cnnn3)c2)cc(-c2ccc3ncsc3c2)n1 143453688 GOLKXCKNXDSHEM-CYBMUJFWSA-N 414.498 4.211 0 1 HIAF OCCCCOc1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144847003 JTEUHXLQXWHWGA-NRFANRHFSA-N 416.399 4.074 0 1 HIAF CCCc1ccccc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167019878 QNKXZFFXJDCXKC-UHFFFAOYSA-N 401.510 4.444 0 1 HIAF O=S(=O)(c1ccc(Cl)s1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1ccccc1)C2 169346249 WWBXWWWAZYGPBG-ZQIUZPCESA-N 419.959 4.359 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@H]3CCCCC3=O)CN(C)[C@@H]1C2 169356134 HFQSQNJGOYLPPV-DYJCROTPSA-N 408.542 4.237 0 1 HIAF Cc1c(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)cccc1C(F)(F)F 226097289 FUEAMKMSQWBPNG-XHDPSFHLSA-N 419.432 4.088 0 1 HIAF CC(=O)OC[C@]1(CCc2ccoc2)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)[C@@H]1CCC(=O)[C@@H]2C 238776614 XBYCJKDFLVTAQP-TXVCOTEQSA-N 418.530 4.355 0 1 HIAF O=S(=O)(NCCc1nc2cc(Cl)cc(F)c2[nH]1)c1c(Cl)cccc1Cl 586942762 ITWUOTLLJMNUNH-UHFFFAOYSA-N 422.696 4.183 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(C(C)(C)SCC(=O)O)[nH]c4c3)o2)cc1 586959389 MTYUKPQYNKOEBA-UHFFFAOYSA-N 424.482 4.341 0 1 HIAF CN1CCc2c(sc(N)c2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586992911 AOVUHFPJNXWYBE-UHFFFAOYSA-N 413.502 4.450 0 1 HIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(O)ncnc2[nH]1 587086394 IRDPWVPQCVVXOO-VOTSOKGWSA-N 401.257 4.089 0 1 HIAF CN1C(=O)[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21 587107937 XCOQPXDUSAHFMX-HSZRJFAPSA-N 404.425 4.389 0 1 HIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2N1 587124750 CHYGEEPONDOCAV-INWYIAFRSA-N 401.295 4.055 0 1 HIAF O=C(O)c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1F 587183255 WFPKEQBWHVKIFC-UHFFFAOYSA-N 416.577 4.325 0 1 HIAF COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587353702 RVKKVYNXOAYQCQ-ZJSXRUAMSA-N 422.408 4.298 0 1 HIAF CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587379038 RJDMZTGQHPNRNE-HTAPYJJXSA-N 401.890 4.377 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1CS(=O)(=O)c1ccccc1)O2 587408656 HOAZJSSQSWRPBY-QFIPXVFZSA-N 407.491 4.258 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC[C@@H]4CCCCO4)c(F)c1)[C@@H](C2)C3=O 587425687 GIORLMOHGVLZHC-READRUSDSA-N 412.457 4.445 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2-n2cncn2)N1 587693045 CFSMVULUDXXMAA-XTZNXHDOSA-N 421.701 4.446 0 1 HIAF CC(C)N1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587772874 XOFCRHUTRSJQGE-FKIZINRSSA-N 403.295 4.121 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3cnn(C)c3)cs2)N1 587853261 LTLXYDGIKZOQTG-FVMDXXJSSA-N 407.312 4.069 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNC(=O)OC(C)(C)C 587858345 FXEKOZQZMRBLED-UHFFFAOYSA-N 414.289 4.421 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C)cc1C 587868216 XSDVTYJZCBOUEP-UHFFFAOYSA-N 405.376 4.309 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(Nc3nn[nH]n3)C[C@H](CC(C)C)C2)N1 962944258 HLAHQHQVPYSGGI-NXHTTZLHSA-N 405.550 4.253 0 1 HIAF CC(C)(C)OC(=O)Nc1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963224194 BLGYNUZPCOOYJN-SFTDATJTSA-N 419.481 4.270 0 1 HIAF c1ccc(-c2nnn3c2[C@H]2c4ccccc4CCN2Cc2cc4c(cc2-3)OCO4)cc1 1857539565 BFALXMMZPFIRMR-XMMPIXPASA-N 408.461 4.124 0 1 HIAF O=C(/C(=C/c1ccccc1Cl)c1ccc(F)cc1)N1CCN(c2ncccn2)CC1 1857761824 ULEGDUQNJKQJQN-CAPFRKAQSA-N 422.891 4.159 0 1 HIAF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@@H]3C=CC4=C(COC4=O)[C@]32C)cc1 2356519831 QUYNMBZRMCYARM-BPYKYCOYSA-N 408.494 4.486 0 1 HIAF Cc1nc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)cc2nc1C 2356627892 ZNUGWCWQMPYCJR-NBMBROAQSA-N 416.569 4.282 0 1 HIAF O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)on1 61906527 FXJNNWJPDWJYEF-GOSISDBHSA-N 413.493 4.030 0 3 HIAF COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H]1CCCC[C@@H]1O 775032 LROLYOMONVFRGO-ROUUACIJSA-N 410.445 4.190 0 1 HIAF CCOC(=O)c1csc(-c2nc(CCNC(=O)c3ccccc3)sc2Cl)n1 1634788 WFQKJYKRNLIUCT-UHFFFAOYSA-N 421.931 4.069 0 1 HIAF COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 2492531 HMHLBKPPMGOGNB-QFIPXVFZSA-N 422.525 4.369 0 1 HIAF Cc1c(C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)oc2ccc(S(=O)(=O)N3CCCC3)cc12 4597982 PYOQMXCODHVKSE-VCBZYWHSSA-N 418.559 4.080 0 1 HIAF c1ccc(-c2ccc3c(-c4ccnc(Nc5ccc6c(c5)OCCO6)n4)cnn3n2)cc1 13582651 HJWJIQIDROUCNV-UHFFFAOYSA-N 422.448 4.368 0 1 HIAF Clc1cccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c12 13674824 MHRUHQSEUXHBOR-UHFFFAOYSA-N 411.933 4.347 0 1 HIAF CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncccc1O 13832858 AWDKWQFKDSFMRN-UHFFFAOYSA-N 400.486 4.441 0 1 HIAF COCC(COC)N1C[C@@H]2CCN(c3ccc(Cl)cc3Cl)c3nc(C)nc1c32 28120967 BHDYXXXAIGXVAS-ZDUSSCGKSA-N 423.344 4.199 0 1 HIAF COc1ccccc1C(OC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C)c1ccccc1OC 28223400 LFECEAWQGOGUJX-UFYCRDLUSA-N 413.558 4.434 0 1 HIAF CN(C)CCCCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12 28247504 FZPUUOYGFYZRDV-UHFFFAOYSA-N 417.601 4.407 0 1 HIAF Nc1c(CC(=O)O)cc(Cl)cc1C(=O)c1ccc(Br)cc1Cl 29205905 WBLCAEKAKAWBKQ-UHFFFAOYSA-N 403.059 4.196 0 1 HIAF CC[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc21 33818035 FNNYFRCNFHNVAK-AWEZNQCLSA-N 403.837 4.026 0 1 HIAF CN(CC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C[C@H]1COc2ccccc2O1 40447766 UPZZRIFESLDQNC-OFVILXPXSA-N 408.542 4.196 0 1 HIAF CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(NCCN)nc21 45286725 FCWLHVGAUJWYCI-UHFFFAOYSA-N 401.518 4.057 0 1 HIAF O=C(O)CCc1ccc(Cn2cccn2)cc1C(=O)NCc1ccc2ccccc2c1 45389074 PHRWNJZNMCODSA-UHFFFAOYSA-N 413.477 4.032 0 1 HIAF CCS(=O)(=O)CCC12CCC(c3nnc(-c4ccccc4C)n3C)(CC1)CC2 71330680 BRPRVVJRJMNSBE-UHFFFAOYSA-N 401.576 4.207 0 1 HIAF Cc1oc2cc3oc(=O)c(CC(=O)Nc4ccc(C(=O)O)cc4)c(C)c3cc2c1C 95584970 HLIYGWFGYURCHE-UHFFFAOYSA-N 405.406 4.344 0 1 HIAF CC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2CC1CCCC1 95667286 TUJDZJZAGUKGRP-JWQCQUIFSA-N 422.544 4.044 0 1 HIAF Cc1cc(S(=O)(=O)n2ccc3ccccc32)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100632731 CMKMDISZRQHMTR-VQIMIIECSA-N 405.523 4.028 0 1 HIAF Cc1cc(C)c2nc(C)n(Cc3ccc(/C=C/CN4CCN(C(C)C)CC4)cc3)c2n1 143079903 CLHMXDLUVJPYFO-VOTSOKGWSA-N 417.601 4.444 0 1 HIAF CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1 149632982 UGCQNAADEPXTEH-INIZCTEOSA-N 420.944 4.468 0 1 HIAF O=C(Nc1ccc(C2=CCN(C(=O)[C@@H]3CCCO3)CC2)cc1)N1Cc2ccccc2C1 167499711 ZZXMVGDNGPLJFV-QHCPKHFHSA-N 417.509 4.029 0 1 HIAF Cc1cccc(-c2nc(C[S@](=O)CC(=O)N[C@H]3CCC[C@H](C)[C@H]3C)c(C)o2)c1 195421943 CAYQJFAJADNEHO-LOFCNUNPSA-N 402.560 4.148 0 1 HIAF COC(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587092824 ZOXWJDRQYNRBGU-UHFFFAOYSA-N 419.281 4.371 0 1 HIAF Nc1ccc(-c2nc3cccc(I)c3[nH]2)c(C(F)(F)F)c1 587095702 RPXMYTUBTHZCSZ-UHFFFAOYSA-N 403.145 4.436 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(I)c(F)c1F)O2 587385804 GFPKTZKKGJEDMV-ZDUSSCGKSA-N 415.177 4.167 0 1 HIAF CCCNc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614049 QYSLYKASQADDMQ-JTSKRJEESA-N 410.495 4.856 0 1 HIAF Cc1nn(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Br 587684611 ZDTVVERREXKVQA-WJWGPLDTSA-N 417.120 4.016 0 1 HIAF CCOC(=O)[C@H](C)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587703811 GYVDXDSZAQHPTM-KOSWAMCASA-N 412.221 4.079 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2ccc(C(F)(F)F)n2)N1 587721839 QGYDWSLEPHCSPI-VFZGTOFNSA-N 406.221 4.253 0 1 HIAF COC[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587725933 SYYUSUGJGDIFLF-MLCYQJTMSA-N 400.238 4.291 0 1 HIAF COC(=O)C[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587729521 HGDUVXFERZSIGQ-WLRWDXFRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)nc(N3CCCC3)c2)N1 587738069 JUHQRJLOPASZPR-WYRIXSBYSA-N 408.290 4.346 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(Cc3ccccc3)C[C@H]2C)N1 587760178 JGJPDGJNKOYJCY-VTJXTGGHSA-N 403.339 4.470 0 1 HIAF COc1ccc(C=O)c(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)c1OC 587787745 XUKFLOYMVGAPIS-UHFFFAOYSA-N 401.291 4.109 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(Br)cc1C 587866419 CPALOQLJIYBZCM-UHFFFAOYSA-N 413.197 4.428 0 1 HIAF N=C(N)Nc1ccc(CCNc2c(-c3cccc(Cl)c3)nc3cnccn23)cc1 653799297 CRHJZEAOBNSJJU-UHFFFAOYSA-N 405.893 4.010 0 1 HIAF C[C@H](CC(=O)O)C[C@]1(c2cccc3ccccc23)N[C@H](C(=O)O)Cc2cccc(F)c21 962915359 VLAJJXAOIJIVBO-DIUWLVJMSA-N 421.468 4.322 0 1 HIAF CC(=CCCC(=CC[C@H](O)C1=CC(=O)O[C@@H]1O)CO)CCC1=C(C)CCCC1(C)C 2356421461 KSNNYMFBQQASJN-UPVQGACJSA-N 418.574 4.491 0 1 HIAF CC=C(C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)C(C)C 2356655230 CBADSRIBFMZVLJ-UXHICEINSA-N 414.454 4.082 0 1 HIAF CCOc1cc(NC(=O)c2cnccn2)c(OCC)cc1NC(=O)c1ccc(C)cc1 881385 RPBRXTPMLSGNLE-UHFFFAOYSA-N 420.469 4.087 0 3 HIAF CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 26496183 HVVFZBHGEUDAHM-UHFFFAOYSA-N 421.513 4.330 0 1 HIAF O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ccc(CF)cn2)CC1 28711613 XPMHHHJWQFUFAU-UHFFFAOYSA-N 411.855 4.078 0 1 HIAF CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C)co1 40379683 MJPRWHQXMDLDCM-CYBMUJFWSA-N 401.492 4.154 0 1 HIAF COc1ccc(C(=O)Cn2c(C(=O)c3ccc(OC)cc3)nc3ccccc32)cc1 66076986 UTNYBTYLRXMDCJ-UHFFFAOYSA-N 400.434 4.167 0 1 HIAF CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(NC3(CO)CCCC3)nc21 70719226 YRJDJOZMGWJRAI-UHFFFAOYSA-N 402.930 4.188 0 1 HIAF O=S(=O)(Nc1cc(-c2cc3cccnc3cn2)cnc1Cl)c1ccc(F)cc1 73195716 NMNZLBWDJYTREC-UHFFFAOYSA-N 414.849 4.285 0 1 HIAF CCCCC[C@H](C[C@H](CCc1ccc(O)c2c1CCCO2)OC(C)=O)OC(C)=O 85596896 UFKMIQCPIRYOCT-UXHICEINSA-N 406.519 4.484 0 1 HIAF biogenic,in-vitro Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CC(=O)O 95561920 AUNFSGBNGQTFLQ-UHFFFAOYSA-N 423.472 4.460 0 1 HIAF O=C(O)[C@H]1CCCN(CCO/C=C/c2cc(F)ccc2Cc2ccc(F)cc2)C1 96923649 JRTSDOUKJZFNHI-JTPHSUOKSA-N 401.453 4.340 0 1 HIAF Cc1ccc([C@H](C)N2C[C@H]3[C@H](NC(=O)[C@](O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1 101118421 AUEHDRBMNXBWBT-ACAPUBMCSA-N 418.581 4.180 0 1 HIAF COc1cc(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 113657225 ZLVBVXHVGVTLST-UHFFFAOYSA-N 412.493 4.114 0 1 HIAF Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CCCCC2 146837756 QQZYIBRZOJEAEA-UHFFFAOYSA-N 418.472 4.106 0 1 HIAF COc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1OC 586959181 JGONNYQORJIIFN-RUZDIDTESA-N 423.332 4.083 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006365 LWWHAOYCFODZIR-UHFFFAOYSA-N 404.289 4.039 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1 587023068 JCJNWBIXDJSLPC-UHFFFAOYSA-N 420.903 4.149 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(Cl)ncnc3[nH]2)c1 587049513 QKUCAYQPZVSDPR-SREVYHEPSA-N 419.272 4.050 0 1 HIAF CC1=C(c2ccc3nc([C@@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3c2)NNC(=O)C1 587070684 TYDNOSWELFEAAR-ZDUSSCGKSA-N 408.889 4.348 0 1 HIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(N)c(N)cc2[nH]1)c1cccc(Cl)c1 587072342 USSWSAWVRYAIOM-OAHLLOKOSA-N 401.898 4.189 0 1 HIAF FC(F)(F)c1ccccc1Cc1nc2cc(I)cnc2[nH]1 587107916 XJBWBUUIEAIKLT-UHFFFAOYSA-N 403.145 4.172 0 1 HIAF Cc1ccc(C)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc12 587169707 IFJHOIJGGALOKO-NRFANRHFSA-N 409.486 4.387 0 1 HIAF Fc1ccc(I)cc1-c1nc2ccc(Br)nc2[nH]1 587182547 KPOLRRANPCDGFO-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF Cc1ccc2c(c1)OC[C@]1(CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354919 BXFXQDCLIRGOLF-VWNXMTODSA-N 406.409 4.409 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)c(F)c1 587554625 LPMFLYIQKWAYHN-REWPJTCUSA-N 402.381 4.420 0 1 HIAF COc1cccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587586712 CYBYPXXIGXXODR-YKSBVNFPSA-N 414.417 4.494 0 1 HIAF CCOC(=O)Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599663 YRXRCZUWMXATMJ-RCZVLFRGSA-N 418.445 4.375 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sc(N)nc2C(F)(F)F)N1 587712441 KMWYXQGZOYMENV-RWBAJPLHSA-N 424.261 4.443 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587745175 VPCBJLXVONUHGY-PRWKNARSSA-N 419.294 4.107 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2ccccn2)N1 587753407 ILWOXNWZTPSHIE-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCOC3=O)c2)N1 587764994 HXQUPFFOSJDMED-ODXCJYRJSA-N 419.294 4.343 0 1 HIAF CC(C)CN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587766101 FGTVHNLIJYGVBL-ASSNKEHSSA-N 417.322 4.369 0 1 HIAF O=C1Nc2ccc(Br)cc2[C@]12ON=C(c1ccccc1)N2c1ccccc1 653850201 UWINZZBCZYXQQA-NRFANRHFSA-N 420.266 4.453 0 1 HIAF N=C1N[C@](c2cccc(-c3cccnc3)c2)(C2CCCCC2)C(=O)N1C1CCOCC1 1772583105 HEYINMYLERBOCR-VWLOTQADSA-N 418.541 4.070 0 1 HIAF O=Cc1ccc([C@H](C2CCCC2)[C@@H]2C[C@H]([C@@H]3CC[C@@H]4CCC[C@@H]4N3)[C@]3(O)C[N@@]23)cc1 2356373534 BZPUEYCJDUYTDS-WEBMYKEPSA-N 408.586 4.086 0 1 HIAF O=C(Nc1ncccn1)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 13605289 OVYOPBYVNYZVNI-PMERELPUSA-N 414.490 4.021 0 1 HIAF CC(C)O[C@@H](Cc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1)C(=O)O 26466902 GWIUJHBEHNTEIZ-SFHVURJKSA-N 416.861 4.390 0 1 HIAF COc1ccc2cc([C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)ccc2c1 28253072 ZQWIRBYHXKBFEM-CMJOXMDJSA-N 416.477 4.245 0 1 HIAF O=c1cc(OCc2ccc(F)cc2)ccn1-c1cccc(OCCN2CCCC2)c1 45285691 YAXYIJYIERUQSL-UHFFFAOYSA-N 408.473 4.030 0 1 HIAF CC(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCc1ccccn1 82179642 WTODETMIUNCXSI-UHFFFAOYSA-N 418.520 4.456 0 1 HIAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2c3c(cccc3c1=O)OC[C@H]2C1CC1 95552817 YDACQIWLKDKRBL-QPKOWOFHSA-N 404.510 4.044 0 1 HIAF COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cc(C#N)ccn1 143162334 IKRLOISQVMBDML-UHFFFAOYSA-N 415.384 4.089 0 1 HIAF COc1cc(C(=O)CC(=O)c2ccc3c(c2)OCO3)c(OC)c2c1OC(C)(C)C=C2 155581843 KFNJUCTWJPACEJ-UHFFFAOYSA-N 410.422 4.072 0 1 HIAF 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](C(=O)O)[C@@H]3C(=O)O 169348204 PXYRCOIAFZBLBN-FSUYVSNUSA-N 418.530 4.298 0 1 HIAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 169703727 OAIFWLDGIQRRMJ-CALCHBBNSA-N 416.953 4.351 0 1 HIAF C[C@@H]1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)C1 169706709 KLXLMLWCDCJXCC-OAHLLOKOSA-N 414.517 4.474 0 1 HIAF COc1cc(-c2c([C@@H]3O[C@@H](OC)[C@@H](C)[C@@H]3C)cc3c(c2OC)OCO3)ccc1O 238758170 BDGXQQPRVHLWJO-NCECEATRSA-N 402.443 4.121 0 1 HIAF COc1c(Cl)ccnc1C(=O)N[C@@H](CC(=O)O)c1ccc(-c2ccccc2)cc1 261095462 FHROHWBIVJICSI-SFHVURJKSA-N 410.857 4.356 0 1 HIAF NC(=O)c1cccc(-c2ccc3c(c2)CNCCN3c2ccc(C(F)(F)F)cc2)n1 473126053 YZMMKSQTJKVXCK-UHFFFAOYSA-N 412.415 4.108 0 1 HIAF COc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1OC 586999277 XYMMHSGINCDCRW-ARJAWSKDSA-N 403.232 4.242 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(S)nc3ccccc13)(c1nccn1C)O2 587408489 CBKJHSIJYXITOW-HSZRJFAPSA-N 416.506 4.057 0 1 HIAF CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440627 HHSFMHGMBINCNA-XDNBNHOWSA-N 410.510 4.351 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)NCc1ccc(Cl)cc1)CC2=O 587458606 AWHVPVLNMAPCGX-JOCHJYFZSA-N 401.890 4.429 0 1 HIAF C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511551 LOSIJSYXMVQJJL-QJQUAVMFSA-N 415.530 4.219 0 1 HIAF CCn1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587538467 AVOAGKHCYSXMEP-DNVCBOLYSA-N 415.243 4.074 0 1 HIAF COc1ccc(C(=O)c2c(C(F)(F)Cl)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587649743 SQLCPJLPUMVOTF-UHFFFAOYSA-N 413.829 4.099 0 1 HIAF Cc1nn(C)c(C)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587703806 GYCAZCARUFAXJY-VPTHRUTESA-N 420.248 4.279 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2cnn(C)c2)N1 587733626 RKAOETYMERITOE-FKIZINRSSA-N 418.285 4.287 0 1 HIAF Cc1cccnc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587745463 WGQBCDOTVOCSLD-BUXKBTBVSA-N 406.299 4.070 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(C(=O)OC(C)(C)C)c2)N1 587762337 XNJVGEIDLFAJQW-MGPLVRAMSA-N 410.287 4.192 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2c1 587785686 FIAZZOLACFEKCJ-UHFFFAOYSA-N 408.479 4.405 0 1 HIAF Cc1ccc(NCCc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 587923643 BXGSCFCZHCJHMY-UHFFFAOYSA-N 401.557 4.169 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2cc(Cl)cc(Cl)c2)(c2ccccn2)N1 962892702 GSJRZPDQLPQJOX-RXVVDRJESA-N 417.267 4.418 0 1 HIAF COc1ccc2c(c1OC)[C@@]1(CC(=O)C[C@H](c3ccccc3)C1)NCC21CCOCC1 963197060 XUSXDBVQVIYJQT-AFMDSPMNSA-N 421.537 4.087 0 1 HIAF O=C1Nc2ccccc2/C1=C/c1cccc(OCc2cn(Cc3ccccc3)nn2)c1 1772633514 PIUGHXBCCYWASF-UCQKPKSFSA-N 408.461 4.398 0 1 HIAF Oc1cc(Cn2cc(CSc3nc4ccccc4[nH]3)nn2)c2cc(Cl)ccc2n1 1857577909 ZPCCUCSUZUTOKE-UHFFFAOYSA-N 422.901 4.402 0 1 HIAF COC(=O)CCC=CCC[C@@H]1C(=O)C[C@H](O)[C@H]1C=CC[C@](C)(O)C=CC1=CCCC1 2356344139 ZZVPHCPLTZTOBC-PBXDDXTRSA-N 416.558 4.206 0 1 HIAF C[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 2724678 DWHUBGUDTXXJRT-WAIKUNEKSA-N 404.441 4.163 0 1 HIAF CCN(CC)C(=O)/C=C(\C)c1ccc(OCc2ccccc2F)c(OCC(=O)O)c1 13782703 PWUDXZVHMPCDCT-FOWTUZBSSA-N 415.461 4.140 0 1 HIAF Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1C/C=C/I 26651301 QPBQHWRLVDNKCB-KRTMNNNLSA-N 409.311 4.399 0 1 HIAF CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1C=CCN1CC(=O)c1ccccc1 26817969 CYCQDQIMGWJGIP-NOZWXLBKSA-N 402.538 4.354 0 1 HIAF CO[C@H]1[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(F)(F)F)cc2)CCC1(C)C 29480168 WLUGALZQBLDUBW-WBAXXEDZSA-N 413.440 4.323 0 1 HIAF C/C(=C\CC/C(=C/C[C@@H]1OC(=O)C=C1CO)CO)CC[C@@H]1C(C)(C)CCC[C@@]1(C)O 40943472 BYAXMGMKQCMKDN-LOCAUDRWSA-N 420.590 4.223 0 1 HIAF COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1 66259361 WBUCFEOIQMRVHB-UHFFFAOYSA-N 404.514 4.086 0 1 HIAF COC(=O)C[C@H]1c2ccccc2C=C(/C=C\c2ccc3c(c2)OCO3)N1C(=O)OC 73044082 BADWNVHEGXMHGT-FUKPKEADSA-N 407.422 4.156 0 1 HIAF COc1ccccc1CCNc1nc(NCC(C)C)c2cc(OC)c(OC)cc2n1 82128016 LZYUYWHXTXMHKA-UHFFFAOYSA-N 410.518 4.378 0 1 HIAF O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(Oc2ncnc3[nH]ncc23)c1 95590733 IHEVLQKGFWWIEI-UHFFFAOYSA-N 413.359 4.345 0 1 HIAF CCCN(c1ncc(Cl)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118872595 UHSNGYUZTXRCKH-HNNXBMFYSA-N 416.884 4.082 0 1 HIAF CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cc1c[nH]c2ccccc12)C1CC1 139054639 AFDCQWJHWZTKAB-NRFANRHFSA-N 409.555 4.419 0 1 HIAF COc1cccc(OC)c1[C@@H]1C[C@@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 167457839 PXNXLOMDHVIHNB-CABCVRRESA-N 413.367 4.414 0 1 HIAF Cc1ccccc1NC(=O)Nc1ncnc2c1ncn2C(=O)Nc1ccccc1C 169317187 ZPJKXXMFBAACIJ-UHFFFAOYSA-N 401.430 4.167 0 1 HIAF CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)CC3)n1 169702151 ALLOBHVKDVTDHL-UHFFFAOYSA-N 405.893 4.256 0 1 HIAF COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(F)cc1 299878737 JQCDMIRMFIZVRY-RSDNTHMSSA-N 415.461 4.231 0 1 HIAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)C(C)C 586933605 UHGSSJBFQSVQSO-ZDUSSCGKSA-N 424.311 4.020 0 1 HIAF CCN1C(=O)C[C@@H](c2nc3cc(Br)cnc3[nH]2)[C@@H]1c1ccccc1Cl 587060722 CYKBTFSSSHTCJD-WBMJQRKESA-N 419.710 4.451 0 1 HIAF FC(Br)(Br)c1nc2c(Br)cnc(Cl)c2[nH]1 587087257 CPIBDOAFFLFIHG-UHFFFAOYSA-N 422.277 4.243 0 1 HIAF Cc1c(Br)cnc2nc(-c3cc(-c4ccc(F)c(F)c4)nn3C)[nH]c12 587148018 XZAUBGKNRNQWJI-UHFFFAOYSA-N 404.218 4.375 0 1 HIAF Fc1ccc(I)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587182622 LUBXEWYFQXRORA-UHFFFAOYSA-N 422.176 4.298 0 1 HIAF COc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 587238862 GVZUTGCVAFGSPR-UZSYQUHHSA-N 401.507 4.127 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(O)c(F)cc32)[C@@H]1c1ccc(F)cc1 587330470 FNJLPUVJKJYOKU-GGAORHGYSA-N 410.372 4.413 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@@H](C(=O)O)[C@@H]2CC3)c1 587363595 QZIXZHXPSCUGMU-OMXJDXKCSA-N 414.461 4.359 0 1 HIAF C[C@@]1(c2cc(CC(=O)O)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374520 KRKNTSRALSAGOB-IRLDBZIGSA-N 412.438 4.494 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)[C@@H](C2)C3=O 587418519 BVFKMMGAEZIVFN-KSFYIVLOSA-N 409.825 4.066 0 1 HIAF CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430523 IJFPMXIHUNCPFM-OUOWLKGYSA-N 417.461 4.138 0 1 HIAF CN(C)CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587570858 JPVJRKVHJKGMMT-QPPBQGQZSA-N 405.450 4.036 0 1 HIAF Cc1[nH]c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1CCC(=O)O 587586759 DHBKTWBVKSWMKF-CVDCTZTESA-N 407.422 4.057 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC(=O)N(C)C)N1 587743387 WMUNBOMPVGWVMS-ZMZPIMSZSA-N 407.283 4.272 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3ccccc3)nn2)N1 587761797 WGZITXRPYXYVFF-ZUOKHONESA-N 415.310 4.026 0 1 HIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc(N2CCCCC2)n1 587764285 CYTWALGZMYMRNU-HXPMCKFVSA-N 419.342 4.301 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(C2CCOCC2)N1 587778605 NIVWVRWTIPJOTO-RBZFPXEDSA-N 405.311 4.188 0 1 HIAF CCc1ccc2c(c1)[C@]1(CC(=O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587838284 NFSHKIVYACFDCN-PRWKNARSSA-N 404.279 4.238 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3sc(N)nc32)N1 587859392 WLHNPBDPWIEPAK-NIVTXAMTSA-N 410.356 4.377 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2c[nH]c3cnc(Cl)cc23)N1 962708398 YZWRYHYVJMBCMB-XJKSGUPXSA-N 413.758 4.063 0 1 HIAF COc1cc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1OCc1ccccc1 963018748 CIXZLDKNHVRVHF-BCHFMIIMSA-N 414.505 4.417 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CNC(=O)OC)cc21 1857604699 YODRIVQRGCWJCE-UHFFFAOYSA-N 415.493 4.196 0 1 HIAF CCN(CC)CCNC(=O)c1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1 1857759000 PPMGQKPLWLJIOW-UHFFFAOYSA-N 419.554 4.196 0 1 HIAF CC(C)CCn1ccc2c(OCC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)cccc21 2356759423 PFZWJRVGKADQKP-UNMCSNQZSA-N 411.590 4.447 0 1 HIAF COc1ccc([C@@H]2[C@H](C(=O)N3CCCC[C@H]3C)CC(=O)N2c2ccc(OC)cc2)cc1 201457854 XUBBUXFQZRDFFX-CUHUQNRHSA-N 422.525 4.199 0 3 HIAF O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccco2)[C@H]1C(=O)c1cc2ccccc2o1 2841178 DYYZEJOLMRXKMN-VXKWHMMOSA-N 413.429 4.220 0 1 HIAF COc1ccccc1N1CCN(CCCC[C@@]23CCCc4cccc(c42)NC3=O)CC1 3828188 MUBNQYJQCBLICS-AREMUKBSSA-N 419.569 4.214 0 1 HIAF CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc21 13918476 KIIQBPBFXXBVSD-UHFFFAOYSA-N 404.558 4.302 0 1 HIAF CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@@H]1CC(=O)NCc1ccc(F)cc1 25434167 QGTOFJLHFCFPDO-DLBZAZTESA-N 417.912 4.069 0 1 HIAF biogenic CCCSc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(=O)O)cc1 28762850 VAWFUVYSBNWGEJ-UHFFFAOYSA-N 412.511 4.203 0 1 HIAF O[C@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCCc1ccc(F)cc1 36271437 DTTQTDUZOHHUFF-DSNGMDLFSA-N 405.513 4.308 0 1 HIAF Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(F)c(F)ccc2[nH]1 43175816 FGPDYHWYLFFVRS-UHFFFAOYSA-N 400.477 4.140 0 1 HIAF CC[C@@H](C)C(=O)O[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 58660617 PCZOHLXUXFIOCF-JLUBRMCISA-N 404.547 4.196 0 1 HIAF CCCCNC(=O)Nc1ccc(N(C)c2ncnc3cc(OC)c(OC)cc23)cc1 64436894 REJGUHILMFHZTK-UHFFFAOYSA-N 409.490 4.337 0 1 HIAF Cc1cccc2cc([C@H](C)Nc3nc(N)ncc3Cl)n(-c3ccccc3)c(=O)c12 88345800 NHPUSQZCTRCFKS-AWEZNQCLSA-N 405.889 4.498 0 1 HIAF O=C1Nc2ccccc2/C1=C\c1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc32)o1 95560996 GYLBDBWKKBZUEO-MHWRWJLKSA-N 404.809 4.155 0 1 HIAF O=C(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 95877459 RFXUEAARQGUESN-CTUHWIOQSA-N 402.469 4.483 0 1 HIAF O=C(c1ccc(Oc2ncccc2C2CCOCC2)cc1)c1nc2ncccc2[nH]1 139631279 DDZBKMLSDGQNMB-UHFFFAOYSA-N 400.438 4.270 0 1 HIAF CC(C)Oc1cc(NC(=O)c2ccc(Cl)cn2)cc([C@]2(C)CCSC(N)=N2)c1 144501211 WAKBRVWIQUWQRJ-FQEVSTJZSA-N 418.950 4.441 0 1 HIAF Cc1ncc(C)n2nc(-c3cc4nc(-c5ccccc5)cn4cc3N3CCCC3)nc12 149262629 HSZGXAXFCXLXRX-UHFFFAOYSA-N 409.497 4.323 0 1 HIAF Cc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3nc(Br)ccc23)cc1 169311778 MONOATPTYYPMEB-UHFFFAOYSA-N 410.271 4.286 0 1 HIAF COc1cc(CNC(=O)C2CCN([C@H](C)c3cccc4ccccc34)CC2)ccn1 169312133 MMIABLSMKGWQKD-GOSISDBHSA-N 403.526 4.333 0 1 HIAF NC(=O)c1ccccc1-c1ccnc(-c2ccnc(Nc3ccc4c(c3)COC4)n2)c1 169703387 WIOWCPIXIOUBIS-UHFFFAOYSA-N 409.449 4.078 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cccc(-c5ncc[nH]5)c4)ncc23)ccn1 219747806 VSKMYWALMXTVFD-UHFFFAOYSA-N 424.468 4.040 0 1 HIAF CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@H]4[C@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@@]35CC[C@]12C 255222844 KLLPYPVHEZFPAN-RHSDWQQNSA-N 415.618 4.254 0 1 HIAF Cc1cccc(OCC(=O)Nc2ccc(-c3coc4cc(O)ccc4c3=O)cc2)c1 473086924 DHONKLROICSQOW-UHFFFAOYSA-N 401.418 4.492 0 1 HIAF COc1cncc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c12 586919799 HSMDMBWSLBRRNK-UHFFFAOYSA-N 417.965 4.252 0 1 HIAF Cc1ccc(-n2ccnc2SCc2nc3nc(Br)c[nH]c-3n2)c(C)c1 586967180 YYMWYDTVXIFIRB-UHFFFAOYSA-N 415.320 4.162 0 1 HIAF CC(C)(C)OC(=O)N1CC2(Cc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)C1 586987986 JVMZAULRUZDMBI-UHFFFAOYSA-N 414.461 4.196 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152541 PMTLXSITDDMUMD-LSDHHAIUSA-N 405.470 4.143 0 1 HIAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 587154447 OVNJNOSVHPQJQP-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF Cc1[nH]c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C(=O)O 587345747 KKWFIYXZFRTIRJ-AUSIDOKSSA-N 409.413 4.449 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]c3ccc(Br)cc3c1=N)O2 587370053 AUCXNTSJIZCIMG-HXUWFJFHSA-N 412.287 4.181 0 1 HIAF O=C(O)CC[C@]1(c2ccc3c(c2)CCC(=O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 587525619 OKKXQVWPNGCVHK-RUZDIDTESA-N 419.477 4.176 0 1 HIAF CC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587710578 SWSOPXZQJNNIHB-UHLUBPPHSA-N 418.175 4.494 0 1 HIAF CC(=O)Nc1cccc2c1[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587745445 WFJYXNJGILGVMQ-BIBXISHDSA-N 403.295 4.271 0 1 HIAF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)OC 587802498 SLRLIMBFDUYNDG-WYRIXSBYSA-N 422.294 4.397 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCSCC3)nc2)N1 587857140 PIYRPXRBXIBBHI-BUXKBTBVSA-N 422.367 4.160 0 1 HIAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(CCC(=O)O)c1O 587939503 BBWOMNBSOAEVOD-UHFFFAOYSA-N 403.818 4.360 0 1 HIAF COc1cc2c(cc1OC)[C@@](C)(c1nc(Br)sc1C)N(C)[C@@H](C)C2 962628299 HDMKANVVDIYUDD-YPMLDQLKSA-N 411.365 4.371 0 1 HIAF Cc1ccc(Cl)nc1[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962918431 ITWIPQCULWUFSX-GHTZIAJQSA-N 410.857 4.230 0 1 HIAF COc1cccc(OC)c1[C@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186545 KYOZPCRYZYBOBV-DIFFPNOSSA-N 415.795 4.064 0 1 HIAF Cc1cc2c(cc1O)[C@H](c1c(C)n(C)c3ccc(OCC(C)C)cc13)N[C@H](C(=O)O)C2 963548605 HNWLXLRWKFPBQY-GBXCKJPGSA-N 422.525 4.224 0 1 HIAF Cc1cccc2c1[C@](C)(C[C@@H]1CCOC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905125 WGIRYBXZWWPVSN-XAEMIUIASA-N 403.519 4.273 0 1 HIAF OCc1csc(-c2csc(-c3csc([C@@H](O)Cc4ccccc4)n3)n2)n1 1772575703 QPZRITCODWPMIN-HNNXBMFYSA-N 401.538 4.159 0 1 HIAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC[C@@H]2CCCCO2)cc1F 1772582557 TZCYDPFBDCOKRC-NSHDSACASA-N 419.931 4.108 0 1 HIAF CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccc(N(C)C)cc1 1772654552 SNQWGBOQDIGKNE-UHFFFAOYSA-N 414.531 4.138 0 1 HIAF Nc1ccc(S(=O)(=O)Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 1857645090 MOAWGYVCOPPZRB-UHFFFAOYSA-N 411.914 4.294 0 1 HIAF O=C(NC[C@@H](Cc1ccc(F)cc1)N1C[C@H]2CC[C@H]1C2)C1(c2ccc(F)cc2)CC1 1857645986 WNHGZOOXCDSJNW-OFAXGOBFSA-N 410.508 4.208 0 1 HIAF Cc1ccnc2c(NC(=O)c3ccc([C@@H]4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@H]5C4=O)cc3)cccc12 1857764773 XPISELXIQGCMOR-NQKOBMBXSA-N 422.484 4.469 0 1 HIAF CCCCOc1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)on2)cc1 1857771878 SHVDFXMPFYAVIQ-UHFFFAOYSA-N 402.397 4.477 0 1 HIAF CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@H](C)C[C@@H](C)CC[C@@H](C)OC1=O 2356862851 UOAPDHMSZKCUEI-DTGNRIQCSA-N 424.626 4.072 0 1 HIAF C/C(=C/n1c(=O)c(-c2cccs2)nc2ccccc21)n1c(=O)[nH]c2ccccc21 205860242 AZJGNBRGHMOZFJ-YPKPFQOOSA-N 400.463 4.244 0 3 HIAF CCC(=O)N(c1ccccc1)C1CCN(C(=O)C[C@@H](N)c2ccc(Cl)cc2)CC1 28703164 RTWWFKMLFAMEJB-OAQYLSRUSA-N 413.949 4.164 0 1 HIAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(NC2CCNCC2)ccc1Cl 28825942 SVKRNRDUAUBXFN-UHFFFAOYSA-N 401.982 4.450 0 1 HIAF COc1ccc(N2CC[C@H](c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 40567475 ZSRLHNGSNTZMLF-OAQYLSRUSA-N 412.505 4.220 0 1 HIAF OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(C3CCCCC3)cs2)cc1 96274023 LRTJNSSXHCYTOU-RTWAWAEBSA-N 415.603 4.295 0 1 HIAF CN(C)CCCOc1ccc(-c2coc3cc(OCCCN(C)C)ccc3c2=O)cc1 96927395 NKDCTONQLLNQKV-UHFFFAOYSA-N 424.541 4.121 0 1 HIAF C[C@@H](c1ccc(Br)cc1)N1CC[C@@]2(CCCC3(C2)OCCO3)OC1=O 142702411 AUYGDDDAFWMFKL-KBXCAEBGSA-N 410.308 4.408 0 1 HIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccccn2)n1 167860023 JEVWWXFGQZFWAN-FQEVSTJZSA-N 403.482 4.415 0 1 HIAF F[C@@H]1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)C1 169706708 WGKCMMPUIKFNGE-CQSZACIVSA-N 418.480 4.176 0 1 HIAF COC(=O)[C@]1(/C=C/[C@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@@H]21 195422590 KAZMGBQDEYZMGJ-NLSGEAKRSA-N 409.320 4.297 0 1 HIAF CN(C(=O)c1ccccc1)c1ccc(C(OCCO)(C(F)(F)F)C(F)(F)F)cc1 299832959 UTKQXDFGRQMZRT-UHFFFAOYSA-N 421.337 4.292 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(F)c(C)c2[nH]1 586935458 HVKWZGDLRQWFDF-KRWDZBQOSA-N 421.563 4.400 0 1 HIAF CC1(C)COC2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)OC1 586989976 BQYOIPLJEDKGOF-UHFFFAOYSA-N 401.462 4.410 0 1 HIAF CCS(=O)(=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587132879 KEIGKNBXVYDOJU-UHFFFAOYSA-N 401.246 4.033 0 1 HIAF O=S(=O)(Nc1ccsc1-c1nc2cc(Cl)ncc2[nH]1)c1ccc(F)cc1 587170278 MYDQLQOVRNWETP-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF O=c1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cn(C2CC2)c2cc(F)c(F)cc12 587170492 AFGYSYOXZURVDX-UHFFFAOYSA-N 417.318 4.479 0 1 HIAF COC(=O)c1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183224 BRAFKESCBFLQTA-CMDGGOBGSA-N 404.207 4.125 0 1 HIAF Cc1nn(C)cc1[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327146 FGLUBSQBYVPSCS-NQIIRXRSSA-N 402.372 4.093 0 1 HIAF COc1ccc2c(n1)NCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351387 UHZWZXZSJODPIU-OFNKIYASSA-N 406.413 4.005 0 1 HIAF CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437146 DOZRPFLHFBJSOH-MPCDZSKCSA-N 403.478 4.047 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1cccc(C)n1)([C@H](O)c1cccc(C)n1)CC2=O 587485820 KWTXGXOABUFNPM-JWQCQUIFSA-N 418.493 4.346 0 1 HIAF CC(C)N1CCc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2C1 587620323 XZCDLAIKDYBLJV-KNQAVFIVSA-N 422.506 4.318 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2-n2cncn2)N1 587693041 CFSMVULUDXXMAA-MGNBDDOMSA-N 421.701 4.446 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cc3ccccc3o2)(C(=O)O)N1 587833761 OVWRXHIPQCSLCK-BIBXISHDSA-N 418.262 4.391 0 1 HIAF Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 587837167 DBIHLYAFRFMVKI-BIBXISHDSA-N 418.262 4.035 0 1 HIAF Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 587839511 SMEMGJYENBOAPP-BIBXISHDSA-N 418.262 4.035 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(N)sc32)N1 587858453 QTKZMYVFPRWWTO-LZVRBXCZSA-N 410.356 4.377 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OC)cc1O 587864549 LOHYGMLWUWLPCE-UHFFFAOYSA-N 406.360 4.370 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc(C(F)F)cc1C1CC1 587871311 SPPYYFMLXQKDMA-UHFFFAOYSA-N 404.392 4.440 0 1 HIAF CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@@]21NCCc2cc(C)c(F)cc21 962293844 AHJAMKWNFIFAJE-QFIPXVFZSA-N 416.518 4.056 0 1 HIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)Oc3ccccc3)c2cn1)c1ccccc1 1772602823 FMTBJCBMBUYWMF-CQSZACIVSA-N 416.441 4.452 0 1 HIAF NC(=S)c1cc(-c2cn(CCC(F)F)c3cc(CO)ccc23)c2ocnc2c1 1857579776 ZHOWQEGORHZLBR-UHFFFAOYSA-N 401.438 4.231 0 1 HIAF Cc1nnc(C[C@@H]2N=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc32)o1 1857592087 FRDPNSFTJSRVSL-KRWDZBQOSA-N 404.861 4.055 0 1 HIAF CC1=CCCC(C(C)C)=CC(=O)O[C@H](C)CCC(C)=C2OC(=O)[C@@H]3[C@@H]2[C@H]1O[C@]3(C)O 2356544449 PODFUNZMQLOKFU-LSNXLUPQSA-N 418.530 4.191 0 1 HIAF Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(F)cc2F)o1 71008657 YBSPZRCTMYBNQT-UHFFFAOYSA-N 405.422 4.234 0 3 HIAF O=C(CSc1ccccc1)N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O 199358354 LVKGLFQHRLHZQD-IBGZPJMESA-N 402.947 4.130 0 3 HIAF Cc1ccc(-c2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)no2)cc1 201476501 DIEGAKXTQYJDIT-LJQANCHMSA-N 411.527 4.230 0 3 HIAF COc1cc(-c2nc3ccccc3c(=O)n2Cc2ccccc2C)cc(OC)c1OC 3018211 OJKPPAKJJSVLTA-UHFFFAOYSA-N 416.477 4.446 0 1 HIAF CCCCN(CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)Cc1ccccc1 4143705 DMACBDOVDDXZLQ-UHFFFAOYSA-N 420.509 4.080 0 1 HIAF COc1cc(O)c([C@H]2CC(=O)c3c(O)cc(OC)c(CC=C(C)C)c3O2)c(O)c1 14648236 SABJGAJVBSRRQW-LJQANCHMSA-N 400.427 4.036 0 1 HIAF biogenic CCC[C@]1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26480011 OKARPYQDCSPETI-JTHBVZDNSA-N 410.470 4.038 0 1 HIAF O=S(=O)(c1cccc(Cl)c1)n1ccc2c(OCCN3CCCC3)cccc21 38192576 KCIKZDOFIOMAPF-UHFFFAOYSA-N 404.919 4.006 0 1 HIAF COc1cccc([C@@H]2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)c1 43014339 CUOZZEMLTFRECQ-LJQANCHMSA-N 413.949 4.470 0 1 HIAF COc1cc([C@H]2CC(c3ccc(SC)cc3)=NN2C(C)=O)cc(OC)c1OC 64361371 WSHQABRXPCSCRM-GOSISDBHSA-N 400.500 4.132 0 1 HIAF C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@@H]1C(C)(C)[C@@H](O)CC[C@]1(C)O 105426806 HBYBDKQFQLMBGU-BLRUPXMWSA-N 400.515 4.446 0 1 HIAF Cc1nn(Cc2ccccc2)cc1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1 142149473 YXKNMECEDPBPDR-OXJNMPFZSA-N 420.517 4.184 0 1 HIAF COc1ccnc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2nccs2)c1 167529638 KPXAKWWRUYDCGE-KRWDZBQOSA-N 409.511 4.476 0 1 HIAF O=C(/C=C/c1cccc2c3c([nH]c12)-c1cccnc1NC(=O)C3)NCc1ccccc1 169349958 CLLZQOWTGRQKNB-VAWYXSNFSA-N 408.461 4.054 0 1 HIAF C[C@]1(c2ccccc2)SC(NC(=O)c2ccccc2)=NN1C(=O)c1ccccc1 299840968 XBIHLQKPEZWKNQ-HSZRJFAPSA-N 401.491 4.450 0 1 HIAF NS(=O)(=O)Cc1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 586931023 ZIGYKEBJDHVATD-UHFFFAOYSA-N 423.338 4.056 0 1 HIAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(F)c(F)c2[nH]1 586945253 DVVVPYWELKXKGH-UHFFFAOYSA-N 411.480 4.110 0 1 HIAF Cc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Br 587038300 GPPZXIYPELFPSI-UHFFFAOYSA-N 410.297 4.499 0 1 HIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587095158 YOTAXIUGEVWDRC-RXMQYKEDSA-N 418.135 4.474 0 1 HIAF COC(=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2n1 587138227 DAMMFGPMYGUQTF-UHFFFAOYSA-N 409.348 4.055 0 1 HIAF O=C(N[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1 587218287 HWICOZFBMLHWNK-LJQANCHMSA-N 407.376 4.404 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccco3)CC2)[C@H]1c1ccc(F)cc1 587345432 PHINJLYGHDPLJH-NRFANRHFSA-N 421.424 4.158 0 1 HIAF CC(C)(C)OC(=O)N1CC(O[C@@H]2CC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 587516819 FBTUCBNTJOUSER-YKSBVNFPSA-N 413.514 4.068 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN(C)C 587568369 BWWCLRTYFMMQJN-XUZZJYLKSA-N 405.450 4.165 0 1 HIAF COc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 587580112 HEBQRUKMLVXVPH-ZJSXRUAMSA-N 414.417 4.289 0 1 HIAF Cc1nnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 587588928 VJFRYMPYLWCEHD-KNQAVFIVSA-N 400.390 4.454 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590442 YKARYDJDXDCICG-OOFCAGAZSA-N 423.465 4.122 0 1 HIAF COC(=O)CC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587731921 MAJGNFBAZIUXIV-YUNKPMOVSA-N 424.285 4.458 0 1 HIAF COc1ccc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587739944 IRDVNQYQUXFBOQ-WPRRNSSCSA-N 419.338 4.450 0 1 HIAF COc1ccccc1-c1ccc2c(c1)CC[C@H](CN(C)C)[C@]2(O)c1cccc(O)c1 653821007 HTAYRDXHIXFQRU-QFQXNSOFSA-N 403.522 4.428 0 1 HIAF COc1ccc([C@]2(c3nccs3)c3ccsc3CCN2Cc2cccn2C)cn1 962368296 AFHLAXWSBCMWBE-JOCHJYFZSA-N 422.579 4.297 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccc(OC(F)F)c2)N1 962697159 LNTDMHDYIHRDLD-GJZGRUSLSA-N 405.294 4.134 0 1 HIAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c(Cl)c1 962701475 RARHXIZCDFULHE-HOTGVXAUSA-N 403.759 4.195 0 1 HIAF CCOC(=O)CCC[C@]1(c2c(C)cc(C)cc2C)NCCc2nc3ccccn3c21 962991401 VNCCKBXOTASAPN-RUZDIDTESA-N 405.542 4.382 0 1 HIAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(-n4ccc(C(F)(F)F)n4)cc3)c3cccc1c32 963015737 AHFAMYTVJBHNRG-QKKBWIMNSA-N 412.415 4.034 0 1 HIAF COc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(OC)cc3OC)c2)c(OC)c1 1772635074 NZFBPNVHCRTELR-UHFFFAOYSA-N 408.454 4.408 0 1 HIAF O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1c(F)cccc1C1CC1 1772641294 NGPARWNCZSCZMM-GJZGRUSLSA-N 408.399 4.275 0 1 HIAF COc1cccc(NC(=O)CCn2c(-c3ccc(C(=O)O)cc3)nc3ccccc32)c1 1857546363 NQBHGDWGKUWXKA-UHFFFAOYSA-N 415.449 4.439 0 1 HIAF O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)CS[C@H]1c1ccccc1 1857569270 RTFHOVIYSULDBM-HNNXBMFYSA-N 404.904 4.260 0 1 HIAF CC(=O)N1CCc2c(c(-c3cc(Cl)cc4ccncc34)nn2C2CCOCC2)C1 1857646176 CMZOBKNUNUQZEN-UHFFFAOYSA-N 410.905 4.008 0 1 HIAF O=C1CN(Cc2ccc(F)cc2F)C(=S)N1c1ccc(N2CCCC2)c(Cl)c1 1857762297 MFWFSSYRDHRNLK-UHFFFAOYSA-N 421.900 4.352 0 1 HIAF CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](N(C)C)C[C@@]2(C)[C@H]3CC[C@H]2C(C)=O)C[C@H]1O 2356732995 NCGLTZSBTFVVAW-IQWWQMMHSA-N 405.623 4.150 0 1 HIAF CC1CCN(C[C@H](C)CNC(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1 4669086 APXGWYFIIASVAW-LJQANCHMSA-N 402.542 4.395 0 3 HIAF Cc1cccc(C)c1OCc1cc(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)no1 12073137 OSFRPIDWWIGDCN-UHFFFAOYSA-N 408.502 4.026 0 3 HIAF Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)O)nn1Cc1ccccc1 61931509 XKWOVUKEBXCBKA-UHFFFAOYSA-N 418.478 4.314 0 3 HIAF COc1ccc(-c2nnc3n2N=C(c2ccc(Br)s2)CS3)cc1 4598354 DQZKEUOUDHJJLV-UHFFFAOYSA-N 407.318 4.136 0 1 HIAF COc1ccc([C@H]2CC(c3ccc(Br)s3)=Nc3ncnn32)cc1OC 13123560 RWPNYYDMCYLYAR-GFCCVEGCSA-N 419.304 4.233 0 1 HIAF COc1ccc([C@@H]2c3cc(O)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)cc1 13736724 BJSXTKDRYZUWEL-VJBWXMMDSA-N 404.418 4.108 0 1 HIAF CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc2c(c1)CCCN2C 18182449 YLOVZYPOHQLBAH-XZOQPEGZSA-N 408.542 4.450 0 1 HIAF COC(=O)c1ccnc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 28954691 QEUHNGLNTGDSQX-UHFFFAOYSA-N 420.509 4.354 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@]2(C)[C@@H]3C(=CC[C@@H]21)C(=O)O[C@H]3O 34010732 ATVQOEWPZTUPDT-WVZLBSHTSA-N 402.575 4.444 0 1 HIAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCCC2)[C@@H]1c1cn(C)c2ccccc12 34855270 LEAVSIGBGOQXNS-ZEQRLZLVSA-N 415.537 4.491 0 1 HIAF CC[C@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 34858173 PDLXRYMASBJNOF-NSHDSACASA-N 418.412 4.174 0 1 HIAF Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)c(F)c3)c2)n1 58582925 ZDKTXUSNJNOZIM-SZNDQCEHSA-N 413.880 4.458 0 1 HIAF COc1cc(C(F)(F)F)ccc1C1CCN(Cc2nc3ncccc3n2C)CC1 71330229 OQNTWJNDKUVZAQ-UHFFFAOYSA-N 404.436 4.375 0 1 HIAF Cc1sc(-c2ccccc2S(C)(=O)=O)cc1C(=O)Nc1nc2c(s1)CCC2 72181626 OCRQIMGNVFLHGA-UHFFFAOYSA-N 418.565 4.325 0 1 HIAF COc1ccc(F)cc1-c1nccc2[nH]nc(-c3cc(OC)c(OC)c(OC)c3)c12 82078869 XXKOARAEZBHBEM-UHFFFAOYSA-N 409.417 4.465 0 1 HIAF COc1ccc(CCNc2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)cc1 82140323 ZUAIGPBDCFIUKA-UHFFFAOYSA-N 420.488 4.182 0 1 HIAF CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](C)CN2 82211946 MHBIZMCDSSYPIV-MRXNPFEDSA-N 406.530 4.046 0 1 HIAF CC(=O)c1ccc2c(c1)C[C@@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 103238193 LLIGDFVOQDLKCR-QGZVFWFLSA-N 407.485 4.368 0 1 HIAF Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(C(F)(F)F)c4)nc23)on1 113751509 GZFDPJXFJXZZAQ-UHFFFAOYSA-N 402.336 4.040 0 1 HIAF O=Nc1c([C@@H]2C(=O)Nc3cc(I)ccc32)[nH]c2ccccc12 169685101 ZMTFCRAERVFMKE-CYBMUJFWSA-N 403.179 4.254 0 1 HIAF NC1=N[C@@](c2ccccc2)(c2cccc(-c3ccncc3)c2)C(=O)N1C1CCCCC1 218624316 PELJWIRYZWWWKO-SANMLTNESA-N 410.521 4.482 0 1 HIAF CCOC(=O)CC[C@@H](C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108210 XCPXONSQRNGFCI-QGZVFWFLSA-N 417.461 4.436 0 1 HIAF Fc1ccc(-c2cn3c(Cc4nc5c(S)nc(S)nc5[nH]4)csc3n2)cc1 587165916 GZMNITHKZVMHMK-UHFFFAOYSA-N 414.516 4.036 0 1 HIAF CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(C)ccc21 587335264 GZAXVCUECMMNED-RCZVLFRGSA-N 417.436 4.461 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)[C@@H](C2)C3=O 587416553 AZNKFMPAXXGAKO-ZBEGNZNMSA-N 414.672 4.075 0 1 HIAF CCOC(=O)[C@H](C(C)C)[C@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439927 DULIDMGFNZPFLR-RZTXVSJASA-N 408.494 4.259 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(NC(C)=O)cc1)CC2=O 587471398 RSHFUVRUXQDAER-QHCPKHFHSA-N 410.470 4.056 0 1 HIAF O=C1C[C@@H](c2sc(N3CCOCC3)nc2Cl)Oc2c1ccc1c2CCCC1 587536665 YYOWGNIQDZKDFU-INIZCTEOSA-N 404.919 4.218 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587704310 JCWQDWNQHWKYCO-HSOHIQCKSA-N 420.269 4.316 0 1 HIAF COc1cccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587744027 YPOFGQAQGONTDD-YAEQOHIWSA-N 419.338 4.450 0 1 HIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2csc(C3CC3)n2)N1 963173379 LIYNIVLGECEMQQ-OCCSQVGLSA-N 402.825 4.381 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 963603203 BLILKGGYGRINPR-FQZPYLGXSA-N 420.550 4.040 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CC(C)(C)C(=O)O)c1cccc(F)c1 963603290 CDQYQCPBBBBQMG-PSLXWICFSA-N 401.478 4.122 0 1 HIAF CCc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)NC(C)(C)C)CC3)c2)c1 1772619181 GKAQBFVBOFYLNB-UHFFFAOYSA-N 422.573 4.023 0 1 HIAF O=c1cc(-c2ccccc2)oc2cc(OCCCCCN3CCC(O)CC3)ccc12 12356336 MERGDWKYNIQHBP-UHFFFAOYSA-N 407.510 4.466 0 1 HIAF CCCOc1nc(N[C@H](C)[C@@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1 12405438 IEVBPGAANNEBGZ-OXQOHEQNSA-N 403.486 4.138 0 1 HIAF O=C1NC(=O)[C@H](Cc2ccc(Oc3cccc4oc(-c5ccccc5)nc34)cc2)O1 29340885 AFFOLIDIQKHOFY-IBGZPJMESA-N 400.390 4.465 0 1 HIAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 29464857 OKFMHSRKLYWYSH-UHFFFAOYSA-N 408.329 4.435 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@]4(C)[C@@H]3CC[C@@]21C 34801246 JPOAJVXSZNVFCE-LKCDZQRYSA-N 406.586 4.282 0 1 HIAF CC(C)N1CC[C@]2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 95586029 OLYPNLJFKTVYMI-RUZDIDTESA-N 418.516 4.125 0 1 HIAF COc1cc2ncnc(N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)c2cc1OC 96168420 XAIODTXFYVURIH-IBGZPJMESA-N 419.403 4.244 0 1 HIAF O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@@H](O4)[C@H]3c3nc4ccccc4[nH]3)ccnc2N1 150319245 LVALWLQZIOYNRM-FDFHNCONSA-N 410.433 4.277 0 1 HIAF N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccn1 223674185 ATQGBHCPSYVAOX-INIZCTEOSA-N 416.554 4.009 0 1 HIAF CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1nnc(-c2ccccc2)o1 299818902 ARMCESVRLHYIBT-GZTJUZNOSA-N 423.450 4.038 0 1 HIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 586938475 VZNAQHGGFPOUIH-JTQLQIEISA-N 415.412 4.465 0 1 HIAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(O)c2[nH]1 586984583 SWMFBVWZEBTOEP-NSHDSACASA-N 411.097 4.036 0 1 HIAF O=C(NCc1nc2cc(Br)cc(Cl)c2[nH]1)c1cc2c(s1)CCC2 587033750 ANFLKQQFEMYGLL-UHFFFAOYSA-N 410.724 4.459 0 1 HIAF Cc1cc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124920 NJOYWXZUNXSXOJ-UHFFFAOYSA-N 424.326 4.214 0 1 HIAF Nc1cc(F)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1N 587135695 BDSMIXMIYCZDME-UHFFFAOYSA-N 405.149 4.195 0 1 HIAF CNc1cccc(-c2cccc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c2)c1 587233567 SGZNVHKIUCKVNC-UHFFFAOYSA-N 406.511 4.189 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1 587413525 ROCUGKOFSONVFY-BJKOFHAPSA-N 401.418 4.003 0 1 HIAF CC(C)Cn1cc([C@@]2(C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587554801 JLXWLSSOEUBLKD-PGRDOPGGSA-N 414.408 4.367 0 1 HIAF C[C@]1(Cc2nc(-c3ccccc3)no2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586649 KZYJVOZNECIRMD-HYBUGGRVSA-N 414.417 4.405 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccncn2)s1 587614759 UCYYKLVFWHVTIG-YLJYHZDGSA-N 403.419 4.009 0 1 HIAF O=C(c1cccc(OC(F)F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658164 IVUXWKHPRFRVRS-UHFFFAOYSA-N 410.351 4.493 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Br)c2)N1 587677445 AJKCSYMKICOOST-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2Br)N1 587684617 ZFLWYKKDCLMARY-RMLUDKJBSA-N 400.089 4.369 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587697271 NGOSOLMOTMJVRS-NTCNTBNZSA-N 409.686 4.280 0 1 HIAF COC(=O)C[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587725587 FEGREDABNVLYQG-NSPYISDASA-N 410.258 4.068 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587769960 BYAJLFWRUJOKCH-JKDFXYPNSA-N 413.331 4.421 0 1 HIAF CC(C)N1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587772878 XOFCRHUTRSJQGE-ODXCJYRJSA-N 403.295 4.121 0 1 HIAF COC(=O)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 587801431 GHOLDHRDCAUKBV-BIBXISHDSA-N 417.278 4.020 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cnccn3)s2)N1 587854958 SQIPTLWXABDXCD-ABKXIKBNSA-N 405.296 4.125 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955782 OSTPAPMIKPNDHL-HXUWFJFHSA-N 405.523 4.188 0 1 HIAF NC[C@@]1(c2ccc(Cl)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962642234 OIPGDVXVDNGZOW-ILBGXUMGSA-N 403.957 4.289 0 1 HIAF Cc1ccc(-n2ncc([C@]3(C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2C)cc1 962770976 ULQFWKCKCRHANW-RBBKRZOGSA-N 413.443 4.398 0 1 HIAF CCCOc1ccc([C@]2(c3cnccc3C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962909421 MFAWVFWCQSHARX-ZCYQVOJMSA-N 420.484 4.209 0 1 HIAF Cc1cccc([C@]2(c3ccc(CN4CCC4)cc3)NCCc3c(C(=O)O)cccc32)c1 963118266 BDKWYYKWYORYIU-MHZLTWQESA-N 412.533 4.337 0 1 HIAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 10450371 WOFLBECBQRMSSQ-AWEZNQCLSA-N 403.887 4.157 0 1 HIAF COc1ccc(CC(=O)O[C@H]2Cc3ccccc3N(C(N)=O)c3ccccc32)cc1 26575458 YTYAAOXHRDHJRT-QFIPXVFZSA-N 402.450 4.295 0 1 HIAF C[C@@]1(c2ccccc2)C(=O)Nc2c(Br)cc(Br)cc2C1=O 28977896 LUKJSGYLEYSYEJ-INIZCTEOSA-N 409.077 4.304 0 1 HIAF CCOC(=O)CCC/C=C/C[C@H](COCc1ccc(OC)cc1)Cn1ccnc1 29484307 BZHVEDAKNKBZJU-LWQICCLCSA-N 400.519 4.404 0 1 HIAF COC[C@@H](CNCc1ccc(Cl)c(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1 40914774 JSBXBMQMXXLBRT-HNNXBMFYSA-N 420.340 4.299 0 1 HIAF O=C(O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 72114704 JMDLLGITZYDWJM-GOTSBHOMSA-N 403.478 4.025 0 1 HIAF CC[C@@H](C)Nc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccccc2)n1 82134153 NIWPLKPRJZRWKS-QGZVFWFLSA-N 404.514 4.335 0 1 HIAF COc1ccc(CN[C@H]2C[C@@H](C(c3ccccc3)c3ccccc3)OC[C@H]2O)cc1 95607666 RUVPTFYWDPFBOR-GVAUOCQISA-N 403.522 4.135 0 1 HIAF COc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccccc2F)cc1 100092864 MUQQZLCZSQCFKE-FIDNPTQWSA-N 417.484 4.473 0 1 HIAF Cc1cc(C)c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)cc2)c(C)c1 168874244 AAZQVPXLACRSSH-UHFFFAOYSA-N 405.498 4.353 0 1 HIAF CCOc1ccccc1CC(=O)[C@H]1C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C 299866515 WAZBEPBLIOTKPH-NRFANRHFSA-N 419.506 4.359 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3cccc4c3OCC4(C)C)nc2c1 586911709 LLYNEBTZIBUXSH-UHFFFAOYSA-N 401.260 4.449 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 586961190 QELPWEOHVVCLLA-VHSSKADRSA-N 416.934 4.306 0 1 HIAF CCOc1n[nH]c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1Br 586979451 NBIFFXGLCUMSJA-UHFFFAOYSA-N 422.027 4.155 0 1 HIAF COC(=O)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2n1 587138606 NWOLMKBMDIPKQN-UHFFFAOYSA-N 409.348 4.055 0 1 HIAF COc1cc(N)c(I)cc1-c1nc2cc(C)c(Cl)cc2[nH]1 587179682 GJCKNHCGLIKFEV-UHFFFAOYSA-N 413.646 4.387 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(O[C@@H](C)C(=O)O)c(Cl)c1)[C@@H](C2)C3=O 587424127 XLQFFZVESJAQML-LQICSGGHSA-N 423.248 4.343 0 1 HIAF COc1cc2c3c(c1)O[C@H]([C@@H]1Cc4ccccc4CN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587437626 LCNQDMRGBBNCGS-YDHSSHFGSA-N 421.493 4.173 0 1 HIAF C[C@@H]1C[C@@]2(CN1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581531 HSDFBKHLRXAQOZ-MCCOCYNGSA-N 401.462 4.387 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccnc(Br)c1 587653427 HHWIGMBBOQQNFZ-UHFFFAOYSA-N 414.209 4.488 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(F)c(Cl)cc12 587737497 ZZZILEAOCPXHLF-SKLCBMLGSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(O)ccc32)N1 587779647 VFQQOGPIPGRPDW-BIBXISHDSA-N 405.311 4.439 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587796539 LBTPXNZTMULPHM-ZUOKHONESA-N 406.295 4.238 0 1 HIAF COc1cc(C(C)=O)c(OC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587944694 GLZVZLANDYBHLO-UHFFFAOYSA-N 407.445 4.293 0 1 HIAF CCCCc1cn([C@@H](CN2CCNCC2)c2ccc3sc4ccccc4c3c2)nn1 653888036 NOPVMXNXNPUJJC-QFIPXVFZSA-N 419.598 4.483 0 1 HIAF O=C1NCCN1c1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962645875 SWRDWSRIZUXBEY-AOYPEHQESA-N 424.548 4.053 0 1 HIAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CC[C@]6(CCC[C@H]6CCO)C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356319979 XIVHQPYKFZAFJH-XDQUBNTCSA-N 416.602 4.117 0 1 HIAF COc1cc([C@@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@@H]2C)cc(O)c1OC 2356417216 VDZKDMJORWVROZ-LOMVZZFCSA-N 402.443 4.232 0 1 HIAF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 4054184 CMYMUHYIOASOOD-IFMALSPDSA-N 411.933 4.034 0 1 HIAF COc1ccc(OC)c(CCc2ccc(O)c(C(=O)NCCc3ccc(F)cc3)c2)c1 13518049 SHUXKNKYJAWVQK-UHFFFAOYSA-N 423.484 4.306 0 1 HIAF O=C(O)[C@H](Cc1cc(Br)c(O)c(Br)c1)c1ccccc1 13560823 KDHFVBYARDIROU-LLVKDONJSA-N 400.066 4.328 0 1 HIAF O=C(N[C@H](CO)c1cccc(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959253 MHZXYMWATGIBPO-HXUWFJFHSA-N 424.863 4.328 0 1 HIAF O[C@H](CNCc1ccccc1OCc1cccnc1)c1cc(Br)cs1 14966913 ZAXUDCRARHWQBN-QGZVFWFLSA-N 419.344 4.308 0 1 HIAF CC(C)CC(=O)O[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 27981360 ACBUMLHZTSHRKJ-HNOYHERFSA-N 404.547 4.196 0 1 HIAF CCc1c(Sc2ccccc2)n(COCc2cc3ccccc3o2)c(=O)[nH]c1=O 28122041 GWYQKTMYSGRNFU-UHFFFAOYSA-N 408.479 4.171 0 1 HIAF CCC(=O)OCCOC(=O)C1=C[C@@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 28965216 BIPDXWDEEHZPLE-ILBGXUMGSA-N 422.525 4.082 0 1 HIAF O=C1N(CCF)CN(c2ccccc2)C12CCN(Cc1coc3ccccc13)CC2 53226732 YVYNLGNFOSLQJL-UHFFFAOYSA-N 407.489 4.043 0 1 HIAF Cc1cc(OCCCN2C[C@H]3CCN[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 58523501 GWXYGVYIVWODLJ-VGSWGCGISA-N 408.521 4.048 0 1 HIAF NC(=O)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn23)cc1 58576066 XUFMXQYXPMWXGH-UHFFFAOYSA-N 412.280 4.414 0 1 HIAF COc1cc(OC)c(-c2ccnn2C)c(O)c1C(=O)c1cccc(Cl)c1Cl 95594355 FWQYHXIMSBEVLE-UHFFFAOYSA-N 407.253 4.348 0 1 HIAF O=C(Cc1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 95877377 IYIZTPMKRSYPHV-KHMOSXFSSA-N 416.496 4.411 0 1 HIAF Cn1ccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O 95921419 QFZKAEGCEQQJEP-UHFFFAOYSA-N 400.526 4.106 0 1 HIAF in-vitro O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21 96271924 OKGUJMNDVYLPNY-QFIPXVFZSA-N 419.912 4.126 0 1 HIAF COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](OC)[C@@H](C)[C@@H](C)C3)OCO2 139087046 ZKZBCMSCGLVFNF-SYTFOFBDSA-N 414.454 4.344 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCN(S(C)(=O)=O)CC[C@]34C)[C@@H]1CC=C2n1ccnc1 144202228 ZMVNEWSGDOHVHM-FJEIJJERSA-N 417.619 4.248 0 1 HIAF O=C(/C=C\c1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccc(O)cc2)CC1 206922870 TUIBNLHEWJOXFT-YWEYNIOJSA-N 405.325 4.493 0 1 HIAF C[C@H]1CCCC[C@H]1COc1cc(F)c(C(=O)NS(=O)(=O)C2CC2)cc1C1CC1 207148711 YMIBCYGHRXUZOT-ZFWWWQNUSA-N 409.523 4.130 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@]4(O)COC(C)=O 257505427 OQDCKOUFTOKDOD-CRJLIHAFSA-N 406.563 4.257 0 1 HIAF endogenous,in-man CCOc1n[nH]c(-c2nc3cc(Br)c(F)cc3[nH]2)c1Br 586979678 ULEPTZPGBREPHV-UHFFFAOYSA-N 404.037 4.016 0 1 HIAF CCOC(=O)c1cc(Br)c2nc(-c3cc(Cl)c(OC)cn3)[nH]c2c1 587064313 IXULHFOKEKLRMW-UHFFFAOYSA-N 410.655 4.226 0 1 HIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587116171 RDYVMQCVRJFTNC-UHFFFAOYSA-N 423.576 4.096 0 1 HIAF COc1cccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 587231893 XGCFTGIOLZBFHO-UHFFFAOYSA-N 402.454 4.461 0 1 HIAF C[C@@]1(c2ccc3oc(N)nc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336716 OGLKFMYAKOYSMJ-OFNKIYASSA-N 404.397 4.529 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 587337973 WJPTUJZJCDHXHL-IRLDBZIGSA-N 400.352 4.056 0 1 HIAF Cc1nnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 587588930 VJFRYMPYLWCEHD-UGKGYDQZSA-N 400.390 4.454 0 1 HIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O 587744186 QYPRCBBQBWSDSW-PRWKNARSSA-N 421.310 4.353 0 1 HIAF COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O 587808078 OPBUNYKYTRCLNS-GIPWTMENSA-N 422.294 4.320 0 1 HIAF Cc1cc(C)cc(OCn2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n2)c1 587876540 TUQJVLKZCKWACU-UHFFFAOYSA-N 404.401 4.333 0 1 HIAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc4cccc(Br)c4n3)c3cccc1c32 963015863 BIPBJYKCFLKLRT-YEJXKQKISA-N 408.299 4.140 0 1 HIAF CN(C(=O)NC[C@H]1CC[C@H](COCC(=O)O)CC1)C(c1ccccc1)c1ccccc1 1772639010 VOFVAIBNTPCAMB-MXVIHJGJSA-N 424.541 4.325 0 1 HIAF Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccccc3)C2)n1C 1772646538 AAPXNHMQKBDDJN-GCJKJVERSA-N 409.559 4.140 0 1 HIAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC4(CCOC4)CC3)cc2n1 1772649454 MVVNQSXTSYYNPS-UHFFFAOYSA-N 419.500 4.142 0 1 HIAF C[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1N)[C@@H](C(N)=O)c1ccccc1 1772652908 DVPHOTVMJPKYQR-QVKFZJNVSA-N 407.901 4.352 0 1 HIAF Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)n(Cc2csc(N3CCCCC3)n2)c1 1857555707 LIJUHWUSTRUFTI-UHFFFAOYSA-N 420.542 4.420 0 1 HIAF c1ccc(CN=c2ccnc(Nc3ccc(OCCN4CCCCC4)cc3)[nH]2)cc1 1857614494 BEEJUKILJGLDPM-UHFFFAOYSA-N 403.530 4.119 0 1 HIAF CCc1ccccc1C(=O)Nc1ccc2nc(N3CCN(CC)CC3)cc(C)c2c1 1857634082 ZZCGXFNLXLYZGA-UHFFFAOYSA-N 402.542 4.500 0 1 HIAF O=C1/C(=C/c2cccc(OCCOc3ccc(Cl)cc3)c2)N=C2SCCCN12 1857636531 AIGWIEWLFLLFAA-RGEXLXHISA-N 414.914 4.474 0 1 HIAF O=C(Nc1ccc(F)c(Cl)c1)[C@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61926716 UWYPUBATEDIULD-LJQANCHMSA-N 412.804 4.212 0 3 HIAF C[C@]1(C(=O)NCc2ccccc2Br)CON=C1c1ccc(Cl)cc1 768641 XTCUBCLLKZVRES-SFHVURJKSA-N 407.695 4.160 0 1 HIAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4051547 KCCBCRWZISEWHW-WOFGFMIUSA-N 416.521 4.455 0 1 HIAF O=C(O)CCCCCC[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13730279 ZYWROEIJJRJROC-KRWDZBQOSA-N 424.950 4.222 0 1 HIAF CN1C(=O)c2c(nc(-c3ccccc3)n2Cc2ccccc2)N2CC3(CCCC3)N=C12 13763703 DHWNZBCSVBKPKZ-UHFFFAOYSA-N 411.509 4.173 0 1 HIAF COc1cc2c3c(c1O)-c1cc(O)c(Oc4ccc(C=O)cc4)cc1C[C@H]3N(C)CC2 14612540 WMWVVQBLFFBYNK-LJQANCHMSA-N 417.461 4.463 0 1 HIAF biogenic C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccccc3N)CC[C@@H]12 26951590 BCKQSIZBCMVWRU-LPVOWSSQSA-N 407.558 4.121 0 1 HIAF COc1c(NC(=O)c2ccc3c(c2)CCC(C)(C)O3)c(=O)oc2c(C)c(O)ccc12 28868736 FEILPYXMFQMNKO-UHFFFAOYSA-N 409.438 4.172 0 1 HIAF CCNC(=O)Nc1ccc(-c2cnc(N)c(-c3nc4ccc(OC)cc4[nH]3)c2)cc1 45202418 ROELKJJXMDMLAT-UHFFFAOYSA-N 402.458 4.024 0 1 HIAF C[C@@H]1CN(C(=O)O[C@H]2O[C@@H](C(=O)O)[C@H](C)[C@@H](C)[C@@H]2C)CCc2ccc(Cl)cc21 95618912 DGFKLWZCLRDMAF-RVGCFNEWSA-N 409.910 4.156 0 1 HIAF world CC1(C)[C@@H]2CC[C@H](CN3C(=O)CC(=O)N(CCc4cccc(Cl)c4)C3=O)[C@H]1C2 101678190 XADKVGGRZIWFQC-JFIYKMOQSA-N 402.922 4.136 0 1 HIAF CCCCn1cc(Cn2nc(N)c3c(C(F)(F)F)cc(-c4ccccc4)nc32)nn1 103261089 QREYNOXHVAYZRF-UHFFFAOYSA-N 415.423 4.139 0 1 HIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)c2n1CCSC2)c1ccccc1 146109157 QGYFXQBOCYXHNV-QFBILLFUSA-N 411.571 4.241 0 1 HIAF O=C(Nc1ccc(OC2CCN(CCC3CC3)CC2)cc1)N1Cc2ccncc2C1 166645605 SRSYNYAFXBPSOQ-UHFFFAOYSA-N 406.530 4.273 0 1 HIAF O=[N+]([O-])c1ccc(OCc2cn(CCNc3ccnc4cc(Cl)ccc34)nn2)cc1 199104068 PJSLWGLQQKAMTA-UHFFFAOYSA-N 424.848 4.079 0 1 HIAF Cc1cc(CN2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)ccc1F 215282306 AVQGKZROIATJSS-WEVVVXLNSA-N 417.322 4.254 0 1 HIAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc3c(c2[nH]1)CCCC3 586954049 ZNYGUDRHXBCXDA-UHFFFAOYSA-N 410.524 4.366 0 1 HIAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(C(F)(F)F)c2[nH]1 586965476 YLYYRXVBWGRVOG-UHFFFAOYSA-N 421.452 4.039 0 1 HIAF N[C@H](N=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985254 MFLZZKFBYMZVEP-ZWKOTPCHSA-N 414.307 4.234 0 1 HIAF Nc1nccc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc12 587030521 GHUHPQUEHGJSRY-UHFFFAOYSA-N 409.902 4.663 0 1 HIAF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(O)cc3[nH]2)CC1 587091210 HPJILARPVZCSKX-UHFFFAOYSA-N 415.412 4.074 0 1 HIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(F)cnc(Cl)c2[nH]1 587112074 GRFFPWFACQLNCX-INIZCTEOSA-N 400.763 4.169 0 1 HIAF COc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)nn1-c1ccccc1F 587156459 OIFQINJNPUMUEC-UHFFFAOYSA-N 405.202 4.465 0 1 HIAF COc1ncc(F)cc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 587176405 SJNUSIPGDMNGNY-UHFFFAOYSA-N 406.133 4.434 0 1 HIAF O=C(N[C@H](c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1 587220449 SFHLVZCAQUREQT-JOCHJYFZSA-N 411.440 4.407 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2)c1 587235870 REHUFFMQDXQEGO-UHFFFAOYSA-N 410.477 4.065 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3NCCc4cccc2c43)[C@@H]1c1ccc(F)cc1 587346576 JLNIECWKWJTOGD-ZWSUVBHBSA-N 401.437 4.376 0 1 HIAF COc1cc(C)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587353353 YSSLBAYHHXHLSA-RDPSFJRHSA-N 419.408 4.055 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1=C(N3CCOCC3)/C(=C\c3ccccc3)CC1)O2 587397976 DCJKDPODRODCEC-WTPZTIPBSA-N 416.521 4.375 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cn3cccc(Br)c3n1)CC2=O 587458538 KUYWHQMDAYFWBN-QGZVFWFLSA-N 401.260 4.461 0 1 HIAF C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475581 PSMHVOLAWJXPEF-NBGIEHNGSA-N 421.493 4.206 0 1 HIAF CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2c(Br)cccc21 587499793 VGOHYTIFEREUDJ-OAQYLSRUSA-N 412.283 4.165 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)c(F)c(O)c(F)c1F 587554989 JZVIQIRNDGIWFD-MPBGBICISA-N 406.287 4.357 0 1 HIAF Cc1cnn(Cc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c1 587582114 OHYSIGWLVIWIEB-NFBKMPQASA-N 402.406 4.241 0 1 HIAF C[C@]1(c2ccc(N3CCCC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594224 MBQRYAGDAANRRN-RCZVLFRGSA-N 415.445 4.396 0 1 HIAF Cn1ccnc1[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613496 PCWVATCLTIHPHA-PGRDOPGGSA-N 404.447 4.093 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ncccn2)s1 587614076 QZKONEGMFOHUJI-VQIMIIECSA-N 403.419 4.009 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CN(C(=O)OC(C)(C)C)C2)N1 587761884 QRYYQHULGXRMDM-WLRWDXFRSA-N 413.331 4.205 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCC(=O)N3C)N1 587776707 YGKORXXBVDZXED-PRWKNARSSA-N 403.295 4.121 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(=O)O)[nH]c3ccccc23)N1 587795522 YAHKITLQHDVARM-XLFHBGCDSA-N 403.251 4.391 0 1 HIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCCO 587796386 KDSZUFXLNHANCP-BFUOFWGJSA-N 408.311 4.200 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccncn3)s2)N1 587856156 WJDAQXUIKHEDFD-FVMDXXJSSA-N 405.296 4.125 0 1 HIAF Cc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962958154 NFHPZXFRCWOWLT-KXBFYZLASA-N 403.816 4.005 0 1 HIAF CCOC(=O)C[C@@H]([C@]1(C)NCCc2c1sc(C)c2C)P(=O)(OCC)OCC 963029279 RIWDQYPODDGJJU-LPHOPBHVSA-N 417.508 4.314 0 1 HIAF COc1ccccc1C[C@@H]1N2CCC(CC2)[C@]12NCCc1c(OC)ccc(Cl)c12 963259822 UWZTXUNDJIXTHG-UPVQGACJSA-N 412.961 4.035 0 1 HIAF CCOC1CC([C@@H]2c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)C1 963854360 OWRNMSILENRVCM-ZTNRTKLDSA-N 403.519 4.488 0 1 HIAF COc1cccc([C@]2(C)CCN([C@H](C)c3nc(O)c4cnn(C5CCCC5)c4n3)C2)c1 1772592496 KQKSCUBNEPYAIR-VOIUYBSRSA-N 421.545 4.380 0 1 HIAF CSc1cccc(N=c2nc(C[C@@H](C)NC3CC(C)(C)NC(C)(C)C3)[nH]s2)c1 1857765768 OOCFBHULZBKRPH-CQSZACIVSA-N 419.664 4.255 0 1 HIAF O=C(NCc1cccs1)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 8520252 QFFQWWIVYRJTGH-IFMALSPDSA-N 413.502 4.016 0 1 HIAF biogenic COc1cccc2c1[C@@H]1CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)C[C@H]1C2 13733328 OTWHMVOGGXUZCR-NHCUHLMSSA-N 424.585 4.146 0 1 HIAF CCCC1([C@@H](O)C/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 26171989 XRISENIKJUKIHD-HRCDLGQHSA-N 408.579 4.344 0 1 HIAF COc1ccc(-c2nc3ccccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O 26976101 KSUQVCWZKHNZTR-UHFFFAOYSA-N 414.373 4.002 0 1 HIAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3ccccc3C)CC1)OCCC2 27737877 GOPHFZDLNMLKCA-HSZRJFAPSA-N 410.558 4.228 0 1 HIAF O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccccc3)c2)CC1 38225849 UQIDDUFVELLMJI-UHFFFAOYSA-N 423.944 4.290 0 1 HIAF CCC1(CC)C(=O)N(c2ccc(CSc3nc4cc(C(=O)O)ccc4o3)cc2)C1=O 45254651 JWJMGNYAKNROTK-UHFFFAOYSA-N 424.478 4.498 0 1 HIAF Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccc(F)cc1Cl)O3 49113995 LZINJWRNNWHKAQ-SFHVURJKSA-N 401.869 4.442 0 1 HIAF O[C@@H](COc1ccc(Cl)cc1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 64549143 WBGGAQYCINFEIY-MRXNPFEDSA-N 415.748 4.209 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccc(F)cc1 82141190 VDYFTTAWSBIQOF-MRXNPFEDSA-N 422.504 4.474 0 1 HIAF COCCn1c(-c2cccc(O)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184841 CMTXJZFVALGILQ-UHFFFAOYSA-N 409.877 4.111 0 1 HIAF O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21 96271932 IULOSGUWEJIXAA-OAQYLSRUSA-N 405.885 4.083 0 1 HIAF O=C(NCCc1ccc(O)cc1)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)cc1O 103234384 DPOBUZSKFZQTGB-UHFFFAOYSA-N 407.510 4.244 0 1 HIAF CC(C)Nc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c1 116590295 ZQYAXECAHPPKQG-JXFKEZNVSA-N 409.555 4.181 0 1 HIAF CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cccc2c1CCCC2)C1CC1 139049262 MGGIBJKKOCQPBF-JOCHJYFZSA-N 405.542 4.221 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ncc4nc(-c5ccccc5)oc4n3)C2)cc1 149633822 IEZFREPOBXLVOK-HNNXBMFYSA-N 413.481 4.086 0 1 HIAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@@H]4CCCO4)n3)c(Cl)cn2)CC1 169703728 IFQXFKKTDOBYBO-XHSDSOJGSA-N 402.926 4.103 0 1 HIAF N#Cc1cccc(-c2nn(Cc3ccc(F)cc3F)c3c2CN(C(=O)C2CC2)CC3)c1 204900533 LVLAJPSVIRTIIL-UHFFFAOYSA-N 418.447 4.043 0 1 HIAF CCOC(=O)c1ccccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205047209 ZGVVMQMFSLDKBK-UHFFFAOYSA-N 415.371 4.284 0 1 HIAF CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNC(=O)c1cc2ccncc2s1 205800985 QVSPNLDISBELTH-HNNXBMFYSA-N 401.532 4.063 0 1 HIAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC(C)C)c2n1 224082526 QZZFLPGPIFLIDL-UHFFFAOYSA-N 403.490 4.245 0 1 HIAF CC[C@@H](O)CC[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 255219361 IEUNGVZFLKERGL-OZRPZBFYSA-N 422.650 4.135 0 1 HIAF Fc1cc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 586967031 PMGNBAVZYDNCLT-UHFFFAOYSA-N 406.240 4.202 0 1 HIAF CC1=C(c2ccc3nc(-c4cc(Br)ccc4Cl)[nH]c3c2)NNC(=O)C1 586980272 MQHHXQFEZHGZRK-UHFFFAOYSA-N 417.694 4.401 0 1 HIAF COC(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 587019396 KYGNMUBRKDUFND-UHFFFAOYSA-N 407.455 4.041 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(C)cnc(Cl)c3[nH]2)cc1 587041792 GFGSLZFGVNTFIE-CQSZACIVSA-N 402.907 4.206 0 1 HIAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3c(N)ccnc3[nH]2)cc1OC 587057571 PQVARFQXNXCTHZ-UHFFFAOYSA-N 423.860 4.130 0 1 HIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587108895 IBLZKIDLUXNROW-UHFFFAOYSA-N 410.661 4.361 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587328837 KKVQECZMVPMAOP-KNQAVFIVSA-N 409.800 4.391 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 587337928 WGCVWSVUFFGAGX-KNQAVFIVSA-N 414.335 4.149 0 1 HIAF COc1cc(N)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 587340813 WWDQEEZDJPKVIL-QPPBQGQZSA-N 423.440 4.405 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(=O)n(Cc3c(F)cccc3Cl)c1)O2 587383132 XYSCDJZJILACAT-FQEVSTJZSA-N 412.848 4.286 0 1 HIAF CN(C)/C=C/[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567482 ASIJWHKIMYANKD-AUJBNRGBSA-N 405.425 4.464 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579306 DCVLGOGQZSDOQV-QPPBQGQZSA-N 413.433 4.293 0 1 HIAF CC1(C)Oc2ccc(C(=O)O)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587615250 FVTVKXDBOOFHHS-NTKDMRAZSA-N 418.401 4.119 0 1 HIAF COc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1F 587655992 RXBBLZXZDMWMMR-UHFFFAOYSA-N 410.351 4.178 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3ccc(Cl)cc32)N1 587703765 ZUMBOLBEIINPQI-YYSFKGJASA-N 410.670 4.329 0 1 HIAF CCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)n1 587720886 OOCKYDQKHFDADG-XLKFXECMSA-N 406.221 4.447 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2N2CCSCC2)N1 587853958 BPOQSBAIMJJEIC-AZOIQLNYSA-N 413.400 4.309 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)sc(=O)n3C)N1 587858005 WXOVJWOHXOIWIP-HUTHGQBESA-N 407.308 4.125 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(-n2cccc2)cc1 587867859 CVUSHDKHLNNIMG-UHFFFAOYSA-N 412.371 4.452 0 1 HIAF C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962920848 MTLKZAYAHDEHSE-GBXCKJPGSA-N 423.415 4.192 0 1 HIAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCc1cccc(OC(F)(F)F)c1 771395 PHVLLTYVPZJTSY-HXUWFJFHSA-N 422.403 4.041 0 1 HIAF CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 4205385 USZOQDIAEYNHIZ-VWPQPMDRSA-N 414.933 4.442 0 1 HIAF Cc1ccnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)c1 4793816 WLZGARCMSDGRQK-ZEQRLZLVSA-N 424.504 4.431 0 1 HIAF C[C@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 10450370 WOFLBECBQRMSSQ-CQSZACIVSA-N 403.887 4.157 0 1 HIAF Cc1ccc(NC(=O)C2(NS(=O)(=O)c3cccc4cccnc34)CCCCC2)cc1 20377569 BVOFVPMQLOIUSR-UHFFFAOYSA-N 423.538 4.163 0 1 HIAF COc1ccc2nc([S@@](=O)Cc3nc4cc(Cl)ccc4n4cccc34)[nH]c2c1 28638918 DYYMRQHORIQMFZ-MUUNZHRXSA-N 410.886 4.334 0 1 HIAF Cc1ccccc1CNc1cc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29132573 PZWIQKRGUIBAAG-UHFFFAOYSA-N 421.444 4.486 0 1 HIAF O=C1CCCCN1Cc1ccc(CN2CCN(c3cccc4ccoc34)CC2)s1 53246842 HFSBIPAYKIUXKW-UHFFFAOYSA-N 409.555 4.329 0 1 HIAF O=C(CCC(=O)N1CCC(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCNCC2 73158507 BDPAOYXGJJVLCG-UHFFFAOYSA-N 424.972 4.397 0 1 HIAF CCN(Cc1ccccc1)C(=O)c1cnc(NCCOC)nc1-c1ccc(F)cc1 82141759 RWYIESDYQYQGPP-UHFFFAOYSA-N 408.477 4.003 0 1 HIAF COc1cc(OC)nc([C@@H]2CCCC[C@H]2C(=O)NCc2ccc(Cl)c(Cl)c2)n1 98208333 WLATXSVSKGEBKX-ZIAGYGMSSA-N 424.328 4.391 0 1 HIAF in-vitro COc1cc(C(=O)O[C@H]2CCC3=C(C2)C[C@@H](N2CCCCC2)C3)cc(OC)c1OC 169343101 QQDPQVJKMPLQGN-PMACEKPBSA-N 415.530 4.367 0 1 HIAF CC1=CC(=O)N(Nc2nc(-c3ccncc3)nc3scc(-c4cccs4)c23)C1=O 169349385 JCZKCLFATQQMAG-UHFFFAOYSA-N 419.491 4.124 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@H]3c3cccs3)sc2c1 169692341 RISPKVKBGICOLK-IAGOWNOFSA-N 422.487 4.415 0 1 HIAF O=C1O/C(=C\c2nc3c(Br)cnc(Br)c3[nH]2)c2ccccc21 586905842 DZNVDDCPLGHRJQ-YHYXMXQVSA-N 421.048 4.151 0 1 HIAF Clc1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c(Cl)n1 586969935 QUMMQBSIBYNCBP-UHFFFAOYSA-N 422.253 4.336 0 1 HIAF COc1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 587032909 VRQAKJOPOSOTTL-BZPKPHBRSA-N 401.517 4.093 0 1 HIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1 587039123 PWHAUXZUNNQXSM-UHFFFAOYSA-N 401.370 4.327 0 1 HIAF Cc1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073759 MFLDWTMLSILQHC-UHFFFAOYSA-N 407.840 4.156 0 1 HIAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(OC(C)C)cc2[nH]1 587181840 FLEMUFAXLIYINV-LLVKDONJSA-N 410.259 4.069 0 1 HIAF Cc1cccnc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329964 BAAJTHNTAMKUGZ-XUZZJYLKSA-N 420.440 4.381 0 1 HIAF CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332344 GDOJSZLSLCRBMX-HVVFZDMJSA-N 423.484 4.331 0 1 HIAF CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587389914 KUSRCXCSWXERSN-YADHBBJMSA-N 404.466 4.238 0 1 HIAF O=C(CCNc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657318 YGJMNVVZYDBZCP-UHFFFAOYSA-N 405.404 4.484 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccco2)N1 587720375 NAUPFDLPUQEZLH-XYZCENFISA-N 402.210 4.183 0 1 HIAF COc1ccc(-n2cccn2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587756435 DRDDABYKIXXNHX-FKIZINRSSA-N 416.294 4.406 0 1 HIAF COC(=O)[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809151 QXNFEJHBKYSBOS-RBZFPXEDSA-N 406.295 4.124 0 1 HIAF CCN(C(C)=O)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587856114 YAFVWEMSOVSAPA-JDNHERCYSA-N 412.328 4.041 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3[C@@H]3CCCN3C)nc(Cl)c2C)s1 653808344 KCVSSWIVRALAID-XHSDSOJGSA-N 421.998 4.233 0 1 HIAF CCCCC[C@@]1(c2ccccn2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962623390 BKZPWHTVIOJYST-YWZLYKJASA-N 408.420 4.403 0 1 HIAF O=C(COc1ccccc1[C@H]1c2ccsc2CCN1Cc1ccco1)N1CCCC1 962701657 CNRVMSKMBAVFPZ-DEOSSOPVSA-N 422.550 4.490 0 1 HIAF CCCC[S@](=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N 1772657766 GPRBWEBJLQKFDL-MHZLTWQESA-N 417.585 4.310 0 1 HIAF COc1cc2nc(-c3cccc(N4CCN(C)CC4)c3)cc(O)c2cc1-c1cnco1 12354283 WOVYWPQNDPJFPF-UHFFFAOYSA-N 416.481 4.023 0 1 HIAF CCCCc1nc2cnnc(O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 25973299 ZNDMLFMZBUHBMB-UHFFFAOYSA-N 402.454 4.288 0 1 HIAF CC(=O)Nc1cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2oc1=O 26572338 BZLOZLXDFLNBRT-UHFFFAOYSA-N 404.422 4.336 0 1 HIAF COC(=O)c1cc2c(c(C)c1C(=O)OC)C(C)=C[C@@H]1[C@@](C)(C(=O)OC)CCC[C@]21C 27525020 SPRAEOJLDYPFQW-VWMXVWASSA-N 414.498 4.222 0 1 HIAF Fc1ccc(CN2CCCN(c3ncnc4oc(-c5ccccc5)nc34)CC2)cc1 28101041 NDVYWCNBQQBDQD-UHFFFAOYSA-N 403.461 4.136 0 1 HIAF CCOC(=O)COc1ccc(C(=O)c2ccc(Cl)c(CN)c2)c(Cl)c1Cl 29339790 BHXMNYLLQBUZKR-UHFFFAOYSA-N 416.688 4.278 0 1 HIAF COC(=O)[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 33363662 GEWBGEMWHVXRLS-ZLNRFVROSA-N 421.518 4.182 0 1 HIAF OC[C@H]1CCCN1CCc1ccc(C2=CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 36289118 CNPAPCMIYUFOOZ-RGSZASNESA-N 402.582 4.221 0 1 HIAF Cc1cccc(Cn2nc(-c3nc(CNC(=O)OC(C)(C)C)no3)c3ccccc32)c1 40878739 HHLVJZMISFPBND-UHFFFAOYSA-N 419.485 4.468 0 1 HIAF CCNC(=N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1 40976833 IUARBIFUFCHZPF-UHFFFAOYSA-N 421.888 4.174 0 1 HIAF CN(Cc1cccc(F)c1)[C@@H]1CCN(c2cc(NC(=O)c3ccc(F)cc3)ccn2)C1 45193223 OOZULWCFNJXCGH-JOCHJYFZSA-N 422.479 4.323 0 1 HIAF CCOC(=O)Cc1nc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)no1 73139109 PGKNFSQFXOTPTC-SFHVURJKSA-N 410.861 4.184 0 1 HIAF O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@@H](O)CNCc1ccccc1 73293302 GTEUMOCTWVFOHL-QFIPXVFZSA-N 407.485 4.171 0 1 HIAF CCn1c(=O)n2c(c/c1=N/c1c(C)cc(C)cc1C)-c1cc(OC)c(OC)cc1CC2 100788274 ZVQQLAGXLKLVOD-RWEWTDSWSA-N 419.525 4.068 0 1 HIAF CO[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 118919936 YFCXYSVMBVPMGK-OPKNLNMWSA-N 422.606 4.103 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 169715606 OVVXVZAZBPKKKE-UHFFFAOYSA-N 408.479 4.318 0 1 HIAF CCOC(=O)c1c[nH]c2ncnc(-c3cccc(Nc4nc(Cl)ns4)c3)c12 218979145 BBIQFSOCGAJPGP-UHFFFAOYSA-N 400.851 4.050 0 1 HIAF C[C@@H]1c2ncnc(-c3ccn[nH]3)c2CCN1C(=O)c1ccc(Cl)c(F)c1Cl 225928027 LOJONRQOONJVNB-SECBINFHSA-N 406.248 4.072 0 1 HIAF Fc1ccc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1F 226039292 UTIVGPUDPLFKLA-UHFFFAOYSA-N 420.467 4.377 0 1 HIAF COC(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 586999792 BWRZLZUNYFXDBM-DJWKRKHSSA-N 415.243 4.054 0 1 HIAF FC(F)(F)Oc1cccc(CSCc2nc3nc(Br)c[nH]c-3n2)c1 587125178 QUBQDLDGBHOANF-UHFFFAOYSA-N 419.226 4.399 0 1 HIAF O=S(=O)(c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1)C(F)(F)F 587152839 SIMLYUHMPOCHFA-WDEREUQCSA-N 402.344 4.406 0 1 HIAF CC[C@H](c1nc2cc(Cl)c(F)cc2[nH]1)n1cc(I)c(C)n1 587184561 CERDXSJXQFGEJF-CYBMUJFWSA-N 418.641 4.464 0 1 HIAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587224778 JUZRNNHMKSXSTQ-UHFFFAOYSA-N 424.354 4.219 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)NC3CCCC3)c3ccccc13)O2 587391284 RECCBQPVIOOEAX-HSZRJFAPSA-N 417.509 4.297 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(N)ccc(O)c21 587472299 FWYDXIMHLIJISW-VWLOTQADSA-N 415.445 4.086 0 1 HIAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCOCC1 587518987 SFWMEYBXXGVRPM-XMMPIXPASA-N 407.510 4.113 0 1 HIAF C[C@@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587533270 RUTFUBSPMFWSQD-DEOSSOPVSA-N 421.518 4.485 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(Br)ccc1F 587570752 XTEAFXLALXFLCR-DNVCBOLYSA-N 416.202 4.392 0 1 HIAF C[C@@]1(c2c[nH]c3cc(C(=O)O)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589128 NPILKCVJBRQGRD-RDPSFJRHSA-N 415.401 4.449 0 1 HIAF CCn1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587711958 YVQSXISYZAKKMA-RFAUZJTJSA-N 406.221 4.145 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ncc[nH]2)N1 587735532 QGNAEBHERRVANQ-NSPYISDASA-N 404.258 4.277 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCN(C)N=O)(c2cccnc2)N1 587756529 QZVJVAMWAQANFU-YJYMSZOUSA-N 421.314 4.154 0 1 HIAF COc1ccccc1OCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587861935 DWJVUKAZGAYPCH-UHFFFAOYSA-N 406.360 4.305 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CCN1Cc1ccccc1 587864335 XOFSEMBOJVFDPI-IBGZPJMESA-N 415.415 4.492 0 1 HIAF Cc1c(F)ccc2c1[C@H]([C@H]1[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]1C3)NCC2 962089040 FPQOONNKKHYSAB-GGEUNONFSA-N 406.501 4.438 0 1 HIAF CC(C)c1nn(C)c2c1[C@@H](c1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC3)NCC2 962921319 SRVRIMHBTATZLK-JOCHJYFZSA-N 410.562 4.072 0 1 HIAF COc1ccccc1[C@@]1(CCCCC(=O)O)NCCc2cnc3c(OC)cccc3c21 963063882 FTKWQXMQYPAPGI-RUZDIDTESA-N 420.509 4.286 0 1 HIAF O=C1[C@@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccc(C(F)F)cc1 1772577431 GCQLNUHXJBJHGL-HBMCJLEFSA-N 418.459 4.258 0 1 HIAF CCOc1ccc(Cl)cc1[C@@H](C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1857633229 NVTMCDCONQTRQY-LLVKDONJSA-N 417.314 4.141 0 1 HIAF CN1C[C@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 2356804314 ABMZEGWLFWAVTB-RTWAWAEBSA-N 416.456 4.204 0 1 HIAF Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)Cc1ccc(F)cc1)CC(=O)N2 2456270 XSTXAYQXYIJEKK-XMMPIXPASA-N 406.432 4.386 0 1 HIAF COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(C)=O)CC(C)(C)O2 2486605 CWYOACPSDRSIPR-QFIPXVFZSA-N 424.541 4.104 0 1 HIAF C1=N/CCOCC/N=C/c2ccccc2OCc2cccc(n2)COc2ccccc2/1 5597078 DSHVOUCGIOLILK-CTVDDJEBSA-N 415.493 4.108 0 1 HIAF CCn1cc2nc(SCc3ccccc3F)n(Cc3ccc(C)cc3)c(=O)c2n1 7006364 YPTMDQHKBKJTML-UHFFFAOYSA-N 408.502 4.401 0 1 HIAF CCC[C@@]1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 26480007 OKARPYQDCSPETI-GGAORHGYSA-N 410.470 4.038 0 1 HIAF COc1cc2c(cc1OC)C[C@H](NCCC1c3ccccc3-c3ccccc31)[C@@H](O)C2 27717746 MKZRMUAVZAAZAW-DQEYMECFSA-N 415.533 4.324 0 1 HIAF CC(C)n1c(CNC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 29135246 YFRRALFCIYBGNR-UHFFFAOYSA-N 404.392 4.318 0 1 HIAF O=C1O[C@@](CO)(COC(=O)c2ccc(C(F)(F)F)cc2)C/C1=C/C1CCCCC1 45497072 ALUAJHJNQWUKDB-PDANQNNMSA-N 412.404 4.047 0 1 HIAF CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](O)C(C)(C)C 73168664 XHPNYYOUZWOWNT-SJLPKXTDSA-N 411.554 4.012 0 1 HIAF Cc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)cc(C)n1 95574423 VBXIQPLJRJDWHB-VWLOTQADSA-N 409.468 4.305 0 1 HIAF c1cc(-c2nn(C3C[C@H]4CC[C@H](C3)N4)cc2-c2ccc3c(c2)Cc2c[nH]nc2-3)ccn1 101417488 IUXJVYUKPTXHGQ-WOJBJXKFSA-N 408.509 4.362 0 1 HIAF CC(=O)N1C[C@@H]2C[C@@H]1CN2Cc1coc2cc(Oc3nc4cccnc4s3)ccc12 101656202 MCQDKCRFPCIJBM-JKSUJKDBSA-N 420.494 4.035 0 1 HIAF CCCN(CCC)C(=O)c1ccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)cc1 204410314 NKJQMMAQLCXOJA-QHCPKHFHSA-N 415.553 4.256 0 1 HIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 586930529 KTKPQLCQMZFMIU-UHFFFAOYSA-N 413.421 4.159 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587017445 WUUUXYZNNHUJCG-CYBMUJFWSA-N 422.304 4.477 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc12 587073894 NCYSXDRBDVPVFQ-UHFFFAOYSA-N 417.698 4.297 0 1 HIAF CC1=C(c2ccc3nc(Cc4ccc(C)c(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 587095745 TUGMRQXVXPISID-UHFFFAOYSA-N 400.404 4.236 0 1 HIAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Br)cccc4[nH]3)no2)n1 587117612 FQCITWKMEPLALQ-UHFFFAOYSA-N 412.169 4.244 0 1 HIAF COc1cc(-c2nc3ccc(C(=N)N)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144425 WZUNPVFKWJAWQI-UHFFFAOYSA-N 404.401 4.027 0 1 HIAF COC(=O)C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339578 YYIBBSHQVUTARX-VWNXMTODSA-N 424.399 4.488 0 1 HIAF C[C@@H]1CCCCN1C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346561 RWUGPMHXDMPTMF-CHVDNLQBSA-N 411.473 4.440 0 1 HIAF Cc1ccc2c(c1)OC[C@]1(CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354915 BXFXQDCLIRGOLF-UPVQGACJSA-N 406.409 4.409 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccccc1Br)O2 587378021 RIJTYZZLHLCPJA-IBGZPJMESA-N 403.276 4.092 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@H](C(=O)O)c3ccccc3)c1)O2 587398974 HAFNMNRDBVTBQE-YADHBBJMSA-N 403.434 4.488 0 1 HIAF COc1ccc([C@@H](O)[C@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403465 MKDPPKDSRHVDFN-JWQCQUIFSA-N 419.477 4.189 0 1 HIAF CN(C)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572698 PXTQIISTBHOQMQ-URXFXBBRSA-N 405.450 4.036 0 1 HIAF CC(C)(C)OC(=O)N1CC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591665 GBSAVZMMZHUORL-SFHVURJKSA-N 423.465 4.124 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Br)N1 587677422 AFHACDOIJYEXEA-RTHLEPHNSA-N 400.089 4.369 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587754049 KKHIYWLGHQBQLQ-BFUOFWGJSA-N 415.310 4.409 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587802542 MRAMAISXLUFSFB-OVWNDWIMSA-N 417.278 4.480 0 1 HIAF CCOC(=O)CCC[C@@]1(c2ccccc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962731952 VCDQYOHYRCIZEM-UGKGYDQZSA-N 419.443 4.309 0 1 HIAF Cn1cc(-c2ccc3nc(NC(=O)C4CCCC4)cn3n2)c(-c2ccc(F)cc2)n1 1772588294 BMWJGXAWSPYKAG-UHFFFAOYSA-N 404.449 4.065 0 1 HIAF CCCCCc1ccc(C(=O)Nc2ccc3c(c2)[nH]c(=N)n3CCc2cnc[nH]2)cc1 1857536489 STLPRPZBAPCXRD-UHFFFAOYSA-N 416.529 4.400 0 1 HIAF CCn1c([C@](O)(c2ccc(F)cc2)c2ncccc2C)nc2ccc(CCCO)cc21 1857606878 WRLRNTKHZKXOBC-VWLOTQADSA-N 419.500 4.108 0 1 HIAF CC(C)=Cc1c(O)ccc(-c2coc3cc4c(c(O)c3c2=O)C[C@H](C(C)(C)O)O4)c1O 2356703082 LELMASAVWARMJO-LJQANCHMSA-N 424.449 4.074 0 1 HIAF COc1ccc(-c2cn(Cc3ccc(C(N)=O)cc3)c(-c3ccc(Cl)nc3)n2)cc1 36387391 SIKGSHWCRUNJTB-UHFFFAOYSA-N 418.884 4.421 0 3 HIAF CC[C@@H](C)c1cc(=O)oc2c(C(=O)C[C@H](C)CO)c(O)c(CC=C(C)C)c(O)c12 14586116 ZLUSGBMZNWJLHJ-UONOGXRCSA-N 402.487 4.428 0 1 HIAF biogenic COC(=O)c1cc2ccccc2n1CCCCCCCCOC(=O)c1cc[n+](C)cc1 27082445 BGVPZOQYANIEQZ-UHFFFAOYSA-N 423.533 4.450 0 1 HIAF CC[C@H]1CC[C@@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[nH]c3=O)S[C@@H]2C1 28524132 ATVDVPAZNBSTDN-DETPVDSQSA-N 402.516 4.231 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4C(=O)O[C@@H](O)[C@@H]4[C@@]3(C)[C@H](O)C[C@H]21 28969540 ATVQOEWPZTUPDT-PNXXKSHTSA-N 402.575 4.444 0 1 HIAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(OCC4CC4)C=C[C@@]3(C[C@@H]2C(C)(C)C)[C@H]1C5 49072500 KFUPOJIZZGXURM-JZGHPPSWSA-N 421.581 4.439 0 1 HIAF O=S(=O)(Nc1cc(-c2ccc3nc[nH]c3c2)cnc1Cl)c1ccc(F)cc1 72180898 DCYHRPCQNLKFKP-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF O=C(O)Cn1c2c(c3ccccc31)CCN(Cc1ccc(C(F)(F)F)cc1)C2=S 73198541 ZHCFANIYRYFINK-UHFFFAOYSA-N 418.440 4.479 0 1 HIAF CC1(C)OC(c2ccc(S(C)(=O)=O)c(Br)c2)=C(c2ccccc2)C1=O 80928086 VLFASQBCIFUPLP-UHFFFAOYSA-N 421.312 4.099 0 1 HIAF Cn1c(NC[C@@H]2CCCO2)nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21 82083396 VXBCMCBXVXGJLM-AWEZNQCLSA-N 407.396 4.201 0 1 HIAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC 82127364 YNOITXDVNRSCDZ-AEFFLSMTSA-N 422.529 4.454 0 1 HIAF Cc1nc(-c2ccccc2F)c2c(N3CCc4ccc(C5CC5)nc4C3)ncnn12 169711707 RTMBJAADFQTAQK-UHFFFAOYSA-N 400.461 4.074 0 1 HIAF Cc1cc(C)c(-c2nc([C@H](C)O)[nH]c2C)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 219090845 VINHYLOQNZOEFD-KRWDZBQOSA-N 414.509 4.167 0 1 HIAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnc2cc(C(=O)O)nn12 587108006 XKVPMZNTLHLTCU-UHFFFAOYSA-N 406.401 4.163 0 1 HIAF Oc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 587157939 QALKIPNKOQEBKN-UHFFFAOYSA-N 403.211 4.005 0 1 HIAF Fc1ccc(-c2cnn(Cc3nc4c(Cl)c(Br)cnc4[nH]3)c2)cc1 587165179 LYBJOOXIODDBQK-UHFFFAOYSA-N 406.646 4.425 0 1 HIAF Cn1ccnc1[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339013 DCQGYLHWRMOWLI-OFNKIYASSA-N 404.397 4.161 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@H](C(=O)O)[C@H]2C3)c1 587363643 RUULZRFZICCIKO-UYFSRDTQSA-N 414.461 4.044 0 1 HIAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ncnn12 587371745 FVWBUTBHJXISRY-LAUBAEHRSA-N 409.442 4.218 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(N)c(Cl)cc21 587379184 GKUHJOVUAJHZFQ-HSZRJFAPSA-N 404.853 4.266 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(C(OC)(OC)c1ccccc1)[C@@H](C2)C3=O 587438256 DNAYZMIGTQKOOY-SQJMNOBHSA-N 416.473 4.484 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1ccc(Br)cc1)CC2=O 587459006 VSEWXBMAXXSQLF-FQEVSTJZSA-N 419.271 4.141 0 1 HIAF CCN(CC)CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518602 LZLBXTPXMVGWOI-SANMLTNESA-N 418.537 4.115 0 1 HIAF Oc1ccc(CC/C=C/c2nc3nc(O)nc(O)c3cc2Cc2ccc(O)cc2)cc1 587561842 XJFUUYWRVWXGCA-DUXPYHPUSA-N 415.449 4.084 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1ccnc1)c1cccc(F)c1 587572053 QWGMJDSTIALULU-QPPBQGQZSA-N 416.408 4.285 0 1 HIAF CCOC(=O)CC[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587768389 CRDSVKRELFRQCY-XCLFUZPHSA-N 421.310 4.104 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCn3c(O)nc4cccc2c43)N1 587777956 KEUOWCOOUDGODU-YBTHPKLGSA-N 416.294 4.215 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)[nH]c3ccccc23)N1 587792593 PIDAJAQMVISQSW-HUTHGQBESA-N 403.251 4.391 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCC(=O)O)cc2)N1 587793529 NLRDLBXMAIAZJE-MPBGBICISA-N 422.294 4.455 0 1 HIAF COC(=O)C[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587805494 HECCOGXWPYUZIM-ZUOKHONESA-N 406.295 4.124 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3cnn(C)c3)cs2)N1 587852600 HOJSDMFAWVWAKN-JDNHERCYSA-N 407.312 4.069 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 587872024 HATUKHSBYRVNKG-UHFFFAOYSA-N 417.481 4.375 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@]2(CCc3c(F)cccc3C2)N1 962918369 IMRVMJILWYNWEE-UKILVPOCSA-N 419.452 4.307 0 1 HIAF CCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)oc2ccc(Cl)cc12 1857614413 NDOAOPPTOPCWNU-UHFFFAOYSA-N 412.917 4.458 0 1 HIAF CCSC(=O)c1c(CC)c(C(=O)OCCF)c(-c2ccccc2)[n+](C)c1CC 13801277 RGKCKONBHBOGHP-UHFFFAOYSA-N 404.527 4.323 0 1 HIAF C/C(=C\COC(=O)CC(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=CCC[C@@H]31 14446973 KCSXWFRRJNDLTQ-HYPXSTPHSA-N 404.503 4.047 0 1 HIAF O=C(Nc1ccc(Cl)cc1)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 27425538 LJCDYOZXZSZCAO-HXUWFJFHSA-N 404.857 4.277 0 1 HIAF CN1CCN(c2ncc3c(n2)-c2ccc(Cl)cc2C(c2ccccc2F)=NC3)CC1 29343032 DTXWWRDQDYMLGU-UHFFFAOYSA-N 421.907 4.039 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2C[C@@H](c3ccccc3)CC[C@H]2C1 58569154 ILBCFHDOQNPYQO-BZSNNMDCSA-N 413.949 4.071 0 1 HIAF C[C@@H]1CCCN1CCCOc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)cc1 73223320 ZSENVPCQTMOTFC-HXUWFJFHSA-N 405.542 4.467 0 1 HIAF COc1cccc(OC)c1CNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccco2)n1 82141920 CLGRKWJPKLDKBA-UHFFFAOYSA-N 424.501 4.094 0 1 HIAF S=C1NC2=C(CNC/C2=C\c2ccccc2Cl)[C@@H](c2ccccc2Cl)N1 101679962 KKTZFVSYZRVTQF-XWGMLZDCSA-N 402.350 4.453 0 1 HIAF O=S(=O)(c1cccc(Cl)c1)c1cnc2cc(Cl)ccc2c1N1CCOCC1 144304672 ZGGAFBJUWXEOSB-UHFFFAOYSA-N 423.321 4.211 0 1 HIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(OCC(F)F)c1 167124431 KYSCRMHLIVJYBV-PBHICJAKSA-N 405.441 4.457 0 1 HIAF C=[S@](=O)(NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)c1ccccc1 169690301 LFKNOSGTSPOGOH-AREMUKBSSA-N 409.294 4.377 0 1 HIAF COc1ccc(C(=O)N(C)c2nc(-c3cc(OC)c(OC)c(OC)c3)cs2)cc1 207482461 DQXAKYSPSMOTEB-UHFFFAOYSA-N 414.483 4.121 0 1 HIAF COc1cc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)ccc1-c1nc(C)no1 299835553 XHLUYXKYEUFUJS-QGZVFWFLSA-N 420.448 4.454 0 1 HIAF Ic1cnc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587023394 KJVOMSBFLFUZRQ-UHFFFAOYSA-N 404.236 4.353 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(F)cnc(Cl)c3[nH]2)cc1 587043977 WQEAITQGJZRETH-ZDUSSCGKSA-N 406.870 4.037 0 1 HIAF Cc1cc(-c2nc3cnc(N)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061428 LVASJRAELNCWRF-UHFFFAOYSA-N 403.877 4.270 0 1 HIAF CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 587396208 XVKNMBLJVMDPAW-XMMPIXPASA-N 400.434 4.498 0 1 HIAF COc1cc2c3c(c1)OC1(CCN(Cc4ccccc4C(F)(F)F)CC1)[C@@H](C2)C3=O 587421654 QMVWENAOFPLVPP-SFHVURJKSA-N 417.427 4.496 0 1 HIAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)OCc3ccccc3)CC1)CC2=O 587476045 OGQKIJHYSWHOGB-UHFFFAOYSA-N 409.482 4.481 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOCCOC)cc1)CC2=O 587479688 JANIQUYNQMCMBS-JOCHJYFZSA-N 400.471 4.093 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(SC)cc1)CC2=O 587493048 QAUCZACLCXZLGK-JOCHJYFZSA-N 400.496 4.490 0 1 HIAF COc1ccccc1NC(=O)[C@@H](N=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511761 NKLIDVGOKUJAEZ-GGAORHGYSA-N 408.454 4.072 0 1 HIAF COc1ccc([C@@]2(CCN(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587574297 WVOIETDBBNYXFS-WIOPSUGQSA-N 419.477 4.210 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(Br)n1 587616266 ZOTPYDFDZSLDHF-CJNGLKHVSA-N 404.241 4.314 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2N2CCOCC2)N1 587723589 XNYKBHGURUUAFF-BUXKBTBVSA-N 423.301 4.188 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C2)N1 587742984 MTULHFYINKHATI-MJLGCCKJSA-N 413.331 4.395 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(Cc3ccccc3)C[C@H]2C)N1 587763170 XHMNOIKUENSVBI-VTJXTGGHSA-N 403.339 4.470 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(C2CCOCC2)N1 587770676 BARUAIHHSZJDBQ-ZUOKHONESA-N 405.311 4.188 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(Cc3cccnc3)CC2)N1 587771028 UWZDADNDAOGKKD-LHSJRXKWSA-N 418.354 4.471 0 1 HIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587787382 VDXGNEGDWDUJEG-MNOVXSKESA-N 406.667 4.317 0 1 HIAF COC(=O)c1cccc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c12 587927643 VIHYSTFQSVUNOD-UHFFFAOYSA-N 404.422 4.406 0 1 HIAF O=C(/C=C\c1ccccc1O)N1N=C(c2ccncc2)O[C@H]1c1c[nH]c2ccccc12 653720692 YJFKFHHJISZHRS-DHSLYTQISA-N 410.433 4.201 0 1 HIAF Cc1cc2c(cc1O)[C@]1(CCc3c(OCc4ccccc4)cccc31)N[C@H](C(=O)O)C2 963548035 DGTRZAIKPBEJFJ-BKMJKUGQSA-N 415.489 4.068 0 1 HIAF CCOCc1c(-c2ccc(C(=N)N)cc2)oc(-c2ccc(C(=N)N)cc2)c1COCC 1772605597 QBSGRDHCEKEKTO-UHFFFAOYSA-N 420.513 4.255 0 1 HIAF Cn1cc(-c2ccc(C(F)F)cc2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 1857543054 IRYIUGRBRQKYQO-UHFFFAOYSA-N 404.438 4.005 0 1 HIAF CC1=CC[C@@H]2[C@H]([C@H](C)C(=O)O)CC[C@]2(C)C[C@H](O)[C@](C)(O)CC=C2[C@@H]1CC[C@@]2(C)O 2356588612 BKGYJGMVRKCUQI-ZWIQCKTCSA-N 420.590 4.069 0 1 HIAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCc2c(Cl)cccc2Cl)cc1 769877 CCJVVZLZJBADBS-NRFANRHFSA-N 420.340 4.159 0 1 HIAF Cc1c(C(=O)N2CCCCCC2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12 2459702 JKBMWPJKYGYBJF-UHFFFAOYSA-N 418.559 4.322 0 1 HIAF CN(c1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1)S(C)(=O)=O 13560452 MSRIHXQVLZLNCJ-UHFFFAOYSA-N 407.495 4.342 0 1 HIAF N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1COCc1ccccc1 14947630 FNEAEWIAOSSBDK-UIOOFZCWSA-N 414.549 4.431 0 1 HIAF CCCc1cc(OCC)cc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28257990 QCNCFUIDGQSSKJ-UHFFFAOYSA-N 415.497 4.095 0 1 HIAF C[C@H](C1CC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823216 WZELMIGAHJXWFE-GFCCVEGCSA-N 400.327 4.480 0 1 HIAF C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc2c(c1)S(=O)(=O)c1ccccc1N2 45230807 YRMWHBYBFCTAFY-VGSWGCGISA-N 422.550 4.221 0 1 HIAF CN(C)c1cccc2c1nc(-c1ccc3c(c1)CCO3)n2CCNCc1ccccc1 45302471 MOKLBNKQVQKWHX-UHFFFAOYSA-N 412.537 4.494 0 1 HIAF Cn1c(CN2CCC(c3ccc(OC(F)(F)F)cc3F)CC2)nc2ncccc21 71329700 WVBOYSGJAJVORN-UHFFFAOYSA-N 408.399 4.386 0 1 HIAF O=C([C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1)N1CCCCC1 82085402 IHNVOTCXBUKXMR-OAQYLSRUSA-N 403.482 4.112 0 1 HIAF COCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2)n1 82134196 FUPURUYCIJDRHW-UHFFFAOYSA-N 404.514 4.253 0 1 HIAF COCCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccc(F)cc2)n1 82136251 NZDXHHAVCOVYGW-BEFAXECRSA-N 400.498 4.040 0 1 HIAF Fc1ccccc1CCNc1ncnc2c1nc(C1CC1)n2CCc1ccccn1 82181024 QTODRQWRIUWERI-UHFFFAOYSA-N 402.477 4.135 0 1 HIAF O=C(N[C@@H]1COc2cccc(-c3ccccn3)c2C1)c1ccc(OC(F)(F)F)cc1 84728263 WUTWQZOYYMPYFU-HNNXBMFYSA-N 414.383 4.381 0 1 HIAF O=S1(=O)N=[S@@](c2ccc(Br)cc2)c2ccc(C(F)(F)F)cc21 95561860 YNELQQJKQGMKNY-OAQYLSRUSA-N 410.236 4.390 0 1 HIAF COc1cc(C(=O)c2nc(-c3ccccc3)cn2-c2ccccn2)cc(OC)c1OC 95584762 MITKSFPXYRIFBX-UHFFFAOYSA-N 415.449 4.191 0 1 HIAF FC1(COc2cccc3ccc(-c4nnc5ccc(C6CC6)cn45)nc23)CCNCC1 117662870 LUTLMEWAYGPCHC-UHFFFAOYSA-N 417.488 4.292 0 1 HIAF Cn1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCCCCC2)c2cc[nH]c2c1=O 146483606 BBWOVRAURAFNHT-UHFFFAOYSA-N 414.527 4.039 0 1 HIAF N#Cc1cnc(C(=O)Nc2ccc(C3(O)CCSCC3)cc2C2=CCCCC2)[nH]1 146868900 HRUIEUFGGVNPLR-UHFFFAOYSA-N 408.527 4.206 0 1 HIAF NC1(c2ccc(-c3nc4ccc(-c5nn[nH]n5)cn4c3-c3ccccc3)cc2)CCC1 168177738 CQLWBAVLOCFJMD-UHFFFAOYSA-N 407.481 4.186 0 1 HIAF Cc1c(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4ccccn4)n2C3)cccc1C(F)(F)F 215926526 BAFAGPLAUVJQTL-SUMWQHHRSA-N 413.403 4.027 0 1 HIAF O=[S@]1N=C(NCCCCc2ccccc2)C(Nc2cc(Cl)cc(Cl)c2)=N1 253706395 RTYWEAXTNBJPTO-SANMLTNESA-N 409.342 4.407 0 1 HIAF COc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1Cn1ccccc1=O 299819872 BYJTZKQVSLPMJE-UHFFFAOYSA-N 417.383 4.218 0 1 HIAF COc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1F 586948718 LKUFBCSUCAYDMR-UHFFFAOYSA-N 411.458 4.487 0 1 HIAF Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2n1 586969547 MEDAJTXXSPOFHE-GASCZTMLSA-N 420.542 4.115 0 1 HIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(Br)c4[nH]3)cc2N1 587127341 XJCFFZSJLWLGMR-RDDDGLTNSA-N 400.202 4.496 0 1 HIAF Oc1nccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 587153626 VUBRKRUAKDKGQX-UHFFFAOYSA-N 418.457 4.343 0 1 HIAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587204411 XTVMHKXUZXSORY-CQSZACIVSA-N 408.241 4.312 0 1 HIAF O=C(O)CC[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337653 MFRIWGBUJOAGKK-JTHBVZDNSA-N 407.397 4.046 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccccn3c1Br)CC2=O 587457733 BYIXRCKTGOAIBW-HNNXBMFYSA-N 401.260 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(C1CCCCC1)CC2=O 587484657 TWGNUTQTLLZESD-HSZRJFAPSA-N 402.487 4.151 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587592374 YFPQAKFYGGOZHS-XMSQKQJNSA-N 407.422 4.217 0 1 HIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1OCCO 587595187 JTRKVQFABYTHNL-HYBUGGRVSA-N 406.434 4.083 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2ccc(C(F)(F)F)n2)N1 587719655 LLZMWAMTWPHJMB-PSLIRLAXSA-N 406.221 4.253 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CN(C(=O)OC(C)(C)C)C2)N1 587758303 CTTPGZSBOKCILA-NSPYISDASA-N 413.331 4.205 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cccnc3)CC2)N1 587769254 NVZJWCOKBFUCBO-CQSZACIVSA-N 404.327 4.009 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cnccc12 587779632 VARXYTZZULDGCC-VERVWZFWSA-N 423.285 4.354 0 1 HIAF CCOC(=O)[C@]12CCCC1=C[C@]1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587800832 ZTRUUZCJDKAGGH-OITMNORJSA-N 408.311 4.381 0 1 HIAF COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O 587808077 OPBUNYKYTRCLNS-BIBXISHDSA-N 422.294 4.320 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2c[nH]c3ccccc23)(C(=O)O)N1 587808360 YYSNLGIKFIIGCR-BIBXISHDSA-N 417.278 4.126 0 1 HIAF CCOC(=O)[C@H](COC(=O)c1ccccc1OC(C)=O)c1ccc(C(F)(F)F)cc1 653737737 LZSBYMHKEAJNTN-QGZVFWFLSA-N 424.371 4.134 0 1 HIAF COc1ccc(C[C@@H]2CCCN2C(=O)c2cc(C)ccc2-n2cccn2)cc1OC 653779550 UFKMMEFGMJOTTI-IBGZPJMESA-N 405.498 4.045 0 1 HIAF C[C@@]1(c2ccc(N)cc2Cl)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963184693 SWSXQQHAPXWEBT-DYVFJYSZSA-N 419.230 4.457 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)[C@H](N=O)[C@H](C)N=O 963842215 VTHYZNWTHBNTFL-NAFUNDDUSA-N 419.478 4.137 0 1 HIAF COc1cc(N(CC2(C)CC2)c2ccc3c(c2)CCC3)cnc1C(=O)[C@H]1C[C@@H]1C(=O)O 1772571555 UZIRXZUCOKESJN-PMACEKPBSA-N 420.509 4.421 0 1 HIAF CCNC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)NCc2ccc(F)cc2)C[C@H]1C(C)C 2356355968 JFXWKCDSKAUCJA-DYXWJJEUSA-N 403.542 4.006 0 1 HIAF COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2Cc2ccc(OC)c3ccccc23)c1 61928881 ABWLZRNZOFWPQU-RUZDIDTESA-N 420.509 4.469 0 3 HIAF c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2nnn[nH]2)c1 3985453 NQAITYPUGLSMOL-UHFFFAOYSA-N 423.476 4.497 0 1 HIAF CCCCc1nc(C)n2nc(O)nc2c1Cc1ccc(-c2ccccc2C(=O)O)cc1 13737967 JGQLHSSJPXISQJ-UHFFFAOYSA-N 416.481 4.437 0 1 HIAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1O 26957388 BGGSGEZOWWTTGS-WWNUHHRHSA-N 408.542 4.244 0 1 HIAF Brc1cccc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)c1 34839057 BDWSVRWSIMMMPZ-UHFFFAOYSA-N 416.348 4.121 0 1 HIAF COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)c1 103538981 RUSMQZVFVZPBMH-KRWDZBQOSA-N 400.504 4.325 0 1 HIAF CCc1nn(Cc2nccs2)c2cccc(NC(=O)c3cnc4ccccn34)c12 117894647 ATFKHOBVIQGTKH-UHFFFAOYSA-N 402.483 4.004 0 1 HIAF Cc1nc([C@](C)(CC2CC2)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)no1 149214316 VUVMQFRHLXTLHC-IBGZPJMESA-N 424.423 4.037 0 1 HIAF COc1ccc(CCCCNCCOc2cc(F)cc3c2OCC[C@H]3N=O)cc1 169715622 PPHVQMIPIXHSLV-HXUWFJFHSA-N 402.466 4.416 0 1 HIAF COCCN1C(=O)[C@H]2[C@H]3C[C@@H](C(C)(C)C)CC[C@@H]3c3c([nH]c4ccccc34)[C@@H]2C1=O 195466689 WWPQRNIXPZCCMI-BRYJNJBFSA-N 408.542 4.443 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccc(F)cc1 203330480 YBCLSBWEQMKGKC-IBGZPJMESA-N 408.429 4.151 0 1 HIAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)n1 587079287 IHIYBRWQFIOLMC-QMMMGPOBSA-N 406.817 4.344 0 1 HIAF N=c1[nH]c2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc-2c(Cl)[nH]1 587158653 IXMQJTQXNTVOAP-CQSZACIVSA-N 404.232 4.331 0 1 HIAF CN(C)CCOc1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587217104 AZWFRQHQENNJBP-QHCPKHFHSA-N 414.509 4.023 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(O)ccc(N)c21 587473681 ZHLUKOFBYLCAIY-RUZDIDTESA-N 415.445 4.086 0 1 HIAF C[C@H](C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O 587567128 DVEHQPZPRWDVLM-WJDFUICOSA-N 422.408 4.499 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2=O)cc1 587598184 XAFUNGJHUKRVBP-URXFXBBRSA-N 401.418 4.222 0 1 HIAF O=C(O)CSC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611033 ZBZFSHOJNNNXEB-OFNKIYASSA-N 422.458 4.067 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2cc(F)c(F)cc2[nH]1 587656391 ZFYSGFCJSDTARW-UHFFFAOYSA-N 410.330 4.485 0 1 HIAF CC[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc(Cl)cn1 587657764 ZIBKBPJKLLQYSO-SFHVURJKSA-N 410.836 4.344 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)nc(N3CCCC3)c2)N1 587738689 QEWIYWZCNLWCNH-WLRWDXFRSA-N 408.290 4.346 0 1 HIAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O 587807841 NXRYSJGGTUKYCX-DGIBIBHMSA-N 408.267 4.146 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2Cc3ccccc3C(=O)O2)N1 587831661 IORMTBSSZPEAQI-TZFGQJNGSA-N 404.279 4.119 0 1 HIAF CSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(SC)n1 587844766 MIRPUUAZEDNWBE-CLAHSXSESA-N 414.369 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(N)=S)c2)N1 587847019 VWVBXZAAUMIQGR-XTZNXHDOSA-N 408.340 4.041 0 1 HIAF CC(=O)N(c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1)C1CC1 587853468 NHCDYDBHKIDISH-XLFHBGCDSA-N 424.339 4.184 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cn2ccccc2n1 587863541 NBJRKENIDLASOG-UHFFFAOYSA-N 400.360 4.108 0 1 HIAF CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)O)cc(-c2ccncc2)c1 653704632 RTKJFOVNLSZOFC-UHFFFAOYSA-N 404.422 4.300 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@]12CCCOc1c(OC)cc(C)cc12 961314877 AYBHDGOQFDSNET-VWLOTQADSA-N 411.542 4.323 0 1 HIAF C[C@]1(c2cccc3oc(N)nc23)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640879 MJFNPIUVHBQHKK-RXFWQSSRSA-N 410.521 4.420 0 1 HIAF Cc1cc2c(cc1O)[C@](c1ccsc1)(c1ccc(Cl)cc1F)N[C@H](C(=O)O)C2 963551252 MOVRFYRHKWOSML-RXVVDRJESA-N 417.889 4.445 0 1 HIAF CC1=C[C@@]23C(=O)OC(C)(C)[C@H]1C[C@]2(O)CC1=C2C(=O)O[C@H](c4ccoc4)[C@@]2(C)CC[C@@H]13 2356587390 JJXOUNRHCCYHOY-AJYBZCRJSA-N 424.493 4.013 0 1 HIAF Cc1c(C(=O)NC2CCCCC2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12 2459713 MYYWBQSHDOUBQO-UHFFFAOYSA-N 418.559 4.368 0 1 HIAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 4049127 BUHLZPDPKUMJCR-VWNXMTODSA-N 407.558 4.360 0 1 HIAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC(C)C)CC2)cc1 13444570 LVCDOFXANXULSM-UHFFFAOYSA-N 404.551 4.381 0 1 HIAF Cc1ccc(C(=O)N(C)c2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 29037971 NUSRBMGAJKAGCN-UHFFFAOYSA-N 406.935 4.100 0 1 HIAF O=C(NC(=O)c1ccccc1)Nc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl 45289631 QWIRDKXGLCKBJA-UHFFFAOYSA-N 423.856 4.046 0 1 HIAF COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@@H](CO)N3)c1 95795521 IDYHYZBOSZEVMK-ZTCOLXNVSA-N 406.526 4.228 0 1 HIAF N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2cccc(-c3cc(O)ccc3F)n2)C1 96177650 GQSZEYJQIFQWOT-WBVHZDCISA-N 405.473 4.399 0 1 HIAF COc1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cccc(OC)c5)C[C@@H]3N4)cc2)cc1 100101543 PPYWADWAHIFHSR-OOSCYNTBSA-N 400.522 4.311 0 1 HIAF N#Cc1c(N)nc(SCc2cccc(C(=O)O)c2)c(C#N)c1-c1ccc(F)cc1 140299004 GXIGLULYZQIHGN-UHFFFAOYSA-N 404.426 4.204 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cccc(OC[C@@H]4CC4(F)F)c3)C2)cc1 142173115 ROQHMQHYQJJSJF-YJBOKZPZSA-N 416.468 4.185 0 1 HIAF Cc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)nc(=O)n(C(C)C)c2=O)cc1 143003269 YOKVDDNYLFEVNF-UHFFFAOYSA-N 418.419 4.105 0 1 HIAF O=C1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2CN2CCCC2)c2cc(Cl)ccc21 144247127 RRQASIUAJTWWEC-YADHBBJMSA-N 408.929 4.232 0 1 HIAF CC(C)(O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144930421 YODHNGOOSWAVEO-FQEVSTJZSA-N 406.379 4.239 0 1 HIAF C[C@H](N=c1[nH]c2ccc(-c3ccn(CC4CC4)c(=O)c3)cc2s1)C1CCOCC1 473094917 WTFBXXYMHMHBJI-HNNXBMFYSA-N 409.555 4.184 0 1 HIAF Cc1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1-c1ccc(C(=O)O)cc1 586880404 YNXFMWQYYJAQEH-UHFFFAOYSA-N 409.243 4.408 0 1 HIAF CCn1cc(Br)c(Cc2nc3cc(Br)cc(F)c3[nH]2)n1 587001156 TZZPATOBYBQJHF-UHFFFAOYSA-N 402.065 4.034 0 1 HIAF Cc1ccc2c3c(c4c(nc13)-c1cc(C(=O)O)c(O)nc1CC4)-c1ccccc1C2=O 587095880 CJGPNTBVBUSEQZ-UHFFFAOYSA-N 408.413 4.319 0 1 HIAF CCOc1cc(/C=C\c2nc3ccc(C(=O)N(C)C)cc3[nH]2)ccc1OC(F)F 587131229 XNRATHWKIRNIHI-POHAHGRESA-N 401.413 4.435 0 1 HIAF FC(F)(F)c1ncc2nc(/C=C\c3cccc(I)c3)nc-2[nH]1 587183842 JNKITMKXXLGAKZ-PLNGDYQASA-N 416.144 4.098 0 1 HIAF COC(=O)Nc1ccc(-c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)cn1 587244847 LWRNKKZUCUAKJF-UHFFFAOYSA-N 418.409 4.382 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378080 UHSODNFYZCJYKP-OFNKIYASSA-N 421.449 4.460 0 1 HIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOC(C)=O 587525919 WNQQQMPNSCPLCL-JOCHJYFZSA-N 410.466 4.222 0 1 HIAF COC(=O)C(=O)C[C@]1(c2cc3ccccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587532783 NVCUXJJUVPGWQT-VWLOTQADSA-N 418.445 4.305 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ccnc(Cl)n3)c(=O)c3ccccc23)c(O)c1 587666421 YGUSHLKLCGFYBV-UHFFFAOYSA-N 421.888 4.048 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790707 HRWDRJCATXQUGE-RBZFPXEDSA-N 406.295 4.238 0 1 HIAF Cc1ccc([C@]2(c3ncc[nH]3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794147 SYAGUAXPDLGNFC-XCLFUZPHSA-N 400.295 4.446 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C(c2nccs2)(c2nccs2)N1 587854102 PRKOETLAJSZCDY-SECBINFHSA-N 410.337 4.327 0 1 HIAF COc1ccc2c(c1OC)[C@](CC(=O)C(F)(F)F)(c1ccc(C)o1)N(C)[C@@H](C)C2 962626865 NHQXNXPYZOECEH-YUNKPMOVSA-N 411.420 4.247 0 1 HIAF CC[C@@]1(CC(=O)c2ccc(Br)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962899011 PYAWUFQPIGLKSI-JXFKEZNVSA-N 420.278 4.065 0 1 HIAF CS(=O)(=O)c1cc(Cl)ccc1[C@H]1c2ccsc2CCN1Cc1cccnc1 962996301 IMAWQQCJWHSOBE-HXUWFJFHSA-N 418.971 4.348 0 1 HIAF C[C@H](NC(=O)N(C)S(=O)(=O)c1ccccc1)c1ccccc1OCc1ccccc1 1857644502 YLUIPXLTTMQVAC-SFHVURJKSA-N 424.522 4.357 0 1 HIAF CCC[C@@H]1CC[C@@H]2[C@H](CC[C@H](O)[C@@H]2CCCC[C@@H]2CC[C@@H]3[C@H](CC[C@@H](O)[C@H]3C)N2)N1 2356871581 YCENIDWJQBLCPN-QSQUUNDXSA-N 420.682 4.382 0 1 HIAF Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2-c2c(C)cccc2C)cc1 95569941 NRPDLOKSVJQQOB-QHCPKHFHSA-N 409.493 4.333 0 3 HIAF COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 95571450 CUIRZAPPDGQCLU-IEBWSBKVSA-N 409.429 4.279 0 3 HIAF COc1cc([C@@H]2c3c(ccc4ccccc34)C(=O)[C@H]3CCC(=O)N32)cc(OC)c1OC 1654628 IICTUDOZPQPQOD-WZONZLPQSA-N 417.461 4.142 0 1 HIAF CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 4205382 USZOQDIAEYNHIZ-URVUXULASA-N 414.933 4.442 0 1 HIAF CC1CCN(c2nc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3s2)CC1 4912903 LGZYFVTZQDPFNW-UHFFFAOYSA-N 420.582 4.495 0 1 HIAF Cc1nn([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c2ccc(Cl)cc12 28951863 ADSOHFZVSOJTBE-ZUOKHONESA-N 417.847 4.017 0 1 HIAF O=C(Cc1ccc(F)cc1)NC[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 45317045 VAZXBYKWDYNSMG-QGZVFWFLSA-N 416.758 4.158 0 1 HIAF O=C(CSc1ncnn1-c1ccc(Cl)cc1Cl)Nc1cccnc1Cl 72120086 QIZJPRGYKCZMTB-UHFFFAOYSA-N 414.705 4.353 0 1 HIAF COc1ccccc1NC(=O)N1CC[C@@H](c2nc(-c3ccc4ccccc4n3)no2)C1 72179386 KAFHBNVUZMVDIN-MRXNPFEDSA-N 415.453 4.315 0 1 HIAF CCCNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 84729099 VYUMKROVEIYUII-SFHVURJKSA-N 417.868 4.059 0 1 HIAF COc1ccc([C@@H](Cc2ccc(-c3ccc(O)nc3)cc2)c2cn(C)c(N)n2)cc1 96168401 CGSKUTVDJXNMIB-OAQYLSRUSA-N 400.482 4.153 0 1 HIAF Cc1c(-c2ccccc2)n(-c2ccccc2)c(O)c(S(=O)(=O)c2ccccc2)c1=O 100507614 CLYRNXZXVPTBJI-UHFFFAOYSA-N 417.486 4.351 0 1 HIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3C[C@@](C)(C(F)F)Oc4ccccc43)cccc21 145718219 PUGLLHTUPSOYJY-ZHRRBRCNSA-N 413.424 4.208 0 1 HIAF CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 169709474 USDJWVFOFNTZFA-WMLDXEAASA-N 407.436 4.345 0 1 HIAF Cc1cccc(C)c1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1 169710723 HIJSYEVKOQLSTA-IBGZPJMESA-N 424.522 4.341 0 1 HIAF O=C1c2cc(-c3ccc(C(F)(F)F)c(F)c3)ccc2OCCN1Cc1ncccn1 206218497 VOTBLROURANVRM-UHFFFAOYSA-N 417.362 4.336 0 1 HIAF COc1cc(Nc2c([C@@H]3C=Nc4ccccc43)nc3cnccn23)cc(OC)c1OC 473136199 ZCKSZXJJLAKVMU-MRXNPFEDSA-N 415.453 4.347 0 1 HIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586996063 OHTYNPPQUAVPIT-UHFFFAOYSA-N 401.186 4.400 0 1 HIAF Cc1nc2[nH]c(-c3cnn4cccc(Br)c34)nc2cc1Br 587007094 VKOIGDAJDCFLEK-UHFFFAOYSA-N 407.069 4.106 0 1 HIAF O=C(Nc1nc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cs1)c1cccc(O)c1 587019899 RYNRPIUIDOADQL-UHFFFAOYSA-N 420.281 4.270 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(OC)ncc3[nH]2)c1 587048810 ARCIELTVJWBFKJ-BQYQJAHWSA-N 413.865 4.010 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCc3cc4c(cc32)OCO4)[C@H]1c1ccc(F)cc1 587361206 YCZHQZZGLQBCQV-UPVQGACJSA-N 404.393 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]ccc1=NC(=O)OC(C)(C)C)CC2=O 587471900 WSYKVFLKXYZLFD-HSZRJFAPSA-N 412.486 4.389 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(CO)ccc21 587479717 CKQLIKHJRHKXFH-AREMUKBSSA-N 414.457 4.290 0 1 HIAF CC(C)(C)CC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587584620 ZJCQJERIAPSAFM-HXUWFJFHSA-N 409.482 4.151 0 1 HIAF COC(=O)/C=C/c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587591838 HUDITUSKHZKAFO-ZHEBCNRGSA-N 402.402 4.281 0 1 HIAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)OC 587597968 STGMXLDPDJOLGY-NFBKMPQASA-N 420.417 4.280 0 1 HIAF CCOC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2c(C(=O)O)cccc12 587639134 NXFQECBCBALMES-UHFFFAOYSA-N 416.474 4.157 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3cc(C)nc(C)n3)c(=O)c3ccccc23)c(O)c1 587665992 WJNVQXLRZDDHSX-UHFFFAOYSA-N 415.497 4.011 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)OCc2ccccc2)N1 587754871 LJYZTIRTRCMYEY-MLGOLLRUSA-N 407.283 4.090 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CCN(C(=O)OC(C)(C)C)C2)N1 587773992 LFTVXNMQJYDDTH-HXPMCKFVSA-N 411.315 4.125 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 587872522 ZLPRCXQBPVDAMS-SFHVURJKSA-N 405.470 4.277 0 1 HIAF CCCc1ccc([C@@]2(c3ccnc(C)c3)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962922728 GUVGTHQVZKRZAK-MHZLTWQESA-N 413.565 4.482 0 1 HIAF CN1CCc2cn(C)nc2[C@]1(c1cccc(F)c1)c1ccccc1Br 963956544 YBUOANJSCIQXHC-FQEVSTJZSA-N 400.295 4.102 0 1 HIAF Cc1cc(-c2nnc(-c3ccc4c(c3)C[C@@](CO)(N(C)C)CC4)o2)ccc1OC(C)C 1772607048 DALGRTPZINJDQK-VWLOTQADSA-N 421.541 4.281 0 1 HIAF Cn1c(=NC[C@@H]2CCCO2)[nH]c2cnc(-c3cccc(Oc4ccccc4)c3)cc21 1857598151 LSGWRBLQHUAGJF-FQEVSTJZSA-N 400.482 4.440 0 1 HIAF Cc1cc(C)cc(Cn2c3ccc(NC(=O)NCc4ccccc4)cc3c(=O)n2C)c1 61897799 ZAHJZPPQNUIKQU-UHFFFAOYSA-N 414.509 4.327 0 3 HIAF CC(=O)c1cccc(NC(=O)[C@H]2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)c1 61905534 YPUVTNZFCLOPJM-JOCHJYFZSA-N 400.434 4.096 0 3 HIAF O=C(NC(=O)c1ccc(Cl)cc1Cl)Nc1cc(O)c(C(=O)O)cc1Cl 3818701 WLYWWNICECOLPW-UHFFFAOYSA-N 403.605 4.013 0 1 HIAF Cc1c(NC(=O)N[C@@H]2CCCC[C@@H]2C)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 6750174 LNALFQYNVIFRKC-KCQAQPDRSA-N 402.564 4.439 0 1 HIAF CCCn1nc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c2ccccc2c1=O 16175897 USZLJFOYGULXTD-UHFFFAOYSA-N 418.541 4.069 0 1 HIAF Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(C(=O)O)cc1 26291353 YHSFJKJFHFWUCK-UHFFFAOYSA-N 424.522 4.272 0 1 HIAF COc1ccc(C2=NN(CCCCCCN(C)C)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26507438 ODTMPGUGTQXMBN-WOJBJXKFSA-N 415.578 4.179 0 1 HIAF Cc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)c2c1[C@@H](C)CC(=O)N2 28527334 JFLGKAWVPPPTKB-KRWDZBQOSA-N 420.582 4.415 0 1 HIAF COC[C@@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28527817 DYPRVEIOXAVFCJ-NRFANRHFSA-N 409.505 4.070 0 1 HIAF CN(C)C(=O)c1cc(OCC[C@@H]2CCCN2C)ccc1OCc1ccccc1Cl 28703646 OIUKHOKFISNBRK-SFHVURJKSA-N 416.949 4.484 0 1 HIAF O=C(N[C@@H](CC1CCNCC1)C(=O)O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1 29220449 FLLOOSIDKXRPAQ-IBGZPJMESA-N 421.324 4.233 0 1 HIAF O=C(O)COc1ccc(-c2csc(NCC(=O)c3ccc(Cl)cc3)n2)cc1 53296441 GEKWCZOONNMCRT-UHFFFAOYSA-N 402.859 4.222 0 1 HIAF COc1ccc([C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1OC 71341185 WPAYLHNASRTRAX-HSZRJFAPSA-N 409.869 4.140 0 1 HIAF Cc1noc(C)c1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 72181754 USEMHKXTQIXFLM-UHFFFAOYSA-N 418.457 4.301 0 1 HIAF [C-]#[N+]c1ccnc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)c1 96172460 DTOJYLBPWJOQLD-YLJYHZDGSA-N 412.497 4.113 0 1 HIAF O=C1N[C@H](CCc2ccccc2)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccccc1 98084746 OVTFTTYZDSKPMS-DSNGMDLFSA-N 400.522 4.185 0 1 HIAF CN1[C@H]2CC[C@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 100633042 OBYIQVADFNDRMU-BTYIYWSLSA-N 405.523 4.184 0 1 HIAF COc1ccccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](NC(=O)SC)CC1 100765205 ZYFFPUYDMLLXMK-RXAXNXDRSA-N 412.555 4.378 0 1 HIAF 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](C(=O)O)[C@@H]3C(=O)O 101688352 PXYRCOIAFZBLBN-VZHMBLPKSA-N 418.530 4.298 0 1 HIAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3cccc(C(=O)O)c3)nn3ccnc23)n1 207342206 SXQQJBCNPIMTDT-OAHLLOKOSA-N 414.469 4.222 0 1 HIAF C[C@H]([C@@H]1C[C@@H]1C(=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@]12C 299848599 SPBCVLSZAPVLJN-SGDUVAPZSA-N 404.591 4.334 0 1 HIAF CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1)c1ccccc1 299878261 ISGDZMLOQTTWDE-FYYLOGMGSA-N 419.550 4.483 0 1 HIAF C=CC(=O)Nc1cccc(CSc2nc(Nc3cnn(C)c3)ncc2Cl)c1 473092275 SDASFVKZDUZLFM-UHFFFAOYSA-N 400.895 4.024 0 1 HIAF Cc1cc(C)c2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 587170031 MMAKVUYUEYZZPD-OAQYLSRUSA-N 409.486 4.387 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346389 MGGFXBCMDPMUDR-YKSBVNFPSA-N 421.424 4.457 0 1 HIAF COc1ccc([C@@]2(c3ccccc3OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441628 HYBSJKNKMQERFI-NLFFAJNJSA-N 402.446 4.404 0 1 HIAF CCOc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587442103 OKKJWVUEMMBNFO-NLFFAJNJSA-N 402.446 4.491 0 1 HIAF CC(C)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587598671 XVTOBNPJOHQRFS-PXDATVDWSA-N 415.445 4.252 0 1 HIAF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804519 RMOFANZFBXYPBS-FVINQWEUSA-N 417.278 4.240 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2C(=O)CC(C)(C)CC2=O)N1 587822963 NUKNILZAOQFCIP-GIPWTMENSA-N 410.327 4.302 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2C)NC2(CC2)Cc2ccc(Br)cc21 961319566 JCGYWMLNKLHXPV-OAQYLSRUSA-N 400.316 4.243 0 1 HIAF O=C(O)C1C[C@@H]2CC[C@H](C1)C21c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962648374 XMVQYYODVDFIEH-VRFNDQNJSA-N 402.538 4.150 0 1 HIAF CC(C)(C)n1cc(O)c([C@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)n1 962949014 CFZNZUFAWBPNGS-HXUWFJFHSA-N 423.479 4.277 0 1 HIAF COc1ccc(-c2ncn(CC(=O)N3CCCCC3)c2-c2ccc(OC)cc2)cc1 1772611449 YFEMRANIMKQPFX-UHFFFAOYSA-N 405.498 4.247 0 1 HIAF COc1cc(N(Cc2cccc(Cl)c2)CC2CC2)cnc1C(=O)[C@@H]1C[C@H]1C(=O)O 1772657090 ZTROSXLWASFTAV-QZTJIDSGSA-N 414.889 4.064 0 1 HIAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356308450 UNEXLHASNFZPAF-QRVBRYPASA-N 411.546 4.249 0 1 HIAF O=C(CSC1=NCCS1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 4263082 KJQRYDKPNSUCSC-HNNXBMFYSA-N 405.545 4.401 0 3 HIAF Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)[C@H](C)Oc1ccccc1)CC(=O)N2 2724130 MCQPCKMHMDYOQK-XDHUDOTRSA-N 418.468 4.472 0 1 HIAF CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc2c1OC(C)(C)[C@H](O)C2 14883683 MYPYOQCSDUEJNS-OAQYLSRUSA-N 422.477 4.454 0 1 HIAF biogenic CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1C[C@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 25990304 GDBHWWGVCRIESX-APLAKKRKSA-N 406.563 4.255 0 1 HIAF CC(C)c1cc(CNc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)on1 35984103 BPWPJXWBDMNYQM-UHFFFAOYSA-N 418.299 4.307 0 1 HIAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(C(F)(F)P(=O)(O)O)cc1 49089922 SXKDWUJEAIHWOU-UHFFFAOYSA-N 413.210 4.324 0 1 HIAF COCC(=O)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O 66111574 HGSSSZUMXFAWGB-UHFFFAOYSA-N 406.265 4.234 0 1 HIAF COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Br)cc3)C[C@@H]2C)cc1 72103628 QKJICQXHWUJCOQ-UGSOOPFHSA-N 417.303 4.085 0 1 HIAF COc1ccccc1NC(=O)N1CC[C@H](c2nc(-c3ccc4ccccc4n3)no2)C1 72179385 KAFHBNVUZMVDIN-INIZCTEOSA-N 415.453 4.315 0 1 HIAF COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1 84653517 QXYUMAYBJRETAI-UHFFFAOYSA-N 415.493 4.449 0 1 HIAF OC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 95873442 DKXOAUTXQRCGFG-OYUWMTPXSA-N 413.565 4.173 0 1 HIAF CCOC(=O)[C@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 101090076 BBQBTBVMEIXHOV-CLAROIROSA-N 415.480 4.485 0 1 HIAF COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NC4CC4)nc23)c1 139822906 SQLDRRNNJHIBLL-UHFFFAOYSA-N 401.426 4.203 0 1 HIAF O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1 147801613 RJCLUDCGUNLXRQ-NRFANRHFSA-N 411.509 4.019 0 1 HIAF COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169696321 ULMJTQRLTUJPJN-VQTJNVASSA-N 411.523 4.053 0 1 HIAF Cc1cccc(-c2nc(C[S@](=O)CC(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)c(C)o2)c1 195421935 CAYQJFAJADNEHO-IJQPPBINSA-N 402.560 4.148 0 1 HIAF Cn1ncc2cc(-c3cccc(OC[C@H](O)CN4CCc5ccccc5C4)c3)ccc21 219736000 HIZGCKWNKSVHDJ-XMMPIXPASA-N 413.521 4.038 0 1 HIAF Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)c1 261160601 QUQHHANCUPQZDA-NRFANRHFSA-N 408.523 4.248 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2cccc(F)c2)cc1 299862440 JQLKYNCPHUMKRM-GMAHTHKFSA-N 421.497 4.001 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 299884334 SWGYVGTXKHCPCJ-YYKCRFIFSA-N 418.896 4.094 0 1 HIAF CC1=C(C(N)=O)[C@@H](c2cccc(C(C)C)c2)N2NC(SCc3ccccc3)=NC2=N1 473137817 ZSJMEPCYGWNFCS-HXUWFJFHSA-N 419.554 4.090 0 1 HIAF Fc1cc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2cc1Cl 586969175 HHLLKWDATATDMV-UHFFFAOYSA-N 404.810 4.426 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Br)nc2[nH]1 587041366 BKURORTVWZJSPZ-NSHDSACASA-N 409.696 4.029 0 1 HIAF Cc1nn(-c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)c(C)c1Cl 587064369 AIDGCVCFKNADIC-UHFFFAOYSA-N 403.671 4.190 0 1 HIAF Cc1c(Br)cnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 587080987 WFJBSSWLPHTEFT-ZDUSSCGKSA-N 404.699 4.406 0 1 HIAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587140150 CQLLWKVZAWAKLI-UHFFFAOYSA-N 424.482 4.293 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(OCC)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587376582 SMWIAQPQUBZSAL-JOCHJYFZSA-N 417.889 4.443 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4cc(Br)cn4)cc1)[C@@H](C2)C3=O 587416540 CMQJVUYCXMMDNZ-OXJNMPFZSA-N 411.255 4.132 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587575880 GROKYRGZBMUWIV-OFNKIYASSA-N 413.433 4.293 0 1 HIAF CCOC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593034 BSYFYUXPEOKXMJ-GBXCKJPGSA-N 404.418 4.446 0 1 HIAF Cn1c(=O)sc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587616102 BEZVZZHGPCEPQU-NQIIRXRSSA-N 405.431 4.009 0 1 HIAF O=C(COCc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655641 CDUHVNUPDPNTEG-UHFFFAOYSA-N 406.388 4.199 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587826254 DWFFYOZCXPOOBD-ZRNGKTOUSA-N 408.267 4.302 0 1 HIAF C[C@@H](C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O 587830647 VSFCNPUTQFVGPT-RDXCRGQUSA-N 406.295 4.477 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C(=O)OC(C)(C)C)cn1 587867868 DCJLBVJOUQWFOW-UHFFFAOYSA-N 420.391 4.312 0 1 HIAF CCOC(=O)c1cc(OCC)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1OCC 587944838 JDBBXJHGYIHRCJ-INIZCTEOSA-N 412.389 4.084 0 1 HIAF CC[C@]1(c2ccc(OC)c(C)c2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962720272 TUUPLUSSCJZUDA-YLJYHZDGSA-N 411.395 4.414 0 1 HIAF CCC(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)NCCc3nc4ccccn4c32)c1 962987345 VWYXDPBQGRIVKF-QGZVFWFLSA-N 411.720 4.015 0 1 HIAF C[C@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)F)cn4)ccc3n2)C[C@@H](C)N1 1772617702 IDNDWBZRKZOKQO-OKILXGFUSA-N 412.440 4.182 0 1 HIAF CCCCn1ncc2c1CC[C@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857638546 WPJUJEHPNPQSHY-IBGZPJMESA-N 418.520 4.232 0 1 HIAF CC(=O)CC1=C(C)C=C2C[C@H](C)C(=O)[C@H](C)[C@@H]2[C@@H]1C=C(C)[C@](C)(C=CC(=O)O)CO 2356593958 CHUCWMVYHNBUQI-IACNCVRUSA-N 414.542 4.285 0 1 HIAF CCc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCCCC2)S3)cc1 3006214 UKYCXDCVXFMKOI-QHCPKHFHSA-N 409.555 4.035 0 1 HIAF Cc1nnnn1-c1ccc(/C(=C\C2CCCC2)C(=O)Nc2nccs2)cc1Cl 3992434 VLMUMBDJCAPBLI-XNTDXEJSSA-N 414.922 4.293 0 1 HIAF C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2cc3sccc3n2C)C1)c1ccccc1 5085131 QKQGHEHOAXQCJF-WMZOPIPTSA-N 409.555 4.012 0 1 HIAF O=C(O)Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCC2CCCC2)C1=O 12358374 LHSRBWPZMWYSRN-QHCPKHFHSA-N 423.509 4.457 0 1 HIAF CN1C(=O)[C@H](NC(=O)CCC2CCCCC2)N=C(c2ccccc2)c2ccccc21 13606613 FLGHLGGIQDOQPD-XMMPIXPASA-N 403.526 4.303 0 1 HIAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)NCc1cccs1 25430224 VOUABYGCUDMSHK-IAGOWNOFSA-N 415.559 4.343 0 1 HIAF biogenic COCCc1ccc(OC[C@@H](O)CNC(C)(C)CSc2ccccc2C)cc1 28127281 ZSJYLHFTWWCDJB-FQEVSTJZSA-N 403.588 4.084 0 1 HIAF CCCNC(=O)N(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 49014161 AXXFOVLMZSBWPH-FOHPXRQLSA-N 403.611 4.270 0 1 HIAF Cc1cc(N2CCCc3cc(C(N)=O)ccc32)ccc1CNC1Cc2ccccc2C1 66251462 ZEZRSLZPDWJTOF-UHFFFAOYSA-N 411.549 4.435 0 1 HIAF N=C1C(=S)N(c2ccc(I)cc2)C(=O)N1Cc1ccccc1 69061634 AQDHHOHIRDHYJZ-UHFFFAOYSA-N 421.263 4.038 0 1 HIAF C[C@@H]1C(=O)[C@H](C)[C@H](c2cccc(F)c2)N(C(=O)Cn2ccnc2)[C@@H]1c1cccc(F)c1 71296258 RPBVLVICPNKVAG-YJEDKTMASA-N 423.463 4.327 0 1 HIAF CC(C)N1C(=O)N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73223925 VRNHCGWRSOWEIE-MHECFPHRSA-N 401.466 4.000 0 1 HIAF Cc1nc2nc(NCc3ccc(OC(C)C)cc3)nn2c(O)c1Cc1ccccc1 100695425 MWONOIBFKSIEHO-UHFFFAOYSA-N 403.486 4.128 0 1 HIAF COc1ccc(OC(F)(F)F)cc1CN[C@H]1CC[C@@H]2CC[C@]1(c1ccccc1)N2 101034870 GXIFPPFQXPIEKY-JRGCBEDISA-N 406.448 4.493 0 1 HIAF Cc1ccc(NC(=O)NCc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C 101500530 LPNXPWAKNHEHBK-SFTDATJTSA-N 403.482 4.081 0 1 HIAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3CCOc4cc(C(F)(F)F)ccc43)cccc21 143483067 PTXQKXGUFFASKM-OAHLLOKOSA-N 420.391 4.010 0 1 HIAF CCN(CC)C(=O)Cc1c(-c2ccc(OC3CCC3)cc2)nn2c(C)cc(C)nc12 168726657 PMPNIILSTAUJJS-UHFFFAOYSA-N 406.530 4.355 0 1 HIAF Cc1cc(C)c(-c2nc(C#N)[nH]c2C)cc1C(=O)N1CC(F)(c2ccc(C#N)cc2)C1 219016549 RHZXBUHHMXTUQL-UHFFFAOYSA-N 413.456 4.066 0 1 HIAF COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1F 586936135 HKVGGKMUFKKAJR-KRWDZBQOSA-N 411.886 4.040 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(CCO)cc3[nH]1)N2 587032878 VDGHNTITTNXABY-GFQQVXNGSA-N 414.556 4.225 0 1 HIAF Fc1cc(Br)cnc1-c1nc2cccc(I)c2[nH]1 587155316 JUVUIWZZZCGXKS-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF C[C@@H](Oc1ccc(F)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 587168997 PQAVNMQIARRFGL-SSDOTTSWSA-N 417.609 4.495 0 1 HIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587203991 SWHNFLMSDURQFY-UHFFFAOYSA-N 408.458 4.241 0 1 HIAF Cc1ccc2c(ccc3nc([C@@H](N)CCCNC(=O)OCc4ccccc4)[nH]c32)n1 587260511 ZXJRTCUDGULPMN-SFHVURJKSA-N 403.486 4.126 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccc(C(F)(F)F)n4)cc1)[C@@H](C2)C3=O 587419656 DJYUWXLZYDOQIZ-MGPUTAFESA-N 400.356 4.388 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(CC(C)(OC)OC)c1F)[C@@H](C2)C3=O 587425600 FSCXDKPHUCJTDA-SBUREZEXSA-N 400.446 4.049 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CN1CCOCC1)(c1ccc(CC)cc1)CC2=O 587474458 HHVLYFLCOAZQSU-VWLOTQADSA-N 409.526 4.100 0 1 HIAF Nc1c(Br)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539809 KAQVAAXAKGNVLG-OXQOHEQNSA-N 412.239 4.440 0 1 HIAF Cc1nn(-c2ccccc2)c(N)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584040 YPYPQKOCJDTJPO-OFNKIYASSA-N 413.433 4.171 0 1 HIAF C[C@]1(c2ccc(OCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598370 UECPPHUYZMACOR-ZJSXRUAMSA-N 420.417 4.123 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2ccc(C(F)(F)F)n2)N1 587719651 LLZMWAMTWPHJMB-BJOHPYRUSA-N 406.221 4.253 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCc2ccccc2)N1 587758535 XWYBZGHMUHQUSA-ZUOKHONESA-N 405.311 4.044 0 1 HIAF Cc1cnn(Cc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c1 587759688 MAAJHDJHWXNTRW-BLVKFPJESA-N 404.283 4.358 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CN(C(=O)OC(C)(C)C)C2)N1 587761886 QRYYQHULGXRMDM-WYRIXSBYSA-N 413.331 4.205 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(Cc3cccnc3)CC2)N1 587771036 UWZDADNDAOGKKD-SZNDQCEHSA-N 418.354 4.471 0 1 HIAF COC(=O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1OC 587782198 ILAKJBGPPVBVAX-UHFFFAOYSA-N 404.422 4.310 0 1 HIAF CCOC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587793492 NCXUUQGJRRACAF-FKIZINRSSA-N 422.294 4.154 0 1 HIAF COC(=O)c1cccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587800129 AFJMDINFUSISSL-OVWNDWIMSA-N 417.278 4.480 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](C)C(=O)O)(c2ccccc2)N1 587827665 LUCQHFATOULJOW-IZDJOXEWSA-N 406.295 4.477 0 1 HIAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4s3)c2)c1 653861868 WFAJGPAMLQVQFK-UHFFFAOYSA-N 403.463 4.227 0 1 HIAF COc1ccc([C@]2(Cc3ccncc3)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962578066 ZWVYIVKFZUXWTJ-HFJWLAOPSA-N 418.537 4.470 0 1 HIAF COc1ccc(OC)c([C@]2(c3cncc4ccccc34)NCCc3c(C)ccnc32)c1 963083421 BXXKCMDAKJYUAT-AREMUKBSSA-N 411.505 4.393 0 1 HIAF COC(=O)c1cc([C@]2(c3ccc(OC)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c[nH]1 963109165 UMZOSFZOLHABQN-NBGIEHNGSA-N 420.484 4.261 0 1 HIAF C[C@]1(c2ccc(N)cc2Cl)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963184696 SWSXQQHAPXWEBT-SUMWQHHRSA-N 419.230 4.457 0 1 HIAF CN1CCc2c(Br)cccc2[C@@]1(CO)c1c[nH]c2cccc(Cl)c12 963290121 UBLZDSAEKZUZLT-IBGZPJMESA-N 405.723 4.308 0 1 HIAF CO[C@@H]1CCC[C@]2(C1)c1c(C)cccc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963904082 OIQWRIDTGSQCHN-PNCHPQGNSA-N 403.519 4.416 0 1 HIAF O=C(CC(=O)Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)Nc1ccc(F)cc1 1857546293 NVXDWGRVWATAKJ-PKNBQFBNSA-N 415.428 4.235 0 1 HIAF CCCOC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 1857583481 LYWIXUKMLOMUPQ-SFHVURJKSA-N 414.458 4.116 0 1 HIAF c1ccc(-c2c[nH]c(=NCCCCCCN=c3[nH]cc(-c4ccccc4)[nH]3)[nH]2)cc1 1857642536 CMZXNGHKFUXWOQ-UHFFFAOYSA-N 400.530 4.395 0 1 HIAF C[C@]1(C(=O)NCc2ccccc2Br)CCN1Cc1c(F)cccc1F 61905591 HWKIHYNDONDDDA-LJQANCHMSA-N 409.274 4.008 0 3 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NC[C@@H](O)CC 4151943 RNXNCZKHKKZYJL-KWOQKUFVSA-N 424.541 4.188 0 1 HIAF COc1cc(Nc2nccc(Nc3ccc4c(C)[nH]nc4c3)n2)cc(OC)c1OC 4617990 SQQAPOSROFWHIB-UHFFFAOYSA-N 406.446 4.174 0 1 HIAF in-vivo O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[C@H]1F 28229883 MWXDJFWHAWJPFZ-ILRWPJQHSA-N 424.321 4.200 0 1 HIAF c1cc2cc(CCCc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1 28870116 PFVLNEADZIPSLL-UHFFFAOYSA-N 412.493 4.054 0 1 HIAF COc1ccc(-n2c(=O)c3ccccc3n3c(-c4ccccc4Cl)nnc23)cc1 40394835 OXXXWHQIBPBDFG-UHFFFAOYSA-N 402.841 4.362 0 1 HIAF COc1cccc(CNC(=O)c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)c1 40402447 WSAOLOSMIWRBAW-UHFFFAOYSA-N 414.505 4.493 0 1 HIAF CC1(C)C[C@@H](C(=O)NCCCNCc2ccccc2OCc2ccccc2)C(C)(C)N1 40640557 RZOXANXIDDFXSS-QFIPXVFZSA-N 423.601 4.028 0 1 HIAF O=C1CS[C@H](c2c(Br)cccc2Br)N1c1ccccn1 40835145 NYUBQHFTOCHKFG-CQSZACIVSA-N 414.122 4.385 0 1 HIAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc(CCCN3CCCCC3)cc1)C2 40848282 VYOLQJFUGVWASV-DEOSSOPVSA-N 409.526 4.309 0 1 HIAF Cc1ccc(CNCC2(F)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)c(Cl)c2)nc1 64548801 ZDFVLXOCUFWUML-VSOVRNOCSA-N 419.903 4.448 0 1 HIAF CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2ccc(OC)cc2s1 84652336 AUQHGUZEOVIQDW-UHFFFAOYSA-N 416.300 4.329 0 1 HIAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc5c(c4)OCO5)n3)ccc21 95755371 VUYXUYMWZPZMBU-UHFFFAOYSA-N 421.478 4.090 0 1 HIAF COc1ccc2nc3c(O)n(CCN4CCC(Cc5ccccc5)CC4)cnc-3c2c1 103903838 OSHCWXVXXHUTND-UHFFFAOYSA-N 416.525 4.205 0 1 HIAF Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3cncs3)c2)cc1 113755806 UGADFGZCGUEUNV-GOSISDBHSA-N 421.566 4.236 0 1 HIAF O=C1C[C@@H](C(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)c2cc(Cl)ccc21 144246909 RRQASIUAJTWWEC-FGZHOGPDSA-N 408.929 4.232 0 1 HIAF CC(=O)c1ccccc1-c1ncc(C)c(NCC2CCN(c3cccnc3)CC2)n1 169304256 RGZFQRNZQYFQEN-UHFFFAOYSA-N 401.514 4.378 0 1 HIAF COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@@H]1CC4)[C@@]31CC[C@](OC)(C(C)C)OC1 238759081 NYUJYFZXEOGHOB-IWIGTOSWSA-N 417.590 4.023 0 1 HIAF COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC)[C@@H](C)[C@@H](C)C2 238761875 WYKCWLMVRLFACA-SYTFOFBDSA-N 416.470 4.330 0 1 HIAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCCCCn1c(S)nc2ccsc2c1=O 377867598 WZFRTLSNQDADBJ-QLFBSQMISA-N 407.605 4.248 0 1 HIAF Cc1cc(C)c2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2c1 586946950 WLNUPDVOYMFDEJ-UHFFFAOYSA-N 403.554 4.448 0 1 HIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1 587018989 DOHIROZCYQAKPW-UHFFFAOYSA-N 410.402 4.279 0 1 HIAF COc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(Cl)c1OCC(C)C 587046172 LWCXFMXMFKPEDN-UHFFFAOYSA-N 401.850 4.258 0 1 HIAF NC(=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587067881 AUDQKYKESXQNQP-UHFFFAOYSA-N 403.829 4.428 0 1 HIAF CN(C)c1ncccc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 587195206 DQKJEAQNLSPLPP-UHFFFAOYSA-N 401.186 4.352 0 1 HIAF O=C(O)c1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352069 LPRCJBJYBOWHQR-XUZZJYLKSA-N 404.393 4.430 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)O2 587382239 KWSUYQUOFCNGMR-JLZZUVOBSA-N 410.461 4.049 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ncccc1C(=O)O)(c1ccccc1)O2 587409232 KWQGUAKOIXEVTK-QHCPKHFHSA-N 420.490 4.323 0 1 HIAF CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442590 QZZOIHHCUGHVOD-OIBPMIBVSA-N 406.478 4.328 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587704298 JCWQDWNQHWKYCO-BFCNOCSMSA-N 420.269 4.316 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)CN1CCCCCC1 587869089 AWVVREFCNGCWDN-AWEZNQCLSA-N 410.440 4.125 0 1 HIAF Cc1c(F)ccc2c1[C@@](C)(c1ccc(-n3ccnc3)c(Br)c1)NCC2 962089321 GMSGUXBATVNATP-HXUWFJFHSA-N 400.295 4.492 0 1 HIAF CCCCC[C@]1(c2ccccn2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962623383 BKZPWHTVIOJYST-MGPUTAFESA-N 408.420 4.403 0 1 HIAF CCOC(=O)/C=C/c1ccc(OC)c(O)c1/C=C/c1cc(OC)c(OC)c(OC)c1 1772574958 HFIYAXALBIWNJN-NWABJRNTSA-N 414.454 4.173 0 1 HIAF COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(C)=O)cc2)n1 1857638130 LOJPNVSBNGEEHN-UHFFFAOYSA-N 421.284 4.225 0 1 HIAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1cccc2ncccc12 1911586588 PELLWDSMUABARC-IBGZPJMESA-N 414.292 4.353 0 1 HIAF CC=CC=CC=CC(=O)O[C@@H]1C=C2CO[C@H](OC)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356759093 IQZCRLBNSYMYLI-XOTSVCCBSA-N 402.531 4.093 0 1 HIAF Cc1ccc2c(=O)n3c(nc2c1)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1-3 36389174 QSCWZWUAPHBKAP-HXUWFJFHSA-N 415.880 4.375 0 3 HIAF CCOc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)[nH]n2)c(C)c1 61925997 SRUOUWLKHGQUQW-UHFFFAOYSA-N 411.458 4.062 0 3 HIAF COc1ccc(-c2noc([C@@H]3CCCN(C(=O)N[C@@H]4C[C@H]4c4ccccc4)C3)n2)cc1 201454317 HPFBSPLFISAMTB-HLAWJBBLSA-N 418.497 4.190 0 3 HIAF CSc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc3c2=O)cc1 13487293 QAOSMFAPWVWEKR-UHFFFAOYSA-N 423.515 4.496 0 1 HIAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc2ccccc2c1 13601800 NBKXBXVNACLLCU-DEOSSOPVSA-N 405.457 4.385 0 1 HIAF CCN(CC)CCN(CC)Cc1cccc(C(=O)Oc2ccc(NC(C)=O)cc2)c1 26572759 OADCHSQBQRBZCN-UHFFFAOYSA-N 411.546 4.028 0 1 HIAF O=C1NC(=O)[C@H](Cc2ccc(OCCc3coc(C4CCCCC4)n3)cc2)S1 26575920 OUVNBSIBOMNYLF-SFHVURJKSA-N 400.500 4.238 0 1 HIAF Cc1cn(C[C@@](O)(CC(C)(C)c2cccc3c2OCC3)C(F)(F)F)cc(C)c1=O 34802056 IHRJBJXTYVYEES-NRFANRHFSA-N 409.448 4.061 0 1 HIAF O=C(O)C[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 49111963 HMEJFKBSLZUVMF-QWRGUYRKSA-N 409.294 4.449 0 1 HIAF COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3F)cc2)cc1 100092051 GRHSCRKGJUIMLU-UBRQYEGLSA-N 417.484 4.473 0 1 HIAF O=C(c1ccccc1-c1ccco1)N1CC[C@@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 116824995 CJWALWGZPZBUMF-VGOFRKELSA-N 410.477 4.241 0 1 HIAF O=C(NC[C@H](c1cnc(C2CC2)nc1)N1CCC(F)(F)CC1)c1ccccc1Cl 207685350 QCOFIVDIXXNNQM-GOSISDBHSA-N 420.891 4.210 0 1 HIAF CCCCOC/C=C/c1cc(OC)c2c(c1)[C@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 238734879 YQSAYBNHZLLVQX-KMCHRFPVSA-N 414.498 4.449 0 1 HIAF C[C@H](O)c1ncc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)s1 587022198 OWXHLHSTDGUASJ-YFKPBYRVSA-N 408.199 4.401 0 1 HIAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587084065 UMAXTQWANOIJCX-UHFFFAOYSA-N 412.902 4.196 0 1 HIAF O=C(O)c1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1F 587116125 OXKQSYPTJXCCBI-UHFFFAOYSA-N 404.117 4.244 0 1 HIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587151131 QJHNZLPDKCACEG-QMMMGPOBSA-N 406.332 4.275 0 1 HIAF Fc1cccc(Cn2nnc(-c3nc4ccc(Br)cc4[nH]3)c2Cl)c1 587162544 WVPIMKXTYKADRI-UHFFFAOYSA-N 406.646 4.425 0 1 HIAF Cc1c([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1C 587326473 CAMBBQJGLYYVCH-WIYYLYMNSA-N 402.372 4.093 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)(c1cc(Br)ccc1N)O2 587378187 SEZSQLOTOMNYFV-OAQYLSRUSA-N 424.298 4.226 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(C)n1)([C@H](O)c1cccc(C)n1)CC2=O 587485823 KWTXGXOABUFNPM-RPBOFIJWSA-N 418.493 4.346 0 1 HIAF CC(=O)Nc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509573 DIGKKEVAIPKHAX-DEOSSOPVSA-N 407.466 4.249 0 1 HIAF COc1ncc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC 587551834 KJMFRLFURWUOBG-LPHOPBHVSA-N 413.813 4.161 0 1 HIAF O=C1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc2O1 587552098 NMLARWPGWXQCOR-KNQAVFIVSA-N 408.793 4.212 0 1 HIAF Nc1ccccc1[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578201 MXBOVXBBDHCXNH-WIOPSUGQSA-N 410.429 4.275 0 1 HIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc(N2CCCCC2)n1 587595690 PYWIJKOHHQTDQX-REWPJTCUSA-N 417.465 4.184 0 1 HIAF CCOC(=O)[C@H](C)n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757406 VKSYXMHKVAJAOW-SOZUMNATSA-N 409.299 4.137 0 1 HIAF CC(=O)OC[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587789693 DGGDWXCAJBVZCO-ZUOKHONESA-N 406.295 4.238 0 1 HIAF CC(C)c1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587789777 BNFZPWPLAZEEIQ-PRWKNARSSA-N 403.295 4.442 0 1 HIAF CC[C@@]1(c2ccc(OCC(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587792461 LHCBQTOHGTXLJJ-ODXCJYRJSA-N 422.294 4.239 0 1 HIAF CCOC(=O)[C@]12CCCC1=C[C@@]1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587792886 DFPUMHLCPZPBOB-CFGAKRJMSA-N 408.311 4.381 0 1 HIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(I)cc3[nH]2)cc1 587936348 KQYBQTKEABZLMF-QLJPJBMISA-N 408.239 4.013 0 1 HIAF COc1cc(OC)c([C@@H]2COc3c(cc(C=O)c4c3C=CC(C)(C)O4)C2)cc1C=O 653850110 TYLBWTRWIPWUGT-KRWDZBQOSA-N 408.450 4.232 0 1 HIAF COc1ccc2c(c1OC)[C@]1(CCCc3c1cnn3-c1ccc(F)cc1)N(C)[C@@H](C)C2 962572142 PQCRITQPNJPKEG-IVCQMTBJSA-N 421.516 4.485 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccnc2S(=O)(=O)c2ccccc2)N1 962958008 ZTTDTARVLLRMIV-KSFYIVLOSA-N 417.534 4.409 0 1 HIAF CC(C)N1C=C(C(=O)O)[C@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2cc(F)ccc21 963093583 AKOSGELISKLCPR-KOSHJBKYSA-N 410.464 4.426 0 1 HIAF CCOC(=O)C(F)(F)c1ccc([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)n1C 963096156 CSGKKLDMWNMYQO-VFNWGFHPSA-N 406.448 4.103 0 1 HIAF COc1ccc(CN2CC[C@]3(CC2=O)NCCc2c(Cl)cc(Cl)cc23)cc1 963117256 CZCMJKQKJRVZOL-OAQYLSRUSA-N 405.325 4.166 0 1 HIAF C[C@@H]1C[C@H](N)[C@@]2(N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccccc21 963186495 UEJLIHWIVPADCE-VULPMCOHSA-N 424.850 4.036 0 1 HIAF C[C@@H](c1cc(-c2ccccc2F)no1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1772636969 NVPSKXRFMHOSIX-YEJXKQKISA-N 414.387 4.042 0 1 HIAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 2356286713 MVQVHNOCHJGEIL-OTWHNJEPSA-N 403.530 4.180 0 1 HIAF O=C(NCCCN1CCCC1=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 2481241 COKJRAYZENGZIV-UHFFFAOYSA-N 423.900 4.404 0 1 HIAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2csc3ccccc23)cc1 3814691 KHTBPJNKFSTZEM-UHFFFAOYSA-N 423.441 4.420 0 1 HIAF COc1cccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4n4cccc34)C2)c1 6782630 PZYWXRJGTXPTEM-LJQANCHMSA-N 414.509 4.029 0 1 HIAF CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F 13759858 GLQCTOKPQDLBOJ-UHFFFAOYSA-N 416.291 4.050 0 1 HIAF C/C=C/c1cc(OC)c(O[C@@H](C)[C@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 14677116 FLBWVIKFCMUTDS-QFCBTEGWSA-N 418.486 4.264 0 1 HIAF biogenic,in-vitro CCOC(=O)C1CCN(c2c(C(=O)c3ccccc3)cnc3ccc(F)cc23)CC1 20380666 QRAIECSOUVISLC-UHFFFAOYSA-N 406.457 4.384 0 1 HIAF CCCn1ncc2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncnc21 26571463 OMTWHMDHHSWHNG-UHFFFAOYSA-N 412.541 4.148 0 1 HIAF O[C@H](c1ccc2c(c1)OCO2)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 82078305 KIWNFDKKDNXCDH-CQSZACIVSA-N 413.352 4.250 0 1 HIAF CCCCNC(=O)c1cnc(NCCOC)nc1-c1ccc(-c2ccccc2)cc1 82153313 ZCGBBOWBNHACDR-UHFFFAOYSA-N 404.514 4.399 0 1 HIAF CCCc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCc1ccccn1 82187560 AFHREQKHXGACGQ-UHFFFAOYSA-N 404.493 4.210 0 1 HIAF CC[C@@H]1C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N1 100085814 VVNIRXJTAKNISC-AERANPEPSA-N 420.553 4.382 0 1 HIAF CC1(C)CCN([C@@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C(=O)c2cnn(-c3ccc(F)cc3)c21 101668379 BFXQFSUOOFMKKB-BHNOCKQHSA-N 423.532 4.075 0 1 HIAF c1ccc(-c2nnc(SCCCN3CCN(c4nc5ccccc5o4)CC3)o2)cc1 103198796 MHSVGMVTLFUKJE-UHFFFAOYSA-N 421.526 4.182 0 1 HIAF S=C1N[C@@H]2/C(=C/c3ccccc3Cl)CNC[C@H]2[C@@H](c2ccccc2Cl)N1 103230997 ULTQRBSNPGXDHC-IZECBSCFSA-N 404.366 4.184 0 1 HIAF CC(C)Nc1cccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c1 116590296 ZQYAXECAHPPKQG-OXJNMPFZSA-N 409.555 4.181 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1ccccc1 203329400 MSTHUMBQLQYGKA-SFHVURJKSA-N 410.857 4.356 0 1 HIAF COc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(Cl)c2C1=O 473154463 HTTIWQRQTJDTMJ-UHFFFAOYSA-N 410.813 4.303 0 1 HIAF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3=COCC3)[nH]c2c1 586912544 GJKZHAWRXZGZEM-UHFFFAOYSA-N 409.389 4.144 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914412 HEHDLHRPNJWJBI-UHFFFAOYSA-N 422.462 4.125 0 1 HIAF CCOC(=O)C[C@@H](C(=O)OCC)c1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587107280 ROCWUEYCDUTYLL-GOSISDBHSA-N 417.461 4.355 0 1 HIAF COC(=O)c1ccnc2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)[nH]c12 587144714 OBYBXAFQVQESKE-UHFFFAOYSA-N 405.385 4.224 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(F)c(F)cc1C(=O)O)O2 587381522 IKHXVBWENDZKGD-QHCPKHFHSA-N 409.388 4.463 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587487727 NOCGCJBAUCSWCU-ZNOIYHFQSA-N 419.518 4.439 0 1 HIAF O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)n1ncc2ccc(Cl)cc2c1=O 587651160 MHGUYAVMAVVWCE-MRXNPFEDSA-N 416.308 4.256 0 1 HIAF CC(C)Cn1cc([C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587720385 SXNAOUPTDKUFKA-ADLMAVQZSA-N 416.285 4.484 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(F)cc(Cl)c12 587734936 SRNBOSYPMYBQFK-SKLCBMLGSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2NC(=O)OC(C)(C)C)N1 587741660 HXHWTQCWMISADZ-FRGNPEFRSA-N 413.331 4.395 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCn3c(O)nc4cccc2c43)N1 587775964 ALWHYRNDPHNSRI-PRWKNARSSA-N 416.294 4.215 0 1 HIAF CC[C@@]1(c2ccc(OCC(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587790293 FMEYKLMDDSDENI-ODXCJYRJSA-N 422.294 4.239 0 1 HIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCCO 587796395 KDSZUFXLNHANCP-YJYMSZOUSA-N 408.311 4.200 0 1 HIAF COc1ccc(-c2ccc(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)cc2)cc1OC 587929268 UMBCILFUBXIBSX-UHFFFAOYSA-N 408.479 4.318 0 1 HIAF O=C(O)c1cn2c3c(sc2n1)[C@@]1(CCC3)NCCc2cccc(-c3ccccc3)c21 962663204 DUKYVPQUOKONFN-DEOSSOPVSA-N 415.518 4.487 0 1 HIAF CC[C@]1(c2ccc(OC)c(C)c2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962720259 TUUPLUSSCJZUDA-FXAWDEMLSA-N 411.395 4.414 0 1 HIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(F)c(OC3CCC3)c2)N1 962956007 AWWCZPYMNKRXNJ-DNVCBOLYSA-N 411.807 4.377 0 1 HIAF COc1cc([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)ccc1SCC(=O)O 963097496 FLQYDJQPSPQCMY-ZHRRBRCNSA-N 401.503 4.295 0 1 HIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2csc(C3CC3)n2)N1 963173376 LIYNIVLGECEMQQ-GXTWGEPZSA-N 402.825 4.381 0 1 HIAF COC(=O)/C(=C/c1ccccc1)CN1C(=O)[C@@H](OC)[C@H]1c1ccc(Cl)cc1Cl 1772571124 CABVVHMYOBIKIK-SITXOQRHSA-N 420.292 4.148 0 1 HIAF S=C(Nc1cccnc1)NC1CCN(c2cc(Oc3ccccc3)ccn2)CC1 1857539442 NYMNEPOLHBYNSJ-UHFFFAOYSA-N 405.527 4.224 0 1 HIAF O=C(N[C@H](Cn1ccnc1)C(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 1857555946 VGZAHXJSBCCPHJ-HSZRJFAPSA-N 413.452 4.371 0 1 HIAF CCCCC[C@H](C[C@@H](CCc1ccc(O)c2c1CCCO2)OC(C)=O)OC(C)=O 2356366985 UFKMIQCPIRYOCT-WOJBJXKFSA-N 406.519 4.484 0 1 HIAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCCCN(C)C 2356489046 HYTUDZGQKPADOZ-VABKMULXSA-N 422.654 4.488 0 1 HIAF O=C(c1nc(C(F)(F)F)[nH]c1-c1ccccc1)N1CCN(c2ccccc2)CC1 72103783 PVOLDIUJWJNILF-UHFFFAOYSA-N 400.404 4.058 0 3 HIAF CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C[C@@H](C(C)(C)O)O2 3645834 LKFQSODZCVNSSG-IBGZPJMESA-N 422.477 4.454 0 1 HIAF biogenic,in-vitro CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4213286 VJXQRQLJWUWQOV-WTOYTKOKSA-N 403.567 4.166 0 1 HIAF C[C@@H](NC(=O)c1cc2c(=O)oc3ccccc3c2s1)c1ccc2c(c1)OCCO2 4563782 HBRJDAWMGOPQRN-GFCCVEGCSA-N 407.447 4.270 0 1 HIAF O=C(O)C[C@@](O)(CSCCCCCCc1c(Cl)cccc1Cl)C(=O)O 13758144 FSCMYMQZMXVZDA-QGZVFWFLSA-N 409.331 4.120 0 1 HIAF COc1cccc(-c2cccc(CN3CCN(c4cccc5[nH]c(=O)oc45)CC3)c2)c1 26469475 NLSPQUQPIZRWLB-UHFFFAOYSA-N 415.493 4.119 0 1 HIAF CCN1CCC(Nc2ccc3c(c2)/C(=C(\c2ccccc2)c2ncc[nH]2)C(=O)N3)CC1 36401707 PAUHYDQXWBOZBD-FCQUAONHSA-N 413.525 4.217 0 1 HIAF COCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccccc2F)n1 82150489 GUBHEGSVAJLXSY-DNVCBOLYSA-N 400.498 4.040 0 1 HIAF CCCc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCOC 82189394 QGCMIVZUONMHJE-UHFFFAOYSA-N 408.333 4.387 0 1 HIAF CCOc1cccc(C2(N3CCN(c4cccc(OC)n4)CC3)[C@@H]3CC(C)C[C@H]32)c1 101685254 TUAILPCAUJWQFS-XGDXDOFDSA-N 407.558 4.182 0 1 HIAF Cc1nc(-c2ccccn2)sc1C(=O)NCCCCCC(=O)Nc1ccccc1N 117585852 XIRBPAHUWLLCNK-UHFFFAOYSA-N 423.542 4.025 0 1 HIAF CC(C)C(=O)N[C@@H]1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166929217 PNWOCRDTLIVLAU-OAQYLSRUSA-N 404.514 4.337 0 1 HIAF COC(=O)/C1=C\CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2C[C@H](OC(C)=O)/C(C)=C\CC1 195334396 JQCWXJKSJTVECI-WTXMYRQVSA-N 402.487 4.116 0 1 HIAF Cc1nc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2cc1Br 586996354 GHJWJRXQJDKHQG-GFCCVEGCSA-N 410.113 4.034 0 1 HIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 587041867 HCZGKNUYBRXRHU-SECBINFHSA-N 404.280 4.224 0 1 HIAF Cc1cc(-c2nc3c(Cl)ncc(C)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124134 IPZNNYRGHIOZAZ-UHFFFAOYSA-N 404.801 4.157 0 1 HIAF COc1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587238573 DJZINIIBJMRAMM-YOKWENHESA-N 401.507 4.127 0 1 HIAF NCc1cccc(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 587247075 UNPFHPPDNPSWFJ-UHFFFAOYSA-N 412.902 4.143 0 1 HIAF COC(=O)c1ccc(COc2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)o1 587405020 UMROYIJSWNREQQ-OAQYLSRUSA-N 407.422 4.242 0 1 HIAF CCOc1ccc(OCC)c(NC(=S)n2ncc3ccc(Cl)cc3c2=O)c1 587655207 WGWMSLTUQRKRML-UHFFFAOYSA-N 403.891 4.092 0 1 HIAF O=C(CSc1ccccn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658050 IZSGWVJNTOSRLI-UHFFFAOYSA-N 409.417 4.169 0 1 HIAF Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc(-c2ccccn2)n1 587660956 JTEZWZCWLXJIOI-UHFFFAOYSA-N 409.424 4.352 0 1 HIAF COc1ccccc1[C@@]1(CNC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587756674 RZYCWAHRHUQWIX-SPLOXXLWSA-N 421.354 4.373 0 1 HIAF COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O 587808442 QCSCVPAQLHTTAB-YBTHPKLGSA-N 422.294 4.320 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587844161 KSASTKRGFQPSQE-APBUJDDRSA-N 421.335 4.430 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1COc2ccccc2O1 587863109 QUXUQPRERYNZPY-KRWDZBQOSA-N 404.344 4.058 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(C)cc3OC)[nH]c2c1 587924755 FCRDOWKSZKOOSG-UHFFFAOYSA-N 423.494 4.356 0 1 HIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3csc(Br)c3)N12 962625049 AVGNXUWWWVWKQS-QFBILLFUSA-N 417.328 4.247 0 1 HIAF CCOC(=O)[C@@]1(c2cc(Cl)ccc2OC)c2c(F)cccc2C[C@@H]2CCCN21 963089292 GTEQGBKHDIQYHL-KSFYIVLOSA-N 403.881 4.315 0 1 HIAF Cc1ccnc2c1c([C@H]1N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc31)cn2C 963164814 ADGUQWBGSBWAND-WBVHZDCISA-N 423.822 4.242 0 1 HIAF CCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12 1772605454 GJAILVFUEJGCDB-UHFFFAOYSA-N 416.525 4.212 0 1 HIAF CCCNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1 1857590649 ONCISRGILICLSQ-UHFFFAOYSA-N 413.521 4.480 0 1 HIAF COc1cc(Br)ccc1O[C@H](C)Cn1cc(-c2ccc(F)cc2)nn1 1857600988 WYZKXKSGHIWUGX-GFCCVEGCSA-N 406.255 4.323 0 1 HIAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@@]1(C)O 2356515232 HBYBDKQFQLMBGU-AWRGLXIESA-N 400.515 4.446 0 1 HIAF CC(C)C(=O)O[C@H]1C[C@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@]12C 2356721922 SNZFZCATEUKWED-CDKAXJOTSA-N 406.563 4.275 0 1 HIAF COc1cc2cc(C(=O)N[C@@H](C)c3cccc4ccccc34)c(N)nc2cc1OC 95570049 SMRGDRXOPYCHTR-AWEZNQCLSA-N 401.466 4.478 0 3 HIAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2cccc(C(F)(F)F)c2)nn1 203462433 WVFBXTXNAYADCH-UHFFFAOYSA-N 404.392 4.114 0 3 HIAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4296182 OSFWGZVZPVATPD-CTNGQTDRSA-N 417.912 4.029 0 1 HIAF NCCc1ccc(OCc2ccc(C(F)(F)F)cc2)c(I)c1 13681058 VKROPMWPWUFEPK-UHFFFAOYSA-N 421.200 4.390 0 1 HIAF COCCN(C(=O)c1cc(C)nn1C)[C@H]1c2ccccc2CC[C@H]1c1ccsc1 40862818 YYWXHWBVIVERGF-UNMCSNQZSA-N 409.555 4.350 0 1 HIAF O=C(NCc1cccc(-c2cccc(CN3CCNCC3)c2)c1)c1ccc(Cl)cc1 40955876 ZLHVGKHJBXYUBJ-UHFFFAOYSA-N 419.956 4.342 0 1 HIAF CC(C)NC[C@@H](O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2N(C)C 66262844 QRJWWKRLFSIDAO-MJJBNZMOSA-N 414.634 4.211 0 1 HIAF CC(C)CNC(=O)c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 84759157 VNSDTVIXWIWSQT-UHFFFAOYSA-N 411.483 4.143 0 1 HIAF CCCSc1nc(N2CCCC[C@@H]2C(=O)O)ccc1C(=O)NC1CCCCC1 95578345 OUWJQKDZRGZBGA-QGZVFWFLSA-N 405.564 4.090 0 1 HIAF CC(=O)O[C@@H]1C[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc(O)cc2)C=C1C 95912713 XLXAJOASBOPLDJ-APTBEKPVSA-N 416.514 4.003 0 1 HIAF biogenic,in-vitro O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cccc(-c3cnco3)c2)C1 96272128 LAKLCGNXYNXBFW-KRWDZBQOSA-N 409.873 4.486 0 1 HIAF Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1Br 103266654 HDLUQWDWOQUBJE-UHFFFAOYSA-N 410.215 4.158 0 1 HIAF COc1ccc(OC)c(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 167709931 NRXBXXWPTCSSMB-UHFFFAOYSA-N 404.455 4.390 0 1 HIAF CN(C)c1ccc(-c2nc3n(n2)[C@H](c2cccnc2)[C@H]2C(=O)CC(C)(C)CC2=N3)cc1 169690041 WOSDUEIWRIPHEQ-NHCUHLMSSA-N 414.513 4.087 0 1 HIAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4nc(C(=O)O)cc(C5CC5)n4)c3c2)o1 204782085 FGQCVFKIQHFEDF-UHFFFAOYSA-N 404.430 4.071 0 1 HIAF CC[C@H](C)C(=O)O[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 229756267 PCZOHLXUXFIOCF-UVPOWXHZSA-N 404.547 4.196 0 1 HIAF COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@H]3CCCCN13)OC(=O)C=Cc1ccc(O)c-2c1 253803324 CDTGNBVPXHNHGE-WWMYMODYSA-N 421.493 4.401 0 1 HIAF CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cncc4ccccc34)ccc21)C(=O)O 299833963 PWNHVKLDQYVVFM-QFIPXVFZSA-N 415.493 4.472 0 1 HIAF NS(=O)(=O)c1ccccc1NC(=O)N(c1ccccc1)c1cccc(Cl)c1 473127335 BEYDEOQQRKPKOQ-UHFFFAOYSA-N 401.875 4.358 0 1 HIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Br)cnc3[nH]2)cs1 587019487 OXDVFNLGNXVFLD-UHFFFAOYSA-N 410.297 4.115 0 1 HIAF Cc1onc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)c1COc1ccc(Cl)cc1 587076904 ZPHZCGBDTQTQAM-UHFFFAOYSA-N 410.861 4.461 0 1 HIAF C[C@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129301 WHDXTRYHKKKUHV-ZCFIWIBFSA-N 424.807 4.301 0 1 HIAF CNS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587209934 XUPPXQICDYHWJB-UHFFFAOYSA-N 400.459 4.021 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(C(=O)O)[C@H]1c1ccc(F)cc1 587328397 AHRUSYFWVVEDKR-NZQKXSOJSA-N 410.372 4.095 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(CC(=O)O)c1)[C@@H](C2)C3=O 587446197 ASPLVDPMTIPVGW-NBGIEHNGSA-N 400.430 4.014 0 1 HIAF CCc1cc(=O)oc2cc(O[C@@H](C)[C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc12 587454831 YUJYDHNSNGQKQY-MFMWZZQQSA-N 420.461 4.338 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(NC(C)=O)cc1)CC2=O 587471397 RSHFUVRUXQDAER-HSZRJFAPSA-N 410.470 4.056 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586488 IMBWOGSDUYGHQC-YXFNCBRHSA-N 423.465 4.122 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591637 WOZSGIJHIGZZFJ-WMZHIEFXSA-N 415.401 4.363 0 1 HIAF C[C@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651939 SAXZTFICAQGUPI-JTQLQIEISA-N 412.751 4.056 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c2ccc(Cl)c1F 587738303 MNSSATFBRFHOEY-SKLCBMLGSA-N 413.649 4.111 0 1 HIAF COC(=O)N(C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 587741480 NKWGYZOYQSGBRB-LRDDRELGSA-N 407.283 4.437 0 1 HIAF CCCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587767819 JWCMMJLVRCJKRO-MPBGBICISA-N 403.295 4.123 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)OCc3ccccc3)C2)N1 587801139 IXTSNCBECKRJEV-DTKABELVSA-N 418.306 4.471 0 1 HIAF O=C(O)Cc1ccc(-c2ccc(CN3CC(=O)N(C4CCCCC4)C3=O)cc2)cc1 653783618 FCBNIGYWLCSYNM-UHFFFAOYSA-N 406.482 4.078 0 1 HIAF CCCCC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12 653790965 PTVVMHUYKQVJJE-UHFFFAOYSA-N 415.541 4.379 0 1 HIAF COc1ccc(-n2c(C)c(C)c([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)c2C)cc1 962898975 NJCDZJJZSPCKHK-REWPJTCUSA-N 408.473 4.239 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)N(C)c1c(C)cc(Br)cc12 962946185 KOUHUVWIJIYKGE-FPTDNZKUSA-N 424.342 4.383 0 1 HIAF CCC(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)NCCc3nc4ccccn4c32)c1 962987336 VWYXDPBQGRIVKF-KRWDZBQOSA-N 411.720 4.015 0 1 HIAF Fc1ccc(-c2c[nH]c(=NCCCCCN=c3[nH]cc(-c4ccc(F)cc4)[nH]3)[nH]2)cc1 1857759553 CYVGSQUTYDEDPS-UHFFFAOYSA-N 422.483 4.283 0 1 HIAF CC(=CC[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]1(C)O)[C@@H]23 2356523626 YSJDJCWAZGWPOS-FMXDJBFHSA-N 416.558 4.484 0 1 HIAF CC(C)N(C)c1nc2ccc(NC(=O)c3cnc(-c4ccc(F)cc4)cn3)cc2[nH]1 8566833 BDXRLEAUQDLAMC-UHFFFAOYSA-N 404.449 4.256 0 1 HIAF Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 8623972 PKYJLMPZSVTUFZ-DHIUTWEWSA-N 414.553 4.456 0 1 HIAF biogenic CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCCC3)CC2)cc1 13444582 BHZVLTKKVOPLTE-UHFFFAOYSA-N 415.578 4.052 0 1 HIAF CCCC(CCC)N1CCn2c(=O)n(-c3ccc(C(=O)OC)cc3)c3nc(C)cc1c32 13652920 WDDJMUHMBSJFAY-UHFFFAOYSA-N 422.529 4.071 0 1 HIAF CCCCOc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)CC2CCCCC2)cc1 26277962 ZZLSSSJXYUITBH-UHFFFAOYSA-N 405.564 4.360 0 1 HIAF CCOC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2 36271644 AKVQJIISOMHZTO-JSXRDJHFSA-N 401.453 4.143 0 1 HIAF O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1ccc(Cl)cc1Cl 71329901 DFXFRZMUVZWJNP-CHHVJCJISA-N 423.277 4.335 0 1 HIAF C[C@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2cccc(C(=O)O)c2)C1=O 72106210 CZUIQZMZFALDNR-HSZRJFAPSA-N 418.405 4.398 0 1 HIAF Cc1cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n2nc(-c3cccc(F)c3)cc2n1 72181546 VHWJTMPXAGEPLP-KRWDZBQOSA-N 411.481 4.265 0 1 HIAF COCCn1c(CCc2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 82180897 RTAPEBJKBNJLGY-UHFFFAOYSA-N 419.504 4.052 0 1 HIAF Cc1cccc2cc([C@H](C)Nc3nc(Cl)ncc3N)n(-c3ccccc3)c(=O)c12 88346044 GWCREWHOURAZGN-AWEZNQCLSA-N 405.889 4.498 0 1 HIAF CCc1c(C)oc(=O)c([C@H](C)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c1O 95589366 LVDPVGRUFHBLMZ-LLVKDONJSA-N 416.470 4.196 0 1 HIAF O=c1c2ccccc2sn1[C@H](Cc1ccccc1)c1nnc(-c2ccncc2)o1 95593237 HQPJMAJVSMTGNL-GOSISDBHSA-N 400.463 4.340 0 1 HIAF COc1cc(/C=C2\N=C(O)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 102152094 DQPRQEYWAYIBFI-HNIBHBHRSA-N 420.444 4.187 0 1 HIAF Cc1nc(N(C)[C@H]2CCc3c(c4cc(F)ccc4n3CC(=O)O)C2)c2ccccc2n1 145838529 JHIODBSJWKKQHY-INIZCTEOSA-N 418.472 4.110 0 1 HIAF CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C 195168347 FRGNNZYHLRTEQP-FNAHDJPLSA-N 415.480 4.485 0 1 HIAF N[C@H]1CCCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)CC1 205257193 KVEJZUZWKMNBSE-INIZCTEOSA-N 402.477 4.144 0 1 HIAF Cn1ccnc1CN1CCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C1=O 206190083 FOORLPBGPRHTSK-UHFFFAOYSA-N 417.387 4.021 0 1 HIAF C=CC(=O)N1CCC(Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1 221416385 BOEBRCZSEBGOJF-UHFFFAOYSA-N 415.497 4.107 0 1 HIAF CC[C@H](O)CC[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 255219360 IEUNGVZFLKERGL-CSQIMCKJSA-N 422.650 4.135 0 1 HIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 586939191 YSPROFBHITWMAX-NSHDSACASA-N 408.321 4.069 0 1 HIAF Cn1ncc(Br)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586983819 CRPCQSFSLPILBT-UHFFFAOYSA-N 406.239 4.315 0 1 HIAF C[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cnc2cccc3c2c1-c1ccccc1C3=O 587104898 WSADGJRMJJAGIL-AWEZNQCLSA-N 416.477 4.471 0 1 HIAF COc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402699 GMDCEQZKOBMWBG-XMMPIXPASA-N 403.434 4.193 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4ccccc4)cc1)[C@@H](C2)C3=O 587427416 CTMJEKXUKVYZJT-NBGIEHNGSA-N 415.445 4.201 0 1 HIAF C[C@H](NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1ccccc1 587660774 TVEKKMVQKQLRNI-INIZCTEOSA-N 401.441 4.194 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2N2CCOCC2)N1 587722544 SLIQXKRCKXOCQC-FKIZINRSSA-N 423.301 4.188 0 1 HIAF COc1ccccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587745561 WNYDIQLUGDTJIW-YUNKPMOVSA-N 421.310 4.375 0 1 HIAF Cc1ccc([C@]2(c3nccn3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587757069 URGLQVPSNKURBZ-QKKBWIMNSA-N 414.322 4.456 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CN(C(=O)OC(C)(C)C)C2)N1 587758306 CTTPGZSBOKCILA-WLRWDXFRSA-N 413.331 4.205 0 1 HIAF CC(C)Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CO 587789908 DUSCDGHPBQXBSX-FKIZINRSSA-N 408.311 4.491 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ncon3)cc2)N1 587790972 DQSKIQFJTAFZQV-WLRWDXFRSA-N 418.266 4.174 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCC(=O)O)cc2)N1 587796422 STYMBWRWHPUVPL-YUNKPMOVSA-N 422.294 4.455 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(C(=O)O)ccc32)N1 587827761 QSJNUEHGAPPWBS-PRWKNARSSA-N 404.279 4.401 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ncccn3)n2)N1 587851172 HLXZGUUUHDAFHT-RFAUZJTJSA-N 405.296 4.125 0 1 HIAF CC[C@@]1(c2ccc(OC)c(C)c2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962720268 TUUPLUSSCJZUDA-XLIONFOSSA-N 411.395 4.414 0 1 HIAF Cc1cc(C)cc([C@@]2(CCCC(=O)O)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962727818 BASIIPMBLDOIDE-SIKLNZKXSA-N 419.443 4.448 0 1 HIAF C[C@@]1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903160 MDAMEJFFOTZNAP-URXFXBBRSA-N 405.425 4.053 0 1 HIAF Cc1nc2ccc(-c3ccc(CN4CCC[C@H]4CO)cc3)cc2n1C[C@H]1CCCO1 1772630847 WQSNRUPTXRLHMZ-XZOQPEGZSA-N 405.542 4.147 0 1 HIAF Nc1ncnn2c(-c3cccc(C(=O)O)c3)cc(-c3ccnn3C3CCCCC3)c12 1857576301 HXNNCLVSKQYQAP-UHFFFAOYSA-N 402.458 4.045 0 1 HIAF CC1=C[C@H](CNC(=O)COc2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356319679 XFSWKPIPMAOXBR-QZNHQXDQSA-N 412.574 4.049 0 1 HIAF COC(=O)c1cccc2c1C(O)=C1c3[nH]c4ccccc4c3CCN1[C@H]2CC(C)=O 2356866637 VNZIETRQKRCGJR-IBGZPJMESA-N 402.450 4.230 0 1 HIAF O=c1c2c3c(sc2n2cnnc2n1-c1ccccc1)N(Cc1ccccc1)CCC3 2272521 MOYYXEZSCYBQTO-UHFFFAOYSA-N 413.506 4.048 0 3 HIAF CCCCNC(=O)c1onc(CSc2cccc(OC)c2)c1C(=O)NCCCC 12477431 UABDPNHYJNLQFF-UHFFFAOYSA-N 419.547 4.035 0 3 HIAF CCCCc1nc(CCCC)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cn2)n1 1534665 XPRWTMFBVBRNJE-UHFFFAOYSA-N 416.533 4.254 0 1 HIAF C=CS(=O)(=O)Nc1cccc([C@H](c2c(O)oc3c(c2=O)CCCCC3)C2CC2)c1 5853033 GSGZEKIYJDRTOC-LJQANCHMSA-N 415.511 4.041 0 1 HIAF O=C(NCc1ccc(F)cc1)c1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)o1 6895802 KKTKIQVOKQTOHI-HHHXNRCGSA-N 405.878 4.451 0 1 HIAF O=S(=O)(c1ccccc1)[C@@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 13675700 CFDCTBOVDXIEET-LGVFNWMJSA-N 420.486 4.022 0 1 HIAF CCCCC1=NC2(CCNCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13833573 SLNBALWSFAPJCN-UHFFFAOYSA-N 419.525 4.105 0 1 HIAF C[C@H](C1=C(O)[C@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O)c1ccccc1 26837969 VMPXKFBRICFDMH-SSOJOUAXSA-N 407.510 4.445 0 1 HIAF Clc1ccc(N2N=C(CNN3CCOCC3)C[C@H]2c2cccs2)c(Cl)c1 28866956 RQQMMRHOBQYDJE-KRWDZBQOSA-N 411.358 4.199 0 1 HIAF CC(C)(C)c1ccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)cc1 34661202 NYSSYBPYKWNMSG-UHFFFAOYSA-N 407.514 4.170 0 1 HIAF CNc1cc(Nc2cc(C3CC3)n[nH]2)nc(NCc2cc(-c3ccccc3)no2)n1 35951170 BBBGFVSQZZODBI-UHFFFAOYSA-N 402.462 4.130 0 1 HIAF COc1cc(Nc2cncc(Oc3ccc4c(c3)CCC4=O)n2)cc(OC)c1OC 42887669 BGAYLYUBJFCHSW-UHFFFAOYSA-N 407.426 4.167 0 1 HIAF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2cccc(SC(F)(F)F)c2)cc1 45194129 YUTOIFCTFXRSRR-UGSOOPFHSA-N 413.461 4.339 0 1 HIAF O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccc2c(c1)NSN2 45390464 PWBKMNPVFSREQW-UHFFFAOYSA-N 405.439 4.301 0 1 HIAF Cc1nc(CNC(=O)c2ccc(-c3cc(C(=O)NC4CC4)cc(F)c3C)cc2)cs1 71295190 WNLNIJQBMRFLAJ-UHFFFAOYSA-N 423.513 4.388 0 1 HIAF O=C(OCc1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72185729 QICIFQGAKTXHKJ-QFIPXVFZSA-N 422.916 4.174 0 1 HIAF Cc1ccc(S(=O)(=O)N[C@H](/C(=C/c2cccs2)[N+](=O)[O-])c2ccccc2)cc1 84669544 CICAJIUPOMSBIU-STIKNRRDSA-N 414.508 4.394 0 1 HIAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc31)[C@H]1CC[C@H](C2)N1 101471475 WSRBKUJVSSSBNG-CXAGYDPISA-N 420.456 4.379 0 1 HIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(Br)ccc1OC 104115918 AFSGVXHXQIRJOK-SCDSTIRESA-N 421.295 4.331 0 1 HIAF COc1cc(C(=O)NCc2ccc(Br)cc2Cl)ccc1-c1cn[nH]c1 221699939 MFBHZMTZVKYMTG-UHFFFAOYSA-N 420.694 4.431 0 1 HIAF Cn1c(CC2CC2)nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc21 223480012 ONWWTUSCDNWRTD-UHFFFAOYSA-N 403.457 4.395 0 1 HIAF Cc1cccc([C@H]2[C@H]3CCc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)c1 299855265 AVIBDSHVTBXTQH-UPVQGACJSA-N 417.534 4.170 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 299883189 QXSMWXUTFDQBEL-KZCJGOGDSA-N 418.896 4.094 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)c5ccsc5)[nH]c4c3)o2)cc1 587025285 KLEVFVWGAXZTAZ-GOSISDBHSA-N 403.467 4.398 0 1 HIAF COC(=O)c1cc(Br)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587084470 NGJBABZTUPDVID-UHFFFAOYSA-N 401.047 4.481 0 1 HIAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587259644 GRIHTRUPIMFYJD-INIZCTEOSA-N 413.506 4.181 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(Br)cc1)O2 587372111 NYAQDPMTRALELA-LJQANCHMSA-N 403.276 4.092 0 1 HIAF CC[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438661 QMRDEFLEYDAEAK-HXOBKFHXSA-N 401.503 4.239 0 1 HIAF COC(=O)C[C@]1(Cc2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506900 QQKASRBZBYTWGA-QHCPKHFHSA-N 400.421 4.353 0 1 HIAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)nn1C 587554136 HKAMEJPOTPNHCE-MAUKXSAKSA-N 404.344 4.156 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ncccn1 587569977 JRVRJEQDXNRNAT-RDPSFJRHSA-N 414.392 4.227 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1COC(C)=O 587589785 AJNFNRPJUYAZDK-URXFXBBRSA-N 420.417 4.167 0 1 HIAF Cc1cc(=O)oc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)ccc12 587605615 AGHUIBARHRDQPH-HYBUGGRVSA-N 416.385 4.216 0 1 HIAF COc1ccc2occ([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 587606198 CECKVCAQZCSRAE-RDPSFJRHSA-N 416.385 4.210 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccc(-c2cccnc2)n1 587656740 MBHADJMFZYKIAN-UHFFFAOYSA-N 413.387 4.183 0 1 HIAF CCOc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587656855 SDCWSPLDRNGYBV-UHFFFAOYSA-N 406.388 4.429 0 1 HIAF CCOC(=O)[C@@]1(CCC(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587709081 HVDKSOOEXVSDQK-VFZGTOFNSA-N 412.221 4.223 0 1 HIAF Cc1cc(C)cc(-n2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c1 587764830 RKIKKJWUEVNWKN-ZUOKHONESA-N 415.310 4.409 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc(N)sc3c2)N1 587857637 MEYDZDKMUVCWJT-YYSFKGJASA-N 406.324 4.578 0 1 HIAF Cc1cc2c(cc1O)[C@@](C)(c1cccc(OCc3ccccc3)c1)N[C@H](C(=O)O)C2 963509517 NVJRVVSVURAEBC-WIOPSUGQSA-N 403.478 4.142 0 1 HIAF COc1ccc([C@@H]2C[C@H](OC(=O)C=Cc3ccc(O)cc3)C[C@H]3CCCCN23)cc1O 2356638843 SYMZKAVNWGDBHC-FCEUIQTBSA-N 423.509 4.421 0 1 HIAF C[N+]1=C2N[C@@H](c3ccccc3)CC(=O)N2/C(=C\c2ccccc2)[C@@H]1Cc1ccccc1 205717034 PWDBNIPFQWAUDA-LGCFKWLWSA-O 408.525 4.214 0 3 HIAF Cc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1 6737495 RMCVJWFKYJVSED-UHFFFAOYSA-N 417.918 4.267 0 1 HIAF Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCC3 13488021 HKELRUMBUSUQHV-GMAHTHKFSA-N 407.533 4.385 0 1 HIAF COc1ccc(CCCCN(C)CCOc2cc(F)cc3c2OCCC3=O)cc1 13780406 NNRNZFWOGRHYCF-UHFFFAOYSA-N 401.478 4.133 0 1 HIAF O=C(OCCF)[C@@H]1[C@@H](c2ccc(Br)cc2)C[C@H]2CC[C@@H]1N2CCCF 36271378 XXLBWUCJODELRH-ZJPYXAASSA-N 416.306 4.258 0 1 HIAF Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC1CCCC1)CC2 43064483 CLDKXNKKBNATOL-UHFFFAOYSA-N 421.607 4.212 0 1 HIAF CC(C)(C)OCCCn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21 49785858 OKLRVHBRQCOLJP-UHFFFAOYSA-N 415.925 4.001 0 1 HIAF Cc1ccc(C(=O)NC2CC2)cc1Oc1nncc2c1cnn2-c1c(F)cccc1F 49792638 WKKWZABEIJVJBW-UHFFFAOYSA-N 421.407 4.087 0 1 HIAF Fc1ccc(OCc2nc3c(OCCCNCc4cccnc4)cccc3o2)cc1 64527846 CJRMNJJLRDIQJI-UHFFFAOYSA-N 407.445 4.500 0 1 HIAF O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 95875772 NPXWAHHKOIONJD-SDHSZQHLSA-N 422.544 4.044 0 1 HIAF CCCC[C@@](C)(O)[C@H]1C[C@]2(C)C=C[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 96941875 NBXXYUJPXCRTQC-CCCFVBFXSA-N 409.570 4.175 0 1 HIAF COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 100618720 PILAMBNAJPBLFA-AOVWKMQPSA-N 416.481 4.408 0 1 HIAF c1ccc2c(c1)c1cnc(Nc3ccc(N4CCNCC4)cn3)nc1n2C1CCCC1 117693682 HXNPDRQGWMHOBE-UHFFFAOYSA-N 413.529 4.248 0 1 HIAF CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C)CC4)on3)c2)ncn1 142301728 AQICPDDTSXPRAQ-UHFFFAOYSA-N 418.457 4.063 0 1 HIAF O=C(Nc1ccc(-c2n[nH]c(=O)c3cccc(F)c23)cc1)N1Cc2ccccc2C1 167141324 QJQSUURRBCTTST-UHFFFAOYSA-N 400.413 4.277 0 1 HIAF CC(C)c1ccc([C@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 169687601 YELGSQQDYSUPJV-GOTSBHOMSA-N 412.489 4.357 0 1 HIAF Cc1cc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)ccc1Cl 220253044 PGGUEZNUFKWSQN-UHFFFAOYSA-N 421.931 4.436 0 1 HIAF C[C@H]1[C@H](C)CCC[C@H]1c1cc(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c12 253637849 LRVYIKQEJRCWSM-SOLBZPMBSA-N 418.545 4.045 0 1 HIAF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 299861487 LMNNREGZFWTMTA-MRXNPFEDSA-N 414.943 4.381 0 1 HIAF Brc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1 586997174 AYEMIAHVHZMMIA-RJRFIUFISA-N 423.064 4.382 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023333 IWWQTHQSPBAIGY-UHFFFAOYSA-N 412.540 4.384 0 1 HIAF CN(C)c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)nc1 587194842 PDIRVFZXKVURPY-UHFFFAOYSA-N 401.186 4.352 0 1 HIAF Cc1cc(F)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587331559 HWRZBWWKLIXZRD-XXBNENTESA-N 407.372 4.185 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c2ccc(F)c3F)[C@@H]1c1ccc(F)cc1 587338006 SSTTVPRFIJJABJ-VGOFRKELSA-N 411.335 4.016 0 1 HIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)n1 587342052 YKXGTNMGINKMPI-NFBKMPQASA-N 409.413 4.218 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(OC[C@H]3CO3)cc1)O2 587415068 YGPXACHIDDUKIE-NBGIEHNGSA-N 401.462 4.264 0 1 HIAF COc1ccc([C@@]2(Cc3ccncn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525795 OBRXIWIEHFGFPA-RUZDIDTESA-N 400.478 4.467 0 1 HIAF Cc1nc(NC[C@@H]2CCCO2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587536325 UNJPDDYTVXAJAF-HJPURHCSSA-N 412.555 4.802 0 1 HIAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2ncnc(Cl)c21 587551916 LDJYWCDWRDCYKU-OXJNMPFZSA-N 407.813 4.030 0 1 HIAF COC(=O)c1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587806105 UQNWLHNWKVQANF-GIGQVBGESA-N 417.278 4.480 0 1 HIAF C/C(=C/[C@]1(c2nccs2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587853878 OJYQGGAVMLTEMG-FBYCMSNQSA-N 410.356 4.288 0 1 HIAF CC(C)c1nn(C)c2c1[C@](Cn1cnc(Cl)c1Cl)(c1ccc(F)cc1)NCC2 962920455 SEQDTXOVMFPYCQ-FQEVSTJZSA-N 422.335 4.275 0 1 HIAF CCCCCN1C(=O)C/C(=C\c2cccc(C(=O)Nc3ccc(OC)cc3)c2)C1=O 1857574919 BOKPRVJNEZUQOI-XDJHFCHBSA-N 406.482 4.280 0 1 HIAF Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c(C(=O)c2ccc(F)cc2)c1 13602448 YCYREPMLKQUCTN-UHFFFAOYSA-N 423.396 4.195 0 1 HIAF O=C(c1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21 13735031 HFIDBNWIDZUZTP-UHFFFAOYSA-N 401.401 4.099 0 1 HIAF CCCc1c(C)nnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn12 13861636 FEKUELUQITZNDF-UHFFFAOYSA-N 424.501 4.262 0 1 HIAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)Nc1nccs1)C2 15709135 ZFUJXRWIEDOTHM-DOTOQJQBSA-N 401.576 4.080 0 1 HIAF biogenic CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1cc(C)c(C(=O)O)c(C)c1 27866859 JSGHWCYYCKAHPU-QFIPXVFZSA-N 424.497 4.265 0 1 HIAF C[C@@]12C3=C(CC[C@H]1[C@]1(C)CC[C@H]4[C@](C)(CO)CCC[C@]4(C)[C@H]1C[C@H]2O)COC3=O 40939452 BHUWRPVVYSATJU-PWBGEZQRSA-N 402.575 4.242 0 1 HIAF in-vitro O=C(Nc1ccccc1C(=O)Nc1cc(F)c(F)cc1C(=O)O)c1ccccc1F 84708157 XGSWJFBAQWFLIW-UHFFFAOYSA-N 414.339 4.307 0 1 HIAF S=c1oc(-c2ccc3ccccc3n2)nn1CN1CCN(c2ccccc2)CC1 95594089 XHFQCFJXCOQQNQ-UHFFFAOYSA-N 403.511 4.200 0 1 HIAF CC[C@@H]1C/C=C/C[C@H](C)Oc2ccccc2C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N1 100087704 VVNIRXJTAKNISC-HMZLEBDGSA-N 420.553 4.382 0 1 HIAF CCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@@H]4CC[C@@H]3N4)ccc21 100632952 VBKANYWYTNJEAU-JXFKEZNVSA-N 419.550 4.335 0 1 HIAF COCCNc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 105173354 AOUCHGVBSUVBDR-GIUOSPMZSA-N 422.573 4.311 0 1 HIAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@@H](c2ccccc2Cl)C1 116977757 IQRDNJXZWCVKSM-HUUCEWRRSA-N 411.937 4.439 0 1 HIAF CCn1nccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 143043772 KRDPQESHWXASCF-UHFFFAOYSA-N 405.893 4.256 0 1 HIAF Cc1nc2ccc(C(F)(F)F)nc2n2c(-c3cc(C(C)(C)O)ccc3F)nnc12 145749457 KPJWOTOSLRSQKP-UHFFFAOYSA-N 405.355 4.033 0 1 HIAF COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2[C@@H]2SC(=O)NC2=O)cc1 169298833 DSASXCJKPZGHQH-IFMALSPDSA-N 417.490 4.309 0 1 HIAF O=C(Cc1ccccc1)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 169317723 YSQGOAIMOXCEEX-QHCPKHFHSA-N 404.853 4.242 0 1 HIAF COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 169695444 NDHLMKVKIRPOHC-FGZHOGPDSA-N 417.461 4.454 0 1 HIAF O=C(Nc1ccccc1)N1CCC([C@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1 203788239 YQNFLDBZFLCLLR-FYYLOGMGSA-N 402.498 4.148 0 1 HIAF COC(=O)CNc1cccc([C@H](C)Nc2cc(-c3cccc(OC)c3)nc(C)n2)c1 205830213 VMAFIYLDMOGRBG-HNNXBMFYSA-N 406.486 4.219 0 1 HIAF CC(C)C[C@@H](CNC[C@@H](CC(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 206758135 KHCDLVBIJAFNTF-HDICACEKSA-N 415.619 4.455 0 1 HIAF S=C1N[C@@H]2/C(=C/c3ccccc3Cl)CNC[C@@H]2[C@H](c2ccccc2Cl)N1 261174031 ULTQRBSNPGXDHC-BLTABXLUSA-N 404.366 4.184 0 1 HIAF CCn1cc(Br)c(Cc2nc3ccc(F)c(Br)c3[nH]2)n1 586999609 CHOOLJTUTHSAIH-UHFFFAOYSA-N 402.065 4.034 0 1 HIAF Fc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 587019291 WVPREGNLSANQQK-UHFFFAOYSA-N 402.838 4.236 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Cl)nc(Cl)c4[nH]3)cc12 587038930 VEYRKCPURKKEQT-ZETCQYMHSA-N 409.302 4.012 0 1 HIAF Nc1ccc(-c2ccc3nc(C4CCN(c5nccnc5Cl)CC4)[nH]c3c2)cc1N 587084994 MBMVCRBZQJTXTO-UHFFFAOYSA-N 419.920 4.222 0 1 HIAF C[C@@H]1CCCCN1C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346571 RWUGPMHXDMPTMF-PKAUSPCKSA-N 411.473 4.440 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC[C@H]4CCCCO4)c(F)c1)[C@@H](C2)C3=O 587425689 GIORLMOHGVLZHC-YLNUKYHNSA-N 412.457 4.445 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)ccc1I)[C@@H](C2)C3=O 587428309 NRWGJJAOJXGFRY-SCLBCKFNSA-N 424.209 4.102 0 1 HIAF CCn1ncc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538417 DUBJELIVOYJHFP-DNVCBOLYSA-N 415.243 4.074 0 1 HIAF COC(=O)CC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572354 SFFKRXAMADGINI-ZJSXRUAMSA-N 422.408 4.342 0 1 HIAF Cc1nn(-c2ccccc2)c(N)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584041 YPYPQKOCJDTJPO-REWPJTCUSA-N 413.433 4.171 0 1 HIAF Cc1ccc(NC(=O)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C 587658939 VMVXGBYLTRHXFM-UHFFFAOYSA-N 415.424 4.098 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)oc3ccc(F)cc3c2=O)N1 587732601 NFUOCBRUCVXJIP-QPFGOUBPSA-N 421.241 4.040 0 1 HIAF CCCOc1ccccc1[C@@]1(CN)N[C@@H](C)Cc2cc(Br)c(F)cc21 587749729 QHZIFWZJBPHILP-RNODOKPDSA-N 407.327 4.114 0 1 HIAF CCOC(=O)COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587790743 GEMVSTDRCQVNQQ-FKIZINRSSA-N 422.294 4.154 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587800184 VTZIKYJLFSQHKS-MPBGBICISA-N 422.294 4.025 0 1 HIAF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805372 UBHHPHKDYLIBDS-WVDJIFEKSA-N 417.278 4.240 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(N)=S)cc2)N1 587842129 DDKXWSIOQGIKOF-MGNBDDOMSA-N 408.340 4.041 0 1 HIAF FC(F)(F)[C@]1(Cc2cnccn2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629858 CNWHLSPOBBLYJU-GMAHTHKFSA-N 424.470 4.224 0 1 HIAF Cc1cc(C)cc(NC(=O)C[C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962760101 CXTFKEYLWRMILQ-RXVVDRJESA-N 404.432 4.193 0 1 HIAF CC(C)CNC(=O)[C@H]1[C@@H]2C[C@@H]3[C@H](CCCc4ccc5c(c4)OCO5)[C@@H]4[C@@H]3[C@H]2C=C[C@H]14 2356368718 MZNYKIXDEPFZJF-SOFRPZRKSA-N 407.554 4.441 0 1 HIAF C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 205709206 GTAKZDGQCJBOTQ-GCQDIAHQSA-N 408.464 4.395 0 3 HIAF COc1ccc([C@H]2[C@H](C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3C(=O)N2C)cc1 12469855 QWZWKHVQNCFOCR-RZRCNZQPSA-N 406.526 4.110 0 1 HIAF Cc1ccc([C@H](Nc2nsnc2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)o1 40380686 UNPQYPMTWSIZRR-MRXNPFEDSA-N 415.519 4.400 0 1 HIAF Cc1cc(OCCCN2C[C@H]3CN(C)[C@@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49050588 ZHACVDSMPRHWEQ-VGOFRKELSA-N 408.521 4.001 0 1 HIAF C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2[C@@H]1CCOC1)[C@H](O)[C@@H]1OC[C@]2(C)CCC(=O)[C@@]3(C)[C@@H]12 95592821 ARKGGIVBWHHQPU-NZCTVVPCSA-N 414.586 4.157 0 1 HIAF Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3C(=O)OC2CCC2)c1C 101417585 RDIQKPSJBZYAJM-IRXDYDNUSA-N 424.501 4.344 0 1 HIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccc(F)c(Cl)c1 205426864 SKKQHCXDOFMOGY-SNVBAGLBSA-N 413.844 4.034 0 1 HIAF Nc1nc(Nc2ccccc2)nc2c1C[C@@H](c1c(Cl)cccc1Cl)C(=O)N2 299824875 IFIYOQUZPRHREW-NSHDSACASA-N 400.269 4.388 0 1 HIAF Cc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1Cl 587000569 QUOOXPAEXUGGCV-UHFFFAOYSA-N 420.694 4.255 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc([C@@H](C)O)s5)[nH]c4c3)o2)cc1 587022817 ZHKHGDKWNPTZNN-LLVKDONJSA-N 419.466 4.465 0 1 HIAF CCN1C(=O)C[C@@H](c2nc3cc(F)cc(C(=O)O)c3[nH]2)[C@@H]1c1ccccc1Cl 587062070 RJYWENWSVQQCCH-ACJLOTCBSA-N 401.825 4.131 0 1 HIAF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccc(I)cc1 587213429 RQKZMXBGSVLLJY-UHFFFAOYSA-N 414.246 4.119 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587229790 CCPFHBKAVNRPSK-UXHICEINSA-N 407.514 4.178 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1ccc(Br)cc1)O2 587370045 ARSRXAHFNRQRMK-HXUWFJFHSA-N 418.287 4.455 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(Cc3cccc(C(F)(F)F)c3)nn1)O2 587381089 FHYWYEFBEWHBKK-HXUWFJFHSA-N 416.403 4.116 0 1 HIAF CCOC(=O)C[C@]1(Cc2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420488 PZMJDGDSEXNFBY-ZHRRBRCNSA-N 400.858 4.031 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1cnn4-c1cccc(C)c1C)[C@@H](C2)C3=O 587432456 OXNLCVGEYIBLCO-BVZFJXPGSA-N 400.478 4.477 0 1 HIAF COc1ccc(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1OC 587660154 OFGDZFGKMNMUJT-UHFFFAOYSA-N 418.424 4.103 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587707854 XHALUHGUDQIKGM-GSDQYQHOSA-N 420.269 4.316 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(F)CN(C(=O)OC(C)(C)C)C2)N1 587721641 PWHHZDCSYCVIHW-ZUZCIYMTSA-N 417.294 4.123 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587741460 HHEAGONWXRMMSE-GIPWTMENSA-N 421.310 4.353 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2cccnc2)N1 587756484 RPPLIGIQFHSSCX-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(Cc3ccccc3)c2)N1 587756705 FCMAZRMFXYMCID-RNODOKPDSA-N 400.295 4.457 0 1 HIAF Cc1ccc(CNC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587756914 SHHCRCTYHMTODG-QKKBWIMNSA-N 419.338 4.353 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nccn2C)(c2ccccc2)N1 587758854 YKUKFEMCDVXQOS-SPLOXXLWSA-N 414.322 4.342 0 1 HIAF CC(=O)OC[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587790710 HRWDRJCATXQUGE-ZUOKHONESA-N 406.295 4.238 0 1 HIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O 587807378 NFOQTTYSKNICMP-PRWKNARSSA-N 422.294 4.320 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)c(Br)cn1 587867073 RTKGEJHXEZQOOH-UHFFFAOYSA-N 413.197 4.428 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2c1cnn2-c1ccccc1 587871923 FGZICXSPOZJSII-UHFFFAOYSA-N 400.417 4.206 0 1 HIAF C[C@H](Oc1cccc(F)c1)[C@@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695926 CQUNGQRVXKRFKY-QCYICXJISA-N 415.358 4.265 0 1 HIAF CCOC(=O)c1ccccc1[C@H]1CCC[C@@]2(C1)NCCc1ccc(C(=O)N(C)C)cc12 962926653 SUISORRPIPROSN-FNZWTVRRSA-N 420.553 4.264 0 1 HIAF O=C1Nc2cccc(Cl)c2[C@@]12NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962961053 SFCYDAXFQCDVTB-HXUWFJFHSA-N 422.834 4.206 0 1 HIAF Clc1cc(-c2ccnc(N3CCNCC3)c2)cc(Cl)c1OCc1ccccn1 1772594142 KOWPULPIGNKVHX-UHFFFAOYSA-N 415.324 4.439 0 1 HIAF CC(C)=CCc1ccc(O)c2c1[C@H](c1cc(C)cc3c1O[C@@H](C(C)(C)O)CO3)OC2=O 2356325557 PIRIAKYXNOUWPI-XXBNENTESA-N 424.493 4.380 0 1 HIAF O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCCN2C(=O)c2cccs2)on1 61904910 FAACTIXKLRRFES-KRWDZBQOSA-N 413.474 4.173 0 3 HIAF O=c1oc(CCN2CCN(c3cccc(Cl)c3)CC2)c(-c2ccc(F)cc2)o1 1841874 UDVUOJNXUGIJJR-UHFFFAOYSA-N 402.853 4.057 0 1 HIAF Cc1ccc([C@H]2CN3C(=O)CN(CC(C)C)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2132081 YFMHJPPUYQOGSC-FQRUVTKNSA-N 415.537 4.164 0 1 HIAF biogenic CC(=O)Oc1ccc2c(c1)Oc1cc(C(C)=O)ccc1[C@@]21OC(=O)c2ccccc21 5884515 PONNIYGIVODRMG-XMMPIXPASA-N 400.386 4.383 0 1 HIAF COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(-c5nc(C)no5)c34)O[C@@H]21 13474873 LEYDLUKDXKBMCP-QHCPKHFHSA-N 402.454 4.293 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc3c(cc2C(=O)c2cccc(Cl)c2)OCO3)cc1 13530458 WCKDBYNNYWWUDD-UHFFFAOYSA-N 414.866 4.370 0 1 HIAF CCC(C)(C)C(=O)C(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)SCCCc1ccccc1 13554294 OBUILUCOHWRGAN-IPMKNSEASA-N 401.572 4.264 0 1 HIAF COc1cccc2c1-c1ccc(NS(=O)(=O)N(C)C)cc1[C@@H](c1ccccc1)O2 26172472 SDBUTPFXNGKELI-JOCHJYFZSA-N 410.495 4.062 0 1 HIAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCCC3=O)c2c1 27197941 WROOAPRIQCUPFP-UHFFFAOYSA-N 403.269 4.058 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(/C=C/C(=O)O)cc1 27878661 GHWFTDJWKGTPLF-OWSFEGEDSA-N 422.481 4.048 0 1 HIAF COc1cc2c(cc1OC)[C@H](CCN1CCN(c3cccc(Cl)c3)CC1)OCC2 27885929 QIRDDWVQKPPDJG-NRFANRHFSA-N 416.949 4.183 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)nc1)N1CCN(c2ccccc2C(F)(F)F)CC1 28115614 GFAQKBFPWFDWFU-UHFFFAOYSA-N 418.341 4.473 0 1 HIAF O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1Cn1ccc2cnccc21 28571910 XJUXLYNNCBKFAC-UHFFFAOYSA-N 412.493 4.174 0 1 HIAF CC(C)[C@@H]1C(=O)N[C@H](c2ccc(NC(=O)CCCN3CCCC3)cc2)c2ccccc21 33823697 ZNEOVOXIFNNFTO-LOSJGSFVSA-N 419.569 4.460 0 1 HIAF COc1ccc(N2C(=O)S/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1 73224286 FCYQHVBHVFLADT-DHDCSXOGSA-N 406.257 4.404 0 1 HIAF CCCCCNc1ncnc2c1nc(C(C)C)n2CCCCOC(=O)C(F)(F)F 82186826 NORBYMMPULKOCK-UHFFFAOYSA-N 415.460 4.438 0 1 HIAF COc1c2ccoc2nc2c(OC)c(OC/C=C(/C)CC[C@@H](O)C(C)(C)O)ccc12 95911839 PTGOUHPHIRZGKO-RXEWJAMOSA-N 415.486 4.235 0 1 HIAF biogenic,in-vitro CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cccc(OC[C@H]4CC4(F)F)c3)C2)cc1 142173322 ROQHMQHYQJJSJF-MAUKXSAKSA-N 416.468 4.185 0 1 HIAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC4(CCC4)Oc4ccc(F)cc43)cccc21 144399199 BRXAKPDJXFTUBN-QGZVFWFLSA-N 410.449 4.053 0 1 HIAF O=C(c1cc(-c2cccnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 144768177 UOEKVSVFNDFLPP-QFIPXVFZSA-N 410.395 4.373 0 1 HIAF O=C(O)[C@@H]1Nc2c(F)cccc2[C@@H]2[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]12 250237352 LANXXLRUWCFLPO-XBZYMBQXSA-N 422.865 4.484 0 1 HIAF COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cccs1 299876848 GIWCDOJDPKANIO-NUSXOZPMSA-N 403.500 4.153 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(OC(F)(F)F)c4[nH]3)cc12 587039672 ZYGRZZSBZXCFNE-VIFPVBQESA-N 423.420 4.209 0 1 HIAF Cc1c(Br)cnc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 587080986 WFJBSSWLPHTEFT-CYBMUJFWSA-N 404.699 4.406 0 1 HIAF Nc1cc(F)c(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1N 587135673 ARPYTODCEVZFRH-UHFFFAOYSA-N 400.049 4.058 0 1 HIAF Nc1cc(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1F 587140487 LORWZNREJWTWEZ-UHFFFAOYSA-N 416.865 4.405 0 1 HIAF N[C@H](Cc1ccc(I)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 587185172 YLLYJBXKGODGLB-GFCCVEGCSA-N 415.637 4.203 0 1 HIAF C[C@@]1(CC(=O)N2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337759 BMUWSIUSCAOIES-VWNXMTODSA-N 411.473 4.442 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1nc4cc(C(F)(F)F)ccc4n1C)[C@@H](C2)C3=O 587422580 OWKOMZRPJJRFHK-RNODOKPDSA-N 402.372 4.264 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCCCO)([C@H](C)NC(=O)OC(C)(C)C)CC2=O 587470408 MNQACCQCUIYRBT-NPMXOYFQSA-N 421.534 4.125 0 1 HIAF C=CN1CCCC[C@H]([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587591953 GSSNNTPGICDUGD-CTIGNXTNSA-N 419.477 4.275 0 1 HIAF CC[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596693 QYUVVNVCDHLOBL-QPPBQGQZSA-N 420.417 4.123 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncn2Cc2ccccc2)N1 587755735 QIYNAFTVYOMADZ-RNODOKPDSA-N 400.295 4.457 0 1 HIAF CCc1nn(CC)c2c1[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587768013 ZMXGCFKRRWFCMS-FKIZINRSSA-N 406.343 4.481 0 1 HIAF CCOC(=O)N1C=C([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 587768195 LGJDOCXEYLRIKT-HXPMCKFVSA-N 411.315 4.474 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2c[nH]c3ccccc23)(C(=O)O)N1 587808517 ZMGCIYDUGJDPHC-BIBXISHDSA-N 417.278 4.126 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C1=NCc2cnn(C(C)(C)C)c2N1 587863451 KNNXMOKGDNFWDG-UHFFFAOYSA-N 418.423 4.359 0 1 HIAF CCOC(=O)c1cc(C)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1C 587944408 GGGHIYKLMLNPJS-UHFFFAOYSA-N 401.463 4.492 0 1 HIAF O=C(CCc1ccccc1)c1nc2c(Cl)ncc(I)c2[nH]1 587953651 ORNHDPMTQFGGFJ-UHFFFAOYSA-N 411.630 4.031 0 1 HIAF CSc1ccccc1OCc1cc(C(=O)NCCN2CCCc3ccccc32)no1 12200873 PWPWXLHAYGEBSI-UHFFFAOYSA-N 423.538 4.158 0 3 HIAF O=S1(=O)c2ccc(Br)cc2O[C@@H]2CCCC[C@@H]2N1Cc1ccccc1 61924419 YOHSCQBQNBFYRY-DLBZAZTESA-N 422.344 4.344 0 3 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1OC 4204820 NPJQGKYGCVXUIF-GGAORHGYSA-N 420.465 4.095 0 1 HIAF CC(C)=CCc1c(O)c2c(c3c(=O)c(-c4ccc(O)cc4)coc13)O[C@@H](C(C)(C)O)C2 14883688 OHZLHANZWCWEIU-LJQANCHMSA-N 422.477 4.454 0 1 HIAF biogenic,in-vitro Cc1cc(SC[C@@H](O)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O 28704612 WPKVBEPEJQTIOB-AWEZNQCLSA-N 416.417 4.009 0 1 HIAF CC(C)c1ccccc1OCCN1CC[C@@H](NC(=O)c2ccc3ccccc3n2)C1 95578380 IJEBNHPCKYYWBR-HXUWFJFHSA-N 403.526 4.241 0 1 HIAF O=C(O)CCC(=O)Nc1ccc(Nc2ccccc2-c2ccccc2)c2nonc12 95594029 GPXGXEAUMQWLSL-UHFFFAOYSA-N 402.410 4.437 0 1 HIAF CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)SCCCc1ccccc1 100894616 OBUILUCOHWRGAN-FHWLQOOXSA-N 401.572 4.264 0 1 HIAF CCc1ccc([C@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1 115651420 NKXFLDPRONKJFU-RUZDIDTESA-N 400.453 4.201 0 1 HIAF CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(Nc4cccc(O)c4)c3c2)c1 143159052 LIUVILQGTPHLCP-UHFFFAOYSA-N 406.467 4.118 0 1 HIAF S=C1N[C@H]2/C(=C/c3ccc(Cl)cc3)CNC[C@@H]2[C@H](c2ccc(Cl)cc2)N1 169308436 PZPVJFQTDWDACU-UGRGGGHKSA-N 404.366 4.184 0 1 HIAF Cc1cc(-c2ccc([C@@H](C)Nc3ncc(F)c(N4CCOC4=O)n3)nc2)ccc1F 205145462 NUKCLTBGGMSGTG-CYBMUJFWSA-N 411.412 4.255 0 1 HIAF Oc1cccc([C@H](O)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 586891270 NYFUUVLIOOPMRI-ZDUSSCGKSA-N 403.154 4.011 0 1 HIAF FC(F)(F)[C@@](F)(Cl)c1nc2c(Br)cnc(Br)c2[nH]1 587089913 IQUIFFHSQREFRG-SSDOTTSWSA-N 411.378 4.406 0 1 HIAF Cc1cnc2[nH]c([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2c1 587218071 GPZHKDATTPMNAJ-KRWDZBQOSA-N 424.501 4.356 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2[C@H](CC3)CN[C@H]2C(=O)O)c1 587362813 LAAMNRAOUGYJHX-ODMCQALKSA-N 414.461 4.359 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccco1)(c1cc4ccccc4nc1C=O)[C@@H](C2)C3=O 587436581 RQJIAFSGPZCMNA-AVRWGWEMSA-N 411.413 4.340 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(OC(F)(F)F)cccc21 587464678 VXHWKYLZVDGHPY-IBGZPJMESA-N 407.344 4.056 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2ccccc2N)N1 587745691 GKAJSKFTEJSVIZ-LRTDBIEQSA-N 412.306 4.392 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)OCc2ccccc2)N1 587754869 LJYZTIRTRCMYEY-BLLLJJGKSA-N 407.283 4.090 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3cccc(CO)n3)CCC2)N1 587772875 PITGHDXVEHOGBX-LRTDBIEQSA-N 417.322 4.473 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2CCCNC2)N1 587797916 SRQVADOOVJUEIQ-SOIKWTOOSA-N 403.339 4.366 0 1 HIAF COc1ccc([C@@]2(CC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587806696 IKDVVWQPDUYBAU-FKIZINRSSA-N 406.295 4.354 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnc2onc(C)c2c1 587862394 MJMXEDLCQXPGQR-UHFFFAOYSA-N 402.332 4.111 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@]1(/C=C/N(C)C)[C@H](C)Oc1ccccc1 961319556 JATCHIPMBQSKJN-HABAYDCWSA-N 424.585 4.328 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](Cc2cccc(F)c2Cl)(c2ccco2)N1 962903510 ALGCTYVFSLFJBR-KKSFZXQISA-N 403.812 4.296 0 1 HIAF CC(=O)c1ccc(NC2=C[C@@]3(C[C@H](C)C2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c23)cc1 963487213 CQFRLLJOTYFHDE-IVQABGBRSA-N 420.509 4.123 0 1 HIAF NC(=O)c1cc2c(n1Cc1ccccc1)-c1nc(Nc3ccccc3)ncc1CCC2 1772599548 LCHQFQBXXQLSHZ-UHFFFAOYSA-N 409.493 4.325 0 1 HIAF CC(=O)N=[S@@](=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(C)cc1 1911576572 NRMJIUNGTHZIEJ-GDLZYMKVSA-N 411.527 4.083 0 1 HIAF CC(C)CC(=O)OC[C@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1[C@H](O)C[C@H]1C(=O)OC[C@@H]12 2356790082 FBWLXVATYBNVBV-RMDJKJJPSA-N 420.590 4.359 0 1 HIAF Cc1ccccc1-c1nc(C[S@@](=O)CC(=O)N[C@H](C)CCc2ccccc2)c(C)o1 5058179 RGLGEVZRXTZOIY-JJCDCTGGSA-N 424.566 4.345 0 3 HIAF Cc1cccc(C)c1NC(=O)[C@@H](C1CC1)N1/C(=C2\C=CC(=O)N=C2)Nc2ccccc21 199235355 PXIHLVHXZKGGHX-KBICDOOXSA-N 412.493 4.331 0 3 HIAF C=C(C)C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@H](OC(=O)C(=C)C)[C@@]2(C)[C@@H]1C 13322661 WNVFOQLUTQMREJ-HJAREINCSA-N 400.471 4.485 0 1 HIAF biogenic NC(=O)[C@H]1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 13729566 WPMTYKBBHJCGCG-KRWDZBQOSA-N 407.341 4.297 0 1 HIAF Cc1cccc([C@@H]2SCC(=O)N2CCN2C(=O)CS[C@@H]2c2cccc(C)c2)c1 26666477 SRFUBVUBPMENPP-SZPZYZBQSA-N 412.580 4.152 0 1 HIAF CC(=O)N1[C@H]2CCC[C@@H]1C=C(CN1CCC(Nc3ccc4ccccc4n3)CC1)C2 29129585 DQQJTBKQLYIUIZ-PKTZIBPZSA-N 404.558 4.211 0 1 HIAF CNCc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1Oc1ccc(Cl)cc1 29130162 CVFUNUQUAWLUGT-UHFFFAOYSA-N 415.965 4.408 0 1 HIAF CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCCCC2)[C@H]1c1cn(C)c2ccccc12 34855267 LEAVSIGBGOQXNS-DNQXCXABSA-N 415.537 4.491 0 1 HIAF COc1cc(CCN[C@@H](C)COc2c(C)cc(Br)cc2C)ccc1O 66166923 JGNJQUMSMDDCDK-HNNXBMFYSA-N 408.336 4.380 0 1 HIAF O=C(O)CS[C@H](NCCNc1ccnc2cc(Cl)ccc12)c1ccccc1 72140814 GEDLYAZSEFSRFC-FQEVSTJZSA-N 401.919 4.406 0 1 HIAF Cc1ccc(CCNc2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)cc1 82140324 PJQFLDOKDPOVKQ-UHFFFAOYSA-N 404.489 4.482 0 1 HIAF CCCCCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O 95578338 HOLDBPMXIXHGBE-CQSZACIVSA-N 421.009 4.457 0 1 HIAF CN(C)C(=O)O[C@@H](c1cnccc1C(F)(F)F)c1c(Cl)ccc2c1OCO2 103189014 SFKCSSZCGAQQNK-AWEZNQCLSA-N 402.756 4.270 0 1 HIAF Cc1cccc(-c2[nH]c(CNc3ccc(F)c(F)c3)nc2-c2ccc3ncnn3c2)n1 113388459 KKKXDORGDHNDFG-UHFFFAOYSA-N 417.423 4.380 0 1 HIAF CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccccc3)c2)c2c(N)ncnn12 117544731 YASCKFXNGQOGHI-UHFFFAOYSA-N 414.469 4.310 0 1 HIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CCOc4c3cccc4C(F)(F)F)cc21 144310655 VICSNQLKOXCBCS-MRXNPFEDSA-N 419.403 4.260 0 1 HIAF CCOc1ccc(CCNC(=O)c2ccnn2Cc2cccc(C)c2)cc1OCC 169341574 LFMLDXFGTVWZCJ-UHFFFAOYSA-N 407.514 4.010 0 1 HIAF COc1ccc2c(c1)N(C)[C@H]1c3cc4cc(Br)ccc4n3CCN1C2=O 221966791 QGHLZVMKBYWEND-LJQANCHMSA-N 412.287 4.017 0 1 HIAF CS(=O)(=O)c1cccc(-c2cnc(N)c3c(-c4ccc(CO)cc4)csc23)c1 230565296 OZOXGERKKPDDIM-UHFFFAOYSA-N 410.520 4.108 0 1 HIAF COCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 299883946 SFZXCDVQXQADOE-LMQGHGSNSA-N 422.573 4.311 0 1 HIAF Cn1c[n+](-c2nc3ccccc3nc2N=[S@](=O)(O)c2ccccc2)c2ccccc21 524758494 NORQNKRMGYRMSM-UHFFFAOYSA-O 416.486 4.030 0 1 HIAF Cc1cc(Cl)cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 586999460 BGCJWSXNUDLYND-UHFFFAOYSA-N 420.694 4.255 0 1 HIAF COc1cc(OC)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 587018265 VBNSNRSMICFKMX-UHFFFAOYSA-N 403.467 4.995 0 1 HIAF COc1nccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587020740 FFZXYNJTVLDICS-UHFFFAOYSA-N 400.467 4.896 0 1 HIAF Clc1ccc(C2=C[C@@H](c3nc4ccc(I)cc4[nH]3)ON2)cc1 587077568 WMWVRWPTJVHXDF-HNNXBMFYSA-N 423.641 4.438 0 1 HIAF COc1ccc(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(F)c2)c(F)c1 587153384 ZGIDCJQSQMDACB-UHFFFAOYSA-N 404.380 4.159 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Br)cnc4[nH]3)c2)c1 587232674 YZGTXLCCZPCIED-UHFFFAOYSA-N 421.298 4.338 0 1 HIAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587246672 FAJDMDQIFVNKIN-UHFFFAOYSA-N 405.479 4.276 0 1 HIAF COC(=O)c1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2c(F)c1Nc1ccccc1 587248483 QUKUGVUHBXYQDQ-UHFFFAOYSA-N 420.400 4.180 0 1 HIAF CCOC(=O)C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338947 PAYHYIMIOUVRDB-LADGPHEKSA-N 421.424 4.134 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@H](C(=O)O)c3ccccc3)cc1)O2 587399334 IHIANVOTORPUGR-YADHBBJMSA-N 403.434 4.488 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CN4CCC(C)CC4)c1)[C@@H](C2)C3=O 587435262 DYYCZYCQHXCCHY-CPJSRVTESA-N 407.510 4.424 0 1 HIAF C[C@]1(c2cccc(N3CCC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583321 RPYYZPBZBSIAQI-ZJSXRUAMSA-N 401.418 4.006 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccn2)N1 587676698 FMAIFFFAHOOGME-ANRSDYALSA-N 400.089 4.369 0 1 HIAF COc1ccc2[nH]c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587775802 ADLIMZSYRPJRRL-APBUJDDRSA-N 417.278 4.062 0 1 HIAF CCCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587793691 KGNUCEAIQIAFSP-YBTHPKLGSA-N 403.295 4.271 0 1 HIAF COc1cc(OC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587804034 ABRJGZGOZSZXPE-DGIBIBHMSA-N 410.283 4.238 0 1 HIAF COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(O)c1OC 587805285 FKNAELBROAJTFW-DGIBIBHMSA-N 410.283 4.109 0 1 HIAF COc1cccc(C2(c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)CCCC2)c1 587933914 ZWAITKGBQJIGPA-UHFFFAOYSA-N 415.497 4.491 0 1 HIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587934688 DUMHHKZEYLKBFW-QFIPXVFZSA-N 421.522 4.002 0 1 HIAF CO[C@H](C)COC1CCC(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 587951229 GFIKKUCUGMBPBW-KPPDAEKUSA-N 402.720 4.452 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(CO)N(c3ccc(F)cc3)C=C2OC)N1 962951627 OLCCSRLGUFABCP-GKVSMKOHSA-N 419.500 4.311 0 1 HIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(F)c(OC3CCC3)c2)N1 962956010 AWWCZPYMNKRXNJ-HNAYVOBHSA-N 411.807 4.377 0 1 HIAF CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)c2c(F)cccc2C[C@@H]2CCCN21 963113797 ZUIJVVBCEVFVHJ-NBGIEHNGSA-N 409.501 4.229 0 1 HIAF Cc1ccnc([C@@]2(c3cc(C)ccc3C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963221858 FWCMEKUWAFGCSB-SQHAQQRYSA-N 423.516 4.446 0 1 HIAF CC(C)(CN1CCOCC1)[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963819886 YEGLIFLHXUBSNP-RUZDIDTESA-N 419.569 4.292 0 1 HIAF CSC1CCN(c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)CC1 1772586730 NEKAYHLZRDHREW-CQSZACIVSA-N 410.547 4.172 0 1 HIAF CNC(=O)c1cc(Oc2ccc([C@H]3CC(c4ccc(Cl)cc4)=NN3)cc2)ccn1 1857757368 VMLBFLIQTBJGMA-HXUWFJFHSA-N 406.873 4.326 0 1 HIAF CC(C)(C)NC(=O)[C@H](c1ccccc1)n1c(=O)c(-c2ccco2)nc2ccccc21 95571572 HMVLVYFZIZMULB-NRFANRHFSA-N 401.466 4.161 0 3 HIAF CN(C(=O)CO)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Cl)c2)o1 13490400 UDJQZKOQRHRHER-UHFFFAOYSA-N 424.844 4.349 0 1 HIAF CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc3ccccc23)C1=O 15953813 BZIULAGLCSWNGD-ZEQKJWHPSA-N 423.516 4.416 0 1 HIAF biogenic O[C@@H]1CCCCC[C@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22927567 RVUQSGISTJEQPF-IZZNHLLZSA-N 422.613 4.351 0 1 HIAF COc1ccc(C2=NN(CCCCCCN(C)C)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26507444 ODTMPGUGTQXMBN-UXHICEINSA-N 415.578 4.179 0 1 HIAF CCN(C)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccc(F)cc1 82141742 ZCEOQDWGCKCEHE-UHFFFAOYSA-N 408.477 4.038 0 1 HIAF CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1Cl)S(C)(=O)=O 95561099 YZSQLLJRMXUHCE-HNNXBMFYSA-N 401.315 4.177 0 1 HIAF CC(=O)OC[C@@]1(c2ccccc2)C[C@H]1CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 100928152 OHPDVFPNOSPJJV-NGFIMTJFSA-N 419.565 4.437 0 1 HIAF C[C@](O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1)C1CC1 103247944 BXGFSSIWENBFKG-QFIPXVFZSA-N 400.906 4.082 0 1 HIAF Fc1ccc(COc2cn3c(-c4ccc(OC(F)F)cc4)nnc3cn2)cc1F 103303357 PPYIQNQWTQZDBZ-UHFFFAOYSA-N 404.323 4.250 0 1 HIAF Cc1cccc(-n2nc(NC(=O)[C@H]3CNC(=O)C3)cc2-c2cccc(C(C)(C)C)c2)c1 169707066 GZMCHCADLWEGHP-GOSISDBHSA-N 416.525 4.220 0 1 HIAF CCOc1ccc(-c2ccc(CNS(=O)(=O)c3cc4ccccc4[nH]3)cc2)cn1 203657899 VVQJQEBBKVXMEL-UHFFFAOYSA-N 407.495 4.107 0 1 HIAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccc(C(=O)O)cc3)nn3ccnc23)n1 207348157 JKKPLFZFANAECJ-HNNXBMFYSA-N 414.469 4.222 0 1 HIAF Cc1nccc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc12 586967970 HZQITFVAWDSBGF-KBPBESRZSA-N 420.542 4.115 0 1 HIAF Cc1ccnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc12 586970026 SINMYIRISAJXSL-GASCZTMLSA-N 420.542 4.115 0 1 HIAF Cc1c(Br)ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 587039275 SDDNCEDPHZIIRI-UHFFFAOYSA-N 410.297 4.499 0 1 HIAF Fc1c(F)c(F)c(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(F)c1F 587134246 KXSFRTIRJGCGDC-DUXPYHPUSA-N 409.358 4.261 0 1 HIAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(N)c(N)cc3[nH]2)c1C 587166044 RANUZKKCMPPIPV-UHFFFAOYSA-N 421.476 4.063 0 1 HIAF CC(=O)Nc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576768 IARJQTVUACCDIC-URXFXBBRSA-N 401.418 4.154 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)c(Br)c2)N1 587675918 BLNCZDDBTQISDE-JKYUHCHBSA-N 416.088 4.075 0 1 HIAF COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587807345 NCWNYPGDSAZKFD-APBUJDDRSA-N 410.283 4.238 0 1 HIAF CCOC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc1C 587826601 FMMTVRPFYZZZNM-GIGQVBGESA-N 410.283 4.464 0 1 HIAF O=C1N(Cc2ccc3c(c2)OCO3)c2ccccc2[C@]12Nc1ccccc1-n1cccc12 653693448 QQBJNIDUBLPZIV-AREMUKBSSA-N 421.456 4.422 0 1 HIAF C[C@@]1(c2ccc(-n3cccc3)cc2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962716243 WIUQLCSOMJEUGT-FPOVZHCZSA-N 418.390 4.498 0 1 HIAF CC1(NC(=O)OC(C)(C)C)CC2(C1)c1cccc(F)c1CCN2[C@H]1CCSC1 962722148 ZCFQAVVMUKAQOC-NYMDZQDESA-N 406.567 4.462 0 1 HIAF CC(C)(C)OC(=O)N1[C@@H](c2ccc3ncsc3c2)c2scnc2C[C@@H]1C(=O)O 963152463 VNCGUZAYZFITBQ-HIFRSBDPSA-N 417.512 4.089 0 1 HIAF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3cccc(Cl)n3)CC1)C2 1139549902 NQXMJGWHWLUOTH-QGZVFWFLSA-N 414.933 4.410 0 1 HIAF COc1nc(C(=O)[C@H]2C[C@H]2C(=O)O)ncc1N(CC1CC1)c1cccc2ccccc12 1772616351 QYPOYXFLLPVCEL-ZWKOTPCHSA-N 417.465 4.090 0 1 HIAF Oc1nc(CCCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccsc12 1857604612 LALWPGAEPPZUHO-UHFFFAOYSA-N 402.951 4.195 0 1 HIAF COc1cc([C@@H]2OC[C@H]3[C@@H]2CC[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 2356470599 HERNELJRDZIRJX-RUGILSMQSA-N 416.470 4.014 0 1 HIAF O=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(C(=O)O)cc1OC(F)(F)F 3818706 AGGUDLZHQHDPHV-UHFFFAOYSA-N 420.702 4.038 0 1 HIAF CCO[C@@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c(O)ccc5c4[C@]13CCN(C)[C@@H]2C5 3823671 SHXTYPBRXDOEOV-IFKAHUTRSA-N 416.521 4.011 0 1 HIAF O=C1c2ccccc2N(Cc2cccc(Cl)c2)S(=O)(=O)N1Cc1ccccc1 6579787 OUDNGKMCJMLYJV-UHFFFAOYSA-N 412.898 4.247 0 1 HIAF CS(=O)(=O)c1ccc(-c2cnc(C(=O)c3ccccc3)n2-c2ccc(F)cc2)cc1 13525128 PFDLSVYYAZJPGK-UHFFFAOYSA-N 420.465 4.313 0 1 HIAF C[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc21 14962421 KMCCWLYZWXETDV-BEFAXECRSA-N 412.493 4.234 0 1 HIAF COc1ccc2c(OC)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc2c1C 28868733 HNZLCPCSGIHHLT-UHFFFAOYSA-N 423.465 4.475 0 1 HIAF O=C(NC1CCN(Cc2ccc3occc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1 34636308 INKLXDAZBDXKOH-UHFFFAOYSA-N 420.440 4.073 0 1 HIAF COc1ccc(-c2ccc(S(=O)(=O)NCCc3nc4ccccc4s3)cc2)cc1 43069041 TWLSXOPOIFTPJL-UHFFFAOYSA-N 424.547 4.493 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc(-c2cccnc2)c1 53289365 FZIUEUCURKKNHE-RBBKRZOGSA-N 406.482 4.323 0 1 HIAF FC(F)(F)Oc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl 71331912 PGUHNDPJPRZDDV-UHFFFAOYSA-N 404.179 4.480 0 1 HIAF CN(C(=O)c1cc2c(s1)-c1ccc(C(N)=O)cc1OCC2)c1ccccc1Cl 72175036 ZIAMYBTXHWHKGO-UHFFFAOYSA-N 412.898 4.379 0 1 HIAF COc1cncc(N2CCC(N[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)c1 72186263 MLMCWCHHGDAHAU-HSZRJFAPSA-N 408.933 4.487 0 1 HIAF COCCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc(C)c1 82145247 VPNMZVYJVYJNII-UHFFFAOYSA-N 422.504 4.012 0 1 HIAF C/C=C/c1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 95877064 XNACUZIZQDXWGE-DDEWRGPISA-N 423.532 4.315 0 1 HIAF Nc1ccc2c(c1)[C@@H](O)[C@@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2 103232427 LNIMWHNBBWKUND-OSPHWJPCSA-N 409.505 4.415 0 1 HIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2ncccn2)c1 167118569 FXOWSSZWOAIRHF-QFBILLFUSA-N 403.482 4.271 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1cccc(C)c1 203330512 BXSOUTRFUDDJAG-FQEVSTJZSA-N 404.466 4.320 0 1 HIAF Cn1ncc2cc(-c3cccc(OC[C@@H](O)CN4CCc5ccccc5C4)c3)ccc21 219736075 HIZGCKWNKSVHDJ-DEOSSOPVSA-N 413.521 4.038 0 1 HIAF CS(=O)(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1 224555674 ZSQMAISSMYEFFW-UHFFFAOYSA-N 413.474 4.328 0 1 HIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 299883237 QZJCVURTHVIUMR-BAGYTPMASA-N 414.571 4.482 0 1 HIAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ncccc3C(F)(F)F)nn21 473106879 YQIKKSZFTKBIHM-GFCCVEGCSA-N 420.366 4.236 0 1 HIAF COc1cc(OC)c2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc2c1 587154829 SHNQKZPNMCYXGI-UHFFFAOYSA-N 421.428 4.404 0 1 HIAF COc1cc(-c2nc3cc(Br)c(C)nc3[nH]2)nn1-c1ccccc1F 587156490 ORYOZCMNSGWHNQ-UHFFFAOYSA-N 402.227 4.029 0 1 HIAF COc1cc(N)c(I)cc1-c1nc2cc(Cl)cc(C)c2[nH]1 587181282 VYITYLRAEXMKDZ-UHFFFAOYSA-N 413.646 4.387 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239431 KRIRQMMAWSSHKE-SIFORAMQSA-N 406.914 4.166 0 1 HIAF O=C(O)c1coc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356725 RAQNLCKGVJZRKG-WMZHIEFXSA-N 408.381 4.413 0 1 HIAF CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418946 FIZBUFBCNXAHAO-RDTXWAMCSA-N 418.373 4.493 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccccc1OC)([C@H]1CCCC[C@H]1C(=O)O)[C@@H](C2)C3=O 587440175 AXONLIVUGNWMDM-UMZZSBATSA-N 422.477 4.238 0 1 HIAF C[C@H](C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)NC(=O)OC(C)(C)C 587572722 QIUREONMILYSCH-ZPBXOSQXSA-N 413.470 4.416 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)nc2)N1 587681449 LBCMMSNHCHKHAQ-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncnc(Cl)c3n2C)N1 587704631 KBYWZMGDGLIFOD-GLEZIHRCSA-N 409.690 4.147 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)ccc(F)c2C(=O)O)N1 587716019 DALXEFXKKFJBGD-NTCNTBNZSA-N 414.221 4.362 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3=O)cc2)N1 587768083 SRVXIQKQWDVKQH-MPBGBICISA-N 403.295 4.339 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(O)ccc32)N1 587777405 HJUNAMGILNNNNP-PRWKNARSSA-N 405.311 4.439 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](C)C(=O)O)(c2ccccc2)N1 587830649 VSFCNPUTQFVGPT-VFGMZZLHSA-N 406.295 4.477 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C)c(C)c1C 587865917 PDFMCIXDRTZFPS-UHFFFAOYSA-N 406.408 4.430 0 1 HIAF CCOC(=O)C(C)(C)C[C@]1(c2cccc(F)c2)NCCc2c1c(C(C)C)nn2C 962921415 TUVYVILZQNGUBE-HSZRJFAPSA-N 401.526 4.051 0 1 HIAF Cc1c(C2=CCNCC2)c2ccccc2n1S(=O)(=O)c1ccc2cccnc2c1 1857550146 HGXWCCFSHHOHSI-UHFFFAOYSA-N 403.507 4.112 0 1 HIAF CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2OCC)cc1 1857775273 MSMFYOOHXUARFX-UHFFFAOYSA-N 418.298 4.370 0 1 HIAF CC1=C[C@H](CNC(=O)N2CCOCC2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356752467 RXZLOVVFNFNQRS-PWRODBHTSA-N 424.589 4.310 0 1 HIAF O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(Br)c1 704828 IREZQEIPLSGOCU-RGVLZGJSSA-N 402.273 4.352 0 1 HIAF Clc1ccc2c(c1)nc(N1CCN(Cc3ccc4c(c3)OCO4)CC1)c1cccn12 1540239 KDCOAGQKBBVYDB-UHFFFAOYSA-N 420.900 4.192 0 1 HIAF CC(C)c1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 1816237 YELGSQQDYSUPJV-XZOQPEGZSA-N 412.489 4.357 0 1 HIAF Cn1cc(-c2nc3cncnc3n(Cc3ccccc3Cl)c2=O)c2ccccc21 4239168 YKQQODPXVLDDKA-UHFFFAOYSA-N 401.857 4.047 0 1 HIAF aggregator CCC[C@H](NC(=O)[C@@H](CSC(=O)c1ccccc1)[C@H](C)c1ccccc1)C(=O)O 26017783 SJKCRFUVZBJZMH-UXPWSPDFSA-N 413.539 4.349 0 1 HIAF NC(=O)c1ccc(-c2cc(-c3ccccc3F)n(-c3ccc4c(c3)OCO4)n2)cc1 43071091 FADYWEXVZFZUIC-UHFFFAOYSA-N 401.397 4.173 0 1 HIAF O=c1cc(CN(Cc2cccc(Cl)c2)c2cnccn2)c2ccc(F)c(F)c2[nH]1 59097181 BEBSFKMNQJPMJC-UHFFFAOYSA-N 412.827 4.457 0 1 HIAF CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(N)c1 71296944 SPKNFLLCBPBCIV-UHFFFAOYSA-N 410.421 4.023 0 1 HIAF Cc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)co1 82069110 OGELPVGKWQYODJ-NRFANRHFSA-N 417.509 4.004 0 1 HIAF C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(C(F)(F)F)CC2)cc1 84671508 GTIUYPCJWSWTAF-QGZVFWFLSA-N 412.496 4.397 0 1 HIAF CCn1cc(-c2ccc(CN3C(=O)[C@](O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1 95595674 CTCPWCSJPUAEEC-FQEVSTJZSA-N 419.378 4.006 0 1 HIAF Cc1nc(N[C@@H](C)c2cccc(OCC(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 142532045 GHPHPQZKEGAMKY-ZDUSSCGKSA-N 419.510 4.099 0 1 HIAF O=C(Nc1ccnc(Br)c1)c1ccc2nc(N3CCCC3)sc2c1 169340618 PDOFBYSHRIVSDM-UHFFFAOYSA-N 403.305 4.306 0 1 HIAF COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169694938 JVBFQJWVXHSZFN-RTBURBONSA-N 411.523 4.306 0 1 HIAF CN(c1nc2ccc(F)cc2o1)[C@@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1 203541125 OYIDEBQSYWHTRK-CQSZACIVSA-N 411.408 4.139 0 1 HIAF COC(=O)C1=CCCC(C)=C[C@@H]2OC(=O)C(C)=C2C[C@H](OC(C)=O)C(C)=CCC1 253667006 JQCWXJKSJTVECI-SFTDATJTSA-N 402.487 4.116 0 1 HIAF CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 299877021 GPOBRHWJZYGGCV-QTGUNEKASA-N 422.912 4.472 0 1 HIAF Brc1cc2c(cc1/C=C/c1nc3cc4c(cc3[nH]1)OCCCO4)OCO2 586998467 KNONFBVFQORWRA-NSCUHMNNSA-N 415.243 4.386 0 1 HIAF Clc1c[nH]c2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc-2n1 587020428 ARVAGDDUYHSHRA-UHFFFAOYSA-N 405.874 4.887 0 1 HIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)c(O)c2[nH]1 587079124 GOERRVCZQSFRRK-GFCCVEGCSA-N 405.683 4.408 0 1 HIAF CCOc1cc(/C=C\c2nc3nc(Br)c[nH]c-3n2)ccc1OC(F)F 587128992 AFOGQSXNOOGCPM-XQRVVYSFSA-N 411.206 4.238 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN[C@H](C(=O)O)[C@@H]32)c1 587363698 SXWKEUQGBZRTTN-FOZYCNAUSA-N 414.461 4.359 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2N(CC(=O)O)c2ccccc21 587399045 KFJQDGOBLZZZNK-UHFFFAOYSA-N 400.434 4.022 0 1 HIAF CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431450 OTVKNCXVYHNCAB-CJAUYULYSA-N 417.461 4.347 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CC[C@H](C1)N4C(=O)OCc1ccccc1)[C@@H](C2)C3=O 587445301 UOCPKIMNLDWBNZ-NOEFBULQSA-N 419.477 4.145 0 1 HIAF C[C@@]1(CSc2nnnn2-c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532768 OIAILHKMJBQIKU-QFIPXVFZSA-N 406.511 4.057 0 1 HIAF CC(C)(C)CC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584619 ZJCQJERIAPSAFM-FQEVSTJZSA-N 409.482 4.151 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)cnc2N)N1 587710521 DIPHPQXGLPTHDF-NXSYQRQQSA-N 404.205 4.208 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCOCC3)c2)N1 587774887 QBISGVCVGTXFEI-SZNDQCEHSA-N 419.338 4.223 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2CCCNC2)N1 587790400 CRTWBUXSMPIJAF-SOIKWTOOSA-N 403.339 4.366 0 1 HIAF COC(=O)/C=C/c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587809529 ROPWABKVYOFOSI-XJZNSLKOSA-N 404.279 4.398 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2(C(=O)O)CC2)N1 587820316 BAKBNAHCALZFPW-ODXCJYRJSA-N 404.279 4.231 0 1 HIAF CCOC(=O)c1csc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587854256 SJKYBZJVLSSNML-VVVCHXIZSA-N 413.312 4.019 0 1 HIAF CC[C@@]1(c2ccc(OC)c(C)c2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962720264 TUUPLUSSCJZUDA-PXNSSMCTSA-N 411.395 4.414 0 1 HIAF COc1cccc2[nH]nc([C@@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)c12 962959712 PSABHEYYCDIQCB-LJQANCHMSA-N 417.431 4.331 0 1 HIAF C[C@]1(c2cc[nH]c3nccc2-3)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963187516 VDFURXGRUZQFHD-MAUKXSAKSA-N 409.795 4.049 0 1 HIAF COc1cc(C(=O)[C@H](CCC2CCN(Cc3ccccc3)CC2)C(C)=O)ccc1O 1772606689 ZPQHXJYZVGXXNK-JOCHJYFZSA-N 409.526 4.481 0 1 HIAF O=c1ccc2cc(-c3c(O)cc(O)c4c(=O)cc(-c5ccccc5)oc34)c(O)cc2o1 1772608375 NYTWFKOHNZPVSG-UHFFFAOYSA-N 414.369 4.350 0 1 HIAF Nc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2 1857644802 OXQYKZJSWURERH-UHFFFAOYSA-N 406.511 4.499 0 1 HIAF NC[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 1857748137 GRSKXOFKOCSQIF-ZEZQGNGESA-N 418.629 4.241 0 1 HIAF O=C(/C=C/c1ccc(O)cc1)NCCCCN=c1c2c([nH]c3ccccc13)CCCC2 1857760148 GZBKWLGZKVUVHB-DTQAZKPQSA-N 415.537 4.263 0 1 HIAF CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\c1ccccc1 1911579055 HPBNPZRYTMLVTM-NBVRZTHBSA-N 406.505 4.234 0 1 HIAF Cc1ccc2nc(C[C@@H]3CN(CCCc4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 2356743322 SSILYJNJNZSLEU-LEWJYISDSA-N 405.542 4.459 0 1 HIAF CC1=C[C@H](CNC(=O)CC(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356751055 RHESPXCWHWZSEO-BDTNDASRSA-N 413.606 4.495 0 1 HIAF COc1cccc(CN2C(=O)COCc3cc(-c4ccc5c(c4)OCO5)ccc32)c1 205207318 MCQLPJZAMZZLJV-UHFFFAOYSA-N 403.434 4.154 0 3 HIAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCC 4547946 KOLIQFZTUMHGMH-UYDNSIRXSA-N 414.590 4.353 0 1 HIAF COCCNc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br 13794850 RRDDDWWZBHATOJ-UHFFFAOYSA-N 404.312 4.068 0 1 HIAF CC(C)CC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 13836518 SREKTZDGSCHVQR-IBWPONPFSA-N 406.563 4.277 0 1 HIAF CC[C@H](C)[C@@H](/C=C/c1ccccn1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccccc1 26751340 FRCRETJNMBPBIJ-SXLUYLJNSA-N 419.569 4.363 0 1 HIAF Cc1ccccc1[C@@H](c1cccc(C)c1C)[S@@](=O)CCN1CCC[C@@H](C(=O)O)C1 28902799 SJOHLQSDIATXGF-YOZPAVSOSA-N 413.583 4.247 0 1 HIAF NC(=O)[C@@H]1CSc2c(-c3ccccc3)c(Cc3cccc4ccccc34)cc(=O)n21 29046552 BHVLFILLHAYVDP-NRFANRHFSA-N 412.514 4.391 0 1 HIAF Cc1cc(OCCCN2C[C@@H]3CCCN[C@@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49035834 VORZMLWIEYTBEN-FDDCHVKYSA-N 422.548 4.439 0 1 HIAF CCC(CC)c1nc2c(NCc3cccc(Cl)c3)ncnc2n1CCNC(C)=O 82181378 LKSYXVPLLZUEKE-UHFFFAOYSA-N 414.941 4.132 0 1 HIAF CC(C)(C)CN1C(=O)CCC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 95565876 LBZCDLFBURWNPW-AWEZNQCLSA-N 404.860 4.402 0 1 HIAF CN(C)CCCN[C@@H]1N=C2C(c3ccc(C(F)(F)F)cc3)=CNN2c2ccccc21 103150373 RCCYIQGHRGKMGQ-HXUWFJFHSA-N 415.463 4.023 0 1 HIAF CNC(=O)Cc1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1 114709700 QBSQNHHCLAYAGM-UHFFFAOYSA-N 410.543 4.452 0 1 HIAF O=C1OC[C@H](c2ccccc2)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1 116185831 STHYRCGMVLHEAF-HXUWFJFHSA-N 422.448 4.484 0 1 HIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC[C@@H](C)O)no2)cc1C#N 198817757 FBXBFQOUAAFYCM-QVKFZJNVSA-N 418.497 4.020 0 1 HIAF COc1ccccc1OCC(=O)Nc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 473086271 BJIJVVOTAGZMIK-UHFFFAOYSA-N 417.417 4.192 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)c1 587049433 JDLAUBOPXMJDHH-SREVYHEPSA-N 422.876 4.483 0 1 HIAF O=c1cccc(-c2nc3cnc(Cl)cc3[nH]2)n1CCOc1ccccc1Cl 587064152 NFAVLEXEQXDBTC-UHFFFAOYSA-N 401.253 4.172 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3ccc(Br)cc3F)nc-2[nH]1 587142624 IHAWTKDFSGMQSM-UHFFFAOYSA-N 414.238 4.191 0 1 HIAF FC(F)(F)Oc1cccc2nc(-c3cncc(I)c3)[nH]c12 587184230 GCQIXGANIGTHDR-UHFFFAOYSA-N 405.117 4.128 0 1 HIAF CC[C@@H](c1nc2ccc(Cl)cc2[nH]1)n1cc(I)c(C)n1 587186429 WIFCZNAEADYZJI-ZDUSSCGKSA-N 400.651 4.325 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349976 JJXNMZYSGIXADE-NOZRDPDXSA-N 420.436 4.435 0 1 HIAF C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587444455 PYOGFJDMYIXNDM-LZCXECNNSA-N 417.505 4.419 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccc4c1N(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O 587444462 QBFHQGGHJYEMBW-HTAPYJJXSA-N 407.466 4.482 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1Cc1ccc([C@@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587446243 BFQKLYWOWBBNHL-KQZZSUENSA-N 406.478 4.412 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2CCN(CC2)[C@@H]1Cc1ccccc1OC 587480026 BRBAGOLUULARBB-RSXGOPAZSA-N 421.537 4.394 0 1 HIAF CCCc1c(O)ccc2c1OC1(CCN(c3nc(Cl)c(C=O)s3)CC1)CC2=O 587495875 VDHXOFAWBRJXEE-UHFFFAOYSA-N 420.918 4.272 0 1 HIAF CCCNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531164 GEUZKFIASAQYDL-QHCPKHFHSA-N 413.539 4.134 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2cc(F)ccc2c1=O 587572993 UIKMASFQQOGVRV-XXBNENTESA-N 404.349 4.341 0 1 HIAF C[C@H](CC(=O)O)[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574061 YLZUQTWAVYIRMR-QIAKTKIMSA-N 422.408 4.499 0 1 HIAF O=C(O)CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587596783 OUMSQUINSSDZIC-ZJSXRUAMSA-N 420.417 4.339 0 1 HIAF CC(C)(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587598914 YWXYHYKIJHKOSA-CJFMBICVSA-N 415.445 4.499 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2-n2cncn2)N1 587699311 SBYRUHVBPPVJSD-XTZNXHDOSA-N 421.701 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c3nc(O)ccc23)N1 587779046 PUDLJSIWMHSQCQ-WVDJIFEKSA-N 417.278 4.345 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cscn3)CC2)N1 587853013 KHCQQBIKVJODNU-LBPRGKRZSA-N 410.356 4.070 0 1 HIAF O=C(O)/C(O)=C/[C@H](O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 653838500 GEFQRAXWKSPHSD-URBQWANRSA-N 421.965 4.432 0 1 HIAF CCOc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(OCC)c1 962983669 ZBACSTQWTDVXDZ-DNVCBOLYSA-N 411.832 4.104 0 1 HIAF C[C@@]1(Cn2ccc(=O)c3ccccc32)c2ccsc2CCN1Cc1cccnc1 962993571 JVQJKCFJTQCXTM-XMMPIXPASA-N 401.535 4.432 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)c2cccc(Br)c2CCN1C 963271113 SFVVPDYQCNIZGK-LJQANCHMSA-N 410.258 4.022 0 1 HIAF O=c1c2cccc(-c3ccc(OC(F)(F)F)cc3)c2ncn1CCCn1ccnc1 1772583769 JDWJSQKHZCPRAG-UHFFFAOYSA-N 414.387 4.249 0 1 HIAF CC(=O)O[C@@H]1CC=C(C)[C@@H]2Cc3c(C)coc3C=C(C)CC(=O)[C@H](OC(C)=O)[C@]21C 2356649533 PJVNNUMZLXDJCQ-GMHONNGPSA-N 414.498 4.343 0 1 HIAF C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)c2cc3sccc3n2C)C1 4101438 RGDVXUUUSIMRPJ-IEBWSBKVSA-N 423.582 4.230 0 3 HIAF Cc1cc(CNC(=O)[C@@]2(C(F)(F)F)C/C(=C\Cc3ccccc3)CCCO2)nn1C 13829108 KJCJXCNOWSFGIN-PETIARSGSA-N 421.463 4.015 0 3 HIAF O=C(NCc1cccnc1)c1cc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2)on1 61897894 UXSMHDPZZWOCQD-LJQANCHMSA-N 424.888 4.020 0 3 HIAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F)N1CCOCC1 772287 JTDPTQRHMFDLDJ-HKUYNNGSSA-N 423.271 4.083 0 1 HIAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](C)C(C)C)c(OC)c1OC 775943 UBPPUJFETONWAG-CYBMUJFWSA-N 404.507 4.439 0 1 HIAF COCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3cccc(Cl)c3)nc21 4238331 VQRKNRSPFPTZQW-UHFFFAOYSA-N 414.874 4.007 0 1 HIAF COc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)c1 12355093 GIPCBGDQVGKMPO-UHFFFAOYSA-N 405.542 4.301 0 1 HIAF in-vivo CCOC(=O)N1CCN(C2=Nc3cc(F)ccc3Nc3sc(CC)cc32)CC1 28005787 HHPKYVWRJSKFCM-UHFFFAOYSA-N 402.495 4.359 0 1 HIAF O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2cccc(-c3nnn[nH]3)n2)o1 29136246 XLRBLRVHHMWTKC-UHFFFAOYSA-N 422.448 4.399 0 1 HIAF CC(C)NC[C@H](O)COc1ccc(CC(=O)O[C@@H]2C[C@@H](C(C)C)C[C@@H](C)[C@@H]2C)cc1 29401031 XDTTWGPDHGKGPK-CAUDYKQKSA-N 419.606 4.217 0 1 HIAF NC(=O)c1cccc2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 40413053 OGWLBFFDIVAFSR-IBGZPJMESA-N 421.516 4.197 0 1 HIAF in-vitro CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 71329743 AHUKDBFUVJNLJK-GPUOULLFSA-N 401.510 4.439 0 1 HIAF COc1cc(-c2nc(N3CCCCC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC 82167048 VZVBHEWKSWQDRL-UHFFFAOYSA-N 424.501 4.432 0 1 HIAF COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1C 95592062 XFIMTFTVMLQKMX-UHFFFAOYSA-N 413.481 4.120 0 1 HIAF O=c1[nH]c2ccccc2n1C1CCN(C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)CC1 95598302 OTRVJNOKJPZDCM-AIZNXBIQSA-N 416.569 4.162 0 1 HIAF COc1ccccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](NC(=O)C=C(C)C)CC1 100764821 XWMBKNKEKPQNSA-WVPZODRTSA-N 420.553 4.388 0 1 HIAF CCCC[C@@]12C[C@@]1(C(=O)Nc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc12 101049411 WTKWKSURDRXGQX-FCHUYYIVSA-N 412.873 4.447 0 1 HIAF CN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)Cc1ccc(Cl)cc1 149185659 FVLUWMHVUGCKAU-NRFANRHFSA-N 405.325 4.186 0 1 HIAF C[C@]1(O)C[C@@H](c2nc(-c3ccc([C@H](N=O)c4ccccc4)cc3)c3c(N)nccn32)C1 169694154 DLCLDCZVAFNMKR-IECBHUPTSA-N 413.481 4.463 0 1 HIAF O=C1c2cc(-c3ccc(CC(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1 206191056 SWBURNZMILBBGD-UHFFFAOYSA-N 413.399 4.283 0 1 HIAF O=C(c1cccnn1)N1CCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C1 206196239 OAXHGJMRCNXHQD-UHFFFAOYSA-N 415.371 4.077 0 1 HIAF Cn1cc2cc(-c3cccc(OC[C@H](O)CN4CCc5ccccc5C4)c3)ccc2n1 219726675 RJOCEZNWLGCLIW-XMMPIXPASA-N 413.521 4.038 0 1 HIAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3nc(Br)ccc3Cl)nc1-2 587005089 MMXNOXAFSPMSSB-UHFFFAOYSA-N 412.984 4.455 0 1 HIAF Cc1ccc2c3c(cc(-c4cccc(S(N)(=O)=O)c4)nc13)-c1ccccc1C2=O 587101423 GHEVZFYWSLFTSD-UHFFFAOYSA-N 400.459 4.069 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Br)ncc4[nH]3)c2)c1 587231414 ANZXKEPQMAICSR-UHFFFAOYSA-N 421.298 4.338 0 1 HIAF COc1ccc(N)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1OC 587332301 FXSIVEBBTFYQQM-YKSBVNFPSA-N 423.440 4.405 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CC[C@@]14CCN(C(=O)OCc1ccccc1)C4)[C@@H](C2)C3=O 587445340 VLUFTFLNGZOYPM-LQGLAIQGSA-N 419.477 4.004 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(/C=C/C(=O)O)=COc2ccc(F)cc21 587472652 TXCQCGBTGSGARS-UZHKBWCJSA-N 410.397 4.262 0 1 HIAF O=C1C[C@@H](c2cccn2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 587532949 QNHPDWICUKJRAJ-QFIPXVFZSA-N 407.491 4.310 0 1 HIAF C[C@]1(c2cc(Cl)cnc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551809 KBIWCEUNZSZTTQ-HRAATJIYSA-N 411.797 4.016 0 1 HIAF COC(=O)C1C[C@@H]2CCC[C@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597605 ZLIXVTBHSUSGJW-RNIDZQRWSA-N 408.450 4.092 0 1 HIAF CCCCNC(=S)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587670784 SAMIJYJIEHVQJG-UHFFFAOYSA-N 424.570 4.138 0 1 HIAF COc1ccc(-n2cccn2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587761424 UGIRJQRFRCRHNK-MPBGBICISA-N 416.294 4.406 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)N3CCc4cccc2c43)N1 587792535 ORBWFFPVBKAECD-XUSGNXJCSA-N 415.306 4.049 0 1 HIAF COc1cc(OC)c2c(c1)OCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587831749 AAUWALJHLUPTGU-YBTHPKLGSA-N 422.294 4.166 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccncc2)[nH]n1 587863527 MUAZNUVHLXGIRJ-UHFFFAOYSA-N 413.359 4.051 0 1 HIAF CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618861 DZVQFGSBDOJQAX-ADSMNUKGSA-N 411.542 4.217 0 1 HIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@]34CCN3Cc5ccccc5N[C@H]34)C2)cc1 962648686 XZKPUWSAVJVHPG-RYRVMRHHSA-N 422.576 4.286 0 1 HIAF COc1cccc2cc3c(nc12)[C@@H](c1cc(=O)c(OCc2ccccc2)co1)NCC3 963060316 SFISHOALAPJHLI-RUZDIDTESA-N 414.461 4.011 0 1 HIAF Cc1ccc(S(=O)(=O)n2cccc2[C@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1 963108543 XWLGMPYDWOTTBF-AUSIDOKSSA-N 410.514 4.283 0 1 HIAF COC(=O)c1sc2ncc([C@H]3N[C@@H](C)Cc4c(OC)ccc(OC)c43)cc2c1C 963635130 LMQJUMOJMLEHKF-JEOXALJRSA-N 412.511 4.032 0 1 HIAF CC1=CC=C2C=CC(C)=C(C)C[C@@H](C)C(=O)[C@H](C(=O)O)[C@@]3(C)OC(=C1O2)C(O)=C3O 2356617059 PBKVAXUNUBEUPO-GTAYFMOCSA-N 414.454 4.377 0 1 HIAF CC1(C)CN(c2ccc(Br)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 61923217 ZGMWEIFRBMAEHE-QGZVFWFLSA-N 401.304 4.467 0 3 HIAF O[C@H]1C[C@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@@H]1n1cc(C2CC2)nn1 61923668 YZURTNKNJIUDGQ-HKBOAZHASA-N 414.962 4.420 0 3 HIAF CS(=O)(=O)Nc1cccc(-c2nc(NCc3ccccc3)c3ccccc3n2)c1 4257376 NSGBORVYWHXPRH-UHFFFAOYSA-N 404.495 4.280 0 1 HIAF O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2 13560184 QVAVHYHWALAFMY-UHFFFAOYSA-N 408.373 4.422 0 1 HIAF COC(=O)[C@@H](c1ccc(OC)c(OC)c1)[C@H]1c2ccccc2C=C(C)N1C(=O)OC 13815296 RUBBAQAIHUWYNP-LEWJYISDSA-N 411.454 4.145 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)cc2C)[C@@H]1Oc1ccc(C(=O)O)cc1 27212027 QBCDQVGDIQGNIK-JOCHJYFZSA-N 424.497 4.265 0 1 HIAF Cc1c(N2CC(O)=NS2(=O)=O)csc1-c1cccc(NC2CCCCC2)c1 28886839 CONWYTIROGILMP-UHFFFAOYSA-N 405.545 4.489 0 1 HIAF CC1CCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4cccs4)cc3)n2)CC1 40568412 LJEHNFJMKMQVAH-UHFFFAOYSA-N 423.538 4.134 0 1 HIAF CS(=O)(=O)Nc1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1 43205713 IQTSERMRWSERDI-UHFFFAOYSA-N 424.404 4.157 0 1 HIAF COC(=O)C[C@@H]1c2ccccc2C=C(C=Cc2ccc3c(c2)OCO3)N1C(=O)OC 73044081 BADWNVHEGXMHGT-LJQANCHMSA-N 407.422 4.156 0 1 HIAF OC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN21 95873444 DKXOAUTXQRCGFG-KWXIBIRDSA-N 413.565 4.173 0 1 HIAF O=C(O)C1=C(O)[C@H](c2ccco2)CC(Cc2cc(C(=O)O)c(O)c(-c3ccco3)c2)=C1 101089186 IOBJYZGCWKFCMO-HNNXBMFYSA-N 422.389 4.497 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1ccc2c(C)cc(=O)oc2c1C(C)=O 103179916 AWINAZZTMSETHB-CPNJWEJPSA-N 422.433 4.043 0 1 HIAF COCCN1CCN([C@H](CN2CCC(C3CCCCC3)CC2)c2ccccc2)CC1 116238348 KUYOCYKRUIMVGG-AREMUKBSSA-N 413.650 4.284 0 1 HIAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(C(F)(F)F)cc4)ccc31)[C@@H]1CC[C@H](C2)N1 116588273 VZUXJXGRENJAPJ-DYVFJYSZSA-N 420.456 4.379 0 1 HIAF COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c(OC)n1 117421820 WAFFQZCZXMMOJZ-UHFFFAOYSA-N 409.877 4.226 0 1 HIAF COc1ccc(-c2cc(C(N)=O)nc3cc([C@H](C)Cc4cccnc4N)ccc23)cc1 205646321 FJCKJZYQYPBUEV-OAHLLOKOSA-N 412.493 4.333 0 1 HIAF Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc2c1C 586944140 LXOPZGATQYOGTQ-UHFFFAOYSA-N 411.552 4.429 0 1 HIAF O=C(O)c1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1F 586958643 HAYIETKUXFWFGX-GDLZYMKVSA-N 408.454 4.439 0 1 HIAF O=C(O)Cc1c(-c2ccc(Cl)cn2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985436 HGJAYOKRTZTIDD-UHFFFAOYSA-N 416.820 4.494 0 1 HIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(I)cnc2[nH]1 587027199 QXDKXCGCPKMHKA-UHFFFAOYSA-N 422.251 4.178 0 1 HIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 587048167 GHQYDFKKYCVQGJ-UHFFFAOYSA-N 411.937 4.230 0 1 HIAF Cc1cc(Br)c2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 587093368 DAABYOKIFJNBTO-CQSZACIVSA-N 420.254 4.391 0 1 HIAF CC(C)(C)OC(=O)NC1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCC(=O)CC1 587234832 XHDCUEIEVBBRGY-UHFFFAOYSA-N 413.396 4.325 0 1 HIAF CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(Cl)c21 587326912 DLGNAJDSNSGZCW-WMZHIEFXSA-N 423.827 4.416 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)ccc1I)O2 587386964 NENUJZOFGIXXNR-QGZVFWFLSA-N 411.214 4.202 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccc(Br)c1)[C@@H](C2)C3=O 587420447 WRYYRIIOCPJQIF-HTCWWEMQSA-N 414.299 4.176 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cc(C)c(C(=O)O)o4)cc1)[C@@H](C2)C3=O 587451931 CCOSQNXYGWFGMD-FDDCHVKYSA-N 420.417 4.363 0 1 HIAF C[C@]1(CC(=O)NC2CCCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576689 HPZXFAOMVMCAQI-XUZZJYLKSA-N 409.482 4.342 0 1 HIAF Cc1cc(C)cc(-n2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c1 587582120 OIOGFIXXUOJJHK-XUZZJYLKSA-N 413.433 4.293 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)c(F)c(O)c(F)c2F)N1 587718869 JXZSUHXATHBVKZ-MQWCLQQTSA-N 408.164 4.474 0 1 HIAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)nn1C 587721892 RHPGMJHRDWISBP-JKYUHCHBSA-N 406.221 4.273 0 1 HIAF COc1ccc(-n2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 587756722 FDUDWYXOTFCUDH-MPBGBICISA-N 416.294 4.406 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(=O)n(C)c3ccccc23)N1 587766093 FBYKXNHGYSKCMJ-BIBXISHDSA-N 401.279 4.064 0 1 HIAF COc1cccc(/C=C/[C@@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587804374 BBQIMGLONKZPML-FRGAOCEISA-N 420.278 4.124 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cc3ccccc3o2)(C(=O)O)N1 587833767 OVWRXHIPQCSLCK-PRWKNARSSA-N 418.262 4.391 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2sccc2cn1 587869260 FRSKUPNZCCLCPL-UHFFFAOYSA-N 404.373 4.271 0 1 HIAF Cc1ccc([C@]2(COC(=O)c3ccc(O)cc3)NCCc3ccc(F)c(C)c32)cc1 962142904 HCVXOHASARAIPJ-VWLOTQADSA-N 405.469 4.394 0 1 HIAF Cc1ccc2c(c1)[C@@]1(CC(=O)O2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962645888 TVBRBPRRFHFXDX-AJTFRIOCSA-N 410.517 4.295 0 1 HIAF CCOC(=O)c1cccc([C@]2(CC)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962764289 LFQYZLSBTORJEN-RXVVDRJESA-N 405.416 4.163 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1nc3ccccc3n1Cc1ccccc1)NCC2 962932565 RLHTZURIUNCHMB-HHHXNRCGSA-N 424.548 4.196 0 1 HIAF COCCn1c([C@@H]2c3ccsc3CCN2Cc2cccnc2)nc2ccccc21 963006549 IZXCSPGMNXMMOP-QFIPXVFZSA-N 404.539 4.287 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)CC(=O)Nc1nc2ccccc2s1 963046830 LERRGIRGIZZODH-QHCPKHFHSA-N 418.522 4.243 0 1 HIAF CN1CCc2cn(C)nc2[C@]1(c1ccc(Cl)c(F)c1)c1c(N)sc2c1CCC2 963955977 UBOASYPYXUZPBZ-NRFANRHFSA-N 416.953 4.125 0 1 HIAF C[C@H]1CN(c2ccc(-n3cnc4c(-c5ccccc5)cccc4c3=O)cn2)C[C@@H](C)O1 1772655125 HRDOKBIWBHGXAJ-HDICACEKSA-N 412.493 4.061 0 1 HIAF COc1cc(C=Cc2cccc(O)c2)c2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](O)C2 2356397695 QJARFBWPVJNMLR-RDGATRHJSA-N 420.461 4.323 0 1 HIAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5ccc(-c6ccc7c(c6)OCO7)cc5c4CCN3C[C@@H]12 61924235 MMFFVBZRTWLBAA-GLYDZZHWSA-N 417.509 4.117 0 3 HIAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 775176 DCZWUGDNSOOZFF-LBPRGKRZSA-N 406.816 4.441 0 1 HIAF COc1cc(OC)cc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)c1 3817007 RCJFINNFYUNFGH-UHFFFAOYSA-N 405.285 4.176 0 1 HIAF in-vivo COc1cc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)ccc1Br 3955535 MDWCIVUFIQLXKQ-IEBWSBKVSA-N 401.348 4.383 0 1 HIAF CSc1cc2c(cc1I)N(C(=O)Nc1cccnc1)CC2 13779451 CUADVXQACYAMRE-UHFFFAOYSA-N 411.268 4.003 0 1 HIAF C=C1CCCC(C)(C)[C@@H]2CC[C@](C)([C@@H]3COC(=O)[C@H](OC(C)=O)[C@@H]3COC(C)=O)[C@@H]12 14697225 NVMIJLBYBUHQPS-ANOLWNJOSA-N 420.546 4.069 0 1 HIAF biogenic CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(Cl)ccc45)cc3c2)CC1 34804234 WJWALEMEQDWNGN-UHFFFAOYSA-N 407.905 4.029 0 1 HIAF C[C@@H]1C[C@H](n2c(=O)oc3ccccc32)CCN1C(=O)c1cc(Cl)c(N)c(Cl)c1 36286458 HXIKSCJQFMRVPJ-DGCLKSJQSA-N 420.296 4.349 0 1 HIAF O=C(O)c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n1 43201325 CJFFGATUESSIRW-LJQANCHMSA-N 423.494 4.036 0 1 HIAF O=c1c2c3c(sc2ncn1CC1CCCCC1)C[C@H](NCc1cccnc1)CC3 45320602 TUNFSKIYDJWBAM-GOSISDBHSA-N 408.571 4.080 0 1 HIAF COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2)n1 82132875 PQPDTSFIVVPQRU-BEKAIBRUSA-N 408.546 4.002 0 1 HIAF CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2CCN1CCCCC1 82196586 AEHDOQAZMWOHCW-UHFFFAOYSA-N 408.550 4.287 0 1 HIAF C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 84619470 RXKWBOUBAIJXIS-LLVKDONJSA-N 410.783 4.346 0 1 HIAF COC(OC)c1cc2c(s1)C[C@@H](OC)OC21CCN(Cc2ccccc2)CC1 84757458 OLIQTEGQVZIHIR-FQEVSTJZSA-N 403.544 4.076 0 1 HIAF CCN(CC)CCC(=O)Nc1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C 143847783 JCAZYYZYFNDZEJ-ATVHPVEESA-N 414.937 4.448 0 1 HIAF O=C(CNC(=O)C(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 169307209 MXGTVPZOWQAFSI-UHFFFAOYSA-N 401.491 4.183 0 1 HIAF CN1CCN2c3c(cccc31)[C@@H]1CCN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 169309796 ZVZSSCYKMISSIN-UNMCSNQZSA-N 407.533 4.307 0 1 HIAF Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NO)sc23)c1 219983349 CDVQNKWPHQFENU-UHFFFAOYSA-N 409.423 4.361 0 1 HIAF c1ccc(CN2CCC(N=c3[nH]c(N4CCCCC4)nc4ccsc34)CC2)cc1 473120134 BXBPBMMHPYJOMX-UHFFFAOYSA-N 407.587 4.180 0 1 HIAF O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2cc(-c3ccc(F)cc3)on2)CC1 473155081 OZLUROILPJZBQE-UHFFFAOYSA-N 422.456 4.347 0 1 HIAF N[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1 586997241 PEXXJVFXJUQPHT-LLVKDONJSA-N 400.198 4.467 0 1 HIAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccc4[nH]nc(Br)c4c3)nc1-2 587006293 DCCYNAOBQNCKKA-UHFFFAOYSA-N 417.576 4.283 0 1 HIAF Cc1c(Br)cnc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587044036 XNLAZBYYTVZJJU-GFCCVEGCSA-N 423.723 4.338 0 1 HIAF O=C(O)c1cc(F)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587116527 GEQLJGLZBKLFOH-UHFFFAOYSA-N 416.762 4.389 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c(F)c2)c1 587147761 ZKPWURIJTAMWEP-HXUWFJFHSA-N 420.400 4.467 0 1 HIAF CCCCOc1cc2nc(-c3cnc(N(C)C)nc3C)[nH]c2cc1Br 587195254 SJTXLFABQSEXJR-UHFFFAOYSA-N 404.312 4.336 0 1 HIAF CCOC(=O)Cc1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 587201046 FHBRQWVQIHQLSN-UHFFFAOYSA-N 403.523 4.249 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 587230899 JQTDGIGEWBQKMG-STQMWFEESA-N 401.454 4.211 0 1 HIAF O=C(O)CC[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337652 MFRIWGBUJOAGKK-GMAHTHKFSA-N 407.397 4.046 0 1 HIAF CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587379935 YMYKJZBLLWAZOM-JTSKRJEESA-N 401.890 4.377 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccn(CC)n3)cc1)CC2=O 587474105 BCKAGRXETKGWJD-QFIPXVFZSA-N 420.465 4.487 0 1 HIAF CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587500441 OYZLJTRAZWEXJG-QGZVFWFLSA-N 406.347 4.420 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)CCC(=O)N3)N1 587798654 UYIVLSCNLMNLRG-BIBXISHDSA-N 403.295 4.271 0 1 HIAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC 587808076 ONTGZOYEFZUXGP-YPMLDQLKSA-N 410.283 4.238 0 1 HIAF Nc1ccc(-n2ccc(=O)c3c(=O)n(CC4CCCCC4)ccc32)cc1C(F)(F)F 653915620 FSODSGGJZCJMDM-UHFFFAOYSA-N 417.431 4.334 0 1 HIAF CC1CCC([C@]2(CCC(=O)O)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CC1 962982301 WXSBTNMAERRXCO-CPYFLMFZSA-N 415.864 4.104 0 1 HIAF CCCCCN1C(=O)[C@@]2(NCCc3cc4cccc(OC)c4nc32)c2ccccc21 963040467 WYQKGVJAYSQNIA-RUZDIDTESA-N 401.510 4.170 0 1 HIAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccnc(F)c2)CC1 1772577376 BWKVJMHJPJHGIU-QAQDUYKDSA-N 416.449 4.403 0 1 HIAF COc1ccc(N(Cc2ccccc2)C(=S)NCCCn2cncc2C)cc1OC 1857559447 MFAMLWZNPDJGKR-UHFFFAOYSA-N 424.570 4.180 0 1 HIAF COC(=O)/C=C/c1ccc2ncc3oc(=O)n(-c4cccc(C(F)(F)F)c4)c3c2c1 1857594972 SPDOYRYNLQXJEX-SOFGYWHQSA-N 414.339 4.337 0 1 HIAF CCN1CCC(Nc2ccc3c(c2)C(=C(c2ccccc2)c2ncc[nH]2)C(=O)N3)CC1 1857624523 PAUHYDQXWBOZBD-UHFFFAOYSA-N 413.525 4.217 0 1 HIAF COc1cc2c(c(OC)c1O)[C@H]1O[C@@H](c3cc4c(c(OC)c3-2)OCO4)[C@@H](C)[C@@H]1C 2356561128 QITMVOBKZVSKFM-XCYQNEMLSA-N 400.427 4.212 0 1 HIAF Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc2ccc(NC(=O)CCC(=O)N3CCCC3)cc12 4881800 NUUPANDCLSUIAG-ROUUACIJSA-N 422.573 4.367 0 3 HIAF COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 12507539 PCIPRUBBZSOJFK-UHFFFAOYSA-N 410.558 4.230 0 3 HIAF O=C(NC[C@@H]1OCCc2ccccc21)c1cc(COc2ccc(F)cc2Cl)on1 13636974 AEXHATDJJDNXCV-FQEVSTJZSA-N 416.836 4.090 0 3 HIAF COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3cccc(NC(C)=O)c3)cs2)cc1 61906292 JTZNFVIJHCWLTB-JOCHJYFZSA-N 409.511 4.177 0 3 HIAF COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(Cc3ccccc3C)[C@H]21 202239256 DCFYNVCSHSCULI-QHCPKHFHSA-N 414.461 4.327 0 3 HIAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 767934 YDIADUIWFSNXQL-VWNXMTODSA-N 416.477 4.112 0 1 HIAF O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccco2)[C@H]1C(=O)c1cc2ccccc2o1 2841179 DYYZEJOLMRXKMN-FCHUYYIVSA-N 413.429 4.220 0 1 HIAF CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1COc2ccccc2C1 13737087 FVLLVXYMXQHQOB-NRFANRHFSA-N 412.574 4.192 0 1 HIAF Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccnc(Cl)c2)cc1 13759014 AYAROVRXASJFBJ-UHFFFAOYSA-N 400.885 4.127 0 1 HIAF CC[C@@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@H](O)C(C)(C)O2 14585970 ULCACFIDJDAIOB-DYVFJYSZSA-N 422.477 4.469 0 1 HIAF biogenic,in-vitro CCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCn2cccn2)CC1 26570885 IAZXYDWJTAMXDZ-UHFFFAOYSA-N 402.542 4.318 0 1 HIAF Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4F)c3)c12 84727143 VJOVUJWFNANXGU-UHFFFAOYSA-N 419.416 4.123 0 1 HIAF C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@@H]2[C@@H]1CCOC1)[C@H](O)[C@@H]1OC[C@]2(C)CCC(=O)[C@@]3(C)[C@@H]12 95592820 ARKGGIVBWHHQPU-IYXWGSENSA-N 414.586 4.157 0 1 HIAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3cc(F)ccc3F)C2)N1CC1CCCC1 95665005 YAESCEHQWSPCRF-DNQXCXABSA-N 412.524 4.170 0 1 HIAF C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 96167880 KBINUWAGFNPHFU-GCJKJVERSA-N 424.437 4.370 0 1 HIAF CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2 117777532 CHZHWZAKWGFQNL-DEOSSOPVSA-N 416.481 4.263 0 1 HIAF in-vitro CN1C(=O)[C@@]2(N=C1N)c1cc(CCC3CC3)ccc1CC21CCc2ccccc2CC1 142009812 NQMFZVVRZKPLHM-MHZLTWQESA-N 413.565 4.133 0 1 HIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(OCC(F)F)c1 167124746 KYSCRMHLIVJYBV-WMLDXEAASA-N 405.441 4.457 0 1 HIAF COc1ccc(CCCCNCCOc2cc(F)cc3c2OCC[C@@H]3N=O)cc1 169715621 PPHVQMIPIXHSLV-FQEVSTJZSA-N 402.466 4.416 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC4(c5ccc(F)cc5)CC4)ncc23)ccn1 219749104 AOIJXXJKANUTGB-UHFFFAOYSA-N 402.433 4.278 0 1 HIAF CC[C@H](O)CC[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 255219363 IEUNGVZFLKERGL-YXBWQQSMSA-N 422.650 4.135 0 1 HIAF CC(=O)N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)c1ccc(Br)cc1 586986042 UWRSPLRYFQYEBK-GOSISDBHSA-N 409.287 4.294 0 1 HIAF c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1CN1CCOCC1 587017402 LAXYZEBVQFAXSU-UHFFFAOYSA-N 418.522 4.121 0 1 HIAF Clc1ccc(-c2nnc(CCc3nc4cc(Br)cnc4[nH]3)o2)cc1 587076137 JTEYYSXHZRFSLN-UHFFFAOYSA-N 404.655 4.209 0 1 HIAF Clc1ccc(C2=C[C@@H](c3nc4cccc(I)c4[nH]3)ON2)cc1 587076481 LZUCEEQXDPWMSD-AWEZNQCLSA-N 423.641 4.438 0 1 HIAF CCn1cc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587342227 MFYOGOQQRQUJFL-VJABCOIJSA-N 421.472 4.077 0 1 HIAF CCOP(=O)(OCC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587449681 QSKYORGJHRBKMC-DYESRHJHSA-N 402.383 4.075 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587726409 XFZHCNNEPBSPPJ-MPBGBICISA-N 424.285 4.377 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccncn3)s2)N1 587856159 WJDAQXUIKHEDFD-XXFAHNHDSA-N 405.296 4.125 0 1 HIAF C[C@]1(c2cc(-c3ccc(F)cc3)no2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962759519 BVWHCDAPBFJBPJ-XLIONFOSSA-N 404.363 4.390 0 1 HIAF CCc1nn(C)c(CC)c1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962952411 HMYHWJFXBRKESE-HXUWFJFHSA-N 407.480 4.305 0 1 HIAF COc1ccc([C@@]2(C)NCCc3c2sc(C)c3C)cc1I 963012730 QOYIZNDRZOWSNL-QGZVFWFLSA-N 413.324 4.387 0 1 HIAF O=S(=O)(C[C@]1(c2ccc(F)cc2)NCCc2cc(Cl)ccc21)c1ccccc1 963390031 DVFMICYZLYDBLT-JOCHJYFZSA-N 415.917 4.342 0 1 HIAF OCC1=C[C@]2(NCCc3cc(Cl)ccc32)C(OCc2ccccc2Cl)=CO1 963390655 MOKKKJPABBVLRH-OAQYLSRUSA-N 404.293 4.299 0 1 HIAF O=C1[C@@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccc(F)c(Cl)c1 1772619810 FDBBJNOKPFRGFR-QMMLZNLJSA-N 420.887 4.113 0 1 HIAF O=C(Nc1ccccc1Cl)c1c(NC(=O)C(F)(F)F)sc2c1CCOC2 1772640599 NCNUAMQSUDRAIH-UHFFFAOYSA-N 404.797 4.227 0 1 HIAF O=C(CNc1ccc2c(c1)OCO2)NC1CC2(CCCCC2)NC2(CCCCC2)C1 1857651364 ONGRFTWZBJTAHI-UHFFFAOYSA-N 413.562 4.101 0 1 HIAF Cn1cc(CN2CCOC[C@@H]2c2ncc(-c3ccc(F)cc3F)[nH]2)c2ccccc21 2356302219 OZDBZVWFOHXBTG-JOCHJYFZSA-N 408.452 4.420 0 1 HIAF COC(=O)CC[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(=O)[C@]12C 2356507317 ZNRVRJLOYAQJBW-IWSBDRGISA-N 416.558 4.162 0 1 HIAF CC=Cc1cc(OC)c(O[C@@H](C)[C@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356517305 FLBWVIKFCMUTDS-QKKBWIMNSA-N 418.486 4.264 0 1 HIAF C[C@@H]1O[C@]2(C=Cc3cccc(O)c3CO2)[C@@H](C)O[C@]12C=Cc1cccc(O)c1CO2 2356718802 GWADQOOKXMSEMY-XKFBCCIWSA-N 408.450 4.101 0 1 HIAF Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1cccc(F)c1 6807831 STMMNRSOJJKZRE-UHFFFAOYSA-N 418.472 4.362 0 1 HIAF OCCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CC1 22937855 JSBWGXQXCRYYTG-TZIWHRDSSA-N 408.439 4.031 0 1 HIAF in-vivo O=C(O)c1c(-c2ccc3c(c2)OCO3)c2ccccc2n1-c1ccc2c(c1)OCO2 26006757 ZZRSXIKVCROVPL-UHFFFAOYSA-N 401.374 4.453 0 1 HIAF CCN(CC)C(=O)c1ccc([C@@H](c2cccc(OC)c2)N2C[C@@H](C)N(C)C[C@@H]2C)cc1 26963103 SZURCNILRMZXHN-RNHFSVANSA-N 423.601 4.291 0 1 HIAF CCCc1c(COc2ccc(-c3nnn[nH]3)cc2)ccc(C(=O)c2ccccc2)c1O 28003943 LIQLBWCDNRFKEK-UHFFFAOYSA-N 414.465 4.335 0 1 HIAF O=C(Nc1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1)[C@@H]1CCCN1 29043539 PPHJGMVOOBKFEI-IBGZPJMESA-N 416.510 4.187 0 1 HIAF COc1ccccc1N1CCN(CC[C@@H](O)c2csc3ccc(F)cc23)CC1 34167408 GZKOLGKHWMYYBA-HXUWFJFHSA-N 400.519 4.295 0 1 HIAF CC[C@H](C)Cc1cccc([C@@]2(c3ccc(OC(F)F)cc3)NC(=N)N(C)C2=O)c1 35262408 QAQMQLZJRPSYPZ-RCDICMHDSA-N 401.457 4.117 0 1 HIAF Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4c(F)cccc43)CC2)CC1 40424290 QKEUCDCLCOAHSK-UHFFFAOYSA-N 422.548 4.079 0 1 HIAF O=C(Nc1ccccc1N1CCOCC1)c1ncoc1-c1ccccc1C(F)(F)F 45336222 JFHCFBNWTISKPQ-UHFFFAOYSA-N 417.387 4.449 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc(C)c1 82146679 DCOPQOIOMSXBMY-INIZCTEOSA-N 418.497 4.321 0 1 HIAF COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2ccncc2)[C@@H](CO)N3)cc1 95878157 SNPKSBNCYXQYQL-GPUOULLFSA-N 401.510 4.107 0 1 HIAF CCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc3ccccc13)C1=C(O)c3ccccc3C1=N2 103529158 QFXVTZKUYYVGPO-LJQANCHMSA-N 421.456 4.259 0 1 HIAF Cc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 116910455 WJTORBMPONUBOD-FQEVSTJZSA-N 402.372 4.112 0 1 HIAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cnn(C)c2)n1 144377182 IIRWLCWDXDXWDH-UHFFFAOYSA-N 401.445 4.493 0 1 HIAF COc1cccc(OC)c1[C@H]1SCC(=O)N1c1cc(C)c(Br)c(C)n1 169351044 CNQQWJUSWKNJCB-GOSISDBHSA-N 423.332 4.257 0 1 HIAF CCCCOC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(=O)O 218028503 HPZGJNBJLKHWTE-QGZVFWFLSA-N 424.906 4.144 0 1 HIAF CCN(CC)C(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@H]3CC[C@]12C 299821091 SLZJMEMEWDUTRZ-ZOGIJGBBSA-N 403.611 4.127 0 1 HIAF O=S(=O)(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C1CCCC1 586924055 FYOIMQGOOVTWHH-UHFFFAOYSA-N 400.344 4.458 0 1 HIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(S)nc(S)nc2[nH]1 587035044 NALAYDRZEBFDGR-JTQLQIEISA-N 415.569 4.416 0 1 HIAF Nc1ccc(-c2ccc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3c2)cc1N 587043029 XGSHIJAEBSMXJU-VXKWHMMOSA-N 401.539 4.341 0 1 HIAF COc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cc1Cl 587124160 IVIFSRFHJIQIPO-UHFFFAOYSA-N 419.812 4.462 0 1 HIAF Cc1cc(C)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587352828 YETIPJVKHCGGMC-RDPSFJRHSA-N 403.409 4.355 0 1 HIAF COCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587378142 RZPOFXDNCMTGJJ-SFHVURJKSA-N 406.276 4.071 0 1 HIAF COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O 587410999 IEMRWYGCMSKKML-JWQCQUIFSA-N 415.445 4.306 0 1 HIAF COCOc1ccc(OC)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594520 OKNUJNKBXAXZLQ-NFBKMPQASA-N 408.406 4.086 0 1 HIAF CCOC(=O)Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599662 YRXRCZUWMXATMJ-DHLKQENFSA-N 418.445 4.375 0 1 HIAF CCOC(=O)[C@@]1(CCC(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587709079 HVDKSOOEXVSDQK-PSLIRLAXSA-N 412.221 4.223 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCN(C)C)cc2)N1 587739099 FMDJHFNTMBLJTQ-ZUOKHONESA-N 407.327 4.152 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(NC(=O)OC(C)(C)C)C2)N1 587741750 IFDUBPDBQUWXRB-WVUVWOFSSA-N 413.331 4.395 0 1 HIAF CCOC(=O)/C=C/[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587796487 KQYYHKMHQIGJFW-BNWQSOIRSA-N 418.306 4.485 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587807310 MSIWQDSOMXFZAF-DGIBIBHMSA-N 408.267 4.146 0 1 HIAF CC(=O)N(c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1)C1CC1 587851887 DCGNHDKELNFQGQ-HUTHGQBESA-N 424.339 4.184 0 1 HIAF COc1ccc([C@H](c2ccccc2)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 587937137 NHLVBJVVXNVKAG-NRFANRHFSA-N 421.522 4.002 0 1 HIAF O=C(/C=C\c1cccc(O)c1)N1N=C(c2ccncc2)O[C@H]1c1c[nH]c2ccccc12 653721977 YGGZCFCZCZGCMR-HMLKYZKVSA-N 410.433 4.201 0 1 HIAF Cc1ccnc([C@]2(c3ccccc3Br)NCCc3nc4ccccn4c32)c1 962982757 KAJVYNVHCHBRST-QFIPXVFZSA-N 419.326 4.238 0 1 HIAF FC(F)(F)[C@]1(Cc2cccc(Br)c2)NCCc2nc3ccccn3c21 962988475 OMCSEXLCQCSEBK-QGZVFWFLSA-N 410.237 4.243 0 1 HIAF COc1cc2[nH]c(C(=O)O)c([C@@H]3NCCc4c(Cl)cc(Cl)cc43)c2cc1OC 963100610 BSUDSQJQJURHNW-GOSISDBHSA-N 421.280 4.425 0 1 HIAF CCOc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1OC(C)C 963233669 POLXVFAZNUCZCA-NZQKXSOJSA-N 406.482 4.109 0 1 HIAF CC=C(C)[C@@H]1C(C)=C[C@@H]2CC[C@H](OS(=O)(=O)O)[C@H](C)[C@H]2[C@H]1C=CC=CC(=O)O 2356829468 IYRMAAQKPZZPSB-HRFMKDBOSA-N 410.532 4.192 0 1 HIAF CCOc1ccc(Nc2cc(C(=O)NCCN3CCCC3)c3ccccc3n2)cc1 4910735 WLBIPVYYORRDNO-UHFFFAOYSA-N 404.514 4.203 0 1 HIAF CS(=O)(=O)c1ccc(-c2nn3c4c(cnc3c2-c2ccc(F)cc2)CCCC4)cc1 13861622 POSYADGQHFEAEP-UHFFFAOYSA-N 421.497 4.485 0 1 HIAF Nc1cc2cc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)ccc2cn1 14962617 OARXLGLBMAHALM-NRFANRHFSA-N 409.493 4.309 0 1 HIAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3ccc4ccccc4c3)c2=O)CC1 25415352 LEHZTAVXSGVLIS-XXBNENTESA-N 413.565 4.182 0 1 HIAF biogenic COc1cc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc(OC)c1OC 27330214 FADCPZVCKSMEBE-UHFFFAOYSA-N 404.418 4.257 0 1 HIAF COc1ccc([C@@H]2[C@@H](CCS(=O)(=O)c3ccccc3)C(=O)N2c2ccccc2)cc1 27863204 MDNMVLSUAGMWOK-DHIUTWEWSA-N 421.518 4.263 0 1 HIAF in-vitro O=C(c1cc2c(cc1Cl)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1 29054702 YGYOXYYVENEFEV-UHFFFAOYSA-N 421.880 4.485 0 1 HIAF O[C@@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCCc1ccc(F)cc1 36271440 DTTQTDUZOHHUFF-UBFVSLLYSA-N 405.513 4.308 0 1 HIAF CCNC(=O)c1c[nH]c(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 40567891 WPDSPFUMHULZHL-UHFFFAOYSA-N 406.873 4.047 0 1 HIAF O=C1CS[C@@H](c2c(Br)cccc2Br)N1c1nccs1 40835344 ADCGAGIPKREWPF-NSHDSACASA-N 420.151 4.447 0 1 HIAF O=c1c(CSC(=S)N2CCN(Cc3ccccc3)CC2)coc2ccccc12 43074454 HTEPDAVJXQBEIC-UHFFFAOYSA-N 410.564 4.129 0 1 HIAF O=C1CCCN1c1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1 49793237 ZICOCMKZEGRURQ-UHFFFAOYSA-N 411.449 4.337 0 1 HIAF COCCN1CCC2(CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O 64526991 BJGONMZCKQGCQD-UHFFFAOYSA-N 414.496 4.015 0 1 HIAF O=C(CCCCCNC(=O)C(F)(F)F)N1Cc2ccccc2C#Cc2ccccc21 114002690 AIUUDXJKQCJHBE-UHFFFAOYSA-N 414.427 4.172 0 1 HIAF Nc1cc(-c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)ccn1 144458655 DOBBSPBMIKHNBX-UHFFFAOYSA-N 415.407 4.457 0 1 HIAF O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1Cc2ccc(F)cc2C1 166225129 UXSQCNYVZULXEF-UHFFFAOYSA-N 400.413 4.277 0 1 HIAF O=c1n(Cc2ccccc2)c(O)c2n1[C@H](c1cccc(O)c1)c1[nH]c3ccccc3c1C2 169729724 SNNSJSABONKRQH-XMMPIXPASA-N 423.472 4.133 0 1 HIAF Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1CCCN1CCOCC1 221028365 XBMGXVCXUHQCQM-UHFFFAOYSA-N 409.452 4.098 0 1 HIAF N[C@H]1CC[C@H](Nc2nccn3c(-c4cccc(NCc5cccs5)n4)cnc23)CC1 261176543 UYVGTKUPUMGVPL-WKILWMFISA-N 419.558 4.147 0 1 HIAF Cc1ccccc1C1=Nc2nc3ccccn3c2C(=O)[C@H](COCc2ccccc2)N1 299871957 ZOPUFROLUVWWRS-FQEVSTJZSA-N 410.477 4.092 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3ccc(Br)cc31)CC2=O 587458201 HOPZGDGOMWETLH-FQEVSTJZSA-N 417.255 4.277 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cnc3ccc(Br)cn13)CC2=O 587461526 XQLIXCKOXOCTKP-KRWDZBQOSA-N 401.260 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](Cn1nc(C)cc1C)(c1cccc(N)c1)CC2=O 587477924 WBMRBOKGOMUKSV-DEOSSOPVSA-N 405.498 4.301 0 1 HIAF CCOc1ccc(-c2nn(C(=O)CCCCCO)c(=O)c3ccccc23)cc1OCC 587672383 UXJQWLFGQFJKCS-UHFFFAOYSA-N 424.497 4.054 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)c(Br)c2)N1 587676510 FBGVVHAEIUQRPE-UOWDBTKRSA-N 416.088 4.075 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(Cl)s2)N1 587849614 UMXAUXKYDIXUJT-KWKYVRJSSA-N 404.688 4.166 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C(F)F)cc1C 587861116 NRKTZTULYHTORQ-UHFFFAOYSA-N 414.334 4.360 0 1 HIAF Cc1c(F)ccc2c1[C@](C)(c1ccc(-n3ccnc3)c(Br)c1)NCC2 962089312 GMSGUXBATVNATP-FQEVSTJZSA-N 400.295 4.492 0 1 HIAF CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618868 DZVQFGSBDOJQAX-SBJAYZTMSA-N 411.542 4.217 0 1 HIAF CN1C(=O)C[C@H]2CN[C@@](C)(c3c(-c4ccccc4)nn(C)c3Cl)c3cccc1c32 963031590 REKFWUAQCNFGOT-NPMXOYFQSA-N 406.917 4.057 0 1 HIAF C[C@@H](c1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1)N1Cc2ccccc2C1=O 1857578210 RGTLXPRHGIETIV-KRWDZBQOSA-N 412.493 4.430 0 1 HIAF CCCCOc1nc(N)c2nc(OCc3ccccc3)n(Cc3ccccc3)c2n1 1857593529 IEWQIGJNZXMXMY-UHFFFAOYSA-N 403.486 4.215 0 1 HIAF CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)[C@H](O)[C@]3(C)OC(=O)[C@H](C(C)=O)[C@H]3C2=CO1 1857771586 KLSDJLUKJAUCQO-RTGWHNKHSA-N 418.917 4.337 0 1 HIAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356563919 DYDLRZYTFMJQAL-XUVXKRRUSA-N 403.530 4.180 0 1 HIAF COc1ccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cc1Cn1cncn1 12596155 HWNJOJRSDAWOAC-LJQANCHMSA-N 424.932 4.083 0 3 HIAF Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@@H]2[C@H]2CCCCC2=O)cc1 61959015 FKSYPUAAFILRMY-CCKSEMMQSA-N 415.599 4.426 0 3 HIAF CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc1 4053052 SHANLFTULBQYEI-JTHBVZDNSA-N 404.466 4.129 0 1 HIAF NC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)c2cc(-c3ccncc3)ccc2c1=O 5933225 PMHXZNGRYVAULK-UHFFFAOYSA-N 409.367 4.170 0 1 HIAF CCc1nc2c(c(=O)n(C)c(=O)n2-c2ccc(Cl)cc2Cl)n1C(CC)CC 13582775 MZQPZBSGIXROTF-UHFFFAOYSA-N 409.317 4.116 0 1 HIAF CCOCCn1c([S@@](=O)Cc2nccc(SCC)c2C)nc2ccccc21 13820834 YIGAFYBJFIMEHZ-HHHXNRCGSA-N 403.573 4.196 0 1 HIAF Nc1nc2ccc(C(=O)c3ccccc3Cl)cn2c1C(=O)c1c(F)cccc1F 14945545 AYAUBPBWQRHWHG-UHFFFAOYSA-N 411.795 4.310 0 1 HIAF COc1ccc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C(F)(F)F)c2c1F 14953933 CZSRBTBSPLWAAW-CQSZACIVSA-N 422.426 4.179 0 1 HIAF Cc1ccccc1[C@H](c1cccc(C)c1C)[S@@](=O)CCN1CCC[C@@H](C(=O)O)C1 28902804 SJOHLQSDIATXGF-LZVPSXTNSA-N 413.583 4.247 0 1 HIAF CCO[C@@H](CN[C@@H]1COc2ccccc2SC1)CSc1ccccc1OC 40423613 PSWSCRYCDNMXAA-SJORKVTESA-N 405.585 4.335 0 1 HIAF COc1cc2c(c(Cl)c1OC)CCN(C(=O)C(F)(F)F)C[C@H]2c1ccccc1 45189759 CRXZIEGLQMWDQF-HNNXBMFYSA-N 413.823 4.436 0 1 HIAF COc1cc(CC(=O)NCc2ccc(C(C)(C)C)cc2)c(Br)cc1O 64436873 YITWDJBFGQFCLG-UHFFFAOYSA-N 406.320 4.320 0 1 HIAF O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1F)N1CCCC1 82151791 BQJPJKTZGILXAX-UHFFFAOYSA-N 408.452 4.312 0 1 HIAF COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@]12CCC(=O)[C@H]3/C(=C/c1ccccc1)C2 100869198 RNXZIQREMYDCBE-DQWQVCHISA-N 415.533 4.352 0 1 HIAF Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1 141270449 SYTGZUMODGDAOP-UHFFFAOYSA-N 409.339 4.055 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1 169707034 NQRDGMBBAQMNDH-QGZVFWFLSA-N 422.916 4.220 0 1 HIAF C[C@]1(C(=O)NCc2ccc(Cl)cc2)CCN1C(=O)Cc1csc2ccccc12 204876361 ACRYAMZGHWMSRM-JOCHJYFZSA-N 412.942 4.405 0 1 HIAF O=C(c1ccc(F)c(Cl)c1Cl)N1CCc2c(ncnc2-c2cccc(F)n2)C1 225943086 JIWPDPJWVHKCTB-UHFFFAOYSA-N 421.234 4.322 0 1 HIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(CC)cc1 299881570 OEYOURCNXBLVDM-CVCGSLCWSA-N 411.498 4.265 0 1 HIAF Cc1cc2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2c(C)n1 586955568 REFAZADNODXXFI-UHFFFAOYSA-N 412.559 4.266 0 1 HIAF COc1ccc2nc(-c3nc4c(I)cccc4[nH]3)sc2c1 587034132 DKQSKQIERRYBGL-UHFFFAOYSA-N 407.236 4.453 0 1 HIAF COc1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2n1 587069691 DZQBLPXVSAWFAB-OAHLLOKOSA-N 402.882 4.428 0 1 HIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2c(Br)cnc(Cl)c2[nH]1 587174877 NFBAPZJBRDZTFV-LLVKDONJSA-N 408.662 4.237 0 1 HIAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2n1 587186264 UAOOIIVCWNYJDC-ZDUSSCGKSA-N 420.298 4.103 0 1 HIAF Ic1cnc2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)cn12 587187390 GAPGRTAZZGOUJC-UHFFFAOYSA-N 414.250 4.361 0 1 HIAF CN(C)CCOc1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587191141 LENHBCKYFDMQLP-NRFANRHFSA-N 424.545 4.460 0 1 HIAF COC(=O)[C@@H]1c2ccccc2C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348220 GTEUMXOJHRFCDI-WRALFONMSA-N 418.420 4.142 0 1 HIAF CCCCCS(=O)(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447435 ACTQFNYFSRBZCQ-GCJKJVERSA-N 400.496 4.148 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1I)CC2=O 587472008 OMCQBSJYGAFWPO-KRWDZBQOSA-N 424.234 4.361 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)OCc3ccccc3)C1)CC2=O 587473690 BKLCPFRBLBSQPU-DEOSSOPVSA-N 409.482 4.481 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H]1CN2C(=O)OCc1ccccc1 587483401 CMXHBVPPNWWNAL-ATLLOTDBSA-N 421.493 4.480 0 1 HIAF C[C@]1(CC(=O)Nc2cccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550376 AAQSXPDZIRFJGY-PGRDOPGGSA-N 424.840 4.190 0 1 HIAF Cc1cc(C)nc(SC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587608488 QZTYSLJYYHUGLX-PGRDOPGGSA-N 408.479 4.312 0 1 HIAF CCOC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc1C 587615281 GIEFJTYDRXCWRK-XXBNENTESA-N 408.406 4.347 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccc(N)cc2)N1 587747825 SBNAACFCUOFPLF-ZSEKCTLFSA-N 412.306 4.392 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C(c2cccn2C)(c2cccn2C)N1 587757979 WLDPWNXPHKTWOW-CYBMUJFWSA-N 402.311 4.091 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c3nc(O)ccc23)N1 587776462 CWNUPWABWIBWQK-SBKAZYGRSA-N 417.278 4.345 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc([C@H]3CCCCO3)o2)N1 962705525 NUACNBQDMAILNA-DAYGRLMNSA-N 413.367 4.367 0 1 HIAF Cc1ccc([C@]2(CCC(=O)O)NCC(C)(C)c3ccc4c(c32)OCO4)cc1Cl 963391445 TWIHKQGQWHYXEN-QFIPXVFZSA-N 401.890 4.366 0 1 HIAF Brc1c[nH]nc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963818976 VKLFIIDILXGZCV-NRFANRHFSA-N 423.314 4.468 0 1 HIAF O=C1[C@H](N2CC[C@H](c3ccc(O)cc3)C(F)(F)C2)CCN1Cc1ccc(Cl)cc1 1772578435 OIMXBHXLIVXEEQ-WOJBJXKFSA-N 420.887 4.271 0 1 HIAF CS(=O)(=O)Nc1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c1 1857575648 ISXQUUDKKGQQIR-UHFFFAOYSA-N 400.475 4.388 0 1 HIAF CC(C)C(=O)O[C@H]1C[C@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@]12C 2356721923 SNZFZCATEUKWED-FKIKXORVSA-N 406.563 4.275 0 1 HIAF Cc1ccc(CN2CCCC[C@@H](NC(=O)c3ccc(Br)cc3)C2=O)cc1 200052653 HODOZTLSVXZGIN-LJQANCHMSA-N 415.331 4.069 0 3 HIAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 4049445 BCIZNGDAPSYZNH-PZJWPPBQSA-N 417.912 4.029 0 1 HIAF CCNC(=S)O[C@H](CCc1ccc(C[C@H](OCC)C(=O)O)cc1)c1ccccc1 28822009 ZOHQSCNHRHDDJA-RTWAWAEBSA-N 415.555 4.304 0 1 HIAF C[C@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4C(=O)OC[C@@H]4[C@@]3(C)[C@H](O)C[C@@H]12 28969528 LXWMXTKOJPFGPW-DQMWJTJASA-N 402.575 4.098 0 1 HIAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 45256237 AOPGMOIHRUTCDZ-UHFFFAOYSA-N 417.845 4.255 0 1 HIAF CC(C)c1cccc([C@@H]2CNC[C@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49054756 BNZWVFLAIKWMBC-RBUKOAKNSA-N 409.917 4.247 0 1 HIAF CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccc(C(F)(F)F)cc1 49068359 NEWZJVWWKZRZLK-NRFANRHFSA-N 405.416 4.372 0 1 HIAF Cc1cc(OCCCN2C[C@@H]3CCN(C)[C@@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49113734 FGSBLNXBYOAEOJ-FDDCHVKYSA-N 422.548 4.391 0 1 HIAF COc1ccc([C@H](OC2CN(C(=O)N3CCCCC3)C2)c2cccnc2Cl)cc1 73258813 VUZLEXOFDZAIHV-FQEVSTJZSA-N 415.921 4.140 0 1 HIAF CCNC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1 73280877 KODZKNALZQZEBU-UHFFFAOYSA-N 400.442 4.019 0 1 HIAF CC(C)Cc1nc2c(NCc3cccc(F)c3)ncnc2n1CCc1ccccn1 82184530 CKYYXEAXWZAZFR-UHFFFAOYSA-N 404.493 4.414 0 1 HIAF O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 103226459 TTZOAQGGHNXSCB-HSZRJFAPSA-N 424.834 4.431 0 1 HIAF COc1c(C(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)oc2ccccc12 148736913 ZCFOBEAFGBAWMT-UHFFFAOYSA-N 415.449 4.206 0 1 HIAF Cn1c([C@@H]2[C@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@H]32)nc2ccccc21 150310208 HJYUNCUCFSUWLN-VABKMULXSA-N 424.460 4.287 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CCCC4)cn3)C2)cc1 169709205 NJJLVXUGJRAPNF-GAJHUEQPSA-N 409.530 4.258 0 1 HIAF CC(C)(C)C1CCN(Cc2ccc([C@H](NS(C)(=O)=O)C(F)(F)F)cc2)CC1 205100249 JGMYBNSEQGMPFA-KRWDZBQOSA-N 406.514 4.097 0 1 HIAF CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc21 299868872 SNYMPSKRLVXMEM-UHFFFAOYSA-N 411.362 4.255 0 1 HIAF CC(=O)c1c[nH]c2ccc(-c3ccncc3)cc2c1=N[C@H]1CC[C@H](CN(C)C)CC1 473197828 GFBCMBCISKULQN-XGAFWQRZSA-N 402.542 4.454 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c1 587124787 CJEHIOXKMPCHGL-MADCSZMMSA-N 413.787 4.174 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(Br)cnc2[nH]1 587166716 HFIKUJNEWAGRCU-CQSZACIVSA-N 404.243 4.229 0 1 HIAF N[C@@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1cccc2ccccc12 587258470 DAYIXAUFMIYPQT-INIZCTEOSA-N 410.271 4.419 0 1 HIAF CCn1nccc1[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338348 CGCRAHJDICLQRT-GPTCXVGRSA-N 421.472 4.077 0 1 HIAF COc1cc2c3c(c1)OC1(CCC(C(=O)O)(c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O 587421296 LTJVOFVXTHBVRI-YTZBPGPESA-N 412.869 4.431 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(C(F)(F)F)nc1)CC2=O 587464078 HYZAJMRNEGVTQG-HXUWFJFHSA-N 423.387 4.182 0 1 HIAF C[C@@]1(c2c(F)ccc(F)c2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557997 UKULSXOPYXIMDE-GCJKJVERSA-N 412.344 4.246 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN(C)C 587568367 BWWCLRTYFMMQJN-QPPBQGQZSA-N 405.450 4.165 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCn3c(O)nc4cccc2c43)N1 587777954 KEUOWCOOUDGODU-GIPWTMENSA-N 416.294 4.215 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](c2cccs2)(C2CC2)N1 962924231 OGQKPDSFXKRVQW-REWPJTCUSA-N 407.491 4.499 0 1 HIAF CCOc1ccc2nc(Cl)c([C@H]3NCCc4ccc(C(=O)N(C)C)cc43)cc2c1 962939028 YGRVBLZMPVCXPS-NRFANRHFSA-N 409.917 4.224 0 1 HIAF CC[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963021482 GGEJKBVKZWBMSE-IVCQMTBJSA-N 406.526 4.345 0 1 HIAF CC(C)(C)OC(=O)N1CC(Sc2ccc([C@@H]3NCCc4ccc(O)cc43)cc2)C1 963340331 GONSUVXIGXHGKT-NRFANRHFSA-N 412.555 4.339 0 1 HIAF CN1Cc2c(C3=CCN(CC(=O)O)CC3(C)C)[nH]c3nccc(c23)-c2cc(F)ccc21 1772630962 VMVJAORWJKMLIK-UHFFFAOYSA-N 420.488 4.129 0 1 HIAF Cc1nc(C)c(COCCc2ccc(OCc3nc(C)c(C)nc3C)cc2)nc1C 1857629356 NOGSCXDDBLOGDL-UHFFFAOYSA-N 406.530 4.455 0 1 HIAF COc1ccccc1CN1C[C@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 2356302645 KPURBMKUFMXGSH-GGAORHGYSA-N 414.505 4.264 0 1 HIAF COc1ccc(NC(=O)N2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1 1349918 QBZAATCVTGGOHX-UHFFFAOYSA-N 424.526 4.181 0 3 HIAF aggregator O=C(NCCc1cccs1)c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1 6895909 WOZPZZBCAXVGGU-AREMUKBSSA-N 407.944 4.416 0 3 HIAF COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4cnc(C)n4C)C3)cc2)c1 11816742 VHQBZODDZCAPDD-OAQYLSRUSA-N 418.541 4.255 0 3 HIAF Cc1cc(C(=O)NN2CCCCC2)nn1Cc1cc(Cl)ccc1OCC(C)C 29042855 NJTGRADPSAWKQE-UHFFFAOYSA-N 404.942 4.059 0 1 HIAF COc1cc2c(cc1OC)[C@@H](c1ccccc1N)N(CCOc1ccccc1)CC2 40892128 FSNXVFYUQDMAOC-RUZDIDTESA-N 404.510 4.313 0 1 HIAF COc1ccc(F)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1 66259740 NBAOFZNPTRSGCL-GFCCVEGCSA-N 404.463 4.146 0 1 HIAF CC(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 103663516 ICZXNFLIPWMWGQ-SFHVURJKSA-N 407.514 4.058 0 1 HIAF CN1CCC[C@H]1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 143144142 KSNJNJAIHVDJGD-IBGZPJMESA-N 417.513 4.227 0 1 HIAF NC(=O)CCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21 208474292 VRHSPERIAHGGED-QFIPXVFZSA-N 413.525 4.256 0 1 HIAF Cc1cc(C)n(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)n1 221130269 XSGRBOJGLZRZNT-FXAWDEMLSA-N 420.517 4.433 0 1 HIAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586939285 SUBYVNVFUZEKDO-OAHLLOKOSA-N 417.840 4.309 0 1 HIAF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ncncc4[nH]3)cc2)c(C)c1C 586951313 UNQVPCZOCXUCIR-UHFFFAOYSA-N 421.526 4.363 0 1 HIAF O=C(CCc1nc2cc(Cl)c(Cl)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587023766 IAFPPZJVWDUAMI-UHFFFAOYSA-N 419.297 4.355 0 1 HIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 587114113 VVCCZTXEJCUSGZ-HXUWFJFHSA-N 419.403 4.143 0 1 HIAF Fc1ccc(I)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587182395 JIYDWJQQEVGLHW-UHFFFAOYSA-N 418.112 4.295 0 1 HIAF C[C@@]1(c2cn(-c3ccccc3)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343778 VHUWNUFXAMSMTO-UPVQGACJSA-N 415.424 4.386 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCC(=O)OCC)c1)CC2=O 587485970 XRSITPVNNYOGEX-HXUWFJFHSA-N 414.454 4.002 0 1 HIAF Nc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539768 JKQZNLHAGXJAGY-PXNSSMCTSA-N 412.239 4.440 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1(C(=O)O)CC1 587612827 WSPVHNITUGIRCB-YADARESESA-N 402.402 4.114 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ncncc3Cl)c(=O)c3ccccc23)c(O)c1 587664918 HONCDYKFTCJTCN-UHFFFAOYSA-N 421.888 4.048 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)nn2C)N1 587721821 QDPVWXKUGOUDEO-AYVTZFPOSA-N 406.221 4.138 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cn3ccnc3)c2)N1 587757067 UNIHWEOECRXNGQ-ZUOKHONESA-N 400.295 4.457 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(CC(=O)OCc4ccccc4)[nH]c3c2)cc1 587781876 DXZTVDWFXMDWJN-UHFFFAOYSA-N 416.433 4.428 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ncccn3)n2)N1 587856711 YZBGBGYBWXTIEN-VFZGTOFNSA-N 405.296 4.125 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2Cl)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962629832 IJJLVZSQMANZNQ-RCDICMHDSA-N 403.906 4.040 0 1 HIAF CCc1nc2cccnc2n1Cc1ccc(/C=C/CN2CCN(C(C)C)CC2)cc1 1772594223 PEBXLIVSKIOKEF-VOTSOKGWSA-N 403.574 4.081 0 1 HIAF O=C(CCCN1C(=O)c2c(F)ccc(F)c2C1=O)Nc1ccc(-c2ccccc2)cn1 1857599778 IOVMZMZQSBZYTC-UHFFFAOYSA-N 421.403 4.042 0 1 HIAF CC(C)(C)NC(=O)N1CCC(N=c2[nH]c3ccccc3n2Cc2ccc(F)cc2)CC1 1857760422 JSZPYECDSXKHHS-UHFFFAOYSA-N 423.536 4.030 0 1 HIAF Fc1ccc(Cn2c(N3CCNCC3)nc3ccc(C(F)(F)F)cc32)cc1Cl 1857762071 WHZPSUOXBAWPGV-UHFFFAOYSA-N 412.818 4.306 0 1 HIAF COc1c2c(cc3c1-c1c(cc4c(c1O)OCO4)C[C@H](C)[C@H](C)[C@@H]3OC)OCO2 2356400520 BEXFBHJPOQKVEZ-ADWYPQAOSA-N 400.427 4.041 0 1 HIAF O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCCN2C(=O)c2ccccc2)on1 61928216 NNVXTMVVXATXCR-FQEVSTJZSA-N 407.445 4.111 0 3 HIAF CCC[C@@H]1CCC[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]1COC(=O)C(C)(C)CC 27560157 NEKAZEXAFPCIDR-WAPOTWQKSA-N 414.583 4.165 0 1 HIAF O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1 28527093 AGUZAIMBKPZTGP-UHFFFAOYSA-N 424.347 4.465 0 1 HIAF CCc1cc(COc2ccc(N3CCN([C@@H](C)C(=O)O)C3=O)cc2)c2ccccc2n1 40891945 JDBBASBPSJDEBH-INIZCTEOSA-N 419.481 4.091 0 1 HIAF COc1cc(Oc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc(OC)c1OC 40934659 ZPXHITFGWBDQMP-UHFFFAOYSA-N 418.453 4.279 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1C 71333093 KKAKZTLYKANGNB-XYJFISCASA-N 412.490 4.057 0 1 HIAF CCOC(=O)c1c(CN2CCN(C)CC2)nc2ccc(Cl)cc2c1-c1ccccc1 72113350 FMTSJDAKXOSBJL-UHFFFAOYSA-N 423.944 4.479 0 1 HIAF Cn1cc(-c2ccc(N3CCOCC3)cc2)c2sc(-c3ccncc3)cc2c1=O 72178054 WVLBSRCGDXMGGV-UHFFFAOYSA-N 403.507 4.166 0 1 HIAF COc1cc2nc(N3CCN(c4ccccc4)CC3)nc(NCC(C)C)c2cc1OC 82136520 QGXDSCNRJLYJEH-UHFFFAOYSA-N 421.545 4.042 0 1 HIAF CO[C@@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]23C)[C@H](OC)O1 96923288 LGITXCALUZAZQD-LHECGIGESA-N 424.578 4.444 0 1 HIAF COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Nc5ccc(F)cc5)C[C@@H]3N4)cc2)c1 100106897 RGFOKJSSXKXBKT-BKFWDETESA-N 417.484 4.473 0 1 HIAF NC(=O)c1cc(NCc2ncccn2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114592011 HACUGFXGKNVBSC-UHFFFAOYSA-N 415.428 4.181 0 1 HIAF CCCCCc1ccc2c(c1)[C@]1(N=C(N)N(C(C)C)C1=O)C1(CCC(OC)CC1)C2 141805804 YLEMXAHYOAGFNS-LRARRHDQSA-N 411.590 4.311 0 1 HIAF CN1C(C)(C)CC(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1(C)C 143403907 GGMOBWZNPWJEJS-UHFFFAOYSA-N 410.440 4.137 0 1 HIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3C[C@](C)(C(F)F)Oc4ccccc43)cc21 144392563 IUESJXXRANWCSQ-OPAMFIHVSA-N 415.440 4.265 0 1 HIAF CC(C)CN(Cc1ccc(-c2ccc(N)nc2)s1)S(=O)(=O)Cc1ccccc1 148826965 NQANBEUBFVYIKM-UHFFFAOYSA-N 415.584 4.380 0 1 HIAF CN1CCC(NC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CC1 223057901 FZUATRLORULVME-UHFFFAOYSA-N 407.587 4.011 0 1 HIAF Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(F)cc4)cc3)c12 299858902 FCMRBYJIHLJQSI-UHFFFAOYSA-N 405.433 4.103 0 1 HIAF Nc1ccc(-c2ccc3[nH]c(-c4cccn5c(Br)cnc45)nc3c2)cc1N 587006599 IWHVEXMKXWQNGR-UHFFFAOYSA-N 419.286 4.472 0 1 HIAF COc1nccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 587178459 BRIQUGIVWHSTNB-UHFFFAOYSA-N 419.144 4.257 0 1 HIAF COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H](N=O)C2 587331049 ACHWSUIXVFXELD-GPXNEJASSA-N 419.408 4.485 0 1 HIAF COc1ccc(OCc2nc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cs2)cc1 587450325 JHQKBGNXXXWZSK-ZHRRBRCNSA-N 409.463 4.228 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)C1CCNCC1 587569285 HIUDLALBNPCAMR-RCZVLFRGSA-N 419.452 4.388 0 1 HIAF CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598335 TXFGIDAXDQRUOA-DCLXLUIPSA-N 410.466 4.482 0 1 HIAF O=C(O)Cc1c(-c2ccc(F)c(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622954 VHSBDCBODZZAHQ-UHFFFAOYSA-N 406.186 4.379 0 1 HIAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cnn(-c2ccccc2)c1C 587631906 LSPDMQKXCZDPMF-UHFFFAOYSA-N 411.820 4.472 0 1 HIAF COC(=O)Cc1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1 587783040 DRQCSFOOHXBIMP-UHFFFAOYSA-N 424.092 4.470 0 1 HIAF CC(=O)OC12CC3C[C@@H](C1)C1(N[C@H](C)Cc4ccc(F)c(Br)c41)[C@@H](C3)C2 587807462 CNDIFPMEWXMWKZ-YOAHYVGFSA-N 422.338 4.460 0 1 HIAF COC(=O)c1cccc2c1CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587812434 ZCKPSHXVOPOVSH-GIPWTMENSA-N 404.279 4.099 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnc2n[nH]c(C)c2c1 587866244 HEBOMAAAQINTKV-UHFFFAOYSA-N 415.375 4.236 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C)c(C)c1 587867534 ILVRHFHVEIEPEN-UHFFFAOYSA-N 405.376 4.309 0 1 HIAF Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4ccc(C(=O)O)o4)CC[C@@H]32)ccc1Cl 653715013 XQSJIUXLYLOZTG-SODDHMGDSA-N 406.862 4.236 0 1 HIAF Fc1ccc(CNc2nc(NC3CCCCC3)nc3nc(-c4ccco4)nn23)cc1 653773249 MFDDHVJCVCVPIP-UHFFFAOYSA-N 407.453 4.275 0 1 HIAF CSC[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172568 DDMKMFHUCJVNMK-CMPLNLGQSA-N 407.763 4.078 0 1 HIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(-n3cnc4ccccc43)cc2)N1 963223432 ATSXKEAGBQBVIU-ILBGXUMGSA-N 420.472 4.262 0 1 HIAF CC(C)c1csc(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1 1772641714 MRIXDURRWYEMGS-OAHLLOKOSA-N 424.574 4.044 0 1 HIAF COc1cc(Nc2ncc3c(n2)N(c2ccccc2)CCO3)ccc1-n1cnc(C)c1 1857597777 WGYODUNOOJDBON-UHFFFAOYSA-N 414.469 4.253 0 1 HIAF COc1ccc([C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)c2ccno2)cc1 1857640528 JVHYBXVQYDVUSC-NRFANRHFSA-N 421.497 4.433 0 1 HIAF CN(C)c1ccc(NC(=O)N[C@@H]2CCCCN(Cc3cccc(Cl)c3)C2=O)cc1 199358648 ZNBVQOXDZRAPSK-HXUWFJFHSA-N 414.937 4.109 0 3 HIAF COc1cc(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)c(OC)c2c1OCO2 1565483 RSVWXUPJBWWEJY-UHFFFAOYSA-N 408.406 4.390 0 1 HIAF biogenic COC(=O)N1C(c2ccccc2)=Cc2ccccc2[C@H]1[C@@]1(C(=O)OC)CCCC1=O 8682188 LLDBEKZQWUMNCM-XUZZJYLKSA-N 405.450 4.220 0 1 HIAF COCc1c(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)cc(C)nc1C 13826882 NMSVIIOZSZCAID-UHFFFAOYSA-N 401.470 4.271 0 1 HIAF Cc1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)cn1-c1ccccc1 27760288 FQMQFMROIGKGDU-LKWCPCFXSA-N 409.457 4.192 0 1 HIAF in-vitro O=C(c1ccccc1)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 27866652 VLPVQRIMWYCIJC-WOJBJXKFSA-N 413.429 4.181 0 1 HIAF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CF)Cc1ccccc1 29345469 YZNUXKIBNHXFRS-SFTDATJTSA-N 400.494 4.025 0 1 HIAF O=C(c1c(Oc2ccccc2F)n(-c2ccccc2)c2cccnc12)N1CCNCC1 72183340 DXTWLJAJRHALSB-UHFFFAOYSA-N 416.456 4.002 0 1 HIAF Cc1nc2ncc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 73296996 AZYIPQZUIGVQDL-KRWDZBQOSA-N 410.493 4.152 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccc(F)cc1 82141183 SJKSXXPREMDOPF-MRXNPFEDSA-N 422.504 4.474 0 1 HIAF COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc3c(c2)OCO3)cc1)n1ccnc1C 95561639 BPYLYOAGLRACNH-OAQYLSRUSA-N 407.470 4.452 0 1 HIAF Cc1c(C(N)=O)sc2nc(SCc3ccccc3)n(-c3ccccc3)c(=O)c12 98085491 ZAOHPYOHVLVNTN-UHFFFAOYSA-N 407.520 4.147 0 1 HIAF CCn1cnc2c(Nc3cccc(C(F)(F)F)c3)nc(N[C@H]3CC[C@H](O)CC3)nc21 100821337 QYBNTDWVGSUIRZ-OTVXOJSOSA-N 420.439 4.324 0 1 HIAF CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 147945116 ABOIZKMFUAANLN-WZONZLPQSA-N 420.598 4.119 0 1 HIAF Cc1cc(Cn2nc(C)c(CC(=O)O)c2C)ccc1NC(=O)c1ccc(Cl)cc1 168919665 CQLVYMGQLDTDGA-UHFFFAOYSA-N 411.889 4.389 0 1 HIAF Cc1cc(=O)oc2cc(OCCCCCCn3cc(CN4CCCCC4)nn3)ccc12 169309590 IPLQFZQIMVWHIN-UHFFFAOYSA-N 424.545 4.318 0 1 HIAF C[C@@]1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CC=CCC1 207165529 ATXBXAASZBRHJG-OAQYLSRUSA-N 407.507 4.050 0 1 HIAF O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)Nc1ccc(Cl)cc1 299833322 KNQUJWMRPIGAKN-UHFFFAOYSA-N 403.869 4.279 0 1 HIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NCc1ccc(F)cc1 586987156 ARYFVEKJJMLWAQ-UHFFFAOYSA-N 412.420 4.150 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(-c5nnn(C)c5C(F)F)[nH]c4c3)o2)cc1 587129338 WXASDYWYGANURZ-UHFFFAOYSA-N 423.383 4.022 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cncc(Br)c2[nH]1 587166587 FCCNZYJOGVHSOV-AWEZNQCLSA-N 404.243 4.229 0 1 HIAF CC(C)(C)OC(=O)NC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332287 CZQNCCKBIQHVFH-XMSQKQJNSA-N 401.434 4.174 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c4c(c1)OCCCO4)[C@@H](C2)C3=O 587418703 UZKFMLFRMWUZDG-ORAYPTAESA-N 417.255 4.108 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)nc1Br)[C@@H](C2)C3=O 587422697 QCYBQTWRKTYMFV-BONVTDFDSA-N 414.177 4.360 0 1 HIAF CC(C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CO 587597420 UIUSEKYTDQQOCM-ZJSXRUAMSA-N 406.434 4.375 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCNCC2)N1 587795019 NFDHRYNZNZFXJX-QKKBWIMNSA-N 403.339 4.366 0 1 HIAF COc1ccc(OC)c2c1CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587807258 KLKFHVAAYWGQJM-PRWKNARSSA-N 406.295 4.329 0 1 HIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587932697 YLWLMZGUUCCXNY-QMHKHESXSA-N 401.470 4.076 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(CC(C)(C)CC(=O)O)[nH]c4c3)o2)cc1 587954950 FPPHUGLUKZHVIY-UHFFFAOYSA-N 406.442 4.332 0 1 HIAF CCn1cc(C(=O)C[C@@]2(C(F)F)c3ccsc3CCN2Cc2cccn2C)cn1 962399427 PQZNPJSMNYIGOP-NRFANRHFSA-N 418.513 4.095 0 1 HIAF CN(C)c1cccc(Cl)c1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962703980 TXQHWCQKLQBKIC-YOEHRIQHSA-N 416.802 4.252 0 1 HIAF CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)NCCc2c1c(C(C)C)nn2C 962922355 RIGHVAULRBZQIA-KRWDZBQOSA-N 407.442 4.196 0 1 HIAF CC1CCC([C@]2(CCC(=O)O)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CC1 962982303 WXSBTNMAERRXCO-HPDNPGSVSA-N 415.864 4.104 0 1 HIAF CC[C@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963610396 OZXVPXZVULQKKH-NFHUAXAMSA-N 404.551 4.243 0 1 HIAF COc1cccc([C@]2(c3cccc(C)n3)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963634611 KWCQVWHKTWXESY-SSOJOUAXSA-N 404.510 4.242 0 1 HIAF Cc1c(C(=O)Nc2c(C)n(C)n(C(C)C)c2=O)noc1[C@@H]1CCC[C@@H](C(C)(C)C)O1 1772582830 IHDWQGDZRHONMF-HOTGVXAUSA-N 418.538 4.281 0 1 HIAF O=C(c1c2c(nn1-c1ccccc1)CC[C@@H](NCc1ccccc1)C2)N1CCCCC1 1857598344 ONFVSJZWPOBFCT-OAQYLSRUSA-N 414.553 4.146 0 1 HIAF COc1cccc(CN2CC[C@]2(C)C(=O)NCc2cccc(C(F)(F)F)c2)c1OC 61906576 KUNIWBZCXZPXJD-OAQYLSRUSA-N 422.447 4.003 0 3 HIAF C[C@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 2724679 DWHUBGUDTXXJRT-HJPURHCSSA-N 404.441 4.163 0 1 HIAF CC(=O)N1C2(C=C[C@]1(C)C(=O)NCc1cc(F)cc(C(F)(F)F)c1)CCCCC2 7992750 ITQSYQDHOBJYHA-LJQANCHMSA-N 412.427 4.341 0 1 HIAF CCN1[C@@H](CNC(=O)c2cc(Cl)c(NC)cc2OC)CC[C@@H]1c1ccccc1 28235515 ZPMWZLMGOHDQOI-OXQOHEQNSA-N 401.938 4.346 0 1 HIAF O=C(O)C[C@H]1[C@H](c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)C1(Cl)Cl 28648259 DGHLGBHZIKLZQQ-HKUYNNGSSA-N 421.324 4.423 0 1 HIAF O=C(N[C@H](Cc1ccc(C(F)(F)F)cc1)c1nnn[nH]1)c1ccc2ccccc2c1 49066657 DBRCZHBYEHAPJF-GOSISDBHSA-N 411.387 4.086 0 1 HIAF O=C(Cc1cc(=O)oc2cc(O)ccc12)Nc1nc2cc(Cl)c(F)cc2s1 71331532 SEEPNBQJYSQAMI-UHFFFAOYSA-N 404.806 4.082 0 1 HIAF CN(C(=O)[C@H]1CCCc2ccccc21)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71333190 NCHMLYQLIKIWRI-NQIIRXRSSA-N 416.521 4.162 0 1 HIAF CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2)n1 82163322 UHALBCZZVFZNHE-UHFFFAOYSA-N 413.481 4.322 0 1 HIAF O=C(C1CCC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO 95875769 NPXWAHHKOIONJD-DSNGMDLFSA-N 422.544 4.044 0 1 HIAF COc1ccc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1 96284506 CIWKHKMZANVYGH-UHFFFAOYSA-N 404.514 4.241 0 1 HIAF Cc1nc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@H]2c2cccs2)sc1C 110821820 YUZMXWGVWFTQKU-ZIAGYGMSSA-N 402.522 4.039 0 1 HIAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@H](c2cccc(Cl)c2)C1 116981255 MJHHVYGUXBJBHB-ZBFHGGJFSA-N 411.937 4.439 0 1 HIAF Cc1ccnc([C@@H](O)C(F)(F)F)c1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144329664 XONWSRGXWACTJV-ZRGWGRIASA-N 419.378 4.497 0 1 HIAF CC[C@@H](C)C(=O)O[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 145379222 PCZOHLXUXFIOCF-CWRHGJNNSA-N 404.547 4.196 0 1 HIAF COc1cc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)ccc1OC[C@@H]1CCCN1 216014508 KJBFECNCTKJULO-ZDUSSCGKSA-N 400.862 4.326 0 1 HIAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H]2OC[C@@]2(CCCc2ccccc2)C[C@@H]3[C@H]1C5 253696955 AFNNIVJCAOZVSR-CKNWVHPQSA-N 417.549 4.079 0 1 HIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)C(C)C 586933601 UHGSSJBFQSVQSO-CYBMUJFWSA-N 424.311 4.020 0 1 HIAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccnc(Br)c3Cl)nc1-2 587005878 XQGIANGMQFENFU-UHFFFAOYSA-N 412.984 4.455 0 1 HIAF Cc1cc(Br)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587006813 SRQSOPCRHUCXGX-UHFFFAOYSA-N 407.069 4.106 0 1 HIAF COC(=O)c1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587116892 LVOOULRZIXOLHT-UHFFFAOYSA-N 412.799 4.338 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc4nccc(NC(=O)C(C)(C)C)c4o1)[C@@H](C2)C3=O 587433510 RNOOUZVAQSPXIH-RNODOKPDSA-N 406.438 4.310 0 1 HIAF COc1cc2c3c(c1)O[C@@H](CC1CCN(C(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587435569 GKJOOIOCZSKNNB-RTWAWAEBSA-N 421.493 4.250 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCc4ccccc4)CC14CC4)[C@@H](C2)C3=O 587445777 YCRJTQGZLPVEPW-DFBJGRDBSA-N 419.477 4.004 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)OCc2ccccc2)N1 587752248 DMWMHVNSGBFTMX-KZULUSFZSA-N 407.283 4.090 0 1 HIAF COC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587804963 GATHJGVOURNHAZ-UVARLRKDSA-N 406.295 4.175 0 1 HIAF CO[C@@H]1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 653664350 DHKQQYYRRQNKQA-LJQANCHMSA-N 408.571 4.295 0 1 HIAF COC(=O)c1ccc([C@@]2(C(F)(F)F)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962640523 WPVLQCMPPHUTOD-ASSNKEHSSA-N 423.431 4.173 0 1 HIAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c2ccccc12 962967504 NNMNQLMUOVZIKE-JXFKEZNVSA-N 403.812 4.468 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccccc1)c1ccc(OC(C)=O)cc1 963636030 OEACLVIJRRNOFR-QUGAMOGWSA-N 417.505 4.455 0 1 HIAF Cc1cccc(NC(=O)CC(=O)Nc2ccc3c(/C=C/c4ccccn4)[nH]nc3c2)c1 1857576802 JHAWNFKVMKJFJZ-PKNBQFBNSA-N 411.465 4.404 0 1 HIAF CCOCCCNC(=O)c1csc(=Nc2cc(Cl)c(Cl)c(Cl)c2)[nH]1 1857592152 OOFFODHGLGYOQS-UHFFFAOYSA-N 408.738 4.425 0 1 HIAF C[C@]1(c2ccc(Br)cc2)CCN(CC(=O)c2ccc(F)cc2F)C1=O 1857741911 LNAVWIPLRWUOBP-LJQANCHMSA-N 408.242 4.100 0 1 HIAF Cn1c(=O)c2cc(NC(=O)Cc3ccccc3F)ccc2n1Cc1ccc(Cl)cc1 61906860 SMFVOOVUSAQHQC-UHFFFAOYSA-N 423.875 4.362 0 3 HIAF C[C@@]1(C(=O)NCc2cccc(OC(F)(F)F)c2)CON=C1c1ccc(Cl)cc1 768968 YHCYWYLZLGWCDI-GOSISDBHSA-N 412.795 4.296 0 1 HIAF C[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 2724680 DWHUBGUDTXXJRT-MWTRTKDXSA-N 404.441 4.163 0 1 HIAF O=C(CSc1nc2c(sc3ccccc32)c(=O)n1-c1ccccc1)N1CCCC1 9664655 ZOYQVFUODMAJHG-UHFFFAOYSA-N 421.547 4.315 0 1 HIAF O=C(c1c[nH]c2cc(OCc3cccnc3)ccc12)[C@@H]1CS[C@@H](c2cccnc2)N1 13737459 UNLUNCGDJQPVLF-GMAHTHKFSA-N 416.506 4.123 0 1 HIAF CC(=O)Oc1ccc(C(=O)Nc2cc(NC(=O)COC3CCCCC3)ccc2C)cc1 27082411 LAXPDTVIFDURSH-UHFFFAOYSA-N 424.497 4.460 0 1 HIAF Cc1cc(Cl)nnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)[C@H](C)C1 28455946 UYRUGSNDSPDURK-OAHLLOKOSA-N 401.942 4.479 0 1 HIAF O=c1c2c(N3CCCC3)nccc2nc(-c2ccccc2O)n1CCc1ccccc1 43016951 OYRBKHHIYAOUMX-UHFFFAOYSA-N 412.493 4.007 0 1 HIAF O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCN(Cc2cccc(O)c2)CC1 45189569 CBLHSXGKTKQLKV-FNORWQNLSA-N 405.325 4.493 0 1 HIAF O=C(NCc1ccccc1OC(F)(F)F)c1ccc(OCCC(F)(F)F)nc1 45252899 YQFNCZWCKSSKBX-UHFFFAOYSA-N 408.298 4.241 0 1 HIAF Cc1cccc(N2CCN(C[C@@H](C)NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1C 84581773 PQZAWBXSCXNBOF-PXLFARDKSA-N 409.618 4.147 0 1 HIAF O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1cnccn1)CC2 84709101 VPYJFTGSBOEDQH-UHFFFAOYSA-N 421.504 4.237 0 1 HIAF CCc1c(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)[nH]c2ccc(Cl)cc12 84713794 BOWIAGINVFDHHU-UHFFFAOYSA-N 424.976 4.108 0 1 HIAF COc1ccc2nc(/C(=C3\C(=O)Nc4ccc(C(=O)O)cc43)c3ccccc3)[nH]c2c1 84740714 GTHUEDBAWKTNDV-MRCUWXFGSA-N 411.417 4.181 0 1 HIAF CN(C)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12 95593325 HIQCZDGSCMKKFM-UHFFFAOYSA-N 416.525 4.079 0 1 HIAF C[C@H](Cc1nccs1)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166086939 XWROSGKREHSYCB-CQSZACIVSA-N 424.501 4.191 0 1 HIAF Cc1cc2c(cc1Oc1ncc(C(=O)NCCO)s1)CC[C@@H](c1ccccc1C)O2 169710746 DWFBIOGFQZUQTR-SFHVURJKSA-N 424.522 4.341 0 1 HIAF C[C@H]1Cn2c(nnc2-c2cccnc2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl 219174711 KRUNLDBOHJWLOR-NSHDSACASA-N 421.810 4.057 0 1 HIAF CC(C)[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)C(=O)O 299834852 VGOGNRGQTBVDBX-QHCPKHFHSA-N 401.466 4.082 0 1 HIAF COC(=O)c1cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2c(F)c1Nc1ccccc1 587021245 GPJQSFMMACOYOI-SNVBAGLBSA-N 412.446 4.409 0 1 HIAF CC[C@]12CC[C@@H]3[C@H]4Cc5cc6c(O)nc(O)nc6nc5C=C4CC[C@H]3[C@@H]1CCC2=O 587561725 KFBNYGOTQRYYLM-XPGRIIKNSA-N 405.498 4.187 0 1 HIAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1ccccc1 587580364 HTWMRDQKJMVVND-GBXCKJPGSA-N 413.433 4.158 0 1 HIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NCc1ccc(F)cc1 587658850 SXHQYNWVNZBWDH-UHFFFAOYSA-N 407.445 4.265 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ccc(OC)nc3)c(=O)c3ccccc23)c(O)c1 587666026 XNXGCMJFOCPDKM-UHFFFAOYSA-N 416.481 4.008 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)([C@H](C)CC(=O)O)N1 587744738 IIXJJEXGHDWUIM-FKANQGBASA-N 421.310 4.059 0 1 HIAF CC(=O)N1CCc2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587766015 LZNHSRUUBGLQQS-XUSGNXJCSA-N 417.322 4.295 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(Cc3cccnc3)CC2)N1 587771030 UWZDADNDAOGKKD-QKKBWIMNSA-N 418.354 4.471 0 1 HIAF COC(=O)c1[nH]c(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587791428 MBGHZYQDYCYGTA-ZRNGKTOUSA-N 409.299 4.117 0 1 HIAF CCOC(=O)COc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587798804 ZKWPMPVYQCNNAX-MPBGBICISA-N 422.294 4.154 0 1 HIAF COc1cc2c(cc1OC)[C@](c1cccc(C3OCCO3)c1)(C1CC1)N(C)[C@@H](C)C2 962569094 MFQXPBNSLIVCLY-IVCQMTBJSA-N 409.526 4.279 0 1 HIAF C[C@@]12CC[C@]3(C=C1CCCC2=O)c1ccccc1C[C@]1(C2CCC2)C(=O)NC(=O)N31 962662599 IRJYSRLAOKGYCZ-DSITVLBTSA-N 404.510 4.008 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(Nc3nn[nH]n3)C[C@H](CC(C)C)C2)N1 962944261 HLAHQHQVPYSGGI-PXAQALGRSA-N 405.550 4.253 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccnc2S(=O)(=O)c2ccccc2)N1 962958009 ZTTDTARVLLRMIV-OPAMFIHVSA-N 417.534 4.409 0 1 HIAF CC(C)(C)OC(=O)NC[C@]1(c2ccc(O)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963104122 HERVEJZQCSXPKL-DVECYGJZSA-N 412.505 4.320 0 1 HIAF CCNC(=O)C[C@H]1N=C(C2CCCCC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc21 1772637074 UVTKTBNWUZYOKN-JOCHJYFZSA-N 421.541 4.011 0 1 HIAF O=C(NCc1cccc2ccccc12)c1nc2c(OC3CCNCC3)cccc2o1 1857537556 NGYIQFGOTOJMOP-UHFFFAOYSA-N 401.466 4.042 0 1 HIAF CCCN1CC(=O)Nc2ccc(I)cc2[C@@H]1c1ccccc1 1911583388 OICLWUZLCMWESU-SFHVURJKSA-N 406.267 4.045 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@](O)(C(C)C)C=C3[C@H](OC(C)=O)C[C@@H]21 2356515331 KQVWNDSMMYPVJY-JHXGOWNISA-N 406.563 4.421 0 1 HIAF COc1c([C@@H](CC(C)C)OC(C)=O)ccc2c1C(=O)Oc1cc(C)cc(CO)c1O2 2356791521 IQUKZMHSFDVXJQ-GOSISDBHSA-N 414.454 4.471 0 1 HIAF CCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cc(Cl)ccc1OC 5067299 NODLJAPEOKUJHZ-UHFFFAOYSA-N 414.889 4.115 0 3 HIAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214682 GVTDUFDOSJYLTD-YKWDRNOUSA-N 402.535 4.129 0 1 HIAF Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CCCC3)CC2)c1 13835813 NQWKKVJOEVKIHT-SANMLTNESA-N 406.570 4.154 0 1 HIAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@](C)(O)CCC1CCC1 25964828 AIYUGQTUWWVURD-KJUBWGNZSA-N 406.563 4.120 0 1 HIAF Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCC4)CC(=O)N23)cc1 26771667 RCHFUUBRLYQKLW-RDGATRHJSA-N 413.521 4.104 0 1 HIAF biogenic Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2C(C(=O)O)C(=O)O 28565943 YJEOTFNYZRJYFK-IBGZPJMESA-N 421.449 4.087 0 1 HIAF N=C(N)Nc1ccc(C[C@@H](N)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 28869493 KBAIUJQIGXFZDI-FQEVSTJZSA-N 410.414 4.170 0 1 HIAF COc1ccc([C@@H]2[C@H](CCS(=O)(=O)c3ccccc3)C(=O)N2c2ccccc2)cc1 29053459 MDNMVLSUAGMWOK-XZOQPEGZSA-N 421.518 4.263 0 1 HIAF in-vitro CO[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(C)=O)c(C)s2)C1 40011802 LYNTZTZGCPNFQC-QZTJIDSGSA-N 413.543 4.171 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2ccc(F)cc2F)C(=O)C1 43204686 VNEYCAAUOFFQMB-UHFFFAOYSA-N 418.749 4.126 0 1 HIAF C[C@@H](C(=O)NCc1ccc([C@@H]2C=CCC2)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73239796 XLVSBBAKCTYGEW-NVXWUHKLSA-N 416.518 4.051 0 1 HIAF COCCC(=O)N(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 95592049 MFQLVAIMTGXBSE-UHFFFAOYSA-N 413.481 4.435 0 1 HIAF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F)C1CCCC1 96177293 ZPZBOPWHTRROBI-UHFFFAOYSA-N 416.460 4.204 0 1 HIAF O=C(OC[C@H]1C[C@H]2CC[C@@H]1C2)c1cc(CO)cc(C(=O)OC[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 101588497 NLHFLNGHBNUOLE-GMLHRNBNSA-N 412.526 4.365 0 1 HIAF C[C@@H]1CN(C)c2cccc3c2N1[C@H]1CCN(CCCC(=O)c2ccc(F)cc2)C[C@@H]31 139255735 QWOQSWADTUZGSG-WTNAPCKOSA-N 407.533 4.305 0 1 HIAF CN(CC(=O)O)C(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145668655 JQBIJAMULSJEOC-KRWDZBQOSA-N 424.478 4.158 0 1 HIAF Cc1nc(C)c2cc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)ccc2n1 147827381 HYXFMJAJQAKJSH-DNVCBOLYSA-N 412.493 4.365 0 1 HIAF COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)c1 473115517 UBKUVHPSYNJMBM-UHFFFAOYSA-N 406.507 4.022 0 1 HIAF Cc1nc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2cc1Br 587007774 RHMDSGQREVHVKM-UHFFFAOYSA-N 407.069 4.335 0 1 HIAF O=C(O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587027486 RDPULDDBRVZLCP-CCKFTAQKSA-N 409.511 4.398 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(Cl)ncnc3[nH]1)N2 587031395 NJLSZTPKAVJHNW-HMXLAXJASA-N 406.924 4.133 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cncc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587240473 UIGVBNJOQQGOKY-PLTJGGDTSA-N 406.914 4.166 0 1 HIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587245711 YBPHMTOLLYIEAF-UHFFFAOYSA-N 402.241 4.404 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(Br)ccc(O)c4n1)[C@@H](C2)C3=O 587418298 TZPQDGPFSDORLL-FKIZINRSSA-N 412.239 4.200 0 1 HIAF CN(C)/C=C\[C@]1(c2cccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551838 KLSUECBGBIPMCO-PGMATYRKSA-N 422.868 4.373 0 1 HIAF O=C(O)c1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 587586388 BYVVKMYBBNVPRY-KNQAVFIVSA-N 401.374 4.275 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598816 VKEOQLSHLIJQDC-GBXCKJPGSA-N 404.418 4.121 0 1 HIAF COc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655909 HSAOUHYIRDDLKU-UHFFFAOYSA-N 422.387 4.070 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)n2)N1 587683372 OVRFEBCBUUFLFN-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF CCn1ncc([C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587724136 ZVLMYKFKPKBKIL-XLFHBGCDSA-N 402.258 4.156 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncn2Cc2ccccc2)N1 587752116 BSPMXHDSUDDOLA-RNODOKPDSA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCn3c(O)nc4cccc2c43)N1 587777955 KEUOWCOOUDGODU-PRWKNARSSA-N 416.294 4.215 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(N[C@@H](C)Cc4cc(Br)c(F)cc41)[C@H](C3)C2 587810104 TVLVCGDCNZNMHO-CRFUEDRYSA-N 422.338 4.317 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3c(c2)CCCC3)N1 587829217 RBPFDGMYUVONAF-QKVFXAPYSA-N 418.306 4.329 0 1 HIAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CF)(c2ccc(Cl)cc2)N1 962708416 ZASFTWNHLZELLX-RDJZCZTQSA-N 405.750 4.310 0 1 HIAF COC(=O)[C@@H](Cc1cccc(Cl)c1)[C@]1(C)NCCc2cnc3c(OC)cccc3c21 963054239 HYCSGBOVNKTEGQ-DVECYGJZSA-N 424.928 4.290 0 1 HIAF C[C@]1(c2c(N)cc(F)cc2F)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186340 SSDPVDPLDAGTOX-PBHICJAKSA-N 420.765 4.082 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(Cl)cc2C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963631497 DNCSBYBCFJINMQ-PEBXRYMYSA-N 403.906 4.007 0 1 HIAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2C[C@@H]3C[C@H]1C[C@@](CC(=O)O)(C2)C3 1857621790 RKNILYVZCIUTKZ-WFQZEPFKSA-N 405.922 4.283 0 1 HIAF CC(C)CCCCCCCCC[C@]1(O)C=C[C@@H]2N(CCCCNC(=N)N)CCCN21 2356827910 IQMRXJMUTRVBJS-VWNXMTODSA-N 421.674 4.009 0 1 HIAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@H]1c1ccc(F)cc1 95604018 YZCBBOHDSJVFDH-SFHVURJKSA-N 404.894 4.358 0 3 HIAF Cc1ccccc1C(=O)N[C@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O 199411596 JTCSCFIXDDIRSK-IBGZPJMESA-N 404.432 4.325 0 3 HIAF Cc1cnc(C)c(-c2cnn(C(C)(C)C(=O)NCc3cccc(C(F)(F)F)c3)c2)n1 205214968 ILUZMSPKWWZFHW-UHFFFAOYSA-N 417.435 4.027 0 3 HIAF COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 772749 UGFAVJZEAMHPMC-CTNGQTDRSA-N 410.857 4.350 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215817 FQJHQCITQOZRFI-PWZKMPOXSA-N 404.551 4.232 0 1 HIAF CC(=O)O[C@@H]1C[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c3ccc(O)cc3)CC(C)=CC[C@@]21C 13432388 CHQMIQBQLGDCJJ-MNEQBICUSA-N 416.514 4.003 0 1 HIAF biogenic C[C@](O)(c1ccc(Cl)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26007472 DBNSJQYHNPJTNN-ZWKOTPCHSA-N 412.704 4.034 0 1 HIAF O=c1[nH]c2c(O)ccc(CCNCCCCCOCCCc3ccccc3)c2s1 40475125 BBGPMEIVZUGQMU-UHFFFAOYSA-N 414.571 4.247 0 1 HIAF O=C1Nc2ccc(Cl)cc2[C@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 45283985 UYWRUEVDNQJADG-MRXNPFEDSA-N 402.731 4.229 0 1 HIAF COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)c(F)c1 221616005 YFISEEHEDYLAHH-UHFFFAOYSA-N 416.456 4.032 0 1 HIAF C[C@@H](N=c1[nH]c2ccc(-c3ccn(CC4CC4)c(=O)c3)cc2s1)C1CCOCC1 473094930 WTFBXXYMHMHBJI-OAHLLOKOSA-N 409.555 4.184 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1 586938599 WSSHQKYZRFXXCT-CQSZACIVSA-N 413.927 4.128 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586987464 WSSZZAIYXPFRTK-VERVWZFWSA-N 405.425 4.158 0 1 HIAF CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)-c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587104415 HBARZKUASXQSBE-QGZVFWFLSA-N 423.472 4.358 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(NC(C)=O)c(C(=O)O)c1C)CC2=O 587493675 UOEQHZNAGAGFQQ-NRFANRHFSA-N 417.483 4.252 0 1 HIAF COC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587524410 OCHPIHQRFUESLP-VWLOTQADSA-N 406.478 4.175 0 1 HIAF CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)n1 587556974 PPBWQWOUMFHEFU-CRAIPNDOSA-N 404.344 4.330 0 1 HIAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2oc(N)nc2c1 587579067 YCYWRXVYTARGPN-JPYJTQIMSA-N 402.406 4.301 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCN(C)C)cc2)N1 587738537 BAPZIBXSSVQUJR-LHSJRXKWSA-N 421.354 4.326 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Br)n2)N1 587850740 FEXBTBMNGYMIJW-INWYIAFRSA-N 406.118 4.431 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2N2CCSCC2)N1 587853960 BPOQSBAIMJJEIC-NRXGSXMXSA-N 413.400 4.309 0 1 HIAF COC(=O)c1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)c(OC)c1 587863177 SWIWGKZSOQULIQ-UHFFFAOYSA-N 406.360 4.362 0 1 HIAF COc1cc([C@H]2NCCc3c2c(C(C)C)nn3C)ccc1OCc1csc(C)n1 962921201 SJVFEMNBEOCJDK-JOCHJYFZSA-N 412.559 4.131 0 1 HIAF Fc1ccc2nc([C@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)[nH]c2c1 962958704 OLCQXGCMKFNNBQ-SFHVURJKSA-N 405.395 4.462 0 1 HIAF Cc1ccccc1[C@]1(CCCCC(=O)O)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228606 SUXRPBJQDBOJOY-RDGATRHJSA-N 418.493 4.031 0 1 HIAF COC1=C(c2ccccc2)Oc2ccc(OC)cc2[C@@]12NCCc1ccc(O)cc12 963353805 UFBFKDFYCHRILN-RUZDIDTESA-N 401.462 4.198 0 1 HIAF COc1cc(N(CC2CC2)c2ccc(Cl)cc2)cnc1C(=O)[C@@H]1C[C@H]1C(=O)O 1772586332 RGANFCZPDDPSBH-IAGOWNOFSA-N 400.862 4.195 0 1 HIAF C[C@@]1(F)CC(F)(F)[C@@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)NC1=N 1772589441 OKTQKJMRIBXJQN-QZTJIDSGSA-N 412.362 4.161 0 1 HIAF O=C(NS(=O)(=O)c1c(-c2ccccc2)noc1-c1ccccc1)c1cccs1 1857654781 LQOIBBWQNYQYLT-UHFFFAOYSA-N 410.476 4.189 0 1 HIAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1ccc(-c2ccccn2)cc1 61904596 ADNCTURPYFHGLV-VWLOTQADSA-N 415.493 4.123 0 3 HIAF C[C@@H](CNCCCn1cnc2c(OCc3ccccc3)ncnc21)c1ccccc1 61935981 LTNWLPCNILQROH-IBGZPJMESA-N 401.514 4.189 0 3 HIAF COc1ccc(CNCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)cc1 100511973 BODUHRAMWHKSMF-UHFFFAOYSA-N 416.525 4.261 0 3 HIAF C[C@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205709367 SGMIONYIGMBCES-BBTHKVSRSA-N 408.464 4.395 0 3 HIAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F 775224 TVABTDXZBLUYIN-GFCCVEGCSA-N 406.816 4.441 0 1 HIAF O=C(O)c1ccoc1Cn1nnc(-c2cccc(/C=C/c3ccc4ccccc4n3)c2)n1 13452839 YIWSDWDTPMOMFQ-CSKARUKUSA-N 423.432 4.398 0 1 HIAF COc1ccc([C@H]2[C@H](CCS(=O)(=O)c3ccccc3)C(=O)N2c2ccccc2)cc1 29053463 MDNMVLSUAGMWOK-GOTSBHOMSA-N 421.518 4.263 0 1 HIAF in-vitro CNC(=O)Nc1snc(S[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1C(N)=O 36348974 HYEDJICMYMBSHW-VIFPVBQESA-N 424.857 4.042 0 1 HIAF O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)c1cc2ccccc2cn1 71341292 SYSXIQSCCOBQPW-DEOSSOPVSA-N 410.473 4.319 0 1 HIAF CCN(CC)CCOc1cccc(C(=O)c2cccc(OCCN(CC)CC)c2)c1 82159996 TWNRAYPQQCHECY-UHFFFAOYSA-N 412.574 4.359 0 1 HIAF COc1ccccc1OCCNC[C@@H](O)COc1ccc2oc3ccccc3c2c1 96939632 NVGDCOVCTGDPOD-QGZVFWFLSA-N 407.466 4.003 0 1 HIAF CC(C)NC[C@H](O)COc1ccc(CC(=O)O[C@@H]2C[C@@H](C(C)C)C[C@@H](C)[C@H]2C)cc1 253636273 XDTTWGPDHGKGPK-NJBPOOFMSA-N 419.606 4.217 0 1 HIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1S(=O)(=O)CC3 586993361 GQLUFGGTUQARFL-UHFFFAOYSA-N 413.454 4.149 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccn4)c(Br)c1)[C@@H](C2)C3=O 587411582 FDSBZWGADBADBL-VBKZILBWSA-N 411.255 4.132 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570735 XLNRYUDVLFUCJZ-XUZZJYLKSA-N 422.408 4.342 0 1 HIAF CC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2C1 587582702 NOYITSPABJUFKK-DHLKQENFSA-N 415.445 4.002 0 1 HIAF CC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587710579 SWSOPXZQJNNIHB-WPPNPWJKSA-N 418.175 4.494 0 1 HIAF CCCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2 653786555 UQJKHCIAKGGWCM-UHFFFAOYSA-N 402.498 4.389 0 1 HIAF CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Nc3ccccn3)CC2)C1 1857583977 WZBGIDQTURYSRO-RZDIXWSQSA-N 408.937 4.399 0 1 HIAF C[C@@H]1C=C[C@H](O)C=C(Cl)CCOC(=O)C2=CC[C@@H]3CCC[C@]4(CCC[C@H]14)N3C2 2356413140 ONRNPNQJAQBNOL-VUFOIJLHSA-N 405.966 4.333 0 1 HIAF COc1cc2c(c(OC)c1O)[C@H]1O[C@@H](c3cc4c(c(OC)c3-2)OCO4)[C@H](C)[C@H]1C 2356561127 QITMVOBKZVSKFM-QLHJNZKFSA-N 400.427 4.212 0 1 HIAF CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1 2356615634 IPDUMYRKLCXLQE-UHFFFAOYSA-N 419.587 4.317 0 1 HIAF Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2cccs2)CC1 4100922 ABQDJTCVUAGQEB-UHFFFAOYSA-N 413.518 4.379 0 3 HIAF COc1cc(-c2cc(NC=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)ccc1O 61908628 BAGBIGRNTXLBDL-UHFFFAOYSA-N 401.422 4.153 0 3 HIAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 203462426 WACCLSOHTOTSSV-UHFFFAOYSA-N 404.392 4.114 0 3 HIAF CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCC(C)(C)CO)c1 774268 RLHIQDDVQXZUHY-UHFFFAOYSA-N 424.497 4.164 0 1 HIAF O=S(=O)(c1ccc2ccccc2c1)N1c2ccccc2-c2ccccc2S1(=O)=O 2484088 YNEHUWAAGCMPLZ-UHFFFAOYSA-N 421.499 4.404 0 1 HIAF O=C1C[C@@H](c2ccccc2)c2cccc3c2N1Cc1c(-c2noc(C4CC4)n2)ncn1-3 13760369 JPQHYVFTCPAEGO-KRWDZBQOSA-N 409.449 4.182 0 1 HIAF FC(F)(F)c1cc(COC[C@H](c2ccco2)N2CCNCC2)cc(C(F)(F)F)c1 22926925 FMZZTZIGIJHYFN-MRXNPFEDSA-N 422.369 4.480 0 1 HIAF CSCCSCCC(=O)OC[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C 27517655 WSLCFIYYDJNWLK-ZRNYENFQSA-N 411.608 4.422 0 1 HIAF CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CCC(=O)O)c(C)c1 35847879 RUOLUVWKKUNVSF-UHFFFAOYSA-N 400.418 4.492 0 1 HIAF CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccccc1)CC(=O)C[C@@H]2c1c[nH]c2ccccc12 45284279 VSKBAMUJGAYYOO-VQTJNVASSA-N 417.461 4.221 0 1 HIAF Cc1cc(C)nc(NC(=S)N2CCN(c3cccc(OC(F)(F)F)c3)CC2)c1 95566512 DYMUNDVULGLTMX-UHFFFAOYSA-N 410.465 4.116 0 1 HIAF Cc1c([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)cnn1Cc1ccccc1 142152856 PFXVGBNNSSUBKO-OXJNMPFZSA-N 420.517 4.184 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(C3CCCCC3)no2)n1 221131227 XNDMAXVDBHXLAZ-DZGCQCFKSA-N 400.483 4.062 0 1 HIAF O=C1/C(=C\c2ccc(O)cc2)N=C2C(Cc3ccccc3)=NC(c3ccc(O)cc3)=CN12 238732318 GXSAVXXAPZMOAN-HZHRSRAPSA-N 421.456 4.375 0 1 HIAF COc1ccc(Cl)cc1-n1cc(-c2sc(NC(=O)C(C)(C)C)nc2C)[nH]c1=O 299841375 ZMXDNDIEYNYOQB-UHFFFAOYSA-N 420.922 4.244 0 1 HIAF O=C1CCc2cc3nc(-c4ccccc4CS(=O)(=O)c4ccccc4)[nH]c3cc2N1 586921695 LHSDRAYEWMNGEF-UHFFFAOYSA-N 417.490 4.089 0 1 HIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cs1 587019998 BGNHXENSOAUZNF-UHFFFAOYSA-N 402.476 4.119 0 1 HIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(Br)c4[nH]3)cc2N1 587127339 XJCFFZSJLWLGMR-CPCISQLKSA-N 400.202 4.496 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c(I)cccc13)O2 587387476 SBRGQLFTNBBPEJ-MRXNPFEDSA-N 418.234 4.370 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1cc(C)ccc1C)CC2=O 587481488 MVQGGKPNIZYQRC-RUZDIDTESA-N 424.493 4.345 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Cl)=COc1cc(O)ccc12 587552225 OVPQVBTXZNOXNR-DENIHFKCSA-N 408.793 4.428 0 1 HIAF CC(C)(C)OC(=O)N[C@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582291 ZLVNPUJTRUCIKK-PIFXAOAFSA-N 411.454 4.170 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)nc2F)N1 587738114 KEHHAZSWWOZJPN-ADLMAVQZSA-N 408.290 4.346 0 1 HIAF COC(=O)[C@@H]1CC[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587808812 PHHOVHZMNZNEBI-QURLWZIUSA-N 418.306 4.416 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2C[C@H]2C(=O)O)N1 587828655 UQJLRYCWTBZRMI-HBYYQFAISA-N 404.279 4.087 0 1 HIAF NC(=O)N1CCc2sccc2[C@@]1(c1ccc(Cl)nc1)c1cccc(F)c1F 962709690 RBDVTUPFXNWDOK-IBGZPJMESA-N 405.857 4.303 0 1 HIAF C[C@]1([C@H]2CC2(Cl)Cl)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963166087 CJMIJLDPCHEWSF-IGJMFERPSA-N 402.627 4.367 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCOc2c(Br)cc(C)cc21 963609759 OHFWBQDUDZMSJN-LRTDBIEQSA-N 418.331 4.335 0 1 HIAF Cc1nc2ccccc2c(=O)n1CCCCCN1CCN(c2cccc(Cl)c2)CC1 1772639327 IUHLOLZVDWRWFT-UHFFFAOYSA-N 424.976 4.351 0 1 HIAF COC(=O)[C@@]1(C=C[C@H](C)[C@H](OC)c2ccccc2Br)[C@H]2OCCC[C@@H]21 1857622795 KAZMGBQDEYZMGJ-AODHUNPMSA-N 409.320 4.297 0 1 HIAF CCCCCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 2356316064 AVANJSDPIYIGCC-ONTIZHBOSA-N 408.608 4.274 0 1 HIAF CC[C@H](C)C=C(C)C=CC1=CC2=C(Cl)[C@H](O)[C@]3(C)OC(=O)[C@@H](C(C)=O)[C@H]3C2=CO1 2356444829 KLSDJLUKJAUCQO-OUNKPACKSA-N 418.917 4.337 0 1 HIAF CC1=C[C@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@@H]1Cc1nc2ccc(Cl)cc2[nH]1 2356507985 NDGRNCICOWAOKE-INMHGKMJSA-N 409.983 4.163 0 1 HIAF Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCc2cccnc2)CC1 4057294 UZDBLOJDJLQPJN-UHFFFAOYSA-N 424.932 4.227 0 3 HIAF O=C(Nc1ccccc1C(=O)O)c1ccc(N2CCOCC2)c(Oc2ccccc2)c1 13611185 SYFDHLUJJBSCKT-UHFFFAOYSA-N 418.449 4.266 0 1 HIAF CCc1c(C)c(-c2ccc(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2[n+]1[O-] 26667356 OBZJSBYOGUDYAW-UHFFFAOYSA-N 413.470 4.054 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O 29131909 RSVOVHDOLNWYER-RYZVYYIHSA-N 405.538 4.177 0 1 HIAF in-vitro COC(=O)[C@]1(C)C=C[C@@H](C)[C@H](c2ccccc2Br)N1C(=O)C(F)(F)F 36381686 PZNMCEPHIVAKBR-ZXIHIIQKSA-N 420.225 4.019 0 1 HIAF COC(=O)[C@@H]1C[C@]2(CC=C(C)C)c3ccccc3N3C(=N)[C@@H](Cc4ccccc4)N1[C@@H]32 40939449 OYQFARLFBYSBDE-FIKUDORNSA-N 415.537 4.276 0 1 HIAF CC(C)=CCc1cc(-c2coc3cc4c(c(O)c3c2=O)C[C@H](C(C)(C)O)O4)ccc1O 59728659 STWKZOLIYPDQRJ-OAQYLSRUSA-N 422.477 4.454 0 1 HIAF biogenic,in-vitro O=c1cc(OCc2ccccc2F)ccn1-c1ccc(OCCN2CCCC2)cc1 66251603 GJOARULBWVWENP-UHFFFAOYSA-N 408.473 4.030 0 1 HIAF COCCn1c(-c2cccc(O)c2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181102 OKYXHOSYETUVGD-UHFFFAOYSA-N 409.877 4.111 0 1 HIAF OC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H]2CN(Cc3cccnc3)CCCCN12 95874751 PXAWFGHUHTZWGB-TWJOJJKGSA-N 403.570 4.074 0 1 HIAF O=C(O)[C@@H]1CCCN(CCO/C=C\c2ccc(F)cc2Cc2ccccc2F)C1 96923648 KTUNXHGQFWELDZ-UZRURVBFSA-N 401.453 4.340 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 104556950 ZAHNDAGNFYIZGM-FEWXGRTASA-N 404.595 4.166 0 1 HIAF CC(=O)N1CCc2nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c3ccc(C)cc3)c2C1 146782756 TWLCLCOEUHXQIS-QFIPXVFZSA-N 410.514 4.211 0 1 HIAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccnc(Cl)c4[nH]3)CC2)cc1 586955141 LINYDSXWOSVFEL-UHFFFAOYSA-N 418.950 4.303 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(OC(F)(F)F)c4[nH]3)cc12 587039670 ZYGRZZSBZXCFNE-SECBINFHSA-N 423.420 4.209 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc3c(cc2[nH]1)OCCCO3 587042721 LGDTUHLWVKVKBR-KRWDZBQOSA-N 401.875 4.033 0 1 HIAF CC1=C(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@H](C)n2nnnc2N1C 587096940 MFIJYRMPYGLXAJ-AWEZNQCLSA-N 408.465 4.183 0 1 HIAF Fc1ccc(S)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 587140116 CBBCPXXFBGWCOL-UHFFFAOYSA-N 405.623 4.311 0 1 HIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587198353 HLOIUIKMGGLCML-UHFFFAOYSA-N 422.391 4.410 0 1 HIAF CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517479 NZZXKAMFFSXEDD-VOIUYBSRSA-N 413.514 4.463 0 1 HIAF Nc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539765 JKQZNLHAGXJAGY-FXAWDEMLSA-N 412.239 4.440 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccccc1)CC2 587582718 NSGMCKTVOUJSJH-NRFANRHFSA-N 415.445 4.029 0 1 HIAF CC(C)(C)OC(=O)[C@@H]1[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587590789 APYZOSDDTLARHH-TWFHAPMSSA-N 410.466 4.336 0 1 HIAF CCS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587608934 TZCGXNMFULLZMP-OFNKIYASSA-N 424.474 4.063 0 1 HIAF C[C@@H](Sc1nc2ccccc2s1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587653200 FKSSPFFESZFQER-SNVBAGLBSA-N 401.900 4.481 0 1 HIAF COC1=C(Br)[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587681554 LHNQHVXRXOTBPG-VXJOIVPMSA-N 405.105 4.364 0 1 HIAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)nn1C 587720330 MRWNLDXTUIOJBH-JKYUHCHBSA-N 406.221 4.273 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cnc(N)nc2)N1 587746034 LBKIDRFTGWSHPV-WYRIXSBYSA-N 413.294 4.251 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=S)N(C)C)c2)N1 587842855 GRQIVFLJEDOCSV-BBATYDOGSA-N 423.351 4.437 0 1 HIAF Cc1cccc2c1N(C)C=C(C(=O)O)[C@]21c2ccsc2CCN1Cc1cccn1C 962396954 IFDQKDOXBVBYHG-DEOSSOPVSA-N 419.550 4.115 0 1 HIAF CC(=O)Oc1ccccc1[C@]1(c2ccc(Cl)cc2)NCCc2c(C(=O)O)cccc21 963128491 AQGDCISWHLLRBG-XMMPIXPASA-N 421.880 4.401 0 1 HIAF Cc1ccnc2c1c([C@H]1N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc31)cn2C 963164812 ADGUQWBGSBWAND-RDJZCZTQSA-N 423.822 4.242 0 1 HIAF Fc1cc(C(F)(F)F)ccc1CN1CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772602148 HYNVPLZEZDHRAU-UHFFFAOYSA-N 418.398 4.143 0 1 HIAF O=C(N[C@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)c(F)c1 1857614652 ZZLQCICPEFYHDA-HSZRJFAPSA-N 413.452 4.371 0 1 HIAF COc1ccc(OCc2cn(CCNc3ccnc4cc(Cl)ccc34)nn2)cc1 1857760623 QHPRJTRKUDPRLK-UHFFFAOYSA-N 409.877 4.179 0 1 HIAF O=C(CCCc1ccccc1)C(=O)NCCc1ccc(Oc2ccnc(Cl)n2)cc1 1911573739 IFAVDLARDLVRRS-UHFFFAOYSA-N 423.900 4.173 0 1 HIAF CC1(C)[C@H]2CC[C@]3(C)[C@H](C[C@H](O)[C@@H]4[C@H]([C@H]5C=CC(=O)O5)CC[C@@]43C)[C@]2(C)CC[C@H]1O 2356638371 BHCIGQMFNDFUAU-BWTGAPTMSA-N 416.602 4.485 0 1 HIAF O=C(O)CCSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1 5522843 GGPDKJXUIPLKRE-UHFFFAOYSA-N 402.907 4.159 0 3 HIAF Ic1ccc([C@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 2916579 YLHYSSXVAKCIGQ-OLZOCXBDSA-N 408.268 4.091 0 1 HIAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 4081168 YOWPRYRBWSPSFS-FUDKSRODSA-N 420.896 4.282 0 1 HIAF COC(=O)[C@H]1[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 13737426 XSYGBVSQKPLETJ-DOIPELPJSA-N 401.453 4.095 0 1 HIAF COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)c(C)c1C 13780404 HVETYNWTLWUHHA-UHFFFAOYSA-N 415.505 4.408 0 1 HIAF Cc1nn2c(C)c(C(=O)Nc3ccc4c(c3)OCO4)cnc2c1-c1ccc(F)cc1 15733087 LTTBFMLERAPMMA-UHFFFAOYSA-N 404.401 4.133 0 1 HIAF COc1cccc(Cc2n[nH]c(-c3cccnc3Nc3cc(OC)cc(OC)c3)n2)c1 28530476 GNFQVVHIOGMTEE-UHFFFAOYSA-N 417.469 4.227 0 1 HIAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc(CCCCN3CCCC3)cc1)C2 40380329 OMLYPOPMLOPEPH-DEOSSOPVSA-N 409.526 4.309 0 1 HIAF CCSC(=S)SCC(=O)c1ccc(C(=O)NCCOc2ccccc2)cc1 40933164 RPYKDZGNYHZISA-UHFFFAOYSA-N 419.593 4.449 0 1 HIAF O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 62178842 LFGACFGWTJMDPZ-BTYSMDAFSA-N 411.461 4.023 0 1 HIAF COc1ccc(CN2C(=O)[C@@H](C)[C@@]2(Cc2ccccc2)C(=O)NC2CCCCC2)cc1 72118600 LAMXIEPGWPVTBC-BCHFMIIMSA-N 420.553 4.104 0 1 HIAF O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085226 JVTRJAPKNPMEDH-OAQYLSRUSA-N 415.449 4.009 0 1 HIAF CCCCNC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccccc1 82132438 OSLJORHYRTXXHA-UHFFFAOYSA-N 420.513 4.303 0 1 HIAF CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NCc3cccs3)ncnc21 82190297 FPTARVIMPFNZMC-MRXNPFEDSA-N 408.531 4.244 0 1 HIAF NS(=O)(=O)c1ccc2[nH]c(Cc3ccc(F)cc3)c(Cc3ccc(F)cc3)c2c1 84724298 VNKOBDQIXBXISQ-UHFFFAOYSA-N 412.461 4.275 0 1 HIAF COc1cccc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccccc3OC)cc2)c1 100107241 ATRZBTYYIXQRMV-OCYIUTNCSA-N 400.522 4.311 0 1 HIAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3CCOc4c3cccc4C(C)(C)C)cccc21 143257966 IUZYDCRYBYLHPM-GOSISDBHSA-N 408.502 4.289 0 1 HIAF O=C(/C=C/c1ccc(Br)cc1)N1CCN(Cc2cc(F)cc(F)c2)CC1 215282434 ALWZDEOVAJDSBI-ZZXKWVIFSA-N 421.285 4.085 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccnc4)n3)c(Cl)cn2)CC1 261172637 UCGNEHADSDZOQC-QAQDUYKDSA-N 408.937 4.486 0 1 HIAF O[C@H](c1ccc(Br)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586998253 ZTUXVNQRDLLZCM-GFCCVEGCSA-N 422.151 4.456 0 1 HIAF O=C(O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026541 LLGFKNDZMMQUFZ-QGTPRVQTSA-N 409.511 4.398 0 1 HIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587033953 CVCXGDNCFIGVOF-ZDUSSCGKSA-N 420.494 4.380 0 1 HIAF CCN1C(=O)C[C@@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H]1c1ccccc1Cl 587061156 KTAXXMLDRGNVJL-SZNDQCEHSA-N 411.889 4.455 0 1 HIAF Fc1cc(Br)cnc1-c1nc2ccc(I)cc2[nH]1 587156153 WVNFNHPPAQNGHN-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587209652 ROUDYKHXXZSKGL-VOIUYBSRSA-N 419.502 4.489 0 1 HIAF CCOC(=O)c1ccc(-c2ncccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587436215 ODGGWGRNIBZJCE-DVECYGJZSA-N 415.445 4.423 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)O)Oc2ccc(Cl)cc21 587462428 OQVUNZULMYHJOV-RXVVDRJESA-N 402.830 4.095 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Br)cc(F)cc12 587506765 LNQCTWNMVZBPAV-FQEVSTJZSA-N 416.246 4.280 0 1 HIAF Cc1ccc([C@@]2(c3nccn3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587574507 BICWBMHCWMMVDY-PXDATVDWSA-N 412.445 4.340 0 1 HIAF Cc1csc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)n1 587608862 ADJYBTOUEVQUBQ-SFHVURJKSA-N 408.479 4.158 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncnc(Cl)c3n2C)N1 587704617 KBYWZMGDGLIFOD-ANRSDYALSA-N 409.690 4.147 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(F)c(Cl)cc12 587728668 FVBBUSGJDJLEPT-GJEGPGMTSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(Cc3ccccc3)n2)N1 587763583 KGTKOHOUGHNHPK-ZUOKHONESA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(=O)n(C)c3ccccc23)N1 587766095 FBYKXNHGYSKCMJ-PRWKNARSSA-N 401.279 4.064 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(C2CCOCC2)N1 587779344 RDJRYJOQCOYXCA-RNODOKPDSA-N 405.311 4.188 0 1 HIAF Cc1nn([C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1Br 587871778 BLJBVDOYBUWSDE-SNVBAGLBSA-N 405.227 4.272 0 1 HIAF OCCCCNc1nccc(NCCCCNc2ccnc3cc(Cl)ccc23)n1 653870778 ZDULYBJJDRJAGU-UHFFFAOYSA-N 414.941 4.167 0 1 HIAF Cc1cc(C)c2c(N)c(C(=O)N3NC(c4ccco4)=C[C@H]3c3ccco3)sc2n1 958590169 DVMIWVTWKZHGOU-AWEZNQCLSA-N 406.467 4.424 0 1 HIAF Nc1ccc([C@@]2(c3cc4ccccc4o3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962917404 GNKZJKNTLUGJFL-GBXCKJPGSA-N 402.425 4.045 0 1 HIAF CC(=O)Nc1ccsc1[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955312 KKXYBQHRGZJAAP-QGZVFWFLSA-N 410.461 4.466 0 1 HIAF CCCCCCS[C@@H]1C[C@@H](c2ccc(C)cc2)N(S(C)(=O)=O)C[C@H]1C(=O)O 1857546122 UCGFBDHUBWUUMZ-CEXWTWQISA-N 413.605 4.084 0 1 HIAF COc1cccc(C(=O)CSc2nnc(COc3cccc4cccnc34)o2)c1 1223341 NOIKCSBCCUPUFY-UHFFFAOYSA-N 407.451 4.180 0 3 HIAF COc1ccc2nc3n(c(=O)c2c1)-c1cc2ccccc2cc1C(=O)N[C@@H]3CC(C)C 61921311 ZLJGXGVTFLDQGG-OAQYLSRUSA-N 413.477 4.378 0 3 HIAF CN1[C@@H](Cc2c[nH]c3ccc(-n4ccnc4)cc23)C[C@@H]2CN(Cc3ccccc3)C[C@@H]21 26567832 NYNSVPFVHILFCW-JJTGBXKASA-N 411.553 4.101 0 1 HIAF O=C1NC(=O)[C@@H](Cc2ccc(OCCc3coc(C4CCCCC4)n3)cc2)S1 26575919 OUVNBSIBOMNYLF-GOSISDBHSA-N 400.500 4.238 0 1 HIAF CCC[C@@H](NC(=O)Cc1ccc(C(=O)O)c(O)c1)c1ccccc1N1CCCCC1 27563022 VQOQJWWSLIZTCE-HXUWFJFHSA-N 410.514 4.281 0 1 HIAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(/C=C\C3=C[C@H](O)[C@@H](O)[C@H](O)C3)=CCC[C@@]21C 28814883 XCZILKGEPWAVGP-YEUYETBPSA-N 418.618 4.285 0 1 HIAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1O 36189321 BGGSGEZOWWTTGS-YRJIKBPLSA-N 408.542 4.244 0 1 HIAF O=C1C=C(C(F)(F)F)[C@@H]2C=C(N(Cc3cccs3)CC(F)(F)F)C=C[C@H]2N1 52996752 SDJYYRIQPGVPOF-GXTWGEPZSA-N 408.367 4.169 0 1 HIAF O=c1cc(OCCc2ccc(F)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1 66258823 CEJXFLYUJFNBHN-UHFFFAOYSA-N 422.500 4.073 0 1 HIAF [C-]#[N+]c1ccc2ccn(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@@H]4CC[C@H]3N4)c2c1 96175279 HJRDIYKLIUAXLY-QFBILLFUSA-N 416.506 4.270 0 1 HIAF CCC(C)(C)C(=O)C(=O)N1[C@@H]2CC[C@H](C2)[C@@H]1C(=O)SCCCc1ccccc1 100971817 OBUILUCOHWRGAN-GUDVDZBRSA-N 401.572 4.264 0 1 HIAF CCOC(=O)c1cccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)c1 101394020 DEIZHXQKSQPELB-UHFFFAOYSA-N 421.518 4.456 0 1 HIAF CN1CCN2c3c(cccc31)[C@H]1CCN(CCCC(=O)c3ccc(F)cc3)CC[C@H]12 142122346 ZVZSSCYKMISSIN-IFMALSPDSA-N 407.533 4.307 0 1 HIAF O=C(Cc1ccc(F)cc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164833580 CQQDGYBNJHZQMU-UHFFFAOYSA-N 412.428 4.335 0 1 HIAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCc5nc(C6CC6)oc5C4)ncn3)c2c1 225558245 CDGLBGWPEHSSCM-UHFFFAOYSA-N 416.485 4.235 0 1 HIAF Cc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1C 586951497 PEMCIULBIRNJDY-UHFFFAOYSA-N 420.332 4.050 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCO4)C[C@H]2CCCC[C@H]21 587024483 ANXFPMUZSQSFMR-OLMNPRSZSA-N 409.511 4.428 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(F)cnc3[nH]2)c1 587048760 MVZBENGJPCJQOI-UHFFFAOYSA-N 403.845 4.060 0 1 HIAF O=c1c(-c2nc3ccc(Br)nc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171912 VJIKVODVYUFKHK-UHFFFAOYSA-N 417.213 4.315 0 1 HIAF C[C@@]1(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174678 RDJXTLLHYDYYFB-QHCPKHFHSA-N 402.429 4.162 0 1 HIAF C[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)N(C)C 587192281 SYRUALCLFMPANN-NSHDSACASA-N 408.399 4.466 0 1 HIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)n1 587342055 YKXGTNMGINKMPI-OFNKIYASSA-N 409.413 4.218 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378079 UHSODNFYZCJYKP-NZQKXSOJSA-N 421.449 4.460 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1N1C[C@H](C)O[C@H](C)C1)[C@@H](C2)C3=O 587422190 XJPKKVUSKGWCAM-XWACEDFUSA-N 413.901 4.451 0 1 HIAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 587490555 YDSPLTJIUAURMB-GJZGRUSLSA-N 401.503 4.326 0 1 HIAF C[C@@]1(c2cn(CCN)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580386 XLZDJLGZUBCCJI-RDGATRHJSA-N 414.461 4.183 0 1 HIAF Cc1nc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)no1 587587730 PPUAARZLNUURRB-SIKLNZKXSA-N 400.390 4.454 0 1 HIAF C[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592005 FVLNWPXYFYMWDQ-XUZZJYLKSA-N 401.418 4.154 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccsc3)c(=O)c3ccccc23)c(O)c1 587670069 NBKJODWEHVRYGA-UHFFFAOYSA-N 419.506 4.365 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587793584 RDXJWARSUIQVFU-DYBLOJMWSA-N 409.299 4.333 0 1 HIAF Cc1cc2ncc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)n2n1 587799379 YMEOJHUZBLJRIR-GIGQVBGESA-N 403.299 4.045 0 1 HIAF COc1ccc([C@](C)(O)C[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587804315 ASVXQIHTVWUVIQ-OCCQLPPTSA-N 408.311 4.470 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)c(Cc2ccccc2)c(O)n1 587871885 PARFNEINLJMSDS-UHFFFAOYSA-N 404.445 4.472 0 1 HIAF COc1ccc(-c2nc(NC(=O)c3ccncc3)c3nn(-c4ccccc4)cc3n2)cc1 653769968 MHACINSCPZTLKI-UHFFFAOYSA-N 422.448 4.138 0 1 HIAF Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@]21NCCc2ccc(F)c(C)c21 962096103 ZZACVFYPRQDAEB-VWLOTQADSA-N 403.501 4.356 0 1 HIAF CCOC(=O)CCC[C@@]1(c2ccccc2OCC)c2ccsc2CCN1C(N)=O 962713637 PCBVDHQVJSSPAM-JOCHJYFZSA-N 416.543 4.061 0 1 HIAF CC(C)=C1NCCc2ccc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)cc21 962729916 LANPMCARBSSPBX-TZIWHRDSSA-N 400.444 4.318 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(F)c(F)c2)C(=O)OC)cc1 1772593638 WTWYYKXYDNUHTD-IVZQSRNASA-N 419.468 4.353 0 1 HIAF COc1ccc(-c2cc(C(N)=O)nc3cc(COc4ccc(F)nc4)sc23)cc1 1857542558 JVMVZXODGWDRLX-UHFFFAOYSA-N 409.442 4.184 0 1 HIAF CC(=CCOC(=O)CC(=O)O)CC[C@@]1(C)[C@@H]2CCC=C3C(=O)OC[C@@]32CC[C@H]1C 2356448631 KCSXWFRRJNDLTQ-UKTRLQBQSA-N 404.503 4.047 0 1 HIAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12)N1CCOCC1 4077459 JMJKTUVUYMFBCR-GGAORHGYSA-N 420.896 4.444 0 1 HIAF CC[C@@H](C)C(=O)O[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 11592692 PCZOHLXUXFIOCF-JYIFFQIBSA-N 404.547 4.196 0 1 HIAF CCN(CC)C(=O)c1ccc([C@@H](c2ccc3ccccc3c2)N2CCNCC2)cc1 22939812 MWVMUDNSSJWKEV-VWLOTQADSA-N 401.554 4.316 0 1 HIAF Nc1ccnc(N2CCC(C(=O)Nc3ccc4ccccc4n3)(c3ccccc3)CC2)c1 40429494 DFQNSXQWRIMKRB-UHFFFAOYSA-N 423.520 4.389 0 1 HIAF COc1ccc(-c2cc(-c3ccccc3)no2)c(OC[C@@H](O)CN2CCCCC2)c1 71294631 ASPDVKYIJNFYNH-IBGZPJMESA-N 408.498 4.243 0 1 HIAF Cn1cc([C@@H](NC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1 72103385 ANTXXZMEXVRHEN-NRFANRHFSA-N 415.463 4.182 0 1 HIAF CCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(OCCCO)cc2)cc1 95597262 FKZUSPAAAOJCQX-UHFFFAOYSA-N 402.498 4.356 0 1 HIAF CC(C)(NS(=O)(=O)c1ccc(NN2CCCCCC2)cc1C(F)(F)F)C1CC1 145742260 CRFNESLWTNEPIM-UHFFFAOYSA-N 419.513 4.375 0 1 HIAF C[C@@H]1SCC[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C1N 201831981 DURSUKKEHOKMQQ-WLRWDXFRSA-N 406.914 4.224 0 1 HIAF CCCOc1cc(Br)cc2cc(C(=O)NC3CCCCC3)c(=O)oc12 211013476 LFOLMZAFPOQKOJ-UHFFFAOYSA-N 408.292 4.407 0 1 HIAF NC[C@H]1CC[C@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnn32)CC1 261189929 YTCDDUDCMFELKG-SAABIXHNSA-N 414.513 4.398 0 1 HIAF CCOC(=O)Cc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029415 OBKWDXVKQTZLLE-UHFFFAOYSA-N 417.494 4.190 0 1 HIAF Cc1c(Br)cnc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587044037 XNLAZBYYTVZJJU-LBPRGKRZSA-N 423.723 4.338 0 1 HIAF N[C@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(Br)cc1F 587142900 PZHJYFZGHMXPJP-SNVBAGLBSA-N 404.070 4.409 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3ccc(N)cc3)[nH]c2c1 587251733 MGWHKEVPBCZKSQ-MDWZMJQESA-N 420.494 4.125 0 1 HIAF Cc1[nH]c(C(=O)O)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344828 HKRJHERNVJQYLV-XXBNENTESA-N 409.413 4.449 0 1 HIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC 587378322 UKGOVLZTUZATDD-MRXNPFEDSA-N 406.276 4.454 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1cn(C)nc1C)O2 587393234 ZYMFTVVFSJRATK-JOCHJYFZSA-N 413.481 4.178 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCC(O)CC3)nc1Cl)CC2=O 587496309 VWWQCUUWPSGREE-MRXNPFEDSA-N 422.934 4.122 0 1 HIAF COc1cc(OC)c2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C(=O)O)[nH]c2c1 587523126 GZCRWXGIMSLJRY-LJQANCHMSA-N 421.449 4.469 0 1 HIAF Cc1ccnc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587739632 BUNBAFHUYRKONL-BLVKFPJESA-N 406.299 4.070 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)([C@H](C)CC(=O)O)N1 587744742 IIXJJEXGHDWUIM-HTGLOVNISA-N 421.310 4.059 0 1 HIAF COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O 587807835 NVYLYEQJNZJSMR-OVWNDWIMSA-N 410.283 4.109 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccc(O)cc3oc2=O)N1 587843946 VCOWTVOQAICGEG-FVINQWEUSA-N 418.262 4.198 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(Cl)s2)N1 587849616 UMXAUXKYDIXUJT-NZFNHWASSA-N 404.688 4.166 0 1 HIAF O=C(NC[C@H]1CCCO1)C1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1 618017108 DFEYRMGPPCEMOJ-JOCHJYFZSA-N 421.516 4.486 0 1 HIAF Cc1cccc(O)c1C(=O)C[C@@H]1CC[C@@H]2[C@H]3C(=O)c4c(C)cccc4O[C@H]3CCN12 1857534684 KNJADUGVIYKDFZ-MVTBNZFJSA-N 405.494 4.079 0 1 HIAF COC(=O)[C@]1(Cc2ccc(OC)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccccc1 1857564146 VAUVWTVBYIPBIM-RUZDIDTESA-N 422.477 4.184 0 1 HIAF CN1[C@H]2C[C@@H](OC(=O)C=Cc3ccccc3)C[C@H]1[C@H](OC(=O)C=Cc1ccccc1)C2 2356711457 ZHJUOEJQLDHSBJ-UARRHKHWSA-N 417.505 4.103 0 1 HIAF CC1=C[C@H](CN2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 2356745877 AYEOUGRRWIBUHQ-ZRBLBEILSA-N 424.589 4.233 0 1 HIAF CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2cccnc2)C3)c1 12079072 HWPHEADOEHSRLY-LJQANCHMSA-N 404.441 4.132 0 1 HIAF Cc1ccsc1CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 20581208 ZGBUADNXTQMDOL-UHFFFAOYSA-N 422.475 4.313 0 1 HIAF C[C@@](O)(c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26007480 DBNSJQYHNPJTNN-MSOLQXFVSA-N 412.704 4.034 0 1 HIAF COc1cc(C(F)(F)F)c2nc(C(F)(F)F)cc([C@@H](O)[C@@H]3CCCCN3)c2c1 27523581 GFOSNCCJLRKHLB-XJKSGUPXSA-N 408.342 4.457 0 1 HIAF Brc1cccc(Br)c1N(Cc1cccs1)C1=NCCN1 28234770 YNRQNTPYUUAQSY-UHFFFAOYSA-N 415.154 4.239 0 1 HIAF COc1cc(OC)cc(Oc2ncccc2-c2n[nH]c(Nc3cccc(O)c3)n2)c1 28530125 UZYREVCLAURCTF-UHFFFAOYSA-N 405.414 4.125 0 1 HIAF Fc1cc(F)c(-c2c(Cl)nc(-n3ccnc3)nc2NCC(F)(F)F)c(F)c1 36425140 LILWNAIAPCBLHU-UHFFFAOYSA-N 407.705 4.374 0 1 HIAF CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2cccnc2)nc2ccc(OC)cc12 45168722 GGLPNSAWEAKNAF-SHDWXSBVSA-N 403.526 4.459 0 1 HIAF O=C(O)c1cn(Cc2ccc(-n3ccc4cnccc43)cc2)c2cccc(F)c2c1=O 45368701 KNPYTSRWDFORAX-UHFFFAOYSA-N 413.408 4.226 0 1 HIAF O=C(c1ccccc1)N1CC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)C1 72101977 PBUPBHZKMWNWQA-OAQYLSRUSA-N 411.427 4.304 0 1 HIAF Nc1ncnc2c1C(=O)N(c1ccc(-c3ccc(Cl)cc3Cl)cc1)CCO2 72317385 QDUBGZSEYIQVEI-UHFFFAOYSA-N 401.253 4.072 0 1 HIAF COc1cc2nc(NCCCCCO)nc(NCC3CCCCC3)c2cc1OC 82119673 NHGLAHZNGILWGF-UHFFFAOYSA-N 402.539 4.214 0 1 HIAF CCN(Cc1ccccc1)C(=O)c1cnc(NCCCOC)nc1-c1ccccc1 82133830 QPXNSYFTWSEVPI-UHFFFAOYSA-N 404.514 4.254 0 1 HIAF O=C(O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)c(OC(F)F)c1 103250088 ITOPHTCFBLGYAI-NWDGAFQWSA-N 413.323 4.330 0 1 HIAF O=C(NCCc1ccccn1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 145588968 DYDIYBGIYVELQU-UHFFFAOYSA-N 411.465 4.380 0 1 HIAF CC(C)Nc1c(-c2cccc(N3CCOCC3)c2)nc2ccc(Br)cn12 169326071 GCBUMTGGLHPPCR-UHFFFAOYSA-N 415.335 4.421 0 1 HIAF C[C@@H](O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 169710738 FOPTWJFCLCQKIQ-KDOFPFPSSA-N 410.495 4.112 0 1 HIAF Cc1ccc(NC(=O)CSCCc2nc3cc(Br)c(C)nc3[nH]2)cc1 586969933 BPEQENFPJZPGCH-UHFFFAOYSA-N 419.348 4.252 0 1 HIAF Cc1ccc(NC(=O)CSCCc2nc3ccc(Br)c(O)c3[nH]2)cc1 586971107 UMZGPRMPQCWPDB-UHFFFAOYSA-N 420.332 4.254 0 1 HIAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCNCC4)cc3)nc3ccc(O)c1c23 586987505 BWINDYGWJLJETR-UHFFFAOYSA-N 407.473 4.228 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c3c2)cc1 587093808 HDXBTAJQENJIKB-LLVKDONJSA-N 421.375 4.271 0 1 HIAF COc1ncc(F)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 587175531 FGCRRZYMSXUTDX-UHFFFAOYSA-N 401.033 4.298 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cn5ccccc5n4)cc1)[C@@H](C2)C3=O 587435837 JGUOCTILLCSPLO-CPJSRVTESA-N 412.445 4.411 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(Cc1cc(F)c(F)cc1F)CC2=O 587465374 HXZILRVQUHPDNX-QFIPXVFZSA-N 422.399 4.272 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)c2c(C)ccc(OCC(=O)O)c21 587481529 NAHJVOXKIWYPDV-SHACYNPGSA-N 410.466 4.484 0 1 HIAF O=C(O)CC[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569771 JFVLGORJRGBERP-NZQKXSOJSA-N 408.381 4.253 0 1 HIAF C[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591999 FVLNWPXYFYMWDQ-QPPBQGQZSA-N 401.418 4.154 0 1 HIAF COc1ccc(OC)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587656828 QSJDZFZZIREYEA-UHFFFAOYSA-N 422.387 4.047 0 1 HIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc(N2CCCCC2)n1 587764283 CYTWALGZMYMRNU-BUXKBTBVSA-N 419.342 4.301 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccccc3c2O)N1 587779409 SCJDSUVTWAHDKJ-SBKAZYGRSA-N 417.278 4.345 0 1 HIAF COC(=O)c1ccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587804549 RNCMBBYVSQORNE-GIGQVBGESA-N 417.278 4.480 0 1 HIAF COC(=O)[C@H](C)[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587811429 WWOMFJRWPOFCST-YPENRWOSSA-N 420.322 4.370 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2(C(=O)O)CC2)N1 587820315 BAKBNAHCALZFPW-MPBGBICISA-N 404.279 4.231 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSCC(=O)O)(c2ccccc2)N1 587847163 RYSXZHZQGFMISX-HXPMCKFVSA-N 424.335 4.184 0 1 HIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(C)c(Br)cnc4[nH]1)(C3)C2 587949906 MUQKTGMAPYTEOK-NFAYLAGKSA-N 404.308 4.182 0 1 HIAF COc1ccc(C[C@@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653751541 LWZNAEHDKLMFEQ-HXUWFJFHSA-N 413.470 4.139 0 1 HIAF CC(C)C(=O)[C@@H]1C(=O)c2ccccc2[C@]12NC1(CC1)Cc1ccc(Br)cc12 961614272 KEJQOFWAZONQIV-AUSIDOKSSA-N 424.338 4.409 0 1 HIAF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](CC)(CSC)N2C(=O)OC(C)(C)C 962711861 QQTPNUSSPYBVGS-FGZHOGPDSA-N 423.550 4.445 0 1 HIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cn(CC(=O)OC)nc1-c1ccccc1 963236914 YFUOBXXSXLZSKA-BVZFJXPGSA-N 403.526 4.469 0 1 HIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCCN(C)C 2356489048 HYTUDZGQKPADOZ-XPWALMASSA-N 422.654 4.488 0 1 HIAF CN(C)C(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4cccc(F)c4)cn23)c1 61903396 HROMAYNINDEDRK-UHFFFAOYSA-N 402.429 4.078 0 3 HIAF O=C(c1ccoc1)N(c1ccnc(Cl)n1)C1CCN(CCc2ccccc2)CC1 1537528 DJKWPTBUCPRWCN-UHFFFAOYSA-N 410.905 4.077 0 1 HIAF CCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21 28526123 AYNNUMJKAWQWRW-UHFFFAOYSA-N 404.495 4.152 0 1 HIAF Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cncnc1 29135548 MDBBPOZQZACUGK-UHFFFAOYSA-N 400.360 4.308 0 1 HIAF CCOC(=O)CCCCCCO[C@H](COCc1ccc(OC)cc1)Cn1ccnc1 29482165 ZKRUDFHIOFBVCR-QFIPXVFZSA-N 418.534 4.007 0 1 HIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC(=O)[C@]4(C)[C@H]3CC[C@@]21C 33820833 VPDKHLKMMUNLNL-QKIUUDMISA-N 402.531 4.073 0 1 HIAF CC[C@H](C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1)c1ccccc1 40897260 NDDKHJOXHSQFAW-NFZGFZLKSA-N 414.885 4.138 0 1 HIAF O=C(C1=NC[C@@H](c2c[nH]c3c(Br)cccc23)N1)c1c[nH]c2ccccc12 40940097 YMWBNLURFIIJPC-KRWDZBQOSA-N 407.271 4.337 0 1 HIAF CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)N[C@H]1CN2CCC1CC2 45322620 DMTRKCFYVGKARW-GSXPTJSQSA-N 420.340 4.229 0 1 HIAF O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 50655856 MQFYIFZGBDXYCB-MRXNPFEDSA-N 417.962 4.328 0 1 HIAF CCOc1ccccc1-c1nc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)co1 72142272 FMXTYLPGKSYTAF-UHFFFAOYSA-N 405.498 4.265 0 1 HIAF COc1ccccc1N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72186252 KLODRAKJKIOXTR-JOCHJYFZSA-N 412.896 4.189 0 1 HIAF O=C([C@@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 95559268 IAJQUJNBYYGCQD-OFNKIYASSA-N 402.425 4.343 0 1 HIAF CC(C)c1ccc(CN2CCN(C(=O)CC34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)CC2)cc1 100682500 MDQNLWQFPXRGJH-FPMFRTRJSA-N 410.602 4.176 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@]12C 100700336 WNENMRZSIGSSCW-VXNVLSRGSA-N 400.607 4.190 0 1 HIAF COc1cc(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)cc(Cl)c1OC 115597628 YLQQSBKVRVVRGE-WYMPLXKRSA-N 413.905 4.469 0 1 HIAF CCNC(=O)Nc1nc2cc(-c3cnc([C@@H](C)O)nc3)cc(-c3ccccn3)c2s1 144658362 HFBFHSCEHRGIBX-GFCCVEGCSA-N 420.498 4.010 0 1 HIAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccc4cn[nH]c4c3)nn3ccnc23)n1 207348617 WEVYXRIMMPJRKN-HNNXBMFYSA-N 410.485 4.400 0 1 HIAF CC(C)NCCCn1cnc(N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc1-2 299862612 JXZICEAMGFPHHC-UHFFFAOYSA-N 411.362 4.206 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(OC(C)C)cc4[nH]3)CC2)cc1 586954528 FAOCYGTXJVYRBK-UHFFFAOYSA-N 413.543 4.227 0 1 HIAF C[C@H](O)c1ncc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)s1 587021230 GKCWQLVSHUOKFO-YFKPBYRVSA-N 408.199 4.401 0 1 HIAF COc1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2n1 587021482 OBYXNIVMUYISGH-UHFFFAOYSA-N 400.467 4.896 0 1 HIAF Brc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cn1 587029262 MLZZXYYCWWTGNG-UHFFFAOYSA-N 411.288 4.242 0 1 HIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 587038802 BPINBHWETQNTSC-JTQLQIEISA-N 402.289 4.447 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587043927 UWXCJCQQDSERBC-CQSZACIVSA-N 407.417 4.267 0 1 HIAF CCOc1ccccc1[C@](N)(c1nc2cc(C(F)(F)F)cnc2[nH]1)C(F)(F)F 587092497 NUONMNDDIVSVKM-HNNXBMFYSA-N 404.314 4.140 0 1 HIAF Fc1cnc(Br)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc12 587117632 HGQJKDLKFBACOY-UHFFFAOYSA-N 404.165 4.001 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1=C(N3CCOCC3)/C(=C\c3ccccc3)CC1)O2 587397972 DCJKDPODRODCEC-JQCGEVGXSA-N 416.521 4.375 0 1 HIAF C[C@]1(c2ccc(NC(=O)/C=C\C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514943 YODHTAXTYYBCBR-JPFBCYGGSA-N 405.450 4.025 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(F)c2)c1 587571678 OFXBHOWSXFTYLX-NFBKMPQASA-N 402.381 4.420 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(Cc1ccc3c(c1)OCO3)C2 587612047 TWIXABXDHUIDNK-PMBLGMBLSA-N 416.429 4.474 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCC1OCCO1)C1CC1 587615297 GMZLPUOYASZVFM-URXFXBBRSA-N 410.466 4.436 0 1 HIAF CCOc1ccccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656559 NBVKAIMAMSDBJQ-UHFFFAOYSA-N 406.388 4.429 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=O)C3CCCC3)c(=O)c3ccccc23)c(O)c1 587665980 VPXTWHAIASAAQF-UHFFFAOYSA-N 405.498 4.446 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587723432 WXDKHBYGXFIDCW-ZAUAHCAUSA-N 416.306 4.409 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3cccc(CO)n3)CCC2)N1 587773702 RIUVZTBGIPTISD-YEJXKQKISA-N 417.322 4.473 0 1 HIAF COC(=O)c1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587805350 TVJYXPOOXDKJLN-DGIBIBHMSA-N 417.278 4.480 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2nccn2C)N1 587850984 HDZLSWRETNOYKO-VOJFVSQTSA-N 406.324 4.209 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCO[C@@H]1c1ccccc1 587867251 AISKSSYSNYAUMA-HNAYVOBHSA-N 417.387 4.391 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)NC(=O)OCc1ccccc1 587871111 AEPRJMJOGXRTSZ-OAHLLOKOSA-N 411.433 4.043 0 1 HIAF COC(=O)[C@@H](Cc1cccc(Cl)c1)[C@@]1(C)NCCc2cnc3c(OC)cccc3c21 963054241 HYCSGBOVNKTEGQ-NTKDMRAZSA-N 424.928 4.290 0 1 HIAF C[C@]1(c2ccc(O)c(F)c2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963174379 GJSRBUMHGUNFQO-WMLDXEAASA-N 403.759 4.066 0 1 HIAF O=C1N[C@@H](Cc2ccccc2)c2nc3cc(F)ccc3c(=O)n2-c2ccc(Cl)cc21 36389187 NWFUBRHJULWSPP-IBGZPJMESA-N 419.843 4.205 0 3 HIAF C[C@H](CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2Cc1ccc(F)cc1)C(F)(F)F 61908806 ACBFZUKIYPITFH-GFCCVEGCSA-N 409.383 4.054 0 3 HIAF COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@H]1c1cccc(Cl)c1 95600669 XCKCRMXOQKWBBV-SFHVURJKSA-N 404.894 4.358 0 3 HIAF CCOC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(-c3ccc(F)cc3)n2n1 3595289 SDBPDLCRRBKCGI-NBVRZTHBSA-N 402.429 4.112 0 1 HIAF Cc1c(C(=O)c2cccnc2)oc2cccc(OCCCNCc3cccnc3)c12 13479547 ULKULPGKQKLXMX-UHFFFAOYSA-N 401.466 4.321 0 1 HIAF O=C(OCOCCN1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 26380798 HEMOQKNIQDRANN-UHFFFAOYSA-N 416.345 4.045 0 1 HIAF COc1cc2oc(=O)cc(COC(=O)/C=C/c3ccc(Cl)cc3)c2cc1OC 26392931 LGXLHBUODZHLGT-VMPITWQZSA-N 400.814 4.220 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(Br)=C[C@@H]2Cc2ccccc2)cc1 28704341 BEYUGVHCADEWKV-SFHVURJKSA-N 406.345 4.280 0 1 HIAF CCOCCOCCOc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 28712059 UBOXNQVQQADXLL-UHFFFAOYSA-N 402.535 4.209 0 1 HIAF CCOc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(F)cc3F)n2C)cc1 29124596 DOCIFZMQKHGFRR-GFMRDNFCSA-N 403.454 4.177 0 1 HIAF CCN(CC)c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1 34341550 UTGGEGWCQFMLAP-HNNXBMFYSA-N 407.923 4.003 0 1 HIAF Nc1cncc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1 40379823 CAHUBNSLSZABNQ-UHFFFAOYSA-N 415.297 4.139 0 1 HIAF CC(C)C(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(CO)C(=O)O)[C@H]2CC[C@@H]1C3 70455268 FSQYXTHPPSJGNG-IFNKBIAVSA-N 406.563 4.272 0 1 HIAF biogenic,in-vitro CN(C)S(=O)(=O)c1cccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c1 72110840 WGAOJZNEXJDBEO-QHCPKHFHSA-N 416.587 4.266 0 1 HIAF Fc1ccc(CCNc2ncnc3c2nc(C2CC2)n3CCc2ccccn2)cc1 82187615 CHCDFXORSFYDBP-UHFFFAOYSA-N 402.477 4.135 0 1 HIAF Cc1nc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)cs1 84602692 PFHPPXLJMQLSRQ-UHFFFAOYSA-N 419.554 4.288 0 1 HIAF O=C(O)[C@H]1CC(=O)N(c2ccc(C[C@H](C(=O)c3ccccc3)c3ccccc3)cc2)C1 84633802 PGUKAFBSUIWYBS-GMAHTHKFSA-N 413.473 4.333 0 1 HIAF CCCN1N=C2/C(=C/c3ccc(OC)cc3)C[S@@](=O)C[C@H]2[C@H]1c1ccc(OC)cc1 100789054 QIQPCXWPRNOEQS-UMAJMICGSA-N 424.566 4.289 0 1 HIAF CCOc1cccc(C2(N3CCN(c4ccc(Cl)nn4)CC3)[C@H]3CC(C)C[C@@H]32)c1 101685216 ABMVPPVIAHIGQO-ZSUCBCTDSA-N 412.965 4.222 0 1 HIAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1=C[C@H](N)CCC1 139467238 MLNODNXTIGLDGC-CQSZACIVSA-N 421.451 4.151 0 1 HIAF COc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)[C@H]1CC1(C)C)CC2 144059277 LYQGYKUZIRXZMC-LJQANCHMSA-N 411.473 4.059 0 1 HIAF COc1ccc(CN2C[C@@H]3CCC[C@@H](N4CCCC4)[C@@H]2CN3Cc2ccccc2)cc1 169352440 QGHZKNVBZNJZGF-OIKPOIBNSA-N 419.613 4.399 0 1 HIAF CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)ccn1 169709391 ZMYKRMOVAAJLKS-HTAPYJJXSA-N 409.530 4.114 0 1 HIAF CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2CC(C)(C)NC[C@H]2C)cc1 253639547 HAILLLUQXQOSOC-NTKDMRAZSA-N 423.601 4.339 0 1 HIAF O=S(=O)(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2)N1CCOCC1 261133504 LPXBZYACXYOFTH-ALQCLRNSSA-N 424.566 4.004 0 1 HIAF COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cccs1 299876847 GIWCDOJDPKANIO-LLNONLJQSA-N 403.500 4.153 0 1 HIAF COC(=O)c1cc2nc(-c3cnc([C@H](C)O)s3)[nH]c2c(F)c1Nc1ccccc1 587021244 GPJQSFMMACOYOI-JTQLQIEISA-N 412.446 4.409 0 1 HIAF Cc1cc(-c2nc3c(O)nccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061976 QRROPKFCTQNHEH-UHFFFAOYSA-N 404.861 4.394 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3cccc(OC)c3[nH]2)[C@H]1c1ccccc1Cl 587062143 CISJFTYHLMYPHT-YCRPNKLZSA-N 413.905 4.319 0 1 HIAF Cc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)nnn1Cc1ccc(Cl)cc1 587073353 GQXREFFTQALPEA-UHFFFAOYSA-N 403.776 4.153 0 1 HIAF CC(C)Oc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587188670 VFYCFXOAWPQURW-UHFFFAOYSA-N 418.238 4.269 0 1 HIAF C[C@@H]1Nc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O 587343758 DIVCBXGXHJANCV-KYEGHIGRSA-N 403.409 4.169 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(Br)cc1C)O2 587375734 FWACDYXHBWBKDP-FQEVSTJZSA-N 418.287 4.374 0 1 HIAF CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431729 QUFDLIXHKUZDGC-MZNJEOGPSA-N 405.450 4.178 0 1 HIAF COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441770 IOQRABORRAIITK-CJFMBICVSA-N 416.429 4.093 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@@H]1CN(C)CCO1)CC2=O 587463835 YZLPYGAPSNGAIL-JTHBVZDNSA-N 415.917 4.189 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1ccnc1)c1cccc(F)c1 587572056 QWGMJDSTIALULU-ZJSXRUAMSA-N 416.408 4.285 0 1 HIAF COc1ccc2[nH]c(O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587588157 JSJVQFYVMADNCB-KNQAVFIVSA-N 403.390 4.291 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)nc2/C=C/N(C)C)N1 587756131 QBDSHCFOIDYFLN-AOYAVIPXSA-N 420.326 4.019 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccccc3c2O)N1 587779407 SCJDSUVTWAHDKJ-CFMSYZGJSA-N 417.278 4.345 0 1 HIAF NS(=O)(=O)c1cccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587957886 ZOGMIJWLZPTPLZ-UHFFFAOYSA-N 409.552 4.129 0 1 HIAF COc1cc2[nH]c(C(=O)O)c([C@H]3NCCc4c(Cl)cc(Cl)cc43)c2cc1OC 963100615 BSUDSQJQJURHNW-SFHVURJKSA-N 421.280 4.425 0 1 HIAF CCOC(=O)[C@]1(c2ccc(Cl)cc2C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963631502 DNCSBYBCFJINMQ-RCDICMHDSA-N 403.906 4.007 0 1 HIAF Cc1nnc2c(Nc3ccc(CNC(=O)OC(C)(C)C)cc3)nc3ccccc3n12 1772601495 VSXWYTJMQYONNI-UHFFFAOYSA-N 404.474 4.354 0 1 HIAF O=C1NC(c2ccccc2)=C[C@H](c2ccc([C@H]3C=C(c4ccccc4)NC(=O)N3)cc2)N1 1857773267 CPGKHSONSBIZQK-DNQXCXABSA-N 422.488 4.477 0 1 HIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCC(=O)OCC 2356457302 LNTDXQBTXGZQAB-HKBOAZHASA-N 423.594 4.099 0 1 HIAF COc1cc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc(OC)c1OC 2468491 PDUNEZHAPMCMTC-VLIAUNLRSA-N 404.850 4.135 0 1 HIAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 4050847 HYVOCIKAAIMKKV-INYSMAPRSA-N 408.542 4.425 0 1 HIAF CO[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28563117 XCTRZHKSHWYFCX-UNMCSNQZSA-N 407.466 4.401 0 1 HIAF O=C(O)C[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 35932936 HMEJFKBSLZUVMF-GHMZBOCLSA-N 409.294 4.449 0 1 HIAF COc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1ccc(F)cc1F 72141136 BMZOCRBYYHMBLP-UHFFFAOYSA-N 410.376 4.030 0 1 HIAF Fc1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc21 84604330 SFDBYELGYJKPAZ-UHFFFAOYSA-N 423.517 4.119 0 1 HIAF O=C(Cc1ccc(Br)cc1)Nc1ccc(Oc2ncnc3[nH]ncc23)cc1 95589380 RGMYTZVNRAGGPE-UHFFFAOYSA-N 424.258 4.089 0 1 HIAF Clc1cc(N(c2ncccn2)c2n[nH]c3cccnc23)ccc1Oc1ncccn1 167037595 ALFNOINJYBDOSD-UHFFFAOYSA-N 416.832 4.453 0 1 HIAF O=C(O)c1ccc(-n2c(O)c3c(c2O)[C@H](c2ccccc2)N(c2ccccc2)O3)cc1 169728051 ADSGUXIUVFERPT-FQEVSTJZSA-N 414.417 4.490 0 1 HIAF CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O 195329422 QIZIQMNNPOJZNE-SRABZTEZSA-N 411.479 4.053 0 1 HIAF Fc1cccc(COc2cncc(-c3ccnc4[nH]c(C5=CCNCC5)cc34)n2)c1 226039982 VJOYYQXJOSWXQP-UHFFFAOYSA-N 401.445 4.115 0 1 HIAF COc1ccc(NC(=O)NC2CCN(c3cc(C)nc4ccc(F)cc34)CC2)cc1 299862674 KAMQHTIFHKQHNP-UHFFFAOYSA-N 408.477 4.481 0 1 HIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccnc(Br)c3[nH]2)c1 586915370 KPRMTSDDVXZGLO-UHFFFAOYSA-N 410.227 4.489 0 1 HIAF CC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 587239297 JCJCLNBCCOZZTP-KFCXZAFISA-N 413.518 4.321 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](CO)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 587345271 ILKQPJQBKZQMPP-VWNXMTODSA-N 403.409 4.259 0 1 HIAF C[C@@]1(c2ccccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349082 PGRVZOVRDGNSDF-UPVQGACJSA-N 422.408 4.269 0 1 HIAF O=C(O)C[C@@H]1CCc2occc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349612 FUEWDZKYICDFJE-BEYHJKFUSA-N 422.408 4.416 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1c(C)nc(-c4ccccc4)nc1S)[C@@H](C2)C3=O 587452205 MXXUUIBSPDFBDO-HJPURHCSSA-N 404.491 4.412 0 1 HIAF COC(=O)c1ccc(COc2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)o1 587456138 SALMYJYYMRIKKG-WZONZLPQSA-N 420.417 4.143 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCN1CCCC1=O)CC2=O 587475100 LUTXDLOWJVVKDV-JOCHJYFZSA-N 409.482 4.052 0 1 HIAF CN(C)CCCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571794 MEEJIEDUFPPDPV-RCZVLFRGSA-N 419.477 4.426 0 1 HIAF C[C@@]1(c2cccc(N3CCC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583318 RPYYZPBZBSIAQI-QPPBQGQZSA-N 401.418 4.006 0 1 HIAF O=Cc1ccnc(-c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccn2)c1 587588828 SLTXUHBMAOFFIA-RDGATRHJSA-N 424.412 4.365 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587791244 KNHQTPDEXANJML-MLCYQJTMSA-N 417.278 4.480 0 1 HIAF COC(=O)[C@@H]1CC[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587808815 PHHOVHZMNZNEBI-RWCMSOCESA-N 418.306 4.416 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc(N)sc3c2)N1 587856046 HYJGCQCCEVXFPV-DYBLOJMWSA-N 406.324 4.578 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(F)cc2)n1 587870149 ARDKATSBYPCNEB-UHFFFAOYSA-N 424.407 4.149 0 1 HIAF COc1cccc2c1OCC[C@]21c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962636719 OHZLYBVHRTYTCM-AMGIVPHBSA-N 412.533 4.468 0 1 HIAF Cc1cccnc1[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963419250 SUPVEUUKPCEYCG-REWPJTCUSA-N 411.461 4.112 0 1 HIAF Cc1cncc(C(=O)Nc2cccc(CN3CC[C@H](C(=O)NC(C)(C)C)C[C@@H]3C)c2)c1 1772627438 OMWQVOVCNGTWTM-ICSRJNTNSA-N 422.573 4.158 0 1 HIAF CCOc1ccc(Cl)cc1[C@H](C)NC(=O)N(C)S(=O)(=O)c1ccc(C)cc1 1857633318 NQHPCOOGQYUKRG-AWEZNQCLSA-N 410.923 4.138 0 1 HIAF C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC4CCCCC4)c21)C[C@H](C(C)(C)O)O3 2356734919 JBKBYZSYPZDKAR-HXUWFJFHSA-N 414.498 4.325 0 1 HIAF Cc1ccc(C(C)C)c(OCC(=O)N2N=C3CC[C@@H](C)C[C@@H]3[C@@]2(O)C(F)(F)F)c1 4172202 ADWUUUJQYFCWKJ-JOTOCRJQSA-N 412.452 4.383 0 1 HIAF O=C1CCCC[C@@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22927465 PFWYQMRPYJCLKX-XMMPIXPASA-N 406.570 4.170 0 1 HIAF C/C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 26292232 NMJFVCKFWDELPC-CWTHKBIUSA-N 414.454 4.082 0 1 HIAF O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCCCc1ccccc1 27187395 QNBPTJBTPTYDEV-CXMUWEKQSA-N 411.501 4.343 0 1 HIAF COC[C@H](CNCc1ccc(Cl)c(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1 40914776 JSBXBMQMXXLBRT-OAHLLOKOSA-N 420.340 4.299 0 1 HIAF Cc1cc(OC[C@@H]2CCCN(c3ncc(C(=O)NC4CC4)cc3Cl)C2)ccc1F 45202201 TXOPYJDBARLWHL-OAHLLOKOSA-N 417.912 4.370 0 1 HIAF Cc1cc(OC[C@H]2CCC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)ccc1F 118680019 CFMVZRSEANQYHW-MOPGFXCFSA-N 422.504 4.425 0 1 HIAF CO[C@@H]1CCCN(C(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 143099857 VBMBLEBVOTXJTF-LJQANCHMSA-N 404.470 4.264 0 1 HIAF O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccc(Cl)cc2c1N1CCOCC1 144267058 ZZTZWHWTKHWXMK-UHFFFAOYSA-N 423.321 4.211 0 1 HIAF CCN(CC)c1ccc(Cc2c(Cc3ccc(OC)c(OC)c3)nc(N)n2C)cc1 169350613 LWQLWEALYRYMIZ-UHFFFAOYSA-N 408.546 4.047 0 1 HIAF Oc1c2c(c(O)n1-c1ccc(I)c(Cl)c1)[C@H]1CC[C@H]2O1 169727203 WXMHIDODJHKFEP-NXEZZACHSA-N 403.603 4.053 0 1 HIAF Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@H](CC(=O)O)CC(C)C 207649654 JFRYMSPHKQUUCG-GOSISDBHSA-N 415.534 4.221 0 1 HIAF O=C(OCCF)[C@@H]1[C@@H](c2ccc(Br)cc2)C[C@H]2CC[C@H]1N2CCCF 253837865 XXLBWUCJODELRH-BRSBDYLESA-N 416.306 4.258 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@@H]4CCCO4)n3)c(Cl)cn2)CC1 261152784 PHHPXJDRQAFCBI-JYJNAYRXSA-N 401.942 4.070 0 1 HIAF O=S(=O)(Cc1nc(-c2cccnc2)c2sccc2n1)c1cccc(Cl)c1 299835622 MCTYHDOOCZSUSJ-UHFFFAOYSA-N 401.900 4.381 0 1 HIAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 299839167 QLQBPEPFYIFMGI-UHFFFAOYSA-N 417.767 4.128 0 1 HIAF COc1cc2c(cc1OC)CN(C(=O)CC[C@H]1CCCc3c(OC)cccc31)CC2 299841257 YVHZXHYBMOMGNV-QGZVFWFLSA-N 409.526 4.497 0 1 HIAF O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3cnoc3)cc1)CC2 299868618 RXNRQIUYCCJPMN-UHFFFAOYSA-N 408.889 4.164 0 1 HIAF Fc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1Br 586966660 INCBIIFUDNJIFC-UHFFFAOYSA-N 406.240 4.202 0 1 HIAF O=C1COc2cc3[nH]c(COc4ccc5ccccc5c4Br)nc3cc2N1 587002197 VBMKQIXLWIRDRR-UHFFFAOYSA-N 424.254 4.389 0 1 HIAF Clc1ccc(C2=C[C@H](c3nc4cccc(I)c4[nH]3)ON2)cc1 587076482 LZUCEEQXDPWMSD-CQSZACIVSA-N 423.641 4.438 0 1 HIAF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(O)c3[nH]2)CC1 587092740 XMMDELLYUGPSJF-UHFFFAOYSA-N 415.412 4.074 0 1 HIAF C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1-c1ccccc1C3=O 587102980 CBAATIQSQYEYOJ-KLRZVPDASA-N 410.473 4.436 0 1 HIAF Nc1ccc(Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cn1 587254834 QNARHAHBMOHRGU-UHFFFAOYSA-N 411.387 4.402 0 1 HIAF COc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587386300 VGHWIKRRKZUGAS-XMMPIXPASA-N 421.424 4.332 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(C)=O)c(Br)c1)[C@@H](C2)C3=O 587413798 QLIRFOXWIHLYPH-VBKZILBWSA-N 416.271 4.079 0 1 HIAF CCc1cc(=O)oc2cc(O[C@H](C)[C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc12 587454830 YUJYDHNSNGQKQY-DYBPWFRYSA-N 420.461 4.338 0 1 HIAF CC(=O)Nc1ccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587510334 GKYALWHHZVDIRY-DEOSSOPVSA-N 406.482 4.277 0 1 HIAF COc1ccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587514218 WDKDVLOSXCTPRB-XMMPIXPASA-N 409.482 4.335 0 1 HIAF CN(C)/C=C\[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567479 ASIJWHKIMYANKD-AFUZNKLUSA-N 405.425 4.464 0 1 HIAF COc1ccc2[nH]c(O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587588158 JSJVQFYVMADNCB-SIKLNZKXSA-N 403.390 4.291 0 1 HIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC 587590325 BWZOWQVOBQNUQN-NTKDMRAZSA-N 422.433 4.295 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccco1)c1ccco1 587616423 JUBWEOXJHXEHGA-AUSIDOKSSA-N 402.358 4.318 0 1 HIAF CCOC(=O)c1cn(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)nn1 587628547 VCWHVPGWCCMHPV-UHFFFAOYSA-N 406.286 4.271 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(Cl)cc3)n2)N1 587700237 SQBQDKJFQFQCDB-XTZNXHDOSA-N 421.701 4.446 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(F)c(Cl)cc12 587728673 FVBBUSGJDJLEPT-SKLCBMLGSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCCN(C)C)c2)N1 587741182 MFBVPXYDQLDOMH-SPLOXXLWSA-N 421.354 4.326 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(C(N)=O)CC[C@@]2(C)C3(C)C)N1 587747285 LLEZDJSDKVORTB-WLPYNXSRSA-N 409.343 4.019 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587795950 YYDXKENUZMSGIL-DYBLOJMWSA-N 409.299 4.333 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cncc(Br)c1 587867100 SIKXISCYIAQEQN-UHFFFAOYSA-N 413.197 4.178 0 1 HIAF Cc1[nH]c2ccccc2c1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963134165 CWJICYCSZMZTAF-WBVHZDCISA-N 413.499 4.269 0 1 HIAF CC(C)(C)OC(=O)N1CCc2ccc([C@]3(C)NCCc4ccc(O)cc43)cc2CC1 963329343 MJAMPTUHTVRVDL-VWLOTQADSA-N 408.542 4.137 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(F)cc2)C(=O)OC)cc1 1772643749 AYRYEYLUDKEVTH-OPAMFIHVSA-N 401.478 4.214 0 1 HIAF Fc1cccc2c1[C@@H](C1CCN(c3ccc(N4CCOCC4)cc3)CC1)n1cncc1-2 1857535073 SACYRIVKHXSDPC-RUZDIDTESA-N 418.516 4.345 0 1 HIAF Cc1cnc(Nc2ccc(S(C)(=O)=O)cc2)nc1Nc1nc2ccccc2s1 1857594539 JDLWXFAHNYGPKR-UHFFFAOYSA-N 411.512 4.285 0 1 HIAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCCC(=O)O)[C@@H](O)C[C@@H]1O 2356345446 RARJQAOGTFMPFZ-XWUOBKMESA-N 402.572 4.406 0 1 HIAF CC(=O)OCC1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1[C@H]3OC(C)=O 2356594675 YJYOZRWDYXVENI-OVAWWZGASA-N 418.530 4.125 0 1 HIAF O=C(c1ccccc1)c1ccc(OC[C@H](O)CN[C@@H]2CCCc3ccccc32)cc1 3446509 LVUSIYDZJCXTSI-RCZVLFRGSA-N 401.506 4.325 0 3 HIAF O=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3cccs3)CC2)cc1 59924874 VIZBUQGNUKLRKQ-UHFFFAOYSA-N 407.539 4.117 0 3 HIAF Cc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1N1C[C@H](C)O[C@H](C)C1 199270992 SRBIYLSAQZUJGW-GBESFXJTSA-N 403.567 4.054 0 3 HIAF CC1(C)C[C@H](NCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 2486645 HQDRJBXWLWAFGM-QHCPKHFHSA-N 421.585 4.294 0 1 HIAF COc1ccc(CCCCNCCOc2cc(F)cc3c2OCC[C@H]3OC)cc1 13780383 HOVRYHTZACBVKI-OAQYLSRUSA-N 403.494 4.296 0 1 HIAF CO[P@@](=O)(C[C@@H](O)CC(=O)O)NCc1c(C)cc(C)cc1-c1ccc(F)c(C)c1 13889716 WPYBYIGKEPCPQJ-ADKRDUOOSA-N 423.421 4.183 0 1 HIAF O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCCCc1ccccc1 27187390 QNBPTJBTPTYDEV-OVKIHRCZSA-N 411.501 4.343 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(Br)=C[C@H]2Cc2ccccc2)cc1 28704343 BEYUGVHCADEWKV-GOSISDBHSA-N 406.345 4.280 0 1 HIAF Brc1cccc[n+]1CCCCCC[n+]1ccccc1Br 36382675 ODYDIEWWHZGRKG-UHFFFAOYSA-N 400.158 4.047 0 1 HIAF C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc2c(c1)S(=O)(=O)c1ccccc1N2 45230814 YRMWHBYBFCTAFY-VGOFRKELSA-N 422.550 4.221 0 1 HIAF COc1cccc(-c2cccc(-n3cc(-c4ccc5c(c4)CCNC5=O)c(N)n3)c2)c1 45374164 AEWVQURONHNXMU-UHFFFAOYSA-N 410.477 4.083 0 1 HIAF CC[C@@H](C)C(=O)O[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 48015902 PCZOHLXUXFIOCF-XTISCQJGSA-N 404.547 4.196 0 1 HIAF O[C@@H](c1ccc2c(c1)OCO2)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 82078304 KIWNFDKKDNXCDH-AWEZNQCLSA-N 413.352 4.250 0 1 HIAF Cc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2C[C@H]2CCCO2)o1 82180305 UAIAXLATWHOWJW-GOSISDBHSA-N 403.486 4.494 0 1 HIAF O=C(Nc1ccc(Cl)cc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1ccccc1)C2 103097117 LDGUADLRFWCPDN-DZFIZOCASA-N 404.919 4.341 0 1 HIAF CCCN(CCC(=O)N[C@@H]1CCCc2ccccc21)C(=O)c1cc(OC)cc(OC)c1 136629946 ROZUQMUUSMFXPX-HSZRJFAPSA-N 424.541 4.140 0 1 HIAF CSc1nn(-c2ccccc2)c2cc(N3CCN(c4ccccn4)CC3)ccc12 164909669 GAEULIXJJZPUOP-UHFFFAOYSA-N 401.539 4.469 0 1 HIAF O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCC2(CCC2)CC1 169305339 PPYRWXXKWREOAS-UHFFFAOYSA-N 405.545 4.243 0 1 HIAF O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 169333652 ZBHWEQBYQZULIB-UHFFFAOYSA-N 402.450 4.201 0 1 HIAF Cc1nn(Cc2ccc(NC(=O)c3cccc4c3CCCC4)cc2)c(C)c1CC(=O)O 169703998 VTUHGOLIZSTTOB-UHFFFAOYSA-N 417.509 4.306 0 1 HIAF CC(C)(CO)NC(=O)[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1 257910687 RIKBHTBZXBFBQC-HDJSIYSDSA-N 409.452 4.256 0 1 HIAF CCCCc1cc(=O)oc2cc(OCc3nc4cc5nc(O)[nH]c5cc4[nH]3)ccc12 586918848 QZBRXYRJMCDMTG-UHFFFAOYSA-N 404.426 4.173 0 1 HIAF CCc1ccc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc2c1 586944726 VEQXBLWTMMJKNC-UHFFFAOYSA-N 411.552 4.375 0 1 HIAF COc1cc(Br)c([C@@H](N)c2nc3ccc(Cl)c(C)c3[nH]2)cc1OC 586974059 BAOKOQVLABFWHM-OAHLLOKOSA-N 410.699 4.353 0 1 HIAF Nc1c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)sc2cc(Br)ccc12 587032131 RKUHLKPANKEZGL-UHFFFAOYSA-N 424.301 4.036 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(Cl)cnc(Cl)c4[nH]3)cc12 587037170 FGXCCQLJIQXOHE-ZETCQYMHSA-N 409.302 4.012 0 1 HIAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccnc(Cl)c2[nH]1 587168152 TVAWWOUDYMUAJW-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc(C)cc4C)c1)[C@@H](C2)C3=O 587430368 DTRSJPHKSHPIBI-CYFREDJKSA-N 404.466 4.054 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(Cl)cc3)nn2)N1 587702814 WSEDOCBWHNZKEK-MGNBDDOMSA-N 421.701 4.446 0 1 HIAF COC(=O)N(C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 587739133 FZQDNTWFRFIVBG-KZULUSFZSA-N 407.283 4.437 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3=O)cc2)N1 587768086 SRVXIQKQWDVKQH-ODXCJYRJSA-N 403.295 4.339 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3CCOCC3)c2)N1 587775758 UTZFXJAZFSEVJL-XCLFUZPHSA-N 405.311 4.048 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587802337 LGWIPMZBKZBJHZ-UGZDLDLSSA-N 407.283 4.037 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](N)Cc1ccccc1 587858131 DBLQGYRAUVZTBT-KRWDZBQOSA-N 404.297 4.466 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(Cl)cc1C(=O)O 587864853 MPTDOCHLDSZCCQ-UHFFFAOYSA-N 412.755 4.098 0 1 HIAF CCc1ccccc1OCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867621 LJZSWTNYRLPWPK-UHFFFAOYSA-N 405.376 4.254 0 1 HIAF CC(=O)c1ccc2c(c1)[C@H](c1cncc(C)c1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962639734 WHGXJSMHFJNUMG-LEWJYISDSA-N 424.497 4.237 0 1 HIAF CC(C)c1nn(C)c2c1[C@](c1ccccc1)(c1ccc(CN3CCC3)cc1)NCC2 962918295 NYIHAGWJLFUYKZ-SANMLTNESA-N 400.570 4.187 0 1 HIAF Cc1ccc(Cl)nc1[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962918433 ITWIPQCULWUFSX-RXVVDRJESA-N 410.857 4.230 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cccnc1NC(=O)OC(C)(C)C 963058040 QDSOXTVPYBVTAB-HXUWFJFHSA-N 406.486 4.221 0 1 HIAF O=C(O)c1ccc(-n2cc(CNc3ccc(CCO)cc3)c(-c3ccccc3)n2)cc1 1772612662 AXWNALCVTAQEDI-UHFFFAOYSA-N 413.477 4.384 0 1 HIAF CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc21 1772641817 ZYDSDRZMIWGATN-CVEARBPZSA-N 414.945 4.068 0 1 HIAF COc1ccccc1C(=O)N[C@@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O 199411698 DQLQVRZTASZGNB-GOSISDBHSA-N 420.431 4.025 0 3 HIAF COc1cccc(-c2cnn(C(C)(C)C(=O)NCc3cccc(C(F)(F)F)c3)c2)n1 205214728 LSAJSDJGJAFBPK-UHFFFAOYSA-N 418.419 4.024 0 3 HIAF CCOC(=O)C1=C(N)OC2=C(CCC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 4023879 RRJLACOPSRNMEB-SFHVURJKSA-N 417.502 4.024 0 1 HIAF biogenic CC[C@H](C)C(=O)O[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 27523307 PCZOHLXUXFIOCF-LQFUZOPXSA-N 404.547 4.196 0 1 HIAF CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc21)C(=O)C(=O)N[C@H](C)c1ccccc1 28524862 DQSSVNLGIWUXRQ-WTNAPCKOSA-N 422.525 4.405 0 1 HIAF c1ccc(CNCc2ccc(CC3CCNCCCCCCCNCC3)cc2)nc1 34011053 PMGQWFFOFZQXSJ-UHFFFAOYSA-N 408.634 4.454 0 1 HIAF CCCCN(Cc1ccccc1C)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40916443 ZFOSIBFBXNSJNE-HSZRJFAPSA-N 414.500 4.055 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(Nc3ccc(F)cc3)n2)cc1 43120313 DWMAISJTXXFAIB-UHFFFAOYSA-N 411.380 4.449 0 1 HIAF Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc(Cl)c3)cc2)no1 45495391 LYDXXLGHMMRJGR-UHFFFAOYSA-N 422.919 4.246 0 1 HIAF Clc1cc(Nc2nc(NC3CC3)c3sccc3n2)ccc1N1CCOCC1 63540162 AMEJAXGXJBKLDC-UHFFFAOYSA-N 401.923 4.499 0 1 HIAF O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@@H](O)CNCc1ccccc1 73163300 YXVLQOAEEYUXRD-QFIPXVFZSA-N 407.485 4.171 0 1 HIAF O=C(O)[C@@H]1CC(=O)N(c2ccc(C[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)C1 84633796 PGUKAFBSUIWYBS-FYYLOGMGSA-N 413.473 4.333 0 1 HIAF CC[S@](=O)C(=O)N(CCCC[S@](C)=O)Cc1ccc(-c2ccccc2)cc1 96930142 PVJJMDLDEBSCNI-KAYWLYCHSA-N 405.585 4.203 0 1 HIAF COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cccc(OC)c3)cc2)cc1 100101413 FMOYLVWKHFTQAS-GPOLMCQNSA-N 400.522 4.311 0 1 HIAF Cc1cn(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c2ccccc12 100632633 LZGIKPSDNVRPPX-KXBFYZLASA-N 405.523 4.028 0 1 HIAF COc1cccc2c1ncc1c(=O)n(-c3ccc(C)cc3)c(=O)n(C3CCCC3)c12 117784306 FOCBXVWTIKRGEO-UHFFFAOYSA-N 401.466 4.133 0 1 HIAF CSc1ccc2cc(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)[nH]c2c1 150038009 CXALXWSKLQJHRX-UHFFFAOYSA-N 402.483 4.073 0 1 HIAF CCN(CC)CC(=O)Nc1cc(OC)c(OC)cc1Cc1nccc2ccccc12 169323658 RYVQMOWIOQHWMV-UHFFFAOYSA-N 407.514 4.123 0 1 HIAF Nc1nc(-c2cccc(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)c2)c[nH]1 169330092 PRVLIMGSXJLRTK-UHFFFAOYSA-N 401.348 4.291 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(C(F)(F)F)cc3F)C2)cc1 169709752 VKTABXOPAHDGSQ-YVEFUNNKSA-N 411.399 4.094 0 1 HIAF Cn1cc(-c2cccc3ncccc23)c2ccc(S(=O)(=O)Nc3ncns3)cc21 205422125 FVLWULJPDVDJPT-UHFFFAOYSA-N 421.507 4.046 0 1 HIAF CCc1ccccc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 220213992 GKLZUEQVSMEYJV-UHFFFAOYSA-N 401.513 4.037 0 1 HIAF Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccc4ncccc4c3)c3ccccc32)on1 299854575 AFOAKZHLIBRKFA-DEDYPNTBSA-N 410.433 4.100 0 1 HIAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Cl)cc(F)c2[nH]1 586954002 XGVLXPYDRIUWLJ-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF Cc1cnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2c1 586968655 BSSMLCMUKJZBPS-GASCZTMLSA-N 420.542 4.115 0 1 HIAF CCOc1cc(/C=C/c2nc3nc(Cl)c[nH]c-3n2)cc(Br)c1OC 586978141 MFNHFMZDHNGYSE-SNAWJCMRSA-N 409.671 4.298 0 1 HIAF Cc1c(Cl)ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 587001440 ZVGVXNXYXLXRKZ-UHFFFAOYSA-N 420.694 4.255 0 1 HIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cs1 587019459 NSYXTAIXEZRRJO-UHFFFAOYSA-N 421.482 4.416 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(CO)cc3[nH]2)c1 587051019 UECIMUZRRKESBV-CMDGGOBGSA-N 412.877 4.099 0 1 HIAF CCOC(=O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1 587105647 CPUISYUZRGJPGY-HLLQZAQXSA-N 412.489 4.017 0 1 HIAF CCOC(=O)CNc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587227474 NUJDOBQSJFHTDX-UHFFFAOYSA-N 414.334 4.254 0 1 HIAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)c(C)c(C)c3[nH]1)C2 587246199 DOGCROOTPOXBKJ-HXUWFJFHSA-N 400.320 4.294 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587428765 PHYCLBFYOAKTPU-CYFREDJKSA-N 404.393 4.224 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCCN1CCCCC1)[C@@H](C2)C3=O 587440820 BWLZMEHSFBIQSI-CYFREDJKSA-N 423.509 4.057 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2c(C(F)(F)F)cccc21 587463927 DLZQBYYBWJIHTI-FQEVSTJZSA-N 405.372 4.201 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(C(=O)OC)noc1C)CC2=O 587480904 GHBYCNMQXXRWFB-XMMPIXPASA-N 421.449 4.337 0 1 HIAF C[C@@]1(c2sc(N)nc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558071 VBRZSHYMHLPTOI-KPZWWZAWSA-N 422.384 4.327 0 1 HIAF C[C@H](CC(=O)O)[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574060 YLZUQTWAVYIRMR-PNPIFTBSSA-N 422.408 4.499 0 1 HIAF COc1nc(N2CCCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584751 AVSRUFWAAPIJRP-OFNKIYASSA-N 418.449 4.099 0 1 HIAF C[C@@]1(c2cccc(N3CCOCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595677 PWVTWNBBDHMAOH-RDGATRHJSA-N 417.461 4.106 0 1 HIAF CCOC(=O)c1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599196 WIQPUUYYAHGGCU-RDPSFJRHSA-N 404.418 4.446 0 1 HIAF CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615699 HCBUMWNKRKULLI-YBGOQADZSA-N 418.445 4.437 0 1 HIAF C[C@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616173 IZLFPVWBJDCKLB-CODAWKSHSA-N 404.418 4.047 0 1 HIAF Cc1nn(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Br 587684609 ZDTVVERREXKVQA-NXSYQRQQSA-N 417.120 4.016 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](N=O)C(=O)Nc2ccccc2)N1 587741733 IEOZWFQQWKPLGC-RDBACFOTSA-N 420.282 4.111 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](NC(=O)OC(C)(C)C)C2)N1 587742979 MTULHFYINKHATI-AGMRTUQYSA-N 413.331 4.395 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C(c2cccn2C)(c2cccn2C)N1 587757384 VHUPYILXPAISEI-CYBMUJFWSA-N 402.311 4.091 0 1 HIAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CC(=O)O 587804555 BUIOMVJNFQJOSU-GIPWTMENSA-N 422.294 4.022 0 1 HIAF Cc1ccc(N2CCC3(CC2)c2ccccc2C[C@@]2(C4CCC4)C(=O)NC(=O)N32)cc1 962635591 JJBZBTKJCKQQTQ-AREMUKBSSA-N 415.537 4.138 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1c(-c2ccc(C)cc2)nc2ncccn12 963038286 RZGZNICQKAACKE-DEOSSOPVSA-N 421.504 4.497 0 1 HIAF Cc1cccc(C)c1Nc1ncnc2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc12 1772644269 HBMYBVHYEIRJIQ-UHFFFAOYSA-N 421.501 4.453 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2ccc(F)cn2)=N[C@H]1c1ccc(F)cc1Cl 1857632653 LZKWAMWWBFZQFU-IBGZPJMESA-N 417.843 4.428 0 1 HIAF COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCCCn1nc(C)cc1C 1857741908 KEUGYXFRUSIXNH-ZHZULCJRSA-N 403.482 4.470 0 1 HIAF CC1=C[C@H](CNc2ccccn2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356388337 AUWYQCLVQMCXEL-IPMKNSEASA-N 406.534 4.374 0 1 HIAF C[C@@H]1CCCC=CCCC(=O)C[C@H](O)CC=CC=C[C@@H](O)CC=CC=CC(=O)O1 2356707207 KMKZBIGDFUKDCN-MQSCRBSSSA-N 402.531 4.124 0 1 HIAF OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2cccnc2)CC1 164581640 SHBBEOCAUKYUBZ-UHFFFAOYSA-N 402.538 4.499 0 3 HIAF C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 22941477 XKSRPDXBGYGWEX-INIZCTEOSA-N 418.368 4.089 0 1 HIAF CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)Cc1ccc(O)cc1 27560415 MGGUOWHPOJLMQU-YQIFXUADSA-N 424.585 4.081 0 1 HIAF COc1ccc([C@H]2CC(=O)N(c3cccc([S@@](C)=O)c3)C2)cc1OC1CCCC1 34820587 ASLGAGIXWVAZOC-ADKRDUOOSA-N 413.539 4.275 0 1 HIAF COc1c(Cl)cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc1Cl 40901204 HGMRNJOTNMAFQT-MRXNPFEDSA-N 406.221 4.099 0 1 HIAF O=C(C1CC1)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 72184402 GGCAZZNQYGVTKI-FQEVSTJZSA-N 403.448 4.180 0 1 HIAF COC(=O)c1sc2cc(OC)ccc2c1Nc1cc(OC)c(OC)c(OC)c1 95587337 NLNGAPHYPPKMFG-UHFFFAOYSA-N 403.456 4.466 0 1 HIAF CC(=O)N1[C@H]2C=C(CN3CCC(N(C)c4nc5ccccc5s4)CC3)C[C@H]1CCC2 101141440 UPCCYIWXWGMCSO-NHCUHLMSSA-N 424.614 4.297 0 1 HIAF O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccccc3[C@]12c1cccc(Cl)c1 115656014 QOXCWHJFAUGNOL-HSZRJFAPSA-N 406.844 4.292 0 1 HIAF O=C(O)c1ccc(O)c2ncc(NC[C@H]3CCCN(CCc4ccccc4)C3)cc12 169304006 STURGKBQRGOQJC-GOSISDBHSA-N 405.498 4.005 0 1 HIAF O=C(NN1C(=O)[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O)c1ccccc1 195409082 SFBZTOORZNQQMW-WAPCQROESA-N 422.484 4.070 0 1 HIAF COc1cccc(CNC(=O)c2nc(O)c3c(Oc4ccccc4)cccc3n2)c1 299841284 YYTBKOFXYKJOTN-UHFFFAOYSA-N 401.422 4.066 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3cnn4cccc(Br)c34)nc12 587006033 AGKUPBNMRAHCOX-UHFFFAOYSA-N 407.069 4.106 0 1 HIAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587203155 OPMUBXDDKGZIFP-OAHLLOKOSA-N 407.348 4.024 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4ccc(N)cc4)[nH]c3c2)cc1 587251350 DQEXBJIKGSJJAP-YIXHJXPBSA-N 420.494 4.125 0 1 HIAF C[C@]1(c2ccn(S(=O)(=O)c3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587533286 RUTFUBSPMFWSQD-XMMPIXPASA-N 421.518 4.485 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccnc1F 587571648 RLZLNJVTRSSMQZ-QAPCUYQASA-N 416.202 4.392 0 1 HIAF Cc1cccnc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587741098 FYZVWPCXFWYQPT-CWTRNNRKSA-N 406.299 4.070 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587744199 QZRJLPYLIWJFHZ-GIPWTMENSA-N 403.295 4.271 0 1 HIAF CC(=O)N(C)c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587757967 VVDZIMSPORKWSW-YUNKPMOVSA-N 405.311 4.369 0 1 HIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587785352 NKTHKESZVBZEIQ-MNOVXSKESA-N 406.667 4.317 0 1 HIAF C[C@H](Oc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1)C(=O)O 587796240 SNWXJCKKXOTOAS-XAAFQQQXSA-N 422.294 4.238 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3nc[nH]n3)o2)N1 587843298 IFXSMVUUNCPHJK-GLEZIHRCSA-N 409.284 4.074 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc(Cl)c(C)n1 587864444 HQYDYLAGMUXYKZ-UHFFFAOYSA-N 412.799 4.466 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c2c1 587933614 SOHZDGULSQKLRG-UHFFFAOYSA-N 408.479 4.405 0 1 HIAF NS(=O)(=O)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587957844 XBDGLUCXTJNYPL-UHFFFAOYSA-N 409.552 4.129 0 1 HIAF O=C(Nc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(-c3ccco3)nn12 653759956 PBXFOUQUQNIFAX-UHFFFAOYSA-N 418.461 4.168 0 1 HIAF COc1cc2c(cc1OC)[C@@](Cc1ccccc1)(c1c[nH]c(C(=O)O)c1)N(C)[C@H](C)C2 962561573 DHDSGLASKNZFDP-PUAOIOHZSA-N 420.509 4.093 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1nc3ccccc3n1Cc1ccccc1)NCC2 962932567 RLHTZURIUNCHMB-MHZLTWQESA-N 424.548 4.196 0 1 HIAF CC(C)c1nn2ccccc2c1[C@]1(C(C)C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030345 QPRARJXYUKDPBC-SSOJOUAXSA-N 402.542 4.411 0 1 HIAF COCC1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1 1772578867 WBLQTPNYWQVGCT-UHFFFAOYSA-N 417.387 4.159 0 1 HIAF O=C1[C@@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccc(Cl)c(F)c1 1772654458 JATJVTHLUABLLD-WMQCIHAUSA-N 420.887 4.113 0 1 HIAF CCCC[C@@H](CC)C(=O)OC[C@@]1(CO)CC(=Cc2ccc(Cl)c(F)c2)C(=O)O1 1857624409 ZNLUECRWFKKEBI-VFNWGFHPSA-N 412.885 4.300 0 1 HIAF CC(=CCCC(=CC[C@H]1OC(=O)C=C1CO)CO)CCC=C(C)CCC[C@H](C)CO 2356418200 CCONHYLQHTWPKT-XUZZJYLKSA-N 420.590 4.391 0 1 HIAF COC(=O)[C@@]1(Cc2ccc(OC)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccccc1 2356717661 VAUVWTVBYIPBIM-VWLOTQADSA-N 422.477 4.184 0 1 HIAF CCO[C@]1(c2cc(O)ccc2O)C=C(CCC=C(C)CCC=C(C)CO)C(=O)O1 2356815738 CUSAEAZTYDVKLC-HSZRJFAPSA-N 402.487 4.216 0 1 HIAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCC(C)(C)CO 4216589 AQOPPAKGGUJWQL-LEWJYISDSA-N 404.551 4.234 0 1 HIAF O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959206 HJULFTQEKBTIGR-IRLDBZIGSA-N 418.884 4.113 0 1 HIAF C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2Cl)nc2nc(N)sc12 28820832 UWCWEMUTPGPILL-SSDOTTSWSA-N 416.359 4.060 0 1 HIAF CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 40933122 BUYDNRQFJOQGTP-UHFFFAOYSA-N 418.323 4.257 0 1 HIAF C[C@@H](Cc1nc2c(NCC3CC3)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 82186173 VDXYEJIVRQXZIY-RXVVDRJESA-N 418.589 4.479 0 1 HIAF CCOC(=O)n1ccc2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)cc21 95921256 SNCXIBOVAVIFGA-UHFFFAOYSA-N 405.454 4.099 0 1 HIAF in-vitro CC(C)CCn1c(CN2C(=O)[C@H](CC(=O)N(C)C)c3ccccc32)nc2ccccc21 101420131 FXQCWNMSMFCPCX-LJQANCHMSA-N 418.541 4.191 0 1 HIAF O=C(c1ccc(Oc2nccnc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1 115805603 MRMLYEPTQBRISE-UHFFFAOYSA-N 400.438 4.270 0 1 HIAF O=S(=O)(Nc1ncns1)c1ccc2c(N3CC[C@@H]3c3ccccc3)cccc2c1 206154445 IKBFEOVTPSDHHE-LJQANCHMSA-N 422.535 4.444 0 1 HIAF Cn1nc2c(c1-c1ccccn1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 225972435 IDZPQNKXXJELQM-UHFFFAOYSA-N 420.822 4.353 0 1 HIAF S=C(NCc1ccc2c(c1)OCO2)Nc1cccc(-c2nc3ccccc3[nH]2)c1 299828349 JDPZGOLVWAXQFW-UHFFFAOYSA-N 402.479 4.445 0 1 HIAF CC(C)c1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(O)c(C(C)C)c1 586897075 WTUWFDHBUIFGGJ-UHFFFAOYSA-N 401.532 4.433 0 1 HIAF Cc1cncc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 586967962 HWUJEFSUFOXYAY-HUUCEWRRSA-N 420.542 4.115 0 1 HIAF COC(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586984306 DWTYMKCXSSCXII-SFHVURJKSA-N 414.303 4.297 0 1 HIAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1F 587145326 WUCNNWHKOUWREH-UHFFFAOYSA-N 424.453 4.012 0 1 HIAF O=C(c1ccc(Cl)nc1Cl)c1c(CO)oc2cc(Br)cnc12 587276616 PAFPYWDDGGURAL-UHFFFAOYSA-N 402.031 4.015 0 1 HIAF CCO/C=C(\C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351419 UTRFTHWEORTUCH-CXIFVNDISA-N 414.429 4.132 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(CCC(=O)c1ccc(C)s1)O2 587409566 IEZHBWDIJVJULC-OAQYLSRUSA-N 401.484 4.179 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccc(F)c(F)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587425234 ANMXPANDFTXACS-XDHUDOTRSA-N 422.383 4.363 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@]13CCN(C(=O)OC(C)(C)C)C3)CC2=O 587476569 VPHCAUOJDNQSCC-DHIUTWEWSA-N 401.503 4.470 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)CC(C)C)cc1)CC2=O 587489341 UHQJJKDQFRIEFF-OAQYLSRUSA-N 402.512 4.481 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc(O)cc1 587594084 KERLSPUDYPHRIY-CVDCTZTESA-N 400.390 4.191 0 1 HIAF CCc1ccc2c(c1)[C@@]1(CC(=O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607462 HEYVJXWZAGTWPH-ZJSXRUAMSA-N 402.402 4.121 0 1 HIAF COc1ccc([C@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587697841 UNFLTGSANGXQRT-YPMLDQLKSA-N 414.702 4.020 0 1 HIAF COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)=O 587804521 BOJXFIATBDBUHP-YPMLDQLKSA-N 408.267 4.146 0 1 HIAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1C=O 587807866 OHDGKNHVOAKCJU-GIGQVBGESA-N 408.267 4.042 0 1 HIAF COc1cc2c(cc1OC)[C@@](c1cccc(C3OCCO3)c1)(C1CC1)N(C)[C@@H](C)C2 962569096 MFQXPBNSLIVCLY-LMKMVOKYSA-N 409.526 4.279 0 1 HIAF COC(=O)c1cc([C@@]2(CCCC(=O)O)NCCc3cccc(-c4ccccc4)c32)c[nH]1 962666232 LKCDULXODFLTEG-RUZDIDTESA-N 418.493 4.113 0 1 HIAF COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)NCCc2cccc(-c3ccccc3)c21 962669949 PZVPYNJFVJEAGC-RUZDIDTESA-N 421.443 4.153 0 1 HIAF CN1C(=O)C[C@H]2CN[C@@](CCC(=O)O)(c3ccc4ccccc4c3)c3cccc1c32 963014770 AHSZDTQZVZPBMN-BVZFJXPGSA-N 400.478 4.002 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cccnc1NC(=O)OC(C)(C)C 963058035 QDSOXTVPYBVTAB-FQEVSTJZSA-N 406.486 4.221 0 1 HIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(CCc3nc(Cl)ccc32)N1 963189856 NICVSQZCHTTWAO-SJKOYZFVSA-N 417.214 4.196 0 1 HIAF Cc1cc(C)nc(NC(=S)N(C)CCN(C)Cc2ccc(C(F)(F)F)cc2)c1 1857752854 STVMDZPQQZEBCP-UHFFFAOYSA-N 410.509 4.478 0 1 HIAF Cc1ccc(Cl)cc1NC(=O)C1=CNN2C1=N[C@H](c1ccco1)C[C@H]2C(F)(F)F 103999628 MCHJGQTWHCYKEP-HOCLYGCPSA-N 424.810 4.358 0 3 HIAF Cc1ccc(C2=NC(=O)[C@H](c3c[nH]c4ccccc34)N(C(=O)c3ccccc3)N2)cc1 4019037 NUQXYLMEVQSJAJ-QFIPXVFZSA-N 408.461 4.151 0 1 HIAF CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc3ccccc3c2)ccc1=O 25429895 WZBGPWHAYXJTOS-UTKZUKDTSA-N 401.510 4.206 0 1 HIAF biogenic COc1cc(Nc2nccc(-c3ccc(N4CCCCC4)nc3)n2)cc(OC)c1OC 26993368 WAHLWLPSRKKGGP-UHFFFAOYSA-N 421.501 4.298 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2nncc3ccccc23)CC1 28371060 ZEGPQYHWMWQQRE-UHFFFAOYSA-N 401.392 4.003 0 1 HIAF Cc1nc(-c2ccc(OCC[C@@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)no1 28478222 KFNVTEAQNRTWRK-KRWDZBQOSA-N 421.501 4.177 0 1 HIAF Cc1ccc(-c2nc(Cc3cc4cc(C[C@@H]5OC(=O)NC5=O)ccc4o3)c(C)o2)cc1 29330184 OMIMGIWRCIYNIG-NRFANRHFSA-N 416.433 4.473 0 1 HIAF CCCC[C@H](CC)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(F)c(Cl)c2)C(=O)O1 40405906 XNFOFLKZKHRUHX-GDFCYHOYSA-N 412.885 4.300 0 1 HIAF COC[C@H]1CCCN1C(=O)C1=C(C)Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 40845234 YUQIGBKAJHYJLB-KUHUBIRLSA-N 421.328 4.116 0 1 HIAF COc1cc2nc(NCCc3ccccc3)nc(NCc3cc(C)no3)c2cc1OC 45230897 XRXOLODVODXUDY-UHFFFAOYSA-N 419.485 4.210 0 1 HIAF Cc1c[nH]c2c(Nc3cccc(C(F)(F)F)c3)ncc(C(=O)N3CCOCC3)c12 45257109 GQOWRGJDUDQRIR-UHFFFAOYSA-N 404.392 4.106 0 1 HIAF C[C@@H](c1ccccc1)n1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21 49031417 PQYSARLPSALZJJ-AWEZNQCLSA-N 405.889 4.405 0 1 HIAF O=C1OCC2=C1[C@H](c1cc(Br)ccc1O)c1ccc3ccc(O)cc3c1N2 71295081 CQXNQMDQBADNBA-SFHVURJKSA-N 424.250 4.382 0 1 HIAF COc1cc(Nc2nnc([C@@H](O)c3cccc(Cl)c3)s2)cc(OC)c1OC 82083162 RCDRAVQARPTZOZ-HNNXBMFYSA-N 407.879 4.043 0 1 HIAF CCCC[C@@H](CC)CNc1nc(N2CCN(C)CC2)nc2cc(OC)c(OC)cc12 82127468 GYCLEVSDAGLGKW-QGZVFWFLSA-N 415.582 4.027 0 1 HIAF COCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc(F)cc2)n1 82136253 NZDXHHAVCOVYGW-DNVCBOLYSA-N 400.498 4.040 0 1 HIAF O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccc(Cl)cc1 84617926 KEUREEDLNOYZLY-ZSOIEALJSA-N 410.676 4.497 0 1 HIAF Cc1ccc([C@@H]2COc3cccc4c(=O)c(C(=O)NC5CCCCC5)cn2c34)cc1 95555709 MUXBVIPYURGQBT-NRFANRHFSA-N 402.494 4.354 0 1 HIAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 95877063 XNACUZIZQDXWGE-IJZKVLOXSA-N 423.532 4.315 0 1 HIAF CCCC1([C@H](O)C/C=C\[C@@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 100309529 XRISENIKJUKIHD-UBQBVSERSA-N 408.579 4.344 0 1 HIAF in-vitro COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1ccco1 103190712 LNXMUDJRAVALRB-OAHLLOKOSA-N 408.265 4.405 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1ccc(C[C@H]2CO[C@](C)(C(=O)O)OC2)cc1 139837937 PDHHMAZLDSSIHQ-OWWJJEGGSA-N 423.465 4.235 0 1 HIAF O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](O4)[C@H]3c3nc4ccccc4[nH]3)ccnc2N1 150319049 LVALWLQZIOYNRM-FKBYEOEOSA-N 410.433 4.277 0 1 HIAF O=C1C=C(C(F)(F)F)[C@@H]2C=C(N(Cc3ccccc3)CC(F)(F)F)C=C[C@@H]2N1 169362494 XXMVSLOGYARTFA-HOCLYGCPSA-N 402.338 4.108 0 1 HIAF Cc1cc(OCC2(C(=O)O)CC2)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)nc1 204762373 OFMXBZXJRSXLOD-UHFFFAOYSA-N 418.375 4.105 0 1 HIAF Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)CC1=O 205764256 DVXKTLYPEYDJAB-OAHLLOKOSA-N 401.388 4.186 0 1 HIAF C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)C(=O)O)[C@@H]3CC2 238744625 IALKHVRHBAMIIV-VPQFORCFSA-N 416.558 4.499 0 1 HIAF COc1c2c(c3ccoc3c1OC)O[C@@H](c1ccc3c(c1)OCO3)[C@H](OC)[C@H]2OC 238759394 GOCVYXVPIUFXNU-LRQRDZAKSA-N 414.410 4.015 0 1 HIAF C1=NCCOCCN=Cc2ccccc2OCc2cccc(n2)COc2ccccc21 299815358 DSHVOUCGIOLILK-UHFFFAOYSA-N 415.493 4.108 0 1 HIAF CSc1sc(-c2nc3nc(Cl)c[nH]c-3n2)c(Cl)c1S(=O)(=O)C(C)C 586919836 IAVSCBZJWHZTQH-UHFFFAOYSA-N 423.372 4.244 0 1 HIAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc5cn[nH]c5cc4[nH]3)CC2)cc1 586955476 PHSZIEGNJPDPEG-UHFFFAOYSA-N 423.542 4.131 0 1 HIAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(C)c2[nH]1 586956343 HDZFZVRWDDRJOR-UHFFFAOYSA-N 419.506 4.298 0 1 HIAF CC(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 586958638 GYVPVMHWQNDWRQ-DEOSSOPVSA-N 405.317 4.268 0 1 HIAF CCc1cc(O)nc(SCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)n1 586966895 QDWYZBCRALKPDD-UHFFFAOYSA-N 404.801 4.465 0 1 HIAF O[C@H](c1ccc(Br)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 586998197 YXGBFTRQXHNXOD-LLVKDONJSA-N 417.488 4.218 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)C(F)(F)F)n1 587095208 YYIHKNBCZAZRPK-ZDUSSCGKSA-N 411.327 4.219 0 1 HIAF Cc1cc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)n2n1 587349079 TWUNIGRREOPMCT-VWNXMTODSA-N 417.440 4.465 0 1 HIAF COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc4c(C)c(C)c(=O)oc4c1)[C@@H](C2)C3=O 587454528 UFSWCSSDGITHJQ-IKSRFOEDSA-N 420.461 4.392 0 1 HIAF C=CN1CCCC[C@H]([C@]2(c3ccncc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587474598 IQTQKHXTTVRYBW-NBGIEHNGSA-N 420.509 4.373 0 1 HIAF COc1ccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587514217 WDKDVLOSXCTPRB-DEOSSOPVSA-N 409.482 4.335 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(Cl)cc2)n1 587552393 RBUVUUULJVOWET-DENIHFKCSA-N 419.824 4.329 0 1 HIAF CCOC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597719 RRBNIHPZUPNWGS-YKSBVNFPSA-N 404.418 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(Cc3ccccc3)n2)N1 587763604 KLQFCVOCKJJPKP-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF COC(=O)c1cc(OC)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807218 KDJFFTMTMSDONX-YPMLDQLKSA-N 408.267 4.007 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)s2)N1 587852146 DKOMPHBWJPUETN-PWCHPLFNSA-N 406.118 4.431 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c(C)nc2sccn12 587864944 WAGXLBSGRLYZHM-UHFFFAOYSA-N 406.389 4.284 0 1 HIAF COc1ccc(C(=O)N2N=C(c3ccccc3)C[C@]2(O)c2ccc(C)cc2)cc1F 653801348 UCEIHFCMQJAQKW-DEOSSOPVSA-N 404.441 4.238 0 1 HIAF C[C@@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963226202 KQQBQKBOGCAPFZ-JMABCJMESA-N 415.537 4.275 0 1 HIAF O=C(c1c(O)cc(O)cc1Nc1ccnn1-c1ccccc1)N1Cc2ccccc2C1 1857591215 CHIIMLNLVKIFQQ-UHFFFAOYSA-N 412.449 4.183 0 1 HIAF COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCc1ccc(OC(C)C)cc1 2356762551 DXDWXKHWFDVNBO-ISKFKSNPSA-N 416.606 4.146 0 1 HIAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)CCC[C@](C)([C@@H]2C[C@H](O)C2(C)C)[C@H]1C3 2356835957 KVWHDTKSQUQVHQ-HZSXPFAGSA-N 414.542 4.401 0 1 HIAF CC(C)CCC(=O)N(Cc1ccco1)[C@H](C(=O)NCc1ccccc1)c1cccnc1 2356871250 XYZOMHNZQIDQOL-DEOSSOPVSA-N 419.525 4.497 0 1 HIAF Cc1nc2c(C(=O)NCc3ccco3)cnn2c(C)c1Cc1ccc(F)cc1Cl 3045393 VQAXFCNJQLWNQU-UHFFFAOYSA-N 412.852 4.252 0 3 HIAF Cc1oc(-c2ccccc2)nc1CC[C@H](O)c1ccc(C[C@@H]2SC(=O)NC2=O)cc1 1483018 HEFGGAWLJMWCQK-PMACEKPBSA-N 422.506 4.210 0 1 HIAF COc1ccc(C2=NC3(CCN(C(=O)NC4CCCCC4)CC3)N=C2SC)cc1 7003010 CPLPWDQELCXNFQ-UHFFFAOYSA-N 414.575 4.094 0 1 HIAF C[C@@H]([C@@H](c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C 28331443 RSDPLFJFCIEHAP-MBSDFSHPSA-N 422.573 4.069 0 1 HIAF CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2[C@@H]1O3 29570906 ZGWVRJWWDJNRNP-QHCPKHFHSA-N 422.481 4.120 0 1 HIAF CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(NC[C@H](C)N)nc21 45289882 IRPWLAFDUBVBJE-KRWDZBQOSA-N 415.545 4.445 0 1 HIAF O=C(NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1)C1CCCCC1 72103128 PXXQQUVCJWZTLN-JOCHJYFZSA-N 414.500 4.005 0 1 HIAF COc1ccc([C@]2(O)c3cc(Cl)ccc3N=C(C)N2CCN2CCCCC2)cc1 72123132 UWSCOBDKVTYQGB-QHCPKHFHSA-N 413.949 4.393 0 1 HIAF FC(F)(F)c1cccc(N2CCN(C(=S)Nc3nccc4cccnc34)CC2)c1 95568515 LIZOPOHFMJTKDL-UHFFFAOYSA-N 417.460 4.168 0 1 HIAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO 95877648 IDTCIEOXFGFTMA-CVJWPJSTSA-N 416.496 4.411 0 1 HIAF CCOC(=O)c1cnc(NCCCCNc2ccnc3cc(Cl)ccc23)nc1C 96911421 MQQUNZCZFGVZKZ-UHFFFAOYSA-N 413.909 4.468 0 1 HIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586962819 HUQSQANLNBOOEJ-ZCFIWIBFSA-N 404.805 4.024 0 1 HIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2nc(Br)c[nH]c-2n1 587044619 IURAAIPDXUNQJL-UHFFFAOYSA-N 404.051 4.058 0 1 HIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587092991 CJUFBWMLXVRARG-YFKPBYRVSA-N 418.135 4.474 0 1 HIAF CN(Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169927 KZMBJMDMWOAWRN-UHFFFAOYSA-N 411.458 4.315 0 1 HIAF COc1cc(OC)c2[nH]c(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)nc2c1 587241359 ZPXGBYZJEJIBGO-UHFFFAOYSA-N 417.465 4.442 0 1 HIAF CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc21 587328577 AZONNRDRNQNNIX-URXFXBBRSA-N 421.399 4.291 0 1 HIAF COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)o1 587357620 UUKZNYUTESHUCZ-NZQKXSOJSA-N 410.397 4.494 0 1 HIAF CCOC(=O)c1sc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2c1N 587451048 HPYFRAONQUZZBZ-JLTOFOAXSA-N 409.463 4.158 0 1 HIAF C[C@]1(c2ccncc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548703 VGBUKOBNFPKTSG-FXAWDEMLSA-N 412.239 4.427 0 1 HIAF Brc1cnc(Br)c2[nH]c(CCOCc3ccccc3)nc12 587566142 XLPLIUCASYHUKA-UHFFFAOYSA-N 411.097 4.242 0 1 HIAF C[C@]1(c2cc(F)nc(N3CCCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569847 MOJJOMDWHMLRBC-XUZZJYLKSA-N 420.440 4.404 0 1 HIAF COc1ccccc1-n1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757882 HYTCPVGKTOIEKB-ODXCJYRJSA-N 416.294 4.406 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2ccnc2)(c2ccccc2)N1 587757957 WHOUMXNYWNMHCS-VLIAUNLRSA-N 400.295 4.263 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCC3=O)c2)N1 587768190 LGFJUOKEYXQGBU-ODXCJYRJSA-N 403.295 4.123 0 1 HIAF COCOc1ccc(OC)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587804274 DHRLFBVOWARZIU-WLRWDXFRSA-N 410.283 4.203 0 1 HIAF c1ccc(CN2CCN(C[C@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 653704208 QKLBWFBWMSIHHB-SANMLTNESA-N 414.549 4.121 0 1 HIAF FC(F)(F)[C@@]1(Cc2cccc(Br)c2)NCCc2nc3ccccn3c21 962988468 OMCSEXLCQCSEBK-KRWDZBQOSA-N 410.237 4.243 0 1 HIAF CCCOc1ccc([C@H]2NCCc3c(C(=O)O)cccc32)c(OCc2ccccn2)c1 963120542 JNMMSDOZTLGRMA-DEOSSOPVSA-N 418.493 4.383 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCCc2nc(-c3cccnc3)sc21 963604646 DQKXFWVXOAJVMH-PSLXWICFSA-N 407.539 4.336 0 1 HIAF Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(I)cc3)c2n1 1857598822 PTXMOFSOXWQARM-UHFFFAOYSA-N 421.238 4.155 0 1 HIAF O=C(NC1CCCCC1)[C@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 1857751623 GIWFADKKUVMLGD-XMMPIXPASA-N 416.525 4.089 0 1 HIAF CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1 1857770389 MSESEOMSZAWXAD-UHFFFAOYSA-N 408.933 4.196 0 1 HIAF O=C(Nc1ccc(F)cc1F)N1CCOC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 2356302552 YTTDILSKFJIFSA-HNNXBMFYSA-N 416.346 4.295 0 1 HIAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]2(C)COC(C)(C)O[C@@H]2CC[C@]13C 2356326330 WTLPSBZUQMYRGQ-CWHWNMJUSA-N 420.590 4.455 0 1 HIAF COc1ccc(-c2cn3c(n2)CO[C@H](CNCc2ccc(C(F)(F)F)cc2)C3)cc1 2356583145 LIBIFRLUDOMVMX-LJQANCHMSA-N 417.431 4.266 0 1 HIAF O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356584987 ZLLUMBAEIVGBCC-RHSMWYFYSA-N 422.382 4.353 0 1 HIAF CC[C@@H]1O[C@H](OC)[C@](C)(C=CC=CC=CC=Cc2oc(=O)cc(OC)c2C)[C@@]1(C)O 2356717795 XJLVGLQWWKSJQC-BIHRQFPBSA-N 416.514 4.177 0 1 HIAF CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(C)c(C)c1 5512692 UPKUMLKWNJTSMG-OAQYLSRUSA-N 418.578 4.476 0 1 HIAF in-man C=CS(=O)(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 13861835 XDSBIBMMFWAPMJ-UHFFFAOYSA-N 405.277 4.021 0 1 HIAF COc1ccc([C@@H]2CCCC[C@@H]2N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 28567814 YCQGSXHCEZEBGW-ZEQRLZLVSA-N 419.569 4.150 0 1 HIAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@H](C)C(=O)Nc1nccs1)C2 28645053 ZFUJXRWIEDOTHM-RDJZCZTQSA-N 401.576 4.080 0 1 HIAF biogenic CNCc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 29474932 TZSOPJGPXQNPTC-ZRDIBKRKSA-N 420.875 4.463 0 1 HIAF CC(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 36330361 WQRLJNLBZCBCAP-LAMOKNQVSA-N 414.542 4.082 0 1 HIAF CC(C)C[C@@H](CNC[C@H](CC(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 45201462 KHCDLVBIJAFNTF-ROUUACIJSA-N 415.619 4.455 0 1 HIAF Brc1ccc(-c2nc(CN[C@H]3CCN(Cc4ccccc4)C3)co2)cc1 72183663 YPXLDTKPXQWSMH-IBGZPJMESA-N 412.331 4.468 0 1 HIAF c1ccc2c(c1)CN(c1cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c1)C2 73294774 DYQQSERULJYPMR-UHFFFAOYSA-N 403.530 4.198 0 1 HIAF CCCCNC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1F 82150513 UGSGAHXVPXCTMX-UHFFFAOYSA-N 422.460 4.153 0 1 HIAF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccc(Br)cc3)ccc12 96905448 FOESNNDMFMIWCH-LJQANCHMSA-N 415.312 4.378 0 1 HIAF COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1OC 104083348 SDBSTYVLIKBDJG-HNNXBMFYSA-N 413.499 4.338 0 1 HIAF COc1cccc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 116826640 ANYOIWINWLJUKU-CALCHBBNSA-N 405.523 4.027 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccnc(Oc4ccccc4)c3)C2)cc1 142313841 WPXFMTRPDAUPIJ-KRWDZBQOSA-N 403.482 4.339 0 1 HIAF NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(-c2cccc(F)c2)n1 169341672 BDCQWVPVYWHJNQ-PZJWPPBQSA-N 419.504 4.412 0 1 HIAF Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(N3CC[C@H](N)C3)nc2)c1 206862743 LTMIKBKDOCZHPK-INIZCTEOSA-N 414.435 4.147 0 1 HIAF Cc1cnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)nc1NC(C)C 253679447 WMGVLJIGYUYNKK-IYBDPMFKSA-N 403.477 4.037 0 1 HIAF CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2Cl)n1 299829882 VQWYVPCCLWSJOV-UHFFFAOYSA-N 403.939 4.050 0 1 HIAF CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccncc3)c3cccnc23)cc1 473171666 UPIYOQQQHWIQKF-UHFFFAOYSA-N 418.478 4.056 0 1 HIAF CCOC(=O)C[C@@H](Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(=O)OCC 587106117 IHQMDTNXPBSRMU-OAHLLOKOSA-N 417.461 4.121 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(CSc3ncccn3)c1)O2 587408267 FKYKGOXAWWLUNM-QFIPXVFZSA-N 407.495 4.246 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cnn(Cc4ccc(C(F)(F)F)cc4)c1)[C@@H](C2)C3=O 587420718 GWZWPTOKWQJHNY-UWJYYQICSA-N 414.383 4.448 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H]1CCC[C@@H](C(=O)O)C1)[C@@H](C2)C3=O 587429055 RUBWGYCDYNVFTJ-OZZRLPORSA-N 410.441 4.368 0 1 HIAF COc1ccc(C(=O)Oc2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 587442707 NFPNOOBADFVEHE-YKSBVNFPSA-N 416.429 4.412 0 1 HIAF CC[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530633 GETVMAOGLUTRDO-NRFANRHFSA-N 419.930 4.137 0 1 HIAF C[C@@]1(c2cc(Cl)cnc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551812 KBIWCEUNZSZTTQ-KKSFZXQISA-N 411.797 4.016 0 1 HIAF CCOC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc1C 587615279 GIEFJTYDRXCWRK-WMZHIEFXSA-N 408.406 4.347 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587727142 ARCVIQWIZVUFQU-WLRWDXFRSA-N 410.258 4.068 0 1 HIAF C[C@]1(CCc2ccc(F)cc2F)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962622073 APZSDZYJSMKMAM-HNAYVOBHSA-N 415.358 4.310 0 1 HIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](COC=C(F)F)(c3ccccc3)N12 962674195 VUEYDPSCAXKZCJ-BJKOFHAPSA-N 424.447 4.332 0 1 HIAF CON/C=C/[C@@]1(c2ccc(OC)cc2)c2ccsc2CCN1Cc1cccnc1 962993548 JLCCAOUKEWVAOQ-ABSORMQESA-N 407.539 4.118 0 1 HIAF CCC[C@@]1(c2cc3ccc(O)cc3oc2=O)NCCc2cc3cccc(OC)c3nc21 963034196 LXKIYZISXZIEGG-VWLOTQADSA-N 416.477 4.245 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@@](c3ccc(C(C)(C)C)cc3)(C3CCNCC3)c3cccc1c32 963038646 XKIGWXZBLDXKCK-CLYVBNDRSA-N 417.597 4.281 0 1 HIAF Cn1c(=O)nc(O)c2c(-c3ccc(Cl)cc3)c(N)c(-c3ccc(Cl)cc3)nc21 1857747392 YUSHFFKFOOJWIO-UHFFFAOYSA-N 413.264 4.257 0 1 HIAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1OC 774175 LUBLGIHVGYEZOL-BEFAXECRSA-N 424.497 4.163 0 1 HIAF C[C@@]1(Cc2ccccc2)C(=O)N2[C@@H](CO)[C@@H](c3ccccc3)O[C@]2(C)c2ccccc21 5811343 CQKFCMLVEDQLFU-AEZNDSDVSA-N 413.517 4.334 0 1 HIAF COc1ccc(OC)c(-c2cccn([C@@H](CN3CCCC3)c3ccccc3)c2=O)c1 13436675 HFYIORXUHHAYHO-QHCPKHFHSA-N 404.510 4.218 0 1 HIAF CC(C)n1nc(C(=O)NC2CCN(CCCc3ccccc3)CC2)c2ccccc21 13779608 UJDBLORTKYQMGP-UHFFFAOYSA-N 404.558 4.444 0 1 HIAF Cc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21 20512253 OWGZZNUCRGQFBH-UHFFFAOYSA-N 403.507 4.208 0 1 HIAF COc1ccc(CC2(CO)CCN(Cc3nccn3-c3cccc(C)c3)CC2)cc1 23213927 GQHPZYKPOWXUCW-UHFFFAOYSA-N 405.542 4.007 0 1 HIAF CCN(CC)c1ccc(NC(=O)[C@]2(NC(=O)NC(C)C)CCc3ccccc3C2)cc1 28135365 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C[C@@H](c1ccc(O)cc1)[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253636266 XAKUZHBVDGUKLO-XBSHPPIXSA-N 400.515 4.408 0 1 HIAF Fc1cnc(Br)c2[nH]c(-c3ccnc(Cl)c3Br)nc12 586979851 WYLWIUBVUGPGCC-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF CC(C)(C)c1cccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 587024184 PJBCDKRWHZWVJW-UHFFFAOYSA-N 406.515 4.345 0 1 HIAF Cc1ccc(-c2csc3ncnc(SCc4nc5c(O)nc(O)nc5[nH]4)c23)cc1 587038748 QTZGULBMBDXDRU-UHFFFAOYSA-N 422.495 4.037 0 1 HIAF COc1cc(/C=C\c2nc3c(O)nc(S)nc3[nH]2)cc(Cl)c1OCC(C)C 587046858 NNKGUZUGWLUSCX-PLNGDYQASA-N 406.895 4.214 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 587204123 INBONGBJKAURAP-AWEZNQCLSA-N 409.914 4.485 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@]13CCN(C(=O)OCc1ccccc1)C3)O2 587401133 SQUPQSRNOXJLKC-BJKOFHAPSA-N 406.482 4.104 0 1 HIAF CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438534 PWGCLQPOKURNJR-QSAZIKIQSA-N 401.503 4.381 0 1 HIAF CC(C)Cn1cc([C@]2(C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587554798 JLXWLSSOEUBLKD-GCJKJVERSA-N 414.408 4.367 0 1 HIAF CCc1nn(CC)c2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583388 VVWJMAYQXQUDCD-QPPBQGQZSA-N 404.466 4.364 0 1 HIAF COc1ccc(-n2cccn2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587583986 XTYPYAUKEWQHFQ-QPPBQGQZSA-N 414.417 4.289 0 1 HIAF Cc1cccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587746498 ZXUDUWUESDFOQH-CWTRNNRKSA-N 406.299 4.070 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792240 BCZRNTRRHGVXEF-YUNKPMOVSA-N 422.294 4.025 0 1 HIAF COC(=O)c1cccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587802396 MCNKTRXYOLSHGZ-DGIBIBHMSA-N 417.278 4.480 0 1 HIAF COC(=O)c1ccc2c(c1)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587811785 XEFNZAZLVJRDLY-BIBXISHDSA-N 404.279 4.099 0 1 HIAF CCOC(=O)c1cccc([C@]2(C(=O)OCC)N[C@H](CC)Cc3c2[nH]c2ccccc32)c1 962951595 IAYKYEAVHNLNLY-CJAUYULYSA-N 420.509 4.076 0 1 HIAF O=C(O)CCCC[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959899 QPFBEUAGPVRSKC-KKSFZXQISA-N 423.843 4.106 0 1 HIAF COc1cc2c(cc1OC)[C@H](c1ccc(Cl)o1)N(C(=O)c1ccccc1N)CC2 963144886 VTTZIVYQSWMHAK-OAQYLSRUSA-N 412.873 4.320 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cccc(-n3ccnc3)c2)C1 1772583954 XSOUGWAKUIUSDC-QGZVFWFLSA-N 408.889 4.017 0 1 HIAF CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(CO)[C@H]3CC[C@H]2[C@@H](C)N(C)C)C1 2356484838 JIFIMAIHRKBXOH-SVTWVRJQSA-N 404.639 4.073 0 1 HIAF O=C(N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)C1C2CC3CC(C2)CC1C3 199717416 WISBSXVLCMMQDA-TVVVCHRXSA-N 414.977 4.410 0 3 HIAF CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCn2cccn2)CC1 1554584 INBDMSIHZXMADB-UHFFFAOYSA-N 423.586 4.083 0 1 HIAF COC1=C[C@@]23C=C[C@@H]1[C@@H](c1ccccc1)C2=C(C)C(=O)N3C(=O)NC1CCCCC1 5757581 IPVTXSSBFHSCEP-HWHXTQLESA-N 404.510 4.440 0 1 HIAF C[C@@H]1N(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2C1(C)C 22941309 WIDARYDIQORZIK-SFHVURJKSA-N 411.977 4.171 0 1 HIAF COc1cc([C@H]2C(=O)OC[C@H]2C(=O)c2cccc3ccccc23)cc(OC)c1OC 28378457 YPCYFZPHBYZMDW-WIYYLYMNSA-N 406.434 4.005 0 1 HIAF Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCc4ccccc4)cc[nH]c3=O)nc12 28703487 KGNKFYQLQPPEDV-UHFFFAOYSA-N 410.481 4.067 0 1 HIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccsc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 35623185 YBNMBVQUARMXNJ-YSSFQJQWSA-N 401.528 4.288 0 1 HIAF COc1cc(-c2nc(CNc3cc(C(C)(C)C)nn3C)co2)cc(OC)c1OC 72182422 JHJPQFIYFAQEPW-UHFFFAOYSA-N 400.479 4.011 0 1 HIAF COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3cccs3)ncnc21 82177936 RRFUMYZGLFCUJJ-MRXNPFEDSA-N 407.543 4.493 0 1 HIAF COc1coc(COC(=O)c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1=O 84758454 OHUOAGXZQYUCGX-UHFFFAOYSA-N 410.466 4.179 0 1 HIAF COc1ccc([C@H](CC(=O)NCc2ccccc2)c2c(O)cc(OC)cc2OC)cc1 95597441 XUCOAQWTRZAPLT-NRFANRHFSA-N 421.493 4.256 0 1 HIAF CCCOc1ccc(-c2cc(OCCN3CCN(C)CC3)c3ccccc3n2)cc1 96271012 UMSINTKYESFRGS-UHFFFAOYSA-N 405.542 4.317 0 1 HIAF O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)Cc1cccc3ccccc13)CC2 96271029 OMXKUEXZCQUFSZ-UHFFFAOYSA-N 416.452 4.146 0 1 HIAF CCOc1cccc(C2(N3CCN(c4ccc(Cl)nn4)CC3)[C@H]3CC(C)C[C@H]32)c1 96272388 ABMVPPVIAHIGQO-AUAZEBQOSA-N 412.965 4.222 0 1 HIAF COc1cc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3)cc2)cc(OC)c1 100107060 RMIRTGJDFJSWQE-GPOLMCQNSA-N 400.522 4.311 0 1 HIAF COC(=O)c1ccccc1-c1cccc(-c2cc(=O)cc(N3CCOCC3)s2)c1 101078131 AMYJYYLRZUMWSJ-UHFFFAOYSA-N 407.491 4.066 0 1 HIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ncccn2)c1 103258154 HROQOTIYMUULKT-IBGZPJMESA-N 403.482 4.415 0 1 HIAF CC(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 103663521 ICZXNFLIPWMWGQ-GOSISDBHSA-N 407.514 4.058 0 1 HIAF Cc1ccc(-c2nc(COc3ccc([C@H]4CO[C@@](C)(C(=O)O)OC4)cc3)c(C)o2)cc1 299808517 NWCXSHBSCAJVKL-DQMBHMMVSA-N 423.465 4.469 0 1 HIAF C[C@H]([C@@H]1C[C@@H]1C(=O)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 299848597 SPBCVLSZAPVLJN-QFKFNMILSA-N 404.591 4.334 0 1 HIAF Oc1c(Br)ccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586996173 SKFWERRHUVEMDA-UHFFFAOYSA-N 411.097 4.448 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@H]2CCCC[C@H]21 587027115 PJYGSSNNENOWFA-MCIONIFRSA-N 401.923 4.094 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(Cl)ncnc3[nH]1)N2 587031400 NJLSZTPKAVJHNW-ZKUGPGMGSA-N 406.924 4.133 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(=N)N)cc2[nH]1)c1cccc(Cl)c1 587071125 JYQATUOVNXWGBS-INIZCTEOSA-N 413.909 4.309 0 1 HIAF FC(F)(F)c1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(Br)cn1 587115476 WBGQRNJGKYRJMI-UHFFFAOYSA-N 412.091 4.167 0 1 HIAF COC(=O)c1cc(Cl)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 587127338 QSUSKPGGGLMFIH-UHFFFAOYSA-N 410.739 4.445 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(CCc1c(C)[nH]c4c(C)cccc4c1=O)[C@@H](C2)C3=O 587435097 BUWCREURSSNJJJ-UQBPGWFLSA-N 403.478 4.292 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c[nH]c3ccc(OC)cc13)CC2=O 587486496 UHLUEDMFHCDKKX-DEOSSOPVSA-N 423.465 4.258 0 1 HIAF Cc1ccc(Cl)c2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551689 ILHUBOYMCLOTQF-HTAPYJJXSA-N 407.809 4.163 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587587114 FQECTLGPKHMTDI-NTKDMRAZSA-N 421.449 4.391 0 1 HIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(I)cc1 587639042 ZGSDAWXRZNTOGO-UHFFFAOYSA-N 420.206 4.031 0 1 HIAF COC(=O)C[C@@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726924 MDMQDFUEYNKYAD-WYRIXSBYSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OC[C@H]3CO3)c2)N1 587833099 LXBSLYXRUDHRRE-QROBEVECSA-N 406.295 4.164 0 1 HIAF CNc1cccc(CNc2cccc(CCN(c3ccccn3)c3ccccn3)n2)n1 653875500 BBAIYYDBVPXQLV-UHFFFAOYSA-N 411.513 4.301 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]3(CCC(=O)O)c1c(F)cccc1Cl 963057287 NLDHLTMBCNTVFE-JOCHJYFZSA-N 414.864 4.290 0 1 HIAF CCOC(=O)C1CCN(c2ncccc2[C@@H]2c3c(F)cccc3C[C@H]3CCCN32)CC1 963088329 DXLMBMPGHAYVPV-AUSIDOKSSA-N 423.532 4.110 0 1 HIAF CN1CCc2cnn(C)c2[C@]1(CCc1cc(F)c(F)c(F)c1)c1cccc(F)c1 963955679 RGBYUDYGXDLFQK-QFIPXVFZSA-N 403.423 4.341 0 1 HIAF CC1=C[C@H](CNS(C)(=O)=O)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 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COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccc(Br)c1)[C@@H](C2)C3=O 587420449 WRYYRIIOCPJQIF-QECYYQPUSA-N 414.299 4.176 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1sccc1Br)[C@@H](C2)C3=O 587450375 FRFKQOJSMFFEOU-LTKLZPSLSA-N 420.328 4.237 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)CCC(=O)O)cc1)CC2=O 587470080 MDBJILCFTLJZKY-HSZRJFAPSA-N 411.454 4.029 0 1 HIAF CCCc1c(O)ccc2c1O[C@](COc1ccc(C)cc1)(CC(=O)OCC)CC2=O 587478641 GTQGMALGDXLOOD-DEOSSOPVSA-N 412.482 4.389 0 1 HIAF Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br 587540722 QTFLVSSIJQIROD-XLIONFOSSA-N 412.239 4.440 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581576 IBWHRTQBMUYROE-YWMUFLPLSA-N 411.454 4.122 0 1 HIAF CC(=O)C[C@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587710576 SWSOPXZQJNNIHB-CPFSXVBKSA-N 418.175 4.494 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccc(F)cc3c2=O)N1 587734365 QXULHHNFPHTNQE-NIVTXAMTSA-N 406.226 4.457 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCN(C)C)N1 587738799 CZWRRRDIQFEPIG-ZUOKHONESA-N 407.327 4.152 0 1 HIAF Cc1nn(-c2ccncc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587765827 UJAOVYXKFBQPOD-WYRIXSBYSA-N 401.283 4.101 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795371 IQDUHXRKGFWJCS-RBZFPXEDSA-N 406.295 4.319 0 1 HIAF CC(=O)NCc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587849663 VAIIRTCAWTURLC-MLCYQJTMSA-N 411.340 4.084 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)s2)N1 587850325 YLYAQKFUDVTVOU-ZMZPIMSZSA-N 411.340 4.110 0 1 HIAF O=c1c(-n2cccn2)nc(Cl)c(-c2c(F)cc(F)cc2F)n1-c1ccccc1 653796379 DXQKPMJCWPYTJE-UHFFFAOYSA-N 402.763 4.156 0 1 HIAF CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12c1c(ccc(OC)c1OC)C[C@@H](C)N2C 962623496 KKGDTGQERFFOQG-MTBKGUCKSA-N 403.563 4.411 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cccn2-c2ccccc2F)N1 962702023 HHMSWGWKPUBAKP-QFBILLFUSA-N 422.353 4.463 0 1 HIAF CC(=O)c1ccc(CO)c2c(C)c(C(=O)Nc3ccc4c(CO)cccc4n3)sc12 1772580828 JXYPGENRMHSETL-UHFFFAOYSA-N 420.490 4.197 0 1 HIAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@H]2c1cccnc1 1772585355 YONWPMMALYVGQI-FQEVSTJZSA-N 411.465 4.241 0 1 HIAF O=Cc1ccc([C@H](C2CCCC2)[C@@H]2C[C@H]([C@@H]3CC[C@@H]4CCC[C@@H]4N3)[C@@]3(O)C[N@]23)cc1 2356373531 BZPUEYCJDUYTDS-BAYTYPLNSA-N 408.586 4.086 0 1 HIAF CCOC(=O)c1cc(-c2ccccc2C)nn1C[C@H]1CC(c2ccc(OC)cc2)=NO1 36387844 WZWJOVSSEASJME-LJQANCHMSA-N 419.481 4.237 0 3 HIAF CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 773637 DAYMPGBMXHROBG-AWEZNQCLSA-N 406.816 4.441 0 1 HIAF Cc1oc(-c2ccccc2)nc1Cc1cc2cc(C[C@@H]3OC(=O)NC3=O)ccc2o1 836290 KRRBFJPDQWHBRI-FQEVSTJZSA-N 402.406 4.165 0 1 HIAF CCOC(=O)c1c(NC(=O)N(CC)C2CCCCC2)sc2c1CCN(C(C)=O)C2 13443738 UCLOPXWAPMIVNZ-UHFFFAOYSA-N 421.563 4.016 0 1 HIAF C[C@@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 26297070 XQBHGEPYNJQCEE-FQEVSTJZSA-N 406.551 4.403 0 1 HIAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3ccc(F)cc3)CC1)OCCC2 27726178 QFUGRABRLLQWMJ-JOCHJYFZSA-N 414.521 4.059 0 1 HIAF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(O)cc1 36189292 HMUJTAJHDZMXNI-MUNABGDISA-N 408.542 4.244 0 1 HIAF O=C(Cc1ccc(Cl)cc1)N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45231286 FPUWFOFVSFBMCY-KRWDZBQOSA-N 400.309 4.479 0 1 HIAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ncccc12 58519489 OXMUCRYLSXXWCZ-GOSISDBHSA-N 409.493 4.043 0 1 HIAF O=C(O)C1CN(Cc2ccc(-n3cc4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1 66098692 PTBDBLRCEHPRPZ-UHFFFAOYSA-N 415.468 4.272 0 1 HIAF Cc1cc(C)c2cc1C(=O)NCCCOc1cccc(c1)Sc1cc-2nc(N)n1 82158382 HDKDXSZAJVZYLD-UHFFFAOYSA-N 406.511 4.006 0 1 HIAF in-vitro CCOC(=O)C1=C/C(=C\CC(C)C)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 85595048 ZOXLSKQYLCIPKF-JNMQVBFRSA-N 402.487 4.039 0 1 HIAF biogenic,in-vitro Cc1cc2nc(-c3nccs3)n(-c3cc4nc(N)nc(N)c4cc3C)c2cc1C 103249544 ZSJCDAXDBJWWDN-UHFFFAOYSA-N 401.499 4.182 0 1 HIAF COc1cc(-c2cc(N3CCCC3)ccn2)nc(-c2cc(N3CCCC3)ccn2)c1 147101644 ZCWYGORLTBKUSV-UHFFFAOYSA-N 401.514 4.415 0 1 HIAF CC(C)(NC(=O)c1ccc2ccsc2c1OCCOc1ccc(F)cc1)C(=O)O 149586046 UPFZIKCYEGCTTD-UHFFFAOYSA-N 417.458 4.091 0 1 HIAF CC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 586945590 JKXCBDDWDFKVGD-UHFFFAOYSA-N 417.537 4.034 0 1 HIAF COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 586949126 QJPNGLYRRGGYMH-UHFFFAOYSA-N 421.478 4.126 0 1 HIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587035160 PAUQCADDDAEOTO-MRXNPFEDSA-N 417.498 4.025 0 1 HIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 587147681 XQFVKBSQIJBNBO-HXUWFJFHSA-N 420.400 4.467 0 1 HIAF COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 587410875 GVIJXHKUNRPXKN-RDGATRHJSA-N 415.445 4.149 0 1 HIAF CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418943 FIZBUFBCNXAHAO-KDOFPFPSSA-N 418.373 4.493 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc4c(OC)ccc(OC)c4nc1Cl)[C@@H](C2)C3=O 587420259 JKCLMJWXOOYYAU-ZSEKCTLFSA-N 411.841 4.403 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccncc1)[C@@H](C2)C3=O 587431718 LWGSOMMTBBHACM-DFBJGRDBSA-N 409.445 4.432 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OC[C@@H]4CO4)cc1)[C@@H](C2)C3=O 587455312 MEYHLNOCWXSEOM-UFPGJGBJSA-N 414.457 4.164 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(F)c(Cl)c3)nn1)CC2=O 587467010 PKDUHLYLWPHFIU-LJQANCHMSA-N 401.825 4.424 0 1 HIAF C[C@H](CC(=O)O)[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574058 YLZUQTWAVYIRMR-CGOGNOBXSA-N 422.408 4.499 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)C1CCOCC1 587588939 VKLVOTMYTNUORP-QPPBQGQZSA-N 403.434 4.071 0 1 HIAF O=C(c1ccc(N2CCCCC2)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651472 ULDZTIIURRTPNH-UHFFFAOYSA-N 402.281 4.382 0 1 HIAF Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 587839512 SMEMGJYENBOAPP-GIPWTMENSA-N 418.262 4.035 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=S)N(C)C)c2)N1 587844938 PNGWLIZNLBPZGE-BBATYDOGSA-N 423.351 4.437 0 1 HIAF COC(=O)c1cc(-n2c(O)cc(-c3ccco3)c2O)c(Cl)cc1Br 587936081 JZVQVCSTFUMKHD-UHFFFAOYSA-N 412.623 4.351 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@@H]3c3cncn3C)nc(Cl)c2C)s1 653808312 DWBQURIBJNXZJR-KBPBESRZSA-N 418.954 4.040 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2Cl)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962629823 IJJLVZSQMANZNQ-JLCFBVMHSA-N 403.906 4.040 0 1 HIAF O=S1(=O)CC[C@]2(NCCc3cccc(-c4ccccc4)c32)c2cc(F)c(F)cc21 962659169 AVOZBTGVUVNNGK-QHCPKHFHSA-N 411.473 4.199 0 1 HIAF C[C@]1(c2ccc(S(C)(=O)=O)cc2F)c2ccsc2CCN1Cc1cccnc1 962997713 SNRAMDFDESWMPF-NRFANRHFSA-N 416.543 4.008 0 1 HIAF Cc1c(O)ccc2c1[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)O)C2 963491325 MBJPSXMIYQFUQS-BBRMVZONSA-N 419.321 4.427 0 1 HIAF O=C1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1 1772580108 AKOCWANAWXSDQP-UHFFFAOYSA-N 415.371 4.246 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]21)[C@@H](OC(C)=O)C1=C(C)C(=O)O[C@H]1C3 2356480386 AMSYBMMUEQADOI-UDFPNJSWSA-N 416.514 4.030 0 1 HIAF CCCOc1ccc(C=C[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC 2356603462 HMMGEETVMNGHAC-RUZDIDTESA-N 406.526 4.430 0 1 HIAF Cc1c(C)n(C)c2ccc(C(=O)N3CCN(C4C5CC6CC(C5)CC4C6)CC3)cc12 4151166 LSUDTUZSNMFZCC-UHFFFAOYSA-N 405.586 4.378 0 1 HIAF CS[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 27551079 GLOCMASIJFEJLP-YXKQBRRISA-N 422.562 4.178 0 1 HIAF CCO/C(O)=C1\C(Cn2ccnc2)=NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl 27724515 WMMUPVZJCFTABS-LDSGZGKSSA-N 415.877 4.028 0 1 HIAF Cc1cc(C)cc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccccn3)n2)c1 29127850 AGKSAEJJQWDEES-UHFFFAOYSA-N 412.497 4.139 0 1 HIAF CC(C)N(Cc1cccc(Cl)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40405847 KSLHQAFNTOJZAB-NRFANRHFSA-N 420.891 4.008 0 1 HIAF O=C(N[C@@H](Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O)c1ccccc1 40576948 BJNBRIYDFKMEDI-QHCPKHFHSA-N 414.461 4.173 0 1 HIAF O=C(Cc1cc(F)cc(F)c1)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45202692 LVPZRYGPKOBUPH-QGZVFWFLSA-N 401.844 4.104 0 1 HIAF COc1cc(CNC[C@@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)ccc1O 95557738 FXXPZWXWDFQOMO-FNXXIHLHSA-N 411.498 4.033 0 1 HIAF CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@H]1CO 95877789 WWYFAIVXZSSBQR-AGILITTLSA-N 408.517 4.383 0 1 HIAF CCCCCC/C=C\CCCCC[C@@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 96094901 XIOFWXBRLXTMQD-KGQOZSFESA-O 414.607 4.307 0 1 HIAF in-vitro O=C(OC[C@H]1C[C@@H]2CC[C@@H]1C2)c1cc(CO)cc(C(=O)OC[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 101588487 NLHFLNGHBNUOLE-IQOSAITKSA-N 412.526 4.365 0 1 HIAF CCO/C(O)=C1/C(C)=Nc2ccccc2N=C1NS(=O)(=O)c1ccc(Cl)cc1 102468619 KERLIRLUNWOKRG-ZPHPHTNESA-N 419.890 4.261 0 1 HIAF C[C@@]1(c2cc(Nc3cccc4cc(OCCF)cnc34)ccc2F)COCC(N)=N1 143010343 BAKRUGCZKCVDEM-QFIPXVFZSA-N 412.440 4.068 0 1 HIAF Cc1nc([C@@](C)(NC(=O)c2cc(O[C@@H](C)C(F)(F)F)c(C3CC3)cn2)C2CC2)no1 149207822 KWDRDSMKCSDYLL-OVWNDWIMSA-N 424.423 4.035 0 1 HIAF Cc1cc([C@@H](N)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1 169700130 JTMLSGGBBKYZLY-URLQWDBASA-N 418.394 4.464 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1cccc(C)c1C 203895961 SEYXLDWIVZUQNP-FQEVSTJZSA-N 422.456 4.459 0 1 HIAF Oc1nc(SCc2cccc(F)c2F)nc(C2CC2)c1I 299839210 QTMVXUSWYMABHD-UHFFFAOYSA-N 420.222 4.235 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 299878684 JNYSRKXKWZPCEV-OAGGEKHMSA-N 411.506 4.062 0 1 HIAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 586945149 YXESEEOZGJSVHQ-UHFFFAOYSA-N 419.506 4.219 0 1 HIAF Cc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1Cl 586954060 ZZKSLIFQCHGYQI-UHFFFAOYSA-N 404.904 4.449 0 1 HIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cs1 587014083 JODAEUFKGQRYIV-UHFFFAOYSA-N 402.373 4.268 0 1 HIAF COc1cc(OC)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 587018613 KFYJVERIECGFDR-UHFFFAOYSA-N 409.467 4.066 0 1 HIAF Nc1ncc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(-c2ccccc2Cl)n1 587060558 JGAFWUODGVPIOE-UHFFFAOYSA-N 405.824 4.247 0 1 HIAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1)c1ccc(F)cc1 587169602 DLZHNIUGHGPQEO-SFHVURJKSA-N 417.412 4.048 0 1 HIAF CN(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170069 NNNHSZAFWMOHFI-UHFFFAOYSA-N 419.425 4.135 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2nc(Cl)ccc2[nH]1 587181443 QVXMNNQCKBCYRX-SSDOTTSWSA-N 401.639 4.050 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(Br)cc1)O2 587370262 DDAFMAPCWJABDK-IBDYFIJFSA-N 401.304 4.276 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCC(C)(C)O)O2 587375012 BAQRNHNUSFNWID-SFHVURJKSA-N 420.303 4.196 0 1 HIAF COc1cc2c3c(c1)O[C@@](C1CCC1)([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587436507 RXTCHUJQMMBJAX-RGZWJVDOSA-N 413.514 4.381 0 1 HIAF CCOC(=O)C(F)(F)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1C 587497072 FJASBYJOQQMILO-JOCHJYFZSA-N 417.452 4.439 0 1 HIAF C[C@@]1(CC(=O)Nc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566786 BBRKJXNQYSOTCU-REWPJTCUSA-N 407.397 4.280 0 1 HIAF C[C@@]1(CC(=O)OCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593716 MUIYJEMSSOVPCE-URXFXBBRSA-N 404.418 4.246 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)(F)C(F)(F)F)N1 587709548 NLZCMHWTZISMRI-UHLUBPPHSA-N 418.175 4.494 0 1 HIAF CCOC(=O)N1C=C([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 587769204 NHMCXFFNQYJXKP-CWTRNNRKSA-N 411.315 4.474 0 1 HIAF COCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587789767 CPHCOSAPALFIMU-RNODOKPDSA-N 408.311 4.411 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587792615 PPMXDTHTCBCWIA-XTZNXHDOSA-N 417.278 4.480 0 1 HIAF COC(=O)c1oc2c(c1C)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587832160 YWCYKGSALPFOJN-WVDJIFEKSA-N 422.294 4.390 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)s2)N1 587853159 LAJQWBWCLOOBFL-QTTZVWFDSA-N 406.118 4.431 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ncccn3)n2)N1 587856709 YZBGBGYBWXTIEN-PSLIRLAXSA-N 405.296 4.125 0 1 HIAF O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2c(Cl)cccc2Cl)c1O 587941863 RUUGZQADRPIWRL-UHFFFAOYSA-N 416.058 4.313 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@H](C2CCN(Cc3ccccc3)CC2)N1)C(F)(F)F 962764310 LLDRFRACDZZWJA-SFTDATJTSA-N 402.460 4.286 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OC[C@@H](C)O)cc21 1857606293 LBAHWKVORNPHHA-GOSISDBHSA-N 402.494 4.100 0 1 HIAF COc1cccc(Oc2ccc3c(c2)C(OC(=O)c2ccccc2)=CS(=O)(=O)N3)c1 1857653606 KRZHZPWKIXYXJT-UHFFFAOYSA-N 423.446 4.398 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@H]1c1c(F)cccc1Cl 1857746832 XCJPIZMMLHXLKR-INIZCTEOSA-N 405.882 4.350 0 1 HIAF CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)Nc2ccc3[nH]ncc3c2)cc1 61905512 YQGBYBJBNNGENU-XMMPIXPASA-N 404.514 4.033 0 3 HIAF CC(C)(C)OC(=O)N[C@H](CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O 5714436 JEFUTBWRCLLDDI-GOSISDBHSA-N 415.511 4.129 0 1 HIAF N#Cc1cc([N+](=O)[O-])c(Nc2cc(C3CC3)[nH]n2)cc1N[C@@H](CO)c1ccc(F)cc1 13984969 YJWOHZCFXPLCEL-IBGZPJMESA-N 422.420 4.095 0 1 HIAF CCOC(=O)N[C@@]1(C(=O)Nc2ccc(N(CC)CC)cc2)CCc2ccccc2C1 28133922 DCFRSWNYKVFXIW-DEOSSOPVSA-N 409.530 4.145 0 1 HIAF CCc1nc2ccc(C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28755306 JIJVFEZECGJVJW-UHFFFAOYSA-N 422.492 4.163 0 1 HIAF CNC(=O)c1cccc(Sc2ccc(NC(=O)NC(=O)c3ccccc3)cc2)c1 40862469 YMAJHFMBQIYUDL-UHFFFAOYSA-N 405.479 4.159 0 1 HIAF O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)c1ccc2c(c1)OCCCO2 71332469 YIIWSLXLWPRZFT-XMMPIXPASA-N 421.880 4.284 0 1 HIAF C[C@@H](c1ccccc1)N1C[C@@H]2CCCN2c2cc(Br)ccc2S1(=O)=O 72136920 HYHZQJJFICKXKO-YOEHRIQHSA-N 421.360 4.183 0 1 HIAF COc1ccc(Oc2nc(NC[C@H]3CCCO3)nc(N(C)C3CCCCC3)n2)cc1 82066493 AGUQZUJGNWCPNM-LJQANCHMSA-N 413.522 4.032 0 1 HIAF CCCCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 82081448 DBIBTYXPBMBNAX-HXUWFJFHSA-N 405.498 4.263 0 1 HIAF COC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2C 102363776 XSYGBVSQKPLETJ-XSDIEEQYSA-N 401.453 4.095 0 1 HIAF Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1 141269839 VIFMHLABYKWPLL-UHFFFAOYSA-N 409.339 4.055 0 1 HIAF CN1C(=O)[C@@H](c2[nH]c3ccc(C(=O)O)cc3c2N=O)c2cccc(Br)c21 169729515 PVKHDYBJGIJIAB-CYBMUJFWSA-N 414.215 4.135 0 1 HIAF COc1cc2nc3c(c([Si](C)(C)C(C)(C)C)c2cc1OC)Cn1c-3cccc1=O 195336591 XRGDNCFKHOYYEQ-UHFFFAOYSA-N 408.574 4.158 0 1 HIAF Cc1ccc(C(=O)N2CCc3cc4nccc(N5CCN6CCC[C@@H]6C5)c4cc32)cc1 206876694 LGQKRZRNCFXHLB-OAQYLSRUSA-N 412.537 4.031 0 1 HIAF Cc1cnn(-c2ccc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2F)c1 221130054 QXWVWXLWPUQHOJ-DNVCBOLYSA-N 424.480 4.264 0 1 HIAF CCOC(=O)c1oc2c(OC)cccc2c1Nc1cc(OC)c(OC)c(OC)c1 299852506 SZGUJKBKPLYHPN-UHFFFAOYSA-N 401.415 4.388 0 1 HIAF Cc1cc(-c2nc3cc(N)c(N)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059720 VOLNYCIBWGAFKR-UHFFFAOYSA-N 417.904 4.458 0 1 HIAF CC(C)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587259077 QCXXUNZJNRKXFF-INIZCTEOSA-N 412.437 4.038 0 1 HIAF C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511544 LOSIJSYXMVQJJL-BQMFCVJUSA-N 415.530 4.219 0 1 HIAF Nc1cccc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540614 PTUCSOQRKJDDQY-FXAWDEMLSA-N 412.239 4.440 0 1 HIAF COc1ccc2c(c1OC)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599314 FEPDBIUBRBWQHH-HYBUGGRVSA-N 404.418 4.213 0 1 HIAF O=C(c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)n1ncc2ccc(Cl)cc2c1=O 587651240 PGCPNGNRWQIFPA-UHFFFAOYSA-N 419.655 4.435 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCN(C)C)(c2ccc(O)cc2)N1 587741429 NCZDKKBVOFAGDK-RNODOKPDSA-N 407.327 4.023 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3ccnc3)cc2)N1 587752803 GFHYZYOMZRQSNB-RNODOKPDSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N(C)c2ccccc2)N1 587754294 JKDQPGCXUNYWLO-XCLFUZPHSA-N 405.311 4.391 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N(C)c2ccccc2)N1 587754818 LCTCCTZEDGCZNV-RNODOKPDSA-N 405.311 4.391 0 1 HIAF Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nn2)cc1 587761487 UUGOJFFJYYSPSN-RBZFPXEDSA-N 415.310 4.160 0 1 HIAF COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1O 587806283 JLUMYDDDEMDSLH-OVWNDWIMSA-N 410.283 4.109 0 1 HIAF CCC(/C=C/C(=O)NCC1(CC(=O)OC)CCCCC1)=C\c1ccc2c(c1)OCO2 653803720 SAMLIAMFEMIBBM-ZCQNHDJMSA-N 413.514 4.395 0 1 HIAF CCOC(=O)Cc1c(-c2ccccc2)c2ccccc2n2cnc(C(=O)OCC)c12 653825207 AMAULDQIODOUNQ-UHFFFAOYSA-N 402.450 4.437 0 1 HIAF Cc1cc(C)cc(NC(=O)C[C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962760100 CXTFKEYLWRMILQ-NQIIRXRSSA-N 404.432 4.193 0 1 HIAF CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963118235 ZCEOPAAADFQJSG-CYFREDJKSA-N 410.489 4.267 0 1 HIAF C[C@]1(c2c(N)cc(F)cc2F)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186346 SSDPVDPLDAGTOX-YOEHRIQHSA-N 420.765 4.082 0 1 HIAF Cc1cc([C@]2(c3ccc(C(C)C)cc3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)ccn1 963474106 UPSGKCOIGUFKHI-NVQXNPDNSA-N 416.521 4.418 0 1 HIAF O=C(CF)NCCOc1cccc2[nH]c(-c3n[nH]c4cc(C(F)F)ccc34)cc12 1911582525 FMRRASZIMGUHCR-UHFFFAOYSA-N 402.376 4.113 0 1 HIAF C[C@H]1CN(CCC(=O)NCc2ccc3ncccc3c2)Cc2cc(Cl)ccc2O1 11908893 LPNDUECTWQFPCT-INIZCTEOSA-N 409.917 4.178 0 1 HIAF O=c1cc(-c2ccccc2)oc2cccc(OCCCCCN3CCC(O)CC3)c12 12356339 AUSXRTGVWVREMJ-UHFFFAOYSA-N 407.510 4.466 0 1 HIAF COc1cc(OC)c2c(=O)c(OC)c(-c3cccc(Cl)c3OC)oc2c1OC 13385957 XNSGGDFUCBJSPI-UHFFFAOYSA-N 406.818 4.156 0 1 HIAF biogenic CSc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1 13588342 ATWPHSWWOSAGPH-UHFFFAOYSA-N 413.446 4.079 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)c3c(CO)cc(O)c(OS(=O)(=O)O)c3C[C@@H]12 14963801 DKGKQANSDMUTMV-YVCBRDFCSA-N 424.559 4.123 0 1 HIAF CC(C)CC(=O)Nc1cncc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 40391986 OAEOUDWDGLKKOJ-UHFFFAOYSA-N 405.483 4.068 0 1 HIAF O=C1CSC(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Br)cc2)=N1 73314461 HLYYORUNLXZMBW-INIZCTEOSA-N 418.291 4.369 0 1 HIAF CN(C)CCCOc1ccc(-c2nnc3ccc(-c4ccc5c(c4)OCO5)cn23)cc1 82082651 AKBCYAUHKODSRV-UHFFFAOYSA-N 416.481 4.123 0 1 HIAF C[C@@H](CNc1ncnc2c1nc(-c1ccoc1)n2C[C@H]1CCCO1)c1ccccc1 82188169 ZWBZYMKQQPUUAI-QFBILLFUSA-N 403.486 4.481 0 1 HIAF CC(C)Nc1cccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc12 84652291 HIRKHXQGCFMEGW-UHFFFAOYSA-N 417.517 4.080 0 1 HIAF Cc1cc(S(=O)(=O)n2ccc3ccccc32)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175197 CMKMDISZRQHMTR-APWZRJJASA-N 405.523 4.028 0 1 HIAF Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(Cl)ccc2O)cc1 96937708 YRUQYPOOAOOHPZ-FQEVSTJZSA-N 408.885 4.334 0 1 HIAF Cc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100632685 BOTJUSZAYZXPQS-RDTXWAMCSA-N 400.931 4.322 0 1 HIAF C[C@H](Nc1ncc(F)c(N2C[C@@H](C)OC2=O)n1)c1ccc(C(F)(F)F)cc1F 142102255 SCIWJCSFVAZJCT-BDAKNGLRSA-N 402.323 4.292 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CN(S(C)(=O)=O)CCC[C@@]43C)[C@@H]1CC=C2n1ccnc1 144189155 LDSRKPGJDDHJGR-FJEIJJERSA-N 417.619 4.248 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4(C)CC4)c3)C2)cc1 169709779 KKPSPUSQJJHUEC-HTAPYJJXSA-N 409.530 4.115 0 1 HIAF O=Nc1c([C@@H]2C(=O)Nc3c(Br)cccc32)[nH]c2cc(C(=O)O)ccc12 169729486 NJEJOGPXFFQZGI-GFCCVEGCSA-N 400.188 4.111 0 1 HIAF COc1cc(-c2cs/c(=N\C(=O)c3ccc(Cl)cc3)n2C)cc(OC)c1OC 207463896 BWDBNPCNOMYVEK-XDOYNYLZSA-N 418.902 4.174 0 1 HIAF Cc1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCC(F)(F)CC2)cn1 207640635 PSSGFZSWEAPGGY-QGZVFWFLSA-N 411.855 4.385 0 1 HIAF CCCCc1cc(=O)oc2cc(OCc3nc4cc5c(cc4[nH]3)OCCO5)ccc12 586919302 ZNFWOGZBBWBKHG-UHFFFAOYSA-N 406.438 4.362 0 1 HIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(I)cc2[nH]1 587070812 UJZFZEWWXHCJJC-NSHDSACASA-N 411.674 4.106 0 1 HIAF Fc1c(Br)ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587085382 VBCXNDHOHGXWAU-UHFFFAOYSA-N 410.678 4.292 0 1 HIAF Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2C 587340135 SDVFQWFVRQEDGS-ZJSXRUAMSA-N 403.409 4.071 0 1 HIAF CN(C)/C=C/[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341932 ZUYJENHJHDWQTN-LGKGCUSLSA-N 404.441 4.256 0 1 HIAF CC[C@]1([C@H](C(=O)OC)C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351620 NBJVFEBYZHTPPG-SXWKCWPCSA-N 400.446 4.484 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CC2=O 587474862 KLPWYGFTSGFTEL-KOCGSJPCSA-N 401.503 4.182 0 1 HIAF C[C@]1(c2ccc(N3CCCC3)nc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573523 ZEHXZXLGVUYAQZ-GBXCKJPGSA-N 420.440 4.404 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1N1CCCCC1 587597450 VGEYIGMTQRYKKV-REWPJTCUSA-N 402.450 4.480 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(C(F)(F)F)cc2)N1 587711807 ILDHPQMBZZGEMY-QGHHPUGFSA-N 418.228 4.377 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726408 XFZHCNNEPBSPPJ-FKIZINRSSA-N 424.285 4.377 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)N1 587741657 HXHWTQCWMISADZ-CILWKZBWSA-N 413.331 4.395 0 1 HIAF Cc1cccnc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587745460 WGQBCDOTVOCSLD-BLVKFPJESA-N 406.299 4.070 0 1 HIAF C[C@H](Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)O 587790665 HFXSQPLYBIHANX-DDBGAENHSA-N 408.267 4.064 0 1 HIAF COC(=O)/C=C/c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587805142 GVUSYGUQUSWVIP-YXIYFXIDSA-N 404.279 4.398 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3nc[nH]n3)o2)N1 587843277 IDGBQYHSZMHHJF-AYVTZFPOSA-N 409.284 4.074 0 1 HIAF O=C(CCCc1c[nH]c2ccccc12)N1CCCN(c2noc3ccccc23)CC1 653709100 CHIUMWGJJACOTM-UHFFFAOYSA-N 402.498 4.371 0 1 HIAF CC(C)(C)OC(=O)N1CCC(=O)[C@@H]([C@@H]2NCCc3cc(-c4ccccc4)ccc32)C1 962659281 BPLWWZDUBCYVQX-JTHBVZDNSA-N 406.526 4.367 0 1 HIAF N[C@H]1C[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccc(F)cc21 962960002 RKBXKCABFFXHCC-RXVVDRJESA-N 406.423 4.143 0 1 HIAF COc1ccc(Br)cc1C[C@]1(C(F)(F)F)NCCc2c(C)ccnc21 963064686 CCLDTRHWZLVJGF-KRWDZBQOSA-N 415.253 4.307 0 1 HIAF CCCCCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1OCC 963506061 DTKBYYPPTZPNCB-MBSDFSHPSA-N 413.514 4.357 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CCC4)cc3[C@@H](O)C2)cc1 1772629908 YZMCASQXPLMAIT-GKVSMKOHSA-N 408.542 4.112 0 1 HIAF Cn1ncc2c(=O)n(-c3ccccc3Cl)c(SCc3cccc(F)c3)nc21 1857763418 DJFOUQFRAAFZEP-UHFFFAOYSA-N 400.866 4.204 0 1 HIAF CC=CC=CC=CC(=O)O[C@@H]1C[C@H](C(=O)O)[C@H](C(=O)O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356850046 PNSRNDBLICHUMY-OPXVQKCBSA-N 404.503 4.225 0 1 HIAF Cc1cccc(NC(=O)N[C@@H]2C[C@H](N3CCCCCC3)c3ccccc3N(C)C2=O)c1 602160 VOTOZHKAYLGZKY-GGAORHGYSA-N 420.557 4.469 0 1 HIAF Cc1cccc(C(=O)NCc2nc(-c3ccccc3NC(=O)[C@H]3CCCO3)oc2C)c1 11971145 FZIFGERSZABFOA-OAQYLSRUSA-N 419.481 4.006 0 1 HIAF COc1cc([C@@H]2Oc3c(OC)c(Cl)c4ccc(=O)oc4c3O[C@@H]2C)ccc1O 13400381 YAFMPQNTPUSIBR-JDNHERCYSA-N 404.802 4.070 0 1 HIAF biogenic C[C@@H]1/C=C/[C@H](O)/C=C(\Cl)CCOC(=O)C2=CC[C@@H]3CCC[C@@]4(CCC[C@@H]14)N3C2 15266403 ONRNPNQJAQBNOL-KSYYMMPFSA-N 405.966 4.333 0 1 HIAF CCN1CCN(c2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc23)CC1 20108101 LXJCXSJGUBULGH-UHFFFAOYSA-N 412.896 4.422 0 1 HIAF COc1ccc([C@@H]2[C@@H]([S@@](=O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 27855909 XWUQQQBMFUKYLG-VDWGHMIBSA-N 405.519 4.143 0 1 HIAF COc1ccc(C(=O)NC2CCN(Cc3ccc4ccccc4c3)CC2)cc1OC 36351823 SVIDCSPXOPXAMX-UHFFFAOYSA-N 404.510 4.251 0 1 HIAF COc1cc(-c2ccc3ncc(-c4cccc(C(C)=O)c4)n3n2)cc(OC)c1OC 82082588 UWWBZFRBZKOLOR-UHFFFAOYSA-N 403.438 4.292 0 1 HIAF Fc1ccc(CCOc2cncc3nnc(Nc4ccc(F)c(F)c4)n23)cc1F 103302993 MBKZMCLRDLFTKO-UHFFFAOYSA-N 403.339 4.046 0 1 HIAF CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)O)cc2)c(O)c2ccccc21 141604527 AXXMRDVYSRUCIM-UHFFFAOYSA-N 408.454 4.238 0 1 HIAF Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)CC3)nn1C 169702213 OHIQRLLKUDGSME-UHFFFAOYSA-N 405.893 4.082 0 1 HIAF COCCC1CCN([C@@H](CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1 198333638 QZMPTOFKVGAMTP-SANMLTNESA-N 413.650 4.427 0 1 HIAF O=C(Cc1ncccn1)N1CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1 206214136 KMOUVQLYURRDIU-UHFFFAOYSA-N 413.399 4.126 0 1 HIAF Cc1cc(C)nc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@H]3C)c1 225976546 DKMRXVCUOIHSIP-ZDUSSCGKSA-N 416.312 4.345 0 1 HIAF C[C@@H]1c2ncn(-c3ccc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1F 226014596 AKARXLACIWHCCM-LLVKDONJSA-N 422.357 4.324 0 1 HIAF CC1=CC[C@@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@H]1CCC1=CC(=O)OC1 238739619 DJNBAZMKPVTPNB-YBJWPOLQSA-N 418.530 4.435 0 1 HIAF CN(C)C(=O)[C@@]1(c2ccccc2)CC(O)=C(Sc2ccccc2Cl)C(=O)O1 299823776 UUMLTAIJFDZQSD-FQEVSTJZSA-N 403.887 4.132 0 1 HIAF COc1cc(OC)c(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)cc1OC 299834963 UAVLUPLFJPDQJN-UHFFFAOYSA-N 400.381 4.305 0 1 HIAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 586914408 VWTAXWGUWWMLAF-HNAYVOBHSA-N 415.515 4.045 0 1 HIAF Cc1ccc(-n2cnnc2SCc2nc3cc4c(cc3[nH]2)OCCO4)cc1Cl 586968926 YLQRMSJFCHLSGM-UHFFFAOYSA-N 413.890 4.169 0 1 HIAF COc1ccc(C(=O)c2ccccc2-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1F 587144216 JWYSFDJOYYSPCP-UHFFFAOYSA-N 416.334 4.369 0 1 HIAF CN(C)CCOc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587168184 URONDJJIVSQBKE-HXUWFJFHSA-N 411.481 4.011 0 1 HIAF O=c1c(-c2nc3cc(Br)cnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171078 IVADTGFAMQSBPF-UHFFFAOYSA-N 417.213 4.315 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585340 CHJNZKCADMDFMA-BMBTUGTFSA-N 423.465 4.264 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614979 DZFJOURUHYDEPY-XXBNENTESA-N 406.390 4.185 0 1 HIAF Cn1c(=O)sc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587616101 BEZVZZHGPCEPQU-GHTZIAJQSA-N 405.431 4.009 0 1 HIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)NCCCc1ccccc1 587623111 LCFQKSDZIMHPFE-UHFFFAOYSA-N 411.303 4.478 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(C(=O)O)N1 587728996 BRZKHEJEQXFZQY-AOOQMHFFSA-N 408.242 4.255 0 1 HIAF COc1ccc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587739186 GJKMIVUZMHPCLG-GGHGJACCSA-N 419.338 4.450 0 1 HIAF Nc1nccn2c(-c3cccc(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)cnc12 653791276 CXTWFLPFGVVDIY-UHFFFAOYSA-N 413.359 4.129 0 1 HIAF CCCCCCOc1ccc([C@@]2(CCCC(=O)O)c3c(cnn3C)CCN2C)cc1 963953558 BCHDJKFKOPYGAK-DEOSSOPVSA-N 413.562 4.366 0 1 HIAF COc1ccc2c(Oc3ccc(NC(=O)CN4CCCCC4)cc3)cc(=O)oc2c1 1857570228 IALODHIXOQFCAG-UHFFFAOYSA-N 408.454 4.018 0 1 HIAF CCC/C=C/C[C@@H]1C[C@@H]2C=CC(C)=C[C@H]3C=C[C@@H](O)[C@@H](O)[C@@H]3C(C)=CC=C[C@H]2C(=O)N1 1857627946 FNHBTFMUTRPDSA-LESVFYMKSA-N 423.597 4.396 0 1 HIAF Clc1ccc2[nH]c3c(c(=NCc4cn(Cc5ccccc5)nn4)c2c1)CCCC3 1857628297 AAZBXMSXAHFYME-UHFFFAOYSA-N 403.917 4.441 0 1 HIAF Cc1cccnc1CN1C[C@H](F)[C@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 2356299182 ARKCTNYFGHCAEF-KBXCAEBGSA-N 408.399 4.024 0 1 HIAF COc1ccc(CCC(=O)C[C@@H]2CCC[C@H](CC(=O)CCc3ccc(O)cc3)N2)cc1 2356375946 JGDGIEYGWBIOHI-YADHBBJMSA-N 423.553 4.395 0 1 HIAF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@H]3C=CC4=C(COC4=O)[C@]23C)cc1 2356519833 QUYNMBZRMCYARM-OTPAQWSUSA-N 408.494 4.486 0 1 HIAF COc1cc(NC(=O)c2ccno2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 13682493 CSZYYTNJILHNAA-UHFFFAOYSA-N 405.332 4.207 0 3 HIAF CC1CCN(c2ccc(C(=O)O)cc2NS(=O)(=O)c2ccc(Cl)s2)CC1 201460238 ZKUUWUWFDNLHKO-UHFFFAOYSA-N 414.936 4.137 0 3 HIAF CC(C)c1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 205210461 NWNPTAOXXNVKOO-MAUKXSAKSA-N 422.909 4.026 0 3 HIAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 768697 OQPYEYVETXDPGO-UNMCSNQZSA-N 412.917 4.414 0 1 HIAF CC(C)N1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2112614 DEZYTGGBQKCPCL-BXKMTCNYSA-N 421.928 4.261 0 1 HIAF biogenic C[C@H](CNc1ccc(-c2occc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 3988151 YFYQFWWLQLLILT-VLIAUNLRSA-N 414.889 4.422 0 1 HIAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cccc(OCC)c1 4153240 MARULYAQJNQIKM-FYYLOGMGSA-N 410.514 4.492 0 1 HIAF CN(C)CCn1ccc2ccc(NS(=O)(=O)CCc3cccc4ccccc34)cc21 13611700 YBMWPCIPYFXGAM-UHFFFAOYSA-N 421.566 4.341 0 1 HIAF N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(F)c(Cl)c1)C(=O)O 27103331 XIKRXMZIKQWASH-QHIITQONSA-N 403.818 4.473 0 1 HIAF O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ccc(Cl)cn2)CC1 28711619 SALDQMKGRXMXGW-UHFFFAOYSA-N 414.283 4.262 0 1 HIAF COc1cc(/C=C\Cc2cc(OP(=O)(O)O)c3ccoc3c2)cc(OC)c1OC 40762510 OXLGZFQZIQILCZ-XQRVVYSFSA-N 420.354 4.186 0 1 HIAF Cc1sc(CNCCCNc2cc(=O)c3ccccc3[nH]2)cc1Br 45195277 OAARPBXJBAVSBL-UHFFFAOYSA-N 406.349 4.252 0 1 HIAF CC(=O)n1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc2ccccc21 50861822 JDBJIBGHSPVGLP-UHFFFAOYSA-N 409.389 4.326 0 1 HIAF Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CN)cc3)ccc2n1 71296874 ZOCOINVGSJZJEQ-UHFFFAOYSA-N 412.493 4.415 0 1 HIAF Nc1cc(C(=O)N[C@@H]2c3ccccc3-c3c(-c4nc5cnccc5[nH]4)cccc32)ccn1 72318450 MLQIPNRXDPWOES-HSZRJFAPSA-N 418.460 4.102 0 1 HIAF in-vitro NC(=O)C(CCCN1CC[C@H](Oc2ccccc2)C1)(c1ccccc1)c1ccccc1 73139119 XKGBDMVXPVMRSW-VWLOTQADSA-N 414.549 4.392 0 1 HIAF Cc1csc(-c2[nH]c(C(=O)Nc3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 73312547 NYIFAPSURVTUBT-UHFFFAOYSA-N 404.451 4.490 0 1 HIAF CCOC(=O)Nc1cc(N[C@H](C)CCCN(CC)CC)c2nc(C)c(C)nc2n1 82160732 CUSZZQWSAOXSHQ-CQSZACIVSA-N 402.543 4.132 0 1 HIAF CN1CCC[C@@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCC3CC3)ncnc21 82179911 VMJSOYWVNUDYOT-GOSISDBHSA-N 410.953 4.453 0 1 HIAF CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C 82188759 COPFLTKCKHKKSY-UYAOXDASSA-N 406.578 4.479 0 1 HIAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCC2)[C@H]1CO 95878246 VPPSXNQJMZMNKY-ZTCOLXNVSA-N 405.542 4.180 0 1 HIAF O=C1N(c2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)N1Cn1ccnc1 103167119 SUDZIMGFEOIKDX-UHFFFAOYSA-N 408.461 4.253 0 1 HIAF CC(C)(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl 103253849 FGWOYLFOCSKTSC-UHFFFAOYSA-N 412.342 4.357 0 1 HIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2ncccn2)c1 167118378 FXOWSSZWOAIRHF-VQIMIIECSA-N 403.482 4.271 0 1 HIAF CCc1ccccc1C(=O)Nc1ccc(Cn2nc(CC)c(CC(=O)O)c2CC)cc1 168885762 XFTVWAISMGQEGK-UHFFFAOYSA-N 419.525 4.498 0 1 HIAF COC(=O)/C1=C/CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2C[C@H](OC(C)=O)/C(C)=C/CC1 169369454 JQCWXJKSJTVECI-KSENEAFASA-N 402.487 4.116 0 1 HIAF CC(C)(C)c1ccc(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)c2)cc1 169710041 ZPXXNLAUWXCOEK-UHFFFAOYSA-N 401.514 4.171 0 1 HIAF Fc1cnc(Cl)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 587000528 HOXNLTLGNOGGRE-OWOJBTEDSA-N 410.630 4.455 0 1 HIAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnc2c(C(=O)O)cnn12 587106833 NKKJWTACJJIKPO-UHFFFAOYSA-N 406.401 4.163 0 1 HIAF COc1ccccc1Nc1ccccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587241308 YWNZTVPFZZMGPC-UHFFFAOYSA-N 422.510 4.232 0 1 HIAF CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430526 IJFPMXIHUNCPFM-RVSNTGDXSA-N 417.461 4.138 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4ccccc4)n1)[C@@H](C2)C3=O 587450806 KZZQAAIZUYXPFL-HRAATJIYSA-N 406.463 4.325 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(OCC(=O)O)c(OC)c1)CC2=O 587483584 RHFXRLYNZRSEKB-HSZRJFAPSA-N 414.454 4.087 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cc3ccccc3o1)CC2=O 587484301 SJAXKGORQACPBW-XMMPIXPASA-N 422.433 4.084 0 1 HIAF O=NCC1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587569205 FVVHHYWFHTYPBX-OFNKIYASSA-N 401.374 4.292 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587582295 ZLVNPUJTRUCIKK-ZPBXOSQXSA-N 411.454 4.170 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc2c(c1)CCCC2 587604472 UGRXYNAATNVGHF-BWKNWUBXSA-N 416.429 4.213 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3[nH]cnc(Cl)c2-3)N1 587702521 DNBXMZPJYPQORQ-RBHXEPJQSA-N 409.690 4.262 0 1 HIAF COC(=O)CC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587732428 NDESBXBYFAFCOF-ODXCJYRJSA-N 424.285 4.458 0 1 HIAF COC(=O)C[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587734129 SUCCZQNWSKGWLV-WYRIXSBYSA-N 410.258 4.068 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587735214 XFTILGGSEFZGOG-YUNKPMOVSA-N 424.285 4.458 0 1 HIAF COc1ccc2c(c1)nc([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)n2C 587760601 ZBSPVCFGQVEAGR-MGNBDDOMSA-N 404.283 4.107 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cnn(C)c2)N1 587766335 VIUFCJPGQPCCFW-RNODOKPDSA-N 400.295 4.148 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCC(=O)N3C)N1 587775748 UMBRKQOWRPRTDE-BIBXISHDSA-N 403.295 4.121 0 1 HIAF COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)=O 587804510 BOJXFIATBDBUHP-MGNBDDOMSA-N 408.267 4.146 0 1 HIAF O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2ccccc2)c1O 587946437 SZZXNUOZTGJONA-UHFFFAOYSA-N 422.441 4.026 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CCC4=C[C@]5(CC[C@@]43C)NCCc3ccc(O)cc35)[C@@H]1C[C@H](O)[C@@H]2O 963344164 ZTUUMTBXIXBZDG-MMCSNHJTSA-N 423.597 4.028 0 1 HIAF COc1ccc(S(=O)(=O)N(Cc2ccc3c(n2)C=CC(C)(C)O3)C2CCC2)cc1 1772593669 XKZVMCGCZPAXHV-UHFFFAOYSA-N 414.527 4.018 0 1 HIAF Cc1cc(C)cc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCOCC2)c1 1772654139 XTYGPYPNANXKMW-UHFFFAOYSA-N 416.930 4.174 0 1 HIAF C=CS(=O)(=O)Nc1ccc(Cc2ccc3ccccc3c2)c(OC2CCNCC2)c1 1857581694 MUCBXICHKRFGNH-UHFFFAOYSA-N 422.550 4.447 0 1 HIAF Cc1ccc(N=c2[nH]c3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)cc1F 1857590211 HLGMORDKLMTTGN-UHFFFAOYSA-N 400.866 4.417 0 1 HIAF COc1cc([C@H]2CC(=O)Oc3cc(O)cc(C=Cc4ccc(O)cc4)c32)ccc1O 2356512399 ZYHGYHJVGNKOFF-LJQANCHMSA-N 404.418 4.423 0 1 HIAF O=C(C=Cc1ccccc1)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 2356679881 LCPXFIYCSRAKAD-ZEQRLZLVSA-N 402.402 4.039 0 1 HIAF CS(=O)(=O)c1ccc(-c2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)cc1 61908422 BGTJERROOYDHRP-QGZVFWFLSA-N 413.442 4.012 0 3 HIAF CCCc1nc(C)n2nc(C)nc2c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 3786587 DSRBYBWAYNAFOZ-UHFFFAOYSA-N 424.512 4.132 0 1 HIAF C[C@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 10450412 AMBKWLUZPIHZSU-SNVBAGLBSA-N 422.717 4.311 0 1 HIAF CCN1c2ncc(COc3cccc(OC)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 13780568 HCXYAWFMXOIQEC-UHFFFAOYSA-N 424.888 4.466 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C[C@@H]1C[C@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 25990312 GDBHWWGVCRIESX-HIOAPMMISA-N 406.563 4.255 0 1 HIAF C[C@H]1CCC[C@@H](c2cc(-c3ccc(N4CCOCC4)nc3)nc3ncnc(N)c23)[C@@H]1C 27984790 LRVYIKQEJRCWSM-LZLYRXPVSA-N 418.545 4.045 0 1 HIAF CCCNC(=O)C[C@]1(C)[C@@H](OC(C)=O)CC[C@H]1[C@@H]1CCc2cc(OC)ccc2C1 28366573 QJIFJABLIXCGPV-LTYHASHMSA-N 401.547 4.064 0 1 HIAF O=C(OCCF)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1N2CCCF 28387184 XXLBWUCJODELRH-MLHJIOFPSA-N 416.306 4.258 0 1 HIAF O=C(CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1)N1CCC1 29125868 AHYJJRYVKWKTAF-UHFFFAOYSA-N 418.516 4.295 0 1 HIAF O=C(Nc1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72103493 CJIUNPOFGYAIHU-NRFANRHFSA-N 407.905 4.069 0 1 HIAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1ccc(C(F)(F)F)cc1 73141818 QBHOSUNKLBANFW-ICSRJNTNSA-N 408.372 4.104 0 1 HIAF CC(C)c1nc2c(NCCCc3ccccc3)ncnc2n1CCN1CCCCC1 82180028 DHINNFOKVDGMJT-UHFFFAOYSA-N 406.578 4.480 0 1 HIAF CN(C)CCOc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2C2CC2)cc1 84671769 JENALEYJPZWYNC-IBGZPJMESA-N 421.545 4.034 0 1 HIAF CCCCOc1c(OC)c(OC)cc2c1C(=O)[C@@H]1[C@H]2Nc2ccccc2[C@@H]1C(=O)O 95588299 PZWAWZBICJQPIQ-WDSOQIARSA-N 411.454 4.030 0 1 HIAF NCc1ccc(-c2cccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c2)cc1 101172096 VYGWBYSWNDUNGO-UHFFFAOYSA-N 412.489 4.422 0 1 HIAF CC1(C)CCN(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccc(F)cc3)c21 101668373 BFXQFSUOOFMKKB-MXDSDUJGSA-N 423.532 4.075 0 1 HIAF COc1ccc(-c2nc(S(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1 299826379 ZOUDHVWDOCECCM-UHFFFAOYSA-N 417.899 4.248 0 1 HIAF COc1ccc(-c2nc3ccccn3c2Nc2cc(OC)c(OC)c(OC)c2)cc1O 473166264 FVWYPKPSDXZIJP-UHFFFAOYSA-N 421.453 4.485 0 1 HIAF CN(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929014 OXFFTTMJMBHARE-UHFFFAOYSA-N 421.803 4.195 0 1 HIAF CCOc1n[nH]c(-c2nc3cc(C)c(Br)cc3[nH]2)c1Br 586979893 XWOJHTRUVPGWIN-UHFFFAOYSA-N 400.074 4.185 0 1 HIAF CCc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)cs2)cc1 587016230 SCXMXKOYBZKWSX-UHFFFAOYSA-N 412.540 4.166 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 587017956 RSZMKYMTLFCNCK-UHFFFAOYSA-N 418.272 4.419 0 1 HIAF Clc1ccc(C2=C[C@H](c3nc4ccc(I)cc4[nH]3)ON2)cc1 587077569 WMWVRWPTJVHXDF-OAHLLOKOSA-N 423.641 4.438 0 1 HIAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587247463 MNMMBJLYHQQQDC-UHFFFAOYSA-N 412.493 4.314 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OC[C@H]1CCCO1)[C@@H](C2)C3=O 587420725 QYYZMQKQWAHHEY-UVQUFPMPSA-N 400.858 4.395 0 1 HIAF Cc1cc2c(cc1Br)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587499632 SWQNTOKLCQHCEG-NRFANRHFSA-N 412.283 4.449 0 1 HIAF CN(C)C(=O)Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572826 RDBCFGSQOOBSLK-SIKLNZKXSA-N 405.406 4.156 0 1 HIAF COc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587581607 WOPDYDAEXGIPMQ-XUZZJYLKSA-N 419.433 4.150 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1(C(=O)O)CC1 587612826 WSPVHNITUGIRCB-NTKDMRAZSA-N 402.402 4.114 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(C(=O)O)N1 587703751 ZUFMXOMYICAILH-MGNBDDOMSA-N 412.686 4.298 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587758195 BYAJLFWRUJOKCH-QFSBIZTOSA-N 413.331 4.421 0 1 HIAF COCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587796932 UNAPJLRLAGKUIY-FKIZINRSSA-N 424.310 4.246 0 1 HIAF COC(=O)c1cc(OC)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807210 KDJFFTMTMSDONX-MGNBDDOMSA-N 408.267 4.007 0 1 HIAF CCc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(S)n1 587841428 BJBSRPBRORDNBN-LZVRBXCZSA-N 410.356 4.335 0 1 HIAF CCc1ccc(C(=O)CCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 587955754 NKHWQWDYIQTKRW-UHFFFAOYSA-N 401.260 4.402 0 1 HIAF COc1cc2c(cc1OC)[C@@]1(CCC(c3ccccc3)=C1CC(=O)O)N(C)[C@H](C)C2 962636288 YTNMRZWQNQXRHB-PUAOIOHZSA-N 407.510 4.498 0 1 HIAF Cc1cc(C)c([C@@]2(CC(C)(C)C(=O)O)c3ccsc3CCN2C(N)=O)c(C)c1 962711963 MXFQSHORXOZYDK-JOCHJYFZSA-N 400.544 4.355 0 1 HIAF COC(=O)c1cccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962952266 GYXXGYAWBLWFQB-LJQANCHMSA-N 405.416 4.233 0 1 HIAF O=S(=O)(c1cccc(Cl)c1)n1cc(C2=CCNCC2)c2ccc3cccnc3c21 1857750732 PCVKOMJMBVHGIH-UHFFFAOYSA-N 423.925 4.457 0 1 HIAF CC1(C)[C@H]2CC[C@]3(C)[C@H](C[C@H](O)[C@@H]4[C@H]([C@@H]5C=CC(=O)O5)CC[C@@]43C)[C@]2(C)CC[C@H]1O 2356638373 BHCIGQMFNDFUAU-KWABXLLTSA-N 416.602 4.485 0 1 HIAF COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCCCc1ccccc1)C(C)(C)C)CC2 13588130 BKDJKRNDJKWZFN-XMMPIXPASA-N 424.585 4.226 0 1 HIAF O=C(O)[C@@H](CCOc1cccc2ccccc12)CN1CCN(c2ccccc2)CC1 26666139 OTDRUQFCAVFJCN-NRFANRHFSA-N 404.510 4.132 0 1 HIAF Cn1c(SC[C@@H]2C[C@](C)(O)CC(=O)O2)nc(-c2ccccc2)c1-c1ccccc1 27438250 OVAVVUWNFATFSO-MBSDFSHPSA-N 408.523 4.303 0 1 HIAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2Cl)[C@@H]2CCN(C=O)C2)cc1 28823644 CGLHUULHADPSJH-HXUWFJFHSA-N 414.933 4.043 0 1 HIAF COP(=O)(OC)C(O)(C(C)(C)Oc1ccc(Cl)cc1)P(=O)(OC)OC 29223476 VCZOCXOJHSKGHM-UHFFFAOYSA-N 416.731 4.115 0 1 HIAF O=C(NC1CCCCC1)c1cn(Cc2ccc(F)cc2)c2nc(Cl)ccc2c1=O 35050292 DQKYSIYORZUPAL-UHFFFAOYSA-N 413.880 4.300 0 1 HIAF COc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1 45288231 HJLCHLAAXMALNR-UHFFFAOYSA-N 409.559 4.217 0 1 HIAF O=S(=O)(Cc1nnc(-c2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1 64750438 JXFSIUYVBWLNJX-UHFFFAOYSA-N 400.312 4.454 0 1 HIAF O=c1c(Cl)c(OCc2ccc(F)cc2F)cc(CO)n1-c1c(F)cccc1F 72171955 FLFQSJTVQZCKBB-UHFFFAOYSA-N 413.754 4.119 0 1 HIAF COc1ccc(CCNc2ncc(C(=O)NCC3CC3)c(-c3ccccc3F)n2)cc1 82151641 MMWSSFNXKYAQQK-UHFFFAOYSA-N 420.488 4.086 0 1 HIAF COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(C)cc1 95561598 XLTAUYZYNOXGKZ-QHCPKHFHSA-N 403.478 4.088 0 1 HIAF O=C(O)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 103627675 ZCONSCVKPFDFHR-GOSISDBHSA-N 401.422 4.490 0 1 HIAF CCCCCOc1ccc(C(=O)N[C@H](C)C(=O)N[C@H]2CCc3ccccc3C2)cc1 135766833 CVJUGGSXRCYDMH-GCJKJVERSA-N 408.542 4.048 0 1 HIAF Clc1ccccc1-c1ccc2cnc(Nc3cnccc3O[C@H]3CCCNC3)n2n1 142972796 FEDDHEIASVADKE-INIZCTEOSA-N 420.904 4.319 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@@]4(C)[C@@H]3CC[C@@]12C 169713501 JPOAJVXSZNVFCE-IHYSDUSSSA-N 406.586 4.282 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cc(C)c2[nH]1 586937710 SCLXBRMMTKXCBH-HNNXBMFYSA-N 409.964 4.297 0 1 HIAF COc1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961126 PQKXCCJAMYLZRP-SNRMKQJTSA-N 411.527 4.266 0 1 HIAF Clc1cnc(Cl)c2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc12 586970369 YIIUPIPYIBBKFR-UHFFFAOYSA-N 422.253 4.336 0 1 HIAF COC(=O)c1cc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2cc1OC 587017689 OQZIIFWCRYJGGU-UHFFFAOYSA-N 400.847 4.197 0 1 HIAF Clc1ncc(Br)c2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587038604 AWWHGVRJWGFSJP-NWDGAFQWSA-N 409.740 4.320 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cnc(Cl)[nH]c-2n1)c1cccc(Cl)c1 587071353 LIJDPGKEXCUXMF-LBPRGKRZSA-N 408.289 4.420 0 1 HIAF CCOC(=O)C[C@H](Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(=O)OCC 587106114 IHQMDTNXPBSRMU-HNNXBMFYSA-N 417.461 4.121 0 1 HIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587202267 DEDVHBSRJGABSJ-UHFFFAOYSA-N 405.380 4.494 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 587230188 FXWZZBNEQKWGKG-RTBURBONSA-N 407.514 4.178 0 1 HIAF COC(=O)c1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1OC 587242697 ZRRSHYKUDHDBLK-UHFFFAOYSA-N 413.430 4.078 0 1 HIAF CCOC(=O)c1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587258394 JYLVTWKEVNJDEG-IBGZPJMESA-N 416.481 4.312 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)O2 587373961 UUOBBSPWQWSLPY-CQSZACIVSA-N 401.677 4.175 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COCC(F)(F)F)c1)[C@@H](C2)C3=O 587420518 KTFDWIPPJSLEIS-YWZLYKJASA-N 408.372 4.271 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 587486833 MFWUOCBWSIGLHX-WNHYQHMGSA-N 401.503 4.468 0 1 HIAF Nc1ccc(O)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587512293 WNKSRYIJVDYDLU-SANMLTNESA-N 411.457 4.307 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(cc2Cl)OCCO3)N1 587695956 KFZHCUSXKQNGAK-VPTHRUTESA-N 413.674 4.031 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587772848 XJFRRMWSDMSHKW-XBFCOCLRSA-N 411.315 4.101 0 1 HIAF CCC[C@@H](CC1(c2nc3cnnc(O)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782574 UWIPZBJQIADATN-KRWDZBQOSA-N 408.502 4.420 0 1 HIAF C[C@@H](C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O 587827667 LUCQHFATOULJOW-RDXCRGQUSA-N 406.295 4.477 0 1 HIAF Cc1nn(C[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1Br 587872581 OOEGAMRGGXWANW-VIFPVBQESA-N 419.254 4.347 0 1 HIAF CCc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 587955511 LQOCGNRIRREXQH-UHFFFAOYSA-N 410.417 4.234 0 1 HIAF Cc1c(F)ccc2c1[C@@H](c1c(Br)ccnc1Br)NCC2 962086935 CNLHOXDNKLXWJK-AWEZNQCLSA-N 400.089 4.289 0 1 HIAF C[C@]1(c2cnc(-c3cccc(Cl)c3)s2)N[C@H](C(=O)O)Cc2cccc(F)c21 962900326 PSECHGRLYBXPEY-MGPUTAFESA-N 402.878 4.465 0 1 HIAF CN(C)C(=O)c1cccc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962963725 WYUOTUFPFAKUJO-FQEVSTJZSA-N 418.459 4.148 0 1 HIAF C[C@]1(c2ccc(NC(=O)N3CCc4ccccc4C3)cc2)NCCc2ccc(O)cc21 963327846 AKFNXDQTPWDBHF-AREMUKBSSA-N 413.521 4.392 0 1 HIAF O=C(N[C@@H](Cn1ccnc1)C(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 1857555947 VGZAHXJSBCCPHJ-QHCPKHFHSA-N 413.452 4.371 0 1 HIAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5cccc(Cl)c5)cc4)c12)CCC3 1857606280 JTQFKTQPNVVZSM-UHFFFAOYSA-N 417.900 4.156 0 1 HIAF Cc1c(C(=O)N2CCCCC2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc12 2459782 POVDHEPFCFYWAV-HOTGVXAUSA-N 418.559 4.034 0 3 HIAF CCC(=O)Nc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1ccccc1Cl 644287 WYUCENFIDKZVSX-UHFFFAOYSA-N 408.889 4.073 0 1 HIAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)c3c(CO)cc(O)c(OS(=O)(=O)O)c3C[C@@H]12 14963798 DKGKQANSDMUTMV-ZYOFANERSA-N 424.559 4.123 0 1 HIAF biogenic CCNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1 35997162 LNGVCHKMQJKHDR-UHFFFAOYSA-N 401.492 4.110 0 1 HIAF O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(F)c(O)c(F)c1 40849076 AFNSLEHMMNEKNL-UHFFFAOYSA-N 423.007 4.153 0 1 HIAF C/C(=C\CC/C(=C/C[C@H]1OC(=O)C=C1CO)CO)CC[C@H]1C(C)(C)CCC[C@@]1(C)O 40943474 BYAXMGMKQCMKDN-GWCCRDRTSA-N 420.590 4.223 0 1 HIAF O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccnc3ccccc23)C1 45202825 DZGXQOPZHDNVIX-CQSZACIVSA-N 411.303 4.398 0 1 HIAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2ccc(F)cc2)C1 82139572 SVQHPWZEKNKKKN-IAGOWNOFSA-N 414.525 4.382 0 1 HIAF COc1ccccc1CCNc1ncc(C(=O)NCC2CC2)c(-c2ccc(F)cc2)n1 82140212 UTJPBWDOIHDNLG-UHFFFAOYSA-N 420.488 4.086 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1F 82152275 VVAGINSKMJAXRV-AWEZNQCLSA-N 422.460 4.152 0 1 HIAF Cc1nnc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2-c2ccc(F)cc2)nc1C 84587904 ZESHGJJQSZYZFC-CQSZACIVSA-N 422.489 4.086 0 1 HIAF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc2c(c1)OCCCO2 95589070 KFGIPVXQPLKUSS-GOSISDBHSA-N 415.287 4.308 0 1 HIAF C[C@H]1CN(c2nc(N[C@@H](C)c3ccc(C(F)(F)F)cc3F)ncc2F)C(=O)O1 142102384 SCIWJCSFVAZJCT-IUCAKERBSA-N 402.323 4.292 0 1 HIAF c1ccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)nc1 146437696 DGHCWTDEOSPNER-UHFFFAOYSA-N 423.586 4.082 0 1 HIAF COc1cccc(N2C(=O)c3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@@H]23)c1 169303858 GTCWNIWNZIWVCA-QFIPXVFZSA-N 416.433 4.032 0 1 HIAF CCN1C(=O)c2ccccc2[S@](=O)c2ccc(NC(=O)Cc3ccc(F)cc3)cc21 169309928 JWRLEFGWNKDQRU-PMERELPUSA-N 422.481 4.154 0 1 HIAF O=C(Nc1ccccc1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 203788263 YQNFLDBZFLCLLR-JTHBVZDNSA-N 402.498 4.148 0 1 HIAF O=c1c2cn[nH]c2c2cc(Br)c(-c3ccncc3)cc2n1CC(F)(F)F 205519316 SGGUIOHJVFUUGG-UHFFFAOYSA-N 423.192 4.265 0 1 HIAF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCC[C@H](C)C2)cn1 217087351 SRYFAAODYUIKSL-UGSOOPFHSA-N 407.345 4.295 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 299879005 KCCBCRWZISEWHW-ZZRIFKAOSA-N 416.521 4.455 0 1 HIAF COc1cc(Br)c([C@H](N)c2nc3ccc(Cl)c(C)c3[nH]2)cc1OC 586974047 BAOKOQVLABFWHM-HNNXBMFYSA-N 410.699 4.353 0 1 HIAF Ic1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587018346 ZZINQOPQZGQDPK-UHFFFAOYSA-N 407.236 4.475 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cnc(Cl)[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 587024989 DIXXQCLSZLUQNO-QEJZJMRPSA-N 401.923 4.094 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2c(Cl)ccnc2[nH]1)c1cc(F)ccc1F 587140206 ITDDVSHDMGMCND-UHFFFAOYSA-N 420.828 4.357 0 1 HIAF CC[C@@H](c1nc2c(C)cnc(Cl)c2[nH]1)n1cc(I)c(C)n1 587186502 YUHXEIIQRUFRKY-JTQLQIEISA-N 415.666 4.029 0 1 HIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587258331 HJHDHOPITAFJPP-SFHVURJKSA-N 413.481 4.020 0 1 HIAF COc1cc(N)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587330324 BJFIAVJMERDEMV-VWNXMTODSA-N 423.440 4.405 0 1 HIAF O=C1C[C@@H](c2ccc(OCC(=O)N3CCCC3)cc2)Oc2c1ccc1c2CCCC1 587514235 MQDGFTPTBROSLX-QHCPKHFHSA-N 405.494 4.273 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573425 WMCQVGHLJBYKQF-ZJSXRUAMSA-N 422.408 4.342 0 1 HIAF CCOC(=O)Cc1c(-c2ccccc2Br)[nH]c2c(C(=O)O)cccc12 587636918 PLKXAPGOHKCJGU-UHFFFAOYSA-N 402.244 4.401 0 1 HIAF O=C(c1ccc(OCc2cccc(F)c2)cc1)n1ncc2ccc(Cl)cc2c1=O 587651431 JHGJHSQTYPLQML-UHFFFAOYSA-N 408.816 4.457 0 1 HIAF CCOc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)cc1 587652077 KSJDGKZYHRJJAR-UHFFFAOYSA-N 424.840 4.309 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)OC(C)(C)C)C2)N1 587764905 AIICEYGHMWPCEN-HXPMCKFVSA-N 413.331 4.349 0 1 HIAF CCOC(=O)[C@@H]1Cc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587799209 RCYLKMSJVMPZSH-PKQAIAMASA-N 418.306 4.101 0 1 HIAF CCc1ccc2c(c1)[C@@]1(CC(=O)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 587839387 SBCVLBXGSNRESJ-BIBXISHDSA-N 404.279 4.238 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn(C)c2ccccc12 587868890 WONTZMSRWMMKBX-UHFFFAOYSA-N 400.360 4.153 0 1 HIAF O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC[C@H]1c1cccnc1 621477602 DIJCXNDLZXQIOE-IBGZPJMESA-N 418.463 4.466 0 1 HIAF CN(C)[C@@H]1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 653663079 ZEXIDUUQTQWLDA-HXUWFJFHSA-N 421.614 4.211 0 1 HIAF CCOC(=O)CCC[C@@]1(c2ccccc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962731950 VCDQYOHYRCIZEM-KNQAVFIVSA-N 419.443 4.309 0 1 HIAF O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccoc2)cn1 1772578691 FSTWBIHIDHYFEW-UHFFFAOYSA-N 422.448 4.301 0 1 HIAF N[C@H]1Cc2c(ccc3cc(N4CCOCC4)ccc23)O[C@@H]1c1cc(F)c(F)cc1F 1772620427 KEEYJPHDGQFLMG-JTHBVZDNSA-N 414.427 4.097 0 1 HIAF O=C1OC[C@H](Cc2ccccc2F)[C@H]1Cc1ccc(I)cc1 1911581036 AMPTWNAIIGGCNB-GOEBONIOSA-N 410.226 4.005 0 1 HIAF O=C(Nc1ccnn1C1CCN(Cc2ccc(O)c(Cl)c2)CC1)C1CCCC1 12195926 CHQMGFOTMKJHQX-UHFFFAOYSA-N 402.926 4.208 0 3 HIAF CC(C)(C)[C@H]1C=C(C(=O)NCc2ccccc2)O[C@@H](OCc2ccc(CO)cc2)C1 13635038 DYTVJFSMBUTIBL-JTHBVZDNSA-N 409.526 4.305 0 3 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4080545 LHWZKQRFLAPOMD-IRLDBZIGSA-N 423.875 4.470 0 1 HIAF COc1ccc(C(=O)N(C)c2ccccc2N(C)C(=O)c2ccc(OC)cc2)cc1 13557920 VGKJXKXQWFLSSP-UHFFFAOYSA-N 404.466 4.257 0 1 HIAF CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CCNC(=O)c1ccsc1 27298377 AVUSYTRJVKZPGP-QGZVFWFLSA-N 407.514 4.363 0 1 HIAF O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2cccc(Cl)c2CC1 27715728 NZQYJIRMBAYNQL-UHFFFAOYSA-N 402.966 4.230 0 1 HIAF CCCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)CC)c21 43071655 PZHNERORVRBLLF-UHFFFAOYSA-N 409.596 4.212 0 1 HIAF O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4[nH]3)c(F)c2)C1 66097489 YJZXJVBEJORLSV-UHFFFAOYSA-N 415.468 4.476 0 1 HIAF NC(=O)[C@@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)C1 82162941 DXTUTUYJIDDWGO-MRXNPFEDSA-N 415.522 4.122 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3(C)C)nn2-c2ccccc2)c1 169707001 FOCBQZLMDAQIHJ-FQEVSTJZSA-N 416.525 4.203 0 1 HIAF Cc1cc(C(=O)Nc2cccc(C(C)C)c2)cc(N2CCc3nc(N)ncc3C2)c1 169710103 HISHBLLIUXOENA-UHFFFAOYSA-N 401.514 4.306 0 1 HIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)c(C)c(C)c2[nH]1)C(C)C 586933214 NNCRQUBMAUQVQL-OAHLLOKOSA-N 416.385 4.359 0 1 HIAF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4cnncc4[nH]3)cc2)c(C)c1C 586951208 QSBLKOLCMYSGMP-UHFFFAOYSA-N 421.526 4.363 0 1 HIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cncc(Br)c3[nH]2)c1 587201442 ZRGRSZBBANHYRF-UHFFFAOYSA-N 416.279 4.237 0 1 HIAF CC1=C(c2ccc3nc(-c4cccc(Nc5ccc(O)cc5)c4)[nH]c3c2)NNC(=O)C1 587242757 QZVZMDNMYBZPJC-UHFFFAOYSA-N 411.465 4.435 0 1 HIAF C[C@@]1(c2ccc3c(c2)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349954 QVXIMVMWFBQLJE-VWNXMTODSA-N 419.408 4.137 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(Cc2ccccc2F)c2ccccc21 587387133 ZRIJULYQAUZZHY-DEOSSOPVSA-N 402.425 4.124 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ncc(-c4cccc(Br)c4)[nH]1)[C@@H](C2)C3=O 587418243 OCJBZUJGUHGGMD-IFXJQAMLSA-N 411.255 4.337 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(C(F)(F)F)nc1)CC2=O 587464077 HYZAJMRNEGVTQG-FQEVSTJZSA-N 423.387 4.182 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)NC(C)(C)C)cc1)CC2=O 587482308 CSEUIHKFUCNWCO-HXUWFJFHSA-N 417.527 4.128 0 1 HIAF CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517809 VRNKDTZTSHVAGI-BKMJKUGQSA-N 419.521 4.359 0 1 HIAF O=C1CC(c2ccc(O)cc2O)(c2ccc(O)cc2O)Oc2c1ccc1c2CCCC1 587534086 VPSHZHNJMWAWCN-UHFFFAOYSA-N 418.445 4.297 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)C(=O)O 587542982 AZIXFOSSOLNRCU-XMSQKQJNSA-N 410.809 4.073 0 1 HIAF CCn1cc([C@]2(C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587555936 MSACZTDDUGWIIX-UTKZUKDTSA-N 400.381 4.039 0 1 HIAF C[C@]1(CC(=O)OCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593718 MUIYJEMSSOVPCE-XUZZJYLKSA-N 404.418 4.246 0 1 HIAF CCOC(=O)C(Cl)(Cl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587682597 MTEBKNZJZNVSBC-CLAHSXSESA-N 413.114 4.075 0 1 HIAF COc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587758004 WNJUMHDHJRMYSS-MPBGBICISA-N 416.294 4.406 0 1 HIAF CCCCc1cn([C@H](CN2CCNCC2)c2ccc3sc4ccccc4c3c2)nn1 653888035 NOPVMXNXNPUJJC-JOCHJYFZSA-N 419.598 4.483 0 1 HIAF CCN(CC)c1cc(Br)ccc1[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962895975 JZHSCOJCWOTLIF-LPHOPBHVSA-N 421.310 4.123 0 1 HIAF Cc1c(OC[C@]2(C)NCCc3ccc(O)cc32)ccc2c3c(c(=O)oc12)CCCC3 963354382 XDLSEOWROASMAX-VWLOTQADSA-N 405.494 4.126 0 1 HIAF CCOC(=O)c1c(C)oc2cc(OCC3CCCCC3)c(OS(=O)(=O)O)cc12 1857538638 RBDZVTVKNWSTDL-UHFFFAOYSA-N 412.460 4.059 0 1 HIAF O=C1[C@@H](c2ccccc2)CCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857766904 NVTOSHDAHDXEDR-WOJBJXKFSA-N 420.459 4.450 0 1 HIAF Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c(-c2ccccc2)n1C 26375513 JQFDFOAWSNQTNN-UHFFFAOYSA-N 401.507 4.270 0 1 HIAF COCC(=O)N(c1ccccc1Cl)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C 26727068 IDBGRMWFLVNQQD-GHTZIAJQSA-N 400.950 4.273 0 1 HIAF CC(C)c1nc2c(Nc3ccc(Cl)cc3)nc(N3CCC(C)(O)CC3)nc2[nH]1 26734019 RWXHWYYYKDPQKT-UHFFFAOYSA-N 400.914 4.225 0 1 HIAF CN1C(=O)[C@H](Cc2cccc(O)c2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 27073850 XMHKIRGJSAVILC-FQEVSTJZSA-N 406.869 4.176 0 1 HIAF CCC(=O)N(c1ccccc1)C1(COC)CCN([C@@H](C)[C@@H](O)c2cccs2)CC1 27980041 OZSJJACQMYZOPH-PGRDOPGGSA-N 416.587 4.094 0 1 HIAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)cccc1OC1CCNCC1 28825950 LGGAFCMETNCFKJ-UHFFFAOYSA-N 402.966 4.417 0 1 HIAF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)c(Cl)c1 45314582 MXCSBIZVKBOAQU-XIKOKIGWSA-N 415.839 4.400 0 1 HIAF CCOC(=O)c1cc(-c2ccc(NC(=O)c3ccccc3Br)cc2)[nH]n1 72123064 NXSINMSRWAWVRP-UHFFFAOYSA-N 414.259 4.268 0 1 HIAF O=C(NCCC1=CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82072631 NXNKOTCOAHBHOW-FQEVSTJZSA-N 409.555 4.421 0 1 HIAF O=C([C@@H]1CNC[C@H]1c1ccccc1Br)N1CCC(c2ccccc2)CC1 82158073 LNBSMZJNSGKBLJ-VQTJNVASSA-N 413.359 4.158 0 1 HIAF Cc1ccccc1Cn1ccc2c(OC3CCN(Cc4cscn4)CC3)ncnc21 84602573 GQJOVRAJLZZUTH-UHFFFAOYSA-N 419.554 4.288 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 100745121 BUPWFKLTAPZHIE-ROUUACIJSA-N 413.949 4.246 0 1 HIAF Nc1c(C(=O)N2CCC(=O)CC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 103241945 POMUUSGSNJEUPJ-UHFFFAOYSA-N 419.428 4.369 0 1 HIAF CC(C)[C@@H](CCc1ccc2c(c1)OCCCO2)NC(=O)[C@@H](C)CNCc1ccccc1 114097554 YDYGYVQRRINDBI-NZQKXSOJSA-N 424.585 4.347 0 1 HIAF Nc1cncc(-c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)c1 144652916 JDPPOBHFVBDHQW-UHFFFAOYSA-N 415.407 4.457 0 1 HIAF COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@H](C1)N2CCCCCCN 145429445 LKFLCBUCBHTSTF-RTBURBONSA-N 403.567 4.457 0 1 HIAF O=C(CC1CC1)N[C@@H]1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 165884190 YJRHBIXYCUFVQF-JOCHJYFZSA-N 416.525 4.482 0 1 HIAF Cc1ccccc1[C@@H](C[C@@H](N=O)c1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1 169730192 ZLQBDFFAZUFHQT-FCHUYYIVSA-N 424.522 4.127 0 1 HIAF Cn1cc(O)c(=O)cc1CNCCCCCCNc1ccnc2cc(Cl)ccc12 299835323 DICVZLAXZXAIHB-UHFFFAOYSA-N 414.937 4.055 0 1 HIAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)[C@H]3[C@@H]3O[C@@]132 299878461 JCRZLXZHRIAGFX-HJQYBFBASA-N 401.591 4.412 0 1 HIAF CCOC(=O)c1ccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2c1 586918468 LTRYUQOBOGMYKI-UHFFFAOYSA-N 420.465 4.257 0 1 HIAF O=C(NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1cc2c(s1)CCC2 587035675 YAYRLSXKMMPFFL-UHFFFAOYSA-N 416.375 4.092 0 1 HIAF COc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)nn1-c1ccccc1F 587155852 IKOWCINYLDMYNH-UHFFFAOYSA-N 405.202 4.465 0 1 HIAF C[C@@]1(Cn2nnc3ccccc32)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342735 PKSWCSDYOURINY-GGAORHGYSA-N 403.413 4.094 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349983 JJXNMZYSGIXADE-ZCYQVOJMSA-N 420.436 4.435 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C(Br)=COc4ccc(F)cc41)[C@@H](C2)C3=O 587430149 YTJVEWATPFJGSX-DJJJIMSYSA-N 403.203 4.106 0 1 HIAF COc1cc2c3c(c1)O[C@@H](CCc1ccccc1CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587431278 FHGXHFYPBUJZEZ-UXHICEINSA-N 423.509 4.469 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cncc(I)c1)CC2=O 587471109 ZGPGMXRVADAMSY-MRXNPFEDSA-N 409.223 4.051 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(SCC(=O)O)c(OC)c1)CC2=O 587493102 QRDYDWVLCCSNQR-QFIPXVFZSA-N 416.495 4.411 0 1 HIAF CCCNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531162 GEUZKFIASAQYDL-HSZRJFAPSA-N 413.539 4.134 0 1 HIAF C[C@H](Oc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C(=O)O 587592353 GSCUFGPJFLZVGM-FDORUFNTSA-N 420.417 4.121 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2ccnc2)(c2ccc(F)cc2)N1 587732764 JPGATIGSDYNXBK-XCLFUZPHSA-N 418.285 4.402 0 1 HIAF CCO[C@H](C)c1ccc([C@@]2(CN)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587750297 SNLONQLVWWXIIF-PXIJXODZSA-N 421.354 4.422 0 1 HIAF CCOC(=O)c1ccc([C@]2(C3CCCC3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963037455 VONUWQDXDZDTCW-QYBDOPJKSA-N 418.537 4.350 0 1 HIAF CN1CCc2c(Br)cccc2[C@]1(CC(=O)c1ccco1)c1ccccn1 963289916 RSRIGKQDBYVKSL-OAQYLSRUSA-N 411.299 4.442 0 1 HIAF OCc1ccc(CSc2nc(O)nc(SCc3cccc(Cl)c3)n2)cc1 1857535209 PPLFJMLDEXCMBE-UHFFFAOYSA-N 405.932 4.308 0 1 HIAF c1ccc(C(c2ccccc2)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 1857592022 VHPWWNXVQXKNER-UHFFFAOYSA-N 400.522 4.365 0 1 HIAF CS(=O)(=O)c1ccc(-c2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)cc1 1857593627 VBFCCHFBZVCKCQ-UHFFFAOYSA-N 417.412 4.486 0 1 HIAF CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2cccc(Cl)c2)O3)cc1 61929723 KQDLBKZWSKGFIF-DEOSSOPVSA-N 421.928 4.478 0 3 HIAF CCCc1cc(=O)oc2c(C(=O)[C@@H](C)C(C)(C)O)c(O)c3c(c12)OC(C)(C)C=C3 25970083 UOYWKDJZABGIBH-GFCCVEGCSA-N 400.471 4.225 0 1 HIAF C[C@]1(C2CCCC2)Cc2cc(OCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O 28128957 UOJKSVVDYDTODM-LJQANCHMSA-N 409.317 4.453 0 1 HIAF Cc1cc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc(C)c1O 40845789 HHFKUQZPNITQLU-UHFFFAOYSA-N 415.081 4.492 0 1 HIAF in-vivo CCCNc1nc(NCc2ccc(C3CCCCC3)cc2)nc2c1ncn2CC(=O)O 66080042 ROKYJXWOEIUZJK-UHFFFAOYSA-N 422.533 4.393 0 1 HIAF COc1cc2nc(N3CCSCC3)nc(NCC3CCCCC3)c2cc1OC 82119581 NJEPGURNDUZSTF-UHFFFAOYSA-N 402.564 4.192 0 1 HIAF Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccc2Cl)c2c(N)ncnc21 95556640 OTGQMOPRPFKJKL-UHFFFAOYSA-N 417.900 4.003 0 1 HIAF Cc1cccc(C)c1N1CCN(Cc2cccc(C(F)(F)F)c2Cl)C(=O)C1=O 95565444 JCRREJDXHRTLTK-UHFFFAOYSA-N 410.823 4.351 0 1 HIAF Cn1c2c(c3ccccc31)Cc1c(CO)c(CO)c(-c3ccc(F)c(Cl)c3)n1C2 95586281 KSDWZOGWVIVNMX-UHFFFAOYSA-N 410.876 4.376 0 1 HIAF COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 95596335 HIASEHRDTBGCHW-QHCPKHFHSA-N 419.521 4.023 0 1 HIAF Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccncc3)cc1)C2=O 96286136 AVJLMCNDLBGPGV-UHFFFAOYSA-N 412.537 4.471 0 1 HIAF N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c([C@H]3CC[C@@H](O)CC3)n2)C1 100637751 HKGQXARMABOEGN-ZAWLATJESA-N 411.521 4.045 0 1 HIAF CC1(C)C[C@H](c2c[nH]c3c(C(N)=O)cc(-c4ccc(F)cc4)cc23)CCS1(=O)=O 114241864 YGYGASJNJTYNOL-CQSZACIVSA-N 414.502 4.144 0 1 HIAF N#Cc1cnc(Nc2cccc(-c3ccccc3)c2)nc1N1CCC2(CCNC2)CC1 145318210 OMCYWWSXZKODSC-UHFFFAOYSA-N 410.525 4.339 0 1 HIAF CO/C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)N[C@H]1CN2CCC1CC2 220847546 DMTRKCFYVGKARW-PHWHMHEWSA-N 420.340 4.229 0 1 HIAF CNC(=O)N1C[C@H]2C=C(c3cc4c(-c5cc(F)ccc5OC)c(F)cnc4[nH]3)C[C@@H]2C1 226059417 HHYFMYBAZZMYSH-ZIAGYGMSSA-N 424.451 4.191 0 1 HIAF Brc1cc2c(cc1/C=C\c1nc3ccnc(Br)c3[nH]1)OCO2 586999273 XPNBLUFFLQYVTQ-UPHRSURJSA-N 423.064 4.382 0 1 HIAF CC(C)Oc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1Br 587128236 JQFCMKSEDSYJCK-UHFFFAOYSA-N 423.221 4.155 0 1 HIAF Cc1cc2[nH]c([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc2c(C)n1 587141501 RIEMKAOOHAYDBI-QGZVFWFLSA-N 424.929 4.433 0 1 HIAF Cc1cc(Br)cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149164 MFGXBINHXFQUFU-GFCCVEGCSA-N 420.257 4.428 0 1 HIAF Cc1nc(N(C)C)ncc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587194735 MLBXPCWBONFWFA-UHFFFAOYSA-N 416.201 4.055 0 1 HIAF O=C1C[C@@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3Cc2ccccc2)Oc2c1ccc1c2CCCC1 587518264 DMTXLBUHTIKXKI-DCJDNPIWSA-N 403.522 4.067 0 1 HIAF Cn1c(O)cc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587575240 DZAMJCZMYYWQJC-URXFXBBRSA-N 401.418 4.467 0 1 HIAF Cc1noc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587585303 DAKAVFNJSPKCHQ-KNQAVFIVSA-N 400.390 4.454 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805488 HECCOGXWPYUZIM-RBZFPXEDSA-N 406.295 4.124 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(N)sc32)N1 587858455 QTKZMYVFPRWWTO-YYSFKGJASA-N 410.356 4.377 0 1 HIAF Cc1cc2c([nH]1)CC(C)(C)C[C@@]21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962622098 AUOHGSVICUXNDD-UZLBHIALSA-N 408.420 4.037 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC[C@@H](CNC(=O)OC(C)(C)C)C1)N(C)[C@H](C)C2 962644541 YOGOSTZBWIAVSZ-CKNGIIGNSA-N 404.551 4.100 0 1 HIAF CCN1CCc2c(sc(NC(=O)Nc3cccc(Cl)c3Cl)c2C(N)=O)C1 1772613165 OGGPSVLPGBGMRU-UHFFFAOYSA-N 413.330 4.176 0 1 HIAF COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCc3c([nH]c4ccccc34)C2)cc1 1857774213 ZYRVSTALVPMOJZ-JOCHJYFZSA-N 416.529 4.066 0 1 HIAF CCN(CC)Cc1ccccc1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 1639287 PGJBMCFWHOCWEO-UHFFFAOYSA-N 414.509 4.397 0 1 HIAF COc1ccc(Cc2nc3ccc(C(=O)N(C)Cc4ccncc4C)cc3o2)cc1 12318123 NFSMVZOZMMNIFM-UHFFFAOYSA-N 401.466 4.403 0 1 HIAF O=S(=O)(c1cccc(C(F)(F)F)c1)n1cc(C2=CCCNC2)c2ccccc21 28526768 MDMFSOSVWCLIMY-UHFFFAOYSA-N 406.429 4.274 0 1 HIAF Brc1cc2c(cc1Br)O[C@H](COc1ccccc1)CO2 28714403 PXZULONSFVBWOW-LLVKDONJSA-N 400.066 4.430 0 1 HIAF CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]12 29545335 IFIFFBWHLKGTMO-QFBJZKJKSA-N 406.563 4.275 0 1 HIAF COc1ccc2c(=O)c(-c3ccc(OC[C@H](O)CNC4CCCCC4)cc3)coc2c1 49037022 WDYZBXOFGYVEHB-LJQANCHMSA-N 423.509 4.131 0 1 HIAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc3ccccc23)cc1 66100456 BJYXBAAMCLRZEJ-UHFFFAOYSA-N 417.412 4.359 0 1 HIAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NC[C@H](C)c3ccccc3)c2cc1OC 82127360 YNOITXDVNRSCDZ-WMZOPIPTSA-N 422.529 4.454 0 1 HIAF CC(C)c1nc2c(NCCc3ccccc3F)ncnc2n1CCc1ccccn1 82180956 MWHVSUHMENLUDQ-UHFFFAOYSA-N 404.493 4.381 0 1 HIAF COc1ccc(C[C@@H](OC(=O)/C=C/c2ccc3ccccc3c2)C(=O)O)cc1OC 95587059 WDYVOVWWKMVZQY-RUCTVCJSSA-N 406.434 4.109 0 1 HIAF CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 103629427 SFTNYDUJZVDQHT-LFTLAFEGSA-N 419.437 4.121 0 1 HIAF C1=C(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CCNC1 117681828 BGYGYQGUFXBQFT-UHFFFAOYSA-N 412.501 4.005 0 1 HIAF CC(C)Oc1cc(NC(=O)c2ccc(Cl)cn2)cc([C@@]2(C)CCSC(N)=N2)c1 144501006 WAKBRVWIQUWQRJ-HXUWFJFHSA-N 418.950 4.441 0 1 HIAF CC(C)(C)n1cc(-c2cc(C(N)=O)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144916559 ISCSNHMKBGYUTD-OAQYLSRUSA-N 415.415 4.183 0 1 HIAF COC(=O)CC/C=C/CC[C@H]1C(=O)C[C@H](O)[C@@H]1/C=C/C[C@@](C)(O)/C=C/C1=CCCC1 169692596 ZZVPHCPLTZTOBC-JVRJCJONSA-N 416.558 4.206 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1ccoc1C 203339109 OPIUDADBODIHCW-KRWDZBQOSA-N 414.845 4.258 0 1 HIAF CO[C@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)[C@H](OC)O1 238741738 YCGYYZXBHVNOIX-JXFUSEGYSA-N 424.578 4.444 0 1 HIAF S=C1N[C@@H]2/C(=C/c3ccc(Cl)cc3)CNC[C@@H]2[C@H](c2ccc(Cl)cc2)N1 261156370 PZPVJFQTDWDACU-YAKTZSFWSA-N 404.366 4.184 0 1 HIAF Cc1cc(C)cc([C@@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)c1 299828114 GWYITMXKBHRSJF-OAQYLSRUSA-N 409.530 4.102 0 1 HIAF Cn1c2c(c3ccccc31)CC(=O)N(c1ccc(Cl)cc1)[C@H]2C(=O)NC(C)(C)C 299832253 TVDYAIUZKSYOFY-OAQYLSRUSA-N 409.917 4.377 0 1 HIAF COc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1Cl 586952725 GSEUBALWJZXTQM-UHFFFAOYSA-N 420.903 4.149 0 1 HIAF O=C(O)c1cc(F)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001803 QRNCNXYXDODYOE-OWOJBTEDSA-N 419.206 4.104 0 1 HIAF Fc1cc(F)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1Br 587136327 NQBHEFHIGIAPEW-UHFFFAOYSA-N 408.246 4.103 0 1 HIAF COc1cccc(-c2c(CCNS(=O)(=O)C3CC3)cnc3c2oc2ccccc23)c1 587364282 BEDNBVMNPYVDAY-UHFFFAOYSA-N 422.506 4.281 0 1 HIAF Cc1ccc([C@@H](C(=O)O)c2cc3c(O)nc(O)nc3nc2-c2ccc(Cl)cc2)cc1 587368378 IPQIUBCJASMUAV-QGZVFWFLSA-N 421.840 4.281 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(Br)cc1)[C@@H](C2)C3=O 587417957 NZFMWUZNIPWWJB-VBKZILBWSA-N 411.255 4.337 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc(O[C@H](C(=O)O)c4ccccc4)c1)[C@@H](C2)C3=O 587439176 KFPGJVABZSFRGF-IGKWTDBASA-N 416.429 4.389 0 1 HIAF CC(C)(C)NS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534185 XODXOBSANUEIJU-NRFANRHFSA-N 413.539 4.349 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ncc[nH]1 587574045 YIFCWDHZERPDMV-AUSIDOKSSA-N 402.381 4.160 0 1 HIAF CC(C)n1ncc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc21 587583702 WUYMESITQGTLRN-DENIHFKCSA-N 401.422 4.421 0 1 HIAF CCOc1ccc(-c2nn(-c3cccc(OC)n3)c(=O)c3ccccc23)cc1OCC 587669900 RKJHVEZRNKSOCM-UHFFFAOYSA-N 417.465 4.254 0 1 HIAF CCn1cc([C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587713481 DCKSPAVWODNHOA-VVVCHXIZSA-N 402.258 4.156 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(Cc3ccccc3)c2)N1 587756707 FCMAZRMFXYMCID-ZUOKHONESA-N 400.295 4.457 0 1 HIAF CC[C@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587757018 UBCAUECBIAKYIV-ADLMAVQZSA-N 401.320 4.252 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(C2CCOCC2)N1 587770671 BARUAIHHSZJDBQ-RNODOKPDSA-N 405.311 4.188 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSCC(=O)O)(c2ccccc2)N1 587847159 RYSXZHZQGFMISX-BUXKBTBVSA-N 424.335 4.184 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(C[C@H](C)CCC(=O)O)[nH]c4c3)o2)cc1 587963393 VBYXLBMAOJPFNK-CYBMUJFWSA-N 406.442 4.332 0 1 HIAF COC(=O)c1ccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)s1 962963631 ZVJQEECAJYOCBN-KRWDZBQOSA-N 411.445 4.294 0 1 HIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(-c3c(F)cccc3F)o2)N1 963227660 QPGVMWMATJCGNV-AVRDEDQJSA-N 406.388 4.461 0 1 HIAF O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC[C@H]2CCCCO2)cc1F 1772582556 TZCYDPFBDCOKRC-LLVKDONJSA-N 419.931 4.108 0 1 HIAF O=C([C@@H]1CCCN(c2ccc3nc(Cc4ccc(Cl)cc4)[nH]c3n2)C1)N1CCCC1 1772657837 LJAOJLPLYUEWBW-QGZVFWFLSA-N 423.948 4.041 0 1 HIAF COc1cccc(Cc2cc(C)nn([C@H](C)C(=O)Nc3ccccc3Cl)c2=O)c1 1857548350 JIVRGQWBJMJMTP-OAHLLOKOSA-N 411.889 4.004 0 1 HIAF COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCCCN1C[C@H](C)O[C@H](C)C1 1857572795 GUHIQNZDIVLZBP-CKCICUHISA-N 422.525 4.066 0 1 HIAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)[C@H]3CCC(=O)C3)c2)[nH]1 1857612333 QISSFQLPYXZWRC-AWEZNQCLSA-N 410.474 4.307 0 1 HIAF Cn1cc(-c2cnc(N)c(Oc3ccc(C(=O)Nc4ccccc4Cl)cc3)n2)cn1 1911585202 RGSKRIMCTMBWCH-UHFFFAOYSA-N 420.860 4.157 0 1 HIAF CC=CC=CC=CC(=O)O[C@@H]1C=C2CO[C@H](OC)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356759091 IQZCRLBNSYMYLI-FOJUDVCRSA-N 402.531 4.093 0 1 HIAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCc1ccccc1N 4080118 AQYZSFQCRXCLCL-IFMALSPDSA-N 421.522 4.137 0 1 HIAF CCCCNC(=O)C[C@]1(C)[C@@H](OC(C)=O)CC[C@H]1[C@@H]1CCc2cc(OC)ccc2C1 28364907 GCRKAIRLYFHXKY-GIQJJWITSA-N 415.574 4.455 0 1 HIAF COc1ccc2nc([S@](=O)Cc3nc4ccc(Cl)cc4n4cccc34)[nH]c2c1 28639057 VKTASSVDAWDQFV-NDEPHWFRSA-N 410.886 4.334 0 1 HIAF COc1cc2c(cc1OC)-c1cc(N(C)c3c(C)cc(C)cc3C)nc(=O)n1CC2 29246188 KLRZTPNHBOIVSB-UHFFFAOYSA-N 405.498 4.177 0 1 HIAF O[C@H](CNCc1cccc(Br)c1)Cn1c2c(c3ccccc31)CCCC2 73349671 HMLQMNUAGJUKIV-GOSISDBHSA-N 413.359 4.433 0 1 HIAF Fc1ccccc1CCNc1ncnc2c1nc(-c1ccccc1)n2C[C@@H]1CCCO1 82221778 BIXIQYYGCSOJFD-IBGZPJMESA-N 417.488 4.466 0 1 HIAF C[C@H](c1ccc(F)cc1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 95588082 RSLUSVPJPOLZSM-CQSZACIVSA-N 406.436 4.499 0 1 HIAF CN(C)Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1 95921410 WIUYFJQWJMBTCE-MOPGFXCFSA-N 417.538 4.490 0 1 HIAF in-vitro O=C(O)C1CCC(CN(Cc2ccc(F)cc2)S(=O)(=O)Cc2ccccc2)CC1 115731319 BJQSFVUCCKFJTR-UHFFFAOYSA-N 419.518 4.049 0 1 HIAF Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 142195022 KUEIHNZYDWMRGR-UHFFFAOYSA-N 411.509 4.319 0 1 HIAF CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/C[C@]2(O)CCN[C@@H](C)C2)cc1 144129368 LXMWEIWZNWWODN-JNCWXOIASA-N 418.585 4.406 0 1 HIAF O[C@@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccc4Cl)nn23)C1 144801019 TXIKPFPISXNHBO-MRXNPFEDSA-N 420.904 4.149 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@H]3CCCC[C@@H]3O)CN(C)[C@@H]1C2 169351147 GSCVQDHIWDOSEW-VXOHKJIOSA-N 410.558 4.029 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@H](C)N2C[C@H](c3ccccc3)C[C@H]2C1 169369113 PKZKDNACFVSZIJ-HPBDAGMYSA-N 413.949 4.070 0 1 HIAF Cc1nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2N2CCC2)c(C)[nH]1 219070804 XUFYKEMZADKEDT-UHFFFAOYSA-N 411.509 4.015 0 1 HIAF CN(CCCN1C(=O)CSc2ccc(Br)cc21)Cc1ccccc1 299859877 GBDBLDONXNRWRZ-UHFFFAOYSA-N 405.361 4.410 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2ccccc2F)cc1 299863690 LKAKGBUKZCZEMT-NFBKMPQASA-N 421.497 4.001 0 1 HIAF COc1cc(/C=C/c2nc3nc(Br)c[nH]c-3n2)ccc1Br 586977858 UNWUZQYPMKDOOG-HWKANZROSA-N 410.069 4.009 0 1 HIAF CCN1C(=O)C[C@@H](c2nc3cc(Br)ncc3[nH]2)[C@@H]1c1ccccc1Cl 587060590 ARSYHYXWVMSCEI-DIFFPNOSSA-N 419.710 4.451 0 1 HIAF COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cn1 587072435 WNVUETRZJNCORR-AWEZNQCLSA-N 402.882 4.428 0 1 HIAF Oc1nc2cc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3cc2[nH]1 587116402 FSCUXKQSWFEKHA-UHFFFAOYSA-N 410.787 4.134 0 1 HIAF COc1ccc(C(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1F 587144912 QZTOMVZPHFXCBU-UHFFFAOYSA-N 404.397 4.380 0 1 HIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(S)nc(S)nc3[nH]2)c1 587198395 IJEGETOGWFDSGI-UHFFFAOYSA-N 403.533 4.277 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccnc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239165 ISOYEOYVERUFKT-GIQGCJHYSA-N 406.914 4.166 0 1 HIAF COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1F 587239685 NGOVCPIVLZFIBD-KRYGIPSASA-N 419.497 4.266 0 1 HIAF Nc1ccc(C(=O)CCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 587251186 BCKZRMPYZORFLB-UHFFFAOYSA-N 423.108 4.486 0 1 HIAF COc1ccc(Cn2nc(C)c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587431395 KIPRLSNVBDJBPF-DVECYGJZSA-N 404.466 4.054 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc(O)c(Cl)cc12 587552542 SFZASHRMSWPAHR-DENIHFKCSA-N 410.809 4.391 0 1 HIAF CCn1ncc([C@]2(C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587555436 LHCKDKUGJCDDJQ-UTKZUKDTSA-N 400.381 4.039 0 1 HIAF C[C@]1(CC(=O)Nc2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566781 BBRKJXNQYSOTCU-NZQKXSOJSA-N 407.397 4.280 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncnc(Cl)c3n2C)N1 587708516 YLEYUJOCVWHULG-GLEZIHRCSA-N 409.690 4.147 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587726410 XFZHCNNEPBSPPJ-ODXCJYRJSA-N 424.285 4.377 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOC3=O)cc2)N1 587769114 WYCZNNQSJJEWMK-ODXCJYRJSA-N 419.294 4.343 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccncc3)CC2)N1 587771685 WMYWYWVIROFLCV-AWEZNQCLSA-N 404.327 4.009 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O[C@H](C)C(=O)O)cc2)N1 587792140 LKJRAFLAHZUIFO-PJYBLOJUSA-N 408.267 4.064 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccc4c3n(c2=O)CC4)N1 587794485 VGTGYPWNUYIGOZ-WLRWDXFRSA-N 413.290 4.083 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C(c2nccs2)(c2nccs2)N1 587853144 KZHQGXIKJBSTKT-VIFPVBQESA-N 410.337 4.327 0 1 HIAF CCc1ccc([C@@]2(c3cnccc3C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963237370 XTZOLHIZYPSDFU-BDYUSTAISA-N 423.516 4.391 0 1 HIAF CC(=O)O[C@@H]1C=C(C)[C@H](O)CC=C(C)C[C@@H](OC(=O)c2ccccc2)[C@@H]1C(C)C 2356407024 NJSSIGJNKWSAJR-ODAXIHTASA-N 400.515 4.463 0 1 HIAF COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 13473093 ONMIMCVGCGOVHM-UHFFFAOYSA-N 407.510 4.342 0 1 HIAF O=C(O)[C@@H]1CCCN(CCOCC[C@@H](c2ccc(F)cc2)c2cccc(F)c2)C1 27429850 GYOBVULPMYVHAJ-KNQAVFIVSA-N 403.469 4.300 0 1 HIAF CSc1ccc(C2=C(c3ccc(OC[C@@H]4CO4)cc3)C(=O)N3CCC[C@@H]3C2)cc1 29406375 RKNQYZUPERHOKK-UYAOXDASSA-N 407.535 4.492 0 1 HIAF O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1C1CCC1 72125168 FFJBSTIXVJOIBB-UHFFFAOYSA-N 418.541 4.051 0 1 HIAF Cc1ccccc1CNc1ncnc2c1nc(CC(C)C)n2CC[C@@H]1CCCN1C 82180349 GNCCPTJNTHXDCV-FQEVSTJZSA-N 406.578 4.430 0 1 HIAF CCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCOC2 84602114 SAWOOBBZRYRBER-UHFFFAOYSA-N 402.560 4.116 0 1 HIAF COc1cc2c(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)cnnc2cc1F 95571988 BKTSWMFTYBUNEM-UHFFFAOYSA-N 410.493 4.135 0 1 HIAF Cc1cn(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c2ccccc12 96175180 LZGIKPSDNVRPPX-BEFAXECRSA-N 405.523 4.028 0 1 HIAF Cc1ccnc2c(NC(=O)c3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3)cccc12 100632661 BLPUCTSDPCUHQQ-FHQLIMNDSA-N 423.472 4.107 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)c1C 101417720 QOLHUCVLXVPCQL-BQFCYCMXSA-N 412.490 4.057 0 1 HIAF CO[C@H]1CCCN(C(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 143100051 VBMBLEBVOTXJTF-IBGZPJMESA-N 404.470 4.264 0 1 HIAF COc1ccccc1CN1CCN([C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 169326387 ZFZCYZQMZHCUPD-IZZNHLLZSA-N 402.538 4.288 0 1 HIAF C[C@H](C(=O)Nc1ccc2nc[nH]c2c1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O 220669743 FYWRBGOWASHFQJ-CYBMUJFWSA-N 417.856 4.116 0 1 HIAF CN1CCC(c2cn(C)c3cc(OS(=O)(=O)c4c(F)cccc4F)ccc23)CC1 299831700 QJMSCIISZNZUBN-UHFFFAOYSA-N 420.481 4.033 0 1 HIAF CCCCCCNC(=O)CCCCn1cc(CCNC(C)=O)c2cc(OC)ccc21 473171722 VJOAUDLYKGBPCC-UHFFFAOYSA-N 415.578 4.195 0 1 HIAF Nc1c(-c2nc3ccc(I)cc3[nH]2)cnc2c(F)cccc12 587177049 ZZXWMMZEPRAHII-UHFFFAOYSA-N 404.186 4.104 0 1 HIAF CC(C)Oc1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1 587183174 BJQZFVKFZVJKOL-HNNXBMFYSA-N 421.282 4.197 0 1 HIAF CC(C)[C@H](c1nc2c(F)cnc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C 587198027 RWFKGLUOCAWDRO-GFCCVEGCSA-N 401.280 4.424 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(CCc3ccc(C)c(N)c3)nc2c1 587251146 ZNDNMNWJWKZIIJ-UHFFFAOYSA-N 402.292 4.178 0 1 HIAF C[C@@]1(c2ccc3c(c2)CNCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347077 LALIKGYOTRIWCZ-ZCYQVOJMSA-N 403.453 4.451 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(OC(F)(F)F)cccc21 587464679 VXHWKYLZVDGHPY-LJQANCHMSA-N 407.344 4.056 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(O)ccc(O)c21 587476379 BTEXOKMUWYWHQA-RUZDIDTESA-N 416.429 4.209 0 1 HIAF CC(C)(C)OC(=O)NC[C@@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510953 HXFVJKHUKXPENR-XMMPIXPASA-N 415.530 4.221 0 1 HIAF COc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 587580109 HEBQRUKMLVXVPH-URXFXBBRSA-N 414.417 4.289 0 1 HIAF CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599730 ZJMHATHTUUMFOS-YVPSIOQSSA-N 418.445 4.449 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccn2)N1 587677214 HGIXAUFIOQPXHA-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCN(C)C)N1 587738797 CZWRRRDIQFEPIG-RNODOKPDSA-N 407.327 4.152 0 1 HIAF Cc1ccnc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587739584 BIFAXWGZMCCETB-BLVKFPJESA-N 406.299 4.070 0 1 HIAF Cc1cnn(Cc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c1 587756410 DKKFKEUNRCZFEN-BLVKFPJESA-N 404.283 4.358 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CN(C(=O)OC(C)(C)C)C2)N1 587761881 QRYYQHULGXRMDM-JEOXALJRSA-N 413.331 4.205 0 1 HIAF COc1ccc(OCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587861661 BHMWTHBVGOHVEA-UHFFFAOYSA-N 406.360 4.305 0 1 HIAF COc1ccc2[nH]c([C@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)c(C)c2c1 962961685 GZGRHBPXTSYSFL-BEFAXECRSA-N 406.816 4.105 0 1 HIAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]21CCc2cc3c(cc21)OCC3 962963597 ZPDXUPGNOLSBLW-HSZRJFAPSA-N 415.455 4.482 0 1 HIAF Cc1sc2c(c1C)CCN[C@]2(CC1OCCO1)c1ccccc1Br 963011279 PAJOJXHOFINZOE-LJQANCHMSA-N 408.361 4.280 0 1 HIAF Fc1ccc(N2CCN=C2c2ccc(C3=NCCN3c3ccc(F)cc3)cc2)cc1 1857534825 ZVJXSQDSCYHJKC-UHFFFAOYSA-N 402.448 4.498 0 1 HIAF CC(C)(CNC(=O)OC(C)(C)C)CNc1nc(-c2ccncc2)nc2cnccc12 1857598729 WQXZTZZVNQLVNE-UHFFFAOYSA-N 408.506 4.050 0 1 HIAF CC1(C)[C@H]2CC[C@](C)(O)[C@@H](COc3ccc4oc(=O)ccc4c3)[C@@]2(C)CC[C@H]1O 2356539087 BVWJOHUOYZAXKK-YBROWDRVSA-N 400.515 4.136 0 1 HIAF COc1cccc(CNc2nc3cc(-c4cccc(OC)c4)sc3c(=O)n2C)c1 61897720 WWEARWCYRGGDJS-UHFFFAOYSA-N 407.495 4.291 0 3 HIAF CC(C)c1ccc(NC(=O)C2=COC3=NC(=O)N(Cc4ccc(F)cc4)CCN23)cc1 205214099 FXRBOHVJSFAGHE-UHFFFAOYSA-N 422.460 4.053 0 3 HIAF Cc1ccc([C@@H]2CN3C(=O)CN(CC(C)C)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2132082 YFMHJPPUYQOGSC-RXFWQSSRSA-N 415.537 4.164 0 1 HIAF biogenic CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1ccccc1F 4204658 QKOVVMBAWFEFMW-FYYLOGMGSA-N 422.456 4.268 0 1 HIAF COc1cc2c(cc1O)[C@H]1C[C@@H](C[C@H]3CCCCN31)OC(=O)/C=C\c1ccc(O)c-2c1 5371564 CDTGNBVPXHNHGE-TYTXOPEFSA-N 421.493 4.401 0 1 HIAF O=C(c1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21 13735028 VGPSOOBLOHAMJR-UHFFFAOYSA-N 401.401 4.099 0 1 HIAF OC[C@H](c1ccccc1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22925343 LJJAIBPYVXEBMX-AREMUKBSSA-N 416.565 4.144 0 1 HIAF O=C1O[C@](CO)(COC(=O)c2ccccc2)C/C1=C/c1ccc(-c2ccccc2)cc1 26988741 MTAAXYMQPQSRMP-IBYCJETLSA-N 414.457 4.272 0 1 HIAF NCCCCN(Cc1ccc(Br)o1)Cc1ccc(Br)o1 27717241 JGLDKZDMLVDLEG-UHFFFAOYSA-N 406.118 4.139 0 1 HIAF CCCc1c(OCCCCN(C)c2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28397828 PJOFFBPNUHEFJJ-UHFFFAOYSA-N 423.517 4.023 0 1 HIAF CNCc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1 29130519 HZRDBNNJLUYHJA-UHFFFAOYSA-N 413.587 4.086 0 1 HIAF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(C[C@@H](C)O)c1=O 29209857 YYAYOWVVNXCRCP-GFCCVEGCSA-N 417.292 4.468 0 1 HIAF CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 35997424 MRWPMHPRTUDIMC-INIZCTEOSA-N 413.393 4.263 0 1 HIAF C[C@@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(C(=O)c4cccnc4)C[C@@H]23)cc1 40896046 QBVCFQVKWFEYCU-HFRGRHLUSA-N 401.554 4.284 0 1 HIAF CCCOc1cccc2c1OC[C@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)C2 49113888 PEGKCAVIYOLXEP-MRXNPFEDSA-N 401.470 4.110 0 1 HIAF C=C(Br)C(=O)Nc1cccc(/C=C/C(=O)Nc2ccc(OC)cc2)c1 169348576 HUMYKSUEZXXZMC-IZZDOVSWSA-N 401.260 4.194 0 1 HIAF CCOC1(c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cn2)CC1 221306609 DZZAFAJUWXUKNR-DOTOQJQBSA-N 411.506 4.052 0 1 HIAF O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccccc1Cl 299828887 HLYUGVWJGKJACE-IBGZPJMESA-N 415.921 4.138 0 1 HIAF COc1cc2c(cc1OC)CN(C(=O)CC[C@@H]1CCCc3c(OC)cccc31)CC2 299841256 YVHZXHYBMOMGNV-KRWDZBQOSA-N 409.526 4.497 0 1 HIAF CC(C)(SCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)O 586960994 ZEOSLOQXAQJHDT-UHFFFAOYSA-N 413.215 4.320 0 1 HIAF O=C(Nc1nc(Cc2nc3ccc4c(c3[nH]2)CCCC4)cs1)c1cccc(O)c1 587019898 RYHKWLJVUMXILQ-UHFFFAOYSA-N 404.495 4.447 0 1 HIAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587050427 KETUQOCTCFOIEF-UHFFFAOYSA-N 408.266 4.444 0 1 HIAF CN1CCN(c2ccc3nc(/C=C\c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)CC1 587133724 APSDZQRXLSCSCA-HYXAFXHYSA-N 408.374 4.181 0 1 HIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(C)(C)C 587206104 VGQRQOLSYAIZNJ-QGZVFWFLSA-N 401.486 4.370 0 1 HIAF C[C@@]1(c2ccc(NC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331007 CTMIWVFXYGZMQV-REWPJTCUSA-N 406.413 4.296 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1cnccn1)(c1ccc(C(F)(F)F)cc1)O2 587382566 QEYWRVUQMSHSAJ-OAQYLSRUSA-N 413.399 4.489 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C(CCC(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O 587422968 RWQLITNVASNVFH-KSFYIVLOSA-N 412.825 4.133 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C(=O)N(Cc4ccc(C)cc4)c4ccccc41)[C@@H](C2)C3=O 587436032 MJPWBQRCXOHBSE-FNZWTVRRSA-N 411.457 4.193 0 1 HIAF O=c1c2cc(Cl)ccc2cnn1-c1ncc(C(F)(F)F)cc1Br 587651803 OWUHNKXIXLPAFD-UHFFFAOYSA-N 404.573 4.215 0 1 HIAF COc1ccc([C@]2(CO)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691988 FRDWZYUNXCNFRH-YPMLDQLKSA-N 414.702 4.020 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccccn3)CC2)N1 587766126 FJLGSVBCPSVQMN-CQSZACIVSA-N 404.327 4.009 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cnn(C)c2)N1 587766336 VIUFCJPGQPCCFW-XCLFUZPHSA-N 400.295 4.148 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(C(=O)O)ccc23)N1 587804646 RVUQCRIIXKLFLR-NIVTXAMTSA-N 403.251 4.391 0 1 HIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1O 587807832 NVYLYEQJNZJSMR-APBUJDDRSA-N 410.283 4.109 0 1 HIAF CC(=O)C[C@@H]1C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587819198 HNQAGGLZHNKYEG-CJAGKMTESA-N 410.327 4.302 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c(C(=O)O)csc32)N1 587856474 IEDVIMYIBJNFLT-DYBLOJMWSA-N 410.308 4.462 0 1 HIAF Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)cc1F 653699652 ZILSGRRCMROUFQ-UHFFFAOYSA-N 415.833 4.297 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cccc(NC(=O)C2CCC2)c1 963048555 TURULAHIAIRQRM-RUZDIDTESA-N 401.510 4.391 0 1 HIAF Cc1ccc([C@]2(c3cnn(-c4ccc(F)cc4)c3N)NCCc3ccc(O)cc32)cc1 963354725 ZAZHBGWPBUGCDD-VWLOTQADSA-N 414.484 4.045 0 1 HIAF CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cnc(-c4ccccc4)o3)n2)cc1 1857572239 CUUWFYZUEUVREV-UHFFFAOYSA-N 420.494 4.230 0 1 HIAF COc1ccc(C=C2OC(=O)[C@@H](Cc3ccc(O)c(Cl)c3)[C@]2(O)C(C)C)cc1 2356715237 RSVNZCJGMZWPMU-VGOFRKELSA-N 402.874 4.198 0 1 HIAF Cc1ccc(-n2cccn2)c(CN2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)c1 11761934 GMGOWYUFAKEZNW-IBGZPJMESA-N 403.482 4.004 0 3 HIAF COc1ccccc1N1CCN(C[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 13651319 HGYKXQBZRLHXPM-RUZDIDTESA-N 410.558 4.232 0 1 HIAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 22941474 XKSRPDXBGYGWEX-MRXNPFEDSA-N 418.368 4.089 0 1 HIAF COC(=O)c1cccc(-c2nnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1 40878384 MWDWLRROYMLGSF-UHFFFAOYSA-N 413.433 4.401 0 1 HIAF Cc1cc(OCCCNC[C@@H]2CCCNC2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49045729 RTHHHSZUIAECIW-GOSISDBHSA-N 410.537 4.344 0 1 HIAF COc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(OC)cc2)cc1 72124476 SAMGUXJTGJSECB-UHFFFAOYSA-N 421.478 4.223 0 1 HIAF Brc1ccc(-c2nc(CN[C@@H]3CCN(Cc4ccccc4)C3)co2)cc1 72183664 YPXLDTKPXQWSMH-LJQANCHMSA-N 412.331 4.468 0 1 HIAF COc1cc(Nc2nnc([C@H](O)c3cccc(Cl)c3)s2)cc(OC)c1OC 82083159 RCDRAVQARPTZOZ-OAHLLOKOSA-N 407.879 4.043 0 1 HIAF CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(OCCF)cc3)n2)ncn1 84653998 ONJVXOJTVDZPDY-UHFFFAOYSA-N 415.494 4.045 0 1 HIAF COc1ccc(Oc2ccc(C(F)(F)F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1 143182230 IHXQTRXZYHPGIQ-UHFFFAOYSA-N 404.344 4.447 0 1 HIAF Cc1onc(-c2cccc(F)c2)c1CNc1ccc(C(=O)NCC(F)(F)F)cn1 143651203 GTMGSZVEILOOOX-UHFFFAOYSA-N 408.355 4.088 0 1 HIAF COC(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 198839156 KEQYTSCUNYUNLP-IBGZPJMESA-N 418.453 4.406 0 1 HIAF CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccccc4)CC3)ccc21 261187039 XTYOJYXLFHVAHM-HDICACEKSA-N 421.497 4.103 0 1 HIAF COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)C[C@@H]2c1ccccc1)OCO4 473082078 GCHJSHYKQQLMEH-MOPGFXCFSA-N 401.462 4.471 0 1 HIAF CN(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929331 TZHQROWJAMLHHB-UHFFFAOYSA-N 404.706 4.344 0 1 HIAF C[C@@H](O)c1ncc(-c2nc3c(Br)ccc(Br)c3[nH]2)s1 587022627 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CCOC(=O)[C@]1(c2cc(Cl)ccc2OC)c2c(F)cccc2C[C@H]2CCCN21 963089296 GTEQGBKHDIQYHL-ZHRRBRCNSA-N 403.881 4.315 0 1 HIAF C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=S)Nc1ccc(C(F)(F)F)cc1 1196169997 RSJHPPAILDWGOT-LBPRGKRZSA-N 403.470 4.343 0 1 HIAF CCCN(CCC/C=C/c1ccc(O)c(OC)c1)[C@H]1CCc2[nH]c(=N)sc2C1 1857556115 DCTJWNXQZKKVMP-UABRLCRWSA-N 401.576 4.333 0 1 HIAF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c(Cl)[n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c2cccs2)C[C@@H]1c1ccc(F)cc1 4263083 KJQRYDKPNSUCSC-OAHLLOKOSA-N 405.545 4.401 0 3 HIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 775677 MLHPVEQCCXWDFL-LJQANCHMSA-N 422.525 4.371 0 1 HIAF COc1cc2[nH]c(-c3ccc4c(c3)[C@H](N(C)C)CC4)cc(=O)c2cc1-c1cnco1 3948302 YCVNIYVQUIRAJP-OAQYLSRUSA-N 401.466 4.408 0 1 HIAF CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 4206283 GPOBRHWJZYGGCV-JZWVFAODSA-N 422.912 4.472 0 1 HIAF CC(=O)c1ccc2c(c1)c1c3c(c4c(c1n2C(C)C)CCc1nn(C)cc1-4)C(=O)NC3 29125353 FMIWNLDVSLITSM-UHFFFAOYSA-N 412.493 4.321 0 1 HIAF COc1ccc2c(c1)c([C@H](C)N(O)C(N)=O)c(C)n2C(=O)c1ccc(Cl)cc1 29402895 GMMZGDJCJCDIFZ-LBPRGKRZSA-N 401.850 4.131 0 1 HIAF COc1ccc2nc(-c3cc(-c4ccc(NC(=O)C(C)C)cc4)cnc3N)[nH]c2c1 45322521 JUXFUDCULOCGEE-UHFFFAOYSA-N 401.470 4.477 0 1 HIAF CCCc1ccc(-c2onc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 68267264 ONZUVEJDCZJBGN-UHFFFAOYSA-N 404.466 4.370 0 1 HIAF COc1ccc(-c2cc(NCCCN(C)c3ccccc3)ncn2)c(OC)c1OC 82160411 XXOZGVZLSOTWQR-UHFFFAOYSA-N 408.502 4.108 0 1 HIAF CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2ccc(F)cc2c1=O 84687210 WTUVLHOWBGVSAJ-UHFFFAOYSA-N 413.382 4.318 0 1 HIAF CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cc(OC)c(F)cc2c1=O 95557661 SUXJWGAAWOVYLH-UHFFFAOYSA-N 420.234 4.282 0 1 HIAF OCC1CCN(c2nnccc2Oc2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1 95561814 RLJLWNLTEFLAEE-UHFFFAOYSA-N 416.485 4.098 0 1 HIAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(OC(=O)c4ccccc4)cc3O2)cc1O 95563233 IFTCIPUASVVMKC-FQEVSTJZSA-N 406.390 4.032 0 1 HIAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CCCC3)C23CN(C(=O)CC2CC2)C3)cc1 95666802 MUBFJLACWZUKTG-SMFMQSIBSA-N 408.586 4.051 0 1 HIAF Cc1ccc2c(ccn2S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)c1 100632617 HYOHFZVQACJCLG-VQIMIIECSA-N 405.523 4.028 0 1 HIAF Cc1cc(C)c(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)c(C)c1 100705138 YEYPKPWZROWBQA-UHFFFAOYSA-N 406.511 4.435 0 1 HIAF Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3nccs3)c2)cc1 113757080 ZJRRVRSVYJPIFT-GOSISDBHSA-N 421.566 4.236 0 1 HIAF CCC[C@@H](Nc1cncc(-c2ccc(C(=O)NCCN(C)C)cc2)n1)c1ccccc1 136840753 IGVQRCQKLYRQIR-JOCHJYFZSA-N 417.557 4.388 0 1 HIAF CC(=O)N1c2ccccc2Sc2ccc([C@]3(O)CN(C)[C@H]4CCCC[C@@H]4O3)cc21 261113674 ILKCLTYYJHHDOS-NYDSKATKSA-N 410.539 4.254 0 1 HIAF COc1ccc([C@H](CC(=O)O)NC(=O)c2cccc(-c3ccccc3Cl)n2)cc1 261125138 KBXASOWVAVXELL-FQEVSTJZSA-N 410.857 4.356 0 1 HIAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Cl)c(F)cc2[nH]1 586945655 KSHNHUDGUMUWCK-UHFFFAOYSA-N 411.867 4.155 0 1 HIAF Cc1cc(Cl)cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586953737 QZGUMGAEWWKHSX-UHFFFAOYSA-N 404.904 4.449 0 1 HIAF O=C(Nc1nc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cs1)c1cccc(O)c1 587018993 CSOONRCRFRHBJE-UHFFFAOYSA-N 422.363 4.125 0 1 HIAF Ic1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587043443 ZNKBYJQHGPRJQM-LSDHHAIUSA-N 421.307 4.114 0 1 HIAF CS(=O)(=O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587162405 BUOSIJDSBKVFCF-UHFFFAOYSA-N 409.442 4.025 0 1 HIAF Cc1nc(N(C)C)ncc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587195528 WSDQOMWERKAPQA-UHFFFAOYSA-N 400.202 4.176 0 1 HIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(C)(C)C 587205223 NYCKJROWYHYXBU-MRVPVSSYSA-N 421.851 4.459 0 1 HIAF Nc1cccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587334707 KDZNNDZFBYBRQB-VWNXMTODSA-N 421.424 4.233 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587558558 WZTFPXFXWAJINV-OFITYZOYSA-N 414.429 4.184 0 1 HIAF Cc1noc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 587588876 UQOKYCTYHZODFL-KNQAVFIVSA-N 400.390 4.454 0 1 HIAF CCOC(=O)Cc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599655 YKNKCEFREZDADL-WIOPSUGQSA-N 418.445 4.375 0 1 HIAF Cc1cc(C)nc(SC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587608489 QZTYSLJYYHUGLX-XMSQKQJNSA-N 408.479 4.312 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)ccc(F)c2C(=O)O)N1 587723363 XHQNEICKTWHFCD-NTCNTBNZSA-N 414.221 4.362 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3ccnc3)cc2)N1 587753433 ISCLRRNLCGZXPB-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF COc1ccccc1[C@@]1(CNC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587754407 JPNHIRDGIGIGJU-SPLOXXLWSA-N 421.354 4.373 0 1 HIAF Cc1nn(-c2ccncc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587764223 PDQTUDURXOZGLB-WYRIXSBYSA-N 401.283 4.101 0 1 HIAF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccccn1 587766723 WSQGKKGSIUGEDE-FKIZINRSSA-N 415.310 4.275 0 1 HIAF Cc1[nH]c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1CCC(=O)O 587795497 XSRHDAWIYUESCI-HOGDKLEQSA-N 409.299 4.174 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2(C(=O)O)CC2)N1 587825384 HRMHAWDUDZTOCY-FKIZINRSSA-N 404.279 4.231 0 1 HIAF CCOC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc1C 587830694 UCVKNXSNCAXFPG-DGIBIBHMSA-N 410.283 4.464 0 1 HIAF CCc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(S)n1 587841430 BJBSRPBRORDNBN-YYSFKGJASA-N 410.356 4.335 0 1 HIAF Nc1ccc(-c2cc(O)n(-c3nn(COc4ccccc4F)cc3Cl)c2O)cc1 587945829 OQRAXJILHDACDR-UHFFFAOYSA-N 414.824 4.163 0 1 HIAF CCCN(CCC)CCc1cccc2c1[C@]1(NCCc3ccc(F)c(C)c31)C(=O)N2 962095995 ZACHYDZOFMHANL-VWLOTQADSA-N 409.549 4.140 0 1 HIAF Cc1ccc2c(c1)[C@]1(CCO2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963182178 NHLFWOWCOAMHNH-LIRRHRJNSA-N 411.807 4.292 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCOc2c(Br)cc(C)cc21 963609761 OHFWBQDUDZMSJN-YEJXKQKISA-N 418.331 4.335 0 1 HIAF O=C1c2ccccc2N[C@@H](c2ccccn2)N1c1ccc(OCCn2ccnc2)cc1 1772607387 HILFCBSUDXXTTG-HSZRJFAPSA-N 411.465 4.128 0 1 HIAF Cc1ccccc1-c1cn(CCn2c(=N)sc3cc(OC(F)(F)F)ccc32)nn1 1857630472 GGFHJZYZLQJHEP-UHFFFAOYSA-N 419.432 4.348 0 1 HIAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@@H]2[C@H]1O 2356603506 JIMBNUYQTGVXSH-FQXKMVGKSA-N 422.654 4.235 0 1 HIAF Cc1c(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c(=O)n(-c2ccccc2)n1C 19791413 UWOAAFCEQZSKOB-IBGZPJMESA-N 423.944 4.233 0 3 HIAF CCCCn1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(C(=O)O)c1C 13760999 LSFJDFKWFYMGMX-UHFFFAOYSA-N 416.485 4.128 0 1 HIAF CN(CCc1ccccc1)Cc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1 28113121 UONUIBHLDKGDTL-UHFFFAOYSA-N 424.508 4.308 0 1 HIAF c1cc(OCc2ccc3ccccc3n2)cc(OCc2ccccc2Cc2nnn[nH]2)c1 28219212 DNSSVABDWKOXNR-UHFFFAOYSA-N 423.476 4.497 0 1 HIAF O=C1C(=O)N(C/C=C/c2ccccc2)c2c(Br)cc(Br)cc21 28711836 RCOOJYSKHVRBDN-QPJJXVBHSA-N 421.088 4.454 0 1 HIAF CN1C(=O)[C@@H](Cc2ccccc2Cc2ccccc2)NC(=O)c2cc(Cl)ccc21 40764052 PPNTUOWARRYFBM-OAQYLSRUSA-N 404.897 4.248 0 1 HIAF O=c1cc(OCc2cccc(F)c2)ccn1-c1ccc(OCCN2CCCC2)cc1 66262938 RRRMNLLTGSQHGV-UHFFFAOYSA-N 408.473 4.030 0 1 HIAF CC1(C)[C@@H]2CC[C@H](CN3C(=O)CC(=O)N(CCc4ccc(Cl)cc4)C3=O)[C@H]1C2 101678164 DHCUZFWNXIADAL-JFIYKMOQSA-N 402.922 4.136 0 1 HIAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1F 104116326 DWNLWPOYBFAKIE-IDTYTIONSA-N 424.274 4.247 0 1 HIAF O=C1CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)cccc43)cc2N1 143413275 NFBLEBUONNIEQI-QGZVFWFLSA-N 419.403 4.034 0 1 HIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4c3ccc(F)c4F)cccc21 143494033 FDDQNIKRQRRRGW-MRXNPFEDSA-N 413.424 4.241 0 1 HIAF N=c1c2cc(-c3ccc(Br)cc3)n(-c3ccccc3)c2[nH]c(=S)n1N 169306580 GLPLSRJOOKMOMF-UHFFFAOYSA-N 412.316 4.112 0 1 HIAF Clc1ccc(NCC2CCOCC2)nc1-c1ccnc2[nH]c([C@H]3CCNC3)cc12 220164190 UHCUSFAGHYCWTL-HNNXBMFYSA-N 411.937 4.194 0 1 HIAF Cc1cnn(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2F)c1 221130117 QXWVWXLWPUQHOJ-HNAYVOBHSA-N 424.480 4.264 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc4cn[nH]c4cc3[nH]2)cc1 586949879 FBSCJMNKSRWXPE-UHFFFAOYSA-N 403.467 4.215 0 1 HIAF c1ccc2c(c1)ncc1nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969814 OLSMJUXRFMFSTI-UHFFFAOYSA-N 403.423 4.182 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587075581 IXKYUEMWYRNOGT-UHFFFAOYSA-N 400.891 4.171 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(OC)n(-c4ccccc4F)n3)nc2c1 587155142 ASKUAJWDLVHMRX-UHFFFAOYSA-N 400.797 4.003 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@@H](C(=O)O)[C@H]2CC3)c1 587363596 QZIXZHXPSCUGMU-TUVUNVSASA-N 414.461 4.359 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(CSC3=NCCS3)c1)O2 587412841 CUVOBSJZVMJOOK-NRFANRHFSA-N 414.552 4.499 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(I)s1)[C@@H](C2)C3=O 587427042 GMTOUXGICGLQIB-QFYYESIMSA-N 412.248 4.024 0 1 HIAF CC(C)(C)C(=O)Nc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576869 IPGUNDOLONRSBS-SIKLNZKXSA-N 418.449 4.475 0 1 HIAF CCCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587596296 QQNQXJBGGXRTKG-HYBUGGRVSA-N 401.418 4.154 0 1 HIAF COc1cccc(OC)c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656458 KYZPBMIEKZFAEG-UHFFFAOYSA-N 422.387 4.047 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)(c2nccn2C)N1 587731785 ZXNMFRQLQJNFBZ-MPBGBICISA-N 418.285 4.287 0 1 HIAF CCCOc1ccccc1[C@@]1(CN)N[C@@H](C)Cc2ccc(F)c(Br)c21 587750133 RRHMBAYTRQFNNZ-RNODOKPDSA-N 407.327 4.114 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587760374 XWACYNYCRNQORV-YBTHPKLGSA-N 415.310 4.409 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncn2)(c2ccccc2)N1 587777400 HGQZEICNIQTNGI-QKKBWIMNSA-N 412.306 4.399 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccco2)(c2ccco2)N1 587831011 VEIHXWUEWBIWKG-JEOXALJRSA-N 404.235 4.435 0 1 HIAF CC[C@H](C)c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 587957015 XZVBDXQHQWQKLM-KRWDZBQOSA-N 405.546 4.076 0 1 HIAF Cc1ccccc1-c1ccc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 587958619 BSZCAGHBGMGFBT-UHFFFAOYSA-N 405.523 4.379 0 1 HIAF COc1ccc2c(c1OC)[C@H](c1ccc(O[C@@H](C)C(=O)O)c(Cl)c1)N(C)[C@H](C)C2 962642218 YWBIFOLEGAGBLZ-UVARLRKDSA-N 419.905 4.175 0 1 HIAF COc1cc(Br)ccc1[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962731266 RCHAYVCDELBAPH-GOEBONIOSA-N 414.221 4.193 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ccc(F)cc2)(c2cc(F)c(F)c(F)c2)N1 962917068 ZAEJJLTUSIDYJV-UGKGYDQZSA-N 419.349 4.273 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@]2(CCc3c(F)cc(F)cc32)N1 962924182 NSYSFTXQOQIQSK-UPVQGACJSA-N 423.415 4.251 0 1 HIAF FC(F)(F)c1cccc2c1[C@H](c1ncc(-c3ccccn3)o1)NCC21CCOCC1 962961140 SQNGNLZKHFGANN-LJQANCHMSA-N 415.415 4.496 0 1 HIAF C[C@@H](CO)Nc1cc2c(cn1)CCN(C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C2 1772603109 ZNGYJSFEQYEVQE-QWHCGFSZSA-N 423.344 4.010 0 1 HIAF COc1cccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3cn2)c1F 1857585461 OCPVJYXGSDFYKD-UHFFFAOYSA-N 402.429 4.103 0 1 HIAF CC(C)N1CCN(c2ccc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)cc2)CC1 1857605576 LIOUUPWKCSWCQE-UHFFFAOYSA-N 413.525 4.299 0 1 HIAF CN(C)C1=N[C@H](c2ccc3cc(OCc4cccc(Cl)c4)ccc3c2)NC(=N)N1 1857758104 ICEUUMXMSNHIJX-HXUWFJFHSA-N 407.905 4.116 0 1 HIAF CCc1nc2c(OCc3ccc(F)cc3)cccn2c1N(C)C(=O)c1ccncc1 61896875 VNDTZISBLPBQCM-UHFFFAOYSA-N 404.445 4.286 0 3 HIAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 767670 FUYIUFXFFSABAU-LADGPHEKSA-N 415.493 4.076 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1 1539595 MTUFZLVOIXMPKC-HXUWFJFHSA-N 406.438 4.187 0 1 HIAF CC[C@@H](C)C(=O)O[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 1623088 PCZOHLXUXFIOCF-QKYYOVJNSA-N 404.547 4.196 0 1 HIAF O=C1c2ccccc2N(Cc2ccccc2)S(=O)(=O)N1Cc1ccccc1Cl 6579978 PMBSWUKMAFQGQE-UHFFFAOYSA-N 412.898 4.247 0 1 HIAF Clc1ccc(OCCc2ccccc2)c(CCN2CCN(c3ncccn3)CC2)c1 13795872 PVWHKQCDSLCNIO-UHFFFAOYSA-N 422.960 4.116 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)N(C(=O)OCC)[C@H]1c1ccccc1Br 26482364 OMFZZYIQGFYRTI-INIZCTEOSA-N 409.280 4.218 0 1 HIAF COc1c(C)cnc(C[S@@](=O)c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1C 26642349 GXBUSAZZNNUVRM-NDEPHWFRSA-N 411.405 4.084 0 1 HIAF C[C@H]1C(=O)[C@]2(CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)CC[C@H]1C2(C)C 27305071 ZIKSQYXDYRQMMQ-ROMRWMGNSA-N 413.583 4.018 0 1 HIAF NCCCC[C@H]1NC(=O)c2ccc(Cl)cc2N(Cc2ccc3ccccc3c2)C1=O 29133252 IQTNNPZWBIUVSN-OAQYLSRUSA-N 421.928 4.267 0 1 HIAF COC(=O)CC/C=C/CC[C@H]1C(=O)C[C@@H](O)[C@H]1/C=C/C[C@@](C)(O)/C=C/C1=CCCC1 34192606 ZZVPHCPLTZTOBC-AEVIDIPNSA-N 416.558 4.206 0 1 HIAF O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCN(c2ncccn2)CC1 34805712 ADTXZYYEAXTUID-UHFFFAOYSA-N 412.415 4.125 0 1 HIAF Cc1ccc(NC(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@@H]3[C@]2(C)CO)cc1 43554387 DFPGMORDBHSFDI-UMAOWIGISA-N 401.503 4.053 0 1 HIAF biogenic NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1Br 45226947 WOCIHGWFUQHYMB-UHFFFAOYSA-N 420.310 4.050 0 1 HIAF CC(C)CCn1cc(-c2cccc(S(=O)(=O)Nc3ccccc3C(=O)O)c2)cn1 45245640 AWKXLFDEOJCVLB-UHFFFAOYSA-N 413.499 4.095 0 1 HIAF CNc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1 71316377 JCQXXRQZZUXOPX-UHFFFAOYSA-N 424.448 4.483 0 1 HIAF COCCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 82159058 FJXOSVJUYJARHX-UHFFFAOYSA-N 416.525 4.177 0 1 HIAF CC(C)(C)Cc1nc2c(NCCc3ccccc3F)ncnc2n1C[C@H]1CCCO1 82181041 GCZPWSYAUSSJJT-QGZVFWFLSA-N 411.525 4.388 0 1 HIAF O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(OCC2CC2)c(-c2ccc(Cl)cc2)n1 103247953 XVEVUOUYQFTGST-IEBWSBKVSA-N 400.906 4.224 0 1 HIAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@H]1c1cccc(Cl)c1 103341402 CGGWAIBHRMCQBK-QVBIXKNESA-N 405.878 4.310 0 1 HIAF CCCOc1cccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142582680 QGAKBOQHXDPINF-MDWZMJQESA-N 422.506 4.355 0 1 HIAF CC(C)C(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2Cc2ccc(F)cc2F)C1 206365518 YVSHBWDHGZHORC-UHFFFAOYSA-N 420.463 4.289 0 1 HIAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1ccc(Cl)c(F)c1Cl)C2 219525500 UOFXWGNDSFYNMP-SECBINFHSA-N 420.275 4.208 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@H](CC(=O)NCc1ccco1)C2=O 299870133 NSHKXWHQUTUXRS-DCNRUEEBSA-N 407.510 4.343 0 1 HIAF in-vivo CSc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c2c1 586954627 LPIZTJWNXZFISW-UHFFFAOYSA-N 401.557 4.162 0 1 HIAF CCOc1cc(/C=C\c2nc3c(Cl)ncnc3[nH]2)cc(Br)c1OC 586978533 WIPXAIWQIMPYLP-PLNGDYQASA-N 409.671 4.347 0 1 HIAF Cc1cnc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 587008233 RCVOHOPQHNLVMR-UHFFFAOYSA-N 411.259 4.465 0 1 HIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc(I)c2[nH]1 587068711 BRGAXIQUXVBHMI-LLVKDONJSA-N 411.674 4.106 0 1 HIAF CCOC(=O)Cc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587076636 NDGDFWATOBOIFL-UHFFFAOYSA-N 410.861 4.157 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587093714 RKVWYAPNMXGMCL-UHFFFAOYSA-N 401.435 4.073 0 1 HIAF CC(C)Oc1cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br 587094215 NCCQSLVTVVBUSK-QMMMGPOBSA-N 408.218 4.242 0 1 HIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1 587147756 ZIZLSMRQMHULCG-UHFFFAOYSA-N 404.401 4.027 0 1 HIAF Cc1cc(Cl)cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c12 587182419 ODUWXYSCXLRGHL-SECBINFHSA-N 400.651 4.244 0 1 HIAF CCOC(=O)[C@H](C(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345369 FHKSDQBYAWHORE-JTAQYXEDSA-N 400.446 4.484 0 1 HIAF COCC[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361415 YLLSRYXHHORVGP-GGAORHGYSA-N 400.446 4.092 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(CNC(=O)OC(C)(C)C)(C(F)(F)F)C1)O2 587382584 QIJGRYFDSMXYJW-UHFFFAOYSA-N 414.424 4.148 0 1 HIAF Cc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587395251 PDKPXVMRLXDMFE-SFHVURJKSA-N 400.438 4.007 0 1 HIAF O=Cc1sc(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)nc1Cl 587536148 SEDHTCIQWJKXGT-UHFFFAOYSA-N 416.930 4.492 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC 587589763 AERSXHXFCAQJBB-NQIIRXRSSA-N 408.406 4.121 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594480 OFVRSKXTLNNQNQ-NZQKXSOJSA-N 406.390 4.029 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(Cl)cc3)n2)N1 587694334 GNSYEDCBBBTFGX-XTZNXHDOSA-N 421.701 4.446 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(N)sc32)N1 587854501 CCYVPITWZIWTCU-DYBLOJMWSA-N 410.356 4.377 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccn2-c2ccccc2F)N1 962701990 HHMSWGWKPUBAKP-APWZRJJASA-N 422.353 4.463 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]31CCOc2ccc(Br)cc21 963054470 JIJYBHZUQQAJLV-OAQYLSRUSA-N 411.299 4.178 0 1 HIAF Cc1c(O)ccc2c1[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](C(=O)O)C2 963491330 MBJPSXMIYQFUQS-XJKSGUPXSA-N 419.321 4.427 0 1 HIAF COc1cc2ccc(=O)oc2cc1OC(=O)c1c(-c2ccc(Cl)cc2)n[nH]c1C 1772583073 DPKYZQMPGYBVDY-UHFFFAOYSA-N 410.813 4.373 0 1 HIAF CCSc1nc2scc(C(F)(F)F)n2c(=O)c1C(=O)N1C[C@H](C)C[C@@H](C)C1 1857582649 MWZOUAQEJQLUOW-NXEZZACHSA-N 419.494 4.005 0 1 HIAF CCCCN[C@H](c1cc2cc3c(cc2nc1O)OCO3)P(=O)(OCC)OCC 1857648949 ICSNDASYGIGGIF-IBGZPJMESA-N 410.407 4.324 0 1 HIAF Cc1cccc(Cl)c1NC(=O)N=c1[nH]nc2c3c4c(sc3ncn12)CCCC4 1857770632 JLBPZWQVUOUCTR-UHFFFAOYSA-N 412.906 4.246 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]21)[C@H](OC(C)=O)C1=C(C)C(=O)O[C@H]1C3 2356480384 AMSYBMMUEQADOI-QUWPRKBASA-N 416.514 4.030 0 1 HIAF CN1[C@@H]2C[C@H](OC(=O)C=Cc3ccccc3)[C@@H]1C[C@H](OC(=O)C=Cc1ccccc1)C2 2356711455 ZHJUOEJQLDHSBJ-KIHHCIJBSA-N 417.505 4.103 0 1 HIAF Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@@H](C(=O)NCc2cccnc2)C1 4057497 YMDIOEQCQLSZQW-LJQANCHMSA-N 424.932 4.227 0 3 HIAF Cc1nn(-c2ccccn2)c2nc(-c3cccs3)cc(C(=O)NCc3ccco3)c12 6626124 LOLVEFCWAUXSIM-UHFFFAOYSA-N 415.478 4.375 0 3 HIAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1OC 774174 LUBLGIHVGYEZOL-HNAYVOBHSA-N 424.497 4.163 0 1 HIAF O=C(O)CCCCCCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 13727580 DZIUAQZINBCBKV-UHFFFAOYSA-N 408.498 4.297 0 1 HIAF Cc1ccc(F)c(NC(=O)Nc2ccc(C3=Nc4c(N)ncnc4NCC3)cc2)c1 29049135 DNLUUFFUPPKOJE-UHFFFAOYSA-N 405.437 4.087 0 1 HIAF O=c1[nH]c(NCCCNCc2cc3c(Cl)cc(Cl)cc3[nH]2)nc2ccsc12 33970058 MRLRKVAZISCWHB-UHFFFAOYSA-N 422.341 4.365 0 1 HIAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@@H]3CC[C@@]21C 34801306 SLZJMEMEWDUTRZ-KRLYBMSPSA-N 403.611 4.127 0 1 HIAF CCCC[C@@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 36486836 LFGZMZXZOVNLKZ-IEBWSBKVSA-N 417.527 4.382 0 1 HIAF O=C1OC2(CCC(CNc3ccc(C(F)(F)F)cn3)CC2)CN1c1ccccn1 64541176 DIQDESQCRRBUBR-UHFFFAOYSA-N 406.408 4.493 0 1 HIAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1ccccc1C(F)(F)F 73141807 MGHXJPGFHCEQPA-ICSRJNTNSA-N 408.372 4.104 0 1 HIAF Fc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCc2ccccn2)cc1 82185543 PYCUVQSIUVVMNC-UHFFFAOYSA-N 414.444 4.475 0 1 HIAF CCCC[C@@H]1CNC2=[N+]1C[C@@H](Cc1ccc(OC)cc1)N2CC[C@@H]1C[C@@H]2CC[C@@H]1C2 141583374 KWTDWBFTETWUMK-MRKXFKPJSA-O 410.626 4.279 0 1 HIAF COC(=O)[C@]1(/C=C\[C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@@H]21 195422571 KAZMGBQDEYZMGJ-OYCXQRLTSA-N 409.320 4.297 0 1 HIAF Cc1ccoc1C(=O)Nc1cccc([C@H]2CN=C3c4ccccc4NC(=O)N3C2)c1 206976150 PPTJGAOTAUVJFG-INIZCTEOSA-N 400.438 4.232 0 1 HIAF Cc1cc(Br)sc1CNCCCNc1cc(=O)c2ccccc2[nH]1 230568508 ACXGZKJWWSRIMI-UHFFFAOYSA-N 406.349 4.252 0 1 HIAF Cc1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 586949907 GEQWHZOKTSXURH-UHFFFAOYSA-N 421.478 4.110 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ccnc3[nH]2)C[C@@H]2CCCC[C@H]21 586961407 RAIVQWBAAVFFHW-XKQJLSEDSA-N 416.934 4.306 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2cc1OC 587064401 ASSVJXWRQBCWAV-UHFFFAOYSA-N 410.861 4.481 0 1 HIAF FC(F)(F)CSc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccn1 587092269 BUOIBUBPNIALIW-UHFFFAOYSA-N 408.449 4.112 0 1 HIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587147541 SMFOJCRXIRLNKM-UHFFFAOYSA-N 406.369 4.472 0 1 HIAF CC[C@H](c1nc2ccc(Cl)cc2[nH]1)n1cc(I)c(C)n1 587186428 WIFCZNAEADYZJI-CYBMUJFWSA-N 400.651 4.325 0 1 HIAF CCc1cc(=O)oc2cc(C)cc(OC[C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 587454302 SJXOWKPROSRMTF-CRICUBBOSA-N 420.461 4.258 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCO)cc1Br)CC2=O 587455405 BMYQVQWBPFMDHL-IBGZPJMESA-N 421.287 4.185 0 1 HIAF Cn1c(C(=O)O)cc(Br)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587505944 WMAUINPSRHLSBC-MRXNPFEDSA-N 404.260 4.071 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585065 CHJNZKCADMDFMA-HVXFUGBPSA-N 423.465 4.264 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Br)s1 587610359 FORJFENULVJBCU-BBRMVZONSA-N 404.241 4.314 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ccnc(F)c3)c(=O)c3ccccc23)c(O)c1 587666513 FELYYWWTWPFPBS-UHFFFAOYSA-N 404.445 4.139 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(CN=O)=COc1ccccc12 587743481 WRKVYCLVUGTUDN-NSPYISDASA-N 403.251 4.409 0 1 HIAF CCn1cc([C@]2(C(F)(F)F)NC3(CC3)Cc3ccc(Br)cc32)c(C)n1 961611943 DVHSZVLUBWWQFU-QGZVFWFLSA-N 414.269 4.458 0 1 HIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@]34CCN3Cc5ccccc5N[C@@H]34)C2)cc1 962648682 XZKPUWSAVJVHPG-KGPYPHOUSA-N 422.576 4.286 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCOC3(CCOCC3)C1)N(Cc1ccc(F)cc1)CC2 963303518 PZESROJFRYLPNJ-VWLOTQADSA-N 411.517 4.448 0 1 HIAF Cc1cc2c(cc1O)[C@@](C)(c1sc(-c3cccc(F)c3)nc1C)N[C@H](C(=O)O)C2 963472968 QJBQQYOKLXFQNY-JTSKRJEESA-N 412.486 4.134 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)c1cncc(F)c1 963903696 DROKCWULTYLDRO-WZONZLPQSA-N 414.477 4.429 0 1 HIAF COc1cc2nc(NCCCCC(C)C)nc(NC3CCN(C)CC3)c2cc1OC 1772597516 PZFSXMLFZTZWAI-UHFFFAOYSA-N 415.582 4.391 0 1 HIAF O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ccccc1C(F)(F)F 1772657950 RYRMTJIVZIXIJM-STQMWFEESA-N 418.341 4.277 0 1 HIAF O=C(NCCc1c[nH]c2ccccc12)c1cc(Br)c(Br)o1 1857534658 YWLFVYBJNPBPQK-UHFFFAOYSA-N 412.081 4.258 0 1 HIAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@H](CO)[C@]2(C)CCc1ccoc1 2356520121 AIGWUCNUZVDRHF-MZSBUEKBSA-N 418.530 4.370 0 1 HIAF CSc1ccccc1C(=O)N1CCc2ccc(NC(=O)c3ccccn3)cc2C1 12592106 QTRGKWMUUFMLCJ-UHFFFAOYSA-N 403.507 4.254 0 3 HIAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)c3c(CO)cc(O)c(OS(=O)(=O)O)c3C[C@@H]12 13437227 DKGKQANSDMUTMV-XWOARTFESA-N 424.559 4.123 0 1 HIAF biogenic CCN(C)CCOc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1 14976386 SKDXNKDCRIQAKF-UHFFFAOYSA-N 413.525 4.437 0 1 HIAF CCc1cc([C@H]2OC[C@@H]3[C@H](c4cc(CC)c(O)c(OC)c4)OC[C@H]23)cc(OC)c1O 15043037 ORPAPYNMUNVYJC-BYIOMEFUSA-N 414.498 4.315 0 1 HIAF biogenic C[C@@](O)(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 26009408 DNYCEXVCJFBDSF-QZTJIDSGSA-N 412.704 4.034 0 1 HIAF Cn1c(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)c2ccccc2)C3)cc2ccccc21 28949528 VCOMAOSFHGZPHP-NRFANRHFSA-N 402.519 4.291 0 1 HIAF O=C1OC2(CCC(C(=O)Nc3csc(-c4ccccc4)n3)CC2)c2cnccc21 45386721 OYYWUJLGWLCFON-UHFFFAOYSA-N 405.479 4.400 0 1 HIAF O=C1O[C@](CO)(COC(=O)c2ccc(C(F)(F)F)cc2)C/C1=C/C1CCCCC1 45497070 ALUAJHJNQWUKDB-IKXXZMEWSA-N 412.404 4.047 0 1 HIAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(C3CN(CCF)C3)c[nH]c2c1 72118268 HSSYJLUDDDEVOO-UHFFFAOYSA-N 417.484 4.267 0 1 HIAF C[C@]1([C@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O 72177816 NULRLJVQRLNULH-RHSMWYFYSA-N 400.258 4.273 0 1 HIAF Cc1cc(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)CC2)c2ccccc2n1 72186107 LUUFAIKUJWGTAE-UHFFFAOYSA-N 400.482 4.226 0 1 HIAF COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCCC(C)C)c2cc1OC 82130767 IJJIQYOPGJTVGF-FQEVSTJZSA-N 424.545 4.275 0 1 HIAF Cc1ccc(C(=O)COCc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C 101377469 WBCVMAVNUDRXKK-SZPZYZBQSA-N 403.478 4.159 0 1 HIAF S=C1N[C@H](c2ccc(Cl)cc2)[C@@H]2CNC/C(=C\c3ccc(Cl)cc3)[C@@H]2N1 103231030 PZPVJFQTDWDACU-JRSOVWTGSA-N 404.366 4.184 0 1 HIAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCOC(C)(C)C2)cn1 143936400 SCNVAPBORONMNB-IBGZPJMESA-N 421.497 4.311 0 1 HIAF CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)nn2)cc1)C(=O)O 205343551 OOWIYGJDOHLCMA-UHFFFAOYSA-N 406.364 4.042 0 1 HIAF CC[C@H]1C[C@]2(C[C@@H](CC)N1)C(=O)N(CCc1ccccc1)C(=O)N2c1ccccc1 253666854 QXIBZXMYFNEWGV-GQEURGSBSA-N 405.542 4.377 0 1 HIAF O=C(O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985880 STBFWDRFZSCNNK-KRWDZBQOSA-N 400.276 4.209 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587041116 CYNBJJYOWMDOPG-OAHLLOKOSA-N 422.432 4.263 0 1 HIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cnnc(O)c2[nH]1 587086869 NJSBQRUVCMXEQM-VOTSOKGWSA-N 401.257 4.089 0 1 HIAF COc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Cl 587119468 WNMUUTFRPAHEMJ-UHFFFAOYSA-N 423.620 4.445 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587167013 DTTRZZWKKXXPFW-GOSISDBHSA-N 408.412 4.396 0 1 HIAF COc1cc2c3c(c1)OC1(CCC(C(=O)O)(c4cccc(Cl)c4)CC1)[C@@H](C2)C3=O 587418052 GUWXASCBDBVRLK-YTZBPGPESA-N 412.869 4.431 0 1 HIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCN(C(=O)OCc3ccccc3)C1)CC2=O 587474160 CRCDUZMTAPAPOK-JTSKRJEESA-N 409.482 4.337 0 1 HIAF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](N=O)C2 587740422 JZIMUFUIXZPYOR-KEMVTONXSA-N 405.267 4.066 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2ccccn2)N1 587752806 GIFRHPIJBFPCDO-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF Cc1cnn(Cc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c1 587759690 MAAJHDJHWXNTRW-BUXKBTBVSA-N 404.283 4.358 0 1 HIAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC 587808072 ONTGZOYEFZUXGP-MGNBDDOMSA-N 410.283 4.238 0 1 HIAF O=C(Nc1ccc(OC(F)(F)F)cc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874123 QMSWHOPTBNACOH-UHFFFAOYSA-N 407.279 3.972 0 1 HIAF CC(C)c1nn(C)c2c1[C@]1(NCC2)C(Br)=COc2ccc(Cl)cc21 962921966 VDIVFKGKEUPFJY-GOSISDBHSA-N 408.727 4.215 0 1 HIAF CC(C)c1nn2ccccc2c1[C@]1(C(C)C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963030337 QPRARJXYUKDPBC-CRICUBBOSA-N 402.542 4.411 0 1 HIAF Cc1cccc([C@]2(c3cccc(C)n3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963232543 OJSOBAXDFJKHJI-OZXSUGGESA-N 409.489 4.137 0 1 HIAF CCCC[C@@H](COCC(=O)OC(C)(C)C)NC(=O)C(=O)CCCCc1ccccc1 1772616496 LCHHAKGVPYSZMI-FQEVSTJZSA-N 419.562 4.002 0 1 HIAF CN1CCN(c2ncc(-c3ccc4c(NC5CCCCC5)ccnc4c3)cn2)CC1 1857565510 WFGXHPAHGZLTGY-UHFFFAOYSA-N 402.546 4.188 0 1 HIAF Cc1cccc(C)c1Cn1c(C)c(C(=O)NCc2cccc(Cl)c2)sc1=O 61908229 QMVOGDOGPHYYOD-UHFFFAOYSA-N 400.931 4.467 0 3 HIAF Cn1c(O)c(C(=O)C[C@H](Nc2cccc(N)c2)c2cccs2)c(=O)c2ccccc21 3846497 UIETWYLONYEJCB-KRWDZBQOSA-N 419.506 4.314 0 1 HIAF biogenic O=C(N/C=C/c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2c(O)cccc12 13408998 WFDOQUFBNGUZFQ-VOTSOKGWSA-N 424.254 4.087 0 1 HIAF CCCCc1nc(CCCC)n(Cc2ccc(-c3cnccc3-c3nnn[nH]3)cc2)n1 13560872 XTRCXHPTYDLVKH-UHFFFAOYSA-N 416.533 4.254 0 1 HIAF COCO[C@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 13643519 ASVJPCQXPWNHDI-KJJMTIBFSA-N 403.469 4.295 0 1 HIAF C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](OC(=O)C(C)C)[C@@H]1[C@H]2OC(=O)CC(C)C 14407430 GCXCMYAMTCXPDI-UCPOSLAXSA-N 420.546 4.068 0 1 HIAF biogenic COc1c(O)c(CC=C(C)C)c2occ(-c3ccc4c(c3)OCO4)c(=O)c2c1OC 14648452 DVGPZIMBJLTERM-UHFFFAOYSA-N 410.422 4.420 0 1 HIAF biogenic Fc1ccc(-c2[nH]c(C3CCN(C[C@@H]4CNCCO4)CC3)cc2-c2ccncc2)cc1 29126004 DDEFZRNYGREUAG-QFIPXVFZSA-N 420.532 4.051 0 1 HIAF COc1ccc(NC(=O)CCNc2cc(C)nc(NCc3cccc(C)c3)n2)cc1 45189495 HLPBHLRZBKTUDP-UHFFFAOYSA-N 405.502 4.155 0 1 HIAF CCCNC(=O)c1ccc(C)c(Nc2nncc3c2cnn3-c2ccc(F)cc2F)c1 49068464 SANKPJIOQDONGS-UHFFFAOYSA-N 422.439 4.286 0 1 HIAF NC(=O)c1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nc1 72179336 GVYBWQGKIRDYEM-UHFFFAOYSA-N 414.292 4.127 0 1 HIAF O=C(NC1CCCCCC1)c1cn2c3c(cccc3c1=O)OC[C@@H]2c1ccccc1 95555329 SPCANSRMNWNAPX-OAQYLSRUSA-N 402.494 4.436 0 1 HIAF O=C([C@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@@H]1c1cccc(F)c1 95562038 OXPBOTODAMHWNT-NFBKMPQASA-N 402.425 4.343 0 1 HIAF CCCCOc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O 95582090 CDEQBQBLYAVJJW-RBUKOAKNSA-N 414.498 4.163 0 1 HIAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cccc(-c3ccccc3)c2)c1 114079530 HIHNCZYPMFGJEZ-UHFFFAOYSA-N 411.509 4.122 0 1 HIAF COC(=O)c1cnc(OCc2c(-c3ccccc3)noc2C)c(Br)c1 143286791 WNWQPLIGYGALGJ-UHFFFAOYSA-N 403.232 4.173 0 1 HIAF COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3cccc(F)c3)[C@@H]21 169303869 HWNRGGCGQHBPEW-OAQYLSRUSA-N 404.397 4.162 0 1 HIAF CNC1=NC(=O)[C@@H]([C@@H](C)c2cn(C(=O)OCc3ccccc3)c3ccccc23)S1 169319774 WSWBEISKHBBOKF-IFXJQAMLSA-N 407.495 4.147 0 1 HIAF COC(=O)[C@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 169355645 FNAOGECRNHWQIQ-TUFLPTIASA-N 401.453 4.095 0 1 HIAF COc1cc(F)ccc1-c1cncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)c1 261154860 PSAAVWOFDURWSU-FQEVSTJZSA-N 408.429 4.151 0 1 HIAF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 586954605 KZHNYKKQPAMGGI-UHFFFAOYSA-N 409.486 4.424 0 1 HIAF Cc1ccc2c(ccc3nc(-c4cc(S(=O)(=O)N5CCC5)ccc4Cl)[nH]c32)n1 586955140 KRVFHFKSVCOTPP-UHFFFAOYSA-N 412.902 4.134 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(Br)ccnc2[nH]1 587043826 VRCYIDVENLZDAQ-NSHDSACASA-N 409.696 4.029 0 1 HIAF Cc1csc([C@](O)(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)C(F)(F)F)n1 587094352 QBGDEYXNYRDIPF-CYBMUJFWSA-N 411.327 4.219 0 1 HIAF O=CNc1ccccc1-c1nc2cccc3c2c(c1CC(=O)O)-c1ccccc1C3=O 587104536 RIOMTJVGBBRXFF-UHFFFAOYSA-N 408.413 4.309 0 1 HIAF COc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2n1 587120188 BTHXIVIPCKJERB-UHFFFAOYSA-N 410.359 4.362 0 1 HIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc2N1 587126529 YCZVKQGRICVDMC-BJOHPYRUSA-N 405.359 4.059 0 1 HIAF Cc1c(Br)cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c1C 587226166 WEBSYLOOHHEUOG-CYBMUJFWSA-N 402.292 4.026 0 1 HIAF CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(Cl)c21 587326915 DLGNAJDSNSGZCW-XXBNENTESA-N 423.827 4.416 0 1 HIAF O=C1CC2(C[C@H]3COC[C@@H](C2)N3Cc2ccccc2)Oc2c1ccc1c2CCCC1 587519257 XAOXBPYPSFKYPQ-CPLAMXDQSA-N 403.522 4.333 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567149 FJFVMQPPWGFFFV-QPPBQGQZSA-N 422.408 4.038 0 1 HIAF O=C(O)c1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589317 NZPWZWOUZFGGOS-AVRDEDQJSA-N 401.374 4.275 0 1 HIAF CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622315 JMHGFVSVLABIBA-UHFFFAOYSA-N 408.252 4.016 0 1 HIAF CCOc1ccc(-c2nn(-c3nnc(C)s3)c(=O)c3ccccc23)cc1OCC 587671084 PKUQFGHKQMDOOT-UHFFFAOYSA-N 408.483 4.010 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2nccn2C)N1 587729051 GMRRQTNPHNIXNG-MPBGBICISA-N 418.285 4.287 0 1 HIAF Cc1nn(-c2ccncc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587764221 PDQTUDURXOZGLB-WLRWDXFRSA-N 401.283 4.101 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ncon3)cc2)N1 587799467 ZMMJUENCOTTWSO-WLRWDXFRSA-N 418.266 4.174 0 1 HIAF COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587806801 JMEBODKFHABRJB-ODXCJYRJSA-N 422.294 4.239 0 1 HIAF CCOC(=O)CCC[C@@]1(c2cc(C)c(OC)c(C)c2)NCCc2nc3ccccn3c21 962981034 CRSXWWCONHFXGT-VWLOTQADSA-N 421.541 4.082 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc1 1772573307 VTDYYNZUXKTLJK-VBKZILBWSA-N 408.420 4.440 0 1 HIAF CNCc1cc(-c2ccccc2C(F)(F)F)n(S(=O)(=O)c2ccc(C)cc2)c1 1772598854 JFGVUNUNSPIGOC-UHFFFAOYSA-N 408.445 4.439 0 1 HIAF O[C@@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@H]1CNCc1c[nH]c2ccccc12 2356299807 OMJJSVBAGHRXAL-ZWSUVBHBSA-N 417.509 4.064 0 1 HIAF CCC[C@@H]1CC[C@@H]2[C@H](CC[C@H](O)[C@@H]2CCCC[C@@H]2CC[C@@H]3[C@H](CC[C@@H](O)[C@@H]3C)N2)N1 2356871579 YCENIDWJQBLCPN-FITZCLGCSA-N 420.682 4.382 0 1 HIAF Cc1c(C(=O)NC2CCCC2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12 2459755 KARLNXZLAPSNMC-UHFFFAOYSA-N 418.559 4.367 0 1 HIAF COc1cccc2c1C(c1ccccc1)=NC[C@H](CCNC(=O)c1cccs1)N2C 13525953 VJLJZUZTFVRPGO-SFHVURJKSA-N 419.550 4.233 0 1 HIAF CN(c1ccc(Sc2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1)S(C)(=O)=O 13743610 HUDZAVXKZARLKW-GOSISDBHSA-N 413.586 4.293 0 1 HIAF COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2CC2CCCC2)cc1 13761529 CTANMDRPZQDKDO-XMMPIXPASA-N 408.450 4.160 0 1 HIAF Cc1ccc(CCN2C(=O)COc3ccc(/C=C4\SC(=S)N=C4O)cc32)cc1 28883366 WBKNJNSJKXANLP-WQRHYEAKSA-N 410.520 4.292 0 1 HIAF CC[C@H](CN(C)C)c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 40974448 GEIXBGVNHOPPCT-OAHLLOKOSA-N 404.493 4.235 0 1 HIAF NC(=O)c1ccc(-c2cn(-c3ccc4c(c3)OCO4)c(-c3ccccc3F)n2)cc1 42989892 ZSHXYVFDGGXRHV-UHFFFAOYSA-N 401.397 4.173 0 1 HIAF OCCOc1ccc([C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1 49113423 ZWJVWQRDPFBRFW-RUZDIDTESA-N 418.445 4.296 0 1 HIAF O=C(O)CCC(=O)N[C@@H](CC(=O)O)Cc1ccc(-c2cc(Cl)ccc2Cl)cc1 68247605 MJKKFEICTFYNSL-OAHLLOKOSA-N 424.280 4.027 0 1 HIAF O=C(NCCc1cccc(F)c1)c1cnc(NCC2CC2)nc1-c1ccccc1F 82152191 PTPZKGHUTDHEMT-UHFFFAOYSA-N 408.452 4.216 0 1 HIAF CNC(=O)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 95785471 NAXOBJLZBUHOSE-VGSWGCGISA-N 409.507 4.070 0 1 HIAF CN1CCN(c2ccc(Nc3ncc4ccn([C@@H]5C[C@@H]6CC[C@@H]5C6)c4n3)cc2)CC1 100389220 ACDIRSKTMRLXAX-JBYIUTFZSA-N 402.546 4.288 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(C(F)(F)F)ccc3F)C2)cc1 169709221 OYCBAGWDLRVDOI-BLLLJJGKSA-N 411.399 4.094 0 1 HIAF Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC3CC3)[nH]2)nc1 218559773 FSWOOQGWZRWIBQ-UHFFFAOYSA-N 406.486 4.284 0 1 HIAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC[C@H]4c4cccnc4)[C@H]3[C@@H]3O[C@@]132 299877124 GTMDREKJKNESRU-GBLPAZCZSA-N 410.558 4.134 0 1 HIAF O=C(c1ccccc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 473089996 UIBDEIGYCMBVOR-UHFFFAOYSA-N 405.889 4.235 0 1 HIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Br)ncc3[nH]2)c1 586915588 OLAPUHUCQSQSLC-UHFFFAOYSA-N 410.227 4.489 0 1 HIAF Cc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1C 586946481 QTVTXQOUMRKXAW-UHFFFAOYSA-N 403.554 4.448 0 1 HIAF Cc1ccc(-n2ccnc2SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C)c1 586966097 DVKSMGFZPBEPND-UHFFFAOYSA-N 404.421 4.418 0 1 HIAF Cc1nc(Br)sc1-c1nc2cccc(I)c2[nH]1 587012299 VWCIWDJRTCNPBP-UHFFFAOYSA-N 420.073 4.362 0 1 HIAF Nc1cc2[nH]c(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc2cn1 587031557 STQMKISOYGEXII-UHFFFAOYSA-N 409.902 4.663 0 1 HIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(S)nc(S)nc2[nH]1 587035047 NALAYDRZEBFDGR-SNVBAGLBSA-N 415.569 4.416 0 1 HIAF Clc1cccc(-c2cc(-c3nc4ncc(I)cc4[nH]3)n[nH]2)c1 587068280 OTZJVJGRQIGGKR-UHFFFAOYSA-N 421.629 4.273 0 1 HIAF Oc1nc(S)nc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159434 PTLYQTOKERWIMX-CQSZACIVSA-N 402.838 4.308 0 1 HIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 587329295 DMEOQRINCWYJFJ-DENIHFKCSA-N 414.335 4.149 0 1 HIAF Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602971 KGOMCMVIILTMMH-ZJSXRUAMSA-N 404.418 4.423 0 1 HIAF Cc1nn(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Br 587681225 RFBHYXMRZQYPBH-NXSYQRQQSA-N 417.120 4.016 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587723433 WXDKHBYGXFIDCW-ZYCAIKTBSA-N 416.306 4.409 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(C(=O)OC(C)(C)C)c2)N1 587762133 XGHOXNVFYZCPOS-MGPLVRAMSA-N 410.287 4.192 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c3nc(O)ccc23)N1 587779043 PUDLJSIWMHSQCQ-SBKAZYGRSA-N 417.278 4.345 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2c[nH]c3ccccc23)(C(=O)O)N1 587808362 YYSNLGIKFIIGCR-PRWKNARSSA-N 417.278 4.126 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Br)n2)N1 587853089 OUXLFDSSHZPISL-QTTZVWFDSA-N 406.118 4.431 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCSCC3)nc2)N1 587858227 ZNFTVKXYTVQNDT-HXPMCKFVSA-N 422.367 4.160 0 1 HIAF C[C@@H](c1cccc(C(F)(F)F)c1)n1cc(C(=O)Nc2nn[nH]n2)c2ccccc21 621485745 JEZUPFMNXKCICK-NSHDSACASA-N 400.364 4.035 0 1 HIAF COC[C@@H](C)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2c1OCCO2 653878504 QXBBWXNHVHJSBC-LLVKDONJSA-N 419.840 4.351 0 1 HIAF CCOC(=O)C[C@]1(CC(F)(F)F)c2ccsc2CCN1Cc1cccn1C 962400218 SZGOIRYTTKDSDR-SFHVURJKSA-N 400.466 4.246 0 1 HIAF CCOC(=O)CCC[C@@]1(c2ccc(C)c(C)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903214 WJWIACCIBMKVGK-URXFXBBRSA-N 413.489 4.018 0 1 HIAF O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21c2c(F)cccc2C[C@H]2CCCN21 963105371 MEBBRSGVMVTGTE-QUGAMOGWSA-N 413.448 4.381 0 1 HIAF COc1ccc2c(c1OC)[C@](C)(c1ccc(C)c(F)c1F)NCC21CCOCC1 963192212 QIWZSYNOCKTXBR-QFIPXVFZSA-N 403.469 4.205 0 1 HIAF Cc1ccccc1[C@]1(CCCCC(=O)O)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228598 SUXRPBJQDBOJOY-DHLKQENFSA-N 418.493 4.031 0 1 HIAF CC[C@@]1(c2ccc(Br)cc2Cl)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963509365 MMLDFZKYKMFOPU-KXBFYZLASA-N 424.722 4.369 0 1 HIAF CCC/C=C/C[C@@H]1C[C@@H]2/C=C/C(C)=C/[C@H]3C=C[C@@H](O)[C@@H](O)[C@@H]3/C(C)=C/C=C/[C@H]2C(=O)N1 1772575067 FNHBTFMUTRPDSA-CAZALVFNSA-N 423.597 4.396 0 1 HIAF COc1ccc2nc(C[C@H]3CN(CCCc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356500441 VUJWTLHRBCAGQG-UXHICEINSA-N 421.541 4.160 0 1 HIAF Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@@H](C(=O)NCc2ccco2)C1 4119088 OSLVOFCPZSIWRL-QGZVFWFLSA-N 413.905 4.425 0 3 HIAF Cc1ccc(OCc2cc(C(=O)N(C)CCc3nc4ccccc4[nH]3)no2)cc1C 11935938 KURDSZWRUWURMA-UHFFFAOYSA-N 404.470 4.061 0 3 HIAF COc1ccc(CCNC(=O)Nc2nc([C@H](N)C3CCCCC3)cs2)cc1OC 61907120 MVIDOMMBFZWZFM-LJQANCHMSA-N 418.563 4.105 0 3 HIAF CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)c2)CC1 598896 RTJRXNDVJCWGSK-UHFFFAOYSA-N 421.585 4.309 0 1 HIAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 768745 HSPZVPFUXRJCRH-JTZSMWBOSA-N 406.935 4.017 0 1 HIAF C[C@@H]([C@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 3955311 NPSKYYXPZPRNAM-NYHFZMIOSA-N 418.472 4.019 0 1 HIAF COc1ccc(CC2=C(c3ccc(C)cc3)C(=O)O[C@@]2(O)c2ccc(OC)cc2)cc1 13740970 OKZRQVZTVLKRLK-SANMLTNESA-N 416.473 4.411 0 1 HIAF N=C(N)c1cccc(Oc2ccc(C(F)(F)F)c(Oc3cccc(C(=N)N)c3)n2)c1 13797415 KZMJCQZBMNVBKC-UHFFFAOYSA-N 415.375 4.253 0 1 HIAF CC(C)(C[C@@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1ccccc1O 34633684 KJOQLFMPAVEWLJ-OAQYLSRUSA-N 405.416 4.368 0 1 HIAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@@H]3CC[C@]12C 34801308 SLZJMEMEWDUTRZ-PLYZVZFYSA-N 403.611 4.127 0 1 HIAF CN1CCc2cc(I)c(O)cc2[C@@H]1Cc1ccccc1Cl 45167617 UROKNISEDPCCGO-INIZCTEOSA-N 413.686 4.422 0 1 HIAF COc1cc(O)ccc1-c1oc2cc(OC)c(CCC(C)(C)O)c(O)c2c1C=O 45299887 DVCUSBGWKAJHOB-UHFFFAOYSA-N 400.427 4.044 0 1 HIAF biogenic CSc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCNC5)c(=O)c2)cc1 64549649 SBWUUSRSPNPECV-UHFFFAOYSA-N 401.535 4.364 0 1 HIAF Cc1cccc2ccc(N3CCC(Oc4nccnc4C4CCOCC4)CC3)nc12 96169019 BPKKIUBMUXPHAY-UHFFFAOYSA-N 404.514 4.275 0 1 HIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4c3ccc(F)c4F)cc21 143545587 KOCPFSQCQRCEIE-MRXNPFEDSA-N 415.440 4.298 0 1 HIAF Cn1cc(-c2cc(-c3cnn(C)c3)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144897131 XWKYSUQTRLVMPH-OAQYLSRUSA-N 410.399 4.266 0 1 HIAF O=C(COCc1ccccc1)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167075611 AMDHDHAUDMRUQH-UHFFFAOYSA-N 401.466 4.390 0 1 HIAF Cc1nc(C#N)c(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)[nH]1 219051432 IIULFQXJTNDQGP-UHFFFAOYSA-N 409.493 4.457 0 1 HIAF COc1ccccc1N1CCN(CCCCCCCn2c(=O)oc3ccccc32)CC1 299822668 BUFSWARQMWJYDX-UHFFFAOYSA-N 423.557 4.376 0 1 HIAF O=C(O)c1cnc(NCc2ccc(-c3ccccc3)cc2)n2nc(-c3ccco3)nc12 299834049 RDCDEVVTNGEMML-UHFFFAOYSA-N 411.421 4.362 0 1 HIAF COc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1F 587001350 NODAOOKMDBCNIE-IHWYPQMZSA-N 405.223 4.415 0 1 HIAF O=C(Nc1nc(Cc2nc3c(Br)ccnc3[nH]2)cs1)c1cccs1 587019936 SUTSQIJKONKFKF-UHFFFAOYSA-N 420.317 4.082 0 1 HIAF FC(F)(F)c1ncc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2n1 587081294 MTIBRWFGKIMVER-UHFFFAOYSA-N 415.766 4.402 0 1 HIAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(C(F)(F)F)cc4[nH]3)n2)cc1 587111208 BXBOOSAKUUMOST-UHFFFAOYSA-N 412.297 4.302 0 1 HIAF COc1cccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587169894 FCROCELHQVLQKH-UHFFFAOYSA-N 403.460 4.240 0 1 HIAF COc1cc2c3c(c1)O[C@@](CC(C)(C)C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419156 CTLJPWKJMYHQJK-AOMKIAJQSA-N 400.858 4.492 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(OC(F)(F)F)cc21 587464575 SZPYJBKTZOGSBR-LJQANCHMSA-N 407.344 4.056 0 1 HIAF CN(C)CCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587572443 PMFDMTQQXIBCTD-RCZVLFRGSA-N 419.477 4.426 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)c(Br)c2)N1 587675919 BLNCZDDBTQISDE-NXSYQRQQSA-N 416.088 4.075 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(c2nccn2C)N1 587731786 ZXNMFRQLQJNFBZ-ODXCJYRJSA-N 418.285 4.287 0 1 HIAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc(OCC(=O)O)c(Cl)c1 962373534 MUTHJAUEYDYWGH-NRFANRHFSA-N 416.930 4.351 0 1 HIAF Cc1c([C@@H]2NCCc3c(C(=O)O)cccc32)c(C)n(-c2ccc(N(C)C)cc2)c1C 963133783 SOHBFOAQZRTRNT-XMMPIXPASA-N 403.526 4.402 0 1 HIAF C[C@H](C[C@@]1(c2ccccc2F)c2cccc(Br)c2CCN1C)C(=O)O 963282809 XVPMCNQOOLJHTA-XCLFUZPHSA-N 406.295 4.431 0 1 HIAF O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(Br)cc1 1772593999 AJXVFQLQMBHGDA-UHFFFAOYSA-N 420.266 4.210 0 1 HIAF 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]4C[C@@H](O)[C@]23C)O[C@]12CCCCO2 2356663454 HFWFMXHILGQMNK-NRSJCYROSA-N 416.602 4.439 0 1 HIAF CCOC(=O)[C@H](CCSC)Nc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1 12477047 QJDAZWYWZZCXHN-LBPRGKRZSA-N 416.334 4.019 0 3 HIAF CC(C)c1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cc1 61908774 DSXOENSQIPRDJL-RUZDIDTESA-N 415.493 4.303 0 3 HIAF CN(C)C(=O)Oc1cccnc1COC(=O)C(C)(c1ccccc1)c1ccccc1 13472429 HZBZOQXOPJJRLQ-UHFFFAOYSA-N 404.466 4.191 0 1 HIAF COc1ccc([C@H]2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 13977838 MPCUXOCFSYGKRJ-OAQYLSRUSA-N 412.505 4.220 0 1 HIAF COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C(=O)[C@H](C)[C@H](C)C2 15270814 GWGFXKOBEDDHFA-VXGBXAGGSA-N 416.470 4.113 0 1 HIAF biogenic CC1=C2CC[C@H]3[C@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)Cc2cn(S(C)(=O)=O)nc21 26181633 ZAKWQKHIANOUEX-QIRVBROGSA-N 418.603 4.014 0 1 HIAF N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(F)c(Cl)c1)C(=O)O 27103342 XIKRXMZIKQWASH-LEHPZIBWSA-N 403.818 4.473 0 1 HIAF O[C@H]1CCCN(CCCNc2nc(Nc3ccc(Cl)cc3)nc3ccccc23)C1 29202966 FLQKJWLGUKSPQC-SFHVURJKSA-N 411.937 4.286 0 1 HIAF CCN1[C@H](c2ccccc2)CC[C@@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC 58486042 ZPMWZLMGOHDQOI-UZLBHIALSA-N 401.938 4.346 0 1 HIAF COc1cc2ccnc(Cc3ccc(OCCOCCF)c(OC)c3)c2cc1OC 72105238 MBMPWSYMFRBNMN-UHFFFAOYSA-N 415.461 4.216 0 1 HIAF COc1cc2nc(N3CCC(C)CC3)nc(NCCc3ccc(O)cc3)c2cc1OC 82127652 IGNPVDIJFJUDPA-UHFFFAOYSA-N 422.529 4.244 0 1 HIAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 95877062 XNACUZIZQDXWGE-ONCWCYFQSA-N 423.532 4.315 0 1 HIAF Cc1sc(Nc2ccc3c(c2)OCO3)nc1C(=O)N1CCc2ncccc2[C@@H]1C 96283019 XCECBBSCBREWRA-LBPRGKRZSA-N 408.483 4.078 0 1 HIAF CCCCNCCOc1ccc2c(c1)C(=O)c1cc(OCCNCCCC)ccc1-2 96927418 XXTPYFAIKLBTJB-UHFFFAOYSA-N 410.558 4.435 0 1 HIAF COc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cn1 118600199 LDISUDCYHFQZJV-LJQANCHMSA-N 409.511 4.346 0 1 HIAF Cc1cc([C@H](N)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144275538 JTMLSGGBBKYZLY-ALKREAHSSA-N 418.394 4.464 0 1 HIAF COc1ncccc1-c1nccnc1O[C@H]1C[C@H](Nc2nc3ccccc3s2)C1 145920354 WCSLYKOOJMKRBI-OKILXGFUSA-N 405.483 4.179 0 1 HIAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@@H]4CCCOC4)n3)c(Cl)cn2)CC1 169703729 XJYNNRFFUUQEFR-YESZJQIVSA-N 416.953 4.351 0 1 HIAF COC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c1c(O)n(-c1ccc(Cl)c(Cl)c1)c2O 169717953 GEMYJIADYZLHLI-DLBZAZTESA-N 419.264 4.102 0 1 HIAF c1ccc(-c2csc3nc(N4CC[C@H](COCCN5CCCC5)C4)ncc23)cc1 223004037 CZNNDLSLLFHWNB-SFHVURJKSA-N 408.571 4.297 0 1 HIAF COc1ccccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](NC(=O)SC)CC1 253637209 ZYFFPUYDMLLXMK-QRTMHTFLSA-N 412.555 4.378 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4cc(Cl)ccn4)ncc23)ccn1 261099880 GCDYNWNEDLZHGO-GFCCVEGCSA-N 407.865 4.259 0 1 HIAF O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 261180918 WBFFBCACAZRULE-DVECYGJZSA-N 406.489 4.258 0 1 HIAF COC(=O)CC/C=C/CC[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/C[C@](C)(O)/C=C/C1=CCCC1 261193334 ZZVPHCPLTZTOBC-WOJOYLLGSA-N 416.558 4.206 0 1 HIAF in-vitro O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1)N1CCC1 586956214 ZSGPRRFFOHRQEF-UHFFFAOYSA-N 415.824 4.297 0 1 HIAF Cc1cnc(Cl)c2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc12 586959210 JQRRIRRIWHUCBD-HSZRJFAPSA-N 412.740 4.423 0 1 HIAF O=C(O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985881 STBFWDRFZSCNNK-QGZVFWFLSA-N 400.276 4.209 0 1 HIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cs1 587019666 SWCQCEBSVKEFTP-UHFFFAOYSA-N 419.392 4.015 0 1 HIAF Nc1ncc(-c2nc3c(F)cnc(Br)c3[nH]2)c(-c2ccccc2Cl)n1 587061238 SESRZEFMOAQQKB-UHFFFAOYSA-N 419.645 4.219 0 1 HIAF Cc1csc([C@](O)(Cc2nc3cc(F)cc(Br)c3[nH]2)C(F)(F)F)n1 587094306 PEBLMVDWFKRCOR-CYBMUJFWSA-N 424.217 4.222 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OC[C@@H]1CCCO1)[C@@H](C2)C3=O 587420719 QYYZMQKQWAHHEY-ICSGCJEQSA-N 400.858 4.395 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587423177 RZFABCHSYUOVCQ-MGPUTAFESA-N 421.371 4.129 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1cccc(Br)c1)CC2=O 587457994 OZSNODVXQQBHAA-HXUWFJFHSA-N 419.271 4.141 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1c[nH]c(C(=O)O)c1)CC2=O 587484327 NSTPZIDMLQKZQR-XMMPIXPASA-N 405.450 4.474 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC2CCOCC2)nc1 587588975 SPWVCZCMEXSWJB-XUZZJYLKSA-N 419.433 4.048 0 1 HIAF COc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595031 MGYFOKHCVQVCRT-RDPSFJRHSA-N 414.417 4.494 0 1 HIAF Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587612990 MABOPCMEVMTATE-KNQAVFIVSA-N 410.447 4.484 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(F)cc2)N1 587728951 GEXOVPPHINDMNB-WLRWDXFRSA-N 410.258 4.370 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC3CCOCC3)nc2)N1 587772097 NMGLFRODVSTEFV-MPBGBICISA-N 421.310 4.165 0 1 HIAF CCN(c1ccc(-c2csc([C@@H](C)Cn3cc(Cl)cn3)n2)cc1)S(C)(=O)=O 587922838 GUYGJAFEKKYQLN-ZDUSSCGKSA-N 424.979 4.250 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(C1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962701260 JVDZZDXQDRSYFS-MCFFVMPBSA-N 406.567 4.462 0 1 HIAF Cc1cc2c(cc1O)[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)N[C@H](C(=O)O)C2 963550070 KBHYVGVHZYRFME-HOCLYGCPSA-N 419.321 4.427 0 1 HIAF Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)NC(C)(C)C)CC3)c2C)c1 1772579715 CVCMYTRXKNWVFQ-UHFFFAOYSA-N 422.573 4.077 0 1 HIAF O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCCOc2ccc(F)cc21 1772629303 VZSXWVMBGHJBET-UHFFFAOYSA-N 414.458 4.336 0 1 HIAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5ccc(Cl)cc5)cc4)c12)CCC3 1857553697 GIPUWLAVXNUVMY-UHFFFAOYSA-N 417.900 4.156 0 1 HIAF COc1ccc([C@](C)(O)c2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1 1911576130 PDUPEAHMYSVPER-DEOSSOPVSA-N 400.434 4.290 0 1 HIAF CC1=C[C@H](CNC(=O)COc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356319680 XFSWKPIPMAOXBR-XJUOHMSHSA-N 412.574 4.049 0 1 HIAF COc1ccc(-c2nc3n(n2)[C@H](c2ccccc2)[C@@H]2C(=O)CCCC2=N3)cc1OC 6498247 MEJJMRUDKSLDOY-LEWJYISDSA-N 402.454 4.007 0 1 HIAF CNc1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1 14969496 LRJGICFBUGSISP-UHFFFAOYSA-N 416.403 4.144 0 1 HIAF NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1 26495168 NCCVKLHAWCZIET-DEOSSOPVSA-N 421.516 4.289 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)C 28232055 LZAGACLXEGUEOT-UHFFFAOYSA-N 410.345 4.225 0 1 HIAF COc1ccc([C@H]2CC(=O)N(c3ccc([S@@](C)=O)cc3)C2)cc1OC1CCCC1 34820590 SLQGHFMGFHMPMA-ADKRDUOOSA-N 413.539 4.275 0 1 HIAF Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ccc4ccccc4c3)CC2)c1 40892207 HUCGJYGDVDVDCC-UHFFFAOYSA-N 411.509 4.081 0 1 HIAF COc1ccc(-n2nc(C)cc2C(=O)NCc2ccc(-c3c(C)noc3C)cc2)cc1 45335125 RHFBASAZVBHFGA-UHFFFAOYSA-N 416.481 4.391 0 1 HIAF CCCOc1cccc2c1OC[C@@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)C2 49113891 PEGKCAVIYOLXEP-INIZCTEOSA-N 401.470 4.110 0 1 HIAF CC(C)(C)[C@H](N)C(=O)N[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 61946793 DKQUQODYLFKBLG-WPQCZMLFSA-N 402.623 4.168 0 1 HIAF O=C(NCC1CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069301 SDFPSNBKAHZHCU-LJQANCHMSA-N 411.571 4.359 0 1 HIAF COc1cc2nc(NCC3CCCCC3)nc(NC[C@H]3CCCO3)c2cc1OC 82125207 GYRFBUJYMMPMJE-MRXNPFEDSA-N 400.523 4.230 0 1 HIAF COc1cc2nc(NCCCCCO)nc(NCCCc3ccccc3)c2cc1OC 82131349 WMNHOALBEMFCLD-UHFFFAOYSA-N 424.545 4.266 0 1 HIAF COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 95894452 FCPFORCSARIMBM-GPXNEJASSA-N 421.541 4.066 0 1 HIAF Cc1cc([C@H]2[C@@H](c3ccc(I)cc3)C[C@H]3CC[C@H]2N3C)on1 100773673 BWXFANYCYSQZCJ-KONPQCLYSA-N 408.283 4.322 0 1 HIAF COc1ccc([C@H]2CC3=Nc4ccc(F)cc4S(=O)(=O)C3=C(O)C2)cc1OC 100796299 KFCYRYCJLCEYAJ-LBPRGKRZSA-N 403.431 4.050 0 1 HIAF O=C(O)[C@@H]1CCN(c2ccc(C[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)C1=O 101503366 NPWDCPUYWLSXFG-DHIUTWEWSA-N 413.473 4.333 0 1 HIAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC(F)(F)CC2)cn1 141870081 BXGCHUBYXYXAEL-UHFFFAOYSA-N 413.424 4.495 0 1 HIAF CN1Cc2ccc(NC(=O)N[C@@H]3CCc4cc(C(F)(F)F)ccc43)cc2NC1=O 145706448 HBEMOAOPEJBBLH-MRXNPFEDSA-N 404.392 4.492 0 1 HIAF O[C@@H]1CCN(CC2CCN(c3ncnc4scc(C5CCCCC5)c34)CC2)C1 146420464 CCULIGYIRNPDTK-GOSISDBHSA-N 400.592 4.022 0 1 HIAF C[C@@H](Cc1ccco1)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166687601 LVPOQJXWDIWWGG-HNNXBMFYSA-N 407.445 4.327 0 1 HIAF Cc1ccnc([C@@H](O)C(F)(F)F)c1-c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1 169700135 XONWSRGXWACTJV-YZVOILCLSA-N 419.378 4.497 0 1 HIAF Cc1cc(C2CC2)c([C@](N)(c2nc3ncc(C#N)cc3[nH]2)C(F)(F)F)c2cc[nH]c12 219493497 CEXZKNPZBJGBDS-FQEVSTJZSA-N 410.403 4.261 0 1 HIAF COc1ccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)c(C)c1 219746826 SWLQJMYDWWSEOR-QHCPKHFHSA-N 403.522 4.469 0 1 HIAF O=C(O)C[C@H]1NCCc2c1[nH]c1ccc(OCc3cccc(C(F)(F)F)c3)cc21 299871090 XRUFRVIPMKVXLM-GOSISDBHSA-N 404.388 4.427 0 1 HIAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)o1 586923788 VUHHBNQEELSCFR-UHFFFAOYSA-N 418.478 4.302 0 1 HIAF COc1cc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc(Cl)c1OCC(C)C 587045871 HQICLFOGUBOSGK-UHFFFAOYSA-N 408.907 4.330 0 1 HIAF Nc1ccc(-c2nc3ccc(I)cc3[nH]2)c(C(F)(F)F)c1 587095616 NCGLJZYPMSPOCF-UHFFFAOYSA-N 403.145 4.436 0 1 HIAF COc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(I)c1 587180498 SARNGEPGDREHRU-UHFFFAOYSA-N 422.119 4.400 0 1 HIAF CN(CCc1nc2ccnc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193966 KGOMXDVYMBBSFJ-UHFFFAOYSA-N 414.465 4.087 0 1 HIAF Nc1cnc(-c2nc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)cccc3[nH]2)nc1 587252272 BOOWXFLZGJPLEH-UHFFFAOYSA-N 416.338 4.012 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)c(F)c1)(c1ccccc1C(=O)O)O2 587385898 QVIYPPSXYVJMIL-HSZRJFAPSA-N 409.388 4.463 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587435553 GHZHNOCKSVPUIE-KKFFFLSNSA-N 413.514 4.381 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(COc1ccc4c(C)c(C)c(=O)oc4c1C)[C@@H](C2)C3=O 587451611 IODNAWXHLJGVMR-AVRWGWEMSA-N 420.461 4.312 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)OC=C1OCc1ccccc1)CC2=O 587479915 KBYYXDMWEFGTKK-XMMPIXPASA-N 422.433 4.106 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(/C=C/C(=O)O)=COc2cc(C)ccc21 587494501 YNNKABAEDGJPGQ-VXFXUCHBSA-N 406.434 4.431 0 1 HIAF Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nn2)cc1 587760931 RFZOURVZPMKXGT-RBZFPXEDSA-N 415.310 4.160 0 1 HIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587787383 VDXGNEGDWDUJEG-QWRGUYRKSA-N 406.667 4.317 0 1 HIAF CNc1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(C)n1 653662272 JNGRLPFNEIFOTG-AWEZNQCLSA-N 403.482 4.491 0 1 HIAF C[C@H](c1ccccc1)N1CC2(CC2)[C@@]2(C1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962728703 FPZRVUHJTGDHBI-LQNXUBFPSA-N 414.471 4.385 0 1 HIAF COc1cccc2cc3c(nc12)[C@@]1(CCCC2(OCCO2)c2ccccc21)NCC3 963055629 KDDWAYUBBIDKSN-DEOSSOPVSA-N 402.494 4.016 0 1 HIAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@@H]2c1cccnc1 1772585356 YONWPMMALYVGQI-HXUWFJFHSA-N 411.465 4.241 0 1 HIAF CN(C)CCOc1ccc(C(=O)Nc2n[nH]c3cc(-c4ccc(O)cc4)ccc23)cc1 1772612773 ALYOCGXDDLILJP-UHFFFAOYSA-N 416.481 4.128 0 1 HIAF CN1C(=O)S/C(=C\c2cc(OCc3ccccc3)c(O)cc2Br)C1=O 1857571162 GHPXBLXQBQLGOK-PXNMLYILSA-N 420.284 4.400 0 1 HIAF CC(=O)c1ccc(-c2c[nH]c3ncc(/C=C/C(=O)NCCc4ccccn4)cc23)cc1 1857581092 MGDDROFJVOHQDE-BJMVGYQFSA-N 410.477 4.200 0 1 HIAF COc1ccc2c(c1)CC[C@@H](C[C@H]1C=CN(Cc3ccccc3C)C=C1C(N)=O)C2=O 1857633346 TUALDOHFKJXKNG-UXHICEINSA-N 416.521 4.154 0 1 HIAF CC=C(C)[C@@H]1C(C)=C[C@@H]2CC[C@H](OS(=O)(=O)O)[C@H](C)[C@H]2[C@@H]1C=CC=CC(=O)O 2356829467 IYRMAAQKPZZPSB-GIADRTNZSA-N 410.532 4.192 0 1 HIAF COc1cc(Nc2cc3c(cn2)nc(Nc2ccccc2)n3C)cc(OC)c1OC 82082036 NWLISJXICHLQER-UHFFFAOYSA-N 405.458 4.481 0 3 HIAF CS(=O)(=O)n1c(-c2ccc(OCCCN3CCCCC3)cc2)cc2ccccc21 1909647 VFWZPAGPEKHOAE-UHFFFAOYSA-N 412.555 4.371 0 1 HIAF COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC 4053978 YDIADUIWFSNXQL-UPVQGACJSA-N 416.477 4.112 0 1 HIAF CC(=O)Oc1cc2c(cc1OC(C)=O)[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1CC2 5712258 STVSYWGMQNUXIG-JFDOVZFRSA-N 414.498 4.325 0 1 HIAF COc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1OC 28469868 ZXRQMRPQABETJL-UHFFFAOYSA-N 416.481 4.146 0 1 HIAF NC(=O)c1cc(F)c(-c2c(=O)ccn3c(-c4ccc(F)cc4F)cccc23)c(F)c1 34984363 QABNWWXOZYBHJD-UHFFFAOYSA-N 412.342 4.289 0 1 HIAF COc1ccc(-c2nc3ccc(-c4nc5cc(C(=N)N)ccc5[nH]4)cc3[nH]2)cc1OC 45496122 SOALBEFICLSBOB-UHFFFAOYSA-N 412.453 4.074 0 1 HIAF Cn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)Nc3cccnc3)c2)cn1 68267178 VUMUPUNGURLXSH-UHFFFAOYSA-N 402.429 4.453 0 1 HIAF CCCCNCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72180720 MHJGEVBPXABXKI-OAHLLOKOSA-N 423.401 4.285 0 1 HIAF C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 96167879 KBINUWAGFNPHFU-AVRDEDQJSA-N 424.437 4.370 0 1 HIAF CCCC(=O)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 168455065 BTXGCGMTPONHII-VXNCWWDNSA-N 417.347 4.132 0 1 HIAF Cn1ccc2ccc(-c3cccc(OC[C@@H](O)CN4CCc5ccccc5C4)c3)nc21 218394439 LCAFUBIHLJBTGT-QHCPKHFHSA-N 413.521 4.038 0 1 HIAF O=C(N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)N1CCc2ccccc2C1 299833467 YDELSCLWHVEZCX-UHFFFAOYSA-N 406.461 4.233 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2cccc3ccccc23)cc1 299833877 AIVQANJIFCWFLZ-SFHVURJKSA-N 419.428 4.357 0 1 HIAF CCCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 299855036 CPJZBAKYBNKFMF-UHFFFAOYSA-N 403.500 4.422 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(C(C)C)cc1 299877846 HYVOCIKAAIMKKV-KBABAZTHSA-N 408.542 4.425 0 1 HIAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586940838 HOAQGOLUFHYIDA-VOTSOKGWSA-N 413.396 4.120 0 1 HIAF Clc1c(Br)cnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 587041909 PINBJILZGZVQFJ-VXGBXAGGSA-N 409.740 4.320 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc12 587107588 CGWNMQMRPZUOGH-UHFFFAOYSA-N 400.154 4.413 0 1 HIAF N[C@@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1F 587143072 VCJRJGWBBJCUMF-JTQLQIEISA-N 403.177 4.121 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCOc3c2ccc(O)c3F)[C@H]1c1ccc(F)cc1 587329138 CHWXUISCSBWRSM-CVDCTZTESA-N 410.372 4.413 0 1 HIAF O=C(O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 587358939 QUVAGADLDKXNFV-ZJSXRUAMSA-N 418.376 4.147 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1sccc1Br)O2 587411825 WLUVQROENMOGBY-DUMMIQTOSA-N 407.333 4.337 0 1 HIAF COc1cc2c3c(c1)O[C@H](C1CC4(CCN(C(=O)OC(C)(C)C)CC4)C1)[C@@H](C2)C3=O 587441773 HATSUPJJSPLKOC-LAUBAEHRSA-N 413.514 4.239 0 1 HIAF CC[C@@]1(CNC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587757024 UBCAUECBIAKYIV-ZMZPIMSZSA-N 401.320 4.252 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587825946 CLDUTDWODBIFGT-ZRNGKTOUSA-N 408.267 4.302 0 1 HIAF COc1ccc(-c2cc(O)n(-c3cc4cnccc4c(Br)n3)c2O)cc1 587939370 CEKQXEAFDIRFAA-UHFFFAOYSA-N 412.243 4.270 0 1 HIAF C[C@]1(F)CC(F)(F)[C@@](C)(c2cc(NC(=O)c3nc(CF)co3)ccc2F)NC1=N 1772580945 VXSCRCDTZOWMAO-DLBZAZTESA-N 416.350 4.085 0 1 HIAF Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccc4[nH]ncc4c3)c2)n1 1772581204 OWBSTMIZVSYGTH-UHFFFAOYSA-N 419.510 4.280 0 1 HIAF Clc1nc(NCCN2CCOCC2)c2ccn(Cc3cccc4ccccc34)c2n1 1857768060 XPPHAVVRLBOIKL-UHFFFAOYSA-N 421.932 4.030 0 1 HIAF COc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1COc1ccc(NC(C)=O)cc1 13828645 SRDVQKBYLVCEKX-QHCPKHFHSA-N 417.465 4.087 0 3 HIAF C[C@]1(C(=O)NCc2ccncc2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61896041 UAEXNWWRMXMSRU-OAQYLSRUSA-N 413.399 4.172 0 3 HIAF Oc1nc(S)nc2c1[C@H](c1ccc(F)cc1)O[C@H](CCOCc1ccccc1)C2 169304292 SRHCTTFBSSIYQM-XLIONFOSSA-N 412.486 4.248 0 3 HIAF O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4205042 GWFFJEMCQTUROB-IRLDBZIGSA-N 411.933 4.034 0 1 HIAF COc1c2c(c(O)c3ncn(Cc4ccccc4)c13)C(=O)N(Cc1ccc(F)cc1)C2 38629747 MLWJVBCUDAIKNJ-UHFFFAOYSA-N 417.440 4.094 0 1 HIAF CCOCC(=O)COc1cc2oc(C)c(-c3ccc4c(c3)OCO4)c(=O)c2cc1CC 45287523 ANXKXXYCQFKDHX-UHFFFAOYSA-N 424.449 4.044 0 1 HIAF Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccc(-c4ccco4)cc3)nn12 72125775 ORVQXRZLCTXNSP-UHFFFAOYSA-N 421.464 4.226 0 1 HIAF CCCNCc1cncc(-c2cnc3[nH]nc(-c4nc5cc(OC)ccc5[nH]4)c3c2)c1 72178435 ILDINYOBGOUNES-UHFFFAOYSA-N 413.485 4.071 0 1 HIAF CCCC[C@H](CC)CNc1nc(N2CCOCC2)nc2cc(OC)c(OC)cc12 82128478 FACFSFYVJBBJDD-INIZCTEOSA-N 402.539 4.112 0 1 HIAF Cc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CC[C@@H]2CCCN2C)cc1 82179213 JPXIWBVHQYKEIP-FQEVSTJZSA-N 416.529 4.491 0 1 HIAF COCCn1c(CCc2ccccc2)nc2c(NCc3cccc(F)c3)ncnc21 82184554 TZZDMTDRYVHBRZ-UHFFFAOYSA-N 405.477 4.009 0 1 HIAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(-c3ccccc3F)c(=O)c12 88345864 HAUSBEKIYVEYGP-AWEZNQCLSA-N 414.444 4.278 0 1 HIAF COc1ccccc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](OC(=O)NC(C)C)CC1 100764061 LBBIORIJGUPNSP-IHRKKFBRSA-N 424.541 4.440 0 1 HIAF COc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1-n1cnc(C)c1 103294181 FOIFDZUDYRVAKL-UHFFFAOYSA-N 412.298 4.297 0 1 HIAF O=C1CCCCN1CCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144836862 HOAWAVQSYJNAKB-NRFANRHFSA-N 405.416 4.247 0 1 HIAF COc1ccc(C(=O)Nc2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)cc1 164772655 ZEDJDXVYPMACFK-UHFFFAOYSA-N 410.437 4.276 0 1 HIAF N[C@H]1CC[C@H](Nc2nccn3c(-c4cccc(NCc5ccsc5)n4)cnc23)CC1 169701270 OYNWNBXJGFPRIQ-CALCHBBNSA-N 419.558 4.147 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nnc(-c3ccccc3)s2)n1 205145397 DOKKAMWYERTTEW-DZGCQCFKSA-N 410.503 4.149 0 1 HIAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@]23[C@H]4[C@@H]5[C@@H]6[C@@H]7C[C@@H]([C@H]64)[C@@H]2[C@@H]7[C@]52OCCCN23)cc1 253651410 RQXVHLUYOBCSQY-ULVYZWSSSA-N 419.565 4.048 0 1 HIAF CN(Cc1nc2ccccc2n1CC[C@H]1CCCCN1)[C@H]1CCCc2cccnc21 299811512 CEZDJMFFDIZREC-OFNKIYASSA-N 403.574 4.473 0 1 HIAF O=S(=O)(Cc1nc(-c2ccncc2)c2sccc2n1)c1cccc(Cl)c1 299828832 HJGDZJBMOICRRR-UHFFFAOYSA-N 401.900 4.381 0 1 HIAF COc1ccc2nc(C)cc(N3CCC(NC(=O)Nc4ccc(F)cc4)CC3)c2c1 299863329 KYMRNIYNJZWQGC-UHFFFAOYSA-N 408.477 4.481 0 1 HIAF COC(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1OC 586900411 JNLDAPCADKLPDI-UHFFFAOYSA-N 406.394 4.010 0 1 HIAF COc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586961705 SMZDZEHPIUIGJZ-RVHYNSKXSA-N 411.527 4.266 0 1 HIAF Cc1cnc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1 587157257 JPWRSLIPBRUULF-UHFFFAOYSA-N 402.227 4.003 0 1 HIAF O=C(c1ccc(Br)cc1)c1c(CO)oc2cc(Br)cnc12 587273905 PWGNOFMOJILSBE-UHFFFAOYSA-N 411.049 4.076 0 1 HIAF CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2C 587341803 XTHHOKSAEPDYEJ-WIOPSUGQSA-N 417.436 4.325 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 587413544 ROVPOVAIAMVVCR-WIOPSUGQSA-N 415.445 4.149 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(F)ccc(F)c41)[C@@H](C2)C3=O 587430123 YJVTYTMZIFXAON-OWJWWREXSA-N 404.368 4.209 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCSCC2)nc1 587619100 QUCDLCAAIGJKBG-NZQKXSOJSA-N 420.490 4.043 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCC(=O)N3C)N1 587775751 UMBRKQOWRPRTDE-YBTHPKLGSA-N 403.295 4.121 0 1 HIAF C[C@H](Oc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1)C(=O)O 587797379 WOANATGXRFZMER-LIBAHTEVSA-N 408.267 4.064 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccco2)(c2ccco2)N1 587830763 UMBNQVRLZOYEPE-WYRIXSBYSA-N 404.235 4.435 0 1 HIAF CCN(C)C(=O)Oc1cccc([C@@]2(C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1 962617109 BSUBDUIQXXLUGU-FYSMJZIKSA-N 412.530 4.294 0 1 HIAF COc1ccc2c(c1OC)[C@H](c1ccc(O[C@H](C)C(=O)O)c(Cl)c1)N(C)[C@@H](C)C2 962642216 YWBIFOLEGAGBLZ-RDXCRGQUSA-N 419.905 4.175 0 1 HIAF C[C@@]1(c2ccc(F)cc2OC(F)F)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962761937 IHHBMRPGECOBJM-RDTXWAMCSA-N 403.322 4.336 0 1 HIAF CCOC(=O)CC[C@@]1(C(C)C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963179342 KGEUVYAHFOKUJY-ACJLOTCBSA-N 421.843 4.152 0 1 HIAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(Nc3ccccc3)c2cn1)c1ccc(F)cc1 1772623880 CNAWGEREIACUGA-LJQANCHMSA-N 420.448 4.350 0 1 HIAF Nc1cccc([C@@H](OCCN2CCCCC2)c2cc3nccc(C(=O)O)c3s2)c1 1857651681 FTKYSFLMVOPKTH-HXUWFJFHSA-N 411.527 4.169 0 1 HIAF CCCC=C1OC(=O)C2=C[C@H]3CC[C@@]12[C@@H]1C2=C(CC[C@@H]31)C(=CC[C@H](C)CO)OC2=O 2356357803 LOVKMDKTRUJTIN-QUSTZTRXSA-N 410.510 4.346 0 1 HIAF C[C@@H]1c2nc(NC(=O)c3cccnc3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356504987 MHMUNSRMYYJJFY-BLHXGTNJSA-N 411.527 4.044 0 1 HIAF CC[C@@H](C(=O)NCc1ccccc1)n1c(C2CCN(C(C)=O)CC2)nc2ccccc21 199230140 OBZQFDKSLJHBCH-QFIPXVFZSA-N 418.541 4.030 0 3 HIAF COC(=O)c1c2cccccc-2c(Cc2c3cccccc-3c(C(=O)OC)c2O)c1O 1633383 FRRBYHRUKQHQRQ-UHFFFAOYSA-N 416.429 4.471 0 1 HIAF Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCc1ccccc1 4935564 IBSAXNMXIIBVKD-UHFFFAOYSA-N 416.500 4.444 0 1 HIAF CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@@H]1O3 13474867 IFGIZQGZVWYBFG-QHCPKHFHSA-N 406.482 4.121 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CC(=O)NCc1ccccn1)C2=O 13681874 XLAUBGGXGLESCX-WHUSTICQSA-N 418.537 4.145 0 1 HIAF CCN(CCC1CCN(Cc2ccccc2)CC1)C(=S)NC(=O)c1ccccc1 13734762 ZAELRSITUJZFDB-UHFFFAOYSA-N 409.599 4.326 0 1 HIAF Cc1cc(C)c2c(n1)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C 13743163 SHPULYPCLRVLCV-UHFFFAOYSA-N 410.481 4.228 0 1 HIAF CCc1cc(CC)nc(O[C@@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1 13756069 GUTFIONSOPXFFD-NRFANRHFSA-N 406.482 4.024 0 1 HIAF CN(C)[C@@H]1CCN(c2ccc(NC(=O)CCCC(=O)c3ccc(Cl)cc3)cc2)C1 28126196 IBWPEMBCMSWKSH-OAQYLSRUSA-N 413.949 4.472 0 1 HIAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)NC3CCCC3)cc21 29476175 FDTFPNVLQXTJRH-UHFFFAOYSA-N 407.470 4.461 0 1 HIAF O=C1c2ccccc2C(=O)N1CCCCNCCCOc1cccc2ccccc12 29553917 IVAOZEOEFNHRMH-UHFFFAOYSA-N 402.494 4.275 0 1 HIAF O=C(COc1cccc(Cl)c1)NC1CCN(Cc2cccc(-n3cccc3)c2)CC1 35919765 FBHJAUBQAWIZFE-UHFFFAOYSA-N 423.944 4.290 0 1 HIAF CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1 40393106 WRHSNCBRDMVLKY-CYBMUJFWSA-N 401.492 4.154 0 1 HIAF COc1cc([C@@H]2CC(c3ccc(SC)cc3)=NN2C(C)=O)cc(OC)c1OC 58575506 WSHQABRXPCSCRM-SFHVURJKSA-N 400.500 4.132 0 1 HIAF C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82211952 ZPWXNTGGQIFARZ-MRXNPFEDSA-N 406.530 4.046 0 1 HIAF CCOc1ccc2cc(-c3nn(CCC4CCNCC4)c4ncnc(N)c34)ccc2c1 84690374 HNFQDFJWGOHWDP-UHFFFAOYSA-N 416.529 4.017 0 1 HIAF COc1ccccc1OCCNC[C@H](O)CCOc1ccc2[nH]c3ccccc3c2c1 96939484 MXWZVXHUBREERW-GOSISDBHSA-N 420.509 4.128 0 1 HIAF NCC1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)c2)CC1 205265075 NZMLZXLTEJFRJC-UHFFFAOYSA-N 402.477 4.001 0 1 HIAF Cc1nccc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc12 586956300 DWDJJGKQXIFXFH-UHFFFAOYSA-N 424.913 4.338 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c1 587028161 LQKRUHIZUHWJPR-UHFFFAOYSA-N 415.544 4.068 0 1 HIAF COC(=O)c1cccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c12 587031470 HNBXMWCYMLJATH-UHFFFAOYSA-N 413.499 4.371 0 1 HIAF CCOC(=O)c1cc2c(nc1O)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587107917 WTRYVSFNTPNLJG-UHFFFAOYSA-N 422.440 4.489 0 1 HIAF Nc1ccc2c(c1)C(=O)c1ccc(N)cc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510362 KMKITQYTMVYRQL-AREMUKBSSA-N 410.473 4.183 0 1 HIAF O=C1C[C@H](c2ccc(OCC(=O)N3CCCC3)cc2)Oc2c1ccc1c2CCCC1 587514232 MQDGFTPTBROSLX-HSZRJFAPSA-N 405.494 4.273 0 1 HIAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2ncnc(Cl)c21 587551915 LDJYWCDWRDCYKU-JXFKEZNVSA-N 407.813 4.030 0 1 HIAF CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587579199 CIOQXUHQEOIWHM-YLJYHZDGSA-N 408.410 4.075 0 1 HIAF COC(=O)c1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 587592352 YBNYGPYJVTXUAC-NFBKMPQASA-N 415.401 4.363 0 1 HIAF O=C(O)C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587605112 XKYSCFPGSZDWLC-FCDRKTINSA-N 402.402 4.211 0 1 HIAF COC(=O)c1cnc(Cl)cc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657778 ZPTBOPOHONAPKJ-UHFFFAOYSA-N 409.804 4.027 0 1 HIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Br)c(O)c4[nH]1)(C3)C2 587951174 XGDZAQCXLLYIPD-ORMMXULVSA-N 405.292 4.185 0 1 HIAF Cc1c2cc(-n3ccc(OCc4csc(C(F)(F)F)n4)cc3=O)ccc2nn1C 653715508 WNMFHDWYPNFDBY-UHFFFAOYSA-N 420.416 4.087 0 1 HIAF OCCCCCCNc1nccc(NCCNc2ccnc3cc(Cl)ccc23)n1 653861129 HUNOHPGKZOHFQW-UHFFFAOYSA-N 414.941 4.167 0 1 HIAF COc1ccc2[nH]cc(CCNC(=O)CC3CCN(Cc4ccc(C)cc4)CC3)c2c1 653864008 CAKSHRZUNPHCQP-UHFFFAOYSA-N 419.569 4.446 0 1 HIAF O=C([C@H]1Cc2ccccc2[C@H](c2cc(F)c(Br)cc2F)N1)C(F)(F)F 962729213 HCPLMXBBDYZOQW-HUUCEWRRSA-N 420.175 4.462 0 1 HIAF Cc1ccc([C@]2(CCC(=O)O)c3cccc(Br)c3CCN2C)cc1F 963282830 YHZGZAQYWWHUGV-HXUWFJFHSA-N 406.295 4.493 0 1 HIAF CC(C)=CCC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/[C@H](O)/C(CO)=C\C1 1772620114 CMSLJHNSPYWASF-DMWZULGCSA-N 418.574 4.164 0 1 HIAF CCn1nc(Cl)c2c1CC[C@H](N=c1nc3c(-c4ccc(F)cc4C)cccn3[nH]1)C2 1857638144 UVJRTECDQCPOJU-HNNXBMFYSA-N 424.911 4.105 0 1 HIAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c[nH]c4ccc(C)cc14)[C@@H]23 1857646194 IADJRVXJPCAFBE-UNMCOINBSA-N 423.601 4.494 0 1 HIAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)c4ccccn4)nc3[C@@H](C)[C@@H]21 2356320807 OBYSSIJIWOXWOJ-XSDQFTTLSA-N 411.527 4.044 0 1 HIAF CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(C=Cc2ccc(Cl)cc2)ccc1=O 2356636760 UDJBFXHCYYLVEI-MJGOQNOKSA-N 411.933 4.209 0 1 HIAF O=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3cc(F)ccc3F)cs2)c1 25317839 BEZPTLUZISXFQJ-UHFFFAOYSA-N 415.465 4.026 0 1 HIAF COP(=O)(OC)O[C@@H](c1cccc(Br)c1)P(=O)(OC)OC 29224743 FHPNGXOIMCFZCJ-LLVKDONJSA-N 403.102 4.351 0 1 HIAF CC[C@H](COC)n1c(=O)c(C)nc2c(-c3cc(Cl)c(OC)cc3C)ccnc21 34104713 YGBGQEDEFSZVMQ-CQSZACIVSA-N 401.894 4.335 0 1 HIAF C[C@H](C(=O)NCCC(=O)O)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40575737 YAKIVEOUPZUBMW-ZHPLUJGPSA-N 417.590 4.153 0 1 HIAF COc1ccccc1CCC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C 66263848 NMEBEUVQAVFPLM-NRFANRHFSA-N 408.450 4.060 0 1 HIAF N[C@H]1C[C@@H](N2Cc3nc(-c4ccccc4)[nH]c3C2)CS[C@@H]1c1cc(F)ccc1F 72317939 VNGDLXNLUDHUBB-FYINFDKHSA-N 412.509 4.245 0 1 HIAF CCc1csc(-c2nc(-c3ccc(C(N)=O)cc3)[nH]c2-c2ccc3c(c2)OCO3)n1 73311419 YZZDLRWQRIVRIV-UHFFFAOYSA-N 418.478 4.257 0 1 HIAF CCOC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2C 100958552 FRGNNZYHLRTEQP-MYGLTJDJSA-N 415.480 4.485 0 1 HIAF CCCC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 103265358 JXOKORGSZDLOEZ-HKUYNNGSSA-N 401.482 4.026 0 1 HIAF Cn1cc2cc(-c3cccc(OC[C@@H](O)CN4CCc5ccccc5C4)c3)ccc2n1 219726743 RJOCEZNWLGCLIW-DEOSSOPVSA-N 413.521 4.038 0 1 HIAF CCSc1cccc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1 220719006 HCCGPLVNNLOSEH-HSZRJFAPSA-N 410.539 4.193 0 1 HIAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2csc(N)n2)c(F)c1 224826419 KMRBBCGEXPCPAA-UHFFFAOYSA-N 405.520 4.275 0 1 HIAF CS(=O)(=O)c1ccc(-c2nnc3ccc(-c4cccc(C(F)(F)F)c4)cn23)cc1 473147583 FSMYWRQGHNUUCD-UHFFFAOYSA-N 417.412 4.486 0 1 HIAF C[C@@H](O)c1ncc(-c2nc3cc(Br)c(Br)cc3[nH]2)s1 587021055 FAYGBKPIAXUYJF-RXMQYKEDSA-N 403.099 4.265 0 1 HIAF COc1cc2c3c(c1)OC1(CCC4(CCN(C(=O)OC(C)(C)C)C4)CC1)[C@@H](C2)C3=O 587440513 ATTSZZSEQVVPSA-XWFFHEKESA-N 413.514 4.383 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc3ccccc3c12 587590774 AMHICHDZKMXRPX-SQJMNOBHSA-N 409.397 4.355 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCSCC2)nc1 587619102 QUCDLCAAIGJKBG-REWPJTCUSA-N 420.490 4.043 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccccn3)CC2)N1 587766125 FJLGSVBCPSVQMN-AWEZNQCLSA-N 404.327 4.009 0 1 HIAF COc1ccc(-c2cc(C(=O)N3CCOC[C@H]3Cc3ccccc3)c(C)o2)cc1OC 621431157 VCJKODMDKAZRID-HXUWFJFHSA-N 421.493 4.356 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2c[nH]c3cnc(Cl)cc23)N1 962708384 YZWRYHYVJMBCMB-CJNGLKHVSA-N 413.758 4.063 0 1 HIAF c1cncc(CN2CCc3sccc3[C@@H]2c2c[nH]nc2-c2ccc3c(c2)OCO3)c1 962995657 GQAAVRYPMLKAFE-HSZRJFAPSA-N 416.506 4.410 0 1 HIAF Cc1cc2c(cc1O)[C@@H](c1ccc(OCc3ccccc3)cc1F)N[C@H](C(=O)O)C2 963475060 ZRKBUYQSULJEOT-JTHBVZDNSA-N 407.441 4.107 0 1 HIAF C[C@@]1(F)CC(F)(F)[C@@](C)(c2cc(NC(=O)c3nccs3)ccc2F)NC1=N 1772597517 PZMYIHWMYVSDEE-HZPDHXFCSA-N 400.401 4.084 0 1 HIAF O=C1NC(c2ccccc2)=C[C@@H](c2ccc([C@@H]3C=C(c4ccccc4)NC(=O)N3)cc2)N1 1857773269 CPGKHSONSBIZQK-ZEQRLZLVSA-N 422.488 4.477 0 1 HIAF CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=CCN=C1 2356848048 PBZCXBQHXWOGPF-XMSQKQJNSA-N 415.530 4.432 0 1 HIAF COC1CCC(C(=O)N[C@@H]2C[C@@H]3c4cccc5c4c(cn5C(C)C)C[C@H]3N(C)C2)CC1 27731507 GWGKRSNKXKURMX-LMKQPQHYSA-N 423.601 4.256 0 1 HIAF CCCSc1ccc2c(c1)nc(NC(=O)OC)n2COC(=O)c1ccc(N)cc1 28766890 ZEIKJIOUJWPADZ-UHFFFAOYSA-N 414.487 4.113 0 1 HIAF COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc([C@@H]2CSC(C(C)C)=N2)n1)OC 38968622 MKHXEKLNLZKVLK-NOVXTXEHSA-N 424.588 4.353 0 1 HIAF O=C(Cn1cccc(NCc2ccccc2)c1=O)NCc1ccc(Cl)c(Cl)c1 43025257 QTNAVNLVKAOHQT-UHFFFAOYSA-N 416.308 4.084 0 1 HIAF Cn1c(NC[C@H]2CCCO2)nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21 82083401 VXBCMCBXVXGJLM-CQSZACIVSA-N 407.396 4.201 0 1 HIAF COc1cc(C[C@H]2CCCC[C@H]2O)c(Br)c(Br)c1OC 82154574 FQNQZQJJUNTVIK-MWLCHTKSSA-N 408.130 4.322 0 1 HIAF Cc1ccc(CNc2ncnc3c2nc(CC(C)C)n3CCN2CCCCC2)cc1 82179288 AAVZWRFEXWDPJD-UHFFFAOYSA-N 406.578 4.431 0 1 HIAF Cc1ncoc1-c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 95577736 KQKOQYVVBIYAKK-CYBMUJFWSA-N 419.403 4.406 0 1 HIAF COc1ccc(NC[C@H](O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)cc1 95591583 BQNTWAKCHQIDBG-SFHVURJKSA-N 411.498 4.215 0 1 HIAF Cc1cc(C)cc(Cn2c(=O)cc(NC3CCCCC3)n(Cc3ccccc3)c2=O)c1 96915388 UFDUDXIKAHGJRG-UHFFFAOYSA-N 417.553 4.468 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 115456924 XKJMEYZUIQYALK-CALCHBBNSA-N 415.969 4.317 0 1 HIAF COc1ccccc1Nc1ncc(Br)c(Nc2cc(C3CC3)n[nH]2)n1 139682613 LZFFJXGQEJDFAV-UHFFFAOYSA-N 401.268 4.335 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCCC(C)C)c3)C2)cc1 169709802 JJCMFXUNGVDUCU-FDDCHVKYSA-N 411.546 4.361 0 1 HIAF COc1cc2c(c(OC)c1OC)[C@@H](c1cc(Br)ccc1F)CC(=O)N2C 219429153 IXEDAOOYLWIWEM-GFCCVEGCSA-N 424.266 4.112 0 1 HIAF CC(C)N1CCN(C(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 473117185 XWEFJGFRMURPJD-UHFFFAOYSA-N 419.447 4.124 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)c(C)nc2[nH]1 586915357 DFLCJLBJEIWHJF-ORAYPTAESA-N 400.276 4.245 0 1 HIAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 586945542 HWXIODYRRSNQEH-UHFFFAOYSA-N 413.524 4.332 0 1 HIAF CCOc1cc(/C=C/c2nc3ccc(CO)cc3[nH]2)cc(Br)c1OC 586978468 TYTPCDHWQCNZRI-FNORWQNLSA-N 403.276 4.395 0 1 HIAF O=C1C[C@@H](Cc2nc3c(F)cnc(Cl)c3[nH]2)c2c(Br)cccc2O1 587004209 RHIOPUKJEOEMOL-SSDOTTSWSA-N 410.630 4.148 0 1 HIAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)nc2[nH]1)c1ccccc1 587219642 OPJKSFXRXRARHJ-KRWDZBQOSA-N 407.271 4.240 0 1 HIAF Cc1ccc(CNC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577231 JWNMNYKYDIUNCC-RCZVLFRGSA-N 417.461 4.127 0 1 HIAF Cc1noc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 587588877 UQOKYCTYHZODFL-SIKLNZKXSA-N 400.390 4.454 0 1 HIAF O=C(c1ccc(COc2ccc(F)cc2F)o1)n1ncc2ccc(Cl)cc2c1=O 587651474 KJEMUTWDVRWARE-UHFFFAOYSA-N 416.767 4.189 0 1 HIAF CN(C)c1ccc(NC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660842 UHSYVOCFVQWEKX-UHFFFAOYSA-N 402.429 4.349 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccco2)N1 587706727 QWRJXYGIDCIACL-XXFAHNHDSA-N 420.200 4.481 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2ccnc2)(c2cccc(F)c2)N1 587735217 XHSVWSTVPAQMSD-XCLFUZPHSA-N 418.285 4.402 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)O)cc1 587867298 ZFRHZJPRRMEJTE-UHFFFAOYSA-N 412.389 4.204 0 1 HIAF O=C(c1ccn(COc2ccc(Cl)cc2)n1)n1nc2cc1Oc1ccc(F)cc1-2 587873915 LSBKIHWTKUKGFL-UHFFFAOYSA-N 410.792 4.370 0 1 HIAF Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@@]21NCCc2ccc(F)c(C)c21 962096090 ZZACVFYPRQDAEB-RUZDIDTESA-N 403.501 4.356 0 1 HIAF CCOc1ccccc1[C@@]1(CCCCC(=O)O)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963019681 IEMDQFMMMIAREB-SSOJOUAXSA-N 422.525 4.027 0 1 HIAF CCOC(=O)c1oc2c(c1C)C(Cl)=C([C@@H]1NCCc3c(C(=O)O)cccc31)CC2 963128504 AVRNVBDGYWZXJW-LJQANCHMSA-N 415.873 4.246 0 1 HIAF CC(C)(C)N1CCC2(CC1)N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963188447 MSBOUYJIPOWXNI-OAHLLOKOSA-N 404.860 4.047 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)NC21CCC(N(C)C(=O)OC(C)(C)C)CC1 963643348 ZTARFBAZVKEZOP-AZQSGLJVSA-N 404.551 4.243 0 1 HIAF c1ccc(-c2nnn3c2[C@@H]2c4ccccc4CCN2Cc2cc4c(cc2-3)OCO4)cc1 1857539564 BFALXMMZPFIRMR-DEOSSOPVSA-N 408.461 4.124 0 1 HIAF CNC[C@H](O)c1ccc(O)c2c1C[C@H]([C@@H]1OC[C@@H](C)c3ncccc31)CC(C)(C)C2 2356361186 WLEJUQSLUFOHJJ-JDASBMTDSA-N 410.558 4.046 0 1 HIAF CC1=C[C@H](CNC(=O)C(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 2356499340 AWBRWTAXVOOPHV-BDTNDASRSA-N 413.606 4.447 0 1 HIAF 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@]1(O)CCCCO 2356689281 DJVDLKHAJBHWLE-NTGSIJOBSA-N 418.618 4.422 0 1 HIAF CCCCc1nn(CC)c(CO)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 1554755 DFDGQXHXNOUOAR-UHFFFAOYSA-N 416.529 4.176 0 1 HIAF Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1C 2989019 AMZDKPJJASZWNB-ZUQMFUFESA-N 412.489 4.113 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCN(CC)CC 4213563 LQAHVNXZHQXNRR-FGZHOGPDSA-N 403.567 4.167 0 1 HIAF CCc1ccc(CN(C)C(=O)CSc2nnc3c4ccccc4n(CC)c3n2)cc1 7096700 AYXJHIHIYLALDG-UHFFFAOYSA-N 419.554 4.313 0 1 HIAF biogenic O=C(NCCCCc1c[nH]cn1)NCC[C@H](c1ccc(Cl)cc1)c1ccccn1 13490252 PWSIXOXFPXIHAG-HXUWFJFHSA-N 411.937 4.302 0 1 HIAF COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2F)cc1 13493228 IWXIADMDALJGIK-UHFFFAOYSA-N 408.477 4.126 0 1 HIAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C(F)(F)F)s1 26662359 VOTWXOALGLSUAW-UHFFFAOYSA-N 408.427 4.347 0 1 HIAF CN(C)CCCCNc1c(Br)cccc1Nc1ncnc2ccncc12 29133184 SAQZCYVBJOWEGO-UHFFFAOYSA-N 415.339 4.285 0 1 HIAF O[C@H]1CCC[C@@H]1N1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1 49066950 UFZFALKWYRNPQE-PMACEKPBSA-N 423.948 4.280 0 1 HIAF O=S(=O)(NC[C@H](c1ccccc1)N1CCCCCC1)c1cccc2cccnc12 64415736 PDCGUBKAAXXTPW-OAQYLSRUSA-N 409.555 4.130 0 1 HIAF CC(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CC[C@@H]1CCCN1C 82179645 LZJASANSQKLXHI-FQEVSTJZSA-N 424.568 4.303 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 82219760 JDJLTCSJXHKDJD-PMAPZHQJSA-N 424.585 4.323 0 1 HIAF Cc1nnc(NC(=O)[C@H](C)Sc2nc3ccccc3n2-c2ccc(F)cc2)nc1C 84587907 ZESHGJJQSZYZFC-AWEZNQCLSA-N 422.489 4.086 0 1 HIAF Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)CC2CCC(C(=O)O)CC2)cc1 115731267 TZXPNVOOBQICEK-UHFFFAOYSA-N 419.518 4.216 0 1 HIAF O=c1ccc(-c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)c[nH]1 142895458 HSCGIZGJUXQGHW-UHFFFAOYSA-N 416.391 4.168 0 1 HIAF O=C(Nc1ccc(C2=CCN(CC3CCOCC3)CC2)cc1)N1Cc2ccncc2C1 166464002 DJVTYKJSGPFYNT-UHFFFAOYSA-N 418.541 4.145 0 1 HIAF O=C(COc1ccc(Br)cc1)COc1ccc(Br)cc1 169334103 JUJBAEJKNIUYLY-UHFFFAOYSA-N 400.066 4.239 0 1 HIAF COC1CCC2(CC1)Cc1ccc(OCCC(F)(F)F)cc1[C@@]21N=C(C)C(N)=N1 169708564 JJEORDNWHQBLEW-ZJKHUDDUSA-N 409.452 4.134 0 1 HIAF COc1cc(F)ccc1-c1cncc2cc(S(=O)(=O)Nc3nccs3)ccc12 225047138 ZQDHJTQSQVFQFN-UHFFFAOYSA-N 415.471 4.307 0 1 HIAF CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2ccco2)C1 299882485 PVBZQROJRCDVBX-FVJVTNMWSA-N 416.562 4.107 0 1 HIAF COc1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1Cl 586986652 YXUVTMCJSWQMSA-AWEZNQCLSA-N 422.710 4.407 0 1 HIAF O=c1cccc(-c2nc3c(F)c(F)ccc3[nH]2)n1CCOc1ccccc1Cl 587064017 JBMVSFUPLBRYHQ-UHFFFAOYSA-N 401.800 4.402 0 1 HIAF FC(F)(F)c1nc(Cl)[nH]c2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)nc1-2 587120019 NVKHNEPVCRENRG-UHFFFAOYSA-N 424.736 4.119 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(N)cc4)[nH]c3c2)cc1 587251349 DQEXBJIKGSJJAP-PQMHYQBVSA-N 420.494 4.125 0 1 HIAF CC[C@@]1(c2c[nH]c(C(=O)OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344044 FFLRBAANMKCIIK-REWPJTCUSA-N 409.413 4.310 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OCc4ccccc4)CC1(C)C)[C@@H](C2)C3=O 587438744 QVNSUFLIAJYYML-DFBJGRDBSA-N 421.493 4.250 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(O[C@H](C(=O)O)c4ccccc4)cc1)[C@@H](C2)C3=O 587441140 ROTBLMFIBJUKGO-IEXUWNMDSA-N 416.429 4.389 0 1 HIAF CCCc1c(O)ccc2c1O[C@](/C(=C/N(C)C)C(=O)OCC)(c1ccccc1)CC2=O 587470358 SRQZHVBENRMICY-XDKREJCVSA-N 423.509 4.214 0 1 HIAF COc1ccccc1-n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587582046 NLDULZBVVJJZDD-QPPBQGQZSA-N 414.417 4.289 0 1 HIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(C)=O 587594253 NQDJNTBLLNSJNR-OFNKIYASSA-N 406.390 4.029 0 1 HIAF O=C(O)CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587596782 OUMSQUINSSDZIC-XUZZJYLKSA-N 420.417 4.339 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccco1)c1ccco1 587616426 JUBWEOXJHXEHGA-XXBNENTESA-N 402.358 4.318 0 1 HIAF Cc1cccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587746496 ZXUDUWUESDFOQH-BUXKBTBVSA-N 406.299 4.070 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cn3ccnc3)c2)N1 587757066 UNIHWEOECRXNGQ-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C(=O)C2)N1 587768207 LMVMEQPRQVRBES-SZNDQCEHSA-N 417.322 4.140 0 1 HIAF COCCc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587849492 AABZFZSHEWLTAJ-MGNBDDOMSA-N 413.356 4.340 0 1 HIAF O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)n1nc2cc1Oc1ccc(F)cc1-2 587876524 SWMODCHBZCUNNM-UHFFFAOYSA-N 424.409 4.050 0 1 HIAF Cc1ccc(-c2csc(NC(=O)NCC(=O)COc3c(F)cccc3F)n2)cc1 621477674 HSMOFVSCWIMFPZ-UHFFFAOYSA-N 417.437 4.166 0 1 HIAF Nc1c(C=O)ccc2c1C(=O)c1ccccc1[C@]21c2c(F)cccc2C[C@@H]2CCCN21 963102699 FYSBIUOXFXQVEZ-MRDQGFSESA-N 412.464 4.077 0 1 HIAF C[C@H]1CCc2c(sc(N)c2[C@]2(c3ccco3)NCCc3c(C(=O)O)cccc32)C1 963124482 QZIQLEPJZWXTBT-NPMABZOXSA-N 408.523 4.184 0 1 HIAF Oc1nc(SCc2cccc(Cl)c2)nc(SCc2ccc3nonc3c2)n1 1857556397 QZUYZEMBZXXSFL-UHFFFAOYSA-N 417.903 4.351 0 1 HIAF C[C@H](CC(=O)O)c1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)c1 1857762148 OSJXLDOVNXZNHD-LLVKDONJSA-N 406.360 4.206 0 1 HIAF O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F)N1CCOCC1 768814 MNMPIGMRBIGOLD-HKUYNNGSSA-N 423.271 4.083 0 1 HIAF Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)c2nn(-c3ccccc3)c(C)c12 6945101 HFNYRWWETGTIQF-HNNXBMFYSA-N 417.538 4.402 0 1 HIAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCSC(C1CC1)C1CC1)N1CCCC1 13756430 MMVXARPIXDBYMN-UFYCRDLUSA-N 404.620 4.080 0 1 HIAF Cc1cc(C)c(CCC[P@](=O)(O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 26744878 PPWOSNFLPPZUDM-SFHVURJKSA-N 422.433 4.457 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ccccc2C(F)(F)F)CC1 28103767 JYUGYSAVKIDZKF-UHFFFAOYSA-N 418.341 4.473 0 1 HIAF NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cccc2ccccc12 28765333 VOTPDBZOJJLBOT-NRFANRHFSA-N 406.482 4.169 0 1 HIAF O=C(NCc1cccc(-c2cccc(CN3CCNCC3)c2)c1)c1cccc(Cl)c1 40955403 OQYCMIKSVDGGPQ-UHFFFAOYSA-N 419.956 4.342 0 1 HIAF COc1ccc([C@@H]2CC(Nc3nc4ccc(Cl)cc4s3)=NN2C(C)=O)cc1O 45260930 ICHBTYZWHHHKLM-AWEZNQCLSA-N 416.890 4.383 0 1 HIAF COC(OC)c1cc2c(s1)C[C@H](OC)OC21CCN(Cc2ccccc2)CC1 53294050 OLIQTEGQVZIHIR-HXUWFJFHSA-N 403.544 4.076 0 1 HIAF COc1cc(OC)cc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)c1 58506796 QGVWXFRKSHNFGQ-IBGZPJMESA-N 403.276 4.164 0 1 HIAF O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@H](O)CNCc1ccccc1 73293305 GTEUMOCTWVFOHL-JOCHJYFZSA-N 407.485 4.171 0 1 HIAF CCc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 82069005 IKOZWAFIXAQRSE-LJQANCHMSA-N 411.571 4.053 0 1 HIAF Cc1cccn2c([C@H](C)Nc3ncnc4[nH]cnc34)c(-c3cc(F)cc(F)c3)nc12 95565940 CPTIBQXPYIQVLM-LBPRGKRZSA-N 405.412 4.427 0 1 HIAF CN(C)CCN1C(=O)c2cccc3c2c(cc2nc(-c4ccc(Cl)cc4)oc23)C1=O 95591909 BDBRLCDVUYCPMD-UHFFFAOYSA-N 419.868 4.459 0 1 HIAF Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 142906787 DHRKQJQSMYHSPN-GFCCVEGCSA-N 422.539 4.051 0 1 HIAF c1cc(-c2nc(-c3cccc4[nH]ccc34)c3c(n2)N2CCOC[C@@H]2CO3)c2cc[nH]c2c1 218252981 DYBROFXFBNCCFM-OAHLLOKOSA-N 423.476 4.371 0 1 HIAF Cc1ccnc2c(NC(=O)c3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3)cccc12 245261289 BLPUCTSDPCUHQQ-PEYKTXOXSA-N 423.472 4.107 0 1 HIAF c1ccc(C(CN2CCN(CCCNCc3cccnc3)CC2)c2ccccc2)cc1 299856205 IQMUSOSXSKWCIX-UHFFFAOYSA-N 414.597 4.011 0 1 HIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C)cc(Br)c2[nH]1)C(C)C 586933113 MUFHZLSWCDYVLO-CQSZACIVSA-N 402.358 4.050 0 1 HIAF CC(=O)N[C@H](Cc1nc2c(C)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 586986012 UFKYJJAPIDUZAN-CYBMUJFWSA-N 407.699 4.102 0 1 HIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CN(C(=O)c1ccccc1)CC3 586988876 YUVIUDDOWIUTFO-UHFFFAOYSA-N 406.441 4.350 0 1 HIAF Clc1ncc(I)c2[nH]c(-c3cc4c(s3)CCC4)nc12 587036507 DDKOGTFYTBMDDI-UHFFFAOYSA-N 401.660 4.433 0 1 HIAF Cc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1Br 587235052 DPXRQXJSWIYSQA-UHFFFAOYSA-N 422.323 4.497 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(-c4c(N)cccc4C(=O)O)[nH]c3c2)cc1 587249261 GCTPFHPDBBUMCS-UHFFFAOYSA-N 403.394 4.089 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1F)c1c(CO)oc2cc(Br)cnc12 587276937 UXRVRBBPIPKFDQ-UHFFFAOYSA-N 418.140 4.472 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422843 VDVBYOXBMCUDET-IERDGZPVSA-N 420.383 4.310 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC1OCCO1)c1cccc(F)c1 587571367 NLSMQRQTGTZJKQ-QPPBQGQZSA-N 422.408 4.151 0 1 HIAF CCOC(=O)[C@H](C)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587703220 GGHWWZJGWHQPND-UTEYVOQOSA-N 412.221 4.079 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587758193 BYAJLFWRUJOKCH-PEBVRCNWSA-N 413.331 4.421 0 1 HIAF C[C@H](Oc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O 587791185 IZZOPZYDWWRCPP-DDBGAENHSA-N 408.267 4.064 0 1 HIAF CC1(C)Cc2[nH]nc(Nc3ccccc3)c2[C@]2(C1)c1ccsc1CCN2C(N)=O 962712166 OARFBSIHTIVOCE-QFIPXVFZSA-N 407.543 4.368 0 1 HIAF CCCCCC[C@@]1(C(=O)O)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924748 GYRSTQWOEAUZLU-NZQKXSOJSA-N 413.470 4.034 0 1 HIAF C[C@@H](N=c1nc[nH]c2oc(-c3ccc(NCCN(C)C)cc3)cc12)c1ccccc1 1772624680 QJXSNAGEGZAXGL-QGZVFWFLSA-N 401.514 4.458 0 1 HIAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@@H]2c1ccccn1 1772648429 TVNDSRRWCNPNBH-HXUWFJFHSA-N 411.465 4.241 0 1 HIAF O=C(N[C@H]1CC[C@H]([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1)c1ccccc1 1857551504 GGPLEOHHSWNDKN-UNBWHIKDSA-N 401.510 4.193 0 1 HIAF CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)Nc1cccc(O)c1 2356870161 XOAGZOZYQXXAAQ-DLBZAZTESA-N 411.502 4.310 0 1 HIAF COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1OC 2468518 CVUYLNBMMBZNNE-IFXJQAMLSA-N 419.275 4.236 0 3 HIAF O=C(Nc1ccccc1)c1cc([C@H]2CCCN(C(=O)OCc3ccccc3)C2)on1 61895710 SBPXWFQJUPVPCB-SFHVURJKSA-N 405.454 4.443 0 3 HIAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OCC3CCCC3)n2)cc1 1489239 YECOEALYOOMIEB-UHFFFAOYSA-N 400.422 4.135 0 1 HIAF CCCCc1nc(CCCC)n(Cc2ccc(-c3cccnc3-c3nnn[nH]3)cc2)n1 1534666 UGEPTBWBRHNNFZ-UHFFFAOYSA-N 416.533 4.254 0 1 HIAF Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccs2)C1 8636106 CNOIEKKJIYKHRO-HZPDHXFCSA-N 408.483 4.301 0 1 HIAF biogenic N[C@H](COc1cncc(-c2cc3c(-c4ccco4)n[nH]c3cn2)c1)Cc1ccccc1 14962198 SUTSEXNYUMIAMX-SFHVURJKSA-N 411.465 4.229 0 1 HIAF CCCCc1ccc(C(=O)O)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 28253804 NVEKGJOISJDKBU-UHFFFAOYSA-N 405.450 4.303 0 1 HIAF Cc1ccccc1[C@H](c1cccc(C)c1C)[S@@](=O)CCN1CCC[C@H](C(=O)O)C1 42965882 SJOHLQSDIATXGF-YOLRXJNRSA-N 413.583 4.247 0 1 HIAF Cc1cc(N2CC[C@@H](CN3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(CO)cc1 59264269 DKQIZBBOUKKSND-FPOVZHCZSA-N 407.558 4.050 0 1 HIAF CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069571 PXVAPFYGCGPSSB-SFHVURJKSA-N 416.543 4.022 0 1 HIAF C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCC1CCCCC1 82082930 GCZYMORHEXNLIS-ZDUSSCGKSA-N 405.951 4.278 0 1 HIAF CCOc1cc(O)c2c(c1)O[C@H](c1ccc(OCC)c(OCC)c1)[C@@H](OCC)C2=O 84422551 QMMBOSQGNREFSP-PKTZIBPZSA-N 416.470 4.310 0 1 HIAF CC[C@@H]1COc2c(OC)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 95554088 GZYUOGNPBFAMCO-UHPHFRDNSA-N 422.525 4.052 0 1 HIAF CC(=O)OC[C@]1(O)C[C@@]23CC[C@H]4[C@](C)(COC(C)=O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 100777066 OQDCKOUFTOKDOD-CVGDDBFFSA-N 406.563 4.257 0 1 HIAF endogenous,in-man CC(C)c1csc2ncnc(N3CCC(CNCC[C@H]4CCCN4C)CC3)c12 146596314 RTZXYTRAGGSFMQ-GOSISDBHSA-N 401.624 4.105 0 1 HIAF Cc1ccc2c(c1)c(CC(=O)O)c1n2C[C@@H](N(C)c2nc3cc(F)ccc3o2)CC1 203540973 UPKCDYPJCYUAOV-HNNXBMFYSA-N 407.445 4.308 0 1 HIAF CC(C)=CCc1c(-c2ccc(O)cc2O)oc2cc3c(cc2c1=O)C[C@H](C(C)(C)O)O3 238755079 QPHDNUUOPNWLFY-JOCHJYFZSA-N 422.477 4.454 0 1 HIAF COc1ccc2c(c1OC)-c1cc(CC(C)=O)c3cc4c(cc3c1N(C)C2)OCO4 238770698 IMZDPAOUNINERM-UHFFFAOYSA-N 405.450 4.334 0 1 HIAF COC(=O)/C1=C\C=C(\C(C)C)CCC2=CCC[C@@](C)(OC2=O)[C@H](OC(C)=O)CC1 238772278 GCDVQIVAHBRSQZ-HDILKVHNSA-N 404.503 4.196 0 1 HIAF CC(=O)Oc1c(-c2ccc(O)cc2)c(O)c2oc3cc(O)ccc3c2c1OC(C)=O 238777758 LZEQJUNXXZIOAR-UHFFFAOYSA-N 408.362 4.220 0 1 HIAF COc1cc(OC)c2c(c1)O[C@@]1(c3ccccc3)[C@H](c3ccccc3)C[C@@H](O)[C@@]21OC 238786716 LPOCCMXPFMBZCP-KRWYSWARSA-N 418.489 4.382 0 1 HIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)c(Br)cnc2[nH]1 586962011 AEGSKIXCDOWYPG-QMMMGPOBSA-N 414.716 4.421 0 1 HIAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cncc(F)c3)[nH]c2c1 587176568 ADJHERTZUWYALZ-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF COc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1OCC(=O)NC(C)C 587227076 YKEXBDMMHHJKGY-UHFFFAOYSA-N 423.391 4.041 0 1 HIAF COCCOC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349598 QGFVYXPMWIMZGJ-NFBKMPQASA-N 402.462 4.338 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc4cc(OC)c(OC)cc4nc1Cl)[C@@H](C2)C3=O 587420609 LGWFZUJLKVBVLB-ZSEKCTLFSA-N 411.841 4.403 0 1 HIAF C=CN1CCCC[C@@H]([C@]2(c3cccnc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587477278 XCUYWDTUZPAZOW-CJFMBICVSA-N 420.509 4.373 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)OC=C1OCc1ccccc1)CC2=O 587479907 KBYYXDMWEFGTKK-DEOSSOPVSA-N 422.433 4.106 0 1 HIAF Cc1ccc([C@@]2(c3ncccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587586675 LHQCNIAMHZEBOI-PXDATVDWSA-N 410.429 4.396 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)c(F)c(O)c(F)c2F)N1 587723904 ZCOYTGGQOSHEOQ-SPHRHWQCSA-N 408.164 4.474 0 1 HIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1-n1cncn1 587760721 QDMKXQUEXAAGSO-BUXKBTBVSA-N 401.283 4.101 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCC(=O)O)cc2)N1 587796514 TZZLAZCFNOCRSW-MPBGBICISA-N 422.294 4.239 0 1 HIAF C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCCCC2)S3)CCC[C@H]1C 618007509 KBBJJNFHPXWHTL-AAFXUOQASA-N 401.576 4.097 0 1 HIAF Cc1ccc(F)cc1[C@@]1(C(F)(F)F)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983806 ZURGKNYUPGHQGM-CXAGYDPISA-N 423.740 4.471 0 1 HIAF COc1cc(N(Cc2cccc(C)c2C)CC2CC2)cnc1C(=O)[C@@H]1C[C@H]1C(=O)O 1772586906 LRXJWJPKMGAWTD-WOJBJXKFSA-N 408.498 4.027 0 1 HIAF [C-]#[N+]c1cncc(-c2cc(Cl)c([C@]3(C)CS(=O)(=O)C4(CCC4)C(=N)N3)s2)c1 1772639212 QVOVMMNAVRTRCL-KRWDZBQOSA-N 420.947 4.147 0 1 HIAF O=C(Nc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 1857771395 DMWMIIMFGZJJSJ-UHFFFAOYSA-N 421.396 4.496 0 1 HIAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCCCC(=O)O 2356732871 CFRBBWPHUQTQFD-ACRUOGEOSA-N 423.594 4.401 0 1 HIAF Cc1oc(-c2ccccc2)nc1CC[C@H](O)c1ccc(C[C@H]2SC(=O)NC2=O)cc1 3787820 HEFGGAWLJMWCQK-VQTJNVASSA-N 422.506 4.210 0 1 HIAF CCN(CC)c1ccccc1C[S@@](=O)c1nc2c(n1-c1ncccc1C)CCC2 13746328 FBHPTKWZMCNXPK-LJAQVGFWSA-N 408.571 4.218 0 1 HIAF O=C(N[C@H](CO)c1ccccc1F)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959244 XUVQHPRTXRLLPM-HXUWFJFHSA-N 424.863 4.328 0 1 HIAF O=C1Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[C@@]1(O)c1cc(Cl)ccc1O 29318073 HVWAOJYKZRILEF-AWEZNQCLSA-N 411.685 4.271 0 1 HIAF NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(-c2cccnc2)cc1 45195050 QCHCXZNZJTYNKL-UHFFFAOYSA-N 418.500 4.349 0 1 HIAF CSCCNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2 49088862 LDOAZVFBEHRVSE-FQEVSTJZSA-N 409.555 4.349 0 1 HIAF Cc1nc(-c2ccc(F)cc2F)n(C)c1CC(=O)NCc1ccc(F)cc1Cl 72110417 JSEYSTNCOZGWSR-UHFFFAOYSA-N 407.823 4.325 0 1 HIAF COc1cc2nc(NC[C@H]3CCCO3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC 82127368 YNOITXDVNRSCDZ-SJLPKXTDSA-N 422.529 4.454 0 1 HIAF CCOc1cc(O)c2c(c1)O[C@@H](c1ccc(OCC)c(OCC)c1)[C@H](OCC)C2=O 84422548 QMMBOSQGNREFSP-XZOQPEGZSA-N 416.470 4.310 0 1 HIAF COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2OC)c1 84688277 YARJVRWRAHGSGY-UHFFFAOYSA-N 414.483 4.257 0 1 HIAF O=C(CSc1nncnc1-c1cccc2ccccc12)Nc1cccnc1Cl 95562380 CAEYUZLFCSOBKI-UHFFFAOYSA-N 407.886 4.471 0 1 HIAF CCNC(=O)Nc1ccc(-c2cc3ccc(OC(=O)N(CC)CC)cc3oc2=O)cc1 98083068 NZKAFYGOJSUSDF-UHFFFAOYSA-N 423.469 4.442 0 1 HIAF Cc1nc(-n2ccc(-c3ccccc3)cc2=O)sc1C(=O)NCc1ccccc1 103230877 CTBMGYGHXFJGEB-UHFFFAOYSA-N 401.491 4.199 0 1 HIAF O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1 103247969 ZOLAHCWMNHCSTF-WOJBJXKFSA-N 400.906 4.367 0 1 HIAF Cc1nc(-c2cc(Br)cnc2Nc2cccc3[nH]ncc23)c2nc[nH]c2n1 113233655 UHGPBSAKCIJMHV-UHFFFAOYSA-N 421.262 4.106 0 1 HIAF CCOc1ccc(C[C@H]2C[N+]3=C(NC[C@@H]3C)N2CCC23CC4CC(CC(C4)C2)C3)cc1 169721129 LIAFDSHDBCUQMB-JLUDPXHUSA-O 422.637 4.279 0 1 HIAF O=S(=O)(Nc1ccncn1)c1ccc2c(-c3cccc4cccnc34)nccc2c1 225126264 RERCLTRXVBLKBZ-UHFFFAOYSA-N 413.462 4.041 0 1 HIAF Cc1ccc(S(=O)(=O)N(C)c2ccc3[nH]c(-c4n[nH]c5ccccc45)cc3n2)cc1 299870893 XCCYRKPSBZSOQZ-UHFFFAOYSA-N 417.494 4.240 0 1 HIAF CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587339596 QUCNEUZOAUZYCE-ZJSXRUAMSA-N 403.409 4.152 0 1 HIAF O=C1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Br)cc2O1 587495065 BNXJVSAGMCBUNF-OAQYLSRUSA-N 413.267 4.498 0 1 HIAF Cn1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F 587558952 YLNXCDDBRVHTED-QFBILLFUSA-N 404.344 4.022 0 1 HIAF COc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)nc2c1 587587909 QQUANBXUDKQCOI-REWPJTCUSA-N 415.401 4.358 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCC1OCCO1)C1CC1 587615299 GMZLPUOYASZVFM-XUZZJYLKSA-N 410.466 4.436 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)Nc3ccc(F)cc32)N1 587733814 OSLOUXHVVDFGPI-GIGQVBGESA-N 407.258 4.237 0 1 HIAF CCCOc1ccccc1[C@]1(CN)N[C@H](C)Cc2cc(Br)c(F)cc21 587749730 QHZIFWZJBPHILP-XCLFUZPHSA-N 407.327 4.114 0 1 HIAF Cc1cccc2c1OC(C(=O)O)=C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587845171 ZEBACJOMVRCZRN-YBTHPKLGSA-N 418.262 4.035 0 1 HIAF O=C(Nc1cccc(CN2CCCCC2)n1)Nc1cccc2c1[C@H]1CCCCN1C2=O 653739261 MEOSMYVZUOFNIN-HXUWFJFHSA-N 419.529 4.392 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@H]3c3cn(C)cn3)nc(Cl)c2C)s1 653805837 RRRWGGNSFDQDHO-ZIAGYGMSSA-N 418.954 4.040 0 1 HIAF Cc1c(F)ccc2c1[C@](C)(c1cc3ccc(Br)cc3oc1=O)NCC2 962297161 ITKWZUXJOVARGO-FQEVSTJZSA-N 402.263 4.412 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1nn(C)c2ccc(Br)cc12 963062917 YCZVOUZFOOYIBY-NRFANRHFSA-N 423.314 4.128 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCCc2nc(-c3cccnc3)sc21 963604074 DQKXFWVXOAJVMH-LFVRLGFBSA-N 407.539 4.336 0 1 HIAF Cc1nc2c(N3CCOCC3)ncnc2n1Cc1ccc(-c2ccc(Cl)cc2)cc1 1772586347 TVXPGCOODPMNCE-UHFFFAOYSA-N 419.916 4.340 0 1 HIAF O=C(O)CCCc1cc2cc(C(F)(F)F)ccc2n1S(=O)(=O)c1ccccc1 1772609474 ODYYKZDXDKTSNE-UHFFFAOYSA-N 411.401 4.304 0 1 HIAF CCN(CC)CC(=O)Nc1ccc(Nc2nc(N(CC)CC)nc3ccccc23)cc1 1772611334 RHNPFVCWECMCFP-UHFFFAOYSA-N 420.561 4.500 0 1 HIAF CN1C(c2ccccc2)=C2C=CC=CN2C1=C1[N+](C)=C(c2ccccc2)c2cccc[n+]21 1857578983 DWHLTFXAMLZFBN-UHFFFAOYSA-N 416.528 4.251 0 1 HIAF CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC1(N(C)C)CCCCC1 6862408 SBAPHFDFFMGJRF-OAQYLSRUSA-N 415.622 4.119 0 3 HIAF O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccccc1 775049 XODJNCHEIAGEMP-LJQANCHMSA-N 416.452 4.481 0 1 HIAF CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc(OCC)c1 4043213 FOHGETOOEMEWIG-GGAORHGYSA-N 409.530 4.159 0 1 HIAF COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4081612 KLECVOOXRDWZGE-FPOVZHCZSA-N 410.857 4.350 0 1 HIAF COc1ccc(OC)c(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)c1 9673248 KPFHONCJPCQEIY-SFTDATJTSA-N 422.506 4.315 0 1 HIAF O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cnco1 13489824 ZLLRSPYUTRWAPN-UHFFFAOYSA-N 404.266 4.392 0 1 HIAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1cccc(OC)c1)CCCCC3 13837616 CGAQBZKVXONIKP-FQEVSTJZSA-N 408.498 4.303 0 1 HIAF C=CCc1ccc2c(c1)[C@@]1(O)C(=O)C[C@@H](O2)[C@]2(CC=C)c3cc(CC=C)ccc3O[C@H]12 15212891 WKBOOTDLPUYYAB-LGTXBLIGSA-N 414.501 4.340 0 1 HIAF biogenic Cc1nc(C(=O)N[C@H](C)C(=O)NCc2cccc(Cl)c2)cc2c1[nH]c1ccccc12 15968914 ZWVYXSSCKNERBB-CQSZACIVSA-N 420.900 4.113 0 1 HIAF biogenic CC(C)CC(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 26574339 SNYNKLIUJDQCAG-OXQOHEQNSA-N 413.539 4.160 0 1 HIAF COc1cc(OC)cc(C(=O)N[C@@H]2CCN(Cc3ccc4ccccc4c3)C[C@@H]2C)c1 36351870 ZDCIMEKMJPQAFI-AVRWGWEMSA-N 418.537 4.497 0 1 HIAF O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)c(F)c2)c1Cl 72176304 AKTYPMNVRRQNOV-ZJUUUORDSA-N 406.763 4.186 0 1 HIAF CCCN(CCC)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccccc1 73165200 YQVJPAVWRLILOR-UHFFFAOYSA-N 416.525 4.297 0 1 HIAF O=C(CNc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)NC[C@H]1CCCO1 82193648 XNRHLVMESRPECV-LJQANCHMSA-N 409.511 4.310 0 1 HIAF COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@H]1CC2 84669915 MJWPCAOHFMDONV-PXNSSMCTSA-N 404.388 4.464 0 1 HIAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 95873539 RDEQLRCOXKGDQP-BQMUITOCSA-N 423.532 4.315 0 1 HIAF COCc1cc(NC(=O)c2ccc(Cl)cc2)cc([C@]2(C)CCSC(N)=N2)c1 96174300 FJGZWNVLLFJOIE-FQEVSTJZSA-N 403.935 4.406 0 1 HIAF COC(=O)N1C=CC([C@H]2C(C(=O)OC(C)C)=C(C)N=C(C)/C2=C(/O)OC(C)C)=CC1 100050511 MVIUFYBRWJCQBC-WENBPLFZSA-N 418.490 4.019 0 1 HIAF Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 101296975 HZPGVFKYDDQWIZ-SHTZXODSSA-N 422.360 4.311 0 1 HIAF COC(=O)c1nc2n(n1)[C@@H](c1ccc(C)cc1)/C(=C(\O)OC1CCCCC1)C(C)=N2 103531146 UEFDBHMBOOXCBL-ONZPZFSWSA-N 410.474 4.187 0 1 HIAF Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144359557 LTXJULOSIPKSDB-SIXWZSSISA-N 419.378 4.497 0 1 HIAF COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)[C@@H](O)O2 238772176 MOMKOGNUPUNXPC-QFIPXVFZSA-N 408.406 4.045 0 1 HIAF COc1cc(-c2cc3cc(Br)cc(OC)c3oc2=O)cc(OC)c1OC 299819161 AKMQKUOAOZACCJ-UHFFFAOYSA-N 421.243 4.257 0 1 HIAF O=C(O)c1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984279 DSWDVSIYMWNYPG-KRWDZBQOSA-N 400.276 4.209 0 1 HIAF Cc1nc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2cc1Br 587004612 YCVNBUYPGLTPOI-UHFFFAOYSA-N 407.069 4.335 0 1 HIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(I)cc2[nH]1 587175434 SGTSHYMBDBBJLX-ZDUSSCGKSA-N 420.229 4.030 0 1 HIAF Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc2c(C)n1 587238816 GJAAJCDIXFEJDW-AOSWFRPUSA-N 400.523 4.130 0 1 HIAF COc1cc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2cc1OC 587240622 MDRZMNIKEAFSJF-UHFFFAOYSA-N 417.465 4.442 0 1 HIAF CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc21 587328581 AZONNRDRNQNNIX-XUZZJYLKSA-N 421.399 4.291 0 1 HIAF CCOC(=O)[C@@H](NC(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587359146 DJGCLNORNLKPAS-QFIPXVFZSA-N 418.449 4.397 0 1 HIAF Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411402 ZMDHUMMSAIAWFS-DEOSSOPVSA-N 421.518 4.198 0 1 HIAF COc1ccc(CNC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660921 JXIWKGFFKRCCJZ-UHFFFAOYSA-N 419.481 4.134 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)(F)C(F)(F)F)N1 587709546 NLZCMHWTZISMRI-CPFSXVBKSA-N 418.175 4.494 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCc2ccc(F)cc2)N1 587735128 PJAIKTYLCCOMFO-MPBGBICISA-N 423.301 4.183 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)nc2/C=C/N(C)C)N1 587744454 BHFPAEMANYKIFR-IGHNWBDASA-N 420.326 4.019 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccncc2)N1 587763285 IYICLOOXGJXIIE-NSPYISDASA-N 401.283 4.007 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCC(=O)O)cc2)N1 587796463 SXJSGOAOCFVNLV-WLRWDXFRSA-N 408.267 4.065 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Br)n2)N1 587850742 FEXBTBMNGYMIJW-QTTZVWFDSA-N 406.118 4.431 0 1 HIAF CCOc1ccc(NCN2C(=O)c3ccc(NC(=O)c4ccccc4)cc3C2=O)cc1 653719088 KFHOZVHBJDQUNU-UHFFFAOYSA-N 415.449 4.003 0 1 HIAF c1ccc(-c2csc3ncnc(N4C[C@H]5C[C@H]4C[C@H]5OCCN4CCCC4)c23)cc1 653763878 QOLPMJXEJYOBKJ-SVFBPWRDSA-N 420.582 4.438 0 1 HIAF Cc1c(F)cccc1[C@]1(CCCC(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962731412 RMDUMWXLKHCVGB-NQIIRXRSSA-N 423.406 4.278 0 1 HIAF CC(C)CCn1cccc1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963138866 IOOXVIRTZGXGGR-DLBZAZTESA-N 419.547 4.327 0 1 HIAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cnc1Cl 963173746 FBQXKTWAKGWLAH-FZMZJTMJSA-N 405.203 4.404 0 1 HIAF O=C1CCCC(=O)C1C[C@]1(c2ccc(Cl)cc2Cl)NCCc2ccc(O)cc21 963328169 DAOQTGRDYQOHME-JOCHJYFZSA-N 418.320 4.417 0 1 HIAF CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(-c4cccc(Cl)c4)cc23)CC[C@]1(C)N 1772610101 CKMCHFATUIBECF-GCJKJVERSA-N 411.937 4.072 0 1 HIAF CC1(C)[C@H]2CC[C@](C)(O)[C@H](COc3ccc4oc(=O)ccc4c3)[C@]2(C)CC[C@H]1O 2356539086 BVWJOHUOYZAXKK-JLSQMDRSSA-N 400.515 4.136 0 1 HIAF C=CC(C)=CC[C@]1(C)[C@H](C)CC[C@]23C(=C[C@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O 2356582183 CLMGAZWYZXAAJO-DGSJNFDNSA-N 418.530 4.047 0 1 HIAF O=C(Nc1ccc2c(c1)OCO2)c1cc([C@@H]2CCCCN2C(=O)c2ccccc2)on1 61927827 GMSFIMKHGAMVCX-SFHVURJKSA-N 419.437 4.023 0 3 HIAF Cc1nc2cc(NC(=O)C(C)(C)n3cc(-c4ccc5c(c4)OCCO5)cn3)ccc2o1 205214666 WSSPUYUAXTVCOW-UHFFFAOYSA-N 418.453 4.145 0 3 HIAF O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1cccc(C(F)(F)F)c1 9413644 AXGAOBZUHILOCI-GDLZYMKVSA-N 423.391 4.045 0 1 HIAF C[C@H](Cc1cccnc1)NC1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1 12247594 ANKAIHCCFIHLHT-LJQANCHMSA-N 406.574 4.400 0 1 HIAF CN1CCC[C@H]1c1ccc[n+](CCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1 13859940 YNRIULYWTSCHNQ-UIOOFZCWSA-N 408.634 4.056 0 1 HIAF CC(=O)OCC1=CCC[C@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@@H](C)CC[C@]12COC(C)=O 15050811 QFOVBSYLEHDSPP-DFQATESRSA-N 418.530 4.135 0 1 HIAF biogenic Nc1cc(Br)cc(Br)c1Oc1ccccc1CC(=O)O 26400506 ATCDEIYGVZAHIP-UHFFFAOYSA-N 401.054 4.213 0 1 HIAF O=C1N[C@H](c2c[nH]c3cc(Br)ccc23)CN=C1c1c[nH]c2ccccc12 28527462 PEYZIVLALWLEEG-SFHVURJKSA-N 407.271 4.072 0 1 HIAF biogenic CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2c(CCN)cccc21 28952139 LAERIHLTJFLTGC-UHFFFAOYSA-N 419.573 4.329 0 1 HIAF CNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2c(C)cc(C)cc2C)c1 29050526 WHDFRACIXLGXIE-UHFFFAOYSA-N 400.486 4.152 0 1 HIAF O=c1cc(NCCCNCc2cccc(OC(F)(F)C(F)F)c2)[nH]c2ccccc12 45303180 UQKXCYQAGGHQSF-UHFFFAOYSA-N 423.410 4.357 0 1 HIAF CCOc1ccccc1C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCCCC1 72140945 QLUDDTVPEHHTBK-UHFFFAOYSA-N 421.585 4.340 0 1 HIAF COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(-c3ccccc3F)c12 84619147 JCZOIJULGKPMDH-UHFFFAOYSA-N 404.401 4.287 0 1 HIAF COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)[C@@H]2COc3ccccc3O2)cc1 95563178 JCSMWROUIBBVBP-QPPBQGQZSA-N 414.461 4.213 0 1 HIAF CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2OC(C)C)C2=C(O)CCCC2=N1 103539847 CLSCZJJYCNGPLG-JOCHJYFZSA-N 410.514 4.141 0 1 HIAF CC1CCN(c2c(S(=O)(=O)c3ccc(C#N)cc3)cnc3cc(F)ccc23)CC1 137713236 ODFYEAFJPPLJFE-UHFFFAOYSA-N 409.486 4.315 0 1 HIAF O=C(c1cccc(Cl)c1)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 144456985 WXKPDWZORKVOKB-UHFFFAOYSA-N 407.905 4.352 0 1 HIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C(C)C)c2n1CCOC2)c1ccccc1 146104967 JVWIUNXXVRHMMM-NHCUHLMSSA-N 423.557 4.160 0 1 HIAF CNc1nc(Nc2cc(OC)c(-c3cncn3C)cc2Cl)ncc1C(F)(F)F 169704336 BPPFGYXCFXRQAM-UHFFFAOYSA-N 412.803 4.343 0 1 HIAF Cc1cncc(C(=O)Nc2cccc(CN3CCC[C@H](C(=O)NC(C)(C)C)CC3)c2)c1 210578137 WGDZZEMXCRVIRP-FQEVSTJZSA-N 422.573 4.159 0 1 HIAF C[C@H]1[C@H](NC(=O)N2CCC(Oc3ccc(CCC(=O)O)cc3)CC2)[C@H]1c1ccccc1 299869709 VFIRCZMWVUCUDN-VEYWIMSWSA-N 422.525 4.059 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1 586935014 FVNJFZWKIUVEEM-AWEZNQCLSA-N 413.927 4.128 0 1 HIAF COc1cc(Br)c([C@@H](N)c2nc3ccc4c(c3[nH]2)CCCC4)cc1OC 586976608 WOBUOLSJQIKMPI-GOSISDBHSA-N 416.319 4.270 0 1 HIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NCCCc1ccccc1 586988588 NGBGRWFPSPNRRX-UHFFFAOYSA-N 422.484 4.443 0 1 HIAF Cn1nc(-c2nc3ncc(F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130777 QHQJBWZTKCIFFO-UHFFFAOYSA-N 410.359 4.314 0 1 HIAF CCCc1nc(-c2nc3ncc(Br)c(C)c3[nH]2)nn1-c1ccccc1F 587156378 NCFFGXMHKZXBMP-UHFFFAOYSA-N 415.270 4.368 0 1 HIAF COC(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1OC 587164278 ZZWMRRPMKUZPNE-UHFFFAOYSA-N 404.397 4.395 0 1 HIAF C[C@@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174089 MAHZGRZIWKFAFI-KRWDZBQOSA-N 411.177 4.371 0 1 HIAF O=C1C[C@@H](c2c(-c3ccccc3)nn3cc[nH]c(=O)c23)Oc2c1ccc1c2CCCC1 587526677 QQTKXXZSKDFZLQ-FQEVSTJZSA-N 411.461 4.275 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(CN=O)=COc1ccccc12 587743478 WRKVYCLVUGTUDN-JEOXALJRSA-N 403.251 4.409 0 1 HIAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2oc(N)nc2c1 587744765 IKMBBQYXHCTYFC-GIGQVBGESA-N 404.283 4.418 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccc(N)cc3)C2)N1 587745001 IVDRBXAHVMRYMM-RKFVTTHHSA-N 417.322 4.437 0 1 HIAF Cc1nn(-c2ccccc2)c(N)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753254 ATSIIMPOQCZNEK-JEOXALJRSA-N 415.310 4.288 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3cccn3)cc2)N1 587761456 UNXIBPUAAGCXJM-RNODOKPDSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C2\C(=O)N(C)c3ccccc32)N1 587773326 YHKZQRPRMYOFDV-MROAWWQASA-N 415.306 4.398 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587774172 NFPWCFMKVWKHDC-PLQHRBFRSA-N 413.331 4.421 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)sc3c2CCN(C)C3)N1 587853844 OFWGYARAHXHACD-DGIBIBHMSA-N 424.383 4.018 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nn2cnnc2c2ccccc12 587864345 YBPCDKKTXPTRAL-UHFFFAOYSA-N 410.359 4.158 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(c1c(C)[nH]c(C(=O)O)c1C(C)C)N(C)[C@H](C)C2 962641951 YCALJLNJIZOJQR-JCQPUDPBSA-N 400.519 4.302 0 1 HIAF CN1CCc2cn(C)nc2[C@]1(Cc1ccc(F)cc1)c1ccccc1Br 963954087 GPRZKFYTUVUAIQ-NRFANRHFSA-N 414.322 4.296 0 1 HIAF Cc1ccc(-c2cn(-c3ccc(NS(C)(=O)=O)c(Oc4ccccc4)c3)nn2)cc1 1772633788 AHXMOWVFJAOJAJ-UHFFFAOYSA-N 420.494 4.407 0 1 HIAF CCN(CC)C(=O)CC[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O 1857767048 FIJUTOQYZQTJSG-LJQANCHMSA-N 415.896 4.286 0 1 HIAF CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NCC2CCCCC2)cc1 2356826334 HIWCQNFYRRNAEC-GXRSIYKFSA-N 402.535 4.063 0 1 HIAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)CCC[C@](C)([C@@H]2C[C@@H](O)C2(C)C)[C@H]1C3 2356835960 KVWHDTKSQUQVHQ-XVPQLGBTSA-N 414.542 4.401 0 1 HIAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1c(F)cccc1Cl 776898 ODOAOUINKNEWNR-CYBMUJFWSA-N 418.852 4.310 0 1 HIAF CCN(Cc1ccccc1)C(=O)c1cccn2c(=O)c3c4c(sc3nc12)CCCC4 4971762 VFWZFAZSWRZDML-UHFFFAOYSA-N 417.534 4.450 0 1 HIAF OCCCc1nc2n(n1)[C@H](c1cccs1)CC(c1ccc(Br)cc1)=N2 13122207 UOOFDBNMYGMEII-HNNXBMFYSA-N 417.332 4.141 0 1 HIAF COc1ccc2[nH]cc(CCCCN3CCN(c4ccc(NC(C)=O)cc4)CC3)c2c1 13582392 BXMULCSTOJNWHO-UHFFFAOYSA-N 420.557 4.280 0 1 HIAF O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCCc1ccc(F)cc1 13648551 DTTQTDUZOHHUFF-SDHSZQHLSA-N 405.513 4.308 0 1 HIAF O[C@H](Cc1ccc(Br)cc1)CN1CCC2(CCc3ccccc32)CC1 13766744 HCSIFMJMQWPSRN-HXUWFJFHSA-N 400.360 4.333 0 1 HIAF O=C(O[C@@H]1CCCN(Cc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 13835338 DYTJZBGUAADDIX-XMMPIXPASA-N 401.506 4.130 0 1 HIAF O=C(O)[C@@H]1CCCN(CCOCCCN2c3ccccc3CCc3ccccc32)C1 13863094 AIHJCKMMAOEQKB-JOCHJYFZSA-N 408.542 4.127 0 1 HIAF COc1ccccc1N1CCN(C[C@H](C)Nc2nc(C3CC3)nc3ccccc23)CC1 29127227 DVJBHFKQRUZCLO-SFHVURJKSA-N 417.557 4.138 0 1 HIAF O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc1 40391492 GPISTKPIQBYKBI-VXKWHMMOSA-N 422.912 4.281 0 1 HIAF CC[C@H](C)c1cccc([C@H](C)CC)c1OCCCON1C(N)=NC(N)=NC1(C)C 45231035 IJXIFTDGYSIUJH-IYBDPMFKSA-N 403.571 4.095 0 1 HIAF COc1ccc(N(C(C)=O)C(C)C)c2sc(NC(=O)c3ccc(F)cc3)nc12 53247008 UEODHLNAHRLVRV-UHFFFAOYSA-N 401.463 4.458 0 1 HIAF FC1(F)Oc2ccc(Nc3nnc(-c4cccnc4NCc4ccncc4)o3)cc2O1 66113782 UUWCZQYGBSUBRG-UHFFFAOYSA-N 424.367 4.204 0 1 HIAF CCCn1c(CN2C(=O)COc3c(C)cc(C)cc32)nnc1C1Cc2ccccc2C1 71410596 AISQZZOMEDBDQL-UHFFFAOYSA-N 416.525 4.113 0 1 HIAF C[C@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 95557217 CAAWJPKOKADKRS-PSWAGMNNSA-N 414.682 4.395 0 1 HIAF CC(=O)N1C[C@H]2C[C@@H]1CN2Cc1cc2ccc(Oc3nc4cccnc4s3)cc2o1 95593722 QWVGJGRTJOMOTI-HZPDHXFCSA-N 420.494 4.035 0 1 HIAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2cc(C)ccc2OC)nn1C 103173289 IYJJUTJGZBKLDT-HMMYKYKNSA-N 422.481 4.143 0 1 HIAF COc1cc(CN2C(=O)C[C@@H](C3c4ccccc4-c4ccccc43)C2=O)cc(OC)c1 103278050 XDCHIJHVQJOFTE-QHCPKHFHSA-N 413.473 4.391 0 1 HIAF CC(C)Cn1cc(-c2cc(C(N)=O)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144919058 WFQLGCUCERCFQY-OAQYLSRUSA-N 415.415 4.084 0 1 HIAF N#Cc1ccc(CNc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1 148704594 CGLZEAOJMVZEMM-UHFFFAOYSA-N 405.465 4.353 0 1 HIAF CC(C)Cc1ccc([C@@H](C)C(=O)O[C@]23[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@@H]2[C@H]7[C@@]2(OCCCN23)[C@@H]46)cc1 169299190 RQXVHLUYOBCSQY-YTHUBRTJSA-N 419.565 4.048 0 1 HIAF COCc1c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)n[nH]c1C 219098327 YIIRTTVTQSUELO-UHFFFAOYSA-N 414.509 4.260 0 1 HIAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CNc2n[nH]c3c2CCCC3)CC1 261103319 GYIYCRBGKVNKFJ-KOMQPUFPSA-N 401.942 4.046 0 1 HIAF Cc1ccc(C2=Nc3c(N)nc(N)nc3N[C@H](c3sc(Cl)nc3Cl)C2)cc1 299857428 CVQVOLROAKZJSQ-JTQLQIEISA-N 420.329 4.390 0 1 HIAF O=C(Nc1ccc(Cc2nc3cccc(O)c3[nH]2)cc1)c1ccc(Br)o1 587007393 KGCCDBKBKYSAIT-UHFFFAOYSA-N 412.243 4.467 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3cccc(F)c3[nH]2)[C@H]1c1ccccc1Cl 587061571 NNKSDJHXLQXIEA-VBKZILBWSA-N 401.869 4.449 0 1 HIAF O=S(=O)(c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1)C(F)(F)F 587160863 GOUNVWZINDXEPG-UHFFFAOYSA-N 423.185 4.425 0 1 HIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587204571 XDTITMPTYJJUMM-UHFFFAOYSA-N 420.448 4.405 0 1 HIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587247390 KZTJIORAQXPABN-UHFFFAOYSA-N 409.467 4.224 0 1 HIAF CCOC(=O)C[C@]1(c2cc(F)c(F)c(C)c2F)CC(=O)c2cc(C)cc(N)c2O1 587380719 BZHWGCCFDRJMCY-NRFANRHFSA-N 407.388 4.117 0 1 HIAF O=C1C[C@]2(CCS(=O)(=O)c3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587532401 QKXXEGSJVRGWDD-NRFANRHFSA-N 402.899 4.257 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585343 CHJNZKCADMDFMA-JNMUUFBJSA-N 423.465 4.264 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)n(C)n2)N1 587712267 KHAOLBQZWJNHJD-AYVTZFPOSA-N 406.221 4.138 0 1 HIAF CCN(c1ccc(-c2csc(COc3ccc(F)cc3F)n2)cc1)S(C)(=O)=O 587922654 GKIFSPQEHGMAJT-UHFFFAOYSA-N 424.494 4.453 0 1 HIAF CS(=O)(=O)c1cc(Cl)ccc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962996278 IMAWQQCJWHSOBE-FQEVSTJZSA-N 418.971 4.348 0 1 HIAF Cc1cc([C@]2(c3ccc(F)c(F)c3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccn1 963028437 PCOVOVWVFUKRIA-OWJWWREXSA-N 405.448 4.013 0 1 HIAF O=C(O)c1cc(-c2ccccc2)c(-n2cccc2)c(I)c1O 1857749033 SKPWJLKOTXYWOP-UHFFFAOYSA-N 405.191 4.153 0 1 HIAF O=C1NC(=O)[C@H](Cc2ccc(OCCn3ccc4ccc(Cl)cc43)cc2)S1 1857751554 JYYGYBWGUKAOMM-SFHVURJKSA-N 400.887 4.268 0 1 HIAF C[C@@H]1CC[C@]23C[C@]2(C)CCC[C@@H]3[C@]1(C)CCC1=CC[C@H](C2=CC(=O)O[C@@H]2O)O[C@@H]1O 2356834029 KLHOXCHSZPBBBC-JQSPYEQWSA-N 416.558 4.235 0 1 HIAF Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1nccn1C 13682462 KLPUKKUVWYVFNL-UHFFFAOYSA-N 402.376 4.252 0 3 HIAF CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2cc(C)ccc2C)CC1 95569956 XJVDTULWVAGZFV-HSZRJFAPSA-N 404.562 4.002 0 3 HIAF CCS(=O)(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 592657 MRVDHPOBOZPWHI-UHFFFAOYSA-N 402.947 4.081 0 1 HIAF CCCN(CCCCNC(=O)c1ccc(F)cc1)[C@@H]1COc2cccc(OC)c2C1 13737107 DDRVCPLCPBHTHJ-FQEVSTJZSA-N 414.521 4.060 0 1 HIAF CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cc3ccccc3s2)c1=O 25426989 OUYKVMAQWCPAEQ-WBVHZDCISA-N 407.539 4.267 0 1 HIAF biogenic C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C 28331450 RSDPLFJFCIEHAP-JPYJTQIMSA-N 422.573 4.069 0 1 HIAF O=C(NCc1ccc(F)cc1)[C@H]1OC(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 29130196 PVWVHFCIONOZLH-RTWAWAEBSA-N 424.403 4.053 0 1 HIAF O=C(Nc1c(O)cccc1-c1nc2c(C(=O)O)cccc2o1)c1cccnc1Cl 40379759 VDJBBACIVSERLX-UHFFFAOYSA-N 409.785 4.199 0 1 HIAF COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 40955913 DSZAPUPSEUYRJU-HSZRJFAPSA-N 419.521 4.023 0 1 HIAF COC(=O)c1ccc2c(c1)nc(-c1ccc(N)cc1)n2CCc1ccc(OC)cc1 43017164 IJKZFYVSXNOTRN-UHFFFAOYSA-N 401.466 4.323 0 1 HIAF COc1cc(NC[C@H](O)CNc2cc(Cl)nc3ccccc23)nc2ccccc12 45202133 KTHFNEWXEHBINF-CQSZACIVSA-N 408.889 4.330 0 1 HIAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)NCC2CCCCC2)cs1 82070580 RBKIFFXWSBMSCS-HNNXBMFYSA-N 415.559 4.024 0 1 HIAF CN(C(=O)c1c(O)c2c(Oc3ccc(F)cc3)cccc2n(C)c1=O)c1ccccc1 100817537 OZIUKJSTHJZOQG-UHFFFAOYSA-N 418.424 4.452 0 1 HIAF C[C@H](OCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(F)[C@H](O)C3)CCC[C@]12C 102194776 IWGFRYMZFYVCFY-NAKGWTQESA-N 424.597 4.475 0 1 HIAF Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1 144371230 LTXJULOSIPKSDB-URLQWDBASA-N 419.378 4.497 0 1 HIAF N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)cc1Cl 219541466 IPUAQLCJBQAUNV-UHFFFAOYSA-N 416.871 4.133 0 1 HIAF Cc1cc(C)cc([C@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)c1 299828112 GWYITMXKBHRSJF-NRFANRHFSA-N 409.530 4.102 0 1 HIAF CSc1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 586943192 XQFAMVVNSKRRKX-UHFFFAOYSA-N 416.355 4.113 0 1 HIAF Fc1cc(Br)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005869 XIRFFBFNCNWPIR-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 587044063 YIKJQLOEENHQBN-CQSZACIVSA-N 422.293 4.312 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(C[C@H](N)c3ccccc3Cl)nc2c1 587057870 SHIKLCBXNFNQFV-ZDUSSCGKSA-N 408.683 4.008 0 1 HIAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(C(C)(C)C)c2[nH]1 587128659 ONZMKLKMYCPWIX-UHFFFAOYSA-N 417.435 4.284 0 1 HIAF Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2n1 587140511 BLFJZHIDDAVLLF-UHFFFAOYSA-N 400.410 4.012 0 1 HIAF COC(=O)c1ccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2n1 587145398 VTDXARASHQDTAY-UHFFFAOYSA-N 405.385 4.224 0 1 HIAF Fc1cc2[nH]c(-c3ccc4ncc(I)n4c3)nc2cc1Cl 587187412 HCGKWRFEPANBML-UHFFFAOYSA-N 412.593 4.275 0 1 HIAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)cc(Br)c2[nH]1 587225322 POWFQCVJRZEPOQ-SNVBAGLBSA-N 408.683 4.063 0 1 HIAF CCOC(=O)c1[nH]c2c(c1C)[C@]1(CC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436816 BFFGXVJLCDDQQJ-OYLFLEFRSA-N 409.482 4.124 0 1 HIAF CN(C)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572700 PXTQIISTBHOQMQ-ZJSXRUAMSA-N 405.450 4.036 0 1 HIAF CC1(C)C(=O)Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587597458 UPHIVSSFEKUXHN-NBGIEHNGSA-N 415.445 4.499 0 1 HIAF CCOC(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C(=O)O)cccc12 587637160 CSTOEKAPZVOPPT-UHFFFAOYSA-N 405.328 4.298 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2Br)N1 587680358 PNODDUGTDNLJOR-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587734813 WCVGPYGFBYRPOS-ODXCJYRJSA-N 424.285 4.458 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)C(Br)=C2F)N1 587739263 UXYVSQKCWHADMU-VXJOIVPMSA-N 420.095 4.310 0 1 HIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1-n1cncn1 587762059 WXEDGHXJRFHHCI-HXPMCKFVSA-N 401.283 4.101 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3cccn3)cc2)N1 587762638 YTFPOEKZIJDELS-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF COCCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587789769 CPHCOSAPALFIMU-XCLFUZPHSA-N 408.311 4.411 0 1 HIAF CCN(C(C)=O)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587853062 ORPVSZOWTNNSCQ-XXFAHNHDSA-N 412.328 4.041 0 1 HIAF CCOC(=O)c1csc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587854250 SJKYBZJVLSSNML-HUTHGQBESA-N 413.312 4.019 0 1 HIAF NC(=O)c1cccc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1 653886970 SOZCVVWRGJYGHC-UHFFFAOYSA-N 422.356 4.074 0 1 HIAF COc1cc2c(cc1OC)[C@H](c1ccc(-n3cnc(C)c3)c(OC)c1)N(C)[C@H](C)C2 962629848 QENPYTAYPDGSLE-GYCJOSAFSA-N 407.514 4.172 0 1 HIAF Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(F)cc3)C2)nnc1-c1cccnc1 1772586894 JGGOHKJHMHHQML-OFNKIYASSA-N 423.561 4.378 0 1 HIAF CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 1772605749 ZYDSDRZMIWGATN-JKSUJKDBSA-N 414.945 4.068 0 1 HIAF Brc1ccc(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)cc1 1857554680 GRQYAAIPYMVWCZ-UHFFFAOYSA-N 408.303 4.069 0 1 HIAF COc1ccc2c(c1)CC[C@H](C[C@@H]1C=CN(Cc3ccccc3C)C=C1C(N)=O)C2=O 1857633347 TUALDOHFKJXKNG-VQTJNVASSA-N 416.521 4.154 0 1 HIAF Cc1cccc(N2CCN(c3ccc4[nH]c(=O)c(-c5ccccc5)nc4n3)C[C@@H]2C)c1 4035978 FNJHWBJMMBFIII-SFHVURJKSA-N 411.509 4.009 0 1 HIAF O=C(COc1ccccc1Cl)N1N=C(c2ccccc2)C[C@@]1(O)c1ccccc1 5807967 YOYPQYYIQSJLJH-HSZRJFAPSA-N 406.869 4.201 0 1 HIAF CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN(C)C)cc1 13451405 SPMWKTGMLCBABN-UHFFFAOYSA-N 400.544 4.226 0 1 HIAF Cc1cc(C(=O)Nc2ccc(C)c(N3CCN(C)CC3)c2)ccc1Br 13779302 YYJIQHFSSLTJFB-UHFFFAOYSA-N 402.336 4.070 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(O)c1 26962251 NOUYCYGNOBPMES-GSVKBTKASA-N 408.542 4.244 0 1 HIAF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(Cc2c[nH]c3ccccc23)CC1 27984885 VXZCZEJFWDDNBU-UHFFFAOYSA-N 419.525 4.119 0 1 HIAF COc1ccc(N(C(=O)c2ccccc2)[C@H](C(=O)O)c2ccccc2F)c(OC)c1 40892104 TZZJPGZBPAUZGE-NRFANRHFSA-N 409.413 4.316 0 1 HIAF Cn1c(=O)c(Nc2ccc(F)cc2F)cc2cnnc(-c3ccc(F)cc3F)c21 64426562 VOTZULFLTVONLH-UHFFFAOYSA-N 400.335 4.296 0 1 HIAF COC(=O)[C@@]1(C)C=C[C@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F 72137779 PZNMCEPHIVAKBR-YNZJMPHRSA-N 420.225 4.019 0 1 HIAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2ccc(F)cc2)C1 82139570 SVQHPWZEKNKKKN-IRXDYDNUSA-N 414.525 4.382 0 1 HIAF COc1ccc(NC(=O)c2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 96933403 CGEGILNKWHABIV-UHFFFAOYSA-N 405.163 4.316 0 1 HIAF Cc1ccc(-c2nc(COc3ccc([C@H]4CO[C@@](C)(C(=O)O)OC4)cc3)c(C)o2)cc1 101677564 NWCXSHBSCAJVKL-OGAOHHHESA-N 423.465 4.469 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cc(N)ccc1OC(F)F 101724209 RRHOGZCQDLRHDJ-XMGGNUPJSA-N 410.417 4.072 0 1 HIAF O=C(c1cccc(Cl)n1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 115657505 NZYPCLMJJXJKPY-QFIPXVFZSA-N 424.287 4.201 0 1 HIAF CC(C)CCNCc1nc(-c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)no1 167394961 NDHCUKZOKBJLPI-UHFFFAOYSA-N 405.502 4.420 0 1 HIAF Cc1ncc(C(=O)N[C@@]23CCC[C@](NC(=O)c4cccc(Cl)c4)(CC2)C3)s1 169710855 PLUGGALXTRCKCA-PMACEKPBSA-N 403.935 4.110 0 1 HIAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([C@@H](c2ccc(Cl)cc2)C(F)F)CC1 207114072 KSXBFKHWLTYGHZ-MRXNPFEDSA-N 417.909 4.130 0 1 HIAF O=S(=O)(Nc1ncccn1)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 207640595 SWIJALBAXYRKES-UHFFFAOYSA-N 411.874 4.223 0 1 HIAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc([C@H](O)Cc3ccc(Cl)nc3)cc2n1 221614171 CWRYRTIWJWUWEF-OAQYLSRUSA-N 421.859 4.464 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C[C@@H]2CCCC[C@@H]21 586957442 AMVXVENTRRREHJ-WVFSVQOHSA-N 421.526 4.134 0 1 HIAF COc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 586961701 SMZDZEHPIUIGJZ-LPTQZCDUSA-N 411.527 4.266 0 1 HIAF CCOc1cc2oc(=O)c(-c3nc4c(C)cncc4[nH]3)cc2cc1Br 587001216 XBWBOGUEYHBWLQ-UHFFFAOYSA-N 400.232 4.201 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)O2 587373784 SRGLCWVEUPCRIU-QGZVFWFLSA-N 415.704 4.349 0 1 HIAF COC(=O)C[C@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381450 JCTBSDOTQMSJAP-FQEVSTJZSA-N 407.388 4.106 0 1 HIAF COc1ccccc1-n1nccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583041 SYLNQYCEYYFLIX-QPPBQGQZSA-N 414.417 4.289 0 1 HIAF Cc1noc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587585304 DAKAVFNJSPKCHQ-SIKLNZKXSA-N 400.390 4.454 0 1 HIAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605996 CPTUVANJYSXMPQ-QGENPCKLSA-N 408.450 4.394 0 1 HIAF Cc1ccc(-c2noc(-c3cccnc3-n3ncc4ccc(Cl)cc4c3=O)n2)cc1 587653250 UNTLIKJSXISWPE-UHFFFAOYSA-N 415.840 4.460 0 1 HIAF COc1ccccc1N1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587765814 DLLWQHYIHRBFFC-XCLFUZPHSA-N 405.311 4.237 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOC3=O)cc2)N1 587769885 ZQSKANPUBOLBNZ-ODXCJYRJSA-N 419.294 4.343 0 1 HIAF Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)cc1F 653696822 DPKZMZJVMDJIQE-UHFFFAOYSA-N 415.833 4.297 0 1 HIAF Cc1c(C2CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cn12 653716337 KFXPJPDEXBORLL-UHFFFAOYSA-N 405.376 4.436 0 1 HIAF CCN1C(C)=C[C@@]2(c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c2cc(C(=O)O)ccc21 962633986 POIAVLBQTSPOOU-SGANQWHYSA-N 422.525 4.266 0 1 HIAF CCOC(=O)c1sc(SC)c([C@]2(C)NCCc3c2c(C(C)C)nn3C)c1C 962918033 MPUGNDQGRZPLLV-FQEVSTJZSA-N 407.605 4.221 0 1 HIAF CON/C=C/[C@]1(c2ccc(OC)cc2)c2ccsc2CCN1Cc1cccnc1 962993550 JLCCAOUKEWVAOQ-BWSGXRDBSA-N 407.539 4.118 0 1 HIAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCN(C(=O)OC(C)(C)C)C[C@@H]2OC(C)=O 963233977 DQFWGSZEWZOGKT-GQOCTPOGSA-N 416.562 4.111 0 1 HIAF C[C@H]1c2ccnnc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772580156 HWAVFSHXEYWHQR-MOPGFXCFSA-N 401.514 4.158 0 1 HIAF O=C(Nc1cccc2cccnc12)c1ccc([C@H]2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 1857772021 LCGPTLVHGJYCAG-NSFFCOSOSA-N 408.457 4.161 0 1 HIAF COc1ccc2nc(C[C@@H]3CN(CCCc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356500443 VUJWTLHRBCAGQG-WOJBJXKFSA-N 421.541 4.160 0 1 HIAF CC=CC=CC=CC(=O)O[C@@H]1C[C@H](C(=O)O)[C@H](C(=O)O)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356850045 PNSRNDBLICHUMY-NMNPZVDOSA-N 404.503 4.225 0 1 HIAF O=S1(=O)c2cc(Cl)ccc2N2CC[C@H](C2)N1Cc1ccc(Cl)c(Cl)c1 96021168 LKWHWUUGPHPQGI-CYBMUJFWSA-N 417.745 4.430 0 3 HIAF CCCCCCc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 13725120 SRAYUFAGOZRLIA-IBGZPJMESA-N 407.474 4.087 0 1 HIAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccccc1OC)CCCCC3 13837601 XLMIDAUGLPRGAE-FQEVSTJZSA-N 408.498 4.303 0 1 HIAF Cn1nnc2c(N[C@H]3CCOC(C)(C)C3)nc(Cc3ccc(Cl)cc3Cl)nc21 20444094 YOZQCENLPQBWHL-ZDUSSCGKSA-N 421.332 4.025 0 1 HIAF CONc1cccc(C(=O)Nc2cccc(Cc3nc4scc(C)c4c(=O)o3)c2)c1 26837578 ZGCPVAZVXBWXBV-UHFFFAOYSA-N 421.478 4.374 0 1 HIAF Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(-n3ccccc3=O)cc2)nc1 29047130 ZFPUCLYZJOMSRT-UHFFFAOYSA-N 424.460 4.046 0 1 HIAF CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CCC(=O)C[C@@H](O)CC(=O)O)[C@H]12 29551902 OOKAZRDERJMRCJ-MRWITBCHSA-N 422.562 4.004 0 1 HIAF in-vitro COc1cccc2c(C3=C(c4cn(C)c5cc(Cl)c(F)cc45)C(=O)NC3=O)coc12 40423854 IATKMBHPUAENLP-UHFFFAOYSA-N 424.815 4.293 0 1 HIAF CCN(CC)c1nc(Cl)nc(NCCNc2cnc3cc(Cl)ccc3c2)n1 45354556 CFLANVHFDBLMCE-UHFFFAOYSA-N 406.321 4.097 0 1 HIAF CCCCCc1cc2c(c(C(=O)NC(CO)CO)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 45371956 UKUPLUXNDHTNBT-TZIWHRDSSA-N 415.574 4.113 0 1 HIAF CCn1c(=O)n([C@@H]2CCN(C[C@H]3CCCCC34CCC4)C[C@H]2CO)c2ccccc21 96902405 IBFLFMANOOXUDC-PWRODBHTSA-N 411.590 4.039 0 1 HIAF O=C(O)[C@H]1CCCN(CCO/C=C\c2cc(F)ccc2Cc2ccc(F)cc2)C1 96923951 JRTSDOUKJZFNHI-DBBZSVRUSA-N 401.453 4.340 0 1 HIAF CC(=O)N1N=C(c2ccccc2Br)C[C@@H]1c1cc(N)c(O)c(Cl)c1 96934804 LVZLFLVTXYRPFO-MRXNPFEDSA-N 408.683 4.088 0 1 HIAF COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)nc(Cl)c2)C=C1C 103277993 LUIBXSKYPQAXSP-OAQYLSRUSA-N 419.308 4.481 0 1 HIAF CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(Br)cc1 104116418 BFNHUXJWSPRTLG-DPEHCCBOSA-N 406.284 4.107 0 1 HIAF Cc1ccc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)cc1Cl 220245607 LMJONODLNWDZEG-UHFFFAOYSA-N 421.931 4.436 0 1 HIAF CO[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 255218095 HNYWCLCFGNCFCF-NBIWPNPESA-N 420.590 4.152 0 1 HIAF CN1C2=NCCCN2C(=O)c2cc(OC(=O)Nc3ccc(C(C)(C)C)cc3)ccc21 299829851 MPIQCKCYQIBHGA-UHFFFAOYSA-N 406.486 4.247 0 1 HIAF CCOC(=O)[C@@H](F)[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586987153 UCBHECVQILAERN-FPTDNZKUSA-N 405.425 4.473 0 1 HIAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cncc(OC)c4[nH]3)nc2n1 587115330 UFEVPSDWKVHCAS-UHFFFAOYSA-N 422.436 4.432 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)c(F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587240459 UAYAQMFOXCKYRO-VQDICGIKSA-N 407.461 4.396 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(OC(F)(F)F)cccc12 587501096 ACWIPLNCKFPGSW-HXUWFJFHSA-N 403.356 4.277 0 1 HIAF COC(=O)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550279 WJPPCGOUMULXHC-NZQKXSOJSA-N 424.836 4.466 0 1 HIAF COC(=O)CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591063 FQMUAFJKQGHVAP-ZJSXRUAMSA-N 404.418 4.203 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)nn2C)N1 587723771 XVCYLDBHUTYRQJ-ANRSDYALSA-N 406.221 4.138 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cnccn2)N1 587730990 GMMIKACYQXYHJH-FKIZINRSSA-N 416.269 4.343 0 1 HIAF COC(=O)c1cccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587802307 KZEAGEYMYJIZGE-APBUJDDRSA-N 417.278 4.480 0 1 HIAF COCOc1ccc(OC)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587804272 DHRLFBVOWARZIU-NSPYISDASA-N 410.283 4.203 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2N2CCSCC2)N1 587854775 GWJDYMZKBXIWAF-ZNZDAUKMSA-N 413.400 4.309 0 1 HIAF CC(C)(C(=O)Nc1cnc2ccccc2c1)n1cc(-c2ccc3c(c2)OCO3)cn1 618008052 JDCQMHKMXWYIPO-UHFFFAOYSA-N 400.438 4.201 0 1 HIAF CCOC(=O)CCCC[C@]1(c2cc(F)c(F)c(F)c2F)NCCc2c(C)ccnc21 963072731 URRFVNJVIKLKNV-JOCHJYFZSA-N 424.438 4.459 0 1 HIAF COc1ccc(OC[C@@H]2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)c(F)c1F 1911577238 QDODESOGZNODNS-YOQPTCTGSA-N 417.496 4.115 0 1 HIAF Cc1ccc([C@@H]2C[C@@H](N3CCN(CCO)CC3)c3cc(C(F)(F)F)ccc32)cc1 28019680 WVNCSRDASRXVLR-RBBKRZOGSA-N 404.476 4.200 0 1 HIAF Oc1cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc2n1 36126676 SNBBROUTMGTRAU-UHFFFAOYSA-N 411.889 4.399 0 1 HIAF Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)co1 82069742 NMAKEAHPHUOCHJ-UHFFFAOYSA-N 415.449 4.103 0 1 HIAF CC(=O)NCCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc(C)c2)n1 82173862 NCJUXVZWBYDKLA-UHFFFAOYSA-N 403.511 4.277 0 1 HIAF O=C(NCc1ccccc1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cccc(F)c2)cs1 82192233 CSWZTVKQFWEYPC-IBGZPJMESA-N 421.501 4.012 0 1 HIAF COc1ccc(-n2c(S[C@H](C)C(=O)Nc3cc(C)nn3C)nc3ccccc32)cc1 84587911 UGOKGQWAQPCCOX-OAHLLOKOSA-N 421.526 4.195 0 1 HIAF COc1ccccc1OCCNC[C@H](O)COc1ccc2oc3ccccc3c2c1 96939629 NVGDCOVCTGDPOD-KRWDZBQOSA-N 407.466 4.003 0 1 HIAF CCOC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cccc(OC)c1 100705507 PQZUOMBINYBFLR-CYBMUJFWSA-N 423.494 4.283 0 1 HIAF COc1ccc2c3c1O[C@H]1[C@]4(OC)C=C[C@@]5(C[C@@H]4c4ccccc4)[C@@H](C2)N(C)CC[C@]315 101308891 QMPVAJYKJRMMQD-FGYBOQAASA-N 415.533 4.083 0 1 HIAF Cc1nn(-c2ccc(Br)cc2)c(C)c1CC(=O)c1cc(O)ccc1O 103289433 GYGWZXNSIUJGMP-UHFFFAOYSA-N 401.260 4.088 0 1 HIAF Cc1cccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3nncc-3c2O)c1 103893126 NSSXVEGKRIXBLM-UHFFFAOYSA-N 419.510 4.129 0 1 HIAF CC(C)(NC(=O)c1ccc2c(c1OCCCOc1ccccc1)CCCC2)C(=O)O 140741239 MFKVYLDQHQTTEG-UHFFFAOYSA-N 411.498 4.006 0 1 HIAF CC(C)CC[C@H](C)N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2 143913489 BMMCGTZHEIYFQS-INDMIFKZSA-N 411.546 4.477 0 1 HIAF C[C@@H](Oc1cc(-c2ccc(OC3CCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 147821658 XRYQZJKKWOKJRI-CRAIPNDOSA-N 403.482 4.132 0 1 HIAF Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)c1 226067086 WKSFERSMQSQZQP-MDKPJZGXSA-N 418.472 4.058 0 1 HIAF Cc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Br 586967265 SLDCGXUFLKVTSA-UHFFFAOYSA-N 402.277 4.371 0 1 HIAF Cc1ccnc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc12 587006777 BJPMKKFUTUEYIR-UHFFFAOYSA-N 411.259 4.465 0 1 HIAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587091049 GQZJDCJXZPOPBG-GFCCVEGCSA-N 419.285 4.309 0 1 HIAF CCOC(=O)C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338940 PARDHBIDGLCXNQ-LADGPHEKSA-N 421.424 4.134 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)([C@H]1CC[C@H](C(=O)O)CC1)[C@@H](C2)C3=O 587427088 GSTSJWSSBNZSPA-KCNDGJGISA-N 410.441 4.368 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(C(=O)O)N1 587735136 PLMMALNVLHOTDI-UGLGROFFSA-N 408.242 4.255 0 1 HIAF Cc1cccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587746245 ZIIAJUGBIJSRRL-BLVKFPJESA-N 406.299 4.070 0 1 HIAF CCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)ccc21 587769269 AEEOKJZVVRSZKU-ODXCJYRJSA-N 403.295 4.041 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)s2)N1 587850312 YLYAQKFUDVTVOU-ADLMAVQZSA-N 411.340 4.110 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 587872066 INNLDGVAYDQIIC-QGZVFWFLSA-N 407.445 4.090 0 1 HIAF N=C(N)N1CCC[C@H]1c1nc(-c2ccc3cc(OCC4CCCC4)ccc3c2)no1 653884780 WSQXFPBZSCDUFK-FQEVSTJZSA-N 405.502 4.489 0 1 HIAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CF)(c2ccc(Cl)cc2)N1 962708425 ZASFTWNHLZELLX-WBVHZDCISA-N 405.750 4.310 0 1 HIAF COc1ccccc1[C@]1(c2ccccc2C)NCCc2ccc(C(=O)N(C)C)cc21 962928969 VBXQJRLOOVFSFQ-SANMLTNESA-N 400.522 4.143 0 1 HIAF Cc1nc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)s1 963183192 SNLXDJUNDWPUPZ-ZBEGNZNMSA-N 404.841 4.295 0 1 HIAF COc1cccc([C@@]2(C)CCN([C@H](C)c3nc(O)c4cnn(C5CCCC5)c4n3)C2)c1 1772592494 KQKSCUBNEPYAIR-GYCJOSAFSA-N 421.545 4.380 0 1 HIAF CCC[C@@H](CC)NC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3nc(C)c(O)c(C)c32)c1C 1857772219 VJEGOUCOCYFVAM-CCAPLTMGSA-N 410.518 4.150 0 1 HIAF CCCCC[C@@H](C[C@H](CCc1ccc(O)c2c1CCCO2)OC(C)=O)OC(C)=O 2356366983 UFKMIQCPIRYOCT-PMACEKPBSA-N 406.519 4.484 0 1 HIAF CCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2ccccc2OC)on1 36384183 WDCZCAKQTIGYRP-UHFFFAOYSA-N 416.481 4.087 0 3 HIAF COc1ccccc1CNC(=O)Nc1nc([C@H](N)Cc2ccc(Cl)cc2)cs1 61904810 KPTXFSOWTSTPTR-MRXNPFEDSA-N 416.934 4.369 0 3 HIAF CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1OCC 4041431 SZXKLVMWMRMFHG-JTHBVZDNSA-N 409.530 4.159 0 1 HIAF COC(=O)[C@@H](CC(C)C)NC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 8235565 AXMNLQUNLQYJBW-LJQANCHMSA-N 408.454 4.169 0 1 HIAF biogenic O=C(Nc1ccc(Cl)cc1)N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O 13732588 REOVDJIBQLUDPV-FQEVSTJZSA-N 422.847 4.416 0 1 HIAF CC(=O)Nc1nc2nc(C)nc(NC(C)=O)c2cc1-c1c(Cl)cccc1Cl 27330713 BJJIOPCPZKAUBV-UHFFFAOYSA-N 404.257 4.224 0 1 HIAF O=C(Nc1nc(-c2ccc(F)cc2F)ns1)c1ccc(Nc2ccncn2)cc1 28953154 JVVLJEGPVMDUKW-UHFFFAOYSA-N 410.409 4.269 0 1 HIAF Fc1ccccc1-c1cc(NCOc2cccnc2)n2ncc(Br)c2n1 28959127 ZJPTYSOMOUSPHW-UHFFFAOYSA-N 414.238 4.141 0 1 HIAF C[C@H]1CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC[C@@]12C=Cc1ccccc12 36348413 MKYSQFPCLREISL-PZVOEZMOSA-N 413.583 4.018 0 1 HIAF O=C(Nc1ccc(F)c(-c2nc3cc(-c4cccnc4)cnc3[nH]2)c1)N1CCCC1 103271545 LWIVLKBETHBLLQ-UHFFFAOYSA-N 402.433 4.454 0 1 HIAF CC1(C)Cc2c(Br)c(Br)c(Br)c(O)c2O1 103277564 HFUKPEFZPDENLM-UHFFFAOYSA-N 400.892 4.393 0 1 HIAF CS(=O)(=O)c1ccc(O[C@H]2c3cc(Cl)cc(F)c3C[C@@H]2N2CCCC2)cc1 118256772 OJFZWWTXZDESSH-PMACEKPBSA-N 409.910 4.023 0 1 HIAF Cc1cc(Nc2cc(C3CC3)n[nH]2)nc(NCCc2cc(-c3ccccc3)no2)n1 142021339 NYBJIHKXZCQUNO-UHFFFAOYSA-N 401.474 4.439 0 1 HIAF CC(C)c1ccc2[nH]c(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)nc2c1 147713094 JFAVSLBFCQNZJF-UHFFFAOYSA-N 401.470 4.027 0 1 HIAF CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@H]1c1ccc(Cl)cc1 198497912 IJAKDSXXAILQSP-ACRUOGEOSA-N 416.953 4.265 0 1 HIAF Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nc(C)n2)n(C)n1 205833828 ZWRMYOXRFVPNCH-QUCCMNQESA-N 414.513 4.170 0 1 HIAF CC1=N[C@]2(N=C1N)c1cc(OCCCF)ccc1CC21CCC(OC(C)C)CC1 210612833 MNSXGYMIYOIUBX-CKRJSAQMSA-N 401.526 4.320 0 1 HIAF O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1C[C@@H]2CC[C@H](C1)N2c1ncccn1 299835859 YUHUOLOVNSFCND-OYRHEFFESA-N 404.901 4.290 0 1 HIAF COC(=O)c1cc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2cc1OC 587018125 WHSBSMDVSLNXAV-UHFFFAOYSA-N 407.451 4.084 0 1 HIAF CCOC(=O)C(C(=O)OCC)c1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098397 RBBSYWVLWMRRHO-UHFFFAOYSA-N 417.461 4.273 0 1 HIAF N[C@@H](Cc1nc2cccc(Br)c2[nH]1)c1ccc(Br)cc1F 587142723 MBUUJXGWBLNDRJ-LBPRGKRZSA-N 413.088 4.470 0 1 HIAF CCn1ccc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587338264 CASBOVVFZBBXFM-UKSQEYPKSA-N 421.472 4.077 0 1 HIAF C[C@@H]1Nc2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O 587343752 DIVCBXGXHJANCV-ARBTULSASA-N 403.409 4.169 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1nc(N(C)C)n(-c4ccccc4)c1Cl)[C@@H](C2)C3=O 587422949 RSGKUZFVWWNCGB-MGPUTAFESA-N 409.873 4.089 0 1 HIAF COC1=C(Br)[C@@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587542552 HLMNIOXSHHYYIZ-KXBFYZLASA-N 403.228 4.139 0 1 HIAF O=C(O)Cc1c(-c2cc(F)ccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622662 QWYWPEGPYVEZQV-UHFFFAOYSA-N 406.186 4.379 0 1 HIAF C[C@@H](NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1ccccc1 587656533 MSEWVTAQKJFHDA-OAHLLOKOSA-N 419.431 4.333 0 1 HIAF CC(=O)C[C@@]1(C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587710887 UWWOEJQXUKCEPV-WPPNPWJKSA-N 418.175 4.494 0 1 HIAF COc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587739187 GJKMIVUZMHPCLG-KVFCPIJKSA-N 419.338 4.450 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)CCC(=O)N3C)N1 587772638 IIXXXAQTIWZVIJ-QKVFXAPYSA-N 417.322 4.295 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1nc2ccccc2n1C 587863299 XMCGRPIAZGUNEA-UHFFFAOYSA-N 414.387 4.347 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1Cl 587869033 YHGIYJVSYDFMAI-UHFFFAOYSA-N 411.767 4.345 0 1 HIAF C[C@@]1(Cn2ncc(Cl)c(Cl)c2=O)c2ccsc2CCN1Cc1ccco1 962700123 BTWCDYCSNBKVLJ-GOSISDBHSA-N 410.326 4.178 0 1 HIAF Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@]21NCCc2ccc(O)cc21 963342774 SWDBAUFWVPCTJO-VWLOTQADSA-N 401.462 4.179 0 1 HIAF Cc1nnc2c(Nc3cccc(CNC(=O)c4ccccc4)c3)nc3ccccc3n12 1772618791 ZHIYOELFQKBEGS-UHFFFAOYSA-N 408.465 4.260 0 1 HIAF O=C(CC(=O)Nc1ccccc1F)Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1857542947 NBBHAXRFAOYCFS-PKNBQFBNSA-N 415.428 4.235 0 1 HIAF CC(=O)NS(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)c(C(F)(F)F)c1 1857596946 RNXHUYQLOPKQHJ-UHFFFAOYSA-N 411.760 4.115 0 1 HIAF CCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)nc2ccc(C)cn12 1857599428 ZOCWFIPYMYIYOU-UHFFFAOYSA-N 405.285 4.342 0 1 HIAF CCOC(=O)[C@H](C(=O)c1ccc(OC)cc1)[C@@H](NC(C)=O)c1ccc(C(C)C)cc1 1857613702 LUZRWMPOZXDGLK-VXKWHMMOSA-N 411.498 4.058 0 1 HIAF Cc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2Cl)cc1 1911577244 QTIXYWRLCYOCRY-UHFFFAOYSA-N 409.925 4.072 0 1 HIAF COCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Cn1ccc2c(Cl)cccc21 2356536151 POMRNRAFYHJNEI-NQIIRXRSSA-N 417.981 4.034 0 1 HIAF CC[C@@H]1CCCC=CC=C[C@H](O)C[C@H](O)CC=CC=C[C@H](O)CC=CC=CC(=O)O1 2356778232 PNIHJNURJFVDOY-CJRSTVEYSA-N 416.558 4.082 0 1 HIAF COc1ccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cc1Cn1cncn1 12596161 HWNJOJRSDAWOAC-IBGZPJMESA-N 424.932 4.083 0 3 HIAF COC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)OC(C)(C)C)CC1 15936613 KZDWVCAGESKKSG-UHFFFAOYSA-N 400.475 4.074 0 3 HIAF CCCCc1ccc(Nc2nc(Cl)c3ncn(COCCOC(C)=O)c3n2)cc1 1647879 AYSQAHYTHOBYJR-UHFFFAOYSA-N 417.897 4.103 0 1 HIAF C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCCCC(=O)O)C(=O)O 13741345 IWURQOHGXLKXDJ-UTKZUKDTSA-N 411.498 4.137 0 1 HIAF COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2c1nc(C)c2C 13860483 FJYMKPSNPVCHLQ-SFHVURJKSA-N 408.889 4.383 0 1 HIAF C/C=C/c1cc(OC)c(O[C@@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 14677118 FLBWVIKFCMUTDS-MCAMPUSWSA-N 418.486 4.264 0 1 HIAF Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)COc2ccccc2)C1 15673924 OQVOUQCOGRCPSA-FGZHOGPDSA-N 401.510 4.156 0 1 HIAF biogenic Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CCC(C)C)CC(=O)N21 15954535 HKINYRADOSXAKS-RCZVLFRGSA-N 415.537 4.207 0 1 HIAF biogenic COc1ccc([C@H]2[C@@H](CCS(=O)(=O)c3ccccc3)C(=O)N2c2ccccc2)cc1 29053454 MDNMVLSUAGMWOK-PKTZIBPZSA-N 421.518 4.263 0 1 HIAF in-vitro O=c1c2cc(F)c(-c3ccc4c(c3)CCNC4)cc2n(C2CC2)c2snc(O)c12 35090247 WLUGSWYWAKTACB-UHFFFAOYSA-N 407.470 4.104 0 1 HIAF CCCC[C@H](CC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(Cl)c(F)c2)C(=O)O1 40406860 ZNLUECRWFKKEBI-QRTXCFHVSA-N 412.885 4.300 0 1 HIAF Cc1ccc(CNc2ncnc3c2nc(-c2ccc(C)o2)n3C[C@H]2CCCO2)cc1 82179262 RLYSOZRTPDGDIZ-GOSISDBHSA-N 403.486 4.494 0 1 HIAF O=C(O)[C@@H]1CCCN(CCO/C=C/c2ccc(F)cc2Cc2ccc(F)cc2)C1 96923642 CKGRYFOTNXJPRK-VSRDTVRMSA-N 401.453 4.340 0 1 HIAF COCc1c(-c2nc(-c3ccc(CCC(=O)O)cc3)no2)cnn1C1CCCCC1 114612432 BBVXGWDYDXVCOC-UHFFFAOYSA-N 410.474 4.269 0 1 HIAF O=S(=O)(c1ccc(Cl)s1)N1[C@H]2C[C@@H](c3ccccc3)C[C@@H]1Cc1[nH]ncc12 169346252 WWBXWWWAZYGPBG-VBQJREDUSA-N 419.959 4.359 0 1 HIAF CCOC(=O)C1=C(CC)N=C(CC)[C@H](C(=O)OCC)[C@H]1c1cccc(-n2ccnc2)c1 169714470 NTDPJPABTWNXFD-RTWAWAEBSA-N 423.513 4.227 0 1 HIAF C[C@@H](NC(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(F)(F)F 224773566 FCSDGUKXBSPQNR-LLVKDONJSA-N 404.367 4.213 0 1 HIAF COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3ccccc3)nn2)c1CC=C(C)C 299826882 IJHABFQAKUGXMT-KAMYIIQDSA-N 419.481 4.461 0 1 HIAF CC(C)COc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Br 586923922 AKQIWMOJXHAEMX-UHFFFAOYSA-N 415.353 4.218 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)C[C@H]2CCCC[C@H]21 587026373 LCOUEAGCOPHNIK-LZQZEXGQSA-N 423.538 4.471 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(C(=O)O)c3[nH]1)N2 587030425 DUXMPJKBRVKCTQ-SRMXYGTFSA-N 414.512 4.388 0 1 HIAF CCc1cc(OCc2nc3cc(I)cnc3[nH]2)ccc1Cl 587052864 QKVMWUWUVLPENS-UHFFFAOYSA-N 413.646 4.357 0 1 HIAF Cn1nc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(F)c1O 587155920 ONUGGJHXKAZXIA-UHFFFAOYSA-N 417.238 4.150 0 1 HIAF Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2ccnn12 587343729 DFEIVRSKXFZAJC-GMAHTHKFSA-N 403.413 4.157 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)nn1[C@H]1CCCCO1)[C@@H](C2)C3=O 587422033 NFMDWWNZBRRMPX-MOFZMDFASA-N 408.376 4.098 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587454894 ZFTYDWOJEQNGCK-BVZFJXPGSA-N 416.429 4.492 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SCC(=O)O)c(OC)c1)CC2=O 587493101 QRDYDWVLCCSNQR-JOCHJYFZSA-N 416.495 4.411 0 1 HIAF COc1ncc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC 587551836 KJMFRLFURWUOBG-VQIMIIECSA-N 413.813 4.161 0 1 HIAF C[C@@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552206 OPCHFFNRMUQKNT-IERDGZPVSA-N 407.813 4.146 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(Br)ccc1F 587570753 XTEAFXLALXFLCR-HNAYVOBHSA-N 416.202 4.392 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587580636 TVZJTPFQFUZVQM-IEGUWTFLSA-N 411.454 4.170 0 1 HIAF CCOC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593048 BSYFYUXPEOKXMJ-RDPSFJRHSA-N 404.418 4.446 0 1 HIAF C/C(=C\[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C 587616748 GMPCDZYHCJSBSF-CSTZELCDSA-N 408.479 4.171 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cn2)N1 587683592 OCPVQFQULLIAPB-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF CCOC(=O)[C@H](C)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587703813 GYVDXDSZAQHPTM-OLBFVZFUSA-N 412.221 4.079 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(F)cc(Cl)cc12 587737865 HWIGUVWNCWLKKW-GJEGPGMTSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Cn2cccn2)N1 587760707 QAOYEQFOTYGNNZ-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2Cc3ccccc3C(=O)O2)N1 587832342 JNHNAUDDFBDUPS-VATIQMLTSA-N 404.279 4.119 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2cc(F)ccc2[nH]1 587867563 JZLJXULEZGYUNI-UHFFFAOYSA-N 404.323 4.281 0 1 HIAF COc1cc(-c2ccccc2)c(OC)n1-c1cc(C(=O)O)ncc1Br 587941845 RMKIENCEIJIGFZ-UHFFFAOYSA-N 403.232 4.017 0 1 HIAF CCC(=O)Nc1ccc(-c2ncnc3c2cc(C(=O)OCc2ccccc2)n3C)cc1 653848694 HDYZZNRXIIIKEF-UHFFFAOYSA-N 414.465 4.341 0 1 HIAF CC(=O)Oc1cccc([C@@]2(c3ccc(F)cc3F)NCCc3c(C(=O)O)cccc32)c1 963144728 MCTGQXFIVZBVQR-XMMPIXPASA-N 423.415 4.026 0 1 HIAF Cc1ccc(-c2c(CCc3nc(C(N)=O)cs3)c(C)nc(CC(C)C)c2CN)cc1 1772582664 JHLDVAKLAFZQIP-UHFFFAOYSA-N 422.598 4.363 0 1 HIAF O=C(NCc1ccccc1)c1cccnc1Nc1nc(-c2ccccc2)cc2nccn12 1772644247 FLAXWABPHABGTD-UHFFFAOYSA-N 420.476 4.465 0 1 HIAF O=C1Nc2ccc(C(=O)N3CCCC3)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1 1857587395 UBIKZRKLMCDNHU-AUWJEWJLSA-N 403.265 4.428 0 1 HIAF C/C(=C\CC[P@](=O)(NCC(=O)OC(C)C)Oc1cccc2ccccc12)CO 1857766937 YQRGJTOBHNIMLK-HMJZLIEOSA-N 405.431 4.282 0 1 HIAF Cc1nc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)cc2nc1C 2356627893 ZNUGWCWQMPYCJR-WIHVIGOGSA-N 416.569 4.282 0 1 HIAF CNc1nc2cnc(Nc3cccc(OC)c3)cc2n1Cc1ccc(OC)c(OC)c1 82083242 JFAXUXAZNIIJIK-UHFFFAOYSA-N 419.485 4.291 0 3 HIAF C[C@]1(C(=O)NCc2ccc(OC(F)(F)F)cc2)CON=C1c1ccc(Cl)cc1 768967 QEYXBXJPAGKRNS-SFHVURJKSA-N 412.795 4.296 0 1 HIAF O=c1cc(NC2CCN(Cc3ccc4c(c3)CCO4)CC2)c2cc(Cl)ccc2o1 13673197 HXHZJLLLLXIFNR-UHFFFAOYSA-N 410.901 4.458 0 1 HIAF CN(CCC1CCN(C[C@H]2COc3ccccc3O2)CC1)C(=O)N(C)c1ccccc1 13813701 DDJLQAHUKUEJJT-QFIPXVFZSA-N 423.557 4.117 0 1 HIAF CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 14949207 GZKUIKKDBXPCIY-HNNXBMFYSA-N 405.502 4.130 0 1 HIAF CN1CCN(c2ccc(Nc3ncc4ccn(C5Cc6ccccc6C5)c4n3)cc2)CC1 14954881 FPNKJOJLOBFLCN-UHFFFAOYSA-N 424.552 4.267 0 1 HIAF Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCC4)CC(=O)N23)c1 15953853 QZGRVXGNVGRPNP-RDGATRHJSA-N 413.521 4.104 0 1 HIAF biogenic COc1cc(-c2ccc3c(c2)Nc2ccc(N4CCCC4=O)cc2NC3=O)ccc1N 28710745 PYUHDLKZSFHNLZ-UHFFFAOYSA-N 414.465 4.381 0 1 HIAF CC(C)(C)c1csc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n1 49066844 WPNSXCULPFTBSA-UHFFFAOYSA-N 424.486 4.442 0 1 HIAF CC(C)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCC1CCCCC1 82082228 ZODMLBPZIUISSP-IBGZPJMESA-N 414.575 4.338 0 1 HIAF CN(C(=O)c1cc2c(s1)-c1cc(C(N)=O)ccc1OCC2)c1ccccc1Cl 82151606 TWWGZSNNLULNGQ-UHFFFAOYSA-N 412.898 4.379 0 1 HIAF CS(=O)(=O)Nc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12 95556690 YADKOEYPOMEELJ-UHFFFAOYSA-N 400.891 4.353 0 1 HIAF Cc1c(/C=C/[C@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)cn1-c1ccccc1 96905851 FQMQFMROIGKGDU-LBNTZDJNSA-N 409.457 4.192 0 1 HIAF C[C@@H](O)C(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638938 WQAJERBMYNMJKG-QRVBRYPASA-N 401.547 4.131 0 1 HIAF CCc1nc(-c2cccc(F)c2)c(C(=O)N2CCN(c3cccc(OC)c3)CC2)o1 103291258 DUHYRDMMUDQHPQ-UHFFFAOYSA-N 409.461 4.014 0 1 HIAF Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(Cl)cn2)c(C)n1 118079500 ALURJXGAMCOREI-PGRDOPGGSA-N 408.889 4.117 0 1 HIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2noc(C)n2)c1 167861241 DHHJTNFBRIFBHL-GOSISDBHSA-N 407.470 4.316 0 1 HIAF COC1CCC2(CC1)Cc1ccc(OCC3CC(F)(F)C3)cc1[C@@]21N=C(C)C(N)=N1 210676190 MBVITGGTLKHHQT-WJXHAUQLSA-N 417.500 4.227 0 1 HIAF Nc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 225118570 MCBHAFILNSIHFY-UHFFFAOYSA-N 416.915 4.395 0 1 HIAF O=C(c1cnc(Cl)nc1C(F)(F)F)N1COCc2ccc(C(F)(F)F)cc21 299838597 VLQZZWXDZBWRLG-UHFFFAOYSA-N 411.689 4.302 0 1 HIAF CS(=O)(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 587032652 VCQHBHCCCBCIRP-UHFFFAOYSA-N 422.329 4.193 0 1 HIAF CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc21 587328566 AZONNRDRNQNNIX-QPPBQGQZSA-N 421.399 4.291 0 1 HIAF C[C@@]1(c2ccc3nc(O)[nH]c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344854 HMJKUNFNUZUQBE-REWPJTCUSA-N 404.397 4.388 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587489912 WVTKYCLEQHRRSL-MAUKXSAKSA-N 405.491 4.051 0 1 HIAF CN(C)C(=O)Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572827 RDBCFGSQOOBSLK-UGKGYDQZSA-N 405.406 4.156 0 1 HIAF CC(C)(C)OC(=O)[C@@]1(C2=COCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606155 BTKIBXJMQLZGMX-DVECYGJZSA-N 424.449 4.129 0 1 HIAF Cc1csc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)n1 587608861 ADJYBTOUEVQUBQ-GOSISDBHSA-N 408.479 4.158 0 1 HIAF COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCCO2 587609500 NDWCYFMXSGSLSN-QPPBQGQZSA-N 420.417 4.265 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCC1OCCO1)C1CC1 587615301 GMZLPUOYASZVFM-ZJSXRUAMSA-N 410.466 4.436 0 1 HIAF O=C(c1cncn1-c1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660039 BLNXZVAOZAICPY-UHFFFAOYSA-N 410.408 4.077 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=O)CC(F)(F)F)c(=O)c3ccccc23)c(O)c1 587665438 NENGSFLXSJLHHR-UHFFFAOYSA-N 419.403 4.208 0 1 HIAF COC(=O)Cc1ccccc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587783538 UQLDLQJIAYIYGL-UHFFFAOYSA-N 403.276 4.495 0 1 HIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCCO 587796388 KDSZUFXLNHANCP-DJJJIMSYSA-N 408.311 4.200 0 1 HIAF COC(=O)C[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807579 LVEKXPFZHMNSLR-ZUOKHONESA-N 406.295 4.124 0 1 HIAF CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)[C@@H](CN1CCCCC1)c1ccccc1 621431391 AZCCDASEKDDDEB-DQEYMECFSA-N 405.586 4.337 0 1 HIAF CN(C(=S)c1ccc(F)cc1OCC(=O)O)c1ccc(Br)cc1F 653723567 BKUDSTUYACMSOQ-UHFFFAOYSA-N 416.243 4.003 0 1 HIAF CCOC(=O)C(F)(F)c1ccc([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)n1C 963096155 CSGKKLDMWNMYQO-QVKFZJNVSA-N 406.448 4.103 0 1 HIAF COc1ccc2c(c1OC)[C@@]1(CCc3ccc(SC)cc31)NCC21CCOCC1 963194121 SNLQBGDFFADJFU-DEOSSOPVSA-N 411.567 4.267 0 1 HIAF COc1cc(N(CC2(C)CC2)c2ccc3c(c2)CCC3)cnc1C(=O)[C@@H]1C[C@H]1C(=O)O 1772571558 UZIRXZUCOKESJN-WOJBJXKFSA-N 420.509 4.421 0 1 HIAF COc1ccc(-c2cc(Cl)cc([C@@H](CC(=O)O)c3nnc(C)o3)c2)c(OC)c1 1772600393 AIPJWKBGORUJER-QGZVFWFLSA-N 402.834 4.322 0 1 HIAF NS(=O)(=O)c1ccc(OC(=O)c2c(-c3ccccc3)sc3c2CCCC3)cc1 1772628030 ZBQFFZVOKTYLJC-UHFFFAOYSA-N 413.520 4.161 0 1 HIAF CC(=O)N1CCc2c(c(-c3ccc(Cl)c4ccncc34)nn2C2CCOCC2)C1 1857761068 WCBTYHJUDDZYOV-UHFFFAOYSA-N 410.905 4.008 0 1 HIAF CCCCn1cnc2c(Nc3cccc(Cl)c3)[nH]c(=N[C@H]3CC[C@H](N)CC3)nc21 1857761688 CGSXTSJTXZLELU-WKILWMFISA-N 413.957 4.127 0 1 HIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CCN(C)CC1 2356732504 UNYGZEPGZXFKQW-XPWALMASSA-N 420.638 4.194 0 1 HIAF O=C1N[C@H](Cc2ccccc2)c2nc3cc(F)ccc3c(=O)n2-c2ccc(Cl)cc21 36389186 NWFUBRHJULWSPP-LJQANCHMSA-N 419.843 4.205 0 3 HIAF COC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(Cc3ccsc3)n2c1 95600740 OYCGOBGYTQERCF-UHFFFAOYSA-N 408.479 4.457 0 3 HIAF COc1ccc([C@@H](NCc2ccc(F)cc2)C(=O)N(C)C2CCCC2)cc1OC 206496037 TYNUNPJWHCMRJV-JOCHJYFZSA-N 400.494 4.075 0 3 HIAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)cc1 4056089 OQPYEYVETXDPGO-IRLDBZIGSA-N 412.917 4.414 0 1 HIAF COc1cc(F)ccc1N1CCN(CC[C@H](O)c2csc3ccccc23)CC1 13861812 YOPXVYHUZKYRHM-FQEVSTJZSA-N 400.519 4.295 0 1 HIAF NS(=O)(=O)c1ccc(CC[n+]2c(-c3ccccc3)cccc2-c2ccccc2)cc1 27993765 WZYAJMIYOJIVCW-UHFFFAOYSA-N 415.538 4.198 0 1 HIAF CN(C)CCN1C(=O)c2cccc3c2c(cc2[nH]c(-c4ccc(Cl)cc4)nc23)C1=O 28825798 FWCGEZIGNVDRAM-UHFFFAOYSA-N 418.884 4.194 0 1 HIAF COc1cccc([C@@H]2CN(C)Cc3cc(OCCCN4CCC(F)CC4)ccc32)c1 28892994 AJXWEERKJZAIJJ-VWLOTQADSA-N 412.549 4.475 0 1 HIAF CCN(CCCCCC(C)(F)F)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 40802186 KZBHMKHBZOKLAW-LJQANCHMSA-N 420.566 4.409 0 1 HIAF COc1cccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1 63539972 CYLGCMABIBXHIQ-UHFFFAOYSA-N 424.464 4.131 0 1 HIAF Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1-c1cc(F)c2c(c1)NC(=O)CO2 68079088 WEKSEXQGHQCYBF-UHFFFAOYSA-N 409.314 4.476 0 1 HIAF CCOc1cccc(-c2nc(CN(C)Cc3cc(OC)c(OC)c(OC)c3)co2)c1 72185063 CNZSDHYPWZRWOG-UHFFFAOYSA-N 412.486 4.398 0 1 HIAF O=C(NCCc1ccccc1F)[C@H]1CCCN1c1nc(-c2ccccc2F)cs1 82195674 AJTZRRGKJUUZKT-HXUWFJFHSA-N 413.493 4.416 0 1 HIAF CC(=O)N1C[C@H]2C[C@@H]1CN2Cc1cc2cc(Oc3nc4cnccc4s3)ccc2o1 95595155 ALVGFUKVAKXBOD-HZPDHXFCSA-N 420.494 4.035 0 1 HIAF C[C@H](O)c1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 96933200 MRBWGNISLLFDCV-ZETCQYMHSA-N 419.190 4.361 0 1 HIAF CC1(N[C@@H]2CCOC[C@H]2NC(=O)c2ccc(C(F)(F)F)cc2C2CC2)CCCC1 118618786 VOZYZCHQIYRGRG-RTBURBONSA-N 410.480 4.392 0 1 HIAF C[C@H]([C@@H]1C[C@@H]1C(=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 118919892 SPBCVLSZAPVLJN-GUECFGDCSA-N 404.591 4.334 0 1 HIAF CCCS(=O)(=O)CCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N)CC2 142114815 YDXMAGHLMCMVLM-FCHUYYIVSA-N 405.991 4.307 0 1 HIAF CNS(=O)(=O)c1ccc(Cl)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1 198440248 XJAMSALTZIVTMV-UHFFFAOYSA-N 424.313 4.179 0 1 HIAF CC(=O)c1ccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)cc1 219754658 WERHDSCRDSDMLI-VWLOTQADSA-N 401.506 4.354 0 1 HIAF O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)C1 473111388 ZAJWCDMUELNBFR-JOCHJYFZSA-N 419.525 4.237 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CSC2=NC[C@H](c3ccccc3)N2)cc1 474607843 KHAQNNMTWYYNDF-OAQYLSRUSA-N 402.523 4.455 0 1 HIAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C(=O)N(C)C)cc4[nH]3)ccc12 586918817 PWYXSEMFCXRLGI-UHFFFAOYSA-N 419.481 4.293 0 1 HIAF FC(F)(F)COc1cc(-c2nc3ccc(I)cc3[nH]2)ccn1 587091800 OYDVJJWUZODBED-UHFFFAOYSA-N 419.144 4.171 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)c(F)cc3[nH]2)C(F)(F)C1 587131715 BQSUEOYQMSZUTN-MRVPVSSYSA-N 420.229 4.434 0 1 HIAF Cc1c(Br)ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587148750 LGQYNUQXEFNXLL-LBPRGKRZSA-N 420.257 4.428 0 1 HIAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587202445 IGMKRILKTFXEAI-HNNXBMFYSA-N 408.241 4.312 0 1 HIAF Cc1cc2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2c(C)n1 587230890 KHMYIYKVLSNGQU-UHFFFAOYSA-N 401.470 4.464 0 1 HIAF CCOc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587351862 VMDYOFJEXARQME-QPPBQGQZSA-N 419.408 4.137 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1[C@@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)CC2=O 587489308 TZLNDIVQJMZOKN-HPMIAYGSSA-N 401.503 4.324 0 1 HIAF Cc1nc(Cl)c(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587554994 ZBCIFGRDGOBACT-HOTGVXAUSA-N 417.248 4.370 0 1 HIAF CN(CCC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N=O 587569998 HSTDPMNQAFOWOB-OFNKIYASSA-N 419.437 4.038 0 1 HIAF C[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592002 FVLNWPXYFYMWDQ-URXFXBBRSA-N 401.418 4.154 0 1 HIAF COC(=O)C[C@]1([C@@H](C)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597304 XZZVMYZYPSHJKW-ZYBREQRGSA-N 418.445 4.459 0 1 HIAF C[C@]1(c2cccc(N3CCOC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597518 VLHXEGMAMDWAQJ-HYBUGGRVSA-N 417.417 4.226 0 1 HIAF CC(C)(C)OC(=O)Nc1c(CCCCC2OCCO2)[nH]c2c(C(=O)O)cccc12 587637700 GIVDHGRRNXOLJG-UHFFFAOYSA-N 404.463 4.299 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(Cl)cc3)n2)N1 587700236 SQBQDKJFQFQCDB-MLCYQJTMSA-N 421.701 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C2)N1 587741039 FVUSHECBTDGQEM-MJLGCCKJSA-N 413.331 4.395 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2NC(=O)OC(C)(C)C)N1 587744677 SJCYCCVODRKFEZ-CYXMAGCYSA-N 413.331 4.395 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)CC(C)(C)C)CC2)N1 587767072 IIPRGFUIRJQVAJ-CYBMUJFWSA-N 411.359 4.376 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCC(=O)O)c2)N1 587798431 XUCFFPUEXOZGFG-WYRIXSBYSA-N 408.267 4.065 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2cnn(C)c2C)n1 587863071 PZFSKHSGTSXCEC-UHFFFAOYSA-N 414.391 4.066 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCCN(C)c1ccccc1 587873316 YUXMHMHQLZCUSN-UHFFFAOYSA-N 412.534 4.337 0 1 HIAF CCc1cnc(C)nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O 653666143 APWMGNIAYJJUAF-AWEZNQCLSA-N 403.482 4.407 0 1 HIAF CCOC(=O)c1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c(Cl)c1 962640656 WYSUOVGSVTVFEU-ASSNKEHSSA-N 403.906 4.500 0 1 HIAF C[C@]1(c2ccc(Cl)c(F)c2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642410 ZSPPQRAZBNVZBB-NVXWUHKLSA-N 403.759 4.240 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1cccc(CN3CCCC3)c1)(C1CCC1)NCC2 962926335 BFKBWNKVKRYXBZ-MHZLTWQESA-N 417.597 4.174 0 1 HIAF COC(=O)C1=C[C@]2(NCCc3c(Cl)cc(Cl)cc32)c2cc(Cl)ccc2O1 963125331 UBSZGXVHWJVRST-LJQANCHMSA-N 410.684 4.485 0 1 HIAF CC1(C)[C@H]2CC[C@](C)(O)[C@H](COc3ccc4oc(=O)ccc4c3)[C@@]2(C)CC[C@H]1O 2356539085 BVWJOHUOYZAXKK-FSQPGOEKSA-N 400.515 4.136 0 1 HIAF CN1[C@H]2C[C@H](OC(=O)C=Cc3ccccc3)C[C@H]1[C@H](OC(=O)C=Cc1ccccc1)C2 2356711456 ZHJUOEJQLDHSBJ-NEWJYFPISA-N 417.505 4.103 0 1 HIAF O=C(O)/C(=C\c1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)s1 3305633 WOWNJYCKJCOVOH-OWBHPGMISA-N 411.932 4.201 0 3 HIAF Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCN(c3ccccn3)CC2)o1 13593386 RSDFQPCWQVIUES-UHFFFAOYSA-N 417.488 4.297 0 3 HIAF c1ccc(CO[C@@H]2CO[C@@H]3[C@@H](NCc4ccc(-c5ccccc5)cc4)CO[C@H]23)cc1 5397166 YBDVCZUJQMFVNM-BKKFENPESA-N 401.506 4.195 0 1 HIAF biogenic NC1=N[C@@H](c2cccc(OCc3ccccc3)c2)N(c2ccc(Cl)cc2)C(N)=N1 13559316 POJCBBWXTMJTRM-HXUWFJFHSA-N 405.889 4.067 0 1 HIAF Cc1cc(C)n(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1 13610410 JOHKRJNYKDHTID-UHFFFAOYSA-N 400.486 4.396 0 1 HIAF N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(Br)c3O)cc2c1 13863701 BOMLKKNGTDVLHA-UHFFFAOYSA-N 409.081 4.350 0 1 HIAF Cc1ccc(-c2cccc(-c3nc4cccc(C=C(C(=O)O)C(=O)O)c4[nH]3)n2)cc1C 28569814 LQRFVYJVUSEBTJ-UHFFFAOYSA-N 413.433 4.461 0 1 HIAF Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)NCC(=O)O 40846129 QTYROOAVVUFIOZ-UHFFFAOYSA-N 411.845 4.260 0 1 HIAF O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 53113504 RBBPCEWGOONAPO-UHFFFAOYSA-N 410.389 4.298 0 1 HIAF O=C(Cc1ccccc1Cl)Nc1cc(Br)ccc1OCCNC1CC1 58541568 SCGJZSPWPIQECM-UHFFFAOYSA-N 423.738 4.415 0 1 HIAF O=C(OCCO[N+](=O)[O-])C1(c2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)CC1 71296366 VWWZVUUKRGVQRI-UHFFFAOYSA-N 413.323 4.295 0 1 HIAF CCC1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1ccc(O)c(OC)c1)N[C@@H]2c1ccc(O)c(OC)c1 84687758 DJQKXCZAWGHYAP-FGZMVZTCSA-N 411.498 4.122 0 1 HIAF CCCSc1nc(N2CCC(CC(=O)O)CC2)ccc1C(=O)NC1CCCCC1 95571844 MCCSIDXTNHFYKE-UHFFFAOYSA-N 419.591 4.337 0 1 HIAF CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1CN 95597967 GPTCBVWYDMSRMY-UHFFFAOYSA-N 401.514 4.452 0 1 HIAF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2ccco2)cc1 96923092 LDPUOVKMBYCCPQ-UYRXBGFRSA-N 410.422 4.331 0 1 HIAF Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4n[nH]c(=O)n4C=N[C@H]32)cc1 98085193 KPZOFQJHILWGHO-VWNXMTODSA-N 419.488 4.268 0 1 HIAF Fc1ccc(Nc2nc(NCc3ncccn3)nc(Nc3ccc(F)cc3)n2)cc1 115737076 UAAKDZMQDFXQTN-UHFFFAOYSA-N 406.400 4.039 0 1 HIAF c1ccc(-c2csc3ncnc(N4CCC(CNCC[C@H]5CCCN5)CC4)c23)cc1 146403928 ZGOVHIWCOPUGBF-HXUWFJFHSA-N 421.614 4.306 0 1 HIAF COC(=O)[C@@]1(/C=C/[C@@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@@H]21 169351745 KAZMGBQDEYZMGJ-RCLAPQCWSA-N 409.320 4.297 0 1 HIAF CC[C@H](C)C(=O)O[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 206557036 PCZOHLXUXFIOCF-ZPGJMWSVSA-N 404.547 4.196 0 1 HIAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@@H]21 253678807 QIJAKJCZCKPPNN-RZFLPCETSA-N 417.962 4.011 0 1 HIAF CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]32)C1 504643262 NBZXMBPRBWXSSQ-QLHIEERPSA-N 401.591 4.414 0 1 HIAF biogenic Fc1c(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1F 586967192 QDZJIECEBWWOHV-UHFFFAOYSA-N 424.230 4.341 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c1 586983316 AXODZTPUOSKAII-CYBMUJFWSA-N 408.683 4.008 0 1 HIAF Cc1cnc(Cl)c2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc12 587002397 DXOYFWOPUFJWEY-SECBINFHSA-N 406.667 4.318 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(Cl)ncnc3[nH]1)N2 587031397 NJLSZTPKAVJHNW-SXPLAPADSA-N 406.924 4.133 0 1 HIAF Nc1ccc(-c2ccc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3c2)cc1N 587043025 XGSHIJAEBSMXJU-FCHUYYIVSA-N 401.539 4.341 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2cc1OC 587162036 BIVKIBLLJDQVRJ-UHFFFAOYSA-N 419.412 4.417 0 1 HIAF O=C(O)c1coc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356728 RAQNLCKGVJZRKG-XXBNENTESA-N 408.381 4.413 0 1 HIAF O=C1C[C@H](c2ccc(OCCO)cc2Br)Oc2c1ccc1c2CCCC1 587504351 RNLFFCFLGBRAEH-HXUWFJFHSA-N 417.299 4.406 0 1 HIAF COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587578820 RWEZONQSOJOKRR-ZJSXRUAMSA-N 414.417 4.289 0 1 HIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC 587590323 BWZOWQVOBQNUQN-CYFREDJKSA-N 422.433 4.295 0 1 HIAF C[C@]1(c2cccc(OC[C@H]3CO3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614555 CJJSPJYEDBTPRF-XVWGUNQUSA-N 404.418 4.047 0 1 HIAF CCOc1ccc(-c2nn(C(=O)[C@@H](C)OC(C)C)c(=O)c3ccccc23)cc1OCC 587670665 GTWYVDWUIQEOGZ-MRXNPFEDSA-N 424.497 4.315 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccco2)N1 587723193 VNGUZHFDQCUMDJ-VVVCHXIZSA-N 402.210 4.183 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)oc3ccc(F)cc3c2=O)N1 587729315 GYFUZTJAXJYHBM-QPFGOUBPSA-N 421.241 4.040 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)c3ccccc3)C2)N1 587767229 JFXBEQURSNMKAN-SPLOXXLWSA-N 417.322 4.254 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3n(C)c2=O)N1 587771978 UWUCHLWRGVYDRJ-NSPYISDASA-N 401.279 4.064 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc2c(c1)OCCO2 587862498 PYRABTGUEJHVTG-UHFFFAOYSA-N 404.344 4.037 0 1 HIAF O=C(Nc1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1n[nH]c2ccccc12 653711530 QHWYQHKGOYXAON-UHFFFAOYSA-N 411.509 4.137 0 1 HIAF CC[C@@H](c1cnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1 653790221 UREQUBRTQWRQHS-SFHVURJKSA-N 424.599 4.271 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]31CCCc2nc(Br)sc21 963034042 LDDGHUJCWIWINR-LJQANCHMSA-N 416.344 4.188 0 1 HIAF CC1(C)C(=O)NC2=C1[C@@]1(NCCc3c(Cl)cc(Cl)cc31)C(=O)c1ccccc12 963126180 VIHMRQAOYRLEQX-JOCHJYFZSA-N 413.304 4.098 0 1 HIAF C[C@@]1(c2cc(C=O)cs2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963185120 KKGRWWMQYMUKEE-ZBEGNZNMSA-N 403.809 4.095 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CN)C1CCCCC1 963862599 CRZYOGQMRGSJRC-NTKDMRAZSA-N 416.562 4.366 0 1 HIAF CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccc(OC)cc1 1772580143 GJQSSVRHDURAER-UHFFFAOYSA-N 401.488 4.081 0 1 HIAF C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)C1=O 1772633748 XLERPYDVNGAEHV-DSAKXZLESA-N 400.469 4.021 0 1 HIAF COc1ccc(CN=c2[nH]c3nc4c(c(-c5ccccc5)c3s2)CCC(=O)C4)cc1 1857539078 VWPWMWXMIMHSQF-UHFFFAOYSA-N 415.518 4.459 0 1 HIAF CC(=C[C@@H]1C=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@]12OC(=O)[C@](C)(O)C2=O)CCCc1ccoc1 2356421779 SUPAAFLITZURHL-WRGAPMFPSA-N 412.526 4.403 0 1 HIAF CCc1nc2c(OCCn3cccc3)cccn2c1N(C)C(=O)c1ccccc1F 61928133 RSSIJIAUSBBDEX-UHFFFAOYSA-N 406.461 4.193 0 3 HIAF COc1ccc(CC(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccc(F)cc2)cc1 2724159 HUCGBGUKKBNWEN-RUZDIDTESA-N 418.468 4.256 0 1 HIAF O=C1C[C@@H](c2ccc(O)cc2)c2c(cc3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)O1 13382670 ZDCISPDGWCQAIP-WMZOPIPTSA-N 402.402 4.245 0 1 HIAF biogenic COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2O)nc2ccccc12)c1ccccc1 13762400 KEYQGDUYZKPIHP-QHCPKHFHSA-N 412.445 4.252 0 1 HIAF N[C@H](COc1cncc(/C=C/c2ccncc2)c1)C(=O)Nc1ccc2ccccc2c1 14957612 ACMXZXUHYGYWIR-QQHIZMLBSA-N 410.477 4.145 0 1 HIAF C[C@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Oc4cccc5cccnc45)cc3)C(=O)[C@@H]2C1 18155779 FRIOBXUBAMOZEG-CWFSZBLJSA-N 414.461 4.380 0 1 HIAF O=C(NC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1)c1cccs1 26186945 ALEDMDHEKHHSMX-NRFANRHFSA-N 404.491 4.339 0 1 HIAF COc1ccc(-c2cc3c(OC)cc(OC)cc3n(C)/c2=N\Nc2ccccn2)cc1 26574999 VYPKYZTWZFRBOL-PNHLSOANSA-N 416.481 4.194 0 1 HIAF C[C@@H]1NCCc2c1[nH]c1ccc(O)c(-c3c(O)ccc4[nH]c5c(c34)CCN[C@H]5C)c21 28011016 UONAXVFICWYWNY-RYUDHWBXSA-N 402.498 4.141 0 1 HIAF COc1ccc2[nH]cc(CCNC(=O)c3ccc(OC(F)(F)C(F)F)cc3)c2c1 29040552 AIGNOHAPRJHNHK-UHFFFAOYSA-N 410.367 4.386 0 1 HIAF CC(=O)N(CCF)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 29124211 AGAIQORVSOOHGD-UHFFFAOYSA-N 408.458 4.011 0 1 HIAF CC(=O)c1cccc(NC(=O)NCCCN2CCC[C@H](Cc3ccc(F)cc3)C2)c1 29402961 FDDSQKZQCHXOJV-HXUWFJFHSA-N 411.521 4.495 0 1 HIAF CC(C)NC(=O)Oc1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)ccc1F 40861432 TVWMVWLKTWDFCL-UHFFFAOYSA-N 424.457 4.325 0 1 HIAF CCCCNC(=O)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 40864423 FOMQSLPHWPMZRI-UHFFFAOYSA-N 404.495 4.219 0 1 HIAF CCCCNC(=O)[C@@H](C)NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 45230342 QRASMEGVADQLJQ-GFCCVEGCSA-N 409.313 4.401 0 1 HIAF CC(C)Oc1ccccc1N1CCN(Cc2ccccc2CN2CCCCC2=O)CC1 52956220 BKOZXYDJNCUNBD-UHFFFAOYSA-N 421.585 4.309 0 1 HIAF Cc1cc(C(=O)O)[nH]c1/C=C1\C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc21 53312868 DEYLMMAOKCQOMO-WJDWOHSUSA-N 402.410 4.158 0 1 HIAF COc1ccc(CCN[C@H](C)COc2c(C)cc(Br)cc2C)cc1O 66166924 JZFKGUCJJRMXSY-OAHLLOKOSA-N 408.336 4.380 0 1 HIAF CCOC(=O)c1c(-c2cccc(OC(F)(F)F)c2)[nH]c2cc(OC)ccc2c1=O 95557418 LRSYUKWMVWRSPO-UHFFFAOYSA-N 407.344 4.279 0 1 HIAF O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2ccc(F)cc2F)C1 95565831 KGRYGOUXXIAHSP-UHFFFAOYSA-N 409.223 4.186 0 1 HIAF Cc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3C)cc2)c1 100106412 DSLBKNQVMSADKO-QEIWAGNOSA-N 418.562 4.099 0 1 HIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1ccco1 103190709 LNXMUDJRAVALRB-HNNXBMFYSA-N 408.265 4.405 0 1 HIAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cccc(F)n4)n3)cc(Cl)c2[nH]1 144245162 CYSDYPRNFKMDML-UHFFFAOYSA-N 410.840 4.258 0 1 HIAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(-n3cncn3)cc2)nc1 145223967 DIBKFYNBWFTSRL-UHFFFAOYSA-N 405.458 4.346 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@]21C 169713465 WNENMRZSIGSSCW-FCPGFQQOSA-N 400.607 4.190 0 1 HIAF Cc1[nH]c2cn(Cc3ncco3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN 169730477 ANTPCVUFAUPHSA-UHFFFAOYSA-N 403.269 4.058 0 1 HIAF C[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)n1ccc(-c2cc(Cl)ccc2C#N)cc1=O 220669690 FYWRBGOWASHFQJ-ZDUSSCGKSA-N 417.856 4.116 0 1 HIAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccc2nc(O)[nH]c2c1 587108036 XNTYUXSUTXXRAU-UHFFFAOYSA-N 420.428 4.209 0 1 HIAF C[C@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173394 ZOZAPYCSZIYDAA-MRXNPFEDSA-N 415.293 4.379 0 1 HIAF Cc1nc(N(C)C)ncc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587194633 KNFWXAYYEFZIMJ-UHFFFAOYSA-N 400.202 4.176 0 1 HIAF Cc1c(F)ccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339342 VMKYTKRVTZKCOV-CVDCTZTESA-N 407.372 4.185 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)nc1Br)O2 587374363 XJGNCCQJSBYBTF-GFCCVEGCSA-N 412.081 4.204 0 1 HIAF CCOC(=O)CCOCCCOCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587566880 ZUCSSMQXRLODTC-UHFFFAOYSA-N 422.831 4.154 0 1 HIAF O=C1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc2N1 587569053 JZMLUBSMQWHQCY-OFNKIYASSA-N 405.381 4.121 0 1 HIAF COc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575468 BYTPFUYKVRSPOC-XUZZJYLKSA-N 419.433 4.150 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(Cl)ccc(F)c12 587734847 RVRBULFDVJFLGW-IWEMQMMOSA-N 413.649 4.111 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)nc2F)N1 587737840 HRUQESOYNNGPQE-ADLMAVQZSA-N 408.290 4.346 0 1 HIAF CCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)ccc21 587776247 VUIQOBNCWCBQJQ-FKIZINRSSA-N 403.295 4.041 0 1 HIAF COc1ccc2c(c1OC)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587811633 WYGAMQOOHCMMQE-PRWKNARSSA-N 406.295 4.329 0 1 HIAF C[C@H](CCC(=O)O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587963482 XVAYSWGLSIXPNL-GFCCVEGCSA-N 421.906 4.061 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(Br)c2c(c1)CCO2 963038967 SPOOVGXKINJKQW-LJQANCHMSA-N 411.299 4.176 0 1 HIAF COc1ccc([C@H]2c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)s1 963159025 OZRJSWZZYYBARI-NRFANRHFSA-N 424.522 4.144 0 1 HIAF Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@@]21NCCc2ccc(O)cc21 963342768 SWDBAUFWVPCTJO-RUZDIDTESA-N 401.462 4.179 0 1 HIAF COc1cc(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2)ccc1F 963511003 RMKCLYMQPHFQJE-WMZHIEFXSA-N 407.441 4.204 0 1 HIAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(OC(=O)c4ccccc4C)cc3O2)cc1O 1772581771 NIFRQRQLRCSHJW-NRFANRHFSA-N 420.417 4.341 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(cccc3OC[C@H]3CC3(F)F)C2)cc1 1772629810 OARGRHIXKCJBHZ-HRAATJIYSA-N 414.496 4.476 0 1 HIAF Cc1ccc(CCN2CC[C@H](CNC(=O)c3cc(C(C)C)no3)C2)cc1C(F)(F)F 1857561257 MSAAXPJRLXKNHP-QGZVFWFLSA-N 423.479 4.420 0 1 HIAF CC(C)Oc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)cc1 12576711 SPZJKPFBFRGJGV-HXUWFJFHSA-N 400.563 4.094 0 3 HIAF COc1ccc(C(=O)N2CCCC[C@H]2c2cc(C(=O)Nc3ccccc3)no2)cc1 61931000 ULFPXXIYMOEODI-FQEVSTJZSA-N 405.454 4.303 0 3 HIAF CCN(CC)c1ncnc2sc(C(=O)Nc3ccc(OC)c(OC)c3)c(C)c12 2925856 FJJVDMFTMAMRSZ-UHFFFAOYSA-N 400.504 4.115 0 1 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 4036973 FRCONBIKIHKSBP-IFMALSPDSA-N 423.875 4.470 0 1 HIAF O=C1O[C@H](COC(=O)c2ccc(Cl)cc2)C=C1c1ccc(Br)cc1 6535478 RDYCVAXXAQRZJA-HNNXBMFYSA-N 407.647 4.268 0 1 HIAF Cc1c(C(=O)N2CCCC[C@@H]2c2cccnc2)sc2nc3n(c(=O)c12)CCCCC3 6781926 DTQVNTNPJMOKTA-QGZVFWFLSA-N 422.554 4.255 0 1 HIAF Cc1cnc(C)c(-c2cccc3c2O[C@H](CNC(=O)/C=C/c2ccc(F)c(F)c2)C3)n1 11839319 GNOYTTPECIZJSK-KOEDOTQGSA-N 421.447 4.172 0 1 HIAF CCCn1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1 13610469 BALGGUJCACDSLM-UHFFFAOYSA-N 415.501 4.127 0 1 HIAF O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCN2CCCCC2)CC1 13836739 NUXSPGYSPNCIET-UHFFFAOYSA-N 421.629 4.477 0 1 HIAF C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 22941435 JHLGZIBTXUVCIJ-FQEVSTJZSA-N 405.586 4.080 0 1 HIAF COC(=O)/C=C1\CC[C@@H](OC(C)=O)[C@](C)(CCC[C@@H](C)[C@@H](O)CC=C(C)C)OC1 27892970 SBBZPGWQQLGDRR-NEVTVUPWSA-N 410.551 4.110 0 1 HIAF CC[C@@]1(CCCCN2CCN(c3cccc(OC)c3)CC2)C(=O)Nc2ccccc21 29055355 ZBHUAHSLHYQJKX-VWLOTQADSA-N 407.558 4.288 0 1 HIAF CCC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)c(Cl)c1)N2 36271283 IPBBJWDRJMAEIL-XYJYNPGVSA-N 403.691 4.148 0 1 HIAF COC(=O)/C=C/c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 45194690 ADUGIAIXXZLOTM-UELALMBDSA-N 407.432 4.146 0 1 HIAF O=C(COc1ccccc1Br)c1ccc(NCCc2cccnc2)nc1 73196438 VZHZIEJZTLHSBW-UHFFFAOYSA-N 412.287 4.155 0 1 HIAF COc1cc2nc(NC[C@H]3CCCO3)nc(NC[C@H](C)c3ccccc3)c2cc1OC 82127366 YNOITXDVNRSCDZ-FUHWJXTLSA-N 422.529 4.454 0 1 HIAF CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2ccccn2)cc1Cl 95552174 FROPKILFCBRCRO-INIZCTEOSA-N 406.935 4.441 0 1 HIAF Sc1nnc(COc2c(Br)cc(Br)c3cccnc23)o1 96910079 QEOCYWYYFWGSKG-UHFFFAOYSA-N 417.082 4.011 0 1 HIAF O=C(O)[C@@H]1CCCN(CCO/C=C\c2cc(F)ccc2Cc2ccccc2F)C1 96923960 LFJRBVHGXKJLHK-FNUUXAGOSA-N 401.453 4.340 0 1 HIAF CC(C)=CCN1CC[C@@]2(C)c3cc(O)c(I)cc3C[C@H]1[C@@H]2C 100719932 BWXORCIRGKQZPT-SOVGHPHASA-N 411.327 4.487 0 1 HIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Br)cc1)c1ccco1 103192390 KSWVAIUTIGWOFM-HNNXBMFYSA-N 419.164 4.149 0 1 HIAF CCN(CC)C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N(CC)CC 103229276 IWSHRIZSAICDHO-SNDHGLFQSA-N 404.554 4.247 0 1 HIAF CCOC(=O)C1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 144755443 PLHOPPBTVYGGST-NRFANRHFSA-N 405.416 4.245 0 1 HIAF CCC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 169709523 FWVNGNYKPNCKQO-JTSKRJEESA-N 409.530 4.115 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccc(C)cc1 203330503 LKVVWUVWVKOYSG-FQEVSTJZSA-N 404.466 4.320 0 1 HIAF CC1(C)CCC[C@]2(C)[C@@H]3C[C@H](O)[C@@]4(C)[C@@H](CC=C5C(=O)O[C@@H](O)[C@@H]54)[C@]3(C)CC[C@H]12 238733426 ATVQOEWPZTUPDT-CBXWCNBNSA-N 402.575 4.444 0 1 HIAF CCNC(=O)Nc1onc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1 299839610 YYNDMYQLAXHUCV-UHFFFAOYSA-N 403.822 4.223 0 1 HIAF O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+](=O)c2ccc(F)cc2n1O 377825226 KCQNPZIPZPITOC-UHFFFAOYSA-N 403.311 4.335 0 1 HIAF COc1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2cc1OC 586968526 SPWDQOJOSPYVSE-UHFFFAOYSA-N 415.906 4.415 0 1 HIAF Nc1ccc(-c2ccc3nc(-c4cnn5cccc(Br)c45)[nH]c3c2)cc1N 587006366 HMOLXGFOPWLPLI-UHFFFAOYSA-N 419.286 4.472 0 1 HIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(F)cnc(Br)c4[nH]3)cc2N1 587125736 STCCZMBLXXNRES-XNCJUZBTSA-N 419.180 4.031 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cl)c3ccccc32)[C@@H]1c1ccc(F)cc1 587329547 LMKUJZVJRKGTJK-KNQAVFIVSA-N 409.800 4.286 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(Br)cc1N(C)C)CC2=O 587460630 VCIASQFOIVRTHG-QGZVFWFLSA-N 405.292 4.275 0 1 HIAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1COC[C@H]2CN(Cc2ccccc2)C1 587519259 XCBUPRKXMHZLHD-NHCUHLMSSA-N 403.522 4.048 0 1 HIAF COCCCNc1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587534684 DTAAXSGMDKEMOJ-JOCHJYFZSA-N 400.544 4.659 0 1 HIAF COc1cccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587661731 SLZLTZAPVCCDRE-UHFFFAOYSA-N 405.454 4.456 0 1 HIAF CCc1nn(CC)c2c1[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587761401 BEFKSWMDJDYPGK-ODXCJYRJSA-N 406.343 4.481 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccccc3c2O)N1 587776199 BWFVCKJPDDOFKC-CFMSYZGJSA-N 417.278 4.345 0 1 HIAF CCOC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587793494 NCXUUQGJRRACAF-ODXCJYRJSA-N 422.294 4.154 0 1 HIAF CC(=O)C[C@@H]1C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587819199 HNQAGGLZHNKYEG-GIQGCJHYSA-N 410.327 4.302 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2cn(C)nc2C)n1 587862608 FJUHVHMPTOJWLH-UHFFFAOYSA-N 414.391 4.066 0 1 HIAF C[C@H](CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)CC(=O)O 587963250 RHZZFQRLTOMCBF-GFCCVEGCSA-N 421.906 4.061 0 1 HIAF COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc(OC)c1OC(F)F 962636165 YJAWXKYOOUMZOO-BLVKFPJESA-N 423.456 4.288 0 1 HIAF Nc1ccc([C@]2(c3cc4ccccc4o3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962917407 GNKZJKNTLUGJFL-RDPSFJRHSA-N 402.425 4.045 0 1 HIAF O=C1c2ccncc2[C@]2(c3c(F)cccc3C[C@@H]3CCCN32)c2c(F)ccc(F)c21 963115205 VCJVTCKWOXZMSR-BSEYFRJRSA-N 406.407 4.356 0 1 HIAF CC(=O)N[C@@H](C)COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)nc2)o1 1772619707 WVQMYHSGPKOODW-HNNXBMFYSA-N 423.469 4.221 0 1 HIAF O=C1CCc2c(cccc2OCCCN2CCN(c3cccc4sccc34)CC2)N1 1772635443 TZHCOSMLWPDCNG-UHFFFAOYSA-N 421.566 4.377 0 1 HIAF CS(=O)(=O)c1n[nH]c(-c2ccc(Cl)c(-c3ccc(OC(F)(F)F)cc3)c2)n1 1857637652 PVCSMXCKXHPAQI-UHFFFAOYSA-N 417.796 4.094 0 1 HIAF Cc1cc(C)c2cc(C(=O)NC3CN(c4cc(Cl)ncc4Cl)C3)ccc2n1 1857759416 OJPCUCSFJQSOPQ-UHFFFAOYSA-N 401.297 4.172 0 1 HIAF Cc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(I)cc2)cc1 1911572372 ADFKGOBAIPCERX-FUHWJXTLSA-N 406.263 4.174 0 1 HIAF COc1cccc2nc(C[C@@H]3CN(C4CCC(F)(F)CC4)CC[C@@H]3CC(=O)O)[nH]c12 2356305831 LFIIITKDYALOSP-HUUCEWRRSA-N 421.488 4.105 0 1 HIAF COc1ccc(CNC(=O)c2ccc(C[S@](=O)Cc3cccc(Cl)c3)o2)cc1 6895883 OHSVRDUYOWPXSA-NDEPHWFRSA-N 417.914 4.321 0 3 HIAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1OC 774733 WPAZTZAIGOXCPH-ZDUSSCGKSA-N 400.862 4.171 0 1 HIAF CCOC(=O)CCc1ccc2c(c1)C[C@H](NC[C@H](O)c1cccc(Cl)c1)CC2 3807808 UGZLTFCKIQRBBC-YADHBBJMSA-N 401.934 4.016 0 1 HIAF investigational CCN(c1ccc(-c2csc(Cc3nc4ccccc4[nH]3)n2)cc1)S(C)(=O)=O 7119285 JTUDZOGYKCLCND-UHFFFAOYSA-N 412.540 4.063 0 1 HIAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(O)cc1 26955317 HMUJTAJHDZMXNI-YOGQACPKSA-N 408.542 4.244 0 1 HIAF Nc1ccc(-c2[nH]c(S(=O)(=O)C(F)(F)C(F)F)nc2-c2ccc(F)cc2)cc1 40640589 JSZFOPYQNRDZQH-UHFFFAOYSA-N 417.359 4.097 0 1 HIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1C(F)(F)F 58591577 AKVGOJGKVFSSNR-KRWDZBQOSA-N 411.420 4.455 0 1 HIAF CCn1c(=O)n([C@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)c2ccccc21 71296405 IOQQNBHFWBPNSF-FQEVSTJZSA-N 413.525 4.430 0 1 HIAF c1ccc(-n2cc(-c3ccnc4cc(OCCCN5CCOCC5)ccc34)cn2)cc1 84635406 OKLQKPXLFSKNAI-UHFFFAOYSA-N 414.509 4.189 0 1 HIAF CCCCCO[C@@H]1OCc2c(cc3n(c2=O)Cc2cc4ccccc4nc2-3)[C@@]1(O)CC 84690608 KLXJLCYUUHKOOG-RPBOFIJWSA-N 420.509 4.086 0 1 HIAF COc1cc(C)c(Nc2nc(Cl)cn([C@@H](COCCF)C3CC3)c2=O)cc1C 95602241 KCTCWMYRRDHZRX-INIZCTEOSA-N 409.889 4.203 0 1 HIAF O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2cc(Cl)c(C(F)(F)F)cc2N1 101145609 PXTUROXJUIVEOU-UHFFFAOYSA-N 405.767 4.403 0 1 HIAF C[C@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 103254462 NICLXZKJEORIJZ-NJSLBKSFSA-N 415.440 4.365 0 1 HIAF O=C(c1cc(Br)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 144715526 DVJYVUPJMPKFGF-QGZVFWFLSA-N 412.205 4.074 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(C)(C)C)c3)C2)cc1 169709797 NRRQVJWVFVAQPS-HTAPYJJXSA-N 411.546 4.361 0 1 HIAF Cc1ccc2nc(-c3cn4c(C)nnc4c(NC(C)C)n3)n(Cc3ccccn3)c2c1 209315446 CUVAZMTZHFSHFL-UHFFFAOYSA-N 412.501 4.021 0 1 HIAF O=c1c(-c2ccc(O)cc2)nc2c(Cc3ccccc3)[nH]c(Cc3ccc(O)cc3)cn1-2 238760577 IVARZLKZKCBORL-UHFFFAOYSA-N 423.472 4.258 0 1 HIAF Cc1cnc(Cl)c2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc12 586959215 JQRRIRRIWHUCBD-QHCPKHFHSA-N 412.740 4.423 0 1 HIAF COc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1F 586960293 ODGHCSSWHPTIEY-XMMPIXPASA-N 411.296 4.214 0 1 HIAF Cc1ccc(CSCCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 586971842 YSRNUUTVAPOGGN-UHFFFAOYSA-N 405.527 4.407 0 1 HIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2C1 587032064 OTJWXKOGWPHHTE-UHFFFAOYSA-N 417.462 4.422 0 1 HIAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)OCO3 587091704 NNWHFLLDIVOQGU-UHFFFAOYSA-N 405.254 4.314 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(c3nccs3)CC2)[C@@H]1c1ccc(F)cc1 587375244 LTFXYMDIMMPCGZ-LJQANCHMSA-N 410.470 4.386 0 1 HIAF CC(=O)Nc1cccc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511719 NAIZMDMSHUEYDM-AKNQKSQZSA-N 404.510 4.460 0 1 HIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1NC(C)=O 587744188 QYPRCBBQBWSDSW-YBTHPKLGSA-N 421.310 4.353 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCNC(=O)OC(C)(C)C)N1 587755431 OFYQFTPYXZWAAC-BBATYDOGSA-N 401.320 4.252 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587758194 BYAJLFWRUJOKCH-PSTGCABASA-N 413.331 4.421 0 1 HIAF Cc1nn(-c2ccccc2)c(N)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587758624 QZTYIJASIBOJKD-WYRIXSBYSA-N 415.310 4.288 0 1 HIAF CCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587797603 WJWVETWQXWLLIO-FKIZINRSSA-N 408.311 4.493 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)OCc2ccccc2)N1 587801196 JNPGRHBLXIQKJX-ZUOKHONESA-N 406.295 4.471 0 1 HIAF Cc1cc2c(cc1C)[C@]1(CC(=O)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587838601 OIGNDFBSBOFSFQ-FKIZINRSSA-N 404.279 4.292 0 1 HIAF Cc1cc(C)cc([C@]2(CCCC(=O)O)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962727819 BASIIPMBLDOIDE-UGKGYDQZSA-N 419.443 4.448 0 1 HIAF NC(=O)CCc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 1772636059 JJYYXWPJWASXGL-UHFFFAOYSA-N 401.392 4.401 0 1 HIAF CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(OC)cc3)n2)cc1 1857592935 LVKLPSKKFWICOI-UHFFFAOYSA-N 423.494 4.381 0 1 HIAF C[C@@H]1CN(C(=O)Cc2ccccc2)CCN1C(=S)Nc1ccc(C(F)(F)F)cc1 1857619600 GRHVCFOZXHUVSU-OAHLLOKOSA-N 421.488 4.178 0 1 HIAF OC[C@H](NCCCCOCCCCc1ccccc1)c1ccc(O)c2nc(O)ccc12 1857771416 HNFMFCCGXBVVCF-QFIPXVFZSA-N 424.541 4.089 0 1 HIAF COc1cc2c(c(OC)c1O)[C@H]1O[C@@H](c3cc4c(c(OC)c3-2)OCO4)[C@@H](C)[C@H]1C 2356561126 QITMVOBKZVSKFM-NMGJGFRUSA-N 400.427 4.212 0 1 HIAF CC1=CC(=O)OC1=C[C@H](O)[C@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@@H]3C(C)(C)CCC[C@]23C)O1 2356727497 HXIGCIAAEQXXQZ-VUSMQQCRSA-N 418.574 4.276 0 1 HIAF CC(=O)OC1=C[C@]2(OC1=O)[C@H](C)CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C 2356839230 LRXVNKHVSMZEPI-AYRWCWNNSA-N 404.547 4.379 0 1 HIAF CC(C)(C)NC(=O)[C@H](c1ccccc1F)n1c(=O)c(-c2ccco2)nc2ccccc21 95571116 FJRLTZKWQAXEAI-NRFANRHFSA-N 419.456 4.300 0 3 HIAF Cc1ccc(OCC(=O)Nc2cc(-c3nccs3)nc(-c3ccc(C)o3)n2)cc1 29041636 WLQRARSNWWFZFK-UHFFFAOYSA-N 406.467 4.494 0 1 HIAF CCN(Cc1nc(C)no1)c1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12 35878845 MFLCCPMKMSCQMJ-UHFFFAOYSA-N 406.490 4.048 0 1 HIAF COCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 82145241 AOUCHGVBSUVBDR-AGKXRFJRSA-N 422.573 4.311 0 1 HIAF O[C@H]1CCCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1 96174014 YGTPYDLLWKYNHH-IBGZPJMESA-N 424.508 4.010 0 1 HIAF COCc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 96933203 YZHIGUYRISCRJU-UHFFFAOYSA-N 419.190 4.454 0 1 HIAF CCCCNc1ncc(NC(=O)c2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 103239250 IQJYTBNFPSQTDY-RHNCMZPLSA-N 414.529 4.009 0 1 HIAF Cc1cc(OCCCN2C[C@H]3CN(C)[C@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 195360695 ZHACVDSMPRHWEQ-VGSWGCGISA-N 408.521 4.001 0 1 HIAF CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1 206638249 VGWLAVXDFVZWSA-UHFFFAOYSA-N 417.513 4.189 0 1 HIAF Cc1nc2ccncc2n2c(-c3cc(COCC(F)(F)F)ccc3Cl)nnc12 299867838 QOLZGTXIVBMXSC-UHFFFAOYSA-N 407.783 4.380 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1[C@H]2CC[C@@H]1c1nnc(-c3ccc[nH]3)n1C2 473227466 KAWKWWBPBHTSNV-IINYFYTJSA-N 421.810 4.305 0 1 HIAF O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1NC(=O)C(F)(F)F 473247190 BBCDVVKDWMPIDJ-UHFFFAOYSA-N 408.767 4.279 0 1 HIAF COC(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586960877 QNWWDGGAMPNYCD-LJAQVGFWSA-N 404.491 4.388 0 1 HIAF Cc1cc(-c2nc3c(N)nccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061446 MADITNSWSNOHHJ-UHFFFAOYSA-N 403.877 4.270 0 1 HIAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(COC(F)(F)F)[nH]c2c1 587125165 QRWRQEVADUBPIG-UHFFFAOYSA-N 405.785 4.054 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(C(=O)O)c4[nH]3)cc2)cc1F 587147673 QHBHAGURYOSXHW-UHFFFAOYSA-N 417.440 4.408 0 1 HIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(I)c2[nH]1 587174460 JLCMWMPFPGKJCF-ZDUSSCGKSA-N 420.229 4.030 0 1 HIAF Fc1nc(Cl)ccc1-c1nc2c(I)cnc(Cl)c2[nH]1 587177532 LVUHJVIJKKMEGH-UHFFFAOYSA-N 408.989 4.070 0 1 HIAF CSc1nccc(C[C@@]2(c3ccc(F)cc3)CC(=O)c3cc(C)cc(N)c3O2)n1 587384042 JIRHUKSLQQNZJW-QFIPXVFZSA-N 409.486 4.332 0 1 HIAF CCc1cc(=O)oc2cc(O[C@@H](C)[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc12 587410603 YRUKOFPEKWWIPR-LFPIHBKWSA-N 407.466 4.437 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCN4CCCC[C@@H]4C)cc1)[C@@H](C2)C3=O 587439837 WUANSFAENRAQBF-WZSOFCAESA-N 407.510 4.437 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(/C=C\C(=O)O)=COc2cc(C)ccc21 587494494 YNNKABAEDGJPGQ-BNHFJAFVSA-N 406.434 4.431 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ncon2)cc1 587591920 XKTZPMQBMCXLNV-NZQKXSOJSA-N 416.389 4.057 0 1 HIAF COC(=O)[C@@H]1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587597365 YVYHCFPHUNGCRU-HKGBXIQFSA-N 416.429 4.300 0 1 HIAF CN1C(=O)CCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587599107 ZQUCZTYNQVNZDE-XUZZJYLKSA-N 401.418 4.004 0 1 HIAF COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)O[C@@H](C)C2 587617941 RPHZAXDSQNCHTD-ARBTULSASA-N 404.418 4.427 0 1 HIAF O=C(c1cn2cc(Cl)ccc2n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658992 WQHIAEXGKTXDFC-UHFFFAOYSA-N 418.815 4.192 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2ccnc2)(c2cccc(F)c2)N1 587736369 ZNAKPHVUCNYQKJ-ZUOKHONESA-N 418.285 4.402 0 1 HIAF CCOC(=O)[C@H](C)n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587754803 MVALNMSLBRJMPF-FTLABTOESA-N 409.299 4.137 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ncon3)cc2)N1 587790971 DQSKIQFJTAFZQV-NSPYISDASA-N 418.266 4.174 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(-c2cnco2)cc1 587868113 UVXCHHLWZDFGRS-UHFFFAOYSA-N 414.343 4.316 0 1 HIAF O=CN(C=O)C[C@]1(C2CCC(F)(F)CC2)c2ccsc2CCN1Cc1ccco1 962702658 GAZBCIKIBISOFW-NRFANRHFSA-N 422.497 4.035 0 1 HIAF Cc1c(F)cccc1[C@]1(CCCC(=O)O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962731413 RMDUMWXLKHCVGB-RXVVDRJESA-N 423.406 4.278 0 1 HIAF COc1cc2c(cc1OC)[C@@](COC=C(F)F)(C(C)(C)C)NCC21CCOCC1 963194031 WKNRROVUZWUBIC-QFIPXVFZSA-N 411.489 4.351 0 1 HIAF CCOC(=O)c1cc(-c2ccccc2C)nn1C[C@@H]1CC(c2ccc(OC)cc2)=NO1 36387843 WZWJOVSSEASJME-IBGZPJMESA-N 419.481 4.237 0 3 HIAF O[C@H]1CN(Cc2cccs2)[C@@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(C2CC2)nn1 61923843 POGGJSCXAAFIMY-HKBOAZHASA-N 414.962 4.420 0 3 HIAF Cc1ccc(CN2CCCC[C@H](NC(=O)c3ccc(Br)cc3)C2=O)cc1 200052620 HODOZTLSVXZGIN-IBGZPJMESA-N 415.331 4.069 0 3 HIAF CCCCNc1ccc2c(cc1=O)[C@@H](NC)CCc1cc(OC)c(OC)c(OC)c1-2 2101760 OYYXABWKLNADAF-SFHVURJKSA-N 412.530 4.158 0 1 HIAF biogenic C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cc3sccc3n2C)C1)c1ccccc1 5085126 QKQGHEHOAXQCJF-FUHWJXTLSA-N 409.555 4.012 0 1 HIAF CCN1c2ncc(COc3ccnc(C)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 5883791 QTKKWORDBGQVCP-UHFFFAOYSA-N 409.877 4.160 0 1 HIAF NC(=O)C1CCN(C(=O)c2cc(-c3ccccc3)c(N3CCCCCC3)s2)CC1 20985790 YJVGUNVBJRAGKE-UHFFFAOYSA-N 411.571 4.133 0 1 HIAF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1N 36189182 BCKQSIZBCMVWRU-VNZDNBOKSA-N 407.558 4.121 0 1 HIAF Cc1ccccc1CSc1nc(N[C@@H](CO)CC(C)C)c2sc(N)nc2n1 38447854 GKQBTCUQPKTXTC-CQSZACIVSA-N 403.577 4.088 0 1 HIAF CC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccccc3)c3ccccc23)n1 40395360 AGBOOTRNDCNVTR-UHFFFAOYSA-N 405.458 4.159 0 1 HIAF CCN(CC)S(=O)(=O)c1cccc(-c2ccc(CCN3CCC[C@H]3C)cc2)c1 43121195 BKHMOUFGCCWIFM-LJQANCHMSA-N 400.588 4.411 0 1 HIAF NC(=O)c1ccc2c(c1)CCCN2c1cccc(C(=O)NCCC2=CCCCC2)c1 66251461 LPMUAJZQFSNIBG-UHFFFAOYSA-N 403.526 4.490 0 1 HIAF C[C@@H](C(=O)NCc1ccc([C@H]2C=CCC2)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73239788 XLVSBBAKCTYGEW-WBVHZDCISA-N 416.518 4.051 0 1 HIAF CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@@H]1CO 95877791 WWYFAIVXZSSBQR-FGCOXFRFSA-N 408.517 4.383 0 1 HIAF Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccc(C)cc5)C[C@@H]3N4)cc2)cc1 100101450 ALEIHYGBZVYSTE-LNWKWYTESA-N 418.562 4.099 0 1 HIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1)c1ccccc1O 103220839 DILQBZZOWXNCEV-KRWDZBQOSA-N 400.751 4.152 0 1 HIAF CC(C)CN(Cc1ccc(NC2CCOCC2)cc1)S(=O)(=O)Cc1ccccc1 147292551 VEBPANOYYMMEQY-UHFFFAOYSA-N 416.587 4.266 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@H](F)C[C@]4(C)[C@H]3CC[C@]12C 169370395 JPOAJVXSZNVFCE-PTMPKCOBSA-N 406.586 4.282 0 1 HIAF N[C@H]1CC[C@H](Nc2nccn3c(-c4cccc(NCc5ccccc5)n4)cnc23)CC1 169701255 RXJTUDKETVEJBC-KDURUIRLSA-N 413.529 4.085 0 1 HIAF COc1cc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc(C(F)(F)F)c1 205764199 HOMFPISZZYQNIE-CQSZACIVSA-N 406.404 4.322 0 1 HIAF C[C@H]([C@@H]1C[C@@H]1C(=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@@]12C 299848592 SPBCVLSZAPVLJN-PLRZDPQBSA-N 404.591 4.334 0 1 HIAF Cn1cccc1CNc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1Cl 299856371 BQNPEXRPYHWVPQ-UHFFFAOYSA-N 414.981 4.381 0 1 HIAF CN1CCN(c2ccc3nc(-c4cc(Br)c(F)cc4F)[nH]c3c2)CC1 587136351 OXDZGRKKIXTWPH-UHFFFAOYSA-N 407.262 4.022 0 1 HIAF Fc1ccc(OCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 587167862 ABXJZZWELUVDSP-UHFFFAOYSA-N 401.033 4.201 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cncc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587240472 UIGVBNJOQQGOKY-ORBZYBPHSA-N 406.914 4.166 0 1 HIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587242038 NWVCKAZEUXSVNO-UHFFFAOYSA-N 424.501 4.115 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c2ccc(F)c3F)[C@H]1c1ccc(F)cc1 587338005 SSTTVPRFIJJABJ-JTSKRJEESA-N 411.335 4.016 0 1 HIAF Cc1c(F)ccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339337 VMKYTKRVTZKCOV-AUSIDOKSSA-N 407.372 4.185 0 1 HIAF C[C@@]1(CC(=O)Nc2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553220 UKUTWCBIXWNJJU-UGKGYDQZSA-N 424.840 4.190 0 1 HIAF O=C(O)c1ccc2c(c1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611312 SBVQBGNQSQBTOR-GBXCKJPGSA-N 402.402 4.284 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sc(N)nc2C(F)(F)F)N1 587712294 KMWYXQGZOYMENV-DXRPGJJCSA-N 424.261 4.443 0 1 HIAF CCOc1ccc(OCC)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587779264 ZSJKFVKHXSGVFT-UHFFFAOYSA-N 405.458 4.087 0 1 HIAF CCC/N=c1\c(NC(=O)c2ccc(OCC)c(OCC)c2)c(O)oc2ccccc12 617996280 OKXRQYANAQXQMA-GFMRDNFCSA-N 410.470 4.499 0 1 HIAF COc1ccc([C@]2(C(C)C)N[C@H](C(=O)O)Cc3cc(F)ccc32)c(Br)c1 962898700 MLZDQUHUUOBIMB-AZUAARDMSA-N 422.294 4.095 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(c1csc(C)n1)N(C(=O)c1ccccc1N)CC2 963159006 UJIKFFNUZFOGNQ-HSZRJFAPSA-N 423.538 4.013 0 1 HIAF CCc1ccc(COc2ccc(C3CN(C(=O)c4ccncc4)C3)cc2OC)cc1 1857608473 ABEFACCBCLLXBU-UHFFFAOYSA-N 402.494 4.471 0 1 HIAF Cc1cc(COc2c(Cl)cc(-c3ccnc(N4CCNCC4)c3)cc2Cl)no1 1857628071 MPJRBJXFDRBDRT-UHFFFAOYSA-N 419.312 4.340 0 1 HIAF CCc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C)C(=O)c1ccccc1F 61904670 VCIYHEXKDICOBY-UHFFFAOYSA-N 411.477 4.306 0 3 HIAF Brc1ccc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)cc1 199271247 SYNDXNGORQTBLT-UHFFFAOYSA-N 423.358 4.152 0 3 HIAF COc1cccc(CN2C(=O)COCc3cc(-c4ccc(OC)c(OC)c4)ccc32)c1 205227602 UKPDRZJXZZPKIN-UHFFFAOYSA-N 419.477 4.443 0 3 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 772681 WVDHYDWJNMTVKR-QUCCMNQESA-N 411.914 4.392 0 1 HIAF COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC 4053985 YDIADUIWFSNXQL-LADGPHEKSA-N 416.477 4.112 0 1 HIAF COc1ccc2c(c1OC)[C@H](CC(=O)O)N(C)c1c-2ccc2cc3c(cc12)OCO3 13458990 OZWQDEDYZWNLMM-INIZCTEOSA-N 407.422 4.218 0 1 HIAF endogenous,in-man CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1 13835443 YYZJJQLIOBCYAE-UHFFFAOYSA-N 421.545 4.371 0 1 HIAF COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(Cl)c(O)c(C)c2OC)c(C)c1O 15203265 VKNWRQWOWXLHNW-UHFFFAOYSA-N 422.861 4.308 0 1 HIAF biogenic CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(OC(C)(C)C(=O)O)cc2)cc1 26397563 HNYWZTXDOQOOCV-UHFFFAOYSA-N 401.419 4.141 0 1 HIAF CCC1(CC)CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(Cl)c2)CC1 27209261 AFCWKTHKVQUQFI-SFHVURJKSA-N 422.953 4.168 0 1 HIAF COc1cc(N[C@H](C)CCCN2C(=O)[C@H](CC(C)C)NC2(C)C)c2ncccc2c1 28475059 VSVHYNLJRIQUHK-UTKZUKDTSA-N 412.578 4.407 0 1 HIAF Cc1cc2c(CO)c(CCCCC(=O)O)n(CCc3ccccc3)c2cc1C(=O)O 29037393 GSHUXALZYZULQD-UHFFFAOYSA-N 409.482 4.180 0 1 HIAF CCc1nnc(NC(=O)C2(C[C@H](CCc3ccccc3)C(=O)O)CCCC2)s1 34803265 USJQBYSRQCMORE-INIZCTEOSA-N 401.532 4.323 0 1 HIAF Cc1cc(Cl)cc2c1S(=O)(=O)N[C@@H](C(=O)c1ccc3ccccc3c1)S2 40848918 XPBQTJKKSXHOFS-LJQANCHMSA-N 403.912 4.395 0 1 HIAF CC1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](c2cccc(O)c2)NC(=S)N1 103294995 GHOBITXPHSKDFC-MRXNPFEDSA-N 408.310 4.131 0 1 HIAF O[C@@H](c1ccccc1)c1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 169307422 FHOSEIJBNAXYFY-SFHVURJKSA-N 407.495 4.164 0 1 HIAF COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(F)cc1 299878738 JQCDMIRMFIZVRY-YEZOGFKJSA-N 415.461 4.231 0 1 HIAF Cc1ccc2c(ccc3nc(-c4sccc4S(=O)(=O)NCc4ccco4)[nH]c32)n1 586946095 QZNBFODBFYENIV-UHFFFAOYSA-N 424.507 4.220 0 1 HIAF N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(F)c(Br)c2[nH]1 586984953 WSRYBJVVRCFBET-NSHDSACASA-N 413.088 4.470 0 1 HIAF OCCc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985222 LSXHJAVGESOEKM-IBGZPJMESA-N 400.320 4.045 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3cccc(F)c3C(F)(F)F)nc-2[nH]1 587096829 BXOGXZRDRWNAEJ-UHFFFAOYSA-N 403.339 4.447 0 1 HIAF CCOc1cc(/C=C/c2nc3nc(Br)c[nH]c-3n2)ccc1OC(F)F 587128989 AFOGQSXNOOGCPM-GQCTYLIASA-N 411.206 4.238 0 1 HIAF COC(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2c1 587145421 YBVFBJBMBGVZHL-UHFFFAOYSA-N 404.397 4.395 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1-c1cccnc1)[C@@H](C2)C3=O 587430762 GSLDLUKDGHHGOZ-RXFWQSSRSA-N 423.472 4.491 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOC(C)=O)c(OC)c1)CC2=O 587477624 DKGGHIKDUDSPNM-OAQYLSRUSA-N 414.454 4.002 0 1 HIAF CC(C)(C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)NC(=O)OC(C)(C)C 587570824 JNOCQSVMNBIQJU-QZTJIDSGSA-N 413.470 4.416 0 1 HIAF Cn1ccnc1[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571356 NFRUBYZERQLAKC-HYBUGGRVSA-N 416.408 4.170 0 1 HIAF CCOCCCN1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)C1 587757686 BCFYIEKYMVBCKC-SIFCLUCFSA-N 413.375 4.086 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(c3ccccc3)C(=O)C2)N1 587771801 XTXJNESQJZSNKT-RNODOKPDSA-N 403.295 4.145 0 1 HIAF COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)=O 587804520 BOJXFIATBDBUHP-XTZNXHDOSA-N 408.267 4.146 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)nn1C(F)F 587861939 YIQSEXWAZSVWAZ-UHFFFAOYSA-N 400.307 4.166 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCc1ccccn1 587867156 WJXOHNNSAWSIFU-UHFFFAOYSA-N 420.460 4.328 0 1 HIAF CCOC(=O)[C@@]1(C2CCCC2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962637646 OSOANMZRTFDLDT-JYFHCDHNSA-N 404.554 4.382 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1c(C)nn(C(=O)OC(C)(C)C)c1C 963052287 ZZCFEMGFVPJFGX-NRFANRHFSA-N 408.502 4.075 0 1 HIAF COc1cccc(OC)c1[C@@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186536 KYOZPCRYZYBOBV-APPDUMDISA-N 415.795 4.064 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C(=O)[C@@H](c2ccccc2)Nc2ccccc21 963639414 VCEBJRUYZMLPRQ-SJZLBXHKSA-N 414.505 4.218 0 1 HIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)C3CCCCC3)c2cn1)c1ccccc1 1772653701 PPXZRVNTIVNVFD-CQSZACIVSA-N 406.490 4.359 0 1 HIAF CC(C)=CCC/C(C)=C\CCC(C)=CCNCCCN1CCN(CCCN)CC1 1911575489 QMVPTVNOXHEJMT-LESBAYQLSA-N 404.687 4.352 0 1 HIAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 2356320957 BCQHIWWGPXPPHZ-TUNNFDKTSA-N 400.538 4.213 0 1 HIAF COCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1 61904465 KYLFPZUJROWIGC-SFHVURJKSA-N 414.590 4.041 0 3 HIAF Cc1cccc(Cl)c1NC(=O)[C@]1(C)CSCC(=O)N1Cc1ccc(F)cc1 205859257 IAKZJRGDSLJAOV-FQEVSTJZSA-N 406.910 4.260 0 3 HIAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1OC 4732836 WSPVJOZVNFELSM-UHFFFAOYSA-N 409.467 4.048 0 1 HIAF O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2c(=O)[nH]c3ccccc3c2s1 4929485 JOEOXMSELRVLCK-UHFFFAOYSA-N 417.534 4.137 0 1 HIAF COc1ccc(OC)c(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)c1 9673247 KPFHONCJPCQEIY-LEWJYISDSA-N 422.506 4.315 0 1 HIAF Cc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CO)o2)ccc1-c1cnco1 13490398 MUERJWHSRJZBOP-UHFFFAOYSA-N 404.426 4.004 0 1 HIAF O=C(SCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1 27300808 DQEFPMAYIWMEDM-DYXWJJEUSA-N 415.580 4.121 0 1 HIAF CCCC[C@H](O)C/C=C/[C@H]1[C@H](SCCO)CC(=O)[C@@H]1CCCCCCC(=O)O 28018145 VMQWEIBVVQEQMD-KSNHIAQSSA-N 414.608 4.208 0 1 HIAF CN(C/C=C/COc1ccc(C(=O)c2ccc(Br)cc2)cn1)C1CC1 28711484 MCJBAQJSAXKSJF-NSCUHMNNSA-N 401.304 4.104 0 1 HIAF O=C(OCCCc1ccccc1)c1cc(-n2cc(-c3cccc(O)c3)nn2)ccc1O 53294571 RPJCBGQGFQHBFX-UHFFFAOYSA-N 415.449 4.135 0 1 HIAF COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 59075581 JGUXTBZXZYREIK-QHCPKHFHSA-N 421.522 4.007 0 1 HIAF O=C1CN(C(=O)c2cccc(Cl)c2Cl)CCN1Cc1ccc(F)cc1Cl 59280309 ZITTYGKZWQLLEF-UHFFFAOYSA-N 415.679 4.271 0 1 HIAF CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCCCc3ccccc3)ncnc21 82181829 IPVJODQMRAWADT-FQEVSTJZSA-N 404.562 4.233 0 1 HIAF CC(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1 82185806 KQMLRDWRONBXTC-UHFFFAOYSA-N 410.541 4.262 0 1 HIAF c1ccc([C@@H]2CCCN(c3nnc(N4CCC(N5CCCCC5)CC4)s3)C2)cc1 84759302 UKXQJJDASUHIPZ-HXUWFJFHSA-N 411.619 4.377 0 1 HIAF CC(=O)N1C[C@H]2C[C@@H]1CN2Cc1cc2ccc(Oc3nc4cnccc4s3)cc2o1 95598151 IMLKPKQTIDHVCY-HZPDHXFCSA-N 420.494 4.035 0 1 HIAF O=C1CCCCCCCCCC[C@H](NS(=O)(=O)Cc2ccccc2)CCCN1 103204993 NZTMPMAWIYHBHD-NRFANRHFSA-N 408.608 4.286 0 1 HIAF COc1cc(CN2C(=O)[C@H](C)C[C@@H]2c2c(OC)cccc2OC)ccc1OC(F)F 167382671 HNDLNRVVUUYXHR-UKRRQHHQSA-N 421.440 4.424 0 1 HIAF COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 169695443 NDHLMKVKIRPOHC-VXKWHMMOSA-N 417.461 4.454 0 1 HIAF COc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(C)=O)ccc1OCc1ccccc1Cl 169729876 LZSOLPNUSPRBNW-PMACEKPBSA-N 400.862 4.358 0 1 HIAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cc1-c1cccc(C)c1 261175844 UVRNYFQVJGQUPP-NRFANRHFSA-N 404.466 4.320 0 1 HIAF COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1cccc(-c2ccccc2)c1 473155261 QXJBSFDGTDBAGL-UHFFFAOYSA-N 421.888 4.142 0 1 HIAF CC(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 586934757 AQROXOHHOWKFOB-SFHVURJKSA-N 405.907 4.095 0 1 HIAF O=C(O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026538 LLGFKNDZMMQUFZ-OLMNPRSZSA-N 409.511 4.398 0 1 HIAF Fc1cc(CCc2nc3cccc(I)c3[nH]2)cc(F)c1F 587138003 BDDBIBORVONVOK-UHFFFAOYSA-N 402.157 4.370 0 1 HIAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cncc(Cl)c2[nH]1 587167009 DRDDPOPXUNJXSL-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)ncc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238350 CJYQMQCYEMIDER-SZELWCTASA-N 406.914 4.166 0 1 HIAF C[C@]1(c2cccc3nc(N)oc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333953 JFPWXKYUUNLUBV-WMZHIEFXSA-N 404.397 4.529 0 1 HIAF C[C@]1(c2cc(CC(=O)O)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374513 KRKNTSRALSAGOB-IFMALSPDSA-N 412.438 4.494 0 1 HIAF CCc1cc(=O)oc2cc(O[C@@H](C)[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc12 587410601 YRUKOFPEKWWIPR-BSEYFRJRSA-N 407.466 4.437 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4ccc(Br)cc41)[C@@H](C2)C3=O 587417153 JJHLHHAQTMKAFT-MGPUTAFESA-N 401.256 4.273 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc4nccc(NC(=O)C(C)(C)C)c4o1)[C@@H](C2)C3=O 587433509 RNOOUZVAQSPXIH-RBZFPXEDSA-N 406.438 4.310 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(C(=O)O)o4)cc1)[C@@H](C2)C3=O 587456402 UQVPLRKJJGCDLF-JTSKRJEESA-N 406.390 4.054 0 1 HIAF CS(=O)(=O)C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531184 JCORFMZMSKVITF-OAQYLSRUSA-N 404.915 4.124 0 1 HIAF CCOP(=O)(C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC 587608691 RVSMZSKBTFMGRQ-FXAWDEMLSA-N 406.371 4.379 0 1 HIAF CCOc1ccc(NCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587659737 BWKPSLYWIYGOAK-UHFFFAOYSA-N 417.440 4.354 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)NC(=O)OC(C)(C)C)N1 587756666 RVWDKGDRCKEAJT-MEBBXXQBSA-N 401.320 4.467 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(C)o2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828455 NJXHTCYLLXJIRJ-WLRWDXFRSA-N 410.283 4.221 0 1 HIAF COC(=O)Cc1cc(OC)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1OC 587945421 LEKZFWJGVUNSBK-GOSISDBHSA-N 401.434 4.175 0 1 HIAF Cc1csc([C@@H](C)Oc2cc(-c3cc(N4CCC4)nc(C4CC4)n3)cnc2N)n1 653685019 IZSWOHGDYNYOSX-CYBMUJFWSA-N 408.531 4.113 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccnc2S(=O)(=O)c2ccccc2)N1 962958010 ZTTDTARVLLRMIV-ZHRRBRCNSA-N 417.534 4.409 0 1 HIAF COc1ccc2c(c1OC)[C@]1(CC(=O)C[C@@H](c3ccccc3)C1)NCC21CCOCC1 963197061 XUSXDBVQVIYJQT-BCHFMIIMSA-N 421.537 4.087 0 1 HIAF C[C@@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC(Oc2cccc(Cl)c2)C1 1772571386 RWXMPGCFTCWUAG-ZDUSSCGKSA-N 413.909 4.125 0 1 HIAF COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-c3cc(OC)cc(OC)c3)c2)c1 1772585869 DEDBSQNQNPOMHQ-UHFFFAOYSA-N 408.454 4.408 0 1 HIAF CCC(F)(F)c1cccc(NC(=O)[C@H]2C(=O)N(c3ccc(OC)cc3)N=C2C)c1 1857551056 QZWANEJKOYSHCS-SFHVURJKSA-N 401.413 4.174 0 1 HIAF Cc1ncc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)n1C 12306358 JPHPQMJPTFSEGS-FQEVSTJZSA-N 406.505 4.385 0 3 HIAF O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 4076571 YJTJIBHGZGNJIX-FPOVZHCZSA-N 410.857 4.220 0 1 HIAF O=C1Nc2ccccc2CCN1CCC1CCN(C[C@@H]2COc3ccccc3O2)CC1 12356414 AVPPBLUOVDZTAO-OAQYLSRUSA-N 421.541 4.019 0 1 HIAF Cc1c(Cl)cccc1N1CCN(CCCOc2ccc3c(c2)NC(=O)CC3)CC1 27722036 OGSRFGCTVHVWJF-UHFFFAOYSA-N 413.949 4.124 0 1 HIAF CCCCNC(=O)C[C@]1(C)[C@@H](OC(C)=O)CC[C@@H]1[C@H]1CCc2cc(OC)ccc2C1 28364912 GCRKAIRLYFHXKY-APWUFGDNSA-N 415.574 4.455 0 1 HIAF CCCCC(=O)Oc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2 33493257 WSUDNMRTMIMGRZ-UHFFFAOYSA-N 406.458 4.183 0 1 HIAF O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(F)cc(F)c1 40845043 VGJPWAZNELOPNH-UHFFFAOYSA-N 407.008 4.448 0 1 HIAF CC(C)CC(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72142855 UTYCTJCCQWISPS-NRFANRHFSA-N 420.479 4.212 0 1 HIAF CC(C)c1nccn1C[C@@H](O)COc1ccccc1C(=O)CCc1ccc(F)cc1 73159635 AAFNWBJIDZAMLN-HXUWFJFHSA-N 410.489 4.401 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)OC)C3)co2)cc1 82069588 OGRMSEGGMMWRGG-SFHVURJKSA-N 414.502 4.326 0 1 HIAF O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)c1cccc(F)c1 84634638 QFMZCKQBEUMUCY-UHFFFAOYSA-N 423.492 4.416 0 1 HIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(Br)ccc1F 104060318 CWEHJVCECNZCKR-VZHUHSAUSA-N 409.259 4.461 0 1 HIAF CCS(=O)(=O)N(Cc1ccc(F)c(OC)c1)c1sc2ccccc2c1[C@H](C)O 115232820 XZHVWLPXHDSJIL-ZDUSSCGKSA-N 423.531 4.459 0 1 HIAF Cc1nc(N[C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc(-c2ccc3ncsc3c2)n1 142172980 WORRPWHALMPZBL-LBPRGKRZSA-N 414.498 4.415 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CCNC(=O)CC3)nn2-c2ccccc2)c1 169707194 CWMOYLOAJILGNK-IBGZPJMESA-N 416.525 4.347 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCC(C)(C)C4)n3)C2)cc1 169709925 LSNPMGDZOMLTCQ-PGRDOPGGSA-N 422.573 4.173 0 1 HIAF CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ncc(-c4ccccc4)o3)n2)cc1 205425467 FFAHJLYXBNJYCX-UHFFFAOYSA-N 420.494 4.230 0 1 HIAF CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1[C@@H](C)O 217846938 RYXCQMCDTUCUJT-GFCCVEGCSA-N 412.515 4.100 0 1 HIAF CCCCOc1cc(OC)c(/C=C2\SC(=O)N(C)C2=O)cc1Br 299836702 HMEXYDBAMFLKJX-ZSOIEALJSA-N 400.294 4.303 0 1 HIAF O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)Nc1nc2ccccc2o1 473090812 AOWFCGQCZANBPP-UHFFFAOYSA-N 412.921 4.412 0 1 HIAF O[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C1CCOCC1 586912644 FJTYQTPGRLWYOH-IBGZPJMESA-N 417.303 4.364 0 1 HIAF CC(C)CCOc1ccc(Br)cc1-c1nc2c(O)nc(S)nc2[nH]1 586981755 NYWPYUYKOLIDQA-UHFFFAOYSA-N 409.309 4.202 0 1 HIAF Brc1ccc([C@H](c2nc3cc4c(cc3[nH]2)OCO4)N2CCCC2)cc1 586984522 GNDWYIKDWDZGKI-GOSISDBHSA-N 400.276 4.239 0 1 HIAF Cc1ccc(-c2nc(-c3nc4cc(I)cnc4[nH]3)cs2)o1 587016227 IBWANAFIBQJWJT-UHFFFAOYSA-N 408.224 4.254 0 1 HIAF COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587024506 AXPNSDTZNGPQCC-BEVDRBHNSA-N 423.538 4.486 0 1 HIAF Nc1c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)sc2cc(Br)ccc12 587030272 CDTHCCOWQWEPRP-UHFFFAOYSA-N 400.261 4.371 0 1 HIAF CC[C@H](Oc1ccccc1F)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 587154990 IATYJGUGXOSBJV-SFHVURJKSA-N 405.495 4.263 0 1 HIAF CCOC(=O)Cc1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587172801 MXENVQPZUTXVMD-UHFFFAOYSA-N 423.419 4.264 0 1 HIAF C[C@@]1(CC(=O)N2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337756 BMUWSIUSCAOIES-UPVQGACJSA-N 411.473 4.442 0 1 HIAF O=C(O)c1cccc2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350960 ITXCWMSVJOFPRG-URXFXBBRSA-N 404.393 4.430 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587381728 KLRSSSRRZHERFW-FQEVSTJZSA-N 407.388 4.410 0 1 HIAF COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)[C@@H](C2)C3=O 587423012 SFVYFXWMWOOCDW-GAJHUEQPSA-N 423.852 4.261 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(CNC(=O)OC(C)(C)C)cc1F)[C@@H](C2)C3=O 587425935 IJLSUNLRFHRPGR-HRAATJIYSA-N 413.445 4.348 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCCCC[C@@H]1CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433593 SKUGJBLUKKKBDJ-LPXYKDPNSA-N 401.503 4.286 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccc(OC)c(OC)c4)s1)[C@@H](C2)C3=O 587453633 XVVKPCOVXPJYDK-LHSJRXKWSA-N 409.463 4.325 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(=O)c3ccn(CC)n3)c1)CC2=O 587474691 GRSZYLILWFBIST-QFIPXVFZSA-N 420.465 4.487 0 1 HIAF COC(=O)C[C@]1(c2cccc(OC)c2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587527028 UIKMWFUXWXTFDN-DEOSSOPVSA-N 410.466 4.006 0 1 HIAF Cc1ccc(Cl)c2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587552774 SKWQPLFJKOEQCN-VGOFRKELSA-N 407.809 4.163 0 1 HIAF C[C@H](C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O 587601979 GNCLJDLSWYXQOT-QQQUVDROSA-N 404.418 4.360 0 1 HIAF COc1ccc(OC)c2c1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602745 YOTNGQVADYBBOF-XUZZJYLKSA-N 404.418 4.213 0 1 HIAF C[C@]1(c2cccc(OC[C@H]3CO3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614552 CJJSPJYEDBTPRF-CODAWKSHSA-N 404.418 4.047 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1cccc(C2OCCO2)c1 587619565 YEPIJKIYKKBJSS-IRLDBZIGSA-N 418.445 4.401 0 1 HIAF Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-n2cncn2)c(F)c1 587622153 BMPKKGQEEZEMBS-UHFFFAOYSA-N 415.201 4.333 0 1 HIAF CCOc1ccccc1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661379 YKDTYNCYGODGBS-UHFFFAOYSA-N 418.424 4.321 0 1 HIAF CCCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587767815 JWCMMJLVRCJKRO-FKIZINRSSA-N 403.295 4.123 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587793586 RDXJWARSUIQVFU-NIVTXAMTSA-N 409.299 4.333 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCC(=O)O)N1 587794077 NUSSHECYQXACAY-WLRWDXFRSA-N 408.267 4.065 0 1 HIAF CCSCC[C@H]1c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962636257 VTBVTIXELNOFMN-ROUUACIJSA-N 407.532 4.320 0 1 HIAF Cc1cc2nc([C@@]3(C)N[C@H](C(=O)O)Cc4c(C(F)(F)F)cc(F)cc43)[nH]c2cc1C 962710553 LVBIEDSJYLWXSV-PXNSSMCTSA-N 421.394 4.200 0 1 HIAF Cc1ccc(F)cc1[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983811 ZURGKNYUPGHQGM-SUMWQHHRSA-N 423.740 4.471 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cncc(-c3ccco3)c2)C1 1772633300 PPPUNKKZCFJGTJ-OAHLLOKOSA-N 409.873 4.486 0 1 HIAF COc1ccccc1OCCNCC[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 1857558620 OWOQRXHVMOMTJK-HSZRJFAPSA-N 419.521 4.370 0 1 HIAF O=S(=O)(Nc1ccc(CCc2ccc(F)cc2)c2cccnc12)c1ccccn1 1857587035 VZTHKYFATJHBMK-UHFFFAOYSA-N 407.470 4.355 0 1 HIAF COc1cc(CCn2cnc3c(NCc4ccccc4Cl)ncnc32)cc(OC)c1 1857761105 FPVRAFTTXQOBCK-UHFFFAOYSA-N 423.904 4.352 0 1 HIAF CN(Cc1ccccc1)C(=O)[C@@]1(C)CCN1C(=O)Cc1ccc(Cl)cc1Cl 61930419 WWKUVMXLEFZNRE-OAQYLSRUSA-N 405.325 4.186 0 3 HIAF Cc1c(C(=O)c2nccs2)oc2cccc(OCCCNCc3cccnc3)c12 3588088 UEJDVRHNCIBADI-UHFFFAOYSA-N 407.495 4.382 0 1 HIAF COc1cccc(C(=O)NCCCCCN2CCN(c3ccc(Cl)cc3)CC2)c1 13492660 WHRQYYUJQYMCLD-UHFFFAOYSA-N 415.965 4.071 0 1 HIAF C=CCN(C)C(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCc3cccnc3)c(C)c2[C@@H]1O 25204709 HOPOLERVNDRNAI-NYQDVAGCSA-N 408.542 4.154 0 1 HIAF biogenic CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H](C2)[C@@H]1C(=O)SCCCc1ccccc1 27299249 OBUILUCOHWRGAN-CEXWTWQISA-N 401.572 4.264 0 1 HIAF COCC(=O)N1CCC(c2ccccc2)(c2nccn2[C@@H](C)c2ccccc2)CC1 28822927 TXWOTCVSUZXJMH-FQEVSTJZSA-N 403.526 4.047 0 1 HIAF O[C@H](CN[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)NC1)Cc1ccccc1 29056589 YKFRXVGLZNKBAS-GSDHBNRESA-N 400.566 4.132 0 1 HIAF COc1cc(C(=O)O)ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc21 29469036 CHEGZJBMMKHHBL-UHFFFAOYSA-N 409.442 4.283 0 1 HIAF C[C@@H]1S[C@@H](c2ccccc2F)N(c2ccc(Br)cc2C(=O)O)C1=O 38838571 SRWYLFBVQRFDFX-FVMDXXJSSA-N 410.264 4.454 0 1 HIAF C[C@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1 43150869 JHQUDJVAGDHNHY-VIFPVBQESA-N 418.274 4.290 0 1 HIAF CCc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccncc2)cc1 96174496 JHLMFTHTGBNHJY-UHFFFAOYSA-N 411.442 4.030 0 1 HIAF CN(C)Cc1ccc2nc(C(=O)c3ccnc(-c4cncc5ccccc45)c3)[nH]c2c1 113152453 VLICGMIYFAGXFE-UHFFFAOYSA-N 407.477 4.466 0 1 HIAF Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)nc2c1c(-c1ccccc1)nn2C 117514477 CWQYLWVLAFHETG-KRWDZBQOSA-N 400.482 4.200 0 1 HIAF O=C(Nc1cc2n[nH]c(C(F)F)c2cn1)N[C@H](COCC1CC1)c1ccccc1 219762424 INZMRIUEHBLOCH-MRXNPFEDSA-N 401.417 4.185 0 1 HIAF CS(=O)(=O)N[C@H]1CC[C@@H](Oc2cc3cnccc3cc2-c2ccsc2)CC1 299853545 MLSBBZCBVWFANZ-HDICACEKSA-N 402.541 4.203 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C3(c4ccccc4O)CC3)nc2c1 586897231 VYMACXWUKAOXFV-UHFFFAOYSA-N 401.260 4.288 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccnc(Cl)c2[nH]1 586938168 VLXKZMHFNVTPJS-CQSZACIVSA-N 424.979 4.001 0 1 HIAF CCOc1n[nH]c(-c2nc3cc(F)cc(Br)c3[nH]2)c1Br 586979555 FWSJGJCFHAZSMK-UHFFFAOYSA-N 404.037 4.016 0 1 HIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(F)cnc(Br)c2[nH]1 587108994 KOINXLIUKGHPKH-UHFFFAOYSA-N 404.117 4.244 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC3(CCN(C(=O)OC(C)(C)C)CC3)C1)O2 587401210 UBKUNNVRXJGSFU-QHCPKHFHSA-N 400.519 4.482 0 1 HIAF CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587410885 REEPFUACUFYUQR-QGZVFWFLSA-N 400.283 4.369 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(CCNC(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O 587429201 OYIZNUDEONGPIH-AVRDEDQJSA-N 409.482 4.251 0 1 HIAF C[C@]1(c2cccc(NC(=O)CCC(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587515018 ZWVWDGZQBMZTFY-XMMPIXPASA-N 407.466 4.249 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587558554 WZTFPXFXWAJINV-CKIDLJBISA-N 414.429 4.184 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 587584426 XVAOLTXFXTXJSB-WSUBETFTSA-N 401.462 4.245 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](C(=O)O)c1ccccc12 587606646 DZQFMABDYMRABQ-ZNSVGSLASA-N 402.402 4.211 0 1 HIAF COCCc1c(-c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648874 NJLPUJGCDBQUOU-UHFFFAOYSA-N 408.317 4.190 0 1 HIAF CCOc1ccc(-c2nn(-c3cccc(F)n3)c(=O)c3ccccc23)cc1OCC 587668798 DROYZUWCTPZDCR-UHFFFAOYSA-N 405.429 4.384 0 1 HIAF CCn1cc([C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587713482 DCKSPAVWODNHOA-XLFHBGCDSA-N 402.258 4.156 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cccc(F)c2)N1 587736335 ZKLXSXKLFJJHFG-NSPYISDASA-N 410.258 4.370 0 1 HIAF CC(=O)N1CCc2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587766009 LZHUHGFVJRKOEE-LAJNKCICSA-N 417.322 4.295 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2N2CCOC2=O)N1 587768671 VMCPNUZTMKIXBX-YUNKPMOVSA-N 419.294 4.343 0 1 HIAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587806985 LAOLZYGYKZRDBT-QGHHPUGFSA-N 410.283 4.238 0 1 HIAF COC(=O)c1cc(OC)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812286 ZFXBNXVDUVNNMY-YPMLDQLKSA-N 408.267 4.007 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587825708 DVTFMMUTAKBDHI-SDQUIPKPSA-N 408.311 4.229 0 1 HIAF CCCCN1C(=O)[C@H](C(C)=O)[C@@]2(c3ccccc31)c1c(F)cccc1C[C@@H]1CCCN12 963115465 VJNFNAGOQSTLMY-CZZAQMAHSA-N 420.528 4.442 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2cccc(OC)c2)C(=O)OC)cc1 1772600384 DKMKGYWRJYODPO-UZUQRXQVSA-N 413.514 4.083 0 1 HIAF C1=C[C@@H]2N=C(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)N[C@H]2N=C1 1857590184 DYUTWRFEEOPXMN-HTAPYJJXSA-N 417.538 4.073 0 1 HIAF CC(C)c1sc(-n2cccc2)nc1C(=O)N(C)C[C@H]1CCCN2CCCC[C@@H]12 2356761621 RUAWMKCZIHIMQT-MSOLQXFVSA-N 400.592 4.394 0 1 HIAF O=C(c1cc(COc2c(F)cccc2F)on1)N1CC[C@@H](c2ccccc2F)C1 12438763 QGFZLRJIWIUDIW-CYBMUJFWSA-N 402.372 4.301 0 3 HIAF COc1ccc(C(=O)Nc2ccc(OC)cc2NC(=O)c2ccc(OC)cc2)cc1 13557914 QOXFEJPUIMZWPT-UHFFFAOYSA-N 406.438 4.217 0 1 HIAF COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Cl)c2ccccc12 13761260 ARZYDJJAHRASCM-UHFFFAOYSA-N 423.944 4.054 0 1 HIAF COc1ccc([C@@H]2c3nc(C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)cc1 13859848 ACMPQUAKYNONQE-FDFHNCONSA-N 403.434 4.106 0 1 HIAF COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)NC(C)C)c2cc1OC 29134308 OZHHLHNBHBGTSP-UHFFFAOYSA-N 423.469 4.361 0 1 HIAF COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc3ccccc3c(=O)n2C)cc1 40392582 ZWLSGCSOGXPGCN-QHCPKHFHSA-N 410.477 4.298 0 1 HIAF COc1cc(C(=O)c2cc(-n3ccnc3)ccc2-c2ccco2)cc(OC)c1OC 64564922 ACYBKEHCGOPQNI-UHFFFAOYSA-N 404.422 4.389 0 1 HIAF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 82133980 UMEGYVGLUDBCQF-UHFFFAOYSA-N 416.525 4.031 0 1 HIAF CC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1 95596127 RTUNCRWULFXKRD-UHFFFAOYSA-N 422.510 4.330 0 1 HIAF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)no1 103250336 IGZIWEJRUCQXBT-UHFFFAOYSA-N 421.478 4.118 0 1 HIAF Cc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCC(F)(F)C5)ccc4c3n2)cn1 113201740 KESYYENSGFJNIR-UHFFFAOYSA-N 407.424 4.031 0 1 HIAF Nc1cccc(CNc2nc(Nc3ccccc3)nc(Nc3ccc(F)cc3)n2)n1 117543134 QEZPYZCXVKQSHL-UHFFFAOYSA-N 402.437 4.087 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1cc(F)ccc1C 203327096 VGMIDXZKESKFKD-FQEVSTJZSA-N 422.456 4.459 0 1 HIAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@@H]4CCCO4)n3)c(Cl)cn2)CC1 261112131 IFQXFKKTDOBYBO-JYJNAYRXSA-N 402.926 4.103 0 1 HIAF Cc1ccc(C)c2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc12 586951409 LZSKTBLMZOZHTP-UHFFFAOYSA-N 420.332 4.050 0 1 HIAF O=C(Nc1nc(Cc2nc3cnc4ccccc4c3[nH]2)cs1)c1cccc(O)c1 587019156 GPFALJQMCJKYTI-UHFFFAOYSA-N 401.451 4.116 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccnc(Br)c2[nH]1 587042470 KSPYNCIBYWOBGM-LLVKDONJSA-N 409.696 4.029 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ccnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587240756 VYRDTEHNQRZZKE-YZIJFISFSA-N 406.914 4.166 0 1 HIAF CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 587327639 HLKUZENRWMFMGM-NZQKXSOJSA-N 423.827 4.416 0 1 HIAF CO[C@H](C)c1ccc([C@@]2(CN)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587341129 XWADJMWBISKTIT-GKLUMCFYSA-N 421.468 4.452 0 1 HIAF CCOC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C 587343328 JSHBWCHCSADEOS-WMZHIEFXSA-N 413.445 4.270 0 1 HIAF CCOc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587351870 VMDYOFJEXARQME-ZJSXRUAMSA-N 419.408 4.137 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)nc1Br)O2 587382224 KOTABRIHLNZKON-LBPRGKRZSA-N 401.182 4.460 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(Br)[nH]1)[C@@H](C2)C3=O 587419225 XKPLWUUQPMXCEU-RTHLEPHNSA-N 413.065 4.037 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC4(CC3)OCCO4)cc1)CC2=O 587474204 FPRZTQXBHXALTG-HSZRJFAPSA-N 423.509 4.395 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550871 CJVKKZNPJYPEOT-JTSKRJEESA-N 407.809 4.163 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)c(F)c1 587553139 FRYNXVKGFHKDQQ-ZJSXRUAMSA-N 421.424 4.071 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCN(C(=O)c1ccccc1)C2 587584355 XCJDUIJMLLEERA-BWKNWUBXSA-N 415.445 4.029 0 1 HIAF C[C@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616175 IZLFPVWBJDCKLB-QATBIIFWSA-N 404.418 4.047 0 1 HIAF CC(C)Cn1cc([C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587719321 QEBJYEHGQWLJMR-ADLMAVQZSA-N 416.285 4.484 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587795952 YYDXKENUZMSGIL-LZVRBXCZSA-N 409.299 4.333 0 1 HIAF Cc1cnc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2cc(Cl)c(O)cc2O)n1C 653667976 WVWGMHSCWFAKFO-LBPRGKRZSA-N 411.889 4.442 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(COc3ccc(F)cc3F)o1)NCC2 962927853 FCNXJNWRFJNXGM-QFIPXVFZSA-N 412.436 4.074 0 1 HIAF N[C@@H]1C[C@@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccc(F)cc21 962960005 RKBXKCABFFXHCC-WIYYLYMNSA-N 406.423 4.143 0 1 HIAF Cc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc2c1=O 1772657832 LARSPUWYVOGJFP-UHFFFAOYSA-N 423.944 4.453 0 1 HIAF Cc1ccc2nc(C[C@@H]3CN(C4CCC(F)(F)CC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356305899 RRSUJMSTTQZQKA-JKSUJKDBSA-N 405.489 4.405 0 1 HIAF CC1(C)C=Cc2c(ccc(-c3coc4cc5c(cc4c3=O)C[C@H](C(C)(C)O)O5)c2O)O1 2356424098 JOBXDQQOBZCDBR-OAQYLSRUSA-N 420.461 4.424 0 1 HIAF CC1=C[C@H](CNC(=O)NC(C)C)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 2356738334 KFNYJNDIVRBAQE-TUNNFDKTSA-N 417.569 4.394 0 1 HIAF CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@H](C)C[C@@H](C)CC[C@H](C)OC1=O 2356862854 UOAPDHMSZKCUEI-NTHNXFDUSA-N 424.626 4.072 0 1 HIAF CCCCC(=O)N1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 18098369 LXWIOYNCLXWINJ-HSZRJFAPSA-N 424.516 4.493 0 3 HIAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccc(F)cc1 4049951 TZDIXBZYXUYXRW-VWNXMTODSA-N 418.468 4.285 0 1 HIAF Cc1cc(C)c(/C=C\[P@@](=O)(O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 13885268 PZRJNNIVYSSRMG-TUYSUELWSA-N 406.390 4.495 0 1 HIAF CCCCC(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl 26646619 DJTNAGBLFJZDBR-UHFFFAOYSA-N 421.324 4.494 0 1 HIAF CCC(=O)OCC1(N(C(C)=O)c2ccccc2)CCN(CCc2ccccc2)CC1 28104545 YDOCAQDGHMDARF-UHFFFAOYSA-N 408.542 4.070 0 1 HIAF COc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(F)c(Cl)c3)n2C)cc1 29125305 KBWVUPKHLFRKMY-NMWGTECJSA-N 405.882 4.301 0 1 HIAF CC(C(=O)Nc1ccc2c(c1)[C@@H](N1CCOCC1)CCC2)(C(F)(F)F)C(F)(F)F 45254107 ILACWWPQONYUHT-HNNXBMFYSA-N 424.385 4.466 0 1 HIAF CCCN(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1ccc2ccccc2c1 58581504 XJHVIMRPUTXKEU-UHFFFAOYSA-N 423.582 4.197 0 1 HIAF CC(C)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@@H]1CCCN1C 82187541 SMQBJIMDWGHBAJ-IBGZPJMESA-N 410.541 4.228 0 1 HIAF Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CCO 95563737 VVUUJKSPNFODDT-UHFFFAOYSA-N 409.489 4.367 0 1 HIAF CCOC(=O)c1s/c(=N\c2ccc(Br)cc2)n(-c2ccccc2)c1N 103199686 GSZIWPBAFBZLFD-UZYVYHOESA-N 418.316 4.293 0 1 HIAF O[C@@H]1CN(Cc2cccs2)[C@@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(C2CC2)nn1 169366163 POGGJSCXAAFIMY-QHAWAJNXSA-N 414.962 4.420 0 1 HIAF Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC[C@@H]3CC3(F)F)c12 169686610 IPKJCZLNEQJZPI-VIFPVBQESA-N 408.405 4.015 0 1 HIAF Cc1cc(C)c(-c2noc([C@H]3CC3(F)F)n2)cc1NC(=O)c1cnc2ccccn12 206112015 GZVKBICARWJUII-CQSZACIVSA-N 409.396 4.376 0 1 HIAF CN(Cc1ccccc1)c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 206159521 PAKGCKHUOFTJEM-UHFFFAOYSA-N 410.524 4.129 0 1 HIAF NC1=N[C@@](c2cc(-c3nc4ccc(Cl)cc4o3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 226089619 OYSKNFZAYPELTO-GEDNVKPRSA-N 407.779 4.481 0 1 HIAF COCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 299873950 AOUCHGVBSUVBDR-LMQGHGSNSA-N 422.573 4.311 0 1 HIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)c1C 586947578 UGGABFYYVYDSKF-UHFFFAOYSA-N 413.890 4.043 0 1 HIAF CCOC(=O)/C(=C/N(C)C)c1nc2ccc(O)c3c2c(c1CC)-c1ccccc1C3=O 586988562 MCBXUIAECSVZSV-GHRIWEEISA-N 416.477 4.180 0 1 HIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(N)=O)cc2[nH]1)c1cccc(Cl)c1 587071528 NWUATRMZDPFFKM-MRXNPFEDSA-N 414.893 4.124 0 1 HIAF N[C@H](N=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081365 PCNQNAQLPQBMHL-GOSISDBHSA-N 403.833 4.317 0 1 HIAF FC1(F)Oc2cc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3cc2O1 587119811 GENBFQPEJUFOQP-UHFFFAOYSA-N 400.307 4.027 0 1 HIAF COc1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 587157421 LJEKYLQNUGQEJG-UHFFFAOYSA-N 417.238 4.308 0 1 HIAF C[C@]1(CN2Cc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342207 ZSNNCOJRSXGAES-WIOPSUGQSA-N 417.436 4.305 0 1 HIAF CCCc1c(O)ccc2c1OC1(CCC(N3C(=O)c4ccccc4C3=O)CC1)CC2=O 587475868 NFELWDFBDQYKIG-UHFFFAOYSA-N 419.477 4.288 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(C)cc1)CC2=O 587485322 VIIJJNLDBSDLBN-DEOSSOPVSA-N 410.466 4.036 0 1 HIAF COc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587521802 CRJFFQFTWMNCAZ-DEOSSOPVSA-N 410.466 4.308 0 1 HIAF CCOC(=O)C[C@@]1(c2cc(OC)cc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587527226 VSXWWLMVJFBKBL-RUZDIDTESA-N 424.493 4.397 0 1 HIAF COc1ccc(/C(=C\N(C)C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587571026 KPLQYFPMPBQQTI-FQSOMRFFSA-N 417.461 4.334 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587588364 KAZLCQZCBGFMSO-DVECYGJZSA-N 421.449 4.391 0 1 HIAF CSc1ncc2c(n1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612093 IVGJGUZUXVSHSU-GCJKJVERSA-N 406.463 4.098 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)c(F)c(O)c(F)c2F)N1 587723899 ZCOYTGGQOSHEOQ-BMSCFWOVSA-N 408.164 4.474 0 1 HIAF COC(=O)[C@H](C)[C@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811914 XXJVKDIVPGWMKU-RXSFTSLZSA-N 420.322 4.370 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587844296 LGHKGMZNCUADDQ-DYBLOJMWSA-N 407.308 4.040 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)NC12CC3CC(CC(C3)C1)C2 587868993 ZLJLEOSUCPFJIB-UHFFFAOYSA-N 420.435 4.499 0 1 HIAF CCOc1ccccc1[C@@]1(CCCCC(=O)O)NC[C@H]2CC(=O)N(C)c3cccc1c32 963019677 IEMDQFMMMIAREB-CRICUBBOSA-N 422.525 4.027 0 1 HIAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCc1cc(Cl)ccc12 963135089 CZJSWKALIAWIOB-YWZLYKJASA-N 420.918 4.233 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2F)C(=O)OC)cc1 1772598355 QNKCEDCTEODDMZ-KSFYIVLOSA-N 401.478 4.214 0 1 HIAF CC(=CCc1c(O)cc(C)c(C(=O)O)c1O)CCC[C@](C)(O)CCCC(C)(C)O 2356324389 QXGWCTXZXLYARW-QHCPKHFHSA-N 408.535 4.456 0 1 HIAF COC(=O)C1=CC=C(C(C)C)CCC2=CCC[C@@](C)(OC2=O)[C@@H](OC(C)=O)CC1 2356378329 GCDVQIVAHBRSQZ-NZQKXSOJSA-N 404.503 4.196 0 1 HIAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1=O 200051270 VLSICDLKKIFHKW-LJQANCHMSA-N 404.432 4.325 0 3 HIAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 4049685 WDBSOFKIYJKKEL-JTOYRKQZSA-N 406.526 4.322 0 1 HIAF CC(=O)Nc1cccc(Oc2nc(Oc3cccc(C(=N)N)c3)c(F)c(C)c2F)c1 13474018 ZHAKMTSGSIBYCD-UHFFFAOYSA-N 412.396 4.495 0 1 HIAF Nc1ccc(-c2cc(=O)c3c(N)c(Br)cc(Br)c3o2)cc1 13652198 VHCHJJCYBBXOQI-UHFFFAOYSA-N 410.065 4.149 0 1 HIAF COc1cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC 17777736 YCCPYTPBHUIHGW-IYBDPMFKSA-N 404.459 4.331 0 1 HIAF in-vitro O=C(Nc1cccc(F)c1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25232565 HHRKMKZCOOTIBF-CABCVRRESA-N 409.486 4.367 0 1 HIAF biogenic CC(C)O[C@@H](Cc1ccc(OCc2noc(-c3cc(F)cc(F)c3)n2)cc1)C(=O)O 26475587 HLFFVADRJBLYLA-SFHVURJKSA-N 418.396 4.015 0 1 HIAF O=C(c1ccc2c(-c3ccc(O[C@H](CCO)C(=O)O)cc3)nocc1-2)C1CCCC1 28569170 LZNCQRLBXHMKTK-HXUWFJFHSA-N 409.438 4.034 0 1 HIAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CO)ccc21 28952231 SURHTYPLLPCDCR-UHFFFAOYSA-N 406.530 4.320 0 1 HIAF CCCCCCOc1cc(NC(=O)c2ccccc2)ccc1N(C)S(C)(=O)=O 45286147 DPISXYSBPOHVTR-UHFFFAOYSA-N 404.532 4.294 0 1 HIAF Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)CS(C)(=O)=O)cc4)c3)[nH]c12 45338639 RZBXGIBLGNSDDV-UHFFFAOYSA-N 419.506 4.188 0 1 HIAF O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)n[nH]1)c1ccccc1 72179430 WZFLZUYBXNOPEA-UHFFFAOYSA-N 418.478 4.130 0 1 HIAF CC(C)(C)NC(=O)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72185675 GAIWJZJORROHHH-FQEVSTJZSA-N 400.954 4.387 0 1 HIAF CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(OC(F)(F)F)ccc2c1=O 95555896 ZVXDHEJRUXLRQW-UHFFFAOYSA-N 407.344 4.279 0 1 HIAF COc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)NC3CCCCC3)cc2)c1 100096739 UNVRPWHGXVVHPD-BKFWDETESA-N 405.542 4.144 0 1 HIAF CC(C)(C)C(=O)N1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167950641 CDGRQOUEKZQAFV-UHFFFAOYSA-N 422.529 4.045 0 1 HIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)Nc3cccc(O)c3)CC[C@H]12 253636646 NOUYCYGNOBPMES-SMIYNLNTSA-N 408.542 4.244 0 1 HIAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(N)c(N)cc4[nH]3)c(=O)oc2c1C 586917508 HAPANAZXBPLXMM-UHFFFAOYSA-N 418.497 4.386 0 1 HIAF CCCOc1cc2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc2cc1Br 586951331 WTEUFMFKXZIYHD-UHFFFAOYSA-N 424.320 4.153 0 1 HIAF CCOC(=O)c1ccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2c1 586965748 PRUMPOPTIQLIPJ-UHFFFAOYSA-N 407.499 4.136 0 1 HIAF COC(=O)c1ccnc2nc(-c3cccn3-c3ccc(Br)cc3C)[nH]c12 586981672 SODDSBJMBKBBQH-UHFFFAOYSA-N 411.259 4.273 0 1 HIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Br)c(O)c2[nH]1 587065573 UOAZLHLREOYGRO-UHFFFAOYSA-N 411.639 4.085 0 1 HIAF COc1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143386 FLEZNZKAMBTELU-FQEVSTJZSA-N 420.400 4.467 0 1 HIAF CCOC(=O)Cc1ccc2nc(-c3cc(I)ccc3F)[nH]c2c1 587183365 XVYNHLGLXOAFNK-UHFFFAOYSA-N 424.213 4.079 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCn3c(O)nc4cccc2c43)[C@@H]1c1ccc(F)cc1 587351219 ZHOWDLUKVIXZEJ-YKSBVNFPSA-N 416.408 4.245 0 1 HIAF O=C1C[C@@](C(=O)O)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587503327 NSJGSDKMYUJASB-FQEVSTJZSA-N 401.256 4.273 0 1 HIAF O=C(NCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCc1ccccc1 587573105 RPOFUPCZSJWLHN-FPOVZHCZSA-N 419.433 4.039 0 1 HIAF CC(C)(C)c1cccc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595826 OUSUAOUUWBCEQR-CLOONOSVSA-N 415.445 4.499 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(Cc3ccccc3)n2)N1 587763580 KGTKOHOUGHNHPK-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnccn2)(c2ccccc2)N1 587774140 LQPRBVJCKPLHAR-LHSJRXKWSA-N 412.306 4.399 0 1 HIAF CSc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)n1 587842738 FXBOFBLNAGYCMO-CPFSXVBKSA-N 402.720 4.377 0 1 HIAF CCOC(=O)CC[C@]1(c2ccsc2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962634400 UCPQHPHEODQKLN-NYHFZMIOSA-N 403.544 4.229 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@](Cc1cccc(F)c1)(c1cccc(F)c1)NCC2 962930552 YPIZBLVJPOBGML-RUZDIDTESA-N 406.476 4.299 0 1 HIAF CCOC(=O)c1cc2c(nc1C(F)(F)F)nn1c(-c3ccccc3)cc(C)nc21 1772642716 NZWFHPQUXNBVJD-UHFFFAOYSA-N 400.360 4.448 0 1 HIAF Cc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1 1857576727 BUPQCAQGFKXUCT-UHFFFAOYSA-N 405.391 4.187 0 1 HIAF Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](C)c2ccccc2OCc2ccccc2)cc1 1857748299 GVCFACHCAXATAD-SFHVURJKSA-N 424.522 4.323 0 1 HIAF CCCCOc1c(C(=O)c2c(F)cc(Br)cc2F)cnc2n[nH]cc12 3814465 ZWVNPBSQSAHHNR-UHFFFAOYSA-N 410.218 4.409 0 1 HIAF CC[C@@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCc1ccc(F)cc1 25434168 QGTOFJLHFCFPDO-SJORKVTESA-N 417.912 4.069 0 1 HIAF biogenic C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C(C)(C)C)C1 27986818 VOBAOLPIGHOVNW-YUDIKBHMSA-N 404.547 4.196 0 1 HIAF COc1ccc2c(c1O)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@H]3CCCCN3[C@@H]2C1 33830747 USNBCAPIYYPNGO-FUHIMQAGSA-N 423.509 4.321 0 1 HIAF biogenic,in-vitro CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@]4(C)[C@@H]3CC[C@]12C 34801247 JPOAJVXSZNVFCE-BQFFOTGGSA-N 406.586 4.282 0 1 HIAF N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2ccccc2)c[nH]1 36216176 BRPLIQAYHUTTTE-ZCYQVOJMSA-N 422.532 4.273 0 1 HIAF COc1cc(-c2ccc(NC(=O)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 72176507 WHNCUGUWTNNWNG-UHFFFAOYSA-N 403.417 4.038 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc3cc(Cl)ccc3[nH]2)n1 142125959 ZQJLDJHAAJGLLU-IAQYHMDHSA-N 400.870 4.161 0 1 HIAF CN(Cc1ccccc1)Cc1ccc(C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1 169341960 OUYDBKLRMLMLMJ-UHFFFAOYSA-N 413.521 4.478 0 1 HIAF O=C1c2ccccc2-c2cc(CC(=O)C(F)(F)C(F)(F)F)nc3ccc(O)c1c23 586985828 GOLWTAULBQMQSX-UHFFFAOYSA-N 407.294 4.461 0 1 HIAF Ic1cnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 587021934 RCQXMRBLRAVJLF-UHFFFAOYSA-N 418.263 4.277 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)nc1Br)O2 587374365 XJGNCCQJSBYBTF-LBPRGKRZSA-N 412.081 4.204 0 1 HIAF CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587379936 YMYKJZBLLWAZOM-VGOFRKELSA-N 401.890 4.377 0 1 HIAF Nc1ccc2c(c1N)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587511081 MYLWCYDLMMDKAD-AREMUKBSSA-N 410.473 4.183 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726011 HIEPVAPSANIEEG-WYRIXSBYSA-N 410.258 4.068 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(Cl)ccc(F)c12 587734884 SFJMLHIGYYFIDW-SKLCBMLGSA-N 413.649 4.111 0 1 HIAF COc1ccc(-n2ccnc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587754447 MCHGQWFIHMNSLQ-CWTRNNRKSA-N 416.294 4.406 0 1 HIAF C[C@H]1CN(Cc2ccccc2)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587763168 XHMNOIKUENSVBI-PDSXEYIOSA-N 403.339 4.470 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccccc3)CC2)N1 587766151 FSLCBPPXOJVZAE-AWEZNQCLSA-N 417.322 4.254 0 1 HIAF COC(=O)C[C@H](C)Cc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587785059 KNNKDFJISGRBLK-CYBMUJFWSA-N 406.442 4.030 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)O)nn3ccccc23)N1 587798358 VDHYHXDBMYRXCS-ZMZPIMSZSA-N 418.310 4.087 0 1 HIAF COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC 587807794 NNZMHZPLTMRPLB-BIBXISHDSA-N 424.310 4.412 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C(C2CCOCC2)(C2CCOCC2)N1 587833311 FUHHMDLERLYITI-CYBMUJFWSA-N 412.343 4.171 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(OC(F)F)cc1 587868673 RCROUMPMWTUMKU-UHFFFAOYSA-N 413.302 4.262 0 1 HIAF O=S(=O)(c1cc(Cl)c(F)c(Cl)c1)N1[C@H](CO)CC[C@@H]1c1ccc(F)cc1 653767663 YBPKDCWIZDLZLH-BLLLJJGKSA-N 422.280 4.158 0 1 HIAF O=C(O)/C(O)=C/[C@H](O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 653838490 BIGAFYMXEIPXHP-URBQWANRSA-N 415.917 4.052 0 1 HIAF Cn1cc([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)n(C)c1=S 961786051 PAYUIPVRMUOXFH-IBGZPJMESA-N 414.575 4.334 0 1 HIAF COC(=O)[C@]1(c2cn(C)c3ccccc23)c2ccsc2CCN1Cc1ccco1 962717635 VDNHECKNUTVCBQ-HSZRJFAPSA-N 406.507 4.308 0 1 HIAF COc1cccc(N2CCN(CC(=O)N3c4ccccc4Oc4ccccc43)CC2)c1 1772588009 KDNPVNILCOUZRS-UHFFFAOYSA-N 415.493 4.288 0 1 HIAF Cc1ccc(S(=O)(=O)c2[nH]c3cc(C)ccc3c2I)cc1 1857534165 UNTJDZGUFCRDEY-UHFFFAOYSA-N 411.264 4.222 0 1 HIAF CCCCOCC=Cc1cc(OC)c2c(c1)[C@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 2356743395 YQSAYBNHZLLVQX-CVDCTZTESA-N 414.498 4.449 0 1 HIAF C[C@@H]1CCCCN1CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 5034045 ACCIYHXMPCYLTP-CQSZACIVSA-N 400.523 4.045 0 3 HIAF aggregator Cc1ccccc1-c1cccc2[nH]c3c(c12)CCN1C(=O)[C@H]2[C@H](C)ON(C)[C@H]2C[C@@H]31 199739367 NAZZRUABTACWRT-JNHSIYEJSA-N 401.510 4.223 0 3 HIAF CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCC(C)(C)CO 775229 MXGMYUNDEMDPOJ-UHFFFAOYSA-N 412.461 4.295 0 1 HIAF O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccncc2)[C@H]1C(=O)c1cc2ccccc2o1 2840780 RNYAJCUSBIPWGN-XZOQPEGZSA-N 424.456 4.022 0 1 HIAF Cc1nn(C(=O)Cc2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)SC(=N)N2 17221742 LSAHWHZGKYTPTJ-HXUWFJFHSA-N 405.527 4.323 0 1 HIAF O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC[C@H](/C=C/c2ccccc2)C1 29322851 CVVKNPNYPRRQBA-IBUXMESJSA-N 424.566 4.037 0 1 HIAF C[C@@H](CNc1ncnc2c1nc(C1CC1)n2CC[C@@H]1CCCN1C)c1ccccc1 82197247 KGKSPQVSBSVBFU-PXNSSMCTSA-N 404.562 4.404 0 1 HIAF COc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccc4c(c3)OCO4)cc2)c1 100105866 TVSQPBSMFMMQFL-MWZSMPGESA-N 414.505 4.031 0 1 HIAF CCO/C(O)=C1/C(C)=Nc2ccccc2N=C1NS(=O)(=O)c1cccc(Cl)c1 102506762 GYGGRXOMLFSESQ-ZPHPHTNESA-N 419.890 4.261 0 1 HIAF FC(F)(F)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1 139817376 SUNHRNHFJARYBK-UHFFFAOYSA-N 413.447 4.407 0 1 HIAF CS(=O)(=O)N1CCC[C@H]1c1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 216019083 UPOHXDUXLHLJCM-IBGZPJMESA-N 418.902 4.283 0 1 HIAF Cc1cnc(C(=O)N2CCC[C@@H](Nc3nc4ccccc4o3)[C@@H]2C)c(-c2ncco2)c1 225882846 QMKKSBGLFZKTLZ-DOTOQJQBSA-N 417.469 4.291 0 1 HIAF COc1ccccc1C(=O)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 299820245 FTAHCTQETJGEKJ-DEOSSOPVSA-N 418.880 4.162 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 299879895 LKIKRFUYRAOTBB-SJIKZXFPSA-N 406.935 4.017 0 1 HIAF Cc1cc(Br)ccc1OCc1nc2ccc(CN3CCOCC3)cc2[nH]1 586981837 UZPOZIOZLLEMKN-UHFFFAOYSA-N 416.319 4.045 0 1 HIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(OCCN(C)C)cc2[nH]1 587044726 QHNZTLWYDIKCCB-UHFFFAOYSA-N 410.301 4.494 0 1 HIAF C[C@@]1(c2ccc(CC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347379 AKDNUJOHHMYMMU-VWNXMTODSA-N 406.409 4.433 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(OC)ccc(Br)c14)[C@@H](C2)C3=O 587418733 VBDQCQFNFISQTG-PRWKNARSSA-N 414.255 4.436 0 1 HIAF O=C(O)/C=C\C1=COc2ccc(F)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587510941 ZGBPGZYODYEQFX-AGKZXYDUSA-N 406.409 4.482 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccnc1F 587571647 RLZLNJVTRSSMQZ-MAUKXSAKSA-N 416.202 4.392 0 1 HIAF CC(=O)OCc1csc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587613206 MWRDQECDWHTNEX-SIKLNZKXSA-N 410.447 4.394 0 1 HIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2sc(=O)oc12 587618586 OTZXZDIMNIBFQW-FXAWDEMLSA-N 422.414 4.272 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOC3=O)cc2)N1 587769115 WYCZNNQSJJEWMK-YUNKPMOVSA-N 419.294 4.343 0 1 HIAF CCN(C(C)=O)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587856112 YAFVWEMSOVSAPA-ABKXIKBNSA-N 412.328 4.041 0 1 HIAF NC(=O)c1c[nH]c2ccc(-c3ccc(N)nc3)cc2c1=Nc1cccc(C(F)(F)F)c1 653757089 LHVYWOKFKJOYJF-UHFFFAOYSA-N 423.398 4.162 0 1 HIAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccnc2)c2cccc(F)c2)CC1 1772638334 KFIPADWYPUOKNP-QAQDUYKDSA-N 416.449 4.403 0 1 HIAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)c5c[nH]c6ccccc56)cc4)c12)CCC3 1857608889 XXQSYIOWTDOCQL-UHFFFAOYSA-N 408.465 4.055 0 1 HIAF CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3C)cc1 1857644867 DFXMUCXTPMAPCK-UHFFFAOYSA-N 406.507 4.055 0 1 HIAF CN(C)C(=O)CNCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12 1857654566 QTLFMPMIIXPLCB-UHFFFAOYSA-N 418.928 4.500 0 1 HIAF COc1cc(OC(C)=O)c(I)c2c1CC[C@H](c1ccccc1)O2 2356283769 ATSPGPYEGAPMOB-CQSZACIVSA-N 424.234 4.291 0 1 HIAF COc1ccc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)CC[C@@H]1COC(=O)N21 2356290000 FZONSIDDWBOKTF-QGZVFWFLSA-N 406.404 4.445 0 1 HIAF CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3C(=O)C[C@H](C)[C@@H]3[C@@H]2[C@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@@H]12 2356802516 SIIJXSSKYAUOMC-DQKRQIOYSA-N 404.547 4.173 0 1 HIAF CC(C)(C)NC(=O)c1ccccc1/C=C/[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C 5885603 ZMJMEUBMSJAGCT-APHAIJBRSA-N 422.569 4.360 0 1 HIAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NCc2ccccc2)C1 13677501 LAZPRLXGVMZIOA-CTNGQTDRSA-N 402.991 4.425 0 1 HIAF CS(=O)(=O)Nc1cc2c(cc1Sc1ccc(Br)cc1)C(=O)CC2 13744775 HPQSHFUISLATPN-UHFFFAOYSA-N 412.330 4.101 0 1 HIAF CCCCO[C@@H]1OC[C@H](Cc2ccc(O)c(OC)c2)[C@@H]1Cc1ccc(O)c(OC)c1 14642288 OMCHYMLRSCWZQB-AXHZCLLHSA-N 416.514 4.306 0 1 HIAF biogenic CCOC(=O)[C@]1(c2ccccc2)C[C@H]1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 29547816 WBKUGLSQIBUQEW-SMSJWMMHSA-N 419.565 4.437 0 1 HIAF O=c1ccc(CNc2nc(NCCc3ccccc3)nc3cc(Cl)ccc23)c[nH]1 45302604 YUJOFWBRTGFXAY-UHFFFAOYSA-N 405.889 4.238 0 1 HIAF O=C(Cc1ccc(F)cc1)NC[C@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 45317049 VAZXBYKWDYNSMG-KRWDZBQOSA-N 416.758 4.158 0 1 HIAF COc1ccc(-c2ocnc2C(=O)NCc2ccnc(C(F)(F)F)c2)cc1Cl 73294451 ACCHERNYKNJQCA-UHFFFAOYSA-N 411.767 4.347 0 1 HIAF Oc1cccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2C[C@@H]2CCCO2)c1 82185466 CIWPYPVTGKLZOA-IBGZPJMESA-N 419.460 4.129 0 1 HIAF C/C=C/C=C/C(=O)OC[C@@H](OC(=O)/C=C/C=C/C)c1cc(OC)c(OC)c(OC)c1 95561361 OSHNITVOHGPILC-HSILTQHOSA-N 416.470 4.105 0 1 HIAF COC(=O)[C@H](Cc1ccccc1)N1C(=O)O[C@@H](Cc2ccccc2)[C@H]1/C=C/C1CC1 95798314 QBWKXBVSWDZUEM-NROWVBDBSA-N 405.494 4.169 0 1 HIAF CC(=O)N1C[C@H]2C[C@H]1CN2Cc1cc2ccc(Oc3nc4cnccc4s3)cc2o1 101656263 IMLKPKQTIDHVCY-CVEARBPZSA-N 420.494 4.035 0 1 HIAF Cc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)cc(F)c2)cc1 103226538 ZNSZNBBRVKGKST-DEOSSOPVSA-N 404.416 4.086 0 1 HIAF CSc1nn(-c2ccccc2)c2cc(N3CCN(c4ccncc4)CC3)ccc12 165023979 HNEQNXAXHKVGAF-UHFFFAOYSA-N 401.539 4.469 0 1 HIAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@H]21 169373635 KCGXXRBMPRXFSA-WBOJAVRRSA-N 406.448 4.348 0 1 HIAF O=C(NCCCCCCCn1nnc(-c2cccc(Cl)c2)n1)Oc1cccnc1 207752334 MCSAWHPCIJPPEL-UHFFFAOYSA-N 414.897 4.128 0 1 HIAF Nc1noc2cccc(-c3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3)c12 299868664 SBUVUSNKJGHYHT-UHFFFAOYSA-N 404.401 4.183 0 1 HIAF CCOc1cc(/C=C/c2nc3ccc(OC)nc3[nH]2)cc(Br)c1OC 586977350 FORRCGDQDUVECK-FNORWQNLSA-N 404.264 4.307 0 1 HIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587047957 DEMQVZFWBVABEQ-UHFFFAOYSA-N 412.921 4.310 0 1 HIAF CCn1cc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587334763 YOQFBLKRZHUCOL-NQIIRXRSSA-N 402.372 4.267 0 1 HIAF C[C@@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547288 QECARJRZZUOOHR-PXNSSMCTSA-N 412.239 4.427 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)nc1F 587573257 YPMPEUOOPPNDMY-KNQAVFIVSA-N 406.413 4.229 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591786 XBHONYVADKISBE-JPYJTQIMSA-N 407.422 4.166 0 1 HIAF CC[C@@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757493 VJDDTWHQKNIOFG-VOJFVSQTSA-N 401.320 4.252 0 1 HIAF CCOC(=O)[C@@H]1Cc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587799214 RCYLKMSJVMPZSH-SAZGQGMLSA-N 418.306 4.101 0 1 HIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O 587808079 OPBUNYKYTRCLNS-PRWKNARSSA-N 422.294 4.320 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(C)o2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832155 YUGORUKWOIJFFB-WLRWDXFRSA-N 410.283 4.221 0 1 HIAF CCOC(=O)C[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587849389 UBJHCAFMGFWWMO-BBATYDOGSA-N 412.324 4.381 0 1 HIAF CC(=O)N(c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1)C1CC1 587851893 DCGNHDKELNFQGQ-XLFHBGCDSA-N 424.339 4.184 0 1 HIAF C[C@]1(c2cccc3oc(N)nc23)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640860 MJFNPIUVHBQHKK-FQRUVTKNSA-N 410.521 4.420 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C(=O)O)[nH]c3cc(OC)cc(OC)c23)N1 962949272 FCJZAGFKLJZPQK-VERVWZFWSA-N 419.481 4.378 0 1 HIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(F)c(OC3CCC3)c2)N1 962956014 AWWCZPYMNKRXNJ-KXBFYZLASA-N 411.807 4.377 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]3(Cc1nc2ccccc2[nH]1)C(F)(F)F 963039344 VAGRCUQMBWHEGR-NRFANRHFSA-N 412.415 4.266 0 1 HIAF O=C(O)CCCCCC[C@@]1(c2c(F)cccc2F)NCCc2c(C(=O)O)cccc21 963119213 CYKXQSZRQRCHHQ-HSZRJFAPSA-N 417.452 4.478 0 1 HIAF CCCOc1ccc([C@]2(c3ncco3)N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963636755 SDANFKWYQOCAGI-GYCJOSAFSA-N 408.498 4.307 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCNc2c(F)cc(Br)cc21 963638493 UDRRHUVEPDWQQH-BIBXISHDSA-N 421.310 4.199 0 1 HIAF CSc1ccccc1[C@]1(c2cccc(CN3CCC3)c2)c2nn(C)cc2CCN1C 963956831 ZOSASPDMYLWWPX-RUZDIDTESA-N 418.610 4.128 0 1 HIAF O=C(O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2cc(Cl)ccc21 1911577387 IELCICNATLZYTD-UHFFFAOYSA-N 424.888 4.054 0 1 HIAF C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)[C@H](O)C[C@@H]5[C@@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 2356331391 IQLFOYKUCJTPMF-MNCQTFKHSA-N 418.618 4.375 0 1 HIAF COc1ccc2nc(C[C@@H]3CN(CCCc4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 2356500442 VUJWTLHRBCAGQG-VQTJNVASSA-N 421.541 4.160 0 1 HIAF COC(=O)N[C@@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1ccc2ccccc2c1 7992447 UANAVJPLSPIPLW-IYTCMIDZSA-N 418.493 4.474 0 1 HIAF CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2cccc(C(F)(F)F)c2)c1)C(=O)O 12358327 NGHPKMCZJBQCQX-HNNXBMFYSA-N 409.404 4.297 0 1 HIAF NC(=O)N(O)Cc1ccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 13604009 INBCBIUBTBBHRM-UHFFFAOYSA-N 407.348 4.209 0 1 HIAF Cn1c(SC[C@H]2C[C@@](C)(O)CC(=O)O2)nc(-c2ccccc2)c1-c1ccccc1 27438246 OVAVVUWNFATFSO-WZONZLPQSA-N 408.523 4.303 0 1 HIAF CCCCCc1ccccc1/C=C/C(=O)Nc1cccc2c1O[C@@H](c1nnn[nH]1)CO2 27999014 DWULGIQYOMUEAN-FBRRREGBSA-N 419.485 4.097 0 1 HIAF CCCN(CCNC(=O)c1cc(Cl)c(N)cc1OC)Cc1ccc(Cl)cc1 28235649 BZDXTAXOWJNKMH-UHFFFAOYSA-N 410.345 4.226 0 1 HIAF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1O 36189318 BGGSGEZOWWTTGS-VNZDNBOKSA-N 408.542 4.244 0 1 HIAF CCCCCCC(=O)OC[C@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 40896798 LZCQMZKJLLEDAV-TUOAVLBBSA-N 414.420 4.280 0 1 HIAF Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2c(C)n1 43009130 OPCWNMLUZVXULW-UHFFFAOYSA-N 404.345 4.284 0 1 HIAF O=C1Nc2ccc(Cl)cc2[C@@](CNC(=O)c2cccc(F)c2)(C(F)(F)F)O1 45284836 KIEMSKALVBHZRU-INIZCTEOSA-N 402.731 4.229 0 1 HIAF O=c1cc(NCCCNCc2cc(Br)ccc2F)[nH]c2ccccc12 45335384 GSGDNMPVHUHSDD-UHFFFAOYSA-N 404.283 4.022 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCC 82213548 KOLIQFZTUMHGMH-NTZBCVIUSA-N 414.590 4.353 0 1 HIAF Cc1cccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)c1 84602575 BJWJWHANJDRZGO-UHFFFAOYSA-N 419.554 4.288 0 1 HIAF O=C(Nc1cnc(-c2ccccn2)s1)c1nc(C2CC2)ccc1Nc1cncnc1 95572335 KFNHVRAJBJOKTK-UHFFFAOYSA-N 415.482 4.263 0 1 HIAF O=c1c2ccccc2sn1[C@H](Cc1ccccc1)c1nnc(-c2cccnc2)o1 95593127 FGUFZGYOUAXWBQ-GOSISDBHSA-N 400.463 4.340 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](Cc3ccccc3)CS2)cc1 96273662 HCPJONOCDRERJJ-HXUWFJFHSA-N 416.550 4.325 0 1 HIAF O=C(O)[C@H]1CCCN(CCO/C=C\c2ccc(F)cc2Cc2ccccc2F)C1 96923647 KTUNXHGQFWELDZ-ADYPVZHUSA-N 401.453 4.340 0 1 HIAF COc1ccc(C(F)(F)F)c[n+]1CCCCOc1ccc2c(C)cc(=O)oc2c1 96938839 PHLCFIHBMUUNMQ-UHFFFAOYSA-N 408.396 4.276 0 1 HIAF CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4[C@](C)(COC(C)=O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 100777064 OQDCKOUFTOKDOD-JDAKRHAISA-N 406.563 4.257 0 1 HIAF endogenous,in-man CC(=O)Oc1ccc([C@@H]2CC(=O)c3c(O)cc(OC(C)=O)c(CC=C(C)C)c3O2)cc1 103203970 NCSPYAZBFFVPPG-NRFANRHFSA-N 424.449 4.458 0 1 HIAF C[C@@]1(COCc2ccc(OCc3ccccc3)cc2)CCn2cc([N+](=O)[O-])nc2O1 115602953 VWGRTYXITWEZSS-QFIPXVFZSA-N 409.442 4.128 0 1 HIAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3cccc(C(=O)O)c3)nn3ccnc23)n1 207342248 SXQQJBCNPIMTDT-HNNXBMFYSA-N 414.469 4.222 0 1 HIAF Cc1nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C2CCC2)n[nH]1 219033870 HLWHNQKEHLZMLT-UHFFFAOYSA-N 411.509 4.467 0 1 HIAF CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cncnc3)cc2)C2CC2)CC1 223643335 JZXDBJOGWXRHKE-UHFFFAOYSA-N 422.529 4.148 0 1 HIAF Cc1ccc(-c2noc(CNCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1 299862532 NHLUFPGZCQCLFT-UHFFFAOYSA-N 413.481 4.169 0 1 HIAF Cc1cc(C(=O)O)nc(N2C[C@H]3C[C@@H](c4cccc(F)c4C(F)(F)F)C[C@H]3C2)n1 473113399 GXMIZLNOUJHGFA-XYYAHUGASA-N 409.383 4.271 0 1 HIAF CS(=O)(=O)Nc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 586950333 FPJSIFFYLAZYMR-UHFFFAOYSA-N 400.685 4.017 0 1 HIAF O=c1ccc(-c2nc3ccc(CCO)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587055443 KEPXNGQOMFVJSJ-UHFFFAOYSA-N 414.292 4.282 0 1 HIAF O=C1COc2cc3[nH]c(-c4ccc(-c5cc(C(=O)O)ccc5F)cc4F)nc3cc2N1 587138713 RMUDMCHVTVMODK-UHFFFAOYSA-N 421.359 4.204 0 1 HIAF Cc1ccc(F)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335932 PLVHDSNJLGYFRC-FDDCHVKYSA-N 407.372 4.185 0 1 HIAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1I 587387258 PGAYJMDNGUDXSO-GOSISDBHSA-N 423.250 4.071 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)O2 587402387 ZWCRLTFNIBDAIS-GOTSBHOMSA-N 400.519 4.482 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 587413528 ROCUGKOFSONVFY-DNQXCXABSA-N 401.418 4.003 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)CCC(C)C)cc1)[C@@H](C2)C3=O 587451758 ZQFAZQODXRVZNU-AVRDEDQJSA-N 400.496 4.004 0 1 HIAF COC(=O)C[C@@]1(Cc2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506898 QQKASRBZBYTWGA-HSZRJFAPSA-N 400.421 4.353 0 1 HIAF Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587515024 IEICJUDJSRJJFQ-RUZDIDTESA-N 416.477 4.313 0 1 HIAF Cn1nc(C(F)(F)F)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554971 JZEFGXCXZBIGHZ-LPHOPBHVSA-N 404.344 4.022 0 1 HIAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccn1 587583744 XHUZWMXYGXBZRB-XUZZJYLKSA-N 413.433 4.158 0 1 HIAF CCN(CC)c1ccc(-c2nn(CC[C@H]3CCCN3C)c(=O)c3ccccc23)c(O)c1 587668091 ZKZDNPXFCQWORD-GOSISDBHSA-N 420.557 4.100 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)nc2)N1 587685093 SCPILBYIVGVLPQ-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF CCc1nn(CC)c2c1[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587768020 ZMXGCFKRRWFCMS-ODXCJYRJSA-N 406.343 4.481 0 1 HIAF C[C@H](Oc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)O 587789792 DLLTYRHGPJOWBL-JGRMJRGVSA-N 422.294 4.238 0 1 HIAF Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c12 587876728 XJASDSNLGFJTRN-UHFFFAOYSA-N 415.384 4.334 0 1 HIAF COc1cccc([C@@]2(c3ncco3)NCCc3c(Cl)cc(Cl)cc32)c1OC 963114211 XTUWNKINAYNWTQ-HXUWFJFHSA-N 405.281 4.436 0 1 HIAF CCOc1ccc(NC2=C(Cl)[C@@]3(C[C@H](C)C2)c2c(cnn2C)CCN3C)cc1 963956852 ZYCKMFHUBJWPSV-QRQCRPRQSA-N 400.954 4.494 0 1 HIAF CCOP(=O)(CCC(=O)N(Cc1ccccc1)c1cccc(CO)c1)OCC 1772628095 FLCYAFJXJKOKQG-UHFFFAOYSA-N 405.431 4.368 0 1 HIAF CCN[C@]1(CO)CCc2ccc(-c3nnc(-c4ccc(OC(C)C)c(C)c4)o3)cc2C1 1772653344 HSCSGOCEUZIOIR-RUZDIDTESA-N 421.541 4.329 0 1 HIAF COc1cccc(Cc2cc(C)nn([C@H](C)C(=O)Nc3cccc(Cl)c3)c2=O)c1 1857542401 ZCRABDQHSAXRII-OAHLLOKOSA-N 411.889 4.004 0 1 HIAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)[C@@H]3CCC(=O)C3)c2)[nH]1 1857612334 QISSFQLPYXZWRC-CQSZACIVSA-N 410.474 4.307 0 1 HIAF O=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2[C@@]1(O)Cc1ccc2c(c1)OCO2 1857614748 QIBAAICLHVZPND-QFIPXVFZSA-N 408.841 4.195 0 1 HIAF O=C1[C@H]2ON(c3ccccc3)[C@H](c3c[nH]c4ccccc34)[C@H]2C(=O)N1c1ccccc1 1857654253 FVBWOIHSSMXENX-ZLNRFVROSA-N 409.445 4.219 0 1 HIAF CCn1c(C(=O)N2CCC[C@H](C(=O)NCCc3ccc(C)cc3)C2)cc2sccc21 4119167 FTYHOMDFAYMDGA-IBGZPJMESA-N 423.582 4.242 0 3 HIAF COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC 763303 BLNHUDPLSOCHOF-FQEVSTJZSA-N 424.541 4.162 0 1 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4080223 XQYYSAZSKXQKAP-IRLDBZIGSA-N 405.885 4.330 0 1 HIAF CC(C)C[C@@H]1[C@H](C(=O)O)[C@H]1[C@](N)(CC1c2ccccc2Oc2ccccc21)C(=O)O 13912564 RQZMFVKQWUAIHP-ARKGGFPYSA-N 409.482 4.089 0 1 HIAF CC[C@H](C)c1nc2c(=O)n(Cc3ccccc3)nc(C)c2c2cc(-c3ccccn3)nn12 28525338 WSUOIQJLCOZSMB-INIZCTEOSA-N 424.508 4.371 0 1 HIAF NCCCn1cc(C2=C(c3cccc(-c4ccccc4)c3)C(=O)NC2=O)c2ccccc21 29124584 VKTMNLBZKAXVFJ-UHFFFAOYSA-N 421.500 4.224 0 1 HIAF COc1cccc(N2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)c1 33756120 OJIQYADBXSQJER-UHFFFAOYSA-N 401.510 4.182 0 1 HIAF O=C(O)c1ccc(N2N=C(c3ccc4[nH]c(=O)oc4c3)C[C@@H]2c2ccc(F)cc2)cc1 58563998 WEJFKQDHBKGIHH-HXUWFJFHSA-N 417.396 4.314 0 1 HIAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 64447364 AXYTWSCYIWVQDK-RLLQIKCJSA-N 406.532 4.120 0 1 HIAF O=C1OCC2=C1[C@H](c1cncc(Br)c1)c1ccc3ccc(O)cc3c1N2 71295707 ZFHLAZGWCLHMLR-QGZVFWFLSA-N 409.239 4.071 0 1 HIAF COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCN(C(C)=O)C[C@H]1c1ccccc1 73162915 SSEBEPRONSIAMK-PMACEKPBSA-N 422.447 4.088 0 1 HIAF CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1Cl)S(C)(=O)=O 95561100 YZSQLLJRMXUHCE-OAHLLOKOSA-N 401.315 4.177 0 1 HIAF C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(C2CC2)OC1=O 96178567 BEXKCJWAYLYKOS-GKVSMKOHSA-N 424.541 4.265 0 1 HIAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cncnc2[nH]1)C(F)(F)F 103250816 RSMAEJMIEPTWJC-IBGZPJMESA-N 411.399 4.309 0 1 HIAF COc1cc(OC)c([C@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)c(OC)c1 103272059 OXRRHZXIRQGING-OAQYLSRUSA-N 419.481 4.267 0 1 HIAF COCCN(CCOC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SC 169309988 FJFIUUZGIIIUIB-UHFFFAOYSA-N 404.580 4.275 0 1 HIAF CCOc1ccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)cc1 221117188 MIVNMCXHMIRTSB-ZKYUUJBMSA-N 404.482 4.398 0 1 HIAF O=S(=O)(c1ccc(Cl)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1)N1CCC1 586955353 GXAYKHFCFFINSO-UHFFFAOYSA-N 415.824 4.297 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(=O)O)cc3[nH]1)N2 587031127 LUKBIFVNYBJWTP-FBWGLTFQSA-N 414.512 4.388 0 1 HIAF COc1c(F)ccc(F)c1-c1nc2c(Br)cnc(Br)c2[nH]1 587132317 AHXKHLRHCUEOEC-UHFFFAOYSA-N 419.023 4.437 0 1 HIAF Fc1ccc(-n2nnc(-c3nc4c(F)cnc(Br)c4[nH]3)c2C2CC2)cc1 587168907 RIUPAPZDWZJLNW-UHFFFAOYSA-N 417.217 4.124 0 1 HIAF CC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 587239301 JCJCLNBCCOZZTP-TUVUNVSASA-N 413.518 4.321 0 1 HIAF Cc1cc(F)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587331556 HWRZBWWKLIXZRD-WMZHIEFXSA-N 407.372 4.185 0 1 HIAF CCO/C=C(/C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351434 UTRFTHWEORTUCH-MFNJMDGWSA-N 414.429 4.132 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1N1CCCC1)[C@@H](C2)C3=O 587430461 GEJGGXKALTXBTQ-CYFREDJKSA-N 415.493 4.278 0 1 HIAF CCOC(=O)[C@H]1CN(c2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517808 VRNKDTZTSHVAGI-ATIYNZHBSA-N 419.521 4.359 0 1 HIAF CC(C)(C)OC(=O)N1CC2(CC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 587597457 VIYAHJGNNAEUBY-MHECFPHRSA-N 423.465 4.124 0 1 HIAF O=C(c1cc(C2CC2)nc2onc(C3CC3)c12)n1ncc2ccc(Cl)cc2c1=O 587652593 WDVFQVHLOOCJGR-UHFFFAOYSA-N 406.829 4.029 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587720397 NJEWPSRNGOIAKK-ANRSDYALSA-N 406.221 4.447 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccn(C)n2)N1 587729117 BTDJSCOPTZHGLI-ODXCJYRJSA-N 418.285 4.287 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccn3)C[C@H]2C)N1 587759334 FXNVVRHSANLAPQ-VTJXTGGHSA-N 418.354 4.255 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@@H]2Cn2cncn2)N1 587760990 RUCFUJSASJNHQK-ZXYWRSMDSA-N 407.331 4.190 0 1 HIAF Cc1ccc([C@]2(c3ncc[nH]3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794143 SYAGUAXPDLGNFC-RBZFPXEDSA-N 400.295 4.446 0 1 HIAF CCOc1ccc(C(=O)[C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OCC 962767738 QNDMEVRFBUIVGD-LPHOPBHVSA-N 421.415 4.054 0 1 HIAF O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@@H](NCc1ccccc1)CC3 1772621293 WZFLOQVAPRKIEL-IBGZPJMESA-N 401.535 4.153 0 1 HIAF Cc1nocc1C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 1857554984 FGLWVXZZWLPYTL-UHFFFAOYSA-N 400.360 4.074 0 1 HIAF CCCCCC(=O)N1CC[C@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@H]1c1cccs1 2356316066 AVANJSDPIYIGCC-URVUXULASA-N 408.608 4.274 0 1 HIAF COc1ccc(CO[C@@H]2O[C@H](OCc3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)cc1OC 2356510150 OSEQANKLJOXPBT-BARSEPFQSA-N 416.470 4.121 0 1 HIAF Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@H]3COC(=O)Nc2ccccc2)n1 2356838679 MBZFEILWNWUTJO-IHPCNDPISA-N 418.497 4.472 0 1 HIAF Cn1cc(Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cn2)c2ccccc21 61927367 MOSYTAIXLPFWJV-UHFFFAOYSA-N 424.548 4.122 0 3 HIAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 776998 SBSOVLFLYQOBBW-LLVKDONJSA-N 406.816 4.441 0 1 HIAF CCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)c1C(F)(F)F 3814571 TXRHVHRTTYBPNN-UHFFFAOYSA-N 413.396 4.042 0 1 HIAF CC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 13818723 OVUOALQNCABCNU-GOTSBHOMSA-N 424.541 4.034 0 1 HIAF Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CCC(C)C)CC(=O)N12 15954534 HKINYRADOSXAKS-RDGATRHJSA-N 415.537 4.207 0 1 HIAF biogenic CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)c1ccccc1F 27522689 YAOQWBSTVZSGGB-MRXNPFEDSA-N 405.448 4.051 0 1 HIAF Cn1c(CC(=O)Nc2ccc(Br)cc2)cs/c1=N\c1cccc(F)c1 29125200 CGBCKIGVJPVVHZ-PYCFMQQDSA-N 420.307 4.402 0 1 HIAF FC(F)(F)c1cccc(CNCC2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 45202902 FKDYFUCVXOPMNP-UHFFFAOYSA-N 406.448 4.436 0 1 HIAF Cc1ccc2c(N3CCN(CCc4cccc(-c5cncnc5)c4)CC3)cccc2n1 53297293 TXTKNNITCFPFAN-UHFFFAOYSA-N 409.537 4.365 0 1 HIAF COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3ccccc3s2)CC1 66120272 CECKJAHVLJLQBE-VOTSOKGWSA-N 421.566 4.018 0 1 HIAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](C[C@H](OC(C)=O)[C@H]12)C3 95590046 ONGLJJBMKPIZJW-MKWYICQCSA-N 418.530 4.125 0 1 HIAF CCCOC(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 96286049 NDWDLJQCZNKAHG-QGZVFWFLSA-N 408.497 4.293 0 1 HIAF COc1ccccc1N1CCN(C[C@H]2CO[C@@H](c3cccc4ccccc34)O2)CC1 103220218 ZPOXZVXRHXPTRT-NBGIEHNGSA-N 404.510 4.085 0 1 HIAF O=C(O)CCCOc1cc(-c2cn[nH]c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144867651 JKULIROOSGYKDI-FQEVSTJZSA-N 418.371 4.099 0 1 HIAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@]23[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@@H]2[C@H]7[C@@]2(OCCCN23)[C@@H]46)cc1 169299191 RQXVHLUYOBCSQY-GZPADLACSA-N 419.565 4.048 0 1 HIAF COc1ccc([C@@H](N)CCCC[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 169328087 NLVVORBLCPHBPE-PMACEKPBSA-N 414.546 4.168 0 1 HIAF CC1(C)C[C@@H](NC(=O)Nc2cccc(Cl)c2)c2cc(NS(C)(=O)=O)ccc2O1 169339998 OGVCNVVROGMWCB-MRXNPFEDSA-N 423.922 4.135 0 1 HIAF CC(=O)c1ccc(OCc2cn(CCNc3ccnc4cc(Cl)ccc34)nn2)cc1 198850647 IKXDRXDOLDDTCZ-UHFFFAOYSA-N 421.888 4.373 0 1 HIAF COc1cc(C#N)ccc1Nc1cc2cc(-c3cnn(CC(C)(C)O)c3)ccc2cn1 207712794 TWCIJZRAJDALSF-UHFFFAOYSA-N 413.481 4.493 0 1 HIAF Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cc21 223467565 PPVWKZWUSNETPC-UHFFFAOYSA-N 406.873 4.229 0 1 HIAF COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4cccc(F)c43)nc12 261094951 FELVYEBDDUWJPP-UHFFFAOYSA-N 414.444 4.311 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2ccc3ccccc3c2)cc1 299836880 IFYRDAMGDDMFTC-SFHVURJKSA-N 419.428 4.357 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@H]3CCc4occc4C3=O)nc2c1 586908040 PZQSETXOYZTTAZ-SNVBAGLBSA-N 417.259 4.083 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5cc(F)cnc5OC)nc4c3)o2)cc1 587176101 MWZBQYGWHPKVMI-UHFFFAOYSA-N 417.400 4.498 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCn4ccnc4)c(Cl)c1)[C@@H](C2)C3=O 587421706 WSOLMKGGDWPQIF-AOMKIAJQSA-N 410.857 4.113 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1)[C@@H](C2)C3=O 587435017 CTTLSRNQVNJHSW-QQMNAOGKSA-N 401.503 4.237 0 1 HIAF CN1CCO[C@@H]([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587498267 DTALPTMHGLAWAN-ISKFKSNPSA-N 411.929 4.410 0 1 HIAF Cn1nc(C(F)(F)F)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554965 JZEFGXCXZBIGHZ-APWZRJJASA-N 404.344 4.022 0 1 HIAF C[C@H]1CN(Cc2ccccn2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587761103 OLLZUODCBCZVFV-PDSXEYIOSA-N 418.354 4.255 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NC[C@@H]1CCCO1 587860013 OMIVEYAZQRWZJI-LBPRGKRZSA-N 400.331 4.157 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C(F)(F)F)nn1C 587861603 VNVPULFOAVQLNS-UHFFFAOYSA-N 418.297 4.018 0 1 HIAF Fc1ccc([C@@H](F)C2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1 653667443 VUOHSAKTHSIXQA-IBGZPJMESA-N 414.435 4.200 0 1 HIAF CN(C)C[C@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963772 ZCRUBDQVNAUECU-JOCHJYFZSA-N 404.476 4.162 0 1 HIAF CC1(C)CN2c3cc(Br)cc(c31)[C@@]21CCC(=O)N2CCc3cccc1c32 963066314 GOBCVSPDKORPGS-QFIPXVFZSA-N 409.327 4.487 0 1 HIAF C=CC(=O)Nc1ccc(-n2c(=O)ccc3oc4ncc(-c5cccnc5)cc4c32)cc1 1857584564 FRDYUMFUYAPZIO-UHFFFAOYSA-N 408.417 4.318 0 1 HIAF CCn1c([C@@](O)(c2ccc(F)cc2)c2ncccc2C)nc2ccc(CCCO)cc21 1857606877 WRLRNTKHZKXOBC-RUZDIDTESA-N 419.500 4.108 0 1 HIAF CC(=O)OC1=NN=C(OC(C)=O)C12CC=C(C)C[C@H]2c1ccc(Br)cc1 2502258 FSYFAIMDFGAXPS-INIZCTEOSA-N 419.275 4.111 0 1 HIAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl)N1CCOCC1 4077482 LSKXHDZPNRLKQQ-IEBWSBKVSA-N 423.271 4.083 0 1 HIAF COc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N(C)C2CCCCC2)cc1OC 9643541 HCXITWYWCHCSLX-OAQYLSRUSA-N 421.541 4.282 0 1 HIAF O=C(/C=C/c1ccccc1)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 14806469 LCPXFIYCSRAKAD-FUNIIJOYSA-N 402.402 4.039 0 1 HIAF CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@H]1NCCc1ccccc1 28122970 IRCXZXVVXFGLDK-XMMPIXPASA-N 402.494 4.365 0 1 HIAF CC(C)OC(=O)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 29471623 CYTXLQMHNUNQKE-CCEZHUSRSA-N 424.837 4.396 0 1 HIAF C[C@@H]1CN(C[C@@H](C)N(C)C(=O)CCc2ccc(O)cc2)CC[C@@]1(C)c1cccc(O)c1 40499168 VFXDHFJSVIUCGU-XMERXJNXSA-N 424.585 4.177 0 1 HIAF CCOc1ccc(C(=O)NN2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)cc1 64549436 VMHXLMYVNRJVIV-QFIPXVFZSA-N 417.465 4.005 0 1 HIAF O=C(Cc1ccc2ccccc2c1)Nc1nnc(-c2ccc3c(c2)OCCO3)s1 72124282 HGFBXELKPNHMQU-UHFFFAOYSA-N 403.463 4.311 0 1 HIAF COc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)c(O)c1 84723222 KAIPQGLJDHJIDP-UHFFFAOYSA-N 421.272 4.188 0 1 HIAF Nc1n[nH]c2nc(Nc3cccc(NC(=O)Nc4ccc(F)c(Cl)c4)c3)ncc12 84741724 GAOZHXLWEXPTEU-UHFFFAOYSA-N 412.816 4.115 0 1 HIAF COCC1(N(C(=O)[C@H](C)[18F])c2ccccc2)CCN(CCc2cccs2)CC1 101032875 JSQPDFXSOMVVSP-VQOOMOCHSA-N 403.554 4.163 0 1 HIAF Cc1nc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)sc1Br 166450256 YRZJRVLGAJFCTI-UHFFFAOYSA-N 409.240 4.188 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2ccc(F)cc2)cc1 299856382 BRJRJWOWPFJJDT-JTHBVZDNSA-N 421.497 4.001 0 1 HIAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586997596 ZPNKZQNOGYBYCC-UHFFFAOYSA-N 409.305 4.043 0 1 HIAF Clc1ncc(I)c2[nH]c(-c3ccc(Br)o3)nc12 587007283 GHNPQRHRFGVCFZ-UHFFFAOYSA-N 424.423 4.238 0 1 HIAF COc1nccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587033316 YPKBTJHYKFJGDQ-QVIVLVACSA-N 401.517 4.093 0 1 HIAF Cc1csc([C@](O)(Cc2nc3ccc(Br)cc3[nH]2)C(F)(F)F)n1 587093491 FKEXPYWUTLRFLO-CYBMUJFWSA-N 406.227 4.083 0 1 HIAF CCOC(=O)c1ccc2nc(-c3ccc(OC)cc3I)[nH]c2c1 587179581 BTAQZMGDXQNPMF-UHFFFAOYSA-N 422.222 4.020 0 1 HIAF CCOC(=O)c1ccc2nc(-c3cc(I)ccc3F)[nH]c2c1 587182628 LVGKKTYOSZGVGO-UHFFFAOYSA-N 410.186 4.150 0 1 HIAF O=C(N[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1 587218286 HWICOZFBMLHWNK-IBGZPJMESA-N 407.376 4.404 0 1 HIAF COC(=O)C(=O)[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362665 MAWLQCWDMAAMGZ-KRWDZBQOSA-N 401.418 4.429 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(OCC)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587376605 SMWIAQPQUBZSAL-QFIPXVFZSA-N 417.889 4.443 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OCC(=O)O)c(OC)c1)CC2=O 587462447 ZMTKQSGVSJLFQT-QGZVFWFLSA-N 420.845 4.177 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cc(OC)ccc1OC)CC2=O 587472178 YMEPCRJREJKXCZ-HSZRJFAPSA-N 413.470 4.115 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)N1CCCCC1)CC2=O 587474261 FTSYJKHRVQWNJG-QHCPKHFHSA-N 423.509 4.443 0 1 HIAF COCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587599184 WIQFWXIJJHGZEZ-QPPBQGQZSA-N 422.433 4.129 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(C2CCOCC2)N1 587774146 LSGFUMXKEBOWET-RBZFPXEDSA-N 405.311 4.188 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(N)=S)cc2)N1 587844398 NQQBHXCPIHHLDV-MGNBDDOMSA-N 408.340 4.041 0 1 HIAF O=C1O[C@@]2(C(=O)N(c3ccc(Cl)cc3)C(=O)N2c2ccccc2)c2ccccc21 653851986 UBJSIZKYCUXERT-JOCHJYFZSA-N 404.809 4.337 0 1 HIAF C[C@@H](c1ccccc1)N1c2cc(-n3c(O)nc4ncccc43)ccc2C(=O)NC1(C)C 653851995 WNYKGJHEQVIFGL-HNNXBMFYSA-N 413.481 4.173 0 1 HIAF C[C@]1(c2cccc(-n3cccc3)c2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962625812 CZBCURUDQHBVII-LAUBAEHRSA-N 416.399 4.238 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H]([C@@H]2CCN(Cc3ccccc3)C2)N1 962717987 YCDQONAFKQBXHC-UAOJZALGSA-N 422.422 4.007 0 1 HIAF CCOC(=O)c1ccccc1[C@]1(C(C)(C)CC)N[C@H](C(=O)O)Cc2cc(F)ccc21 962899066 QGMMRMOBELMBEF-GBXCKJPGSA-N 413.489 4.281 0 1 HIAF C[C@]1(Cn2ccc(=O)c3ccccc32)c2ccsc2CCN1Cc1cccnc1 962993570 JVQJKCFJTQCXTM-DEOSSOPVSA-N 401.535 4.432 0 1 HIAF CS(=O)(=O)c1ccc(-c2cccc([C@@H]3c4c(F)cccc4C[C@H]4CCCN34)n2)cc1 963108366 LOPSFAWVEUZVDW-HOYKHHGWSA-N 422.525 4.401 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2ccsn2)=N[C@H]1c1ccc(F)cc1Cl 1857635200 XZZUZBXSRKBFKS-KRWDZBQOSA-N 405.882 4.350 0 1 HIAF COC(=O)C=C(OC)[C@H](C)[C@@H](O)C=Cc1csc(-c2csc(C(C)C)n2)n1 2356618618 BHOYNBJAHBSDKO-DOMZBBRYSA-N 408.545 4.104 0 1 HIAF CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccc2[nH]cnc2c1 12316840 ZOAXIDORVLLFBL-SFHVURJKSA-N 410.949 4.243 0 3 HIAF Cn1cccc1-c1cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccn2)[nH]n1 13595231 SFBMMSWLODLMIY-DEOSSOPVSA-N 422.492 4.079 0 3 HIAF Cc1ccc(C(C)C)c(OCC(=O)N2N=C3CC[C@@H](C)C[C@@H]3[C@]2(O)C(F)(F)F)c1 4172203 ADWUUUJQYFCWKJ-PSGMQZRDSA-N 412.452 4.383 0 1 HIAF CC(C)=CCN1CC[C@]2(C)c3cc(O)c(I)cc3C[C@H]1[C@H]2C 13742462 BWXORCIRGKQZPT-FMEYXAORSA-N 411.327 4.487 0 1 HIAF OCCCN1CCN([C@H]2Cc3cc(F)ccc3Sc3ccc(Cl)cc32)CC1 19370873 JZQAYJQTMPHVAJ-IBGZPJMESA-N 406.954 4.228 0 1 HIAF O=C1c2sccc2N(Cc2ccccc2Cl)S(=O)(=O)N1Cc1ccccc1 29124315 YSIOMERBYDXNHE-UHFFFAOYSA-N 418.927 4.309 0 1 HIAF CC(C)Oc1ccc2c(c1)C[C@H](c1nc3ccc(-c4ccnc(N)n4)cc3o1)CO2 40393601 KIWVNEOIVMYMPW-INIZCTEOSA-N 402.454 4.373 0 1 HIAF CC(C)OC(=O)C[C@H]1C(C(=O)OC(C)C)=C(N)Oc2ccc(-c3ccccc3)cc21 42989371 MMJDKOIXEGPBMY-LJQANCHMSA-N 409.482 4.293 0 1 HIAF Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12 63540186 YPDWGKSFVMASOZ-UHFFFAOYSA-N 424.455 4.013 0 1 HIAF COc1ccc(-c2cn(C)c(CSc3nc4ccccc4c4nc(C)nn34)n2)cc1 71340290 LRXMTZJJWITRMA-UHFFFAOYSA-N 416.510 4.287 0 1 HIAF O=C1CSC(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccccc2)=N1 73296741 ILHWBBJDMDWNNH-INIZCTEOSA-N 400.301 4.230 0 1 HIAF O=C(C1CCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO 95875771 NPXWAHHKOIONJD-DSITVLBTSA-N 422.544 4.044 0 1 HIAF C[C@@]1(c2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)ccc2F)CCSC(N)=N1 96174354 GARAICGSKAAZGK-FQEVSTJZSA-N 400.454 4.365 0 1 HIAF COc1ccc(NC(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cccc(F)c3)cc2)cc1 100106269 RFAYFJHWLMZVII-BKFWDETESA-N 417.484 4.473 0 1 HIAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)[C@H]1CC[C@H](C2)N1 113218753 COJKEZKAKAGCDA-XMSQKQJNSA-N 411.505 4.257 0 1 HIAF O=c1ccc2ccc(OCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1 115084580 VDRZDRCYBDVYFF-UHFFFAOYSA-N 419.550 4.334 0 1 HIAF CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(C(N)=O)cc2)cc1 145234246 NZEPCVKCXKRRAK-UHFFFAOYSA-N 422.550 4.299 0 1 HIAF CCCCC(=O)N1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166523099 UOEUEZTZIGBCCA-UHFFFAOYSA-N 422.529 4.189 0 1 HIAF CN1CCN(c2ccc(Nc3ncc4ccn([C@H]5C[C@H]6CC[C@H]5C6)c4n3)cc2)CC1 261070965 ACDIRSKTMRLXAX-SPEDKVCISA-N 402.546 4.288 0 1 HIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCN1CCCCC1 587400054 OKWRMKLQKJLBHB-JOCHJYFZSA-N 410.514 4.157 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1-n1cccn1 587558116 QCHXXRQHVRTJDF-XXBNENTESA-N 402.381 4.420 0 1 HIAF CCOC(=O)C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573422 WMCQVGHLJBYKQF-QPPBQGQZSA-N 422.408 4.342 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)n2)N1 587686715 XMHICHGMNJDEBM-ANRSDYALSA-N 400.089 4.369 0 1 HIAF Cc1ccc2oc(N)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587749037 ZVFOJKIILXVVAA-YPMLDQLKSA-N 417.278 4.209 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccccc3)c2)N1 587758945 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COc1cccc(CN2C(=O)COCc3cc(-c4ccc(N(C)C)cc4)ccc32)c1 205218593 WERXJLYYBNWQSI-UHFFFAOYSA-N 402.494 4.492 0 3 HIAF CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(OC)cc2)c2ccc(Cl)cc21 206033569 SFBCIESRKWEVPD-OAQYLSRUSA-N 424.884 4.463 0 3 HIAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1OC 773615 JGQBTYUJGALDJT-KDOFPFPSSA-N 412.461 4.293 0 1 HIAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)NCc2cccnc2)C1 4924587 MZQRWYSMDDPLNV-IBGZPJMESA-N 424.932 4.227 0 1 HIAF CC(=O)Nc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1 8599693 QBUJTFKRUOOPMH-UHFFFAOYSA-N 424.526 4.111 0 1 HIAF Cc1ccc(CC(=O)NC[C@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 28523106 GFIKVUHWODPRCS-AREMUKBSSA-N 413.565 4.217 0 1 HIAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 29473212 YAOVVGHJZSRMCN-UHFFFAOYSA-N 408.329 4.435 0 1 HIAF COc1cc2nc(NCCCCCO)nc(NC[C@H](C)c3ccccc3)c2cc1OC 82126130 BRRWWLYNFQSDFD-KRWDZBQOSA-N 424.545 4.437 0 1 HIAF Cn1c(C23CC4CC(CC(C4)C2)C3)nn(CN2CCN(c3ccccc3)CC2)c1=S 96937757 UCGYPTCBGMRTSX-UHFFFAOYSA-N 423.630 4.199 0 1 HIAF COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4nnnn4C=N[C@H]32)cc1 98083426 RAEZGOIFZLNUMN-UPVQGACJSA-N 420.476 4.070 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@@]21C 100700333 WNENMRZSIGSSCW-KLVMTCMTSA-N 400.607 4.190 0 1 HIAF O=C(N[C@H]1COCC[C@@H]1NC1CCCCC1)c1ccc(C(F)(F)F)cc1C1CC1 118615734 FOKCTZHJZFZIBY-PMACEKPBSA-N 410.480 4.392 0 1 HIAF FC(F)(F)c1ccc(Nc2ncnc3c2CN(c2ncccc2Cl)CC3)cn1 147562747 QIOYDLYXMYJVSO-UHFFFAOYSA-N 406.799 4.245 0 1 HIAF CC1(C)C[C@H]1C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166400952 MWNKAUDDAYGUNT-QFIPXVFZSA-N 416.525 4.291 0 1 HIAF COc1ccccc1N1C(=O)CS[C@@H]1c1cccc(C(=O)NCc2ccccc2)c1 169342695 WVULUTOQONNQSU-XMMPIXPASA-N 418.518 4.404 0 1 HIAF CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)C1 169703890 KJDKQSPIYGRKFY-UHFFFAOYSA-N 424.504 4.328 0 1 HIAF C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 169709490 RSWQELPLJNRBEB-KBXCAEBGSA-N 419.447 4.345 0 1 HIAF CC(C)n1cc2c(n1)C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 220421122 OGSOMZCUMMDDJU-SFHVURJKSA-N 417.296 4.219 0 1 HIAF COc1ccccc1C(OC[C@H](O)CN1[C@H](C)CCC[C@H]1C)c1ccccc1OC 253687475 LFECEAWQGOGUJX-VAMGGRTRSA-N 413.558 4.434 0 1 HIAF CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)N[C@@H](C)c2ccccc2)cc1Cl 473155131 PEMUPQXTGRRHPC-NSHDSACASA-N 422.316 4.037 0 1 HIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586964255 WBNMOIQROONWPA-NSHDSACASA-N 423.292 4.071 0 1 HIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(F)cnc(Br)c4[nH]3)cc2N1 587125739 STCCZMBLXXNRES-YLWLKBPMSA-N 419.180 4.031 0 1 HIAF Fc1cc2c(c(Cc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c1)OCOC2 587170943 HAVQAVBGURWFJN-UHFFFAOYSA-N 403.282 4.208 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2cnc(Cl)cc2[nH]1 587181180 OFNYOABZBOLEKD-ZETCQYMHSA-N 401.639 4.050 0 1 HIAF COc1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587238569 DJZINIIBJMRAMM-LEXZLQQCSA-N 401.507 4.127 0 1 HIAF O=C(O)c1cccc2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 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HIAF COc1c(OCC2CC2)ccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772573325 XVYYWXPSOFIJIS-KRWDZBQOSA-N 408.542 4.239 0 1 HIAF Cc1ccc(CN2CC[C@@H](N3CC[C@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F 1772577313 PUIRTODRPCIZAD-TZIWHRDSSA-N 418.459 4.065 0 1 HIAF O=C(NC1CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)nc1Cl 1772650737 CRWOMNWHLXXELU-UHFFFAOYSA-N 403.313 4.264 0 1 HIAF FC(F)(F)c1cc(N2CCC(NC(=S)Nc3cccnc3)CC2)ncc1Cl 1857570536 IEHHKBKAWYYAIY-UHFFFAOYSA-N 415.872 4.104 0 1 HIAF COc1ccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@@]2(O)c2ccc(F)cc2)cc1 1857773881 UWMDFFIWEULRBU-HSZRJFAPSA-N 408.404 4.069 0 1 HIAF COc1ccc(-c2[nH]c3ccc(C4CCN(C5CNC5)CC4)cc3c2C)cc1OC 1911578729 GKHRYAQSYJDANG-UHFFFAOYSA-N 405.542 4.312 0 1 HIAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 2356286712 MVQVHNOCHJGEIL-IPMKNSEASA-N 403.530 4.180 0 1 HIAF CC[C@@H]1CCCC=CC=C[C@H](O)C[C@@H](O)CC=CC=C[C@@H](O)CC=CC=CC(=O)O1 2356778233 PNIHJNURJFVDOY-NAVOZUGXSA-N 416.558 4.082 0 1 HIAF Cc1ccccc1CN1C[C@@H]2C[C@@H](c3c[nH]nc3-c3ccccc3)N3CCC[C@@]23C1=O 11935117 GBEMYUIRDKQKFE-KJOQGJGQSA-N 412.537 4.323 0 3 HIAF COCCNc1nc(NCc2cc(-c3ccc(OC)cc3)no2)c2sccc2n1 61897944 NRGAFBUCYHSJKT-UHFFFAOYSA-N 411.487 4.025 0 3 HIAF CSc1ncnc2c1ncn2CCCNCC(c1ccccc1)c1ccccc1 61922473 NLPIALQXOXVFBL-UHFFFAOYSA-N 403.555 4.360 0 3 HIAF O=C(NCCCCN1CCN2c3ccccc3CC[C@@H]2C1)c1ccc2ccccc2c1 3988538 KIVKVDKAEVGINM-RUZDIDTESA-N 413.565 4.487 0 1 HIAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl)N1CCOCC1 4310396 UZEPYMFWEZKDQI-IEBWSBKVSA-N 423.271 4.083 0 1 HIAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)N(CCN3CCCCC3)C(=O)C[C@H]12 6482729 ZOAJGMAIXWPQOE-FCBCXNLDSA-N 424.585 4.002 0 1 HIAF OC1(c2ccc3c(c2)CN(Cc2ccco2)CCO3)CCN(c2ccccc2F)CC1 11995937 ZIRPXBZSFISGAK-UHFFFAOYSA-N 422.500 4.301 0 1 HIAF CCCCCCc1ccc(C(=O)Nc2cccc3c(=O)cc(-c4nnn[nH]4)oc23)cc1 13725146 OMZSXMJYCZJLNG-UHFFFAOYSA-N 417.469 4.348 0 1 HIAF CCOc1cc2c(cc1OC(C)=O)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 26479814 ODCPXECWPPGARJ-FDZLFRNSSA-N 414.498 4.439 0 1 HIAF CC(C)[C@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)Cc1ccc(O)cc1 27560417 MGGUOWHPOJLMQU-VFHOHQAYSA-N 424.585 4.081 0 1 HIAF CCC(=O)N(c1ccccc1)C1(COC)CCN([C@H](C)C(=O)c2cccs2)CC1 27977546 BAJOPMFJJOKSDQ-GOSISDBHSA-N 414.571 4.244 0 1 HIAF CC(C)N(CC[C@@](CCN1CCCC[C@@H]1C)(C(N)=O)c1ccccc1F)C(C)C 39254156 HNJSVUQOEWVGOF-GBXCKJPGSA-N 405.602 4.322 0 1 HIAF O=C(c1ccc(Cl)c(Cl)c1)[C@@H]1NS(=O)(=O)c2ccc(Cl)cc2S1 40848436 INVHUHRMYZADBM-CQSZACIVSA-N 408.715 4.240 0 1 HIAF COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C(C)(C)C)cc3)c2=O)c1 43014962 IIUFGJSTLXSSDD-UHFFFAOYSA-N 419.525 4.087 0 1 HIAF COc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)Cc4ccccc4)cc23)c1 84655225 LYMCNDKUWQJVLI-UHFFFAOYSA-N 401.466 4.140 0 1 HIAF CC(C)(C)CC(=O)N1CCc2ncsc2[C@@H]1c1cc(Cl)ccc1OCC(=O)O 206925469 SOUCRGYZJLSQPH-SFHVURJKSA-N 422.934 4.170 0 1 HIAF C[C@@H]([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)[C@H]1C[C@H]1C(=O)O 299848576 SPBCVLSZAPVLJN-JCVJYUGISA-N 404.591 4.334 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(Cc3c[nH]c4ccc(F)cc34)nc2c1 587174815 LUVITZRJCRWBHS-UHFFFAOYSA-N 402.223 4.323 0 1 HIAF CC(C)(C)OC(=O)NC1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCC(=O)CC1 587233858 FJWYNEZSGKLJKG-UHFFFAOYSA-N 413.396 4.325 0 1 HIAF O=C(c1ccc(C(F)(F)F)cc1)c1c(CO)oc2cc(Br)cnc12 587276347 MSZFCDVLSZMQNN-UHFFFAOYSA-N 400.150 4.332 0 1 HIAF C[C@@]1(CC(=O)Nc2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329882 AVUHJGIVDZCFLB-GMAHTHKFSA-N 406.413 4.073 0 1 HIAF CCOCCOc1ccc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587378586 VXYUMEKOQPSNFQ-IBGZPJMESA-N 420.303 4.462 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cnn(-c4cccc(Br)c4)c1)[C@@H](C2)C3=O 587420435 WPCCIYRYAOEPLI-JXFKEZNVSA-N 411.255 4.132 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C(Br)=COc4cc(F)ccc41)[C@@H](C2)C3=O 587429628 VZRDKRVZNUDXIA-DJJJIMSYSA-N 403.203 4.106 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](COCc1ccccc1)(CC(=O)OCC)CC2=O 587476275 AIPZJDZQXRXFNP-XMMPIXPASA-N 412.482 4.219 0 1 HIAF COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n2c(C=O)cccc12 587519255 WYACYZUFCMDTMX-JOCHJYFZSA-N 403.434 4.124 0 1 HIAF O=C(O)CC[C@@]1(c2ccc3c(c2)OCCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587536489 UQWCUHPDMAFIAF-VWLOTQADSA-N 422.477 4.452 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccccc3c2=O)N1 587778894 OPYKZKCHSPWOPY-GIPWTMENSA-N 401.279 4.227 0 1 HIAF COC(=O)c1cc(OC)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807215 KDJFFTMTMSDONX-XTZNXHDOSA-N 408.267 4.007 0 1 HIAF COc1cc2c(cc1OC)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808106 NMKOIVNJTGFOSM-YBTHPKLGSA-N 406.295 4.329 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ncccn3)nc(Cl)c2C)s1 653808429 QQBPTGOPJQLVTM-UONOGXRCSA-N 416.938 4.096 0 1 HIAF CCCCC[C@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962623380 BKZPWHTVIOJYST-FOIQADDNSA-N 408.420 4.403 0 1 HIAF C[C@]1(CC(F)(F)F)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963414241 JPTRXQGELGITBK-UWJYYQICSA-N 416.399 4.487 0 1 HIAF COc1ccc(-c2ccc(CCNc3nc4cc(Cl)ccc4c(=O)n3C)nc2)cc1 1772593510 NYLBGZNMXFQQEF-UHFFFAOYSA-N 420.900 4.312 0 1 HIAF COc1cc(C=CC(=O)OC[C@@]2(C)C=Cc3cc(C(C)=O)cc(OC)c3O2)ccc1O 2356464886 DIFAJKVMINUCRH-XMMPIXPASA-N 424.449 4.033 0 1 HIAF S=C1NC[C@H](Cc2ccccc2)N1CC1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)CC1 104159517 CBKUKFGMDRGLRT-ZJZGAYNASA-N 411.659 4.326 0 3 HIAF CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O 5923822 FEFAAEYMDHYUFL-IWFQAGGASA-N 406.567 4.411 0 1 HIAF CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1 5950459 YPODCXIBXHQCBP-ACRUOGEOSA-N 415.578 4.118 0 1 HIAF CS(=O)(=O)c1ccc(Cc2cc3c(cc2O)C[C@H](CCc2ccccc2)O3)cc1 13453387 SQDCSZMVWAQBCP-NRFANRHFSA-N 408.519 4.323 0 1 HIAF Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)c1ccc(Cl)cc1 13644296 MOFHAGFIUWSZCB-UHFFFAOYSA-N 408.933 4.225 0 1 HIAF Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1C 13941171 AMZDKPJJASZWNB-IDMHTPPZSA-N 412.489 4.113 0 1 HIAF COc1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccc(C#N)c3)c2=O)cc1 25429274 ZNQGMWRPSWIMRQ-IRLDBZIGSA-N 411.505 4.015 0 1 HIAF biogenic Cc1c(CC[C@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)cn1-c1ccccc1 26745840 VEWGDVSTEWFLQL-LEWJYISDSA-N 411.473 4.111 0 1 HIAF Cc1cccc2c1C=CC21CCN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 27309347 XDICFWJUUJQOOZ-HOYKHHGWSA-N 413.583 4.081 0 1 HIAF CCOCCOCCOc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 28712060 YGPOWVXRZIFBIU-UHFFFAOYSA-N 402.535 4.209 0 1 HIAF Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCCCCC1 29038069 KYFRIZCSHPMESO-FPOVZHCZSA-N 418.603 4.212 0 1 HIAF O=C(O)Cc1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 29132805 ZDQYZZAKPIWNLU-QHCPKHFHSA-N 409.913 4.500 0 1 HIAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 29483831 GFWKHLGNTRIBOR-ZEIJNTJCSA-N 412.574 4.275 0 1 HIAF CO[C@H](C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCc2cccs2)C[C@H]1C 34114401 JIKKIUARYBEXPE-HLIPFELVSA-N 404.551 4.208 0 1 HIAF Cn1nc(COc2ccc(F)cc2)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2 64565979 HJXLULOZRBNZDP-UHFFFAOYSA-N 414.868 4.382 0 1 HIAF Cc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175304 MBLXBNBLRGWUNA-BEFAXECRSA-N 419.550 4.160 0 1 HIAF CCC(=O)[C@@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@H]1N2 100911964 IPBBJWDRJMAEIL-MMYVAXCBSA-N 403.691 4.148 0 1 HIAF CN(C)Cc1ccc([C@H]2C[C@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1 103294158 WIUYFJQWJMBTCE-RTBURBONSA-N 417.538 4.490 0 1 HIAF Fc1ccc(CC2CCN(c3nc4ccncc4nc3NCC(F)F)CC2)c(F)c1 144167647 GYECBCFRORYZQZ-UHFFFAOYSA-N 419.426 4.439 0 1 HIAF O=C(NCC1CCOCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148218392 SBSITDFVMRUGGO-UHFFFAOYSA-N 404.470 4.169 0 1 HIAF CCN(CC)CCC[C@H](C)N[C@H](C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1 169342135 IQLAPNNGZXAPIV-LSDHHAIUSA-N 404.990 4.123 0 1 HIAF COC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 169720307 WPVQQAJSKUHFNZ-VXKWHMMOSA-N 421.424 4.401 0 1 HIAF CC(C)[C@@]1(C)CC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)OC1=O 221054423 RMMNMSJCEISPQL-OUYJLQGDSA-N 413.558 4.201 0 1 HIAF C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1-c1ccccc1C3=O 587102977 CBAATIQSQYEYOJ-BQWDTFHLSA-N 410.473 4.436 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)cnc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587240297 SDUYUKBJTFQPOB-NOPHNCEQSA-N 424.904 4.305 0 1 HIAF O=C1c2ccc(O)cc2O[C@](Cc2cccc(F)c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587332124 IZHQOISNEDXCEC-OFNKIYASSA-N 410.372 4.095 0 1 HIAF C[C@@]1(c2ccccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349085 PGRVZOVRDGNSDF-VWNXMTODSA-N 422.408 4.269 0 1 HIAF CCOC(=O)C[C@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358235 WEYUGYRESZPXDO-JTHBVZDNSA-N 410.397 4.332 0 1 HIAF COc1cc2c3c(c1)O[C@](c1cnn(-c4ccccc4)c1)(c1ccccc1O)[C@@H](C2)C3=O 587433457 YODQODWQGIXZGE-HFZDXXHNSA-N 424.456 4.278 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(F)cc1F)CC2=O 587468431 XADBLJFHYRXYOV-JOCHJYFZSA-N 404.409 4.437 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(F)n1 587569447 LFVVULYRIKJKDP-QAPCUYQASA-N 416.202 4.392 0 1 HIAF C[C@@]1(c2cccc(N3CCCC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597028 UCLHZDWFVOYRTL-DHLKQENFSA-N 415.445 4.396 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614977 DZFJOURUHYDEPY-CVDCTZTESA-N 406.390 4.185 0 1 HIAF Cn1c(-c2ccccc2)nnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656292 IWXKGHDNDJDFEI-UHFFFAOYSA-N 415.403 4.126 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)nc2/C=C/N(C)C)N1 587744458 BHFPAEMANYKIFR-SOUFYDLCSA-N 420.326 4.019 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3cccc(CO)n3)CCC2)N1 587773701 RIUVZTBGIPTISD-LRTDBIEQSA-N 417.322 4.473 0 1 HIAF COc1cc(C=O)ccc1OC[C@]1(c2ccccc2)NCCc2ccc(F)c(C)c21 962142864 GMWRGQGPQYYWIQ-RUZDIDTESA-N 405.469 4.424 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](c2cccs2)(C2CC2)N1 962924230 OGQKPDSFXKRVQW-NZQKXSOJSA-N 407.491 4.499 0 1 HIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2coc(-c3cccc(Cl)c3)n2)N1 963240167 YFDHIWZXNTZOFS-UYAOXDASSA-N 405.841 4.232 0 1 HIAF CCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1 1772633951 DNANXIPNKZQNRE-UHFFFAOYSA-N 422.573 4.159 0 1 HIAF Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NN2CCCCC2)cc1 1857584115 IVLYPVSXMCTNEG-BUHFOSPRSA-N 416.569 4.339 0 1 HIAF CCOc1ccc(Cl)cc1[C@H](C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1857633230 NVTMCDCONQTRQY-NSHDSACASA-N 417.314 4.141 0 1 HIAF CC(C)[C@H](C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)nc1)c1ccccc1 1857636655 KHKLSMMMMRFDLK-NRFANRHFSA-N 406.461 4.434 0 1 HIAF CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 61930271 BGPSPPSRTRDFDQ-XMMPIXPASA-N 412.961 4.487 0 3 HIAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 199397094 RPJAOXLIZUSQQC-AREMUKBSSA-N 419.569 4.288 0 3 HIAF Nc1cc2c3c(cccc3c1)C(=O)N(c1ccc(OCCN3CCCCC3)cc1)C2=O 1648679 HKDJHWLQLZKDKT-UHFFFAOYSA-N 415.493 4.087 0 1 HIAF O=C(N[C@@H](CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O)c1ccccc1 2007037 XKMCVGDSJDOSCV-NRFANRHFSA-N 409.530 4.206 0 1 HIAF CCN1c2ncc(COc3cccc(O)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 6385139 ULBJEZHPUJEVCL-UHFFFAOYSA-N 410.861 4.163 0 1 HIAF Cc1cnc2c(-c3ccc(F)c(F)c3)c(-c3ccc(S(C)(=O)=O)cc3)nn2c1C 13861630 IXSXXLVHKHPHNR-UHFFFAOYSA-N 413.449 4.362 0 1 HIAF O=C(c1ccc(Cl)cc1)n1c2c(c3cc(S(=O)(=O)O)ccc31)CSCC2 28118931 FEXATLUCWITBGC-UHFFFAOYSA-N 407.900 4.019 0 1 HIAF CN(C)CC(C)(C)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 72181098 AMTIURXTJLPYNF-CQSZACIVSA-N 423.401 4.236 0 1 HIAF CC(C)CN(C)c1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccccc2)n1 82133223 QWXADAIBEVOUSM-UHFFFAOYSA-N 406.505 4.347 0 1 HIAF CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)c(C)c(C)nc12 95586107 GWRUTTKVUAZWJK-UHFFFAOYSA-N 412.509 4.081 0 1 HIAF C[C@@H]1[C@@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C[C@H]2C[C@@H]1C2(C)C 101678186 GQKLSSZFSJGFQZ-DHXZDTOLSA-N 402.922 4.134 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc(-c2cccnc2)c1 169714460 FZIUEUCURKKNHE-IRLDBZIGSA-N 406.482 4.323 0 1 HIAF Cc1ccc(N(C)C(=O)c2cn3c(-c4ccc(C(F)(F)F)cc4)cnc3cn2)nc1 220135755 BHLKJCNHVCUBNR-UHFFFAOYSA-N 411.387 4.395 0 1 HIAF COc1cncc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(F)cc4)ncc23)c1 261185067 XDAFKLOBBHCWPH-GFCCVEGCSA-N 406.421 4.050 0 1 HIAF CCOc1n[nH]c(-c2nc3cc(Br)cc(C)c3[nH]2)c1Br 586979465 NEMZPAPSVOIUPF-UHFFFAOYSA-N 400.074 4.185 0 1 HIAF CC1=C(c2ccc3nc(Cc4sc(-c5ccccc5)nc4C)[nH]c3c2)NNC(=O)C1 587012909 UTBQBUQYIZFHLH-UHFFFAOYSA-N 415.522 4.341 0 1 HIAF CCOC(=O)[C@](C)(OC(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097587 RIGHYBIRKSRAAI-XMMPIXPASA-N 403.434 4.096 0 1 HIAF Nc1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1C(=O)O 587248489 RCIGEHVZTAEKNR-UHFFFAOYSA-N 416.153 4.171 0 1 HIAF O=C(c1ccc(F)c(C(F)(F)F)c1)c1c(CO)oc2cc(Br)cnc12 587277082 YXQLQEDZQKSYFI-UHFFFAOYSA-N 418.140 4.472 0 1 HIAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(Br)s1)[C@@H](C2)C3=O 587450333 JLSYLJQVQGZSFX-BBATYDOGSA-N 423.284 4.027 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1CC 587475197 KBLCONDYZQRMBH-PSLXWICFSA-N 417.502 4.242 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1N1CCOCC1 587556853 KMUIJTICNKWRGO-ZJSXRUAMSA-N 421.424 4.071 0 1 HIAF CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587558556 WZTFPXFXWAJINV-KBHIOQAXSA-N 414.429 4.184 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccccc2F)c1 587566910 BVNNPDCZGKBDQE-NFBKMPQASA-N 402.381 4.420 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc(F)cc2c1=O 587572221 ULZVIYGXZLJBIV-AUSIDOKSSA-N 404.349 4.341 0 1 HIAF O=C(O)[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587606639 DZQFMABDYMRABQ-VEQVNTQVSA-N 402.402 4.211 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccc(F)cc3c2=O)N1 587735917 VSPFTQFDPMOKSS-DYBLOJMWSA-N 406.226 4.457 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c(C)cccc3OC)[nH]c2c1 587785982 FSHWZIONZAABHE-UHFFFAOYSA-N 423.494 4.356 0 1 HIAF COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)NCCc2c1c(C(C)C)nn2C 962918204 NKWLFVGUXGPFGS-DEOSSOPVSA-N 405.542 4.079 0 1 HIAF COc1ccc(OC)c(-c2cc(NC(C)=O)nc(-c3cc(OC)ccc3OC)c2)c1 1772588112 QSPVKMCCJPGXRY-UHFFFAOYSA-N 408.454 4.408 0 1 HIAF Cc1nnc2n1-c1ccc(-c3ccc(=N)[nH]c3)cc1[C@H](Nc1ccc(F)cc1)CC2 1857553790 QARYGONRFYUTRS-HXUWFJFHSA-N 400.461 4.289 0 1 HIAF CS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3nc4ccccc4s3)n2)cc1 1857583328 VUGJTXJFAXFOGN-UHFFFAOYSA-N 415.475 4.116 0 1 HIAF O=S(=O)(c1ccc(Oc2cc(F)cc(Cl)c2)c(Cl)c1CO)C(F)F 1857750068 ZGPRABWLSORYPV-UHFFFAOYSA-N 401.189 4.413 0 1 HIAF CC[C@H](C)C=C(C)C=CC1=CC2=C(Cl)[C@H](O)[C@]3(C)OC(=O)[C@@H](C(C)=O)[C@@H]3C2=CO1 2356444832 KLSDJLUKJAUCQO-VLZRVITLSA-N 418.917 4.337 0 1 HIAF COC[C@H](CC=Cc1ccc(OC)c(OC)c1)[C@H](O)c1ccc(OC)c(OC)c1 2356682114 DYVFUMMQRMNAMH-FDDCHVKYSA-N 402.487 4.121 0 1 HIAF N[C@H](Cc1ccc(Cl)cc1)c1csc(NC(=O)NCCc2ccccc2)n1 61903904 CSRQNWDWKHKLCO-QGZVFWFLSA-N 400.935 4.403 0 3 HIAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F 775223 TVABTDXZBLUYIN-LBPRGKRZSA-N 406.816 4.441 0 1 HIAF C[C@H]1CCC[C@H](NC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)[C@@H]1C 6878131 VIAIBWPJSBWXLM-VBQJREDUSA-N 413.905 4.428 0 1 HIAF COc1ccc2c(c1)c(Cc1nc3c(F)c(F)cc(F)c3s1)cn2CC(=O)O 11536157 JFCAIUYRRZCNPW-UHFFFAOYSA-N 406.385 4.352 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C(C)=O)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26382465 DIISWROLLPLGMW-IWBJTSIOSA-N 416.606 4.251 0 1 HIAF Cc1ccc(S(=O)(=O)n2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 27747810 QSLBDMDVGLCEQP-UHFFFAOYSA-N 424.353 4.356 0 1 HIAF CC[C@@H](O)[C@H](O)n1c(=O)c(-c2ccc(F)cc2)c(-c2ccncc2)c2ccccc21 29039978 HGDZRTCSWAZCQY-OFNKIYASSA-N 404.441 4.131 0 1 HIAF CCOC(=O)[C@@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 71789538 FYHYYQVWPCFAGG-OAQYLSRUSA-N 411.498 4.272 0 1 HIAF Fc1ccccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc21 84602666 ZECJEHQTOHGKFP-UHFFFAOYSA-N 417.488 4.057 0 1 HIAF CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(N1CCCCC1)S2 96938423 YJYYXTABOIIPEB-UWJYYQICSA-N 403.548 4.198 0 1 HIAF CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2c3ccccc3nc-2c1O 101943853 GEFNZOQMAJBGQH-UHFFFAOYSA-N 420.494 4.195 0 1 HIAF CC(=C(C(N)=O)C(N)=O)[C@@H]1C=C(c2cccs2)CC(c2ccc(Cl)cc2)=C1O 102986551 QINYNRKXUCSWJJ-HNNXBMFYSA-N 414.914 4.061 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N(C)C4CCCC4)n3)C2)cc1 169709902 ZSAUHPHFDOBEJA-FDDCHVKYSA-N 422.573 4.315 0 1 HIAF COc1ccc2[nH]nc(C(=O)NCC3CCN(CC[C@H]4CCC[C@H](C)C4)CC3)c2c1 221875450 XOOYTHKXMQQQEA-ZWKOTPCHSA-N 412.578 4.230 0 1 HIAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)cc3O)nc3ccc(O)c1c23 586987750 FELWZCPAPKVYQM-UHFFFAOYSA-N 424.456 4.361 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587151965 JHIYUAZWJHBATK-HUUCEWRRSA-N 405.470 4.191 0 1 HIAF COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587353698 RVKKVYNXOAYQCQ-XUZZJYLKSA-N 422.408 4.298 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccncc1)[C@@H](C2)C3=O 587431730 LWGSOMMTBBHACM-UQBPGWFLSA-N 409.445 4.432 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O 587445507 ZQEDLJLEKHPBQJ-CPJSRVTESA-N 402.446 4.404 0 1 HIAF CC(C)(C)C(=O)Nc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576866 IPGUNDOLONRSBS-KNQAVFIVSA-N 418.449 4.475 0 1 HIAF CCOC(=O)c1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599192 WIQPUUYYAHGGCU-GBXCKJPGSA-N 404.418 4.446 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)c(Br)c2)N1 587675921 BLNCZDDBTQISDE-WJWGPLDTSA-N 416.088 4.075 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2Br)N1 587680357 PNODDUGTDNLJOR-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF CC(C)Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587793295 NIPPUAVAHJBGKT-MPBGBICISA-N 408.311 4.491 0 1 HIAF O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC[C@@H]1c1ccncc1 621477715 IXLIURHWCAZUDQ-LJQANCHMSA-N 418.463 4.466 0 1 HIAF COc1ccccc1[C@]1(C2CCC2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957377 BNOIQFNINPMWKK-KKSFZXQISA-N 407.844 4.269 0 1 HIAF COc1cccc2[nH]nc([C@@H]3NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)c12 962961427 RUGPBIVHPPZBJI-LJQANCHMSA-N 417.431 4.331 0 1 HIAF CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)c2c(F)cccc2C[C@@H]2CCCN21 963113793 ZUIJVVBCEVFVHJ-CPJSRVTESA-N 409.501 4.229 0 1 HIAF CC(C)(CN1CCCC1)[C@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963190460 XTBVYPVWJDPJKD-CVEARBPZSA-N 404.860 4.121 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(Cl)c(O)c(Br)c1 963608388 KXEATGGZVXCTJD-VVVCHXIZSA-N 412.711 4.449 0 1 HIAF O=C(CSc1nccc(Nc2ccc(N3CCOCC3)cc2)n1)c1ccc(F)cc1 1857550671 PSZMYZPRCFMLOG-UHFFFAOYSA-N 424.501 4.171 0 1 HIAF O=c1cc(Cc2cccnc2)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 1857599254 NWUDAASJQOHIKF-UHFFFAOYSA-N 404.779 4.348 0 1 HIAF COc1ccc2c(OCc3nnc4sc(-c5ccc(F)cc5)nn34)ccnc2c1 1857769587 JPGXGHXTVXRGDB-UHFFFAOYSA-N 407.430 4.128 0 1 HIAF CNc1cc(OC)c(C(=O)NC[C@H]2CC[C@H](C)N2Cc2ccccc2)cc1Cl 28238890 GGANYIDTHXJNBU-DOTOQJQBSA-N 401.938 4.173 0 1 HIAF Cc1ccc(-c2nc(CCOc3ccc(C[C@]4(C(=O)O)CCCO4)cn3)c(C)o2)cc1 34717782 FMKXCULQTCLWSI-DEOSSOPVSA-N 422.481 4.151 0 1 HIAF CC(C)CC(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72102239 FBFBOXFZFCJVQX-OAQYLSRUSA-N 420.479 4.212 0 1 HIAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82081109 FWJVIZUFJCWYLF-HXUWFJFHSA-N 400.434 4.009 0 1 HIAF CCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82206396 UKWJWIFRKPZHJA-IBGZPJMESA-N 402.583 4.177 0 1 HIAF O=C1[C@H]2C[C@](O)(CCc3ccccc3)C[C@H]2CN1c1ccc(OC(F)(F)F)cc1 96169530 NUJVKOYKTOZZJL-LRQRDZAKSA-N 405.416 4.322 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2n[nH]nc2[C@H]1c1ccccc1 218476309 IVCDYQCBMVZLKZ-QGZVFWFLSA-N 406.795 4.265 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cnc(Cl)[nH]c-3n2)c1 587048147 GAVVNZATGCWACX-VOTSOKGWSA-N 419.272 4.002 0 1 HIAF CCOC(=O)c1ccc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587112031 GGLUHCKEZFJXAI-FQEVSTJZSA-N 419.403 4.158 0 1 HIAF COc1cc2c(c3oc(=O)c4c(c13)Cc1c-4nc3cccc4c3c1CC4)[C@@H]1C=CO[C@@H]1O2 587215966 QFZGTIKYJPWGCV-WHDAMIPWSA-N 423.424 4.366 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)c(F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587240457 UAYAQMFOXCKYRO-KAJFERSBSA-N 407.461 4.396 0 1 HIAF Cc1cccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587334484 JRWBTBBICWNAIQ-ISKFKSNPSA-N 420.440 4.381 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586142 HLYCZOPWTQLKSL-GKUBODSPSA-N 423.465 4.122 0 1 HIAF C[C@H](O)[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610669 DFFWKKCADSOZOD-VNNHTSALSA-N 402.855 4.345 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1cc2ccccc2o1)C(=O)O 587617914 RDOLKLJQEVQFOY-HYBUGGRVSA-N 416.385 4.166 0 1 HIAF CCOC(=O)c1c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]c2c(C(=O)O)cccc12 587638676 IIDYDMJNVNZIQF-CQSZACIVSA-N 402.447 4.115 0 1 HIAF CCOc1ccc(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587661355 XSOMFMLQKKUXNX-UHFFFAOYSA-N 402.425 4.484 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCN(C)C)cc2)N1 587742494 RTXYHRGLELERBG-SZNDQCEHSA-N 421.354 4.326 0 1 HIAF CCOC(=O)CC[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587771820 DGDRLQHJKARXNC-RNODOKPDSA-N 421.310 4.104 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3cccc(CO)n3)CCC2)N1 587772879 PITGHDXVEHOGBX-ZSEKCTLFSA-N 417.322 4.473 0 1 HIAF CCOc1ccccc1OCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587779629 BPJSPQDPWHHZHU-UHFFFAOYSA-N 405.248 4.090 0 1 HIAF C[C@H](Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)O 587790666 HFXSQPLYBIHANX-LIBAHTEVSA-N 408.267 4.064 0 1 HIAF COC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587811267 WEFWTAXGZBMBTR-PKQAIAMASA-N 418.306 4.101 0 1 HIAF O=C(Cc1cn2cc(C(F)(F)F)ccc2n1)n1nc2cc1Oc1ccc(F)cc1-2 587873414 BABVXHBVPMRCDX-UHFFFAOYSA-N 402.307 4.344 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@@](c3cccc(CN4CCCCC4)c3)(C3CC3)c3cccc1c32 963025593 OQPNZZPOIWMRQO-NFQMXDRXSA-N 415.581 4.379 0 1 HIAF Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCc2ccco2)CC1 4077164 MQCSAHNNHOJRFR-UHFFFAOYSA-N 413.905 4.425 0 3 HIAF CCc1nccn1CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 15072750 IBTPVUGAHSCFGH-FQEVSTJZSA-N 405.546 4.160 0 3 HIAF Fc1ccc2[nH]cc(CC3CCN(CCOc4cccc5c4OCCO5)CC3)c2c1 595482 RBQMHQKLCCUIDH-UHFFFAOYSA-N 410.489 4.412 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215813 FQJHQCITQOZRFI-GUMYABAYSA-N 404.551 4.232 0 1 HIAF O=C(O)c1cn(Cc2ccc(-c3cccc(Cl)c3)cc2)c2c(c1=O)[C@@H](O)CCC2 49116343 WACABJHLYMYADY-FQEVSTJZSA-N 409.869 4.285 0 1 HIAF CCn1c(-c2ccc(F)cc2F)nc(C)c1CC(=O)NCc1ccc(F)c(F)c1F 72109043 TXLMYBCBSWOLLO-UHFFFAOYSA-N 423.385 4.433 0 1 HIAF COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc(OC)c1 72126288 WNKZWZLBYZKRLY-UHFFFAOYSA-N 421.478 4.223 0 1 HIAF Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2o1 72181875 SMTOUMSBNIEJMF-UHFFFAOYSA-N 418.837 4.065 0 1 HIAF Cc1ccc2c(c1)c(S(=O)(=O)c1c(Cl)cccc1Cl)c(C)n2CC(=O)O 73169678 QNJFGASBHPJLDO-UHFFFAOYSA-N 412.294 4.482 0 1 HIAF COCCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccccc1F 82151084 PKNDILXLFUETTQ-UHFFFAOYSA-N 422.504 4.012 0 1 HIAF CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2cc(C)ccc2c1=O 84687227 SIINTWLPFRPWLD-UHFFFAOYSA-N 409.419 4.487 0 1 HIAF CC(=O)Nc1ccc(CN(C(=O)c2oc3ccccc3c2C)C2CCNCC2)cc1 95580097 UBXGBXCKSRGARS-UHFFFAOYSA-N 405.498 4.094 0 1 HIAF COc1nc2ccccc2cc1CN(Cc1ccc(C)cc1)C[C@H](O)CN1CCCC1 96939091 FFSMZNJZOBQPFX-XMMPIXPASA-N 419.569 4.011 0 1 HIAF 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COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccccn4)nc3)c2cc1OC 40873060 AYYOTPCUBCVEES-UHFFFAOYSA-N 416.437 4.016 0 1 HIAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(CCN3CCOCC3)C[C@@H]21 73159717 OQOGMEFNRHFVDB-JTDSTZFVSA-N 421.507 4.117 0 1 HIAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCCCN1CCCCC1 103271048 KGVDHMZNOKEVPA-UHFFFAOYSA-N 409.482 4.429 0 1 HIAF CC(C)Cc1ccc([C@H](C)C(=O)O[C@@]23[C@@H]4[C@H]5C[C@H]6[C@@H]7[C@@H]5[C@@H]2[C@@H]7[C@@]2(OCCCN23)[C@H]64)cc1 253651397 RQXVHLUYOBCSQY-JVPBYPAASA-N 419.565 4.048 0 1 HIAF CCOc1cc2oc(=O)c(-c3nc4cc(O)ccc4[nH]3)cc2cc1Br 587000756 UKGWSLMKEAHYBU-UHFFFAOYSA-N 401.216 4.203 0 1 HIAF CN(C)C(=O)c1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587189758 DVZXKKUEOPXMRG-IBGZPJMESA-N 408.502 4.221 0 1 HIAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587256741 QIFMGEFWYRDEFX-SNVBAGLBSA-N 411.346 4.202 0 1 HIAF COc1cc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1Cl 587377828 ZMQGIJZIKGCNLT-NRFANRHFSA-N 418.877 4.001 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@H]1CC 587475198 KBLCONDYZQRMBH-QKFKETGDSA-N 417.502 4.242 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587489909 WVTKYCLEQHRRSL-CRAIPNDOSA-N 405.491 4.051 0 1 HIAF O=C(O)CSC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611031 ZBZFSHOJNNNXEB-NFBKMPQASA-N 422.458 4.067 0 1 HIAF CC1(C)Cc2sc(N)nc2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587620580 ZSUOUAKDFYQOEC-ZHRRBRCNSA-N 408.479 4.260 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncnc(Cl)c3n2C)N1 587708514 YLEYUJOCVWHULG-ANRSDYALSA-N 409.690 4.147 0 1 HIAF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587805267 FEQGCHPCDAEQKR-XTZNXHDOSA-N 408.267 4.007 0 1 HIAF COc1ccc(OC(C)=O)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587807312 MSIWQDSOMXFZAF-OVWNDWIMSA-N 408.267 4.146 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC3C[C@H]2CC(C(=O)O)(C3)C1 587824388 BLSBQLCMKKYNGD-JPYRYYCLSA-N 408.311 4.229 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](C)C(=O)O)(c2ccccc2)N1 587830641 VSFCNPUTQFVGPT-IZDJOXEWSA-N 406.295 4.477 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=S)N(C)C)c2)N1 587844940 PNGWLIZNLBPZGE-ZMZPIMSZSA-N 423.351 4.437 0 1 HIAF Cc1cccc2c1OC(C(=O)O)=C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587845168 ZEBACJOMVRCZRN-BIBXISHDSA-N 418.262 4.035 0 1 HIAF C[C@H](O)[C@@]1(c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 587848903 PTMFNUSWRTZEQM-GLSBUQGYSA-N 404.732 4.462 0 1 HIAF Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873682 GYJKVHYUPIUHBI-UHFFFAOYSA-N 400.719 4.312 0 1 HIAF CN(C)c1cccc(Cl)c1[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962703959 TXQHWCQKLQBKIC-PBHICJAKSA-N 416.802 4.252 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(COC23CCN(C(=O)OC(C)(C)C)CC3)N1 962949844 RPQFNEHMQIUYRU-FYSMJZIKSA-N 411.546 4.087 0 1 HIAF N=C1CCC(F)(F)[C@](c2cc(NC(=O)c3ccc(F)cn3)ccc2F)(C(F)F)N1 1772580971 YODJQLZHGBACFL-SFHVURJKSA-N 416.325 4.068 0 1 HIAF Cc1cc(OCCCN2CCN(c3ccccc3F)CC2)c2c(C)cc(=O)oc2c1 1857652296 NCDBRVXJUNRBFM-UHFFFAOYSA-N 410.489 4.140 0 1 HIAF COc1ccccc1[C@@]1(O)c2ccc3nc(C)c(OC)c(OC)c3c2[C@H]2CC[C@H]1O2 2356428089 XHNIIQKOPPYGRE-KHCICDEESA-N 407.466 4.039 0 1 HIAF COc1cc(-c2c([C@@H]3O[C@H](OC)[C@@H](C)[C@H]3C)cc(OC)c(OC)c2OC)ccc1O 2356447887 IHPLSJOJWOIKLE-NODARDGRSA-N 418.486 4.410 0 1 HIAF COC(=O)c1ccc([C@H](NC(=O)OCc2ccccc2)/C(F)=C/[C@@H](C)C(=O)O)cc1 13828902 SWESBNPYUJVGLP-XPVJOUGZSA-N 415.417 4.015 0 3 HIAF CCCCN1CC(=O)N2[C@H]3c4cc(C)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]2(C)C1=O 61949403 ZPFZTBFLLLILIW-IQMDFIRISA-N 418.537 4.072 0 3 HIAF CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(-c3cc(F)ccc3F)n2c1 1489204 CXQVBVXEHIFJIG-SFQUDFHCSA-N 404.420 4.039 0 1 HIAF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1OC 2481201 FKPNLCBGUFXEII-UHFFFAOYSA-N 400.862 4.437 0 1 HIAF CCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C 13827512 MEWZJCJSOWUGOM-UHFFFAOYSA-N 407.518 4.227 0 1 HIAF Nc1c(-c2csc(-c3ccncc3)n2)c(=O)[nH]c2ccc(N3CCCCC3)cc12 14974748 ZSDNXKRZKUHCBB-UHFFFAOYSA-N 403.511 4.286 0 1 HIAF CC1([C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H]3C/C(=C\CCCC(=O)O)C[C@H]32)Cc2ccccc2C1 26143467 MQWSTBYQAHHSQY-HWAAPNHUSA-N 410.554 4.297 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2cc(C)cc(C)c2)[C@H]1Oc1ccc(C(=O)O)cc1 27207959 ISRVJLSKSMJVMC-QFIPXVFZSA-N 424.497 4.265 0 1 HIAF CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCc2ccccc2)CC1 28102656 WMVPXYZJDQWKGQ-UHFFFAOYSA-N 408.542 4.070 0 1 HIAF COc1ccc(OC(F)(F)F)cc1CN[C@H]1CC[C@@H]2CC[C@@]1(c1ccccc1)N2 28568253 GXIFPPFQXPIEKY-QMMLZNLJSA-N 406.448 4.493 0 1 HIAF CCN(CC)c1ncnc2sc(C(=O)Nc3cc(OC)ccc3OC)c(C)c12 34864937 ROGHTPXLJVTFJK-UHFFFAOYSA-N 400.504 4.115 0 1 HIAF COc1cccc(-c2nnc(N3CCN(C(=O)c4ccccc4)CC3)c3ccccc23)c1 49089407 KFQXLGDDSNDVJS-UHFFFAOYSA-N 424.504 4.268 0 1 HIAF Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1Nc1nccc(-c2cccnc2)n1 71318027 JJGWNUFHPXNGRL-UHFFFAOYSA-N 410.481 4.302 0 1 HIAF C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 73163536 KCGXXRBMPRXFSA-UMPJEAMMSA-N 406.448 4.348 0 1 HIAF CCOC(=O)C1=C(N)Sc2nc(S)[nH]c(=S)c2[C@@H]1c1ccc(Cl)cc1 73197538 KUVFNJFRNRJPAA-SECBINFHSA-N 411.961 4.052 0 1 HIAF COc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5cccc(OC)c5)C[C@@H]3N4)cc2)cc1 100097847 PPYWADWAHIFHSR-GPOLMCQNSA-N 400.522 4.311 0 1 HIAF O=C(O)c1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1 103274141 MFQSSISUFCNPAE-UHFFFAOYSA-N 408.417 4.141 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4C(=O)O[C@H](O)[C@@H]4[C@@]3(C)[C@@H](O)C[C@H]21 136811926 ATVQOEWPZTUPDT-BGYAJGAUSA-N 402.575 4.444 0 1 HIAF COc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@H]3c3ccccc3)n2)ccc1F 142164422 FFEVONWYRPIDDV-KSSFIOAISA-N 408.433 4.495 0 1 HIAF COC(=O)CNCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145453395 PQGVOHKUXWOKLZ-IBGZPJMESA-N 410.495 4.264 0 1 HIAF COc1ccc(OC(F)(F)F)cc1CN[C@H]1CC[C@H]2CC[C@@]1(c1ccccc1)N2 169353400 GXIFPPFQXPIEKY-YYWHXJBOSA-N 406.448 4.493 0 1 HIAF CC(C)NC[C@H](O)COc1ccc(CC(=O)O[C@H]2C[C@@H](C(C)C)C[C@@H](C)[C@H]2C)cc1 253636278 XDTTWGPDHGKGPK-OBGQLAEUSA-N 419.606 4.217 0 1 HIAF S=C1N[C@@H]2/C(=C/c3ccccc3Cl)CNC[C@H]2[C@H](c2ccccc2Cl)N1 261174032 ULTQRBSNPGXDHC-CIGAWNMISA-N 404.366 4.184 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(C(=O)O)cc3[nH]2)cc1 586948529 JUCBDKCDCXXWIJ-UHFFFAOYSA-N 407.451 4.037 0 1 HIAF O=C1c2ccccc2-c2cc(Cn3cc(C(F)(F)F)ccc3=O)nc3ccc(O)c1c23 586985083 AFMIHKHIAAHNTB-UHFFFAOYSA-N 422.362 4.381 0 1 HIAF CCOC(=O)[C@H](F)[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586987161 UCBHECVQILAERN-RCDICMHDSA-N 405.425 4.473 0 1 HIAF COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)o1 587357621 UUKZNYUTESHUCZ-OFNKIYASSA-N 410.397 4.494 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@H]1CCCO1)O2 587370058 AVAPEZZVBMBLNS-QUCCMNQESA-N 402.288 4.379 0 1 HIAF C[C@]1(c2ccc(NC(N)=S)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587373777 IUKFVRBVLIFIGC-NZQKXSOJSA-N 422.481 4.461 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(O)cc2OC[C@H]1c1ccc(O)cc1 587413955 UNRZCUWDKXLGDE-CYFREDJKSA-N 403.434 4.025 0 1 HIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCOCC1 587518750 PGOGRKFEAIVSAU-AREMUKBSSA-N 421.537 4.287 0 1 HIAF CC1=C[C@@]2(CC(=O)N1Cc1ccco1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587579843 AAYQFIBQTJROGM-URXFXBBRSA-N 417.417 4.022 0 1 HIAF CC1(C)C(=O)Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587597460 UPHIVSSFEKUXHN-NLFFAJNJSA-N 415.445 4.499 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NCc1ccccc1 587658431 QODYLZAFTGETTH-UHFFFAOYSA-N 407.445 4.265 0 1 HIAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccccc1 587758286 IJJKRSVQIVMLLO-YUNKPMOVSA-N 415.310 4.275 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C2\C(=O)N(C)c3ccccc32)N1 587772833 XFSNTULQFWTFJZ-SMSIKOTCSA-N 415.306 4.398 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2c[nH]c3ccccc23)(C(=O)O)N1 587808363 YYSNLGIKFIIGCR-YBTHPKLGSA-N 417.278 4.126 0 1 HIAF O=C(c1ccc(I)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873689 KLLWWBYSCGLRST-UHFFFAOYSA-N 406.154 4.088 0 1 HIAF O=C(O)Cc1ccc(Cc2nc3cc(Br)c(Br)cc3[nH]2)cc1 587961078 IIQIWFKNSVCLTH-UHFFFAOYSA-N 424.092 4.306 0 1 HIAF O=C(Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O)NCc1ccccc1 653713266 SBUPRSNOKJTUNX-UHFFFAOYSA-N 416.308 4.084 0 1 HIAF CC(C)(C)OC(=O)N1CCC(=O)[C@H]([C@@H]2NCCc3cc(-c4ccccc4)ccc32)C1 962659272 BPLWWZDUBCYVQX-FYYLOGMGSA-N 406.526 4.367 0 1 HIAF C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 1772581613 WNUWMIRQRLECKA-HNNXBMFYSA-N 422.435 4.014 0 1 HIAF CC(=O)O[C@@H]1CC=C(C)[C@@H]2Cc3c(C)coc3C=C(C)CC(=O)[C@H](OC(C)=O)[C@@]21C 2356649535 PJVNNUMZLXDJCQ-UQAQOTMJSA-N 414.498 4.343 0 1 HIAF COC(=O)C1CCN(C(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)CC1 12744113 LLWFGFKXLDGBLQ-UHFFFAOYSA-N 412.873 4.097 0 3 HIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215857 QZJCVURTHVIUMR-ILWGZMRPSA-N 414.571 4.482 0 1 HIAF NC(=O)N(O)Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 8536473 MVBDNKVDQQBUSQ-UHFFFAOYSA-N 403.417 4.215 0 1 HIAF CCC(=O)Oc1c2c(c(COC(C)=O)c3c(COC(C)=O)coc13)[C@H](C)CCC2 13300497 ICTKNIHRITXMBQ-GFCCVEGCSA-N 402.443 4.314 0 1 HIAF biogenic CCOC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C 13440892 FRGNNZYHLRTEQP-MLNNCEHLSA-N 415.480 4.485 0 1 HIAF Cc1cccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c12 13559649 FHHKQICOQJWLCF-UHFFFAOYSA-N 407.468 4.062 0 1 HIAF Cc1cccc(Cl)c1Nc1nc2cnc(N3C[C@H](C)N[C@H](C)C3)cc2n2cncc12 13582054 MKSCFUMSRMTDBL-GASCZTMLSA-N 421.936 4.170 0 1 HIAF COCO[C@@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 13643537 ASVJPCQXPWNHDI-FNAHDJPLSA-N 403.469 4.295 0 1 HIAF Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1-c1ccccc1CC2 26188685 PAZWLIPSGXAYNX-UHFFFAOYSA-N 413.518 4.154 0 1 HIAF O=C(O)[C@H]1Cc2ccccc2C[C@@H]1S(=O)(=O)c1ccc(CCc2ccccc2)cc1 28137194 SCMUFXMYUJBJMV-ZEQRLZLVSA-N 420.530 4.114 0 1 HIAF CSc1ccc(C2=C(c3ccc(OC[C@H]4CO4)cc3)C(=O)N3CCC[C@@H]3C2)cc1 29406378 RKNQYZUPERHOKK-QUCCMNQESA-N 407.535 4.492 0 1 HIAF CCO[C@@H](CNCc1ccc(Cl)c(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1 40897470 KEGDKEUNEDECPK-HNNXBMFYSA-N 420.340 4.442 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccccc1C 203894884 RGBXHKPJYJULKQ-FQEVSTJZSA-N 404.466 4.320 0 1 HIAF Cc1cc(Nc2nccc(-c3cn(C(C)C)cn3)n2)cc2cc(C(=O)N(C)C)[nH]c12 205650990 ZGFYZYBHTUJVBM-UHFFFAOYSA-N 403.490 4.156 0 1 HIAF Cc1cc(OCCCN2C[C@@H]3CCN[C@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 261103263 GWXYGVYIVWODLJ-JTSKRJEESA-N 408.521 4.048 0 1 HIAF CC1=C[C@H]2OC(=O)[C@@H](CN3CCN(Cc4ccccc4)CC3)[C@@H]2CCC(C)=CCC1 299810251 OQBCSYQAFVLXSV-CCDWMCETSA-N 408.586 4.429 0 1 HIAF Cc1ccc([C@@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)cc1C 299831071 IUQPRHFUTQDNBT-OAQYLSRUSA-N 409.530 4.102 0 1 HIAF CCc1cc(O)nc(SCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)n1 586968379 QYTOUBOWEOZOLO-UHFFFAOYSA-N 423.336 4.463 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(Cl)cnc(Cl)c4[nH]3)cc12 587037168 FGXCCQLJIQXOHE-SSDOTTSWSA-N 409.302 4.012 0 1 HIAF C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1-c1ccccc1C3=O 587102981 CBAATIQSQYEYOJ-RPGWCHCHSA-N 410.473 4.436 0 1 HIAF O=C1C[C@@H](c2nc3ccc(Br)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150841 UOYHLOGYFAOYCZ-LLVKDONJSA-N 406.230 4.120 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Oc2ccccc2)=COc2cc(O)ccc21 587406643 CYEDTQIKQMKEQL-XMMPIXPASA-N 401.418 4.456 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(CCNC(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O 587429202 OYIZNUDEONGPIH-PGRDOPGGSA-N 409.482 4.251 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1I)CC2=O 587472009 OMCQBSJYGAFWPO-QGZVFWFLSA-N 424.234 4.361 0 1 HIAF CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584158 WWCJIYQCKBSAOH-SFHVURJKSA-N 411.454 4.124 0 1 HIAF COc1nc(N2CCCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584753 AVSRUFWAAPIJRP-REWPJTCUSA-N 418.449 4.099 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Br)s1 587615043 VDTNAJVGFHXRJZ-XJKSGUPXSA-N 404.241 4.314 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cnccn3)s2)N1 587854962 SQIPTLWXABDXCD-FVMDXXJSSA-N 405.296 4.125 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](CC)n1cc(Br)cn1 587869213 CPCPVEKYZLQRSP-MRXNPFEDSA-N 421.270 4.338 0 1 HIAF CC(C)C(=O)[C@H]1C(=O)c2ccccc2[C@]12NC1(CC1)Cc1ccc(Br)cc12 961614274 KEJQOFWAZONQIV-WMZHIEFXSA-N 424.338 4.409 0 1 HIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1c(I)ccnc1F 963094484 MGRNJLNTRLHBRU-MLGOLLRUSA-N 412.221 4.074 0 1 HIAF COc1cc2c(cc1OC)[C@](COC=C(F)F)(C(C)(C)C)NCC21CCOCC1 963194028 WKNRROVUZWUBIC-JOCHJYFZSA-N 411.489 4.351 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@H]2[C@H]1CCCN1C(=O)OCc1ccccc1 963257595 LEFBRBLTCQQVBO-NQIIRXRSSA-N 400.906 4.337 0 1 HIAF Cc1nn2c(O)cc(C3(C)CCN(C(=O)C(C)(C)C)CC3)nc2c1-c1ccc(F)cc1 1772590965 ZPFTVIYEDPBSJY-UHFFFAOYSA-N 424.520 4.476 0 1 HIAF CCOc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1 1857610365 VQQSLAQVXGPZAN-UHFFFAOYSA-N 418.419 4.167 0 1 HIAF O=C(/C(=C/c1cccc(Cl)c1)c1ccccc1)N1CCN(c2ncccn2)CC1 1857755307 IWMSAPQAQWVIOX-HEHNFIMWSA-N 404.901 4.019 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl 1857761006 CZLRFSSLMMEEPK-INIZCTEOSA-N 405.882 4.350 0 1 HIAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@H]1[C@]3(C)CC[C@H]2OC(C)(C)OC[C@@]12C 2356326326 WTLPSBZUQMYRGQ-AHHMUEFHSA-N 420.590 4.455 0 1 HIAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NCCCN1CCCC1=O 2483535 UNWRMTUTBSKCQR-UHFFFAOYSA-N 421.900 4.174 0 1 HIAF 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]3C[C@H](O)[C@@]21C 5842736 MDLXDLFCBWIBEG-VAYUFCLWSA-N 416.650 4.395 0 1 HIAF O=C1NC[C@H](c2c[nH]c3ccccc23)N=C1c1c[nH]c2cc(Br)ccc12 15266943 YWUKMXVWWWYQPX-GOSISDBHSA-N 407.271 4.072 0 1 HIAF biogenic COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C)cc2)CCC[C@@H]1CN(C)C 28106363 BRGHAIWCFQUAFH-QGZVFWFLSA-N 412.555 4.177 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3CCC(=O)O)CCCC2)cc1 28129598 DXPQGNVINUSJFY-UHFFFAOYSA-N 412.511 4.104 0 1 HIAF COc1ccc(CC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)cc1 29128276 SFYBQIGNEKPAAC-UHFFFAOYSA-N 417.469 4.037 0 1 HIAF O=C1N(CCN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)CCN1c1cccc(Cl)c1 43123565 IMFBORACXDJQCD-GCJKJVERSA-N 409.961 4.461 0 1 HIAF O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(-n2ccnc2)c1 45370954 FJEJUPFLERTFAG-UHFFFAOYSA-N 411.421 4.087 0 1 HIAF COc1cc2nc(NCCCn3ccnc3)nc(NCC3CCCCC3)c2cc1OC 82124975 RIKHFVLHNUNJRQ-UHFFFAOYSA-N 424.549 4.338 0 1 HIAF Cc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2C[C@@H]2CCCO2)o1 82180304 UAIAXLATWHOWJW-SFHVURJKSA-N 403.486 4.494 0 1 HIAF COCc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12 95594071 ZYXHCWAYPIYTQW-UHFFFAOYSA-N 403.482 4.163 0 1 HIAF COc1cccc2c(C(=O)c3cccc4ccccc34)cn(CCN3CCOCC3)c12 96906002 JBUVJMMEQOHCHV-UHFFFAOYSA-N 414.505 4.366 0 1 HIAF COC(=O)[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3cccnc31)C2)c1ccccc1 103259451 MPNHDCJDAQDVGE-CBPXPLCBSA-N 418.541 4.255 0 1 HIAF CC(C)(C)OC(=O)N1CCC(CCCOc2ccc(S(C)(=O)=O)c(F)c2)CC1 116563069 HQDHGXPLARSDSG-UHFFFAOYSA-N 415.527 4.035 0 1 HIAF Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1 145210294 ROSWIQHOISBZCD-UHFFFAOYSA-N 422.427 4.347 0 1 HIAF O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 147903793 DGVPWHORJWLKNC-WOJBJXKFSA-N 404.901 4.005 0 1 HIAF O=C(Cc1cccc(OCCN2CCCCC2)c1)Nc1nc(-c2ccncc2)cs1 202490282 ZPMJSCUYKDXFKU-UHFFFAOYSA-N 422.554 4.251 0 1 HIAF COc1ccc2c(c1O)-c1cc(ccc1O)/C=C\C(=O)O[C@H]1C[C@@H]3CCCCN3[C@H]2C1 238749882 WBNJBVAHRALIOS-NVEYBWRZSA-N 421.493 4.401 0 1 HIAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@H]21 253678802 QIJAKJCZCKPPNN-IGKNDFSCSA-N 417.962 4.011 0 1 HIAF Fc1c(Cl)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1F 587113976 YCRAIIZUBGTJHZ-UHFFFAOYSA-N 414.725 4.215 0 1 HIAF CCOc1cc(/C=C/c2nc3ccc(C(=O)N(C)C)cc3[nH]2)ccc1OC(F)F 587131230 XNRATHWKIRNIHI-UXBLZVDNSA-N 401.413 4.435 0 1 HIAF O=C(O)[C@@H]1C[C@H]2C=CC[C@@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359461 YQZLKTKHWYCFGC-LEDVJNFKSA-N 408.425 4.316 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccccc1OCC(=O)N(C)C)CC2=O 587468141 ICAPJHCRZVMSON-XMMPIXPASA-N 411.498 4.082 0 1 HIAF Nc1ncc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545155 GTUKOFSICJKIET-CRAIPNDOSA-N 402.328 4.091 0 1 HIAF O=C(O)c1ccc2c(c1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611319 SBVQBGNQSQBTOR-YKSBVNFPSA-N 402.402 4.284 0 1 HIAF CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccccc1Br 587636887 OCTQSTZLHMORBR-UHFFFAOYSA-N 416.227 4.036 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccncc2)N1 587763284 IYICLOOXGJXIIE-JEOXALJRSA-N 401.283 4.007 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587796755 VCUBIJHLKZRSHC-UFYHVXEKSA-N 422.294 4.152 0 1 HIAF COc1ccc2[nH]c(O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802333 LGULKUCPDZWGSE-NIVTXAMTSA-N 405.267 4.407 0 1 HIAF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)O 587802676 TUAWSCIZNUQVIA-MLCYQJTMSA-N 408.267 4.309 0 1 HIAF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 587804522 RMOFANZFBXYPBS-SBKAZYGRSA-N 417.278 4.240 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](CC(=O)O)c3ccccc32)N1 587825455 DKOSLLPQRRTHQF-YZRASEIHSA-N 404.279 4.328 0 1 HIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587961659 GLAOSCQBXRAFIX-CHWSQXEVSA-N 417.918 4.175 0 1 HIAF O=C(Cn1cccc(NCc2cccs2)c1=O)NCc1ccc(Cl)c(Cl)c1 653710268 LGWDTSRXGNZMEZ-UHFFFAOYSA-N 422.337 4.145 0 1 HIAF Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)Nc3ccccc3)c(=O)oc12 653711344 BDTSUMUSOMFAJK-UHFFFAOYSA-N 407.470 4.218 0 1 HIAF CCOC(=O)CC[C@@]1(c2ccsc2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962634402 UCPQHPHEODQKLN-OYHNWAKOSA-N 403.544 4.229 0 1 HIAF COc1ccc([C@@]2(c3c(N)sc4c3CCC4)NCCc3c2c(C(C)C)nn3C)cc1 962919605 LKZBAIQLXFRGIF-DEOSSOPVSA-N 422.598 4.122 0 1 HIAF Cc1cccc([C@@]2(c3cccc(C)n3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963232545 OJSOBAXDFJKHJI-ZEQKJWHPSA-N 409.489 4.137 0 1 HIAF NC(=O)c1ccc(-c2ccc(-c3cc(NCc4cccnc4)n4nccc4n3)cc2)cc1 1772616992 SEVRMRFUNSWDSQ-UHFFFAOYSA-N 420.476 4.169 0 1 HIAF Cc1c[nH]nc1-c1ccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)Nc2cn(C)nc2C)cc1 1857545595 IGJJDKBGIMYHRI-RTBURBONSA-N 405.502 4.055 0 1 HIAF COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Br)cc3)C[C@@H]2C)cc1 61923298 QKJICQXHWUJCOQ-SCLBCKFNSA-N 417.303 4.085 0 3 HIAF CC(C)c1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 263590325 NWNPTAOXXNVKOO-YJBOKZPZSA-N 422.909 4.026 0 3 HIAF CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(-c3ccc(F)c(F)c3F)n2c1 1489205 PUFFHZMYSIAGEX-LFIBNONCSA-N 422.410 4.179 0 1 HIAF C=CCN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2118371 OMCAHGFOGWXCSS-MZNJEOGPSA-N 419.912 4.039 0 1 HIAF biogenic O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1 13611804 TYYXFZFUUWYFQO-UHFFFAOYSA-N 422.506 4.150 0 1 HIAF O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1ccc(C(F)(F)F)cc1 45347943 PFLIRHXUMIYWRK-HNNXBMFYSA-N 423.460 4.282 0 1 HIAF COc1cc(C(=O)c2csc(-c3ccc(CN(C)C)cc3)n2)cc(OC)c1OC 72105035 XELRLFXVPVDZJC-UHFFFAOYSA-N 412.511 4.129 0 1 HIAF CCCCOc1ccc2cc(S(=O)(=O)Nc3ccc(CC(=O)O)cc3)ccc2c1 72113163 JKCQWKMKQCHWNO-UHFFFAOYSA-N 413.495 4.447 0 1 HIAF CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)NCC2CCCCC2)cs1 82070581 RBKIFFXWSBMSCS-OAHLLOKOSA-N 415.559 4.024 0 1 HIAF CC(C)c1cccc(Nc2nnc([C@@H](O)c3ccccc3CN3CCOCC3)s2)c1 82084080 UKCLAXNAVQBUEY-NRFANRHFSA-N 424.570 4.319 0 1 HIAF COc1ccc(CCNc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)cc1 82133489 NGRVENSWBQOIBL-UHFFFAOYSA-N 416.525 4.433 0 1 HIAF Fc1cccnc1CN1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1 84602662 XKWUOIWEHZPVIB-UHFFFAOYSA-N 417.488 4.057 0 1 HIAF Cc1ccnc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)c1 84614847 INMXDYHKDXGDPC-UHFFFAOYSA-N 413.525 4.226 0 1 HIAF COc1ccc2nc3c(cc2c1OCCN1CCCC1)CCc1cc2c(cc1-3)OCO2 84710336 LZJYDANUYDHGRE-UHFFFAOYSA-N 418.493 4.212 0 1 HIAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(OC(F)(F)F)cc2)C1=S 95872347 MLSJXXWIENNMAT-UHFFFAOYSA-N 416.421 4.378 0 1 HIAF N=c1oc2ccccc2cc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 103281039 PTQPESIMYRLZIE-UHFFFAOYSA-N 415.430 4.394 0 1 HIAF O=c1nc(CCCCN2CCN(c3ccccc3)CC2)[nH]c2c1sc1ccccc12 144484761 FRXYUSBARUFRNO-UHFFFAOYSA-N 418.566 4.283 0 1 HIAF Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)CCCC4)cc2)cc1C 169718845 ALDOQVWIKCXOPX-UHFFFAOYSA-N 419.477 4.424 0 1 HIAF Cc1nnc2sc(C(=O)NCc3ccc(-c4ccnc(F)c4)cc3)c(N)c2c1C 221842354 MDRVWIWCHFAHMR-UHFFFAOYSA-N 407.474 4.021 0 1 HIAF O=C(Nc1ccc(OCCN2CCOCC2)cc1)c1cccc(-c2cccc(O)c2)c1 299858060 PXWNCEZFXQJJAP-UHFFFAOYSA-N 418.493 4.023 0 1 HIAF CN1CCN(Nc2nc3cc(Nc4ccnc5cc(Cl)ccc45)ccc3o2)CC1 474603970 DGMBOZGQDZJQJV-UHFFFAOYSA-N 408.893 4.347 0 1 HIAF O=C(O)c1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586966386 LUULSCSCQXTXIR-UHFFFAOYSA-N 405.483 4.071 0 1 HIAF CCCC(Br)(CCC)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586971304 QULOAEORXNVZBS-UHFFFAOYSA-N 402.358 4.004 0 1 HIAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1 587085095 NYZQFBXOXQLJDH-UHFFFAOYSA-N 420.281 4.128 0 1 HIAF CCOc1ccccc1[C@](N)(c1nc2c(Cl)c(Cl)cnc2[nH]1)C(F)(F)F 587093587 VIUZEYCGHLVCKC-HNNXBMFYSA-N 405.207 4.428 0 1 HIAF CCOC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587173455 WCZWTKSACFINTE-UHFFFAOYSA-N 409.392 4.335 0 1 HIAF Cc1cc(C)c2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352798 XSVQQTQWZHBYMY-QPPBQGQZSA-N 403.409 4.355 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(F)cc2)c1 587569723 JADIHOZPPZYUHO-OFNKIYASSA-N 402.381 4.420 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(Br)cs1 587615659 XJWALAYVIQCLHS-XJKSGUPXSA-N 404.241 4.314 0 1 HIAF C[C@H](Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)O 587792136 LKJRAFLAHZUIFO-DDBGAENHSA-N 408.267 4.064 0 1 HIAF COC(=O)c1cc(OC)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807213 KDJFFTMTMSDONX-MLCYQJTMSA-N 408.267 4.007 0 1 HIAF COc1cc(OC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587807810 NPQXYBLAZVDWJR-APBUJDDRSA-N 410.283 4.238 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587825711 DVTFMMUTAKBDHI-ZWDZNKSQSA-N 408.311 4.229 0 1 HIAF COCCc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587853351 QFKZXECZZRWQOK-MLCYQJTMSA-N 413.356 4.340 0 1 HIAF CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876487 PKFMPNYDEOYRTB-ZDUSSCGKSA-N 407.467 4.082 0 1 HIAF O=C(O)CCc1ccc(-c2ccccc2)n1-c1cc(C(=O)O)ncc1Br 587940006 GYJHCKCHDHZQOY-UHFFFAOYSA-N 415.243 4.017 0 1 HIAF CCOc1cc(C(C)=O)c(OCC)n1-c1cc2cnccc2c(Br)n1 587940700 KDRUMBGZHGKNRT-UHFFFAOYSA-N 404.264 4.183 0 1 HIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)c(C)nc4[nH]1)(C3)C2 587951431 ZWLRLPMIEZUZTN-NFAYLAGKSA-N 404.308 4.182 0 1 HIAF CC(C)(C)c1cc(SCC(=O)Nc2ccc(C(=O)O)cc2)nc(-c2ccccn2)n1 957853719 ICGYZBXTQRAZOL-UHFFFAOYSA-N 422.510 4.265 0 1 HIAF Cc1ccc(C[C@]2(c3ccc(C)cc3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963488844 GAKQZBPGGJMKSD-BKMJKUGQSA-N 401.506 4.403 0 1 HIAF CCc1nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cn2c1N(C)CCC(C)C 61906087 GVJUVFXZPOPSTR-UHFFFAOYSA-N 422.529 4.038 0 3 HIAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCC(C)(C)CO 4216587 AQOPPAKGGUJWQL-RTWAWAEBSA-N 404.551 4.234 0 1 HIAF COc1ccc2cc3c(NC(=O)Cc4cccc(C(F)(F)F)c4)n[nH]c3nc2c1 4950553 HHOWWRUVOMJIRE-UHFFFAOYSA-N 400.360 4.320 0 1 HIAF CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2cccc(C(N)=O)c2C1 6745520 FTFDKAXJKYPQQO-SFHVURJKSA-N 409.505 4.054 0 1 HIAF in-vitro Cc1c(S(=O)(=O)c2cccc(Cl)c2)nnn1-c1cccc(C(F)(F)F)c1 8599380 VCIIKTHQJWPGEV-UHFFFAOYSA-N 401.797 4.081 0 1 HIAF CN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(OCCNc2ccncc2)c1 13494021 PAPBSSCNXOKSCC-UHFFFAOYSA-N 417.918 4.051 0 1 HIAF CN(CCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1noc2ccccc12 13737885 FIVMAKXHQYXYSA-UHFFFAOYSA-N 422.460 4.060 0 1 HIAF CC(C)COC(=O)n1c2cc(Cl)ccc2c2oc(C(=O)N3CCOCC3)cc21 26384441 SUFQYQUYBFFATG-UHFFFAOYSA-N 404.850 4.154 0 1 HIAF CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccsc2)n2c1CCC2 27523240 KBOBRLQNIXWVFA-UHFFFAOYSA-N 419.547 4.432 0 1 HIAF CCOc1cc(CC(=O)N[C@@H](C)c2ccccc2N2CCCCC2)ccc1C(=O)O 27563342 VKVLNEJLRYKOGS-KRWDZBQOSA-N 410.514 4.194 0 1 HIAF CC(=O)Nc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1 73294324 JLZWCVOAWTVCQB-UHFFFAOYSA-N 419.529 4.303 0 1 HIAF COc1ccc(-c2nc3c(NCC(C)C)ncnc3n2CC[C@@H]2CCCN2C)cc1 82177795 WULDEQIROPDOQU-SFHVURJKSA-N 408.550 4.054 0 1 HIAF OC[C@@H]1[C@H](c2ccccc2)C2(CN(Cc3ccccc3F)C2)N1Cc1ccccc1F 95664979 JPUOYDWMQHLZGG-RPBOFIJWSA-N 420.503 4.180 0 1 HIAF Cc1ccc2c(ccn2S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c1 100632610 HYOHFZVQACJCLG-LPHOPBHVSA-N 405.523 4.028 0 1 HIAF COC1CCC2(CC1)Cc1ccc(-c3cc(C)cc(C)c3)cc1[C@@]21N=C(N)N(C)O1 140492901 FYALOILYRKEBCX-MTQWGCILSA-N 405.542 4.446 0 1 HIAF C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCN(Cc4ccccc4)CC3)[C@@H]2CC/C(C)=C/CC1 169366089 OQBCSYQAFVLXSV-YBHBEZSPSA-N 408.586 4.429 0 1 HIAF O[C@H]1CC[C@H](Nc2nccc(-c3cnc4c(OCc5ccccc5)cccn34)n2)CC1 261108246 HSKWNXWRIGSISU-WGSAOQKQSA-N 415.497 4.086 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)ccnc2[nH]1 586934861 FJFAXQCQRNOMPJ-AWEZNQCLSA-N 424.979 4.001 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)C[C@H]2CCCC[C@@H]21 587024946 CXZYWWWORQVKBJ-VMDGZTHMSA-N 421.526 4.281 0 1 HIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587068715 BRPRAKOFCYVMIP-VIFPVBQESA-N 400.107 4.312 0 1 HIAF C[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128471 MPTLIZHBFJWFKK-BYPYZUCNSA-N 402.739 4.479 0 1 HIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(CCO)cc3[nH]2)c1 587147475 QATSUJOJJOFCSL-UHFFFAOYSA-N 406.413 4.278 0 1 HIAF COc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1OC 587198047 FOTRPPSEFGNZIE-UHFFFAOYSA-N 402.454 4.106 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(N)sc3c1CCOC3)O2 587415818 YJXNBLRCZZELFL-QHCPKHFHSA-N 406.507 4.203 0 1 HIAF O=C1C[C@H](c2c(I)ccnc2F)Oc2c1ccc1c2CCCC1 587507796 SKLDDNABDJQNIW-OAHLLOKOSA-N 423.225 4.411 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)C1CCNCC1 587569289 HIUDLALBNPCAMR-WIOPSUGQSA-N 419.452 4.388 0 1 HIAF O=C(c1cc(-c2cccs2)[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662140 VETHIKDSNTZWLG-UHFFFAOYSA-N 416.437 4.343 0 1 HIAF COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O 587808080 OPBUNYKYTRCLNS-YBTHPKLGSA-N 422.294 4.320 0 1 HIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 963220872 IUJCLBZBMUCOHR-MJGOQNOKSA-N 422.353 4.275 0 1 HIAF COc1cccc2c1CCN(Cc1ccc([C@H](C)NC(=O)c3cncs3)cc1)C2 1772587548 XIOSQPZGKNLCFC-INIZCTEOSA-N 407.539 4.201 0 1 HIAF CN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4OC(F)(F)F)ccc1c23 1857597433 VWSVOEGJTTYWAC-UHFFFAOYSA-N 422.384 4.129 0 1 HIAF COc1cc(-c2c([C@@H]3O[C@H](OC)[C@H](C)[C@H]3C)cc(OC)c(OC)c2OC)ccc1O 2356447888 IHPLSJOJWOIKLE-OQHSJCBVSA-N 418.486 4.410 0 1 HIAF COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 12479980 USFBQCRAPLMPCD-PKOBYXMFSA-N 408.498 4.448 0 3 HIAF C[C@]1(C(=O)Nc2ccccc2Br)CCN1C(=O)Cc1ccccc1Cl 61898622 URDXGHQMXLJEKJ-LJQANCHMSA-N 421.722 4.275 0 3 HIAF COc1ccc(C2=CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1 3987189 DAGCZIQXMUAAMA-UHFFFAOYSA-N 410.489 4.129 0 1 HIAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 4050848 HYVOCIKAAIMKKV-RVTRJAIUSA-N 408.542 4.425 0 1 HIAF COc1ccc(OC)c(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)c1 9673246 KPFHONCJPCQEIY-RTWAWAEBSA-N 422.506 4.315 0 1 HIAF COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc4cc(F)ccc4n3)C2)cc1OC 12432206 IIIKFWNUJUYXDA-GOSISDBHSA-N 408.473 4.486 0 1 HIAF O=c1cc(Br)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1 14968515 OVFZJKAKVGZHJD-UHFFFAOYSA-N 403.120 4.222 0 1 HIAF CS(=O)(=O)c1ccc(/C(=C\C2CCCC2)C(=O)Nc2nccs2)cc1Cl 34296255 LQQZQDWVRVMLMR-GXDHUFHOSA-N 410.948 4.412 0 1 HIAF COc1cccc(Nc2nccc(NC[C@@H](O)c3ccc(C(F)(F)F)cc3)n2)c1 45227564 SMQOINVXZYUFSO-QGZVFWFLSA-N 404.392 4.393 0 1 HIAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C/c2cnc3ccccc3c2)C(=O)O1 45498278 NZYNTDGHNYYHKJ-WCNLKWBDSA-N 411.498 4.056 0 1 HIAF CCOC(=O)C1=C(N)Sc2nc(S)[nH]c(=S)c2[C@H]1c1ccc(Cl)cc1 73197539 KUVFNJFRNRJPAA-VIFPVBQESA-N 411.961 4.052 0 1 HIAF O=C(c1ccc(-c2ccc3nnc(-c4cccc(Cl)c4)n3c2)cc1)N1CCOCC1 82082740 COGHEQOUOFTRGA-UHFFFAOYSA-N 418.884 4.189 0 1 HIAF COc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccco3)n2)cc1 82142189 KLVZXKKJBWBQPR-UHFFFAOYSA-N 408.502 4.128 0 1 HIAF O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)c1ccccc1F 84587944 GTHLYJPWZLZDPE-UHFFFAOYSA-N 423.492 4.416 0 1 HIAF COc1cccc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccc(OC)c3)cc2)c1 100101337 XYSVWDQIRSLYPY-GPOLMCQNSA-N 400.522 4.311 0 1 HIAF COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OCC[18F])cc2C)c1=O 103021893 UDVJEHYWSILYSV-DXVZFBLCSA-N 408.892 4.203 0 1 HIAF COc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3ccnc3)c1)=N2 103297718 YSKYRPZOEKFCGP-UHFFFAOYSA-N 400.360 4.363 0 1 HIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(Br)cc2)n1 142053741 NKJZELHWGLSGFP-IUODEOHRSA-N 405.296 4.393 0 1 HIAF CCCCn1ncc2c(-c3ccc(C)cn3)cc(C(=O)NCc3cnc(C)cn3)cc21 142226038 IDGSUOPUMKFOSU-UHFFFAOYSA-N 414.513 4.235 0 1 HIAF CC(C)(C)C(=O)N1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 144750380 LDPCGEGBHRAVPX-JOCHJYFZSA-N 418.459 4.160 0 1 HIAF Fc1ccc2nc(N[C@H]3C[C@H](Oc4nccnc4C4CCOCC4)C3)sc2c1 146928015 OGTJZDFPHVSLAB-GASCZTMLSA-N 400.479 4.141 0 1 HIAF CC(C)Oc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 168183077 MPNAGUROMLUNTH-UHFFFAOYSA-N 417.509 4.279 0 1 HIAF C[C@H](NC(=O)[C@H]1CCCN1Cc1ccc(C(F)(F)F)cc1)c1ccc(C(=O)O)cc1 206266740 XPYRGSDSBMSQJW-IFXJQAMLSA-N 420.431 4.245 0 1 HIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(C(=O)O)cccc4[nH]3)cc2)c1C 586947544 RPUMHVBSXUTCFS-UHFFFAOYSA-N 421.478 4.346 0 1 HIAF Cc1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cc1Cl 587183006 UJOJGJNXIROPSQ-VIFPVBQESA-N 400.651 4.244 0 1 HIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587259992 PLKHRBDMWDDGNA-ZDUSSCGKSA-N 408.836 4.201 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(F)ccc(F)c32)[C@H]1c1ccc(F)cc1 587330866 GBEZRWFJSQDDON-JTSKRJEESA-N 411.335 4.016 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587420381 FYPZZEYIQDJAMF-BQEZGVCGSA-N 403.400 4.432 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccncn1)(c1ccc(OC)cc1)CC2=O 587487488 FWJMHBFGDCSIKN-XMMPIXPASA-N 404.466 4.247 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc4c(cc3nc1O)OCCO4)CC2=O 587488747 JFUJDHAAOARSNT-IBGZPJMESA-N 407.422 4.076 0 1 HIAF Cn1nnnc1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587510245 XXFOFOBPABOKFA-HXUWFJFHSA-N 424.888 4.028 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC3CCOCC3)nc2)N1 587772100 NMGLFRODVSTEFV-YUNKPMOVSA-N 421.310 4.165 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc3ccccc3c12 587791656 KJJQYGFLWOESTK-WIUDPPPLSA-N 411.274 4.471 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@H]2OCc2ccccc2)N1 587833037 DWAUCIXDXGPSLI-CFCCAZDESA-N 420.322 4.323 0 1 HIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(I)cnc2[nH]1 587930365 OUOUSYZKATWVPZ-SJCJKPOMSA-N 405.239 4.016 0 1 HIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(F)cnc(Br)c4[nH]1)(C3)C2 587950539 MNEYYAYRDYEFLN-IMWAJYHESA-N 408.271 4.013 0 1 HIAF CCc1ccsc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC 653867819 VLCZRDHZROXXII-UHFFFAOYSA-N 420.918 4.192 0 1 HIAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2ccccc2OCCN2CCOCC2)cc1 962658454 CQJFZXWFSAJACX-HHHXNRCGSA-N 414.549 4.300 0 1 HIAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c(Cl)n1 963189543 WXLXYMRQBHEQGP-GXTWGEPZSA-N 421.202 4.104 0 1 HIAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(Nc3ccc(F)cc3)c2cn1)c1ccccc1 1772593291 BBXXAQGUFJPMNG-LJQANCHMSA-N 420.448 4.350 0 1 HIAF Cn1c(C(=O)OCc2cccc3ccccc23)nc2cccc(OC3CCNCC3)c21 1857538088 WYBZJJSWAGJVBK-UHFFFAOYSA-N 415.493 4.214 0 1 HIAF CC1=C[C@H](CNS(C)(=O)=O)[C@@H](C(C)C)C[C@@H]1Cc1nc2ccc(Cl)cc2[nH]1 2356507984 NDGRNCICOWAOKE-BFYDXBDKSA-N 409.983 4.163 0 1 HIAF Cc1ccc(F)cc1C(=O)N1CCC[C@@H](c2cc(C(=O)NCc3ccccc3)no2)C1 61930111 KNZSZNIRQCWKIS-GOSISDBHSA-N 421.472 4.072 0 3 HIAF O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(c2nnc(-n3cccc3)s2)CC1 201458850 MRWCXWXACOCDKB-UHFFFAOYSA-N 422.341 4.491 0 3 HIAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12)N1CCOCC1 772209 JBSADFLAADICKH-JTHBVZDNSA-N 420.896 4.444 0 1 HIAF CC(=O)c1ccc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3)C2)s1 12058029 HWUPFKGRJMIXHC-JOCHJYFZSA-N 400.519 4.218 0 1 HIAF Cc1c([C@H](O)c2ccccn2)oc2cccc(OCCCNCc3cccnc3)c12 13479545 FJGCNQALXGWFCZ-HSZRJFAPSA-N 403.482 4.172 0 1 HIAF CNc1cc(OC)c(C(=O)N[C@H]2CCN(C3C4CCCC3CCC4)C2)cc1Cl 26669038 UHNSNEFUZARLIE-SAAHUIRJSA-N 405.970 4.163 0 1 HIAF O=S(=O)(c1ccccc1)[C@H]1C[C@@H]2O[C@H]1C(c1cccc(O)c1)=C2c1ccc(O)cc1 28639098 ONZSWOKBHMLNCW-AWRGLXIESA-N 420.486 4.022 0 1 HIAF COc1c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)cc2c1[C@H](C)NCC2 40846430 IPTFATDHZCSHQR-INIZCTEOSA-N 417.461 4.340 0 1 HIAF COc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1OC 72110260 NIZRCSLBHWHZTQ-UHFFFAOYSA-N 402.472 4.102 0 1 HIAF C[C@@H](c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CC[C@](CCO)(c2ccccc2)OC1=O 96178580 GYNKGIGNECUXON-BVZFJXPGSA-N 418.493 4.223 0 1 HIAF O=C(N[C@@H]1CCCC[C@@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1 103247947 IRNGVYZGPNAVHN-UXHICEINSA-N 400.906 4.224 0 1 HIAF N[C@H]1CCCN(c2ccccc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)C1 142968435 LWXHKBKAMIELTQ-HNNXBMFYSA-N 420.467 4.346 0 1 HIAF C[C@H](NC(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1)C(F)(F)F 224775648 JUKDSCRWMDUHBH-NSHDSACASA-N 404.367 4.213 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C3(c4ccc(O)cc4)CC3)nc2c1 586895926 DLLSJCBCXTXXPX-UHFFFAOYSA-N 401.260 4.288 0 1 HIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 586948323 NIZXAQBFLLEEOV-UHFFFAOYSA-N 412.284 4.282 0 1 HIAF O=C1CSc2ccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc2N1 587042281 CJGYOUPAUFXRFY-UHFFFAOYSA-N 400.332 4.323 0 1 HIAF O=C(NCc1nc2ccc(Br)c(F)c2[nH]1)c1cccc(C(F)(F)F)c1 587112948 WTZYFJLFFVPWOA-UHFFFAOYSA-N 416.172 4.413 0 1 HIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587116983 OHALOPXRUPBFMT-UHFFFAOYSA-N 405.089 4.049 0 1 HIAF CCCOc1cc2nc(-c3ccc(NC(=O)OC)nc3)[nH]c2cc1Br 587244443 FNVRXJVDQFTRMC-UHFFFAOYSA-N 405.252 4.355 0 1 HIAF Cc1[nH]c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C(=O)O 587345748 KKWFIYXZFRTIRJ-CVDCTZTESA-N 409.413 4.449 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 587371117 DCWZRFOURIQZAL-MRXNPFEDSA-N 401.677 4.339 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(N(C)C)n(-c3ccc(F)cc3)c1Cl)O2 587385862 VVDNITRCFVVXLC-KRWDZBQOSA-N 414.868 4.328 0 1 HIAF C[C@]1(CC(=O)Nc2cccnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550378 AAQSXPDZIRFJGY-XMSQKQJNSA-N 424.840 4.190 0 1 HIAF CCOC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593050 BSYFYUXPEOKXMJ-YKSBVNFPSA-N 404.418 4.446 0 1 HIAF CCOC(=O)C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598827 VLESBJRAIPWPBC-WIOPSUGQSA-N 418.445 4.289 0 1 HIAF C/C(=C/[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587616750 GMPCDZYHCJSBSF-LQYOXVRESA-N 408.479 4.171 0 1 HIAF O=C(CNc1ccccc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655995 SAGLGOJWBGKZMB-UHFFFAOYSA-N 409.367 4.233 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3cc(F)ccc3c2=O)N1 587734340 QRXPYONLZUESHD-LZVRBXCZSA-N 406.226 4.457 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nccn2C)(c2ccccc2)N1 587758849 YKUKFEMCDVXQOS-LHSJRXKWSA-N 414.322 4.342 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587796537 LBTPXNZTMULPHM-XCLFUZPHSA-N 406.295 4.238 0 1 HIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587804081 AMMGUMICAFEVRR-YBTHPKLGSA-N 424.310 4.412 0 1 HIAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1C=O 587807864 OHDGKNHVOAKCJU-APBUJDDRSA-N 408.267 4.042 0 1 HIAF COc1ccc(NC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cn1 587864266 NKZFOBOYSLAYGO-UHFFFAOYSA-N 408.405 4.226 0 1 HIAF OCCCCCNc1nccc(NCCCNc2ccnc3cc(Cl)ccc23)n1 653870723 LIPPMTBYGFWROU-UHFFFAOYSA-N 414.941 4.167 0 1 HIAF COCCCN1CCc2ccc(OC)cc2[C@@]12CCCOc1c(OC)cc(C)cc12 961314858 AYBHDGOQFDSNET-RUZDIDTESA-N 411.542 4.323 0 1 HIAF CN(C)c1cccc(Cl)c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962703975 TXQHWCQKLQBKIC-RHSMWYFYSA-N 416.802 4.252 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2nc3c(s2)C[C@H](c2ccccc2)CC3)N1 962913127 QPVMFQCCTGLCKB-IBZMOEQTSA-N 408.498 4.243 0 1 HIAF COc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)C[C@@H](C(C)(C)C)CC4)cc1 1772581003 ALNNGGKMLANTKH-ZDUSSCGKSA-N 408.527 4.255 0 1 HIAF NC(=S)c1cccc(-c2cn(CCC(F)F)c3cc(N4CCOCC4)ccc23)c1 1857619057 PTOFZDUZBCPHBL-UHFFFAOYSA-N 415.509 4.434 0 1 HIAF Cc1ccccc1-n1c(Cn2cc(-c3ccccc3)nn2)nc2cccc(C)c2c1=O 1857769022 UAPBPUXGFWPFLI-UHFFFAOYSA-N 407.477 4.309 0 1 HIAF O=C(O)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 13634659 FYKCPLRGECXZBW-APWZRJJASA-N 408.372 4.213 0 3 HIAF CC[C@H](C(=O)NCc1ccccc1)n1c(C2CCN(C(C)=O)CC2)nc2ccccc21 199230155 OBZQFDKSLJHBCH-JOCHJYFZSA-N 418.541 4.030 0 3 HIAF CCN(CCCCCCCF)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 3821708 QOXOJHHMRIKVDC-FQEVSTJZSA-N 402.576 4.114 0 1 HIAF COc1ccc(Oc2ncc3nc(-c4ccc(F)cc4)c(=O)n(C4CC4)c3n2)cc1 4238888 KGOQBMVYLWSLHE-UHFFFAOYSA-N 404.401 4.128 0 1 HIAF CC(C)CC(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@H](C(C)(C)O)C2 13461258 XQVNGPCRGYMCIR-SFHVURJKSA-N 422.477 4.469 0 1 HIAF biogenic CCN(CC)c1nc(C)nc(N(CC)c2ccc(C(C)=O)cc2Br)n1 13794517 OISWGVNYEQWWLK-UHFFFAOYSA-N 406.328 4.149 0 1 HIAF O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc2c1Cc1ccccc1-2 13864101 GGKGPBLSDOYJJD-UHFFFAOYSA-N 411.549 4.200 0 1 HIAF COc1cc(Nc2ncccc2-c2nc(-c3cccc(OC)c3)n[nH]2)cc(OC)c1 28530035 KVTXGGQGALMQGM-UHFFFAOYSA-N 403.442 4.303 0 1 HIAF CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc(OC)cc23)C1 72175804 SVSJAMIHMSBTQM-UHFFFAOYSA-N 416.930 4.172 0 1 HIAF CCCCCc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)oc1C 82165808 MFEZXYMIZFGICI-INIZCTEOSA-N 423.517 4.134 0 1 HIAF CC(=O)NCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2F)n1 82176084 BVZGOSUFCHDVCL-UHFFFAOYSA-N 407.474 4.107 0 1 HIAF CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(O)cc3)CC2)c2ccccc21 95564934 SMPAXQNASQVLJD-UHFFFAOYSA-N 420.557 4.007 0 1 HIAF C/C=C(/COC(=O)/C(C)=C/C)C(=O)O/C(=C/C)c1cc(OC)c(OC)c(OC)c1 95919231 IVVZNECQJNOXTP-ZAVOMQMLSA-N 404.459 4.072 0 1 HIAF biogenic,in-vitro CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(Br)ccc1F 104060314 CWEHJVCECNZCKR-RIBQPWQFSA-N 409.259 4.461 0 1 HIAF Cc1nc2ccccn2c1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 113761210 JTVJMRXPPATEJN-UHFFFAOYSA-N 416.865 4.298 0 1 HIAF Nc1cnccc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3s2)cc1 205551922 WMLXGHIWSJBGMP-UHFFFAOYSA-N 402.479 4.061 0 1 HIAF COc1cccc(C(=O)N(C)c2nc(-c3cc(OC)c(OC)c(OC)c3)cs2)c1 207493799 IXBSGQXFTMVUBO-UHFFFAOYSA-N 414.483 4.121 0 1 HIAF O[C@H]1C[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)c2ccccc21 586905205 ZJEYECASIWCFBU-ONGXEEELSA-N 409.081 4.052 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1 586970679 IKEWMBGCGPVHQX-UHFFFAOYSA-N 417.600 4.426 0 1 HIAF COC(=O)c1cc2[nH]c(/C=C\c3ccc(Br)c(OC)c3)nc2cc1OC 586977812 SRUKKSRGKKXAMN-ALCCZGGFSA-N 417.259 4.300 0 1 HIAF Cc1ccc(S(=O)(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586993869 KNTRDBFSMQWSRD-UHFFFAOYSA-N 415.470 4.434 0 1 HIAF N=C(N)c1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1 587055679 LHPDYDZVJWCBFF-UHFFFAOYSA-N 412.280 4.031 0 1 HIAF N[C@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(Br)cc1F 587142627 IIPASWPGCTWGGY-LLVKDONJSA-N 403.177 4.121 0 1 HIAF Cc1c(I)cnn1[C@@H](C)c1nc2cccc(C(F)(F)F)c2[nH]1 587182113 LKFMANKEMZFHTP-QMMMGPOBSA-N 420.176 4.301 0 1 HIAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587202446 IGMKRILKTFXEAI-OAHLLOKOSA-N 408.241 4.312 0 1 HIAF Cc1ccc(F)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335942 PLVHDSNJLGYFRC-JPYJTQIMSA-N 407.372 4.185 0 1 HIAF CCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587346229 IFPVISOVZKAZSF-QPPBQGQZSA-N 403.409 4.300 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(I)c1F)O2 587385274 BWHRXPXTUTYGFV-CYBMUJFWSA-N 415.177 4.167 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC[C@@H]4CCCCO4)c(F)c1)[C@@H](C2)C3=O 587425686 GIORLMOHGVLZHC-KEWLPNKHSA-N 412.457 4.445 0 1 HIAF COC(=O)c1ccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)o1 587455080 IKXXWOXJEWQADH-WZONZLPQSA-N 420.417 4.143 0 1 HIAF COc1ccc([C@]2(CO)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587691982 FRDWZYUNXCNFRH-MGNBDDOMSA-N 414.702 4.020 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(OCC)ccc3OCC)[nH]c2c1 587778469 NLWGKCGOMQQYDB-UHFFFAOYSA-N 417.531 4.106 0 1 HIAF CC(=O)C[C@@H]1C(=O)CC(C)(C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587822646 LTLHNSQVYPFRHF-RPLLZPRCSA-N 410.327 4.302 0 1 HIAF CCOC(=O)C(F)(F)c1ccc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)n1C 963114120 WUNMIYPENUNQBX-GOSISDBHSA-N 417.283 4.396 0 1 HIAF Cc1ccc([C@]2(c3cc(C)ccc3C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)nc1 963222046 KEJSGYGLUOZGPQ-SHQCIBLASA-N 423.516 4.446 0 1 HIAF C=CC(=O)N1CC[C@H](n2cc(-c3cc4cccc(C)c4s3)c3c(N)ncnc32)C1 1857570210 VNADRHYCOKIGMT-HNNXBMFYSA-N 403.511 4.163 0 1 HIAF CCOc1ccc(-c2cnc(NC(=O)NC)cc2Oc2c(F)cccc2F)cn1 1857584608 VBTGCGZQBDFJSP-UHFFFAOYSA-N 400.385 4.364 0 1 HIAF CC(=CC=C1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@@](C)(CO)CCC[C@]21C 2356409856 UQABFAYKAMYBGT-BAGHNYGDSA-N 418.574 4.037 0 1 HIAF O=C1CC[C@@H](S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)N1Cc1ccccc1 206021095 REHPIYKTWQCFSU-VWNXMTODSA-N 405.519 4.393 0 3 HIAF CSc1nc(SC)c2c(CO)c(Br)n(Cc3ccccc3)c2n1 1613008 UMRYQGGTZZGUNQ-UHFFFAOYSA-N 410.362 4.178 0 1 HIAF CCC(CC)(CC)CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 3796768 BKLLKPJWIZCXKY-KRWDZBQOSA-N 410.942 4.026 0 1 HIAF CCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C)cc2)C1=O 6655874 WOQKADFAKOYWEV-RCZVLFRGSA-N 415.537 4.351 0 1 HIAF biogenic CCCC1(CCC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 26489627 YJIZDBHOJXZBQK-JOCHJYFZSA-N 424.497 4.428 0 1 HIAF CO[C@H](C)C(=O)N(c1ccccc1F)[C@@H]1CCN(CCc2cccs2)C[C@@H]1C 26728582 JIKKIUARYBEXPE-SQGPQFPESA-N 404.551 4.208 0 1 HIAF O=C(c1ccc(-n2ccc(CO)n2)cc1Cl)N1Cc2cccn2Cc2ccccc21 28824060 VKIODPSRTWIKKR-UHFFFAOYSA-N 418.884 4.028 0 1 HIAF CCOC(=O)[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O 29559706 KHIBBMKEFBUJIP-FQEVSTJZSA-N 423.465 4.078 0 1 HIAF CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 34858172 PDLXRYMASBJNOF-LLVKDONJSA-N 418.412 4.174 0 1 HIAF CC1=C(CC/C(C)=C/CC/C(=C\C[C@H](O)C2=CC(=O)O[C@H]2O)CO)C(C)(C)CCC1 40943466 KSNNYMFBQQASJN-SDQJKBCBSA-N 418.574 4.491 0 1 HIAF in-vitro O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)Nc1ccccn1 84652539 BVHKYUKBOGXMRL-UHFFFAOYSA-N 401.514 4.090 0 1 HIAF CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccco3)cc12 96907164 BOQLWDKHJXEOTP-UHFFFAOYSA-N 410.518 4.399 0 1 HIAF CC(C)N1CCN(c2ccc3c(c2)C(=O)c2c([nH]c4cc(C#N)ccc24)C3(C)C)CC1 114801049 AKVSDZYZDIOJIN-UHFFFAOYSA-N 412.537 4.440 0 1 HIAF c1ccc(-c2csc3ncnc(N4CCC(CNCC[C@@H]5CCCN5)CC4)c23)cc1 146403732 ZGOVHIWCOPUGBF-FQEVSTJZSA-N 421.614 4.306 0 1 HIAF CN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)cc21 169309886 UVDKNORLEFTOMX-GDLZYMKVSA-N 424.909 4.027 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1 169707183 NQRDGMBBAQMNDH-KRWDZBQOSA-N 422.916 4.220 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 299887524 ZAHNDAGNFYIZGM-GIJCHTRTSA-N 404.595 4.166 0 1 HIAF Nc1ccc(-c2ccc3nc(C[C@@H](N)c4ccc(Br)cc4)[nH]c3c2)cc1N 586997349 PYDMBHFEALENPD-QGZVFWFLSA-N 422.330 4.399 0 1 HIAF CNS(=O)(=O)c1sccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587101319 FIHFUVCNCQYPNF-UHFFFAOYSA-N 420.515 4.391 0 1 HIAF Cc1cc(Br)c2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 587193653 CVRURQPOLUHQKV-ZDUSSCGKSA-N 411.344 4.151 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCN(Cc3ccccc3)C2=O)[C@@H]1c1ccc(F)cc1 587342651 GHUCFWGTGJZZPN-RCZVLFRGSA-N 417.436 4.062 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350190 RJHXGDSYCJHEKW-URXFXBBRSA-N 406.409 4.349 0 1 HIAF CCCc1c(O)ccc2c1OC1(CC2=O)c2cccc(O)c2C(=O)c2c(O)cccc21 587475856 AVSIBFZFIWWFKK-UHFFFAOYSA-N 416.429 4.209 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc(F)cc2c1=O 587572230 ULZVIYGXZLJBIV-WMZHIEFXSA-N 404.349 4.341 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2ccnc2)(c2ccc(F)cc2)N1 587732758 JPGATIGSDYNXBK-RBZFPXEDSA-N 418.285 4.402 0 1 HIAF CCCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587793688 KGNUCEAIQIAFSP-BIBXISHDSA-N 403.295 4.271 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3nncn3C)o2)N1 587847433 XUKTVIYYTFUEQA-JDNHERCYSA-N 423.311 4.085 0 1 HIAF CCc1nn(Cc2ccc(-c3nc4ccccc4n3C)cc2)c(CC)c1CC(=O)O 1772629678 KGNBBHLTKLAWJT-UHFFFAOYSA-N 402.498 4.237 0 1 HIAF CCn1c2ccccc2c2cc(C(=O)Nc3cccnc3N3CCOCC3)ccc21 1857645091 MZQMFUSAIFFQEX-UHFFFAOYSA-N 400.482 4.298 0 1 HIAF CC1=C[C@H](CNCc2ccncc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356339017 GDWVHMPNQJUWLQ-HBMCJLEFSA-N 420.561 4.052 0 1 HIAF Cc1ccsc1[C@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccccc1 4964606 NZCXQTPTQCGSTO-MRXNPFEDSA-N 414.556 4.211 0 3 HIAF CCc1ncc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)cn1 12072808 SPLZQXIUUFYEIK-SFHVURJKSA-N 407.543 4.013 0 3 HIAF COc1cc(NC(=O)c2ccc(-c3cnn(C)c3)c3ccoc23)cc(OC)c1OC 61908791 KSNCEOLASNOVOB-UHFFFAOYSA-N 407.426 4.111 0 3 HIAF COCc1[nH]nc2c1[C@@H](c1ccc(Br)cc1)N(Cc1ccccc1)C2=O 199731168 BDFCINRDQZZXPN-LJQANCHMSA-N 412.287 4.064 0 3 HIAF CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 770616 LTDXYJVQSNEDLG-NRFANRHFSA-N 412.505 4.221 0 1 HIAF C[C@@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 1863286 MMOJOYYBEUMETD-ZMZPIMSZSA-N 411.310 4.066 0 1 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 4080279 WVDHYDWJNMTVKR-AZUAARDMSA-N 411.914 4.392 0 1 HIAF C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)C[C@H](C)N1C 13758900 VTARULBYXIJDCV-IRXDYDNUSA-N 419.504 4.143 0 1 HIAF O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1ccco1 28525394 QCYCFAOKOCRRJJ-QZTJIDSGSA-N 405.292 4.296 0 1 HIAF 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587721837 QGYDWSLEPHCSPI-PSLIRLAXSA-N 406.221 4.253 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)cc3c2N(C)CCC3)N1 587768021 SMXHBTLQXXVHSV-YUNKPMOVSA-N 417.322 4.407 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc(Cc3cccc(OCCC)c3)[nH]c2c1 587778455 KUXZIWJAJUOPTR-UHFFFAOYSA-N 401.532 4.021 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccncc12 587778867 OLEPWHOCZLQKSL-IPQOISQHSA-N 423.285 4.354 0 1 HIAF Cc1cc(S(=O)(=O)N2[C@H](CN(C)C)CC[C@@H]2c2ccc(F)cc2)cc(C)c1F 653775566 WLXHLHFIWPSBNX-AZUAARDMSA-N 408.514 4.038 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@@H]3[C@@H]3CCCN3C)nc(Cl)c2C)s1 653808342 KCVSSWIVRALAID-JYJNAYRXSA-N 421.998 4.233 0 1 HIAF CCc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC 653916429 YKPMZIDESFSCCT-UHFFFAOYSA-N 414.889 4.130 0 1 HIAF COc1ccc([C@@]2(Cc3ccncc3)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962578064 ZWVYIVKFZUXWTJ-DWXRJYCRSA-N 418.537 4.470 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(C1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962701264 JVDZZDXQDRSYFS-XCGNWRKASA-N 406.567 4.462 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2cccc(CN3CC=CC3)c2)(C2CCCC2)N1 962904322 VPLMNJVZLIFHCT-AHWVRZQESA-N 420.528 4.230 0 1 HIAF Cc1nn(-c2ccccc2)c2nc(Cl)c([C@H]3NCCc4c3c(C(C)C)nn4C)cc12 962911081 OLSWTAYGBYKGJK-OAQYLSRUSA-N 420.948 4.474 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2nccnc2NC(=O)OC(C)(C)C)N1 962940544 CWVZBSPRZDLCTG-LFVRLGFBSA-N 407.518 4.493 0 1 HIAF Cc1cnoc1C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 1857559611 KHOZFUGNWQHUQI-UHFFFAOYSA-N 400.360 4.074 0 1 HIAF O=Cc1ccc([C@H](C2CCCC2)[C@@H]2C[C@H]([C@@H]3CC[C@@H]4CCC[C@@H]4N3)[C@@]3(O)C[N@@]23)cc1 2356373533 BZPUEYCJDUYTDS-QUINSJQGSA-N 408.586 4.086 0 1 HIAF CC(C)=CCc1ccc2c(c1O)C(=O)c1c(O)cc(C)c3c1[C@H](O2)[C@@H](C(C)(C)O)CO3 3652685 MYJGUMZTENHAAQ-IZHWHUGBSA-N 424.493 4.359 0 3 HIAF biogenic,in-vitro COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 767059 TZDIXBZYXUYXRW-LADGPHEKSA-N 418.468 4.285 0 1 HIAF CCC[C@]12Cc3c(OC)ccc(OC)c3C[C@H](Cc3c(OC)ccc(OC)c31)C2=O 1616125 BQKDLEQJNGWSHS-BZQUYTCOSA-N 410.510 4.299 0 1 HIAF Cc1ccc(C)c(N2CCN(CCCNC(=O)Nc3ccc(Cl)cc3)CC2)c1 4791791 PRMYVQREFFTGGN-UHFFFAOYSA-N 400.954 4.291 0 1 HIAF Cc1c(C(=O)NC2CCCC2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc12 4826896 XVKVZJRZDGREIP-GJZGRUSLSA-N 418.559 4.080 0 1 HIAF CC[C@@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@@H](C(C)(C)O)O2 14585973 AVIZABGQXBMRCJ-DYVFJYSZSA-N 422.477 4.469 0 1 HIAF endogenous,in-man CC(C)=CCc1c(O)c2c(c3c(=O)c(-c4ccc(O)cc4)coc13)O[C@H](C(C)(C)O)C2 14883686 OHZLHANZWCWEIU-IBGZPJMESA-N 422.477 4.454 0 1 HIAF biogenic Cc1ccc(-c2nc(CCC(=O)c3ccc(C[C@@H]4SC(=O)NC4=O)cc3)c(C)o2)o1 29485585 FNCRYEQPPGREFH-IBGZPJMESA-N 424.478 4.261 0 1 HIAF CCCCN(Cc1ccc(C)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40405758 OFDATFHSIYGBFC-HSZRJFAPSA-N 414.500 4.055 0 1 HIAF CSc1ccc(NC(=O)N2CCc3c(c(COc4ccccc4)nn3C)C2)cc1 64565974 WFEUFZQNQQCEHN-UHFFFAOYSA-N 408.527 4.311 0 1 HIAF CCCc1nc2c(NCCCc3ccccc3)ncnc2n1CCc1ccccn1 82180051 BFBQACWQYIMJNF-UHFFFAOYSA-N 400.530 4.461 0 1 HIAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O 114713408 BSVQUYVESVZPNH-BWTSREIZSA-N 409.530 4.376 0 1 HIAF N[C@H]1CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1 145528050 BERGLORGWPZLPW-HKUYNNGSSA-N 421.522 4.175 0 1 HIAF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cccc(Cl)c1)[C@@H]23 169333589 FMZNWJUBCPEEEV-LPOZWGFCSA-N 404.982 4.358 0 1 HIAF C[C@H](Nc1nccc(N2C(=O)OC3(COC3)[C@@H]2c2ccccc2)n1)c1ccccc1 222599669 XHGYTCDIBZJNNA-JXFKEZNVSA-N 402.454 4.117 0 1 HIAF CCS(=O)(=O)N(C)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 224743076 JNALJIRZKMBRKN-UHFFFAOYSA-N 410.474 4.217 0 1 HIAF COc1ccc2c(C)c(CCc3nc4c(F)cnc(Cl)c4[nH]3)c(=O)oc2c1C 586919307 ZRZKRDPXMFZLJR-UHFFFAOYSA-N 401.825 4.267 0 1 HIAF COC(=O)c1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587001020 KLGUCUQPSMEXQF-AATRIKPKSA-N 415.243 4.054 0 1 HIAF Cc1cc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2c(C)n1 587006936 URXXAFYLGCDBGA-UHFFFAOYSA-N 409.287 4.214 0 1 HIAF COC(=O)c1cc(Br)c2nc(C(=O)Nc3ccccc3Cl)[nH]c2c1 587060913 WIBCGYUHTYHJGC-UHFFFAOYSA-N 408.639 4.018 0 1 HIAF CC[C@]1(CNC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587757492 VJDDTWHQKNIOFG-BBATYDOGSA-N 401.320 4.252 0 1 HIAF COc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 587757799 HULQQXADOBYPMM-YUNKPMOVSA-N 416.294 4.406 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cn3cccn3)c2)N1 587761778 VYQGDCTVZVPAII-ZUOKHONESA-N 400.295 4.457 0 1 HIAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587837226 DSWMRYKUXAXSAD-GIPWTMENSA-N 418.262 4.035 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSCC(=O)O)(c2ccccc2)N1 587849022 YQRKCUVEGDCTDB-CWTRNNRKSA-N 424.335 4.184 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccc2n(C)c1=O 587866249 HJWRJXNRECIRIY-UHFFFAOYSA-N 414.387 4.204 0 1 HIAF CCC[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)CCc1c(F)cccc1F 617990080 KULGLKRISUOUBE-IYOXOMEYSA-N 407.482 4.170 0 1 HIAF O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl 618005665 XTZBBHWYUGQTIG-JOCHJYFZSA-N 404.897 4.396 0 1 HIAF COc1ccc2c(c1)[C@@H](c1sc(N3CCC(O)CC3)nc1Cl)N(C(C)C)CC2 962089884 ICLBQPPHANWBPX-SFHVURJKSA-N 421.994 4.122 0 1 HIAF CCOC(=O)C1CCN(c2ncccc2[C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)CC1 963088333 DXLMBMPGHAYVPV-WMZHIEFXSA-N 423.532 4.110 0 1 HIAF Cc1ccn2c([C@@H]3N[C@@H](C(=O)O)Cc4cc(C(F)(F)F)c(Cl)cc43)cnc2c1 963189952 XORWCWNHBWDZEW-RHSMWYFYSA-N 409.795 4.003 0 1 HIAF C[C@@]1(c2cc(Cl)ccc2OC(F)F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963227099 FKOCDLAGUJDCHO-UWJYYQICSA-N 418.827 4.352 0 1 HIAF Cc1cc([C@@]2(c3ccc(C(C)C)cc3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)ccn1 963474103 UPSGKCOIGUFKHI-BKMJKUGQSA-N 416.521 4.418 0 1 HIAF COc1ccccc1N(C)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963512216 VVPIISLMPUKENC-CYFREDJKSA-N 418.493 4.165 0 1 HIAF COc1cc(CN2CCC(NC(=O)c3ccc(Cl)cc3Cl)CC2)cc(OC)c1 1772579530 ZHPMKYPXJOGYRU-UHFFFAOYSA-N 423.340 4.405 0 1 HIAF Cc1cc(=O)oc2cc(NC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12 1772603123 AMGBKWCILDIKJV-WKILWMFISA-N 414.502 4.371 0 1 HIAF COc1ccc(Nc2c(-c3cc4ccccc4n4nnnc34)nc3sccn23)cc1 1857571007 RFEPJTDZSSOVCM-UHFFFAOYSA-N 413.466 4.406 0 1 HIAF CC1(C)O[C@]2(CC3=CCC[C@]45C[C@]34[C@H](O[C@@H]5c3ccoc3)O2)C[C@@H]1[C@@H]1C=CC(=O)O1 2356669602 HRRBKEHQHRGAFZ-BXAHZHPZSA-N 410.466 4.187 0 1 HIAF CC[C@@H]1CCCC=CC=C[C@H](O)C[C@H](O)CC=CC=C[C@@H](O)CC=CC=CC(=O)O1 2356778235 PNIHJNURJFVDOY-UEQSERJNSA-N 416.558 4.082 0 1 HIAF Cc1cc(CN2CCC[C@H](C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)n[nH]1 15934929 IQFVZEAIOKMHBE-SFHVURJKSA-N 414.513 4.112 0 3 HIAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCc2c(Cl)cccc2Cl)cc1 769876 CCJVVZLZJBADBS-OAQYLSRUSA-N 420.340 4.159 0 1 HIAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CCOCC1 770798 BXHCZEDQSTZMBW-ISKFKSNPSA-N 422.525 4.159 0 1 HIAF CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl 773590 KLMDZFIZLFWDBN-AWEZNQCLSA-N 406.816 4.441 0 1 HIAF CC(=O)O[C@@H]1C[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)c2ccc(O)cc2)C=C1C 14956765 XLXAJOASBOPLDJ-LBQHQWNISA-N 416.514 4.003 0 1 HIAF biogenic COc1cc(OC)c(N(C)c2nc(-c3ccc(OC)c(OC)c3)no2)cc1Cl 21630630 HRNQIKISQFCQTO-UHFFFAOYSA-N 405.838 4.192 0 1 HIAF Cc1ccc(-c2csc(-c3cccc(NC(=O)CN4CCOCC4)c3)n2)cc1C 25317815 ORTKAPNOMWJPLC-UHFFFAOYSA-N 407.539 4.365 0 1 HIAF CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2Cl)[C@H]2CCNC2)cc1 28823625 NSGGVMBKDZFWJT-QFIPXVFZSA-N 413.993 4.229 0 1 HIAF CCCN(Cc1ccccc1Cl)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40917428 QBLLXZWAFQGZOZ-NRFANRHFSA-N 420.891 4.010 0 1 HIAF CN1CCN(c2cnc(NC(=O)[C@H](c3ccc(Cl)cc3)C(C)(C)C)s2)CC1 45349965 PVWZESZRODUNDT-KRWDZBQOSA-N 406.983 4.317 0 1 HIAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(-c3ccc(F)c(C)c3)cc2)c1 58583521 LMRTYEOIBCBKCG-QPPBQGQZSA-N 405.517 4.434 0 1 HIAF Cc1cc(Cl)cc(C(=O)NC(C)C)c1NC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 84707779 YHLUKYJCISNQGS-SFHVURJKSA-N 417.868 4.057 0 1 HIAF O=C(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 95866764 WUFOPPOKIVHBCP-AGILITTLSA-N 402.469 4.483 0 1 HIAF Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@@H]2CC(=O)NCc1ccccc1 96284880 UMYJLWPHQRXSOQ-JOCHJYFZSA-N 421.504 4.174 0 1 HIAF O=C1CCc2ccc(OCCCCCCN3CCOCC3)cc2N1Cc1ccccc1 169308733 QASMIENQMRFILN-UHFFFAOYSA-N 422.569 4.437 0 1 HIAF COc1cc(C(=O)O[C@@H]2CCC3=C(C2)C[C@H](N2CCCCC2)C3)cc(OC)c1OC 169343102 QQDPQVJKMPLQGN-WOJBJXKFSA-N 415.530 4.367 0 1 HIAF CC1=N[C@]2(C[C@]3(CCCOC3)Oc3ccc(-c4ccc(F)c(Cl)c4)cc32)N=C1N 169708638 AMESWUXBYLEHJV-FCHUYYIVSA-N 413.880 4.462 0 1 HIAF COc1cccc(C(=O)Nc2nc(-c3cc(OC)c(OC)c(OC)c3)cs2)c1 207453036 AWCFICPIIUNYMM-UHFFFAOYSA-N 400.456 4.097 0 1 HIAF Cc1nn(C(C)C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220179130 WVDZBUCUXBEFHG-IBGZPJMESA-N 410.905 4.183 0 1 HIAF Cn1cc(-c2ccc3nc(NC(=O)c4ccccc4)cn3n2)c(-c2ccc(F)cc2)n1 220890777 DHTGXBVYSUMMJH-UHFFFAOYSA-N 412.428 4.188 0 1 HIAF COc1ccc(-c2cc(C(N)=O)nc3cc(CCc4cnc(C)nc4)ccc23)cc1F 221614092 CYHMZHADXUXTFF-UHFFFAOYSA-N 416.456 4.032 0 1 HIAF Cc1cc(C(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C)cc2c[nH]nc12 473148668 GVBCUWFZVPUNCH-HJPURHCSSA-N 412.534 4.123 0 1 HIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc1-2 587075124 CVYKVRHKXOCOEK-VIFPVBQESA-N 402.163 4.247 0 1 HIAF N[C@@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(Br)cc1F 587142536 DPHYPXXMUCQGBI-JTQLQIEISA-N 404.070 4.409 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccc(Br)cc1)O2 587370041 ARSRXAHFNRQRMK-FQEVSTJZSA-N 418.287 4.455 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccn3c1Br)CC2=O 587457734 BYIXRCKTGOAIBW-OAHLLOKOSA-N 401.260 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(C)CC3)cc1Cl)CC2=O 587459128 BXQDCNSDAJSCBH-QFIPXVFZSA-N 414.933 4.456 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3nc(Br)ccc31)CC2=O 587460591 UQSQIWIQWPUHLF-IBGZPJMESA-N 403.276 4.179 0 1 HIAF C[C@@]1(c2ccc(S(=O)(=O)CC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505543 LUADFDCFBWRGBH-QFIPXVFZSA-N 420.477 4.485 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc2c(c1)OCCO2 587611492 RZQSCFFTOUQULU-DENIHFKCSA-N 404.418 4.126 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(NC(=O)OC(C)(C)C)C2)N1 587741747 IFDUBPDBQUWXRB-SPCQOBBISA-N 413.331 4.395 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(CN=O)=COc1ccccc12 587743483 WRKVYCLVUGTUDN-WLRWDXFRSA-N 403.251 4.409 0 1 HIAF CCN1CCC[C@H]1CNc1ncccc1-c1cc(C(=O)NC2CCCCCC2)on1 621428640 RBOBSXXLQDUMGH-SFHVURJKSA-N 411.550 4.085 0 1 HIAF Fc1ccc(CNc2nc(NCc3ccccc3)nc3nc(-c4ccco4)nn23)cc1 653771405 PKKYZWGIYWKCJR-UHFFFAOYSA-N 415.432 4.143 0 1 HIAF Cn1cnnc1Sc1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)o1 962723090 ZXTQFTPENSRUAX-DJJJIMSYSA-N 416.547 4.151 0 1 HIAF C[C@@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)c2c(F)cccc2C[C@@H]2CCCN21 963096465 NLRWAWZDUMMQRK-QMHKHESXSA-N 407.445 4.083 0 1 HIAF O=C(Nc1cc(F)c(F)c(F)c1)c1cc(NN2CCOCC2)c(Cl)cc1Cl 1772650793 MAWJQZYKGLQWMB-UHFFFAOYSA-N 420.218 4.322 0 1 HIAF Cn1nc(COc2ccc(F)cc2)c2c1CCN(C(=O)Nc1cccc(Cl)c1)C2 1857563518 KVIALTLTUZKYTK-UHFFFAOYSA-N 414.868 4.382 0 1 HIAF COc1cccc(-c2nc3ccc(NC(=O)Nc4cccc(C(C)=O)c4)cn3n2)c1 1857617184 ROZQPCUEOSQLFX-UHFFFAOYSA-N 401.426 4.252 0 1 HIAF O=C1CCc2ccccc2N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857758974 JUWXRTHEHKLEOF-SFHVURJKSA-N 406.432 4.413 0 1 HIAF Cn1c(=O)c2cc(NC(=S)NCc3ccccc3F)ccc2n1Cc1ccccc1 61895512 MAHGXVXBFBIJHM-UHFFFAOYSA-N 420.513 4.014 0 3 HIAF CC(C)CC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@@H](C(C)(C)O)O2 3197581 PTQKDRQFGLKODH-SFHVURJKSA-N 422.477 4.469 0 1 HIAF endogenous,in-man CN1[C@H]2CCC(C)(C)[C@@H]1C[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 3874169 AMHPTVWBZSYFSS-JYJNAYRXSA-N 405.585 4.240 0 1 HIAF in-man Cc1c(C(=O)NCCC(C)C)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc12 4826904 IZROPAGHPXYOQP-IYBDPMFKSA-N 420.575 4.184 0 1 HIAF C=C1CCCC(C)(C)[C@@H]2CC[C@](C)([C@H](COC(C)=O)[C@@H]3COC(=O)[C@@H]3OC(C)=O)[C@@H]12 14677071 QFFIZAQCLHVQCV-GJMMDCNQSA-N 420.546 4.069 0 1 HIAF biogenic Ic1cccc(CN2CCN(CCCc3ccccc3)CC2)c1 29132760 OTPYKMDLTNOURD-UHFFFAOYSA-N 420.338 4.042 0 1 HIAF O=C(Nc1cccc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c1)c1ccco1 45192502 ONWPUHJGYNQFPT-UHFFFAOYSA-N 423.900 4.143 0 1 HIAF CCCCNC(=O)[C@H](C)NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 45230346 QRASMEGVADQLJQ-LBPRGKRZSA-N 409.313 4.401 0 1 HIAF CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\CCCCCCCOC2CCCC2)C(=O)O1 45357086 JLXYXSJLRIQZLH-HNFCMGRUSA-N 424.578 4.480 0 1 HIAF c1ccc(OCCn2c([C@H]3CCCN(Cc4ncco4)C3)nc3ccccc32)cc1 73385903 YSFFIZSLOXOSOV-IBGZPJMESA-N 402.498 4.483 0 1 HIAF CCN(CC)CCCNc1nc(NCc2ccccc2)c2cc(OC)c(OC)cc2n1 82126177 LYUOSAFHNNYHDX-UHFFFAOYSA-N 423.561 4.403 0 1 HIAF CC(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@H]1CCCN1C 82187422 CHIBTJCOUGESAI-HXUWFJFHSA-N 424.568 4.303 0 1 HIAF CCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C)c(Cl)c(C)nc12 95586694 BUBWNPVAHSPEIT-UHFFFAOYSA-N 400.910 4.086 0 1 HIAF [C-]#[N+]c1cnc(C(=O)Cc2ccc(C3CN(C)C(=O)N(C)C3)cc2C2=CCCCC2)[nH]1 96167609 UAUAOKBYJJVAQD-UHFFFAOYSA-N 417.513 4.424 0 1 HIAF CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2C)CC1 115626099 PIYRJFKRBIYCOG-UHFFFAOYSA-N 419.573 4.324 0 1 HIAF COc1ccc([C@@H]2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)cc1O 206400640 CXOTZSPGIPIRNU-FQEVSTJZSA-N 418.478 4.181 0 1 HIAF Cc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1N 207264769 GOUTVBDBKUUZQG-UHFFFAOYSA-N 417.494 4.282 0 1 HIAF Cc1noc(C)c1-c1ccc2c(c1)[C@](C1CCCCC1)(N1CCC(O)CC1)C(=O)N2 219361822 UPQOINWYCSHOAS-DEOSSOPVSA-N 409.530 4.143 0 1 HIAF Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3CC[C@H]3CCCCN3)nn12 261102303 GPKQXYCLWXHJTJ-OAQYLSRUSA-N 414.557 4.219 0 1 HIAF Oc1cccc([C@@H](O)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 586888234 BYWFVGUZMZLUAG-CYBMUJFWSA-N 403.154 4.011 0 1 HIAF COc1cc(Br)c([C@H](N)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1OC 586975585 NPTYFYPAMADASE-INIZCTEOSA-N 419.323 4.083 0 1 HIAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)s1 587014739 PLYLYEIXPRSJSX-ZDUSSCGKSA-N 422.576 4.123 0 1 HIAF Brc1nccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587028961 CSGSSKZXGWRQOU-UHFFFAOYSA-N 411.288 4.242 0 1 HIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587080526 PYVFPCFVJVEPOO-VIFPVBQESA-N 415.206 4.354 0 1 HIAF Cc1cncc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 587141718 VIPHMEGCUMQFAK-OAHLLOKOSA-N 410.902 4.125 0 1 HIAF CN(C)C(=O)c1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587189759 DVZXKKUEOPXMRG-LJQANCHMSA-N 408.502 4.221 0 1 HIAF Cc1cnc(Cl)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc12 587240787 WWDJUFLJZISEPM-HCQWSFJTSA-N 420.941 4.475 0 1 HIAF Nc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1CC(=O)O 587249880 PAEGECXAQUEURI-UHFFFAOYSA-N 403.282 4.477 0 1 HIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c(Cl)c1O 587377061 KQDJOFOVKBIKES-GFCCVEGCSA-N 412.667 4.414 0 1 HIAF COC(=O)c1ccc(COc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)o1 587405497 XGGJWSXWZYKXJS-DEOSSOPVSA-N 421.449 4.416 0 1 HIAF C[C@@]1(c2ccccc2NC(=O)CCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587513773 UHUUQVSTTRRULB-DEOSSOPVSA-N 407.466 4.249 0 1 HIAF CCOC(=O)[C@]1(c2c(O)[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587521204 AVJNTCRCKYUFQL-XMMPIXPASA-N 405.450 4.176 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2cccc(F)c2)c1 587571679 OFXBHOWSXFTYLX-NZQKXSOJSA-N 402.381 4.420 0 1 HIAF C[C@]1(CCc2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608424 KWWVBIBJDDKPMA-ZJSXRUAMSA-N 404.418 4.474 0 1 HIAF CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587612316 JFWXLQOFUSSZNI-PBHICJAKSA-N 400.843 4.260 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCN(C)N=O)(c2cccnc2)N1 587757353 UPNBKDLQKVBMKE-YJYMSZOUSA-N 421.314 4.154 0 1 HIAF CC(=O)N1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1 587771740 XHNLNDBQOWMIIY-ZSEKCTLFSA-N 417.322 4.118 0 1 HIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587932696 YLWLMZGUUCCXNY-MWTRTKDXSA-N 401.470 4.076 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587933077 TUSWMPIQMQZSDK-JTSKRJEESA-N 413.543 4.095 0 1 HIAF CC(C)(CC(=O)O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587955454 JZIMLBMEVVGVPS-UHFFFAOYSA-N 421.906 4.061 0 1 HIAF CN1CCN(C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)COC5=O)s3)cc2)CC1 653768377 SBLPMTQVBIEFHT-UHFFFAOYSA-N 418.518 4.140 0 1 HIAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@](C)(CC1CC1)N2C(=O)OC(C)(C)C 962703124 FPMIFQLZMCCDGF-DHIUTWEWSA-N 403.494 4.492 0 1 HIAF Cc1onc(-c2ccc(Cl)cc2)c1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963488859 GGDWUUNNTJQTTE-KSFYIVLOSA-N 412.873 4.180 0 1 HIAF Cc1ccc([C@]2(c3cccc(CN4CCCC4)c3)c3nn(C)cc3CCN2C)cc1C 963956582 YTLZHBJTEXXNIN-HHHXNRCGSA-N 414.597 4.413 0 1 HIAF CCC[C@H](C)Oc1ccc2c(ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn32)c1 1857570382 OYKYIDDSIKHZIX-SBUREZEXSA-N 405.542 4.484 0 1 HIAF CCNC(=O)c1cccc([C@](O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1 1857615422 FBHLLFHULGJEOS-XMMPIXPASA-N 419.912 4.261 0 1 HIAF CC(=CCCC(C)=CCCC(C)=CCCC(=CC[C@@H]1OC(=O)C=C1CO)CO)CO 2356566726 QYNVMFGBDSWBRM-DEOSSOPVSA-N 418.574 4.311 0 1 HIAF Cc1c(C(=O)NCCC(C)C)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc12 4826907 IZROPAGHPXYOQP-HOTGVXAUSA-N 420.575 4.184 0 1 HIAF O=S(=O)(c1ccccc1)c1c(C2=N[C@H]3CCCC[C@@H]3N2)[nH]c2ccc(Cl)cc12 6581582 UAYFIOZDCOFZEF-ROUUACIJSA-N 413.930 4.315 0 1 HIAF Cc1ccc(C)c(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)c1 7000406 AHUZVQNFIAGXQG-UHFFFAOYSA-N 410.468 4.487 0 1 HIAF O=C(c1cccc2ccccc12)c1cn2c3c(cccc13)OC[C@@H]2CN1CCOCC1 28763907 LNTMHDCIQZUWLN-IBGZPJMESA-N 412.489 4.291 0 1 HIAF COC(=O)c1cc(C(=O)O)ccc1NC(=O)Nc1nc2ccc(Cl)cc2s1 40764328 JAHLBCGFVWVELE-UHFFFAOYSA-N 405.819 4.079 0 1 HIAF O=C1NS(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2c1sc1ccccc21 40975381 VYZBYVFKDRCUKN-UHFFFAOYSA-N 413.307 4.203 0 1 HIAF CN(C)c1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)nc2)c1 45338247 SQTFNHIRFUUVSN-UHFFFAOYSA-N 417.440 4.015 0 1 HIAF Cc1ccc(C(=O)CSc2nnc(-c3cccc(NC(=S)N(C)C)c3)o2)cc1 73156928 RCPMKWQRFJSCPO-UHFFFAOYSA-N 412.540 4.278 0 1 HIAF CCOc1ccc(-n2c(S[C@@H](C)C(=O)OC)nc3c4ccccc4nc-3c2O)cc1 100705734 MKICPUOGMYTNBB-ZDUSSCGKSA-N 423.494 4.283 0 1 HIAF CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)SCCCc1ccccc1 100971826 OBUILUCOHWRGAN-GBESFXJTSA-N 401.572 4.264 0 1 HIAF O=C(OC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cc(CO)cc(C(=O)OC[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 101588481 NLHFLNGHBNUOLE-GHPWRHCUSA-N 412.526 4.365 0 1 HIAF COC(=O)[C@]1(/C=C\[C@@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2CCCO[C@@H]21 169351747 KAZMGBQDEYZMGJ-RBWUCYFISA-N 409.320 4.297 0 1 HIAF CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 169707016 QDDAIENJQSSXCW-INIZCTEOSA-N 424.451 4.116 0 1 HIAF CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 473132403 RTJRBYKZQSYWCM-UHFFFAOYSA-N 415.489 4.496 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(C)c(Br)cnc2[nH]1 586917679 UQBTWBZPUBLQCL-BFUOFWGJSA-N 400.276 4.245 0 1 HIAF Cc1cc(Br)c2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 587193651 CVRURQPOLUHQKV-CYBMUJFWSA-N 411.344 4.151 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccnc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239163 ISOYEOYVERUFKT-CJAGKMTESA-N 406.914 4.166 0 1 HIAF Cc1cc(C)cc(O[C@@H](C)C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587273682 NOVRQMBWABKOKU-LBPRGKRZSA-N 404.260 4.350 0 1 HIAF C[C@@]1(c2ccc(NC(N)=S)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587373781 IUKFVRBVLIFIGC-REWPJTCUSA-N 422.481 4.461 0 1 HIAF CN(C)CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587568672 CQTUTTFCSZVILB-RDGATRHJSA-N 419.477 4.426 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@]1(c2cccc(F)c2)CCOC1 587569601 INADHDGSFSNBLM-NKKJXINNSA-N 406.409 4.220 0 1 HIAF Cc1cc(C)nc(SC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587608486 QZTYSLJYYHUGLX-AVRDEDQJSA-N 408.479 4.312 0 1 HIAF CCOC(=O)C(Cl)(Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587687708 ZUVZDXLGKFOOFF-XLKFXECMSA-N 413.114 4.075 0 1 HIAF CCOC(=O)[C@]1(CCC(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587711097 VWHCUGFHQLLURJ-BJOHPYRUSA-N 412.221 4.223 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccco2)N1 587723194 VNGUZHFDQCUMDJ-XLFHBGCDSA-N 402.210 4.183 0 1 HIAF C=CN1CCCC[C@H]([C@@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587769122 XCCKVAGWMOLKSV-UYTHQXMGSA-N 421.354 4.500 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(C2CCOCC2)N1 587770668 BARUAIHHSZJDBQ-RBZFPXEDSA-N 405.311 4.188 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3n(C)c2=O)N1 587771982 UWUCHLWRGVYDRJ-WLRWDXFRSA-N 401.279 4.064 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3nc[nH]n3)o2)N1 587843276 IDGBQYHSZMHHJF-ANRSDYALSA-N 409.284 4.074 0 1 HIAF Cc1c(F)ccc2c1[C@H]([C@@H]1[C@H]3C=C[C@@H](C3)[C@H]1NC(=O)OCc1ccccc1)NCC2 962089051 FPQOONNKKHYSAB-LDIXRSFVSA-N 406.501 4.438 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cccn2-c2ccccc2F)N1 962702010 HHMSWGWKPUBAKP-LPHOPBHVSA-N 422.353 4.463 0 1 HIAF NCCOc1ccc([C@@]2(c3ccccc3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963097410 FAPHWDIZRMJAOR-NVQXNPDNSA-N 402.513 4.476 0 1 HIAF Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2ccccn2)cc1 1857596145 KVGHUYNUEYDBNL-WOJBJXKFSA-N 402.498 4.418 0 1 HIAF Cc1cc2nc(CO[C@H]3CN(Cc4cnc5ccccc5c4)C[C@@H]3F)[nH]c2cc1C 2356312277 MLYMHCGEUIFTSU-CVDCTZTESA-N 404.489 4.467 0 1 HIAF CC(C)C(=O)O[C@@H]1C[C@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@]21C 2356721921 SNZFZCATEUKWED-AUJWUZDFSA-N 406.563 4.275 0 1 HIAF Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc2ccc(NC(=O)CCC(=O)N3CCCC3)cc12 4881796 NUUPANDCLSUIAG-HDICACEKSA-N 422.573 4.367 0 3 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 772679 WVDHYDWJNMTVKR-UYAOXDASSA-N 411.914 4.392 0 1 HIAF CC(C)N1CC(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2112616 DEZYTGGBQKCPCL-MZNJEOGPSA-N 421.928 4.261 0 1 HIAF biogenic CC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2[C@@H](O)c2ccccc2Cl)C1 13442793 ZYJIBUSGJMVYSO-SFHVURJKSA-N 420.962 4.372 0 1 HIAF c1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1 13582668 OOFFIMNOURWPHS-UHFFFAOYSA-N 422.448 4.368 0 1 HIAF c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCn4ccnc4)cc3)c2)nc1 13684456 HYDHOIPUKQMAHM-UHFFFAOYSA-N 408.465 4.476 0 1 HIAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(C2=C(c3nnn[nH]3)CCC2)cc1 13725519 YPYNDJLRURPOSR-UHFFFAOYSA-N 412.925 4.028 0 1 HIAF Brc1cccc(Br)c1N(CC1CCCC1)C1=NCCN1 28230885 FURIAHZUOLBAGF-UHFFFAOYSA-N 401.146 4.167 0 1 HIAF CCNC(=O)N1CCC(Nc2nccc(-c3c(C(C)C)[nH]c4ccccc34)n2)CC1 28896646 GLLVHHZWPVUNED-UHFFFAOYSA-N 406.534 4.354 0 1 HIAF Cc1c(Cc2c(F)cccc2Cl)nc(SCC(=O)c2ccccc2)[nH]c1=O 40880600 ZYBYRGJWETWDKN-UHFFFAOYSA-N 402.878 4.437 0 1 HIAF CCCC(=O)N1[C@H](C(=O)OCC)Cc2c([nH]c3ccccc23)[C@@H]1c1cccc(O)c1 49807449 HCYQYDUEACJRJG-REWPJTCUSA-N 406.482 4.079 0 1 HIAF CCOc1ccc2c(=O)cc(CC)oc2c1COC[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 101983943 YJGZYZNCWNPGDN-ZEQRLZLVSA-N 414.498 4.393 0 1 HIAF CC(C)(O)C1CCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 139065513 BFMWYIYQFQLISR-UHFFFAOYSA-N 405.502 4.395 0 1 HIAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)cccc21 144407653 MKWILBSSUAVTRM-GOSISDBHSA-N 406.486 4.304 0 1 HIAF COc1ccccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1OC)CC2 169702193 XMUIWHWOKCWPBM-UHFFFAOYSA-N 413.481 4.404 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2C2CCCCCC2)c1 169707011 WYLATJRECDOEEC-LJQANCHMSA-N 408.546 4.473 0 1 HIAF COC(=O)c1ccc2c(N=O)c([C@@H]3C(=O)Nc4c(Br)cccc43)[nH]c2c1 169729490 IORXLELOZPDJSV-CYBMUJFWSA-N 414.215 4.199 0 1 HIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccc(O)cc3)CC[C@H]12 253749807 HMUJTAJHDZMXNI-VVUHAGMXSA-N 408.542 4.244 0 1 HIAF CCCn1c(C(C)(C)C)cc(C(=O)N[C@@H](CC(=O)O)c2ccc(OC)cc2)c1C 299858026 PQBPOBCLHYABRI-IBGZPJMESA-N 400.519 4.458 0 1 HIAF O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1Cc1nnc(-c2ccccc2)o1 473128627 DCYNZCSRFFGEDU-UHFFFAOYSA-N 407.433 4.071 0 1 HIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)cc1 586931401 SOUGBDLABXBGLG-UHFFFAOYSA-N 417.494 4.240 0 1 HIAF Cc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1Cl 586942375 DSICDMPBLJFPEU-UHFFFAOYSA-N 418.733 4.353 0 1 HIAF O=S(=O)(Cc1nc2ccc3c(c2[nH]1)CCCC3)Nc1ccc(N2CCCCC2)cc1 586951514 XAFUINCGLGTLOW-UHFFFAOYSA-N 424.570 4.374 0 1 HIAF CS(=O)(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586994454 SQWYAAYQQKMZEP-UHFFFAOYSA-N 416.458 4.190 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3cncc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl 587061005 HASXCQMOARGVEN-ORAYPTAESA-N 419.312 4.358 0 1 HIAF O=C1C[C@H](c2nc3cccc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587149060 LPYNHSILODKNGV-NSHDSACASA-N 406.230 4.120 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cccc(NC(N)=O)c4)[nH]c3c2)cc1 587241450 CVWRGSLFRUSZFV-UHFFFAOYSA-N 402.410 4.299 0 1 HIAF Cc1nn(C)c(C)c1[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331813 QUKNLOSVBNPHLQ-DENIHFKCSA-N 416.399 4.401 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2nc[nH]n2)(c2cccs2)[C@@H]1c1ccc(F)cc1 587371702 CVAOVRJNKZXNHL-WIYYLYMNSA-N 407.426 4.014 0 1 HIAF CC[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517478 NZZXKAMFFSXEDD-UPCLLVRISA-N 413.514 4.463 0 1 HIAF COC(=O)c1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 587586424 CFJLPVNELVPZQN-CVDCTZTESA-N 415.401 4.363 0 1 HIAF CCOC(=O)[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594706 HPCLTCWOAAVJHY-OFVILXPXSA-N 418.445 4.289 0 1 HIAF CC(C)Cn1cc([C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587719328 QEBJYEHGQWLJMR-BBATYDOGSA-N 416.285 4.484 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(C(N)=O)CC[C@@]2(C)C3(C)C)N1 587747286 LLEZDJSDKVORTB-YRZPBDNOSA-N 409.343 4.019 0 1 HIAF Cc1nn(-c2ccccc2)c(N)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753257 ATSIIMPOQCZNEK-WLRWDXFRSA-N 415.310 4.288 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O[C@H](C)C(=O)O)cc2)N1 587792141 LKJRAFLAHZUIFO-YRUZYCQGSA-N 408.267 4.064 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2C[C@H]2C(=O)O)N1 587825118 FUVMQUSUVUXZSB-HAYILDEMSA-N 404.279 4.087 0 1 HIAF COC(=O)c1oc2c(c1C)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587827560 KLTMQVNESGONBD-CFMSYZGJSA-N 422.294 4.390 0 1 HIAF CCOC(=O)[C@@H](COC(=O)c1ccccc1OC(C)=O)c1ccc(C(F)(F)F)cc1 653737736 LZSBYMHKEAJNTN-KRWDZBQOSA-N 424.371 4.134 0 1 HIAF O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/CCOc3ccccc3)O2)n1 653905726 GJEDKMXFVUIJBT-QEJOXDNVSA-N 415.511 4.084 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](Cc2ccc(F)c(F)c2)(c2ccccc2F)N1 962897309 KKRHMAQTRGIKJD-GMAHTHKFSA-N 415.386 4.328 0 1 HIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(F)c(OC3CCC3)c2)N1 962955986 AWWCZPYMNKRXNJ-BEFAXECRSA-N 411.807 4.377 0 1 HIAF COC1=C(c2ccccc2)Oc2cc(OC)ccc2[C@@]12NCCc1c(C)ccnc12 963077025 VDOBSWXKFHTFOS-VWLOTQADSA-N 400.478 4.196 0 1 HIAF CN1CCc2c(Br)cccc2[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]12 963270720 QXBZFBVHCFFLKO-RISOHXOYSA-N 407.352 4.019 0 1 HIAF COc1cc2c(cc1OC)CN(CCC(=O)c1ccc(Br)cc1)CC2 2633267 KLBLMDQIOIDOQH-UHFFFAOYSA-N 404.304 4.097 0 3 HIAF Cc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1N1C[C@H](C)O[C@H](C)C1 199269740 SRBIYLSAQZUJGW-QRVBRYPASA-N 403.567 4.054 0 3 HIAF FC(F)(F)c1cccc(NC2CCN(c3ccc(-c4ncns4)nn3)CC2)c1 602852 JRJUXDCXPWULRJ-UHFFFAOYSA-N 406.437 4.095 0 1 HIAF CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCOCCO)cc1 2483142 IBUXMIUOSHAJCG-UHFFFAOYSA-N 412.461 4.010 0 1 HIAF O=C(NCc1cccs1)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 8520244 QFFQWWIVYRJTGH-IRLDBZIGSA-N 413.502 4.016 0 1 HIAF biogenic COc1ccccc1C1=C(C(=O)O)[C@H](c2ccc3c(c2)OCO3)Oc2ccccc21 13473346 KKVYLLUXDOXQJX-QHCPKHFHSA-N 402.402 4.444 0 1 HIAF CCCCCc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)C3)cc1 28010938 BJFZJWWGJUHPTL-AIGDTVQASA-N 403.486 4.261 0 1 HIAF Cc1ccc(NC(=O)c2cnc(N3CCN(c4ccncc4)CC3)c(Cl)c2)cc1 45168840 RAIUHVDXHSZLCR-UHFFFAOYSA-N 407.905 4.017 0 1 HIAF CCOc1cc(CN2CCC[C@H](NC(=O)c3cncc(C)c3)CC2)ccc1Cl 58487550 QYPIBWMLKDIVCA-IBGZPJMESA-N 401.938 4.227 0 1 HIAF Cc1ccc(C(F)(F)F)cc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 95565856 GRSDJMHDBKSSGF-UHFFFAOYSA-N 414.786 4.182 0 1 HIAF Cc1ccc2nc(N3CCC(Oc4nccnc4C4CCOCC4)CC3)ccc2c1 96169021 VXAVGPQJSRKJLX-UHFFFAOYSA-N 404.514 4.275 0 1 HIAF O=C(NCCO)c1cccc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)c1 96906421 YKQKOWXCFYHZEG-UHFFFAOYSA-N 406.873 4.145 0 1 HIAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1ccc(Cl)c(F)c1Cl)C2 219525580 UOFXWGNDSFYNMP-VIFPVBQESA-N 420.275 4.208 0 1 HIAF CS(=O)(=O)c1ccc(N2CCN=C2c2ccc(Cl)c(C(F)(F)F)c2)cc1 299829818 MMJMCDHJIWTTJX-UHFFFAOYSA-N 402.825 4.029 0 1 HIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)cc1 586930222 ARXLULBWXSKQKE-UHFFFAOYSA-N 421.478 4.062 0 1 HIAF O=C(O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587027490 RDPULDDBRVZLCP-ZMYBRWDISA-N 409.511 4.398 0 1 HIAF Cc1cc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)n2n1 587349066 TWUNIGRREOPMCT-ISKFKSNPSA-N 417.440 4.465 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc3c4c(c(=O)oc3c1C)CCC4)O2 587410187 VXTUQKWXMIBOHC-VWLOTQADSA-N 419.477 4.284 0 1 HIAF COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2sc3ccccc3n12 587452495 NNMNWVSDDBZFRB-LRTDBIEQSA-N 419.458 4.438 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCO)cc1Br)CC2=O 587455406 BMYQVQWBPFMDHL-LJQANCHMSA-N 421.287 4.185 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587519352 ZWVPVOSAHOFRIK-IAGOWNOFSA-N 413.514 4.068 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC(O)CC2)cc1 587582885 OVYKKCZVNCSHNF-RCZVLFRGSA-N 417.461 4.056 0 1 HIAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1OC 587589817 AMVYUDDVKSTMRJ-MBSDFSHPSA-N 408.406 4.126 0 1 HIAF CCn1cc([C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587713480 DCKSPAVWODNHOA-HUTHGQBESA-N 402.258 4.156 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(C(=O)O)N1 587735137 PLMMALNVLHOTDI-UOAFAEJXSA-N 408.242 4.255 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C(=O)OC(C)(C)C)nc1 587871059 YDBIRMFWYWZPML-UHFFFAOYSA-N 411.433 4.127 0 1 HIAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccccn4)cc3)c2)c1 653864182 XYMIRODCWAPIPL-UHFFFAOYSA-N 424.460 4.074 0 1 HIAF CN(C)c1cccc(Cl)c1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962703978 TXQHWCQKLQBKIC-WMLDXEAASA-N 416.802 4.252 0 1 HIAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(Nc3ccccc3F)c2cn1)c1ccccc1 1772626056 PQAPGWBWEVOVLM-LJQANCHMSA-N 420.448 4.350 0 1 HIAF CCOC(=O)C1=CN(C(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccccc1C 1857615888 ZIUSDKARSQZQCG-UHFFFAOYSA-N 419.477 4.129 0 1 HIAF CCCC(=O)O[C@]1(C)CC[C@H](O)[C@](C)(O)C[C@H]2O[C@H]1[C@@H]1[C@H](C(C)C)CC=C(C)[C@@H]21 2356609889 AOODOWQDWVZWQC-IOHOPPNQSA-N 408.579 4.006 0 1 HIAF CC=C(C)[C@@H]1[C@H](C=CC=C(C)[C@H](O)[C@H](C)C(=O)O)[C@@H]2CC=C(C)C[C@H]2C(=O)[C@@]1(C)O 2356827685 IOLXKDOORRFLDI-IFAPBMJVSA-N 416.558 4.075 0 1 HIAF CC[C@@H](C)C=C(C)c1cc2cc3c(c(O)c2cn1)C(=O)[C@@](O)(CC(C)=O)C(OC)=C3 2356871886 YMENRVORZPDFTB-YEBMWUKDSA-N 409.482 4.284 0 1 HIAF Cc1ccc(SCCN2CC[C@H](NC(=O)OCc3ccccc3)CCC2=O)cc1 15934992 PYSMSIXECWHEAN-HXUWFJFHSA-N 412.555 4.395 0 3 HIAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1c(-c2ccccc2)noc1C 13212387 ODOXTRYGHUAHES-XLIONFOSSA-N 410.470 4.225 0 1 HIAF CC1(C)c2[nH]c3cc(Cl)c(Cl)cc3c2C[C@@]23CN4CCC[C@]4(C[C@H]12)C(=O)N3 14585649 GZGGCZADGIBRHT-HBGVWJBISA-N 404.341 4.032 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H](COS(C)(=O)=O)[C@]4(C)CC[C@@H]32)C1 33392629 SBINUGUVXWZQRO-ZGIWMXSJSA-N 424.603 4.473 0 1 HIAF biogenic C[C@H]1CN(CCc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 72135079 AZYFXFAFEPHTTK-KXBFYZLASA-N 415.331 4.115 0 1 HIAF Cc1cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n2nc(-c3cccc(F)c3)cc2n1 72181545 VHWJTMPXAGEPLP-QGZVFWFLSA-N 411.481 4.265 0 1 HIAF Brc1ccccc1-c1nc(CN[C@H]2CCN(Cc3ccccc3)C2)co1 72186617 HZEZQAQTQXPWOE-KRWDZBQOSA-N 412.331 4.468 0 1 HIAF COc1ccc(Oc2nc(NCc3ccco3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 82066702 RUQSOMIJRQDZLF-HZPDHXFCSA-N 409.490 4.360 0 1 HIAF Cc1cc(OCc2cnnn2-c2ccccc2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 95598294 SHORTMJAJKHQSN-RWAHWCJQSA-N 403.482 4.260 0 1 HIAF CC(C)Oc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175209 WJLQDOOELRWEQR-BEFAXECRSA-N 410.539 4.148 0 1 HIAF Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(/C=C/C(=O)O)c(C(=O)O)c1O 103242032 MKNIXRHHAJLGLW-ZHACJKMWSA-N 405.406 4.275 0 1 HIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2nccs2)n1 167535154 HOHUOHPDNVNIFD-QGZVFWFLSA-N 409.511 4.476 0 1 HIAF Cc1ccc([C@H](CNC(=O)c2cccc(F)c2Cl)N2CCC(F)(F)CC2)cn1 207640574 IWMLZDIDWYRXSJ-KRWDZBQOSA-N 411.855 4.385 0 1 HIAF N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cscn1 223674115 OZNUCOJZXZDKON-AWEZNQCLSA-N 422.583 4.071 0 1 HIAF COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c(F)c1 299857234 DYLBGGZZZOJTJF-SDHSZQHLSA-N 421.512 4.274 0 1 HIAF Cc1cc(C)c2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)[nH]c2c1 586944186 NMOANSDRXWVFHM-UHFFFAOYSA-N 411.552 4.429 0 1 HIAF Cc1ccnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc12 586970028 SINMYIRISAJXSL-HUUCEWRRSA-N 420.542 4.115 0 1 HIAF C[C@]1(c2nc3cccc(I)c3[nH]2)C=C(c2ccccc2F)NO1 587156759 PSVAJFCMLCQIFX-QGZVFWFLSA-N 421.213 4.098 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2cc(F)c(F)cc2[nH]1)c1ccc(F)cc1 587171231 NCVODQKQRIXTLG-UHFFFAOYSA-N 403.385 4.448 0 1 HIAF CCOc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587351866 VMDYOFJEXARQME-URXFXBBRSA-N 419.408 4.137 0 1 HIAF COc1cc2c3c(c1)O[C@@](CSc1nncs1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427640 JQDDWOVMTKHFBU-YWZLYKJASA-N 414.483 4.121 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC[C@H](NC(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 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C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ncccn2)N1 587734579 OCOVWSHZQQAIJI-FKIZINRSSA-N 416.269 4.343 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c1 587933082 TUSWMPIQMQZSDK-VGSWGCGISA-N 413.543 4.095 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1ccc(CO)cc1 963862578 CENCGQJSLRGJGR-KNQAVFIVSA-N 411.498 4.213 0 1 HIAF C[C@H](Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12)c1ccccn1 1772624215 ZHAUCJMQNQQYBP-CABCVRRESA-N 401.474 4.409 0 1 HIAF COc1ccc(-c2nc(C)nn2-c2cccc(C(=O)NCCc3cccs3)c2)cc1 1857581623 RMCDFEGGRWJYFT-UHFFFAOYSA-N 418.522 4.285 0 1 HIAF Cc1nnn2c1-c1ccc(-c3ccc(=N)[nH]c3)cc1C(c1ccc(Cl)cc1)=NC2 1857648161 LFYIRPFVXYEFDG-UHFFFAOYSA-N 400.873 4.190 0 1 HIAF CC(C)COc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@H]2C(=O)O 1857763907 OOUXWICZLPIOGV-IBGZPJMESA-N 409.507 4.359 0 1 HIAF 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@@]1(O)CCCCO 2356689282 DJVDLKHAJBHWLE-OYDXBIJKSA-N 418.618 4.422 0 1 HIAF CC(C)CCCCCCCCC[C@@]1(O)C=C[C@H]2N(CCCCNC(=N)N)CCCN21 2356827908 IQMRXJMUTRVBJS-LADGPHEKSA-N 421.674 4.009 0 1 HIAF Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1CCc1ccccc1-2 26250986 BFYMVOWCLOXNPT-UHFFFAOYSA-N 413.518 4.289 0 1 HIAF O=S1(=O)N=C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c2ccccc21 40865435 FJNPHPIOKAVUCR-UHFFFAOYSA-N 418.449 4.210 0 1 HIAF CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C 43102389 IMSKTQNPYUKZMB-AMMWCUJOSA-N 414.542 4.082 0 1 HIAF COc1cccc(Nc2nccc(NC[C@@H](O)c3cccc(C(F)(F)F)c3)n2)c1 45167229 BZOJYHGLQFLMJE-QGZVFWFLSA-N 404.392 4.393 0 1 HIAF CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C(N)=O)cnc4ccccc34)c2)c1 45384959 BRIMRPVALXEWHB-UHFFFAOYSA-N 418.474 4.197 0 1 HIAF CCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C2CCC2)C1 72126125 NYSLMHQFHWJZAJ-JOCHJYFZSA-N 402.542 4.423 0 1 HIAF Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)NCC4CCCCC4)C3)co2)cc1 82069345 TVEAOUHSIIVITM-HXUWFJFHSA-N 409.530 4.199 0 1 HIAF CC(C)CNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](CCCc4ccc5c(c4)OCO5)[C@H]4[C@@H]1C=C[C@H]2[C@@H]34 101440794 MZNYKIXDEPFZJF-VOMQUASUSA-N 407.554 4.441 0 1 HIAF CN(C)Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1 103294152 WIUYFJQWJMBTCE-OALUTQOASA-N 417.538 4.490 0 1 HIAF COCc1c(-c2nc(-c3ccc(/C=C/C(=O)O)cc3)no2)cnn1C1CCCCC1 114563074 CQVANMOSESXKBK-FMIVXFBMSA-N 408.458 4.350 0 1 HIAF CCOC(=O)C1=C[C@H](c2ccc(Br)cc2)[C@H]2C(=O)CC(C)(C)CC2=N1 169723789 HOFOTNXVWIWZLG-RDTXWAMCSA-N 404.304 4.440 0 1 HIAF Clc1ccc(OCc2nc3nc(Br)c[nH]c-3n2)c(Br)c1 586977969 UFGDSHSMVSJKAF-UHFFFAOYSA-N 418.476 4.062 0 1 HIAF CC(=O)N[C@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 586983879 AEZJGEKYAJHRPC-GFCCVEGCSA-N 412.209 4.163 0 1 HIAF CC1=C(c2ccc3nc(-c4csc(-c5ncccc5Cl)n4)[nH]c3c2)NNC(=O)C1 587018003 VEKNONFLXBTHSQ-UHFFFAOYSA-N 422.901 4.157 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346387 MGGFXBCMDPMUDR-RDPSFJRHSA-N 421.424 4.457 0 1 HIAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(OC)c4ccccc14)[C@@H](C2)C3=O 587440819 CWMAMNVLBBSRJZ-DFBJGRDBSA-N 418.445 4.365 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(CO)cc21 587489515 NSHBTDVYYQHPGE-AREMUKBSSA-N 414.457 4.290 0 1 HIAF C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511546 LOSIJSYXMVQJJL-KFSOKAEPSA-N 415.530 4.219 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587549852 SBXYOAXABKGVGQ-QKAVXHIFSA-N 418.392 4.091 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)c(O)c1 587555715 LTSNZJUFAGTCFY-XLIONFOSSA-N 400.333 4.402 0 1 HIAF C[C@@H]1CN(Cc2ccccn2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581341 HBYNTKLYQFBDIM-CFRFINDLSA-N 416.477 4.030 0 1 HIAF COC(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(OC)c1 587655961 FBMRSOKFPJBACA-UHFFFAOYSA-N 422.387 4.126 0 1 HIAF COc1ccc2c(c1)nc([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)n2C 587755224 GXCYBGYVCPDAMA-YPMLDQLKSA-N 404.283 4.107 0 1 HIAF COCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587796938 UNAPJLRLAGKUIY-YUNKPMOVSA-N 424.310 4.246 0 1 HIAF COc1cc(OC)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805802 HVKABPFJFXHECA-GIPWTMENSA-N 424.310 4.412 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1[nH]c2ccccc2c1N 587863011 AQENTKGDNNQKTL-UHFFFAOYSA-N 400.360 4.330 0 1 HIAF COc1ccccc1O[C@H](C)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867263 ANCHBIKXCDTLFU-GFCCVEGCSA-N 421.375 4.089 0 1 HIAF COc1ccc(CCCc2nc3ccc(I)cc3[nH]2)cc1OC 587925898 SQUHKSFQUROBOU-UHFFFAOYSA-N 422.266 4.360 0 1 HIAF COc1cc2c(cc1OC)[C@@](C)(c1ncc(Br)cc1C)N(C)[C@@H](C)C2 962620431 HNVLYBDKLJIOBY-RBZFPXEDSA-N 405.336 4.310 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1c(-c3ccc(F)cc3)nc3ccccn13)NCC2 962930575 YQMPKBXQFFKYSJ-QHCPKHFHSA-N 414.484 4.077 0 1 HIAF Cc1ccc([C@]2(c3c(N)sc(C)c3C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963472172 PCOOBFNVBZVAHQ-UUOWRZLLSA-N 422.550 4.160 0 1 HIAF COc1ccc(Cl)cc1Nc1nc(C)c([C@@]2(C)c3c(cnn3C)CCN2C)s1 963955711 RTMXVEUELNYVDZ-HXUWFJFHSA-N 417.966 4.342 0 1 HIAF OCc1csc(-c2csc(-c3csc([C@H](O)Cc4ccccc4)n3)n2)n1 1772607899 QPZRITCODWPMIN-OAHLLOKOSA-N 401.538 4.159 0 1 HIAF CC(C)c1nc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2ccc3c(c2)OCO3)s1 1857566273 BCWDGFBHCAATFE-UHFFFAOYSA-N 424.478 4.321 0 1 HIAF COc1cc([C@H]2OC[C@H]3[C@@H]2CC[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 2356470597 HERNELJRDZIRJX-DBSBEYGCSA-N 416.470 4.014 0 1 HIAF CC(=O)CC1=C(C)C=C2C[C@H](C)C(=O)[C@H](C)[C@@H]2[C@@H]1C=C(C)[C@@](C)(C=CC(=O)O)CO 2356593960 CHUCWMVYHNBUQI-UEMXKOMCSA-N 414.542 4.285 0 1 HIAF O=C(Cc1cccs1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 4375096 PEHHTSSJQUEPNT-UHFFFAOYSA-N 403.960 4.416 0 3 HIAF O=C(Nc1ccncc1)c1cc([C@H]2CCCCN2C(=O)CCCc2ccccc2)on1 61925679 VGRYRTAWBFQZNP-OAQYLSRUSA-N 418.497 4.398 0 3 HIAF Oc1nc(S)nc2c1[C@@H](c1ccc(F)cc1)O[C@H](CCOCc1ccccc1)C2 169304291 SRHCTTFBSSIYQM-YLJYHZDGSA-N 412.486 4.248 0 3 HIAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCC2)[C@H]1c1cn(C)c2ccccc12 2468765 YTNSPQYPXNHFGZ-XZOQPEGZSA-N 401.510 4.148 0 1 HIAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(C(C)C)cc1 4049128 BUHLZPDPKUMJCR-LADGPHEKSA-N 407.558 4.360 0 1 HIAF O=C1N(Cc2cc3ccccc3s2)C[C@H]2CN(Cc3ccc(F)c(F)c3)CCN12 45315067 WHADIMBJNQEPIY-QGZVFWFLSA-N 413.493 4.302 0 1 HIAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@]1(C)c1cccc(C(F)(F)F)c1 73167305 ZUDXFSXGZSJDTO-LEWJYISDSA-N 422.399 4.278 0 1 HIAF CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1ccc(O)cc1)CC3=O)C[C@H](C(C)(C)O)O2 85997684 WHZASJDTVMUREZ-WOJBJXKFSA-N 424.493 4.387 0 1 HIAF CC(C)c1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1 95572773 GXJQVABKDDLQOJ-UHFFFAOYSA-N 407.514 4.248 0 1 HIAF Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4n[nH]c(=O)n4C=N[C@@H]32)cc1 98085192 KPZOFQJHILWGHO-ISKFKSNPSA-N 419.488 4.268 0 1 HIAF CCOC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1cccc(OC)c1 100705508 PQZUOMBINYBFLR-ZDUSSCGKSA-N 423.494 4.283 0 1 HIAF Cc1ccc(-n2ncc3c2C(C)(C)CCN(C2[C@@H]4CC5C[C@@H]2CC(O)(C5)C4)C3=O)cc1 101668446 PIPBSWYQEPJYPD-HYVWSRJXSA-N 419.569 4.244 0 1 HIAF O[C@@H](CNc1cc(-c2ccc(OCC(F)(F)F)c(F)c2)ncn1)c1ccccc1 103261208 JQKJJWXGOQEYII-KRWDZBQOSA-N 407.367 4.369 0 1 HIAF O=C(Nc1ccc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1)N1Cc2ccccc2C1 166011933 VTCOREYAXFBHME-QHCPKHFHSA-N 419.525 4.119 0 1 HIAF O=C(/C=C\c1ccc(Cl)c(Cl)c1)NC1CCN(Cc2cccc(O)c2)CC1 206922677 CBLHSXGKTKQLKV-ALCCZGGFSA-N 405.325 4.493 0 1 HIAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)[C@@H](OC)O1 238746576 YCGYYZXBHVNOIX-YELFZQJRSA-N 424.578 4.444 0 1 HIAF COc1cc(Br)c([C@H](N)c2nc3cc(Cl)cc(F)c3[nH]2)cc1OC 586977224 ZRZHXUVSDWALHZ-AWEZNQCLSA-N 414.662 4.183 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587003549 LUIYXWBJAJRQHO-UHFFFAOYSA-N 405.639 4.309 0 1 HIAF Fc1cc(C(F)(F)F)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 587007316 ZVUHJXRLLXRHAM-UHFFFAOYSA-N 400.133 4.193 0 1 HIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)cs1 587019685 UJPDVIHOZDRPNC-UHFFFAOYSA-N 411.418 4.092 0 1 HIAF CC(C)CCOc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1Br 587027423 CNFKZPXIPLYBNV-CYBMUJFWSA-N 409.353 4.449 0 1 HIAF COc1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 587139997 CRCNMEIQKGQCNJ-UHFFFAOYSA-N 415.421 4.318 0 1 HIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587260436 XQDVJMFQBLZOEA-AWEZNQCLSA-N 422.407 4.168 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cnn[nH]2)[C@@H]1c1ccc(F)cc1 587332868 KFZRJVAWNJLYLI-GGAORHGYSA-N 419.387 4.091 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3NCCc4cccc2c43)[C@H]1c1ccc(F)cc1 587346573 JLNIECWKWJTOGD-PBXXJUDPSA-N 401.437 4.376 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587381729 KLRSSSRRZHERFW-HXUWFJFHSA-N 407.388 4.410 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(F)c(Cl)c3)nn1)CC2=O 587467009 PKDUHLYLWPHFIU-IBGZPJMESA-N 401.825 4.424 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587474825 HOHXWUGANBMYDT-MBSDFSHPSA-N 419.518 4.441 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(C)cc1C)CC2=O 587478391 FXBGFIOILHPTDW-VWLOTQADSA-N 424.493 4.345 0 1 HIAF COc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587581603 WOPDYDAEXGIPMQ-QPPBQGQZSA-N 419.433 4.150 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(N)c(F)c2F)N1 587720737 OADIJPWAZDBOCQ-BWKAKNAASA-N 403.217 4.385 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccc(F)cc2)N1 587729230 CLCVUFDHXBXEKV-VPRXMMIXSA-N 408.242 4.146 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)N1 587764902 AIICEYGHMWPCEN-BUXKBTBVSA-N 413.331 4.349 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C2/C(=O)N(C)c3ccccc32)N1 587773330 YHKZQRPRMYOFDV-SKHUFPHQSA-N 415.306 4.398 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)sc(=O)n3C)N1 587857231 PYWWFUSXPBFXNK-XYZCENFISA-N 407.308 4.125 0 1 HIAF CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(-c3ccccc3)nc12 653722054 RIIBZAQEPLXYLW-UHFFFAOYSA-N 421.545 4.201 0 1 HIAF O=C(O)c1cccc2c1CCN[C@]2(c1ccc(Br)c(F)c1)C1CCC1 963133930 UWJDRFYEXLGECH-FQEVSTJZSA-N 404.279 4.476 0 1 HIAF Cc1ccnc2c1c([C@@H]1N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c31)cn2C 963183085 SFFLCJDWVHEXSR-GUYCJALGSA-N 423.822 4.242 0 1 HIAF CCCOC(=O)C[C@@]1(C)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963903647 CPVOJVSXJPZLDD-HXOBKFHXSA-N 419.518 4.190 0 1 HIAF CC(C)[C@@H]1CC[C@]2(C)[C@H](O)[C@@H]3[C@H](C)CC[C@@]45[C@H](CC[C@H]4C)[C@]5(C(=O)O)[C@@]3(O)C[C@H]12 2356429428 UNEUBHPEGNVSJI-FOXJXKLBSA-N 404.591 4.334 0 1 HIAF O=C1C[C@H](S(=O)(=O)c2ccccc2)[C@@H](/C=C/c2ccccc2)N1Cc1ccccc1 206020873 BTRPPTXEIGTHNY-RKEDLRMNSA-N 417.530 4.343 0 3 HIAF CCc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)cc1 13761457 FWUORMCJYYFPAJ-AREMUKBSSA-N 414.457 4.376 0 1 HIAF COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)c(C)c1 15064083 MLSKNHKQNXOHDN-QGZVFWFLSA-N 424.497 4.003 0 1 HIAF CCN(CC)C(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCc3cccnc3)c(C)c2[C@@H]1O 25204714 FIDZKKFSCPKGJD-QATBIIFWSA-N 410.558 4.378 0 1 HIAF biogenic CCCCC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N21 26950965 VXZPZDGVAUGUMM-VJBWXMMDSA-N 415.537 4.284 0 1 HIAF CN(C(=O)Cc1cccc2ccccc12)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1 29569564 FOQROCUUQJEYDF-KYPHJKQUSA-N 406.570 4.407 0 1 HIAF O=C1NC(=O)c2c1c(-c1ccccc1Br)cc1[nH]c3ccc(O)cc3c21 34804188 CLAKPKYHIPFMHD-UHFFFAOYSA-N 407.223 4.340 0 1 HIAF C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1Cl 38359585 ZKYYQUBPGDYWFP-AWEZNQCLSA-N 422.978 4.429 0 1 HIAF COc1ccc(Nc2nccc(NCCNC(=O)c3cc4ccccc4s3)n2)cc1 45190368 MLOJEDAZGQKCGG-UHFFFAOYSA-N 419.510 4.285 0 1 HIAF Oc1ccc(CN(Cc2ccc(O)c3ncccc23)C[C@@H]2CCCO2)c2cccnc12 49048472 ZMQNKWCTGZAYCR-IBGZPJMESA-N 415.493 4.375 0 1 HIAF CCNc1nc2sc(-c3cccc(C(C)(C)NC(C)=O)c3)nc2c2c1ncn2C 66258609 YGIHOHFWAITTCE-UHFFFAOYSA-N 408.531 4.048 0 1 HIAF COc1cc2ncnc([C@@H]3CC[C@H](Oc4cnc5ccccc5n4)C3)c2cc1OC 72181765 FIGRQWQPUOIWBU-CABCVRRESA-N 402.454 4.305 0 1 HIAF O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085227 JVTRJAPKNPMEDH-NRFANRHFSA-N 415.449 4.009 0 1 HIAF COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Nc5cccc(F)c5)C[C@@H]3N4)cc2)cc1 100101841 MLSDHESDAOVLFZ-UBRQYEGLSA-N 417.484 4.473 0 1 HIAF CCOC(=O)C1=C(O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)N=C1C 101970693 VYJOFQXHRHFWMJ-MOSHPQCFSA-N 420.465 4.203 0 1 HIAF COc1ccc(C2(c3ccc(OC)cc3)NC(=N)N(C3CCCCCC3)C2=O)cc1 103243746 CKVZQHKUPXQHQY-UHFFFAOYSA-N 407.514 4.037 0 1 HIAF O=S(=O)(Nc1ccc(C(F)(F)F)c2cccnc12)c1ccc(C(F)(F)F)nc1 141818006 VTGJQWUOGSJTNX-UHFFFAOYSA-N 421.322 4.468 0 1 HIAF CC(C)OC(=O)N1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 143346487 OXKLOXKYKSQJDQ-OAQYLSRUSA-N 420.431 4.132 0 1 HIAF Cc1nc2ccccc2nc1N[C@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 146669276 UUBRGIQNDRIPIE-OAQYLSRUSA-N 420.513 4.342 0 1 HIAF CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@@H]1[C@H]2CN(CC(F)F)C[C@H]21 148067769 YSCUDZSKNZANRD-PBKGOJFUSA-N 415.410 4.037 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(C)c2C)c1 169707242 JWWLBIIOTMTHOV-FQEVSTJZSA-N 416.525 4.183 0 1 HIAF COC(=O)[C@H]1N[C@@H](c2ccccc2)c2c1c(O)n(-c1ccc(Cl)c(Cl)c1)c2O 169717954 GEMYJIADYZLHLI-IRXDYDNUSA-N 419.264 4.102 0 1 HIAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13C[C@@H](C=C[C@@H]21)[C@](C)(O)C3 238749659 JUJCSASCNCKTOP-GONVZRJHSA-N 404.547 4.031 0 1 HIAF C/C=C/C=C/C[C@@H]1C[C@@H]2C=CC(C)=C[C@H]3C=C[C@@H](O)[C@@H](O)[C@@H]3C(C)=CC=C[C@H]2C(=O)N1 255271461 UIBDXMJAGQYGAG-UPIPZTAOSA-N 421.581 4.172 0 1 HIAF Cc1cc(-c2cnnc3ccccc23)cnc1N1CCC(O)(c2ccc(F)nc2)CC1 299871195 YANHVQROPOYFFU-UHFFFAOYSA-N 415.472 4.022 0 1 HIAF COC(=O)c1ccnc2[nH]c(COc3ccc4ccccc4c3Br)nc12 587002138 UHQAKWQUKIUNFS-UHFFFAOYSA-N 412.243 4.239 0 1 HIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cs1 587014714 XLKUHFNYNUGDMC-UHFFFAOYSA-N 400.291 4.413 0 1 HIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)s1 587023089 JRPIBDMZYAWLAO-UHFFFAOYSA-N 400.439 4.358 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(CCC(=O)c3ccc(F)cc3)nc2c1 587162050 GYHKTIIIYSMSAW-UHFFFAOYSA-N 405.223 4.067 0 1 HIAF Cc1cc(C)c2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352801 XSVQQTQWZHBYMY-ZJSXRUAMSA-N 403.409 4.355 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@H](C(=O)O)c3ccccc3)c1)O2 587398973 HAFNMNRDBVTBQE-VXKWHMMOSA-N 403.434 4.488 0 1 HIAF COc1ccc(C(=O)[C@@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402587 FKLWYARSJCONSU-VWLOTQADSA-N 417.461 4.338 0 1 HIAF COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@H](c1ccccc1)O2 587407828 FDNKTBYKUQWIBE-WIOPSUGQSA-N 415.445 4.149 0 1 HIAF CCCc1c(O)ccc2c1O[C@](/C(=C\N(C)C)C(=O)OCC)(c1ccccc1)CC2=O 587470355 SRQZHVBENRMICY-FMSWRSJMSA-N 423.509 4.214 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ncccn1 587569975 JRVRJEQDXNRNAT-HYBUGGRVSA-N 414.392 4.227 0 1 HIAF COc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)nc2c1 587587902 QQUANBXUDKQCOI-NFBKMPQASA-N 415.401 4.358 0 1 HIAF C[C@H](Oc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C(=O)O 587592357 GSCUFGPJFLZVGM-KVGGTASHSA-N 420.417 4.121 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587741699 ICGORXBRCKZYPX-BIBXISHDSA-N 419.294 4.107 0 1 HIAF CC(C)(C)C[C@]1(c2ccccn2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636155 PFLMNARBUQEVRP-VBKZILBWSA-N 408.420 4.259 0 1 HIAF COC(=O)c1ccc(F)cc1[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962639549 QRGNZKAOVLXXGA-PXDATVDWSA-N 416.496 4.449 0 1 HIAF C[C@]1(Cc2c[nH]c3cccc(F)c23)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962659438 FLKQGIXIWNETEB-DQEYMECFSA-N 417.484 4.412 0 1 HIAF N=c1nc(N(Cc2ccccn2)Cc2ccccn2)cc(-c2ccccc2Cl)[nH]1 1857573990 FICJFODAMAGNAQ-UHFFFAOYSA-N 402.889 4.206 0 1 HIAF COc1cc(O)c(C(N)=O)c2oc(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)c(C)c12 1857769637 UDFVGMIQOAJRHP-UHFFFAOYSA-N 422.359 4.134 0 1 HIAF Cc1ccc2nc(C[C@@H]3CN(CCCc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356743323 SSILYJNJNZSLEU-NHCUHLMSSA-N 405.542 4.459 0 1 HIAF CC(C)n1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 12208456 QYGNWSDONLITFZ-UHFFFAOYSA-N 409.559 4.438 0 3 HIAF CC(C)C(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccc(F)cc1 2456304 DQGJZRYEMPQATI-GOSISDBHSA-N 405.267 4.114 0 1 HIAF CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 5070434 QQKDGLWBCARLBX-RXVVDRJESA-N 412.505 4.127 0 1 HIAF CCCCCC(=O)Nc1ccc2ccn(Cc3ccc(-c4nnn[nH]4)cc3OC)c2c1 26489077 NKAOESPZFIJXCB-UHFFFAOYSA-N 418.501 4.397 0 1 HIAF O=C(NCCN1CCN2c3ccccc3CC[C@H]2C1)c1ccc(-c2ccccc2)cc1 28343966 GNHRYMJMOSTLHZ-VWLOTQADSA-N 411.549 4.220 0 1 HIAF COc1cc(C(=O)O)ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12 29477791 UJNYNVXGEOYVOG-UHFFFAOYSA-N 423.469 4.362 0 1 HIAF CN(C)CCCn1c(CN2CCC[C@@H]3CCc4cccnc4[C@H]32)nc2ccccc21 36486546 RIBOGSNJCBYELS-NLFFAJNJSA-N 403.574 4.283 0 1 HIAF CCCN(CC1CC1)c1ncc(-c2cccc(CNCC[C@H]3CCCN3C)c2)cn1 45167984 HMBREJCXKAPQSA-XMMPIXPASA-N 407.606 4.344 0 1 HIAF COc1ccccc1COC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 66129537 ALWIFUQPQUJBPG-UHFFFAOYSA-N 417.417 4.404 0 1 HIAF Nc1cc(C(=O)N[C@H]2c3ccccc3-c3c(-c4nc5cnccc5[nH]4)cccc32)ccn1 72318451 MLQIPNRXDPWOES-QHCPKHFHSA-N 418.460 4.102 0 1 HIAF CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 95874466 WHIDLAPBXJGMLF-ZYUJDNHVSA-N 404.554 4.018 0 1 HIAF Cc1cccc(-c2csc(Nc3ccc(CCN4CC[C@H](O)C[C@@H]4CO)cc3)n2)c1 96274019 IBHUFYAAAUYTER-YADHBBJMSA-N 423.582 4.222 0 1 HIAF CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2 101060595 AKVQJIISOMHZTO-XSDIEEQYSA-N 401.453 4.143 0 1 HIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC[C@@H](C)O)no2)cc1C#N 198817772 FBXBFQOUAAFYCM-VFNWGFHPSA-N 418.497 4.020 0 1 HIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1OCCCC(F)(F)F 223851147 QGRSBMGQNLDEPE-UHFFFAOYSA-N 408.298 4.367 0 1 HIAF CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)[C@H](C)F)cc3)C2)ccn1 261129275 KTXAIHNWJXPDOK-XGHQBKJUSA-N 415.509 4.062 0 1 HIAF [O-][n+]1ccccc1SCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586969206 IDVXKOSAKXSNSX-UHFFFAOYSA-N 404.211 4.270 0 1 HIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)C(F)(F)C1 587132112 KDTLCFLORMAFIQ-VIFPVBQESA-N 407.339 4.431 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2ccc(Cl)nc2[nH]1)c1ccc(F)cc1 587170705 GBLRMZYFAYLUNP-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF Ic1cccc(/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)c1 587183855 JYLWWSCJHWXJRP-PLNGDYQASA-N 404.207 4.109 0 1 HIAF O=C(O)Cc1c(-c2ccc(I)cc2)nc2cccc3c2c1CC3 587212723 KYHWCDAQGHNOFE-UHFFFAOYSA-N 415.230 4.232 0 1 HIAF CCOc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344075 BUELIATXJHQRFN-URXFXBBRSA-N 419.408 4.137 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)([C@H]1CCCO1)[C@@H](C2)C3=O 587417822 MMRYZZIOGXUOFD-YRISNDGFSA-N 415.283 4.280 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccc(F)cc1C(=O)O)[C@@H](C2)C3=O 587425456 CTJUOJPVSDYUCZ-YADARESESA-N 422.383 4.363 0 1 HIAF COc1cc2c3c(c1)O[C@@](Cc1ccnc(SC)n1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428681 NZGXBVPDDVNXQE-MBSDFSHPSA-N 422.481 4.232 0 1 HIAF COc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 587444143 SKPWEPANJFFOHV-NLFFAJNJSA-N 402.446 4.404 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn3c(C(F)(F)F)ccnc13)CC2=O 587464344 OLBYLRUGLPRKMI-HNNXBMFYSA-N 405.376 4.421 0 1 HIAF O=C1C[C@H](c2sc(N3CCOCC3)nc2Cl)Oc2c1ccc1c2CCCC1 587536666 YYOWGNIQDZKDFU-MRXNPFEDSA-N 404.919 4.218 0 1 HIAF COc1ccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O 587592265 JPZDJVVWTYXRIP-ZJSXRUAMSA-N 406.434 4.460 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)oc3ccc(F)cc3c2=O)N1 587729314 GYFUZTJAXJYHBM-CQLKUDPESA-N 421.241 4.040 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCC(=O)O)c2)N1 587797023 VDRHRSSYXIAYHW-YUNKPMOVSA-N 422.294 4.455 0 1 HIAF CCOC(=O)C[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587849388 UBJHCAFMGFWWMO-ADLMAVQZSA-N 412.324 4.381 0 1 HIAF CC(C)(C)C[C@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636153 PFLMNARBUQEVRP-JLTOFOAXSA-N 408.420 4.259 0 1 HIAF COc1cc2c(cc1OC)[C@@H](c1ccncc1Cl)N(C(=O)c1ccccc1N)CC2 963162661 YGGININKBDYMRW-JOCHJYFZSA-N 423.900 4.122 0 1 HIAF C[C@]1(CSc2nnc(-c3ccco3)n2-c2ccccc2)NCCc2ccc(O)cc21 963340817 ILOWWFRTKZIVFM-HSZRJFAPSA-N 418.522 4.386 0 1 HIAF COc1ccc2cc(CC[C@]3(C)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)ccc2c1 963527959 RJGAOYBOKRNWPJ-OFVILXPXSA-N 405.494 4.309 0 1 HIAF COc1cc(N(CC2(C)CC2)c2ccc3c(c2)CCC3)cnc1C(=O)[C@H]1C[C@H]1C(=O)O 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HIAF CN1CCN(c2ccc(-c3ccnc(Nc4ccc5ncsc5c4)n3)cc2)CC1 29045235 TXMFDCBUCAKVTF-UHFFFAOYSA-N 402.527 4.249 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1ccccc1CCC[C@H]1OC(=O)NC1=O 29326238 GFHIBECLUQXNJQ-HXUWFJFHSA-N 406.438 4.187 0 1 HIAF O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 40974436 DTUBINNOYURNEY-GMAHTHKFSA-N 422.912 4.281 0 1 HIAF Cc1ccc(NS(=O)(=O)c2cc3c(cc2-c2ccsc2)NC(=O)CO3)cc1C 64610517 LGMHMWUGQJWNMG-UHFFFAOYSA-N 414.508 4.164 0 1 HIAF NC(=O)O[C@H](CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 95576780 BPFQZUCWIXKIDR-LJQANCHMSA-N 407.436 4.054 0 1 HIAF Clc1ccc2c(Nc3cccc([C@@H](c4nnn[nH]4)N4CCCC4)c3)ccnc2c1 96922039 MDEBMANZZSECQS-FQEVSTJZSA-N 405.893 4.330 0 1 HIAF C[C@@H]1[C@@H]2C[C@@H](CC1(C)C)N(C(=O)c1ccc(N3C(=O)c4ccccc4C3=O)cc1)C2 100068529 JBDYWCYCAGIOLC-SUMDDJOVSA-N 402.494 4.384 0 1 HIAF Cc1c(-c2ccc(=O)n(Cc3c(F)cccc3F)c2)c2ccccc2n1CC(=O)O 117015465 IBDBLBVWQNJKOE-UHFFFAOYSA-N 408.404 4.190 0 1 HIAF CN(CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)C[C@@H]1CCCN1 146495021 JZVFEMOMOICKER-FQEVSTJZSA-N 421.614 4.259 0 1 HIAF Clc1ccc(-c2ccc(-c3nncn3-c3ccc(N4CCNCC4)cc3)o2)cc1 299826497 PHEIMVBULOHDAM-UHFFFAOYSA-N 405.889 4.257 0 1 HIAF Cc1cccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)c1 299855266 AVIBDSHVTBXTQH-VWNXMTODSA-N 417.534 4.170 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586996284 ULJYPXLPNCNVLB-UHFFFAOYSA-N 408.683 4.420 0 1 HIAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587013078 ZDPYIJKQZWQZJB-UHFFFAOYSA-N 403.555 4.337 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCO4)C[C@H]2CCCC[C@@H]21 587024480 ANXFPMUZSQSFMR-JLSDUUJJSA-N 409.511 4.428 0 1 HIAF COc1cc(N)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 587340815 WWDQEEZDJPKVIL-XUZZJYLKSA-N 423.440 4.405 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCN(Cc3ccccc3)C2=O)[C@@H]1c1ccc(F)cc1 587342653 GHUCFWGTGJZZPN-RDGATRHJSA-N 417.436 4.062 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(=O)n(Cc3ccc(F)cc3)c1)O2 587385599 UHDXZXMZVLERJE-HXUWFJFHSA-N 412.848 4.286 0 1 HIAF CCOC(=O)c1[nH]c2ccc(CC)cc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438603 OVSANKPOBFFSKT-WAIKUNEKSA-N 405.450 4.404 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(CO)ccc21 587479725 CKQLIKHJRHKXFH-SANMLTNESA-N 414.457 4.290 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ncon3)cc2)N1 587799465 ZMMJUENCOTTWSO-NSPYISDASA-N 418.266 4.174 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC[C@@H]3CO3)cc2)N1 587834394 RDSMMJMFUAAQBC-CBLJQSSYSA-N 406.295 4.164 0 1 HIAF COc1ccc([C@@]2(C=C(SC)SC)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962898999 PSFPLPBLXHXUSG-LAUBAEHRSA-N 419.543 4.244 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](c2ccccc2)(C2CC2)N1 962926893 NVBUYIIULLCURF-ZCYQVOJMSA-N 401.462 4.437 0 1 HIAF NCCOc1ccc([C@]2(c3ccccc3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963097401 FAPHWDIZRMJAOR-ATIYNZHBSA-N 402.513 4.476 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1cc(C2CC2)[nH]n1 963904662 RRWLZRBFRHOLAQ-IERDGZPVSA-N 411.502 4.321 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CCC4)cc3[C@H](O)C2)cc1 1772629909 YZMCASQXPLMAIT-SSOJOUAXSA-N 408.542 4.112 0 1 HIAF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c(Cl)[nH]1 1857593397 KQYAFMWEDHOIBF-HNNXBMFYSA-N 422.316 4.326 0 1 HIAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1ccccc1 1863289 DEFIUIMCPXKHQD-VOJFVSQTSA-N 411.310 4.066 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCC(C)(C)CO 4216540 AKAQRCAMLXFIQG-NHCUHLMSSA-N 404.551 4.234 0 1 HIAF COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)N(CCN3CCCCC3)C(=O)C[C@H]12 5848661 ZOAJGMAIXWPQOE-JTKRFKOTSA-N 424.585 4.002 0 1 HIAF COCO[C@@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 28471756 ASVJPCQXPWNHDI-CLAROIROSA-N 403.469 4.295 0 1 HIAF CN[C@@H]1CC[C@H]2[C@@H]3CCc4cc(OC[C@H](O)CNC(C)(C)C)ccc4[C@H]3CC[C@@]21C 58668590 DLVAQEYQVGVGRK-RXRHJJLSSA-N 414.634 4.259 0 1 HIAF Clc1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCN2CCCCC2)cc1 82179233 MCAUSDKFKMCESK-UHFFFAOYSA-N 410.953 4.455 0 1 HIAF O=C(Nc1ccc(Nc2ccccc2)cc1)C1=C(O)C[C@H](Cc2ccccc2)NC1=O 100076080 XJLQZSCQHJFFRV-NRFANRHFSA-N 413.477 4.312 0 1 HIAF CCOC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C 100912976 FRGNNZYHLRTEQP-CZYKHXBRSA-N 415.480 4.485 0 1 HIAF CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2ccco2)C1 104551646 PVBZQROJRCDVBX-UAKAABGRSA-N 416.562 4.107 0 1 HIAF CCc1ccc([C@H]2C[C@H](NC(=O)Nc3ccccc3)CN(C(=O)N3CCCC3)C2)cc1 114342750 ZWCJKYIKDHSWMF-GMAHTHKFSA-N 420.557 4.444 0 1 HIAF Cc1c(-c2ccc(=O)n(Cc3ccc(F)cc3)c2)c2cc(F)ccc2n1CC(=O)O 117015583 FTZHMRDNGAXVGQ-UHFFFAOYSA-N 408.404 4.190 0 1 HIAF CCCCn1[nH]c(CCC)c(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1=O 169721470 XKNVEJZGCMRAST-UHFFFAOYSA-N 416.529 4.367 0 1 HIAF COc1cc(-c2nc(-c3ccnc(C)c3)c3n2C[C@@H](CF)OCC3)ccc1Cl 221781509 FIBOSEZTJGLSEK-MRXNPFEDSA-N 401.869 4.493 0 1 HIAF CCC(CC)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@@H](C)O)CN(C)[C@H]1C2 253633024 GFWKHLGNTRIBOR-PEEKZLDFSA-N 412.574 4.275 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)C[C@H]2CCCC[C@@H]21 587026376 LCOUEAGCOPHNIK-MNEFBYGVSA-N 423.538 4.471 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(N)c(N)cc5F)[nH]c4c3)o2)cc1 587137217 UIMMPYXGMLMFAK-UHFFFAOYSA-N 416.416 4.259 0 1 HIAF C[C@@]1(Cn2nnc3ccccc32)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342736 PKSWCSDYOURINY-GMAHTHKFSA-N 403.413 4.094 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3[nH]nc(Nc4ccccc4)c31)O2 587396842 PZEVMYCSRDXXTJ-XMMPIXPASA-N 402.498 4.877 0 1 HIAF COc1ccc(N(C(C)=O)c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 587413448 OFQWGHJSDVGZCO-HXUWFJFHSA-N 423.494 4.433 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(-n4cc(C(F)(F)F)cn4)cc1)[C@@H](C2)C3=O 587424245 YFKKJLQSECEMRO-OXJNMPFZSA-N 400.356 4.388 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ncc[nH]1 587574051 YIFCWDHZERPDMV-XXBNENTESA-N 402.381 4.160 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(N)c(F)c2F)N1 587720741 OADIJPWAZDBOCQ-IWEMQMMOSA-N 403.217 4.385 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2ccnc2)(c2ccccc2)N1 587758786 YGAMOFRDHHBYDR-VBKZILBWSA-N 400.295 4.263 0 1 HIAF CCOCCCN1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C1 587759185 FCMYNFFKFQMQHK-SXGZJXTBSA-N 413.375 4.086 0 1 HIAF COc1cc2c(cc1OC)[C@H](c1c(Br)cccc1N(C)C)N(C)[C@@H](C)C2 962568219 DRIPPAKSYFKIDQ-YEJXKQKISA-N 419.363 4.498 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(c1ccc(Oc3ncccn3)cc1)N(C)[C@H](C)C2 962642741 ZTJIUXAPNKLCLU-GYCJOSAFSA-N 405.498 4.426 0 1 HIAF C[C@@H](c1cc(-c2ccccc2F)no1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F 1772580390 DEJOFUBBFOPWFX-YEJXKQKISA-N 414.387 4.042 0 1 HIAF C[C@@H](COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1)NC(N)=O 1772628854 MFORBPPQKWXOMO-HNNXBMFYSA-N 423.469 4.358 0 1 HIAF O=C(O)c1cccc(-n2cccc2/C=C2/NC(=S)N(c3cccc(Cl)c3)C2=O)c1 1857566619 ZLLVHEWHFDCGLG-LDADJPATSA-N 423.881 4.091 0 1 HIAF CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](C(=O)C(C)C)C(=O)[C@](O)(CC=C(C)C)C1=O 2356322619 SLIXMIXEBCIOLT-UQBPGWFLSA-N 416.558 4.335 0 1 HIAF COCCNC(=O)[C@H](C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 6202056 BXCJWVWJJYQBRU-FMNIHWTGSA-N 424.541 4.079 0 3 HIAF C[C@]1(c2ccccc2)CC(=O)N(c2ccc(NC(=O)c3ccccn3)cc2Cl)C1=O 66113237 VVBFAZRDUJRAAU-HSZRJFAPSA-N 419.868 4.209 0 3 HIAF CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCCCOC)cc1 2480418 RHJCJRCJVRHWPL-UHFFFAOYSA-N 410.470 4.182 0 1 HIAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)c1 4036918 AFZQFMCFVQXPJT-VWNXMTODSA-N 415.493 4.076 0 1 HIAF O=C(NCCCCc1ccc(O)cc1)c1ccccc1CNCCc1ccc(O)cc1 13589121 RUERMKZVLUCBOC-UHFFFAOYSA-N 418.537 4.183 0 1 HIAF O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cccnc2-c2n[nH]cc2[C@H]1C1CC1 45254525 YPKQTUNVSPGFJZ-GOSISDBHSA-N 420.416 4.151 0 1 HIAF CCC[C@H](Oc1cnn(-c2ccccc2C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 73240574 HBSDYCRTVGTKLE-QFIPXVFZSA-N 421.497 4.305 0 1 HIAF C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3[nH]ncc3c2)c1-c1cccc(N(C)C)n1 95592893 MSBAMIZLZZPGBH-IUODEOHRSA-N 418.526 4.409 0 1 HIAF COC1CCC2(CC1)Cc1ccc(CCC(C)C)cc1[C@]21N=C(N)N(C(C)C)C1=O 169700412 MHLVJXQIYBRATN-LRARRHDQSA-N 411.590 4.167 0 1 HIAF CCOc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC3CC3)c2n1 223710377 VRSUBXSEWZXJCC-UHFFFAOYSA-N 415.501 4.390 0 1 HIAF CCOC(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587003898 YBXDGYFLUNMGOS-UHFFFAOYSA-N 413.275 4.095 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CCO)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587026149 KFKICLLKZIJQOK-YYWHXJBOSA-N 409.555 4.234 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587328394 AHRUSYFWVVEDKR-NFBKMPQASA-N 410.372 4.095 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cccc(Br)c1)O2 587376753 KGXFRRKMUHKXGH-AQWUKCDYSA-N 401.304 4.276 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O 587445509 ZQEDLJLEKHPBQJ-NBGIEHNGSA-N 402.446 4.404 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccc(OC)c(OC)c4)s1)[C@@H](C2)C3=O 587453635 XVVKPCOVXPJYDK-QKKBWIMNSA-N 409.463 4.325 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)cnc3nccnc13)CC2=O 587459366 OPRVLHAUZPIZSN-HNNXBMFYSA-N 414.259 4.152 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N(C)C)c(Cl)c1)CC2=O 587459710 CVYNSSKLSALEOS-HXUWFJFHSA-N 417.889 4.172 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)NCc1ccccc1Cl)CC2=O 587460386 FWZJWJWIHDXJNF-JOCHJYFZSA-N 401.890 4.429 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cc(C)n3CC(=O)OCC)CC2=O 587474694 GTKNZAKPUMZGNQ-DEOSSOPVSA-N 411.498 4.215 0 1 HIAF CCN(CC)CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518601 LZLBXTPXMVGWOI-AREMUKBSSA-N 418.537 4.115 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc(C(F)(F)F)cc1 587547082 LECOSVZZFYQWAT-GHTZIAJQSA-N 416.351 4.260 0 1 HIAF CC1(C)Cc2nc(O)ccc2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587585171 CHIMZTLIDOSVLT-YKSBVNFPSA-N 403.434 4.322 0 1 HIAF CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598349 TYUQSXKZYZBBDS-ZHRMCQFGSA-N 418.445 4.144 0 1 HIAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605998 CPTUVANJYSXMPQ-YLJCJYEASA-N 408.450 4.394 0 1 HIAF COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587804033 ABRJGZGOZSZXPE-APBUJDDRSA-N 410.283 4.238 0 1 HIAF COC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587808568 OODKYLNWWZKYMD-LBJGKRIESA-N 418.306 4.101 0 1 HIAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587836977 CQUZZYRMHWWNEZ-BIBXISHDSA-N 418.262 4.035 0 1 HIAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c(O)c2)cc1OC 587926866 LGOKLSVRGGYMPK-UHFFFAOYSA-N 404.422 4.391 0 1 HIAF CCCc1cncnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O 653669368 SQEBZRWBDVPJDR-HNNXBMFYSA-N 403.482 4.489 0 1 HIAF COc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)N=c3cc[nH]cc3)c2)cn1 653764468 RPXILCAORZPTRI-UHFFFAOYSA-N 404.348 4.117 0 1 HIAF O=C1C[C@]2(C[C@@H](c3ccco3)[C@@H]1n1cncn1)NCCc1cccc(-c3ccccc3)c12 962671069 WECSCJHRORKBQI-MZBJOSPHSA-N 424.504 4.267 0 1 HIAF CCN1C=C(C(=O)O)[C@]2(NCCc3c(OC)ccc(Cl)c32)c2cc(Cl)ccc21 963257447 KKAXIMBOXFRKFA-OAQYLSRUSA-N 419.308 4.200 0 1 HIAF CNc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2F)ncn1 1772643443 VTRJQWKTTGDUEF-UHFFFAOYSA-N 400.414 4.379 0 1 HIAF COc1ccc(CN2CCc3cc(NS(=O)(=O)C4CCCCC4)ccc32)cc1 1857556405 RRKGWFUYPAXESR-UHFFFAOYSA-N 400.544 4.332 0 1 HIAF COc1ccc(Cl)c(-c2nnc3c(C)nc4ccc(C(=O)NCC(C)C)cc4n23)c1 1857748368 FAIPSSKYXVXTPM-UHFFFAOYSA-N 423.904 4.301 0 1 HIAF O=C(Cc1ccc2c(c1)CCC2)NCc1cc(C(F)(F)F)nn1-c1ccc(F)cc1 1911577306 WRRNUKAKPKPAIF-UHFFFAOYSA-N 417.406 4.378 0 1 HIAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356286634 JOJOTOFFEPJKEF-ZCNNSNEGSA-N 417.557 4.488 0 1 HIAF CC=C(C)C(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)CC[C@@H](O)[C@@H]2C 2356628438 TYOANDKPHLTYEY-WMLDXEAASA-N 400.471 4.477 0 1 HIAF CCN(CC)CCCNC(=O)c1ccc2c3n(nc2c1)-c1ccc(Cl)cc1CO3 36384215 ABVHQUARWOJYCM-UHFFFAOYSA-N 412.921 4.033 0 3 HIAF Cc1ccc(C[n+]2ccn(CCC(C(N)=O)(c3ccccc3)c3ccccc3)c2C)cc1 26825073 JRMNCPZXDNIHBY-UHFFFAOYSA-O 424.568 4.302 0 1 HIAF O=C(N[C@@H]1CCCN(Cc2ccc3c(c2)OCO3)C1)c1cc(Cl)cc(Cl)c1 28460474 KNMAQJJONKQGFX-QGZVFWFLSA-N 407.297 4.117 0 1 HIAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](Cc3ccc(C(N)=O)cc3)C[C@@H]12 29132840 RFIYWJLRZNLOLN-FCJCMXMISA-N 419.565 4.480 0 1 HIAF COc1c(NC(=O)NC(C)(C)C)c(OCCN2CCCCC2)c(OC)c2occc12 29400083 GYRFOJYRTCMWDM-UHFFFAOYSA-N 419.522 4.235 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCCOc1ccc(C[C@@]2(C(=O)O)CCCO2)cn1 34717775 FJPNDQPXIIPWFS-XMMPIXPASA-N 422.481 4.233 0 1 HIAF CCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3cnc4ccccc4c3)cc2[nH]1 35968571 YFVHCQVJMHLXMD-UHFFFAOYSA-N 409.453 4.377 0 1 HIAF CCCC[C@H](CC)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(Cl)c(F)c2)C(=O)O1 40829545 ZNLUECRWFKKEBI-GDFCYHOYSA-N 412.885 4.300 0 1 HIAF Cc1cc(OCCCN2C[C@H]3NCCC[C@@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49047514 VORZMLWIEYTBEN-WZONZLPQSA-N 422.548 4.439 0 1 HIAF CC(=O)N1N=C(c2cc3c(Br)cccc3oc2=O)C[C@H]1c1ccccc1 64548512 ZFXRVTOTWYJRMF-SFHVURJKSA-N 411.255 4.253 0 1 HIAF CN(CC(=O)NCC1CCCCC1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 82085640 VRLXQVWKYWZZTP-UHFFFAOYSA-N 405.951 4.232 0 1 HIAF CCCCN(CCCC)CCNC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82086320 RVKFXFILMNKACY-UHFFFAOYSA-N 419.591 4.459 0 1 HIAF O=C(O)c1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 96269555 DQTWFIUHKWDTSD-UHFFFAOYSA-N 410.477 4.322 0 1 HIAF Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3C(=O)OC2(C)CC2)c1C 101417560 ZYOPZQBZYFDBES-IRXDYDNUSA-N 424.501 4.344 0 1 HIAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C1(O)CCCCC1)C=CC=C3CO 102410445 AHYOUXMXCQWDCX-CDPNLFKUSA-N 408.538 4.400 0 1 HIAF Cn1c(-c2cn(-c3ccccc3O)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1 103258543 JZBYTLYYEYXPLJ-UHFFFAOYSA-N 412.428 4.242 0 1 HIAF Cc1cc2nc(SCc3nc(-c4ccccc4)cn3C)nn2cc1Br 113420530 NEEQHRMNXXFQJA-UHFFFAOYSA-N 414.332 4.493 0 1 HIAF CCOc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1 115655966 ILFDWFIFBBNDGA-VWLOTQADSA-N 416.452 4.037 0 1 HIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CCOc4c3cccc4C(F)(F)F)cccc21 143530050 YROZMNNPRZGPFL-MRXNPFEDSA-N 417.387 4.203 0 1 HIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2noc(C)n2)c1 167364906 LQQRWVVSBRNSJK-KSSFIOAISA-N 407.470 4.172 0 1 HIAF C[C@H](C(N)=O)N1CC[C@]23CCCC[C@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 169312561 HAFQUPCULBPLGU-YEJXLFQISA-N 422.544 4.337 0 1 HIAF COC(=O)c1ccc2[nH]c([C@H]3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1 169729499 QNOWIQIPRISMTP-ZDUSSCGKSA-N 403.316 4.455 0 1 HIAF CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cnccc43)CC2)[C@H]1c1ccccc1 299849097 VNRKPTDAMCLGEX-ZWOKBUDYSA-N 406.486 4.180 0 1 HIAF Cc1ccccc1[C@H]1[C@H]2CCc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 299868636 RZBJOVUTEDIEQN-UPVQGACJSA-N 417.534 4.170 0 1 HIAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1)N1CCC1 586955321 GLZWTUBYYRGISK-UHFFFAOYSA-N 400.262 4.070 0 1 HIAF Cc1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c(C)n1 586961865 TVPUOSHMUFQYMS-UXPWSPDFSA-N 410.543 4.269 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)cncc2[nH]1 587181266 PUHBDYFQXOSTOC-ZETCQYMHSA-N 401.639 4.050 0 1 HIAF Fc1ccc(I)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587182662 MOUYXNMOSAYQQJ-UHFFFAOYSA-N 407.108 4.387 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC4(CCN(C(=O)OC(C)(C)C)CC4)C1)[C@@H](C2)C3=O 587442288 IBWUIHPBJKAABY-XDHUDOTRSA-N 413.514 4.383 0 1 HIAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](CC=C(C)C)C(=O)c4ccccc41)[C@@H](C2)C3=O 587447024 KBILENMZHIDABM-MIAKESKMSA-N 402.446 4.076 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1ccnc1)c1ccc(F)cc1 587570042 JYKKRFSNCLWTFK-ZJSXRUAMSA-N 416.408 4.285 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cnccn2)N1 587730991 GMMIKACYQXYHJH-MPBGBICISA-N 416.269 4.343 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]ccc2=NC(=O)C(C)(C)C)N1 587740765 FHYRMKIWXYVHHR-ADLMAVQZSA-N 420.326 4.013 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C2/Nc3ccccc3C(=O)O2)N1 587791228 JOAPIUTWXCGPAE-LMEHOEIHSA-N 417.278 4.462 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)OCc2ccccc2)N1 587801195 JNPGRHBLXIQKJX-XCLFUZPHSA-N 406.295 4.471 0 1 HIAF COc1ccc2[nH]c(O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802334 LGULKUCPDZWGSE-YYSFKGJASA-N 405.267 4.407 0 1 HIAF COc1cc2c(cc1OC)[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587808102 NMKOIVNJTGFOSM-GIPWTMENSA-N 406.295 4.329 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2C(=O)CC(C)(C)CC2=O)N1 587822966 NUKNILZAOQFCIP-PRWKNARSSA-N 410.327 4.302 0 1 HIAF CC(C)(CN1C(=O)c2ccccc2[C@@H]1C(=O)NCCCC(F)F)c1ccc(F)cc1 653729280 YFEUJRWINHOSBK-HXUWFJFHSA-N 418.459 4.462 0 1 HIAF COc1ccc(-c2c(C)c(C)c(C=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1O 653833448 UQPJANXICIYEIA-UHFFFAOYSA-N 411.454 4.314 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ccc(F)cc2)(c2cncc3ccccc23)N1 962919748 LDBFTMSZAJONKC-UKILVPOCSA-N 416.427 4.404 0 1 HIAF c1cc(C2OCCO2)cc([C@]2(C3CCCCC3)NCCc3nc4ccccn4c32)c1 962984607 FBNPHAPUHHFUQJ-VWLOTQADSA-N 403.526 4.349 0 1 HIAF O=C(O)c1ccc(CN2C(=O)c3ccc(Cl)cc3NC(=O)[C@H]2c2ccccc2)cc1 1857762515 ZEKZDFVXWKTDQE-HXUWFJFHSA-N 420.852 4.374 0 1 HIAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)N1CCN(C)CC1 2356732502 UNYGZEPGZXFKQW-VABKMULXSA-N 420.638 4.194 0 1 HIAF C[C@]1(C(=O)NCc2cccc(OC(F)(F)F)c2)CON=C1c1cccc(Cl)c1 772442 GYEQRZOEDDIPSE-SFHVURJKSA-N 412.795 4.296 0 1 HIAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccsc1 774121 DMMQPRVBFBCFLD-CXAGYDPISA-N 400.500 4.216 0 1 HIAF CCCCCN1CC(=O)N2[C@@H](c3ccccc3C)c3[nH]c4ccccc4c3C[C@@H]2C1=O 2114044 ABHYSUHMYCUVOA-RDGATRHJSA-N 415.537 4.351 0 1 HIAF biogenic CCCn1cc(S(=O)(=O)CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc21 2722215 MOPBZRFOCPTXPA-UHFFFAOYSA-N 424.444 4.483 0 1 HIAF CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)O)c(CCC)c1 14516271 PUAFRNVYQFDWKG-UHFFFAOYSA-N 402.443 4.406 0 1 HIAF biogenic CC(C)CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(Cl)c2)C1=O 15955965 UEDUMMPCGLMDIY-NFBKMPQASA-N 421.928 4.162 0 1 HIAF biogenic CC1(C)c2ccccc2N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@]21c1ccccc1 18252221 MCCHWVUZEMUSLZ-TVZXLZGTSA-N 410.473 4.183 0 1 HIAF O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCCCc1ccccc1 27187401 QNBPTJBTPTYDEV-MQSUGXTHSA-N 411.501 4.343 0 1 HIAF O=C(c1cccs1)c1cnn2c(-c3cccc(NC(=O)C4CCC4)c3)ccnc12 28331468 FUIFZQQAHWGSNO-UHFFFAOYSA-N 402.479 4.427 0 1 HIAF Cc1ccc(C)c(N2CCN(CCCNC(=O)C3(n4cccc4)CCCCC3)CC2)c1 33019383 HDHLAUYVYCXSFW-UHFFFAOYSA-N 422.617 4.093 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@]2(C(=O)O)CCCCO2)cn1 34717771 HEIMHRZFDOAASV-DEOSSOPVSA-N 422.481 4.233 0 1 HIAF Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(S(N)(=O)=O)c3)nnc2c1 37858312 SPIJTKBVKZDMNI-UHFFFAOYSA-N 419.510 4.008 0 1 HIAF C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCC3)C[C@@H]2N(C)C1 40373987 UDRQASHQXVJFFN-LHHUOMPKSA-N 410.558 4.029 0 1 HIAF Cn1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c1 64573788 PTHZNWHNJJFJCL-UHFFFAOYSA-N 414.391 4.086 0 1 HIAF COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)NC3=O)cc2OC)c(Cl)c1 66076482 JATLXGAUZPZTKI-PXNMLYILSA-N 419.842 4.251 0 1 HIAF Cc1cccc(CSc2nnc(CSc3nc4nc(C)cc(C)n4n3)s2)c1 96928628 OPNBQWOTIANVSR-UHFFFAOYSA-N 414.585 4.486 0 1 HIAF O=S(=O)(c1ccccc1)[C@@H]1C[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 101427881 CFDCTBOVDXIEET-PQNGQFLHSA-N 420.486 4.022 0 1 HIAF Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3ccc(Cl)nc3)c2cc1F 103249816 SBRHZZLPXMUSAH-UHFFFAOYSA-N 411.820 4.239 0 1 HIAF c1ccc(-c2csc3[nH]nc(N4C[C@H]5C[C@H]4C[C@@H]5OCCN4CCCC4)c23)cc1 147698494 WGQSPZMCXCEALV-HBFSDRIKSA-N 408.571 4.371 0 1 HIAF CC[C@H](C)C(=O)O[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 202614295 PCZOHLXUXFIOCF-GTAUJENXSA-N 404.547 4.196 0 1 HIAF Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccccn12 206122353 YYJQXSJQDPOQPK-UHFFFAOYSA-N 409.396 4.458 0 1 HIAF CC(C)C(=O)OCC1=C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 238754082 ILGOTJMUMBDLFG-UDFCLBJXSA-N 422.562 4.102 0 1 HIAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NC[C@H](O)CC 299883567 RNXNCZKHKKZYJL-ZFJSRUIDSA-N 424.541 4.188 0 1 HIAF CCOC(=O)Cc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017322 JGOZULPHWUDMQH-UHFFFAOYSA-N 405.479 4.394 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(O)cc3[nH]2)c1 587048135 FNSZHZWLFFNSQG-UHFFFAOYSA-N 400.866 4.232 0 1 HIAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(C(C)(C)C)cc2[nH]1 587128239 KPGXJLQUNACXTO-UHFFFAOYSA-N 417.435 4.284 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C\C(=O)Nc3ccccc3)nc2c1 587244959 STAGLFWDLIJTFR-HJWRWDBZSA-N 414.259 4.154 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328117 AXDJMOLDRZTZIR-QPPBQGQZSA-N 424.399 4.488 0 1 HIAF CCOC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587336203 JPMHVBQBWWXPAK-QPPBQGQZSA-N 421.424 4.377 0 1 HIAF COc1ccc(C)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348294 NHVVOSRKXPJKDG-RDPSFJRHSA-N 419.408 4.055 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2ccc(C(F)(F)F)n2)N1 587721838 QGYDWSLEPHCSPI-RFAUZJTJSA-N 406.221 4.253 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccn2Cc2ccccc2)N1 587754821 MVWYTKIHTFFCEZ-DJJJIMSYSA-N 400.295 4.457 0 1 HIAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587782557 PUGVQJFNSJYUNA-UHFFFAOYSA-N 415.493 4.347 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587795378 IQDUHXRKGFWJCS-ZUOKHONESA-N 406.295 4.319 0 1 HIAF Cc1ccc([C@]2(/C=C/C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587829665 RYPHLCHMZOBASC-HNDNADPKSA-N 404.279 4.315 0 1 HIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587932177 VHAVTHNDTIEOLY-ACJLOTCBSA-N 410.417 4.310 0 1 HIAF COc1ccc2c(c1)[C@](c1ccncc1)(c1ccc(C(=O)O)cc1)N(C(C)C)CC2 962092126 PCYVRGWPDQBQKW-RUZDIDTESA-N 402.494 4.347 0 1 HIAF COc1ccc(-c2noc([C@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)n2)cc1 962717478 UYHDCHNHGNUQKX-MGPUTAFESA-N 411.502 4.337 0 1 HIAF Cc1cn(C(C)(C)C)cc1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963146461 NGYCKCZOYVZEMF-CVEARBPZSA-N 419.547 4.344 0 1 HIAF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=C/C(=O)NCc1ccc(OC)cc1 1857576183 UFODCKYSJMXPBS-ZHACJKMWSA-N 412.873 4.336 0 1 HIAF CO[C@@H]1C[C@]2(CC[C@]3(CCC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@@]43C)O2)[C@H](OC)O1 2356394836 HUSWIFOINKVFAU-QMYDJURMSA-N 410.551 4.198 0 1 HIAF CC(=O)O[C@H]1CCC(C)=C[C@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC[C@@H](OC(C)=O)[C@]12C 2356498646 ZJOXMWJKQWLNFX-PHQLXWQESA-N 416.514 4.194 0 1 HIAF CSc1ccc(CNC(=O)C(C)(C)n2cc(-c3ccc4c(c3)OCCO4)cn2)cc1 205228649 GOSNYMXQFQOZKC-UHFFFAOYSA-N 423.538 4.095 0 3 HIAF COc1ccccc1NC(=O)C[C@]1(C)N=C(c2cccc(C(F)(F)F)c2)N(C)O1 205233658 UETJJMUMILICRT-LJQANCHMSA-N 407.392 4.083 0 3 HIAF CCCCN1C(=O)[C@H]2Cc3c(n(C)c4ccccc34)[C@@H](c3ccc(OC)cc3)N2C1=O 13527946 ZBQSUATWBDAJKO-FGZHOGPDSA-N 417.509 4.265 0 1 HIAF COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(Cl)c(OC)c(C)c2O)c(C)c1O 15203271 ZTOKFCJAGRAWHH-UHFFFAOYSA-N 422.861 4.308 0 1 HIAF biogenic CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CCNC(=O)c1ccsc1 27298371 AVUSYTRJVKZPGP-KRWDZBQOSA-N 407.514 4.363 0 1 HIAF Cc1cnc2c(C(=O)c3cccs3)cnn2c1-c1cccc(NC(=O)C2CC2)c1 28819317 WMKMSOHQBUKXDF-UHFFFAOYSA-N 402.479 4.346 0 1 HIAF CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(Cl)cc1 29129205 LUJLISGGFLGFKZ-UHFFFAOYSA-N 413.949 4.162 0 1 HIAF COc1cccc(OC)c1[C@H]1SCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258959 PJFKYDHJQFKZOC-GOSISDBHSA-N 413.417 4.377 0 1 HIAF NC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)n(-c2ccccc2)n1 299860917 JXVSAZGBNAAWGA-UHFFFAOYSA-N 404.470 4.059 0 1 HIAF COC(=O)[C@H](CCSC)NC(=O)CCN1c2ccccc2Sc2ccccc21 473123123 KQFLHEDMKKFTBC-HNNXBMFYSA-N 416.568 4.090 0 1 HIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1 587050772 MHVNVDHDUJKYBE-UHFFFAOYSA-N 400.910 4.418 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc-2[nH]1 587068114 HNVQYFWHVILCAB-UHFFFAOYSA-N 417.860 4.333 0 1 HIAF COc1cc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1Cl 587377829 ZMQGIJZIKGCNLT-OAQYLSRUSA-N 418.877 4.001 0 1 HIAF COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522067 DTDZONDRSWHNCS-XMMPIXPASA-N 410.466 4.006 0 1 HIAF CN(CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OC(C)(C)C 587572420 PELURNWQAUBIBX-WZONZLPQSA-N 413.470 4.370 0 1 HIAF O=C(O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cnn(-c2ccccc2)c1 587623563 WKWHLROJJNMIDJ-UHFFFAOYSA-N 422.242 4.358 0 1 HIAF O=c1c2cc(Cl)ccc2cnn1-c1ncc(Br)cc1C(F)(F)F 587652059 VBOLDIWBXNOJCV-UHFFFAOYSA-N 404.573 4.215 0 1 HIAF COc1ccccc1[C@@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804900 DBZPOFNBYWVJBA-FKIZINRSSA-N 406.295 4.354 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(C)o2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828446 NJXHTCYLLXJIRJ-JEOXALJRSA-N 410.283 4.221 0 1 HIAF O=C1CCC(c2ccccc2)(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 587970726 NDUSPMNZDDKKPI-UHFFFAOYSA-N 413.481 4.051 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(OC(C)=O)cc2)NCCc2cc(-c3ccccc3)ccc21 962671287 UCFHZTXRBMDZMH-SANMLTNESA-N 415.489 4.231 0 1 HIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3[nH]nc(Cl)c3c2)N1 962695966 DUMXVJFZWRTTBR-HUUCEWRRSA-N 413.758 4.063 0 1 HIAF CN(c1ccccc1)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cn1 963230169 LQIYUGRGHDWLJN-VWNXMTODSA-N 410.477 4.086 0 1 HIAF Cc1c(O)ccc2c1[C@@H](c1cc(F)ccc1OCc1ccccc1)N[C@H](C(=O)O)C2 963512575 XIAPMBIWVMLPNW-WMZHIEFXSA-N 407.441 4.107 0 1 HIAF CC(C)Cc1cc(C(=O)NC[C@H]2[C@@H]3CN(CCC(C)(C)C)C[C@H]23)nn1-c1ccccc1 1857575178 BTOCVKXISIRIDV-WBDAEOGXSA-N 422.617 4.415 0 1 HIAF CCOc1cccc(C2=NN(C(=O)OC)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c1 1857603979 CPDDFGVIKWUDFH-SFHVURJKSA-N 414.458 4.029 0 1 HIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnccn3)cc2)c1C 838994 UVYXPSDNXLRANG-UHFFFAOYSA-N 406.467 4.216 0 1 HIAF O=C(NCc1ccccc1F)c1cccc(NC(=O)N2CCSc3ncccc32)c1 8594590 PXWNULUYWMXTOV-UHFFFAOYSA-N 422.485 4.295 0 1 HIAF COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccccc1)c1ccccc1)CC2 13588136 LSYOVSRREGYGSH-VWLOTQADSA-N 416.521 4.120 0 1 HIAF Cc1cc(C(=O)Nc2ccc(C(=N)N)cc2F)n(-c2cc3ccccc3cc2F)n1 28237713 SMKFXKBPJKPLJH-UHFFFAOYSA-N 405.408 4.148 0 1 HIAF CNc1cc(OC)c(C(=O)NC[C@@H]2CC[C@H](C)N2Cc2ccccc2)cc1Cl 28238883 GGANYIDTHXJNBU-RDJZCZTQSA-N 401.938 4.173 0 1 HIAF COc1ccc(Cl)cc1Nc1nc(NCc2ccccc2)nc(N2CCCC2)n1 28824326 IQIXBFJGBALKTA-UHFFFAOYSA-N 410.909 4.490 0 1 HIAF NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(Sc4ccccc4)o3)CC1)CO2 29126214 KDZZJGDWTMBCKL-UHFFFAOYSA-N 420.534 4.456 0 1 HIAF Nc1ncnc2onc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)o3)c12 40567573 MEZSWSUDIXSWHN-UHFFFAOYSA-N 404.308 4.123 0 1 HIAF O=C(O)c1cc(CN2CCc3ccccc3[C@@H]2c2cccs2)c2ccccn2c1=O 66079423 HGZCPCAWEDGGMG-JOCHJYFZSA-N 416.502 4.207 0 1 HIAF Fc1cccc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)c1 82181579 TUJNZXXYFZYZQO-KRWDZBQOSA-N 409.490 4.485 0 1 HIAF C[C@@H](Cc1nc2c(NCC3CC3)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 82186175 VDXYEJIVRQXZIY-GHTZIAJQSA-N 418.589 4.479 0 1 HIAF CSCC[C@@H](Nc1nc(-c2ccc(C)c(C)c2)cs1)C(=O)NC[C@@H]1CCCO1 82194501 VWEFVUULPTXRLR-ZWKOTPCHSA-N 419.616 4.256 0 1 HIAF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CNC(C)=O)[C@H]4O 84690971 GMBHPNGUXNVTNG-JSRUGDOASA-N 419.606 4.076 0 1 HIAF COc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3F)cc2)c1 100109314 UWENYPRZIHDRFG-BKFWDETESA-N 417.484 4.473 0 1 HIAF CCCNC(=O)O[C@H]1CC[C@@](CNC(=O)c2ccccc2OC)(c2ccccc2)CC1 100764992 IYMWLYWBYFPVAA-IHRKKFBRSA-N 424.541 4.442 0 1 HIAF CCCn1c(-c2ccc(F)cc2)nc2c(NC3C[C@H]4CC[C@H](C3)N4C)nc(C)nc21 102787263 FLABGLALTXSQHU-RTBURBONSA-N 408.525 4.388 0 1 HIAF CCc1ccc2c(c1)CCC[C@]21CNC[C@H]1C(=O)N1CCC(c2ccccc2)CC1 146285040 MNOYYFZDYQGGQG-BDYUSTAISA-N 402.582 4.449 0 1 HIAF CCCCCCC[C@](C)(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)C 148199696 ZTGUBPKGOULVQD-BFKWUEKISA-N 418.578 4.474 0 1 HIAF COc1cc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2)n2ccnc2)cc(OC)c1 169333746 ULAXXHKOZFRTFZ-QFIPXVFZSA-N 421.497 4.477 0 1 HIAF COCCC1CCN([C@H](CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1 198333647 QZMPTOFKVGAMTP-AREMUKBSSA-N 413.650 4.427 0 1 HIAF N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccnc1 223675846 FWFBQGIMNFVOBO-KRWDZBQOSA-N 416.554 4.009 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2C[C@@H](c3ccccc3)CC[C@H]2C1 253851027 ILBCFHDOQNPYQO-KSZLIROESA-N 413.949 4.071 0 1 HIAF CC(C)Oc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Br 586960976 DTXGOBJQMPRMAK-QMMMGPOBSA-N 424.324 4.044 0 1 HIAF COc1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586961124 PQKXCCJAMYLZRP-MNEFBYGVSA-N 411.527 4.266 0 1 HIAF COC(=O)c1cc(Br)c2nc(-c3ccc(Br)o3)[nH]c2c1 587008827 YNMFNBVELTXBHR-UHFFFAOYSA-N 400.026 4.135 0 1 HIAF O=C(COc1ccccc1-c1nc2cccc(C(=O)O)c2[nH]1)Nc1ccccc1F 587154504 RCUQAXQLFMQAQG-UHFFFAOYSA-N 405.385 4.085 0 1 HIAF Fc1cnc(Br)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 587232223 OZKYIDXQRROMSI-UHFFFAOYSA-N 401.239 4.409 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c3ccccc3c1I)O2 587385452 DBQLCTRYIIHFPT-HNNXBMFYSA-N 418.234 4.370 0 1 HIAF COc1ccccc1[C@@]1(C[C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587399199 JMVBFFNMSZSKAZ-VMPBMTGNSA-N 409.482 4.338 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)cnc1C(=O)OCC)CC2=O 587462951 RUHPSQDDLPSWPM-OAQYLSRUSA-N 403.862 4.450 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1cc(OC)ccc1OC)CC2=O 587482825 JOOVPNIVBQCOTJ-NRFANRHFSA-N 408.454 4.459 0 1 HIAF Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nn2)cc1 587583355 VLPWSXKYPWIBPQ-ZJSXRUAMSA-N 413.433 4.043 0 1 HIAF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2c(C(=O)O)cccc2c1CCCC1OCCO1 587637421 CNURLRTUICYVOJ-ZDUSSCGKSA-N 418.490 4.147 0 1 HIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587784422 GXSYANXXNZNGAU-QWHCGFSZSA-N 418.234 4.111 0 1 HIAF COC(=O)c1ccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587804547 RNCMBBYVSQORNE-DGIBIBHMSA-N 417.278 4.480 0 1 HIAF COc1cc(OC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587807346 NCWNYPGDSAZKFD-DGIBIBHMSA-N 410.283 4.238 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587828972 PJGMTYORJWEINK-UGZDLDLSSA-N 408.267 4.302 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cc1F 587860663 CAAZZWHDUUHZBH-UHFFFAOYSA-N 414.380 4.109 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cccc(N(C)C)c1 587862438 NSNRSOKRIBOGTQ-UHFFFAOYSA-N 419.403 4.363 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cn2ccccc2n1 587866289 IWOUPILTSQEXBS-UHFFFAOYSA-N 414.387 4.498 0 1 HIAF Cc1cc2c(cc1F)[C@H](c1cc(C)c(OCC(=O)NCC(F)(F)F)c(C)c1)NCC2 962380244 WTKFSYWYXYDFCT-FQEVSTJZSA-N 424.438 4.043 0 1 HIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(CN4CCCC4)cs3)N12 962675413 WYDFHINXZXPLCZ-ZJSXRUAMSA-N 421.566 4.080 0 1 HIAF CC(=O)n1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c2ccccc21 962699298 IKBYDBJKUBUICC-MJGOQNOKSA-N 420.362 4.148 0 1 HIAF C[C@]1(c2ccc(F)cc2OC(F)F)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962761935 IHHBMRPGECOBJM-KSSFIOAISA-N 403.322 4.336 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCCc2nc(-c3cccnc3)sc21 963604071 DQKXFWVXOAJVMH-FATZIPQQSA-N 407.539 4.336 0 1 HIAF CS(=O)(=O)Nc1ccc(-n2cc(-c3ccccc3)nn2)cc1Oc1ccccc1 1772598311 DWVLJIIKOMXXTK-UHFFFAOYSA-N 406.467 4.098 0 1 HIAF COc1ccc(N(C(=O)NCCCn2cncc2C)C2CCCCC2)cc1OC 1857592630 PKFZPNSJAKVCJT-UHFFFAOYSA-N 400.523 4.148 0 1 HIAF CC(=CCOC(=O)CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=CCC[C@@H]31 2356448630 KCSXWFRRJNDLTQ-SBQVSDJPSA-N 404.503 4.047 0 1 HIAF CCCCOCC=Cc1cc(OC)c2c(c1)[C@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2 2356743396 YQSAYBNHZLLVQX-WMZHIEFXSA-N 414.498 4.449 0 1 HIAF CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3C(=O)C[C@H](C)[C@@H]3[C@@H]2[C@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 2356802517 SIIJXSSKYAUOMC-GTXCGNAHSA-N 404.547 4.173 0 1 HIAF O=C1[C@@H](Cc2ccccc2)Nc2ncnc(N3CCCCC3)c2N1Cc1ccccc1 61959538 CHVXMOCPHNPHHV-OAQYLSRUSA-N 413.525 4.037 0 3 HIAF CCOC(=O)Cn1c(=O)c(-c2ccccc2NCc2ccccc2)nc2ccccc21 973448 WQYXMDSLYPAVCY-UHFFFAOYSA-N 413.477 4.239 0 3 HIAF C[C@H]1[C@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C[C@@H]2C[C@H]1C2(C)C 101678187 GQKLSSZFSJGFQZ-AETAKHFUSA-N 402.922 4.134 0 1 HIAF Cc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3C)cc2)c1 100107930 VTDJBBYBMAZGCD-QEIWAGNOSA-N 418.562 4.099 0 1 HIAF CSc1ncc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(Br)cc1 28713609 DIXLGMOZFUYROY-UHFFFAOYSA-N 423.357 4.427 0 1 HIAF CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc(OC)c(C(F)(F)F)c1 61905450 UMPWBLVHVRCKKY-LJQANCHMSA-N 400.441 4.015 0 3 HIAF COc1ccc(-n2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c2=S)cc1OC 29038188 VXORSSUWWJBYLE-UHFFFAOYSA-N 402.472 4.245 0 1 HIAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccnc4)c3c2)CC1 71330423 OOXGTQHTHWOWMP-UHFFFAOYSA-N 401.436 4.013 0 1 HIAF NCCC(=O)N1CCc2c([nH]c3ccc(-c4ccccc4)cc23)[C@H]1c1cccc(O)c1 45368061 YBHZGDAAKNRMPC-AREMUKBSSA-N 411.505 4.363 0 1 HIAF COCCN1C(=O)[C@@H]2[C@@H](C1=O)c1[nH]c3ccccc3c1[C@H]1CC[C@H](C(C)(C)C)C[C@H]12 195466684 WWPQRNIXPZCCMI-YAKQMPQVSA-N 408.542 4.443 0 1 HIAF Fc1cccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCc2ccccn2)c1 82181502 RNKNKFJLJOLCAS-UHFFFAOYSA-N 414.444 4.475 0 1 HIAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]c(CCC#N)nc1C 142890806 RRTMIYNAKDQKDZ-UHFFFAOYSA-N 409.493 4.261 0 1 HIAF Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(Cl)c2)c2c(N)ncnc21 95552680 KWZXRCBCAYLKPI-UHFFFAOYSA-N 417.900 4.003 0 1 HIAF CCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3ccc4ccccc4c3)nc2C)c1 96272404 WOJQUKGFGFSIFL-UHFFFAOYSA-N 419.506 4.123 0 1 HIAF O=C(Nc1cc[nH]n1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 95562711 RXJYFAHMWJWBOJ-UHFFFAOYSA-N 411.893 4.205 0 1 HIAF CC(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 117428802 FVWMDPLFGXHGCN-FQEVSTJZSA-N 402.454 4.186 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792030 OAOZUGPYGXHZEQ-AYLIAGHASA-N 409.299 4.283 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C)c(Cl)cc4[nH]3)CC2)cc1 586955610 SYCOHMFYDFNTSB-UHFFFAOYSA-N 403.935 4.401 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc3ccccc3c12 587791654 KJJQYGFLWOESTK-MQJDWESPSA-N 411.274 4.471 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](N)Cc1ccc(O)cc1 587859363 WUWCXCYBMLOVCD-KRWDZBQOSA-N 420.296 4.171 0 1 HIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O 587808440 QCSCVPAQLHTTAB-PRWKNARSSA-N 422.294 4.320 0 1 HIAF Cc1ccc(-c2nnc(SCc3nc4cc(-n5cccn5)c(F)cc4[nH]3)n2C)cc1 586965890 UMDLEFJRLMETBS-UHFFFAOYSA-N 419.489 4.284 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(OC)c(OC)c1)CC2=O 587481780 HOGCAWPXYKMJHH-HXUWFJFHSA-N 408.454 4.459 0 1 HIAF O=C(CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)Nc1cccc(F)c1 587163739 UXYBLKSUCZBKIG-UHFFFAOYSA-N 402.298 4.322 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(Cl)cc1 587867731 CUNROBYHQSPNHF-UHFFFAOYSA-N 411.767 4.345 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1CCCCCC1=O 587866259 HTTNMLVRRHPACL-UHFFFAOYSA-N 409.408 4.010 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Br)s1 587615040 VDTNAJVGFHXRJZ-BBRMVZONSA-N 404.241 4.314 0 1 HIAF CC(C)CN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587767016 HSSXIRUEFSWHMR-LRTDBIEQSA-N 417.322 4.369 0 1 HIAF CCC1=C(C)N[C@H]2c3nc4c(C)ccc5c4c(c3CCN2C1=O)-c1ccccc1C5=O 587096618 MBJCXBYEPVTKIS-RUZDIDTESA-N 409.489 4.425 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C(=O)OC(C)(C)C)CC2)N1 587768844 MUJJPZVGUHMSTM-BLVKFPJESA-N 411.315 4.472 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3CCOCC3)c2)N1 587775759 UTZFXJAZFSEVJL-ZUOKHONESA-N 405.311 4.048 0 1 HIAF O=C1C[C@@H](c2ccc(OCCO)cc2Br)Oc2c1ccc1c2CCCC1 587504346 RNLFFCFLGBRAEH-FQEVSTJZSA-N 417.299 4.406 0 1 HIAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COC(C)=O 587807799 NOCBKIPIISCKAB-GIPWTMENSA-N 422.294 4.284 0 1 HIAF CCn1ncc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587705870 NUWMECRNBHYXNW-JDNHERCYSA-N 420.248 4.453 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(=O)n(Cc4ccc(C)cc4)c1)[C@@H](C2)C3=O 587420813 MBAKKKRVSZYKSL-MBSDFSHPSA-N 421.880 4.356 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccccc1CN1CCCC1)C1CC1 963612655 SWODZWPTOOJUCE-HFJWLAOPSA-N 406.570 4.487 0 1 HIAF Cc1c(O)ccc2c1[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2CSc2ccccc21 963551297 MUFTYPVPDAJMQU-YADARESESA-N 403.503 4.197 0 1 HIAF C[C@@]1(Cc2c[nH]c3cccc(F)c23)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975158 XRDJAQXAOWDUSD-YWZLYKJASA-N 408.807 4.295 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccccc1)c1ccc(OC(C)=O)cc1 963636027 OEACLVIJRRNOFR-QLXKLKPCSA-N 417.505 4.455 0 1 HIAF COc1ccc(-c2cc(NC(C)=O)nc(-c3ccc(OC)c(OC)c3)c2)cc1OC 1772635686 OFIYEANYIUONIO-UHFFFAOYSA-N 408.454 4.408 0 1 HIAF COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(C(=O)O)CC2)c(C)c1 13470571 NYVZFKRSOAYVOZ-CSKARUKUSA-N 411.523 4.491 0 1 HIAF Cc1c(F)c(Oc2cccc(N(C)C)c2)nc(Oc2cc(C(=N)N)ccc2O)c1F 13474060 INIAMHAOELUABG-UHFFFAOYSA-N 414.412 4.308 0 1 HIAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCCc2ccccc2)C1 13677480 SRRVLPVASMWVKI-UNMCSNQZSA-N 417.018 4.467 0 1 HIAF CCN(Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)C1 15072847 WSKVQSJEENKJHK-IBGZPJMESA-N 421.994 4.027 0 1 HIAF O=C(O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)N1CCCC1 206039471 XFBAAVHBPXUBCO-HXKBJWFLSA-N 410.558 4.401 0 3 HIAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cncs1 1857546724 QTMLMTIRGXYICF-UHFFFAOYSA-N 402.401 4.234 0 1 HIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2CO)c1C 841587 GZLDUSIMSNVXNL-UHFFFAOYSA-N 414.527 4.450 0 1 HIAF COc1cc(CNc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc(OC)c1 1663404 OTGVAFMQBNEXER-UHFFFAOYSA-N 401.470 4.091 0 1 HIAF O=C(C1=N[C@@H](c2c[nH]c3cc(Br)ccc23)CN1)c1c[nH]c2ccccc12 13885712 BYNAFSYAUGRDSZ-GOSISDBHSA-N 407.271 4.337 0 1 HIAF biogenic CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@@]4(C)[C@@H]3CC[C@]12C 26384793 JPOAJVXSZNVFCE-XUHZDXCLSA-N 406.586 4.282 0 1 HIAF COCCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2cccc(C)c21 28465134 ZJBOBFWQWAFFNT-UHFFFAOYSA-N 405.542 4.075 0 1 HIAF COCO[C@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 28476971 ASVJPCQXPWNHDI-MLNNCEHLSA-N 403.469 4.295 0 1 HIAF O=c1c2ccccc2nc2n1CC[C@H]2Cc1ccc(OCCCN2CCCCC2)cc1 40394599 CMEVQXVSXFVNFH-NRFANRHFSA-N 417.553 4.381 0 1 HIAF COc1oc(=O)c2cc(NC(=O)C[C@@H](CC(=O)O)c3ccccc3)ccc2c1Cl 40465809 MRUHKADDNPNMRA-ZDUSSCGKSA-N 415.829 4.042 0 1 HIAF O=C(CCSc1nnc(-c2cccnc2)o1)Nc1ccc(Br)cc1 47080751 UKEHFFMPMHCDAQ-UHFFFAOYSA-N 405.277 4.015 0 1 HIAF CCCC[C@H](CC)CNc1nc(NCCCCO)nc2cc(OC)c(OC)cc12 82128020 ULBKJRLTKONLRC-INIZCTEOSA-N 404.555 4.460 0 1 HIAF O=C(c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1)N1CCCCC1 82133289 HEWDCHMDBWOOSW-UHFFFAOYSA-N 416.481 4.111 0 1 HIAF Cc1c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)oc2ccc(Cl)cc12 95572671 MQPOCGSNWJOACW-PZJWPPBQSA-N 409.917 4.225 0 1 HIAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C 100736994 XSYGBVSQKPLETJ-BURNTYAHSA-N 401.453 4.095 0 1 HIAF O=S(=O)(Oc1ccc(O)cc1)[C@H]1C[C@H]2O[C@H]1C(c1ccccc1)=C2c1ccccc1 101079056 WGUNGSLOGCNJMP-ZFGGDYGUSA-N 420.486 4.252 0 1 HIAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1ccccn1 103192250 GDQIEMYYSPUKAM-INIZCTEOSA-N 419.292 4.207 0 1 HIAF O=C1NC(=S)[C@@H](c2ccc(Br)cc2F)N1c1ccc2nc[nH]c2c1 113894408 CVLWWSXQLNSNGF-CQSZACIVSA-N 405.252 4.063 0 1 HIAF O=C(NCCc1ccccc1)c1nccnc1Oc1ccc(Nc2ccccn2)cc1 147587990 HEBUVYBAFGLYJA-UHFFFAOYSA-N 411.465 4.380 0 1 HIAF CCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C 202143704 UVCJVWDOTPZNJM-UHFFFAOYSA-N 402.520 4.289 0 1 HIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2cccc(C(C)(C)O)c2)n1 203904825 OVCKEDQEMPSRKO-QFIPXVFZSA-N 418.493 4.230 0 1 HIAF COc1cc(Nc2nc3n(n2)CCC[C@H]3c2ccc(F)cc2)ccc1-c1nc(C)no1 299835551 XHLUYXKYEUFUJS-KRWDZBQOSA-N 420.448 4.454 0 1 HIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587189274 AURDYULOVKNYBT-ZDUSSCGKSA-N 407.396 4.280 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3c2ccc(O)c3F)[C@@H]1c1ccc(F)cc1 587329135 CHWXUISCSBWRSM-AUSIDOKSSA-N 410.372 4.413 0 1 HIAF Cc1cc(F)cc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329923 DOGNAESXKLPMJB-AUSIDOKSSA-N 407.372 4.185 0 1 HIAF CCOC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587332787 BDDJYNKVJDFLRI-QPPBQGQZSA-N 421.424 4.377 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1CC 587475196 KBLCONDYZQRMBH-LFVRLGFBSA-N 417.502 4.242 0 1 HIAF C[C@@]1(Cc2nc(-c3ccc4c(c3)OCO4)no2)CC(=O)c2ccc3c(c2O1)CCCC3 587521238 APYUUUMFLRNURJ-DEOSSOPVSA-N 418.449 4.311 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)c(F)c1 587556159 VEYREIFLEDDHCN-OFNKIYASSA-N 402.381 4.420 0 1 HIAF COc1ccc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573094 ROTQDRGFQXYNHR-HYSFYKKLSA-N 417.461 4.333 0 1 HIAF COc1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1)O[C@@H](C)C2 587617475 PUMWKIXRBPETAE-QTEZRDCISA-N 404.418 4.427 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(N)c(F)c2F)N1 587716046 DDKXFQPPZPJDKO-GJEGPGMTSA-N 403.217 4.385 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)c3ccccc3)C2)N1 587767225 JFXBEQURSNMKAN-QKKBWIMNSA-N 417.322 4.254 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C(c2nccs2)(c2nccs2)N1 587853143 KZHQGXIKJBSTKT-SECBINFHSA-N 410.337 4.327 0 1 HIAF CCN(c1ccc(-c2csc(-c3ccc(Cl)cc3N)n2)cc1)S(C)(=O)=O 587922279 AOBSUBFMHNDWIZ-UHFFFAOYSA-N 407.948 4.499 0 1 HIAF O=c1c2ccncc2ncn1Cc1c(F)cc(-c2ccc3cnccc3c2)cc1F 653884644 OEACBVIYPYOQPG-UHFFFAOYSA-N 400.388 4.333 0 1 HIAF COc1ccc2c(c1OC)[C@@]1(CCCc3c1cnn3-c1ccc(F)cc1)N(C)[C@@H](C)C2 962572144 PQCRITQPNJPKEG-LMKMVOKYSA-N 421.516 4.485 0 1 HIAF CN(C)[C@H]1CCN(C(=O)Nc2ccc3sc(-c4ccc(F)c(F)c4)nc3c2)C1 1772652697 KTEFVJATZAPWCV-AWEZNQCLSA-N 402.470 4.409 0 1 HIAF CCN1CCC(c2cc(=O)n(CC)c3ccc(C(=O)N(C)c4ccccc4)cc23)CC1 1857562462 ZODBHOCHIZZOTM-UHFFFAOYSA-N 417.553 4.497 0 1 HIAF Brc1ccc(Cc2cn(C3CCN(Cc4ccccc4)CC3)nn2)cc1 1857584439 PXJRNSSFQSUUFC-UHFFFAOYSA-N 411.347 4.469 0 1 HIAF COc1cc(OC)c(-c2cn3ccc(N4CCN(C(C)C)CC4)cc3n2)cc1Cl 1857593822 WZGWHYYOHWACPP-UHFFFAOYSA-N 414.937 4.202 0 1 HIAF O=C(c1nnc2ccc(F)cn12)N1C[C@H]2C[C@@H](c3ccccc3C(F)(F)F)C[C@H]2C1 1857603758 ZCEIWUQKRKASFK-ZSOGYDGISA-N 418.394 4.153 0 1 HIAF COc1ccccc1-c1ccc(C(=O)N2[C@H](C(=O)O)CS[C@@H]2c2ccco2)cc1 1857744411 QUZDZTQMVADORW-LAUBAEHRSA-N 409.463 4.296 0 1 HIAF COc1cc(C=Cc2cccc(O)c2)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](O)C2 2356397697 QJARFBWPVJNMLR-WIOPSUGQSA-N 420.461 4.323 0 1 HIAF CC1=C[C@@]23C(=O)OC(C)(C)[C@H]1C[C@]2(O)CC1=C2C(=O)O[C@H](c4ccoc4)[C@]2(C)CC[C@H]13 2356587392 JJXOUNRHCCYHOY-OOANFXCDSA-N 424.493 4.013 0 1 HIAF COc1ccc(Nc2cc(C(=O)NCc3cccnc3)c3ccccc3n2)c(OC)c1 4910006 HUTUSUJIVLOJHW-UHFFFAOYSA-N 414.465 4.321 0 3 HIAF Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCCc2ccccc2)cc1 3785863 HZECOIWROWDTJD-QFIPXVFZSA-N 415.555 4.104 0 1 HIAF COc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@@H]32)ccc1O 6530566 DOHAFUYYATUHNR-XZOQPEGZSA-N 424.541 4.231 0 1 HIAF CC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 7096623 SFAFBPXWVOZRSV-UHFFFAOYSA-N 406.413 4.298 0 1 HIAF biogenic CC[C@H](c1ccc(C(F)(F)F)c(F)c1)n1c(C(=O)OC)c(C(=O)OC)[nH]c1=S 28339654 BGCOHZMNJQSDIL-LLVKDONJSA-N 420.384 4.276 0 1 HIAF COc1ccccc1N1C[C@H](C)N(C(=O)c2cc(Cl)c(N)c(Cl)c2)[C@H](C)C1 36286440 MCGVBZPHMZCELG-BETUJISGSA-N 408.329 4.324 0 1 HIAF COc1cccc(-c2c(-c3ccncc3)nn3c(C4C[C@@H]5CC[C@H](C4)N5)ccnc23)c1 45261378 QBKVXGRJENYUEM-IHWFROFDSA-N 411.509 4.465 0 1 HIAF O=c1[nH]c(CNc2cccc(O)c2)nc2c1sc1ccc(Br)cc12 45315310 SLGWCOFFSAFFES-UHFFFAOYSA-N 402.273 4.218 0 1 HIAF Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1I 66103845 BKTHXPCFOIAMIO-UHFFFAOYSA-N 413.671 4.481 0 1 HIAF CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1-c1cccc(F)c1 82082098 XEZMTWYBNACVQY-UHFFFAOYSA-N 423.448 4.371 0 1 HIAF CCC(CC)c1nc2c(NCc3ccccc3)ncnc2n1CCCN1CCCC1=O 82178690 QAEVDDUXAZKHOQ-UHFFFAOYSA-N 420.561 4.355 0 1 HIAF CC[C@H]1COc2c(OC)ccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 95554089 GZYUOGNPBFAMCO-OQGGWEOTSA-N 422.525 4.052 0 1 HIAF Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)cc1C 101039369 BSJFUDDWWBQBJR-OYRHEFFESA-N 419.477 4.023 0 1 HIAF Cc1cc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)ccc1Br 103266659 MJHUOIKFZJDXDI-UHFFFAOYSA-N 410.215 4.158 0 1 HIAF O=C(O)c1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2F)cn1 143183523 LSGILDURLDUSRG-UHFFFAOYSA-N 422.347 4.046 0 1 HIAF CCc1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 586945506 HXIYSXXXHMHZNC-UHFFFAOYSA-N 403.554 4.394 0 1 HIAF CCOC(=O)/C(=C/N(C)C)c1nc2cccc3c2c(c1CC)-c1ccccc1C3=O 587104782 WCFJRZJJXTVPEG-XMHGGMMESA-N 400.478 4.474 0 1 HIAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)c(F)c2)c1 587139831 ZMJRTASWBMHOMK-UHFFFAOYSA-N 416.434 4.241 0 1 HIAF N[C@@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1F 587142882 PDTSAYGXUGNZNN-QMMMGPOBSA-N 406.152 4.263 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2F)c1 587143979 OMGZDZUQBHAXEF-UHFFFAOYSA-N 406.369 4.441 0 1 HIAF CCOC(=O)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379114 WZWLCNNZOZZOKD-UGKGYDQZSA-N 412.438 4.410 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416582 DESGZWFJRMJMDA-ZEQUCBBFSA-N 414.299 4.176 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1cnn(-c4ccccc4)c1)(c1ccccc1O)[C@@H](C2)C3=O 587433458 YODQODWQGIXZGE-LVXARBLLSA-N 424.456 4.278 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CCCOC)([C@H](C)NC(=O)OC(C)(C)C)CC2=O 587469104 IGVJZQHDSMBOKE-NPMXOYFQSA-N 421.534 4.389 0 1 HIAF C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCO)CC(=O)c2ccc3c(c2O1)CCCC3 587512491 YHEPTNQIJVUZCY-FYSMJZIKSA-N 417.546 4.345 0 1 HIAF CCn1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C(F)(F)F 587554065 GSOAFDMCNSCOFE-CRAIPNDOSA-N 404.344 4.330 0 1 HIAF Cn1cc([C@@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587570144 KIQXFJRNTAEHEY-XUZZJYLKSA-N 416.408 4.170 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)[C@@H]1CCCNC1 587597462 UPRDCNKMMDIYED-BLFHIAQRSA-N 415.489 4.335 0 1 HIAF CCn1cc(Cl)c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)OC)n1 587621733 HURAWJBPPOPZTO-UHFFFAOYSA-N 422.670 4.130 0 1 HIAF O=C(CCc1ccc(O)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657100 UVAOJXDQHVYTPO-UHFFFAOYSA-N 406.388 4.320 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccn3)C[C@H]2C)N1 587759333 FXNVVRHSANLAPQ-PZPWOCDFSA-N 418.354 4.255 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2O[C@H](C)C(=O)O)N1 587791190 IZZOPZYDWWRCPP-YRUZYCQGSA-N 408.267 4.064 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCC(=O)O)c2)N1 587798428 XUCFFPUEXOZGFG-JEOXALJRSA-N 408.267 4.065 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)s2)N1 587853435 MZQHMUCQOUTNOS-PWCHPLFNSA-N 406.118 4.431 0 1 HIAF CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)C1 618007262 XIKSKMWFYAYAHG-HNNXBMFYSA-N 400.906 4.182 0 1 HIAF O=C(Cn1cccc(NC(=O)c2ccccc2)c1=O)Nc1ccc(Cl)c(Cl)c1 653710308 RYQUPYCEUNCJPB-UHFFFAOYSA-N 416.264 4.046 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2nccnc2NC(=O)OC(C)(C)C)N1 962940549 CWVZBSPRZDLCTG-QKFKETGDSA-N 407.518 4.493 0 1 HIAF Cc1cc([C@]2(c3ccc(F)c(F)c3)NC[C@H]3CC(=O)N(C)c4cccc2c43)ccn1 963028430 PCOVOVWVFUKRIA-MYYSRTQBSA-N 405.448 4.013 0 1 HIAF COc1ccc2[nH]c(C(=O)N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2c1 1772593080 GEOGGNNXGKSEPC-UHFFFAOYSA-N 420.900 4.341 0 1 HIAF c1ccc(CN2CCC(Cn3cc(CSc4nc5ccccc5[nH]4)nn3)CC2)cc1 1857547965 PPCLZSQPGRUGBH-UHFFFAOYSA-N 418.570 4.359 0 1 HIAF Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2Cn2cnc3c(Cl)ncnc32)cc1 1857765158 OTSXCGZWQGDGSQ-GOSISDBHSA-N 402.889 4.471 0 1 HIAF CC(=CCCC(=CC[C@@H](O)C1=CC(=O)O[C@@H]1O)CO)CCC1=C(C)CCCC1(C)C 2356421462 KSNNYMFBQQASJN-VWNXMTODSA-N 418.574 4.491 0 1 HIAF COC[C@@H](CC=Cc1ccc(OC)c(OC)c1)[C@@H](O)c1ccc(OC)c(OC)c1 2356682115 DYVFUMMQRMNAMH-JPYJTQIMSA-N 402.487 4.121 0 1 HIAF CC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1CC[C@@H]1C[C@@H](O)CC(=O)O1 3779573 IGQJDRRAFAJNLM-RTBURBONSA-N 423.488 4.196 0 1 HIAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NCc2cccnc2)C1 4924589 MZQRWYSMDDPLNV-LJQANCHMSA-N 424.932 4.227 0 1 HIAF CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]12 5599233 IFIFFBWHLKGTMO-LDIGTXGYSA-N 406.563 4.275 0 1 HIAF CC(C)C(CC(=O)OC[C@]1(CO)C/C(=C\CCc2ccccc2)C(=O)O1)C(C)C 13704206 IFMWIZOXMVQJKH-GWZGDKMZSA-N 402.531 4.085 0 1 HIAF COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@@H]1CC4)[C@@]31CC[C@@](OC)(C(C)C)OC1 14955714 NYUJYFZXEOGHOB-QDDIGRFNSA-N 417.590 4.023 0 1 HIAF biogenic CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@]12C 26387052 WNENMRZSIGSSCW-KNUBFYOKSA-N 400.607 4.190 0 1 HIAF CC(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)C1 28572123 QSYYXXNSCFXCDV-HXUWFJFHSA-N 415.497 4.084 0 1 HIAF CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(NCCCN)nc21 45261842 HSKXZTUXRLLKTQ-UHFFFAOYSA-N 415.545 4.447 0 1 HIAF CCN(CC)C(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72186104 GSEFSVZYKRVOEJ-NRFANRHFSA-N 400.954 4.340 0 1 HIAF COCCn1c(-c2ccc(OC)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82187719 NZYUQLQCPIHNPR-QGZVFWFLSA-N 417.513 4.364 0 1 HIAF Nc1ccc(Oc2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cc1N 84669277 YVPHGCMMEPWWKG-UHFFFAOYSA-N 423.416 4.463 0 1 HIAF O=C(c1ccccc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO 95878316 GEDLLFRQMJGBKD-OYDLWJJNSA-N 402.469 4.483 0 1 HIAF Cc1occc1C(=O)Nc1cccc([C@@H](C)Nc2ncnc3c(C(N)=O)cccc23)c1 114348223 WVHAMWAJDWCCNB-CYBMUJFWSA-N 415.453 4.056 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1ccc([C@H]2CO[C@](C)(C(=O)O)OC2)cc1 140401395 VMRVLXSFEVVDME-QRTMHTFLSA-N 409.438 4.160 0 1 HIAF CN1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)CC1 141481026 OBBSJJGVJVLEEI-UHFFFAOYSA-N 401.510 4.059 0 1 HIAF CC(C)Cn1cc(-c2cc(CO)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144919914 JYWQODRSAUHYDG-NRFANRHFSA-N 402.416 4.477 0 1 HIAF O=S(=O)(NCC1CC1)c1ccc(Nc2ccc(F)cc2F)cc1C(F)(F)F 145084939 SDRWZARPOTZJEG-UHFFFAOYSA-N 406.376 4.416 0 1 HIAF COc1c([C@@H](C)Nc2ncnc(N)c2C#N)cc(Cl)c(F)c1-c1cncc(F)c1 146973913 NONXFQMPUCRQOF-SECBINFHSA-N 416.819 4.106 0 1 HIAF C[C@H](Cc1ccco1)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166687720 LVPOQJXWDIWWGG-OAHLLOKOSA-N 407.445 4.327 0 1 HIAF CN1CCC(c2cc3c(-c4cccc(NCC5CCOCC5)n4)ccnc3[nH]2)CC1 220206067 SRKUKIVBBDFOGG-UHFFFAOYSA-N 405.546 4.273 0 1 HIAF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(=O)CCCC(=O)O)ccc3CC[C@@H]12 473127968 XFOIMGUDRNUVMG-YSZBQJHXSA-N 402.487 4.030 0 1 HIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 586915819 ILPUFDHWGSACIK-ZMZPIMSZSA-N 404.239 4.076 0 1 HIAF O=S(=O)(c1cc(-c2nc3cnccc3[nH]2)ccc1Cl)N1CCc2ccccc21 586956335 GUEDGLMHKSOLSO-UHFFFAOYSA-N 410.886 4.030 0 1 HIAF CSc1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 586986479 XVQMNJFXNGUBNA-MRXNPFEDSA-N 404.333 4.467 0 1 HIAF Nc1nc(-c2cccc(-c3nc4cccc(I)c4[nH]3)c2)cs1 587021655 OTDSBFPEQPNCOT-UHFFFAOYSA-N 418.263 4.540 0 1 HIAF C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](n2cncn2)C1 587343634 UMSNSZABMLAZDI-UYILYCRRSA-N 407.445 4.282 0 1 HIAF COCC[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361416 YLLSRYXHHORVGP-GMAHTHKFSA-N 400.446 4.092 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587420102 DQZPETUKJBQDOM-MGPUTAFESA-N 405.372 4.249 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C[C@@H]1OCCc3ccccc31)(C(=O)OCC)CC2=O 587494207 XSNGTKMLYQUFSC-WIOPSUGQSA-N 424.493 4.316 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(Br)c2)N1 587688167 WZDSPIVNZPUWGF-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCN(C)C)cc2)N1 587739139 FZYYIOZLOAXSJN-ZUOKHONESA-N 407.327 4.152 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796535 LBTPXNZTMULPHM-RNODOKPDSA-N 406.295 4.238 0 1 HIAF C[C@H](Oc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1)C(=O)O 587797377 WOANATGXRFZMER-DDBGAENHSA-N 408.267 4.064 0 1 HIAF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C(=O)O)=CO2 587839168 QVSQHBCEOWYYHJ-YBTHPKLGSA-N 418.262 4.035 0 1 HIAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4cccnc4)cc3)c2)c1 653864186 ZHQYQFZNWYJADO-UHFFFAOYSA-N 424.460 4.074 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)c2cccc(F)c2CCN1[C@H]1CCSC1 962723083 ZWLLDIFVMXQQLD-SBUREZEXSA-N 412.530 4.174 0 1 HIAF CC(C)(C[C@]1(c2cccc3ccccc23)N[C@H](C(=O)O)Cc2cccc(F)c21)C(=O)O 962900189 ICXJLMPIFFZLSU-NBGIEHNGSA-N 421.468 4.322 0 1 HIAF Cc1cc(C)c(CN2CCc3c(Cl)cc([C@@H](C)CO)c(Cl)c3C2=O)c(O)n1 1772577545 GMVWARWJGLYCAS-NSHDSACASA-N 409.313 4.005 0 1 HIAF O=c1ccc2cc3ccoc3c(OCc3cn(Cc4cccc(Cl)c4)nn3)c2o1 1772652326 INUGPEQNEMTHSS-UHFFFAOYSA-N 407.813 4.411 0 1 HIAF C[C@H](Cc1nc(=Nc2ccc(Cl)cc2)s[nH]1)NC1CC(C)(C)NC(C)(C)C1 1857765164 QCJZDRYTBRNZRB-CYBMUJFWSA-N 408.015 4.187 0 1 HIAF CC=C(C)C(=O)O[C@H]1[C@H](OC(=O)C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C 2356480709 NMJFVCKFWDELPC-UXHICEINSA-N 414.454 4.082 0 1 HIAF C[C@H](O)c1cc(OCCCC(C)(C)C(=O)O)ccc1OCCCC(C)(C)C(=O)O 25976548 LGDYGZDFADAIPU-HNNXBMFYSA-N 410.507 4.280 0 1 HIAF Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccc(C(N)=O)cc1 28640557 ZQJBRLWDTVCLEY-UHFFFAOYSA-N 401.293 4.202 0 1 HIAF CN(C)CCCNc1cc(-c2cccc(CN3CCN(C)CC3)c2)nc2ccccc12 28640667 CMVYJNQVFWNCQQ-UHFFFAOYSA-N 417.601 4.013 0 1 HIAF Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 28889898 OJRJMVSTODBILF-UHFFFAOYSA-N 409.799 4.352 0 1 HIAF Cc1cc(NC(=O)C(=O)c2cn(Cc3cc(C(C)C)no3)c3ccccc23)sn1 29415955 XQHTVWRCBADBIT-UHFFFAOYSA-N 408.483 4.387 0 1 HIAF CN(C(=O)[C@@H]1CCCc2ccccc21)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1 71333187 NCHMLYQLIKIWRI-WIYYLYMNSA-N 416.521 4.162 0 1 HIAF CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3ccoc3)cc12)C(=O)O 73222417 JYGJKRYSCVUTOS-FQEVSTJZSA-N 413.451 4.234 0 1 HIAF O[C@@H](CNCc1cccc(Br)c1)Cn1c2c(c3ccccc31)CCCC2 73349674 HMLQMNUAGJUKIV-SFHVURJKSA-N 413.359 4.433 0 1 HIAF O=C(c1cnc(NCC2CC2)nc1-c1ccc(-c2ccccc2)cc1)N1CCOCC1 82153263 UDXWWXYGZMJYSZ-UHFFFAOYSA-N 414.509 4.105 0 1 HIAF C[C@H](Cc1nc2c(NCC3CC3)ncnc2n1CCN1CCCCC1)c1ccccc1 82184813 DZFROPQJDJIWGA-LJQANCHMSA-N 418.589 4.480 0 1 HIAF Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3C(=O)OC(C)C)c1C 101417556 BEXZFOIZBGPZMM-IRXDYDNUSA-N 412.490 4.200 0 1 HIAF CCCS(=O)(=O)Oc1ccc2c(c1)[C@H](C1(c3cccc(F)c3)CCC1)NCC2 114981580 RFYULKFCKDZSCR-OAQYLSRUSA-N 403.519 4.253 0 1 HIAF c1ccc(CNc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)cc1 148944865 UZCIIKBMBWPCPB-QGZVFWFLSA-N 402.527 4.139 0 1 HIAF NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)CCc4ccc(F)cc4)c3)c2c1 164808469 FREJBVPDBIZEDU-UHFFFAOYSA-N 402.429 4.039 0 1 HIAF CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCC(C)C)c1 169707081 QZHSCRHYMBRPDZ-MRXNPFEDSA-N 418.488 4.173 0 1 HIAF O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1ccc(Cl)cc1 205736765 KPWMKCJBZCJCIA-UHFFFAOYSA-N 407.904 4.128 0 1 HIAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(Cl)c(C)c4[nH]3)c2)o1 586923507 OEWDIULDRDEOMD-UHFFFAOYSA-N 416.890 4.111 0 1 HIAF CC(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 586958639 GYVPVMHWQNDWRQ-XMMPIXPASA-N 405.317 4.268 0 1 HIAF [O-][n+]1ccccc1SCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586969341 JMGARLLJQNOWGA-UHFFFAOYSA-N 420.210 4.150 0 1 HIAF COc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1C 587001293 XLCOYHYBJHGYBA-UHFFFAOYSA-N 401.216 4.121 0 1 HIAF Nc1nc(-c2cccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2)cs1 587021743 QFAXNVRWKUHNAC-UHFFFAOYSA-N 415.272 4.396 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 587044062 YIKJQLOEENHQBN-AWEZNQCLSA-N 422.293 4.312 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 587075305 BAZUVZCSRDHBFX-UHFFFAOYSA-N 417.252 4.492 0 1 HIAF CC(=O)N[C@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(C)cc1 587207407 SNWOFMOLEUFRMW-CYBMUJFWSA-N 407.699 4.102 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(CCC(=O)c1ccc(Cl)cc1)O2 587377058 GLGUSDGZTHUXRZ-QFIPXVFZSA-N 415.873 4.463 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O 587441476 FWOSTVJYPITSPS-PGRDOPGGSA-N 407.466 4.435 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cn3cc(Br)ccc3n1)CC2=O 587457896 CYJMPEHEWOAHMK-QGZVFWFLSA-N 401.260 4.461 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Br)ccc1F 587570754 XTEAFXLALXFLCR-KXBFYZLASA-N 416.202 4.392 0 1 HIAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605995 CPTUVANJYSXMPQ-JDGBCZCZSA-N 408.450 4.394 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)nn2C)N1 587723774 XVCYLDBHUTYRQJ-GLEZIHRCSA-N 406.221 4.138 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCSCC3)nc2)N1 587858222 ZNFTVKXYTVQNDT-BLVKFPJESA-N 422.367 4.160 0 1 HIAF COc1ccc(CCCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1OC 587927388 TYJQADCSCVJHRH-UHFFFAOYSA-N 419.275 4.216 0 1 HIAF Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587945092 HWLFGMKRIKRWNW-UHFFFAOYSA-N 415.222 4.242 0 1 HIAF O=C(O)c1nc[nH]c1[C@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1 962705235 KPXBWYGCXGANDG-QFIPXVFZSA-N 405.479 4.113 0 1 HIAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(F)c3)cc2NC(=N)C1 1772616244 GVMUREDREVAXEH-UHFFFAOYSA-N 423.492 4.298 0 1 HIAF CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 1857549786 OKISXZNTABKJAU-ZDUSSCGKSA-N 414.600 4.387 0 1 HIAF Cc1cccc(O)c1C(=O)C[C@H]1CC[C@H]2[C@@H]3C(=O)c4c(C)cccc4O[C@@H]3CCN21 1857600103 KNJADUGVIYKDFZ-FEQANGJYSA-N 405.494 4.079 0 1 HIAF CC(C)CNc1nccc(=NCCCN[C@H]2CCCc3c2[nH]c2ccc(F)cc32)[nH]1 1857610292 NLHIMYBZHZIEHG-FQEVSTJZSA-N 410.541 4.056 0 1 HIAF Cc1csc(N2CCN(c3cc4[nH]c(-c5ccncc5)nc4cc3Cl)CC2)n1 12470792 UQARHRUZVFJDBS-UHFFFAOYSA-N 410.934 4.370 0 3 HIAF O=C(CCc1ccccc1Cl)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 20450789 CLPXAGLSWCNDIA-MRXNPFEDSA-N 411.855 4.472 0 3 HIAF COC(CN(C(C)=O)[C@@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21)OC 1645613 BUBJVDFCKSCMCQ-MRXNPFEDSA-N 406.573 4.103 0 1 HIAF CC(C)N(CC[C@](CCN1CCCCC1)(C(N)=O)c1ccc(Cl)cc1)C(C)C 40465282 CVYQFIMHRMESMK-QHCPKHFHSA-N 408.030 4.448 0 1 HIAF COCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccccc2F)n1 82153248 MIGXFIMIHQXVJZ-UHFFFAOYSA-N 422.504 4.392 0 1 HIAF Oc1cccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCc2ccccn2)c1 82178264 ODFLBBXQCKZNQZ-UHFFFAOYSA-N 422.492 4.449 0 1 HIAF CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1 96272192 AHKAIGXAFJEQRP-HXUWFJFHSA-N 419.997 4.098 0 1 HIAF CC(=O)OC1=CC[C@@H]2C(=C1)[C@@H]1c3cc(OC(C)=O)ccc3C[C@@H]2N(CC2CC2)[C@@H]1C 100931702 VDLWVSZLAVPKEP-WNFZFZCDSA-N 407.510 4.128 0 1 HIAF CN(C(=O)c1c(O)c2cc(Oc3ccccc3)ccc2n(C)c1=O)c1ccccc1 101344899 IDKZWCATCAYZCH-UHFFFAOYSA-N 400.434 4.313 0 1 HIAF O=C(c1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1ccccc1)C2 103097199 UNDOSNUTINOISG-DZFIZOCASA-N 423.456 4.315 0 1 HIAF COc1cccc(N2CCC([C@@H](O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 141418591 YXSZGMKEEIZJRX-INIZCTEOSA-N 417.859 4.150 0 1 HIAF C[C@@H]1CCC/C=C\CCC(=O)C[C@@H](O)C/C=C/C=C\[C@@H](O)C/C=C\C=C/C(=O)O1 169291717 KMKZBIGDFUKDCN-RVHLHDFHSA-N 402.531 4.124 0 1 HIAF CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc21 169309888 XMYUQPZEVYTYAU-LJAQVGFWSA-N 424.909 4.027 0 1 HIAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccc4[nH]ncc4c3)nn3ccnc23)n1 207368742 VEHHNPXQTIIXQL-HNNXBMFYSA-N 410.485 4.400 0 1 HIAF O=C(O)C[C@H](c1ccccc1)c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12 238773439 RUUOHICPMWEQKV-MRXNPFEDSA-N 418.401 4.183 0 1 HIAF O=c1c2cc(OCCCN3CCCCCC3)ccc2nc2n1CCc1ccccc1-2 299825848 CMHSZUJWIWDLDH-UHFFFAOYSA-N 403.526 4.265 0 1 HIAF CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]32)C1 504643248 NBZXMBPRBWXSSQ-FVSSPRLWSA-N 401.591 4.414 0 1 HIAF biogenic CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586935389 GWHABCLGHSQOJX-INIZCTEOSA-N 418.588 4.028 0 1 HIAF Cc1[nH]c(-c2ccco2)nc(=O)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987797 GMBJMKDPAYSHIF-UHFFFAOYSA-N 421.412 4.471 0 1 HIAF Fc1cc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 587005754 QMRXHAORCHBKRL-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cncnc2[nH]1 587074582 ZPQIYVYWULSZCF-NRFANRHFSA-N 413.909 4.475 0 1 HIAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c(F)c2)c1 587138485 KTWAUWIOWPGHCK-UHFFFAOYSA-N 406.348 4.455 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccnc(Br)c2[nH]1 587167260 JRFAHQFUZKKLND-CYBMUJFWSA-N 404.243 4.229 0 1 HIAF COC(=O)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587182838 PFMSRNRNTPNDNO-UHFFFAOYSA-N 412.614 4.275 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587232052 RYKMGTZISFPYBM-WDEREUQCSA-N 419.831 4.151 0 1 HIAF Nc1cc(C(=O)O)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587249463 MHSUQEXORQWTMB-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCN3Cc4ccccc4N[C@@H]32)[C@@H]1c1ccc(F)cc1 587348410 RQYBVONHAYRVHW-PZUNEJSGSA-N 416.452 4.287 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ncccn1 587569966 JRVRJEQDXNRNAT-GBXCKJPGSA-N 414.392 4.227 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccc(F)cc3c2=O)N1 587734366 QXULHHNFPHTNQE-YYSFKGJASA-N 406.226 4.457 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587737063 WAUHQTWJPZMFGP-WYRIXSBYSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCOCC3)c2)N1 587769423 AYOUQQUBONFLAF-XCLFUZPHSA-N 405.311 4.048 0 1 HIAF CC(=O)NCc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587847893 MLZWTNNOEKYNTL-YPMLDQLKSA-N 411.340 4.084 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OC(F)F)c(OC)c1 587871553 ZMFFBDDJCDKRBU-UHFFFAOYSA-N 406.360 4.386 0 1 HIAF Cc1ccc(F)c2c1NC(=O)[C@]21NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949225 DQGJKVVKMIXLID-OAQYLSRUSA-N 420.406 4.000 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)c(F)c2)c2ccsc2CCN1Cc1cccnc1 962989597 ACJAYGDFUIDFFQ-QHCPKHFHSA-N 410.514 4.456 0 1 HIAF CCCNC(=O)c1c(CSc2ccccc2)noc1C(=O)NCc1ccccc1 13660871 NMUUESHWDPWHRF-UHFFFAOYSA-N 409.511 4.037 0 3 HIAF Brc1cccc(Nc2ncnc3sc4c(c23)CCC2(C4)OCCO2)c1 1655215 GXJJVTJFJZOXHQ-UHFFFAOYSA-N 418.316 4.429 0 1 HIAF CCN(CC)C(=O)Cn1c(-c2ccccc2Cl)nc2sc(C)c(C)c2c1=O 3017711 AZDXCVIZJBPEND-UHFFFAOYSA-N 403.935 4.264 0 1 HIAF COC(=O)[C@H](NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1 13762422 KRJLKXJBFDJOJK-HSZRJFAPSA-N 412.445 4.252 0 1 HIAF Cc1cc(CN2CCC(NC(=O)[C@@](O)(c3ccccc3)C3CCCC3)CC2)cs1 13835829 HEPQZYCRJHNVCR-XMMPIXPASA-N 412.599 4.215 0 1 HIAF COc1ccccc1N(C(=O)[C@H](C)OC)[C@H]1CCN(CCc2cccs2)C[C@@H]1C 26728321 MMLFNTYVDTXUQB-BJLQDIEVSA-N 416.587 4.078 0 1 HIAF COc1cc(Nc2nc(-c3cc(C(=N)N)sc3C)cs2)cc(OC)c1OC 28000083 RMXKAJHQDHWTJX-UHFFFAOYSA-N 404.517 4.233 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@]4(C)[C@@H]3CC[C@]12C 34801248 JPOAJVXSZNVFCE-AWQUGQBTSA-N 406.586 4.282 0 1 HIAF C[C@H](CCN1CCCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 62212966 IBVGIEOHRAWCBK-HXUWFJFHSA-N 423.601 4.322 0 1 HIAF O=C(NCCc1cccc(F)c1)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82140572 DXRSOHSJZCDJSB-UHFFFAOYSA-N 408.452 4.216 0 1 HIAF O=C(c1nccc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 146362573 GOISMCPNVMISAY-SFHVURJKSA-N 408.408 4.040 0 1 HIAF Cn1cc(-c2cc(C(=O)NCC(F)F)ccc2Oc2ccccc2)c2cc[nH]c2c1=O 146763282 PESGHFNOJXFWSQ-UHFFFAOYSA-N 423.419 4.321 0 1 HIAF COC(=O)c1ccc2c(N=O)c([C@H]3C(=O)Nc4c(Br)cccc43)[nH]c2c1 169729491 IORXLELOZPDJSV-ZDUSSCGKSA-N 414.215 4.199 0 1 HIAF O=C1c2cc3c(cc2C2(CC2)N1CCC1CCN(Cc2ccc(F)cc2)CC1)OCO3 206556599 OJFBDVHVFNQQJK-UHFFFAOYSA-N 422.500 4.302 0 1 HIAF CCOC(=O)c1cccc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)c1 218630916 OROSDPGIEXRTFT-UHFFFAOYSA-N 411.477 4.061 0 1 HIAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@H]3NC(=S)NC(=S)[C@H]32)cc1 253917012 AXYTWSCYIWVQDK-YZGWKJHDSA-N 406.532 4.120 0 1 HIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc1-2 587075122 CVYKVRHKXOCOEK-SECBINFHSA-N 402.163 4.247 0 1 HIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(O)c2[nH]1 587114644 WHDMZDJZAVUJMD-NSHDSACASA-N 400.198 4.292 0 1 HIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587191747 YOIAEXKYXSDPSF-FQEVSTJZSA-N 406.486 4.404 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 587204124 INBONGBJKAURAP-CQSZACIVSA-N 409.914 4.485 0 1 HIAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 587328590 BAIIZUJMTPVFMG-FYYLOGMGSA-N 408.356 4.234 0 1 HIAF C[C@]1(CSc2nncs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372715 FZLDBUGQZRNHKD-QFBILLFUSA-N 402.472 4.293 0 1 HIAF CC(=O)N1CCC([C@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)CC1 587376411 CERQXUZNIFKZFM-HSZRJFAPSA-N 412.917 4.350 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C)C(=O)O)(c1cccc(Br)c1)O2 587376713 JYGOWKVKQVWBIZ-YUNKPMOVSA-N 418.287 4.311 0 1 HIAF COc1cc2c3c(c1)O[C@@](CCc1ccccc1)(CP(=O)(OC)OC)[C@@H](C2)C3=O 587448897 MRFBJMAGUZYINL-AVRDEDQJSA-N 416.410 4.300 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5cc6c(O)nc(O)nc6nc5CC[C@]34C)[C@@H]1CC[C@@H]2O 587560993 LQFMJANYQLKFHH-VLHHAALISA-N 409.530 4.069 0 1 HIAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(C)=O 587593342 LQLSCGLKXOGYPN-AUSIDOKSSA-N 406.390 4.029 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sc(N)nc2C(F)(F)F)N1 587711781 IHNFMXVYELXQPW-RWBAJPLHSA-N 424.261 4.443 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2ccc(C(F)(F)F)n2)N1 587719658 LLZMWAMTWPHJMB-RFAUZJTJSA-N 406.221 4.253 0 1 HIAF C/C(=C\[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C 587740817 KPZHZQWEORLTCB-RNQNORQMSA-N 404.327 4.226 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cn3ccnc3)c2)N1 587755748 QKPBNFIIQNCNSI-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3cccn3)cc2)N1 587761458 UNXIBPUAAGCXJM-ZUOKHONESA-N 400.295 4.457 0 1 HIAF CCS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587849468 LVVSIVYTBJSCMY-VOJFVSQTSA-N 412.324 4.005 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)s2)N1 587853160 LAJQWBWCLOOBFL-SREIQFSDSA-N 406.118 4.431 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCCCC(=O)O)c1cccc(F)c1F 963635155 LRMSJMUFQLPYEH-PSLXWICFSA-N 419.468 4.405 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccccc1)c1ccc(OC(C)=O)cc1 963636025 OEACLVIJRRNOFR-MRDQGFSESA-N 417.505 4.455 0 1 HIAF C[C@H]1CC[C@H](NC(=O)c2cc(-c3ccccc3)nn(Cc3ccc(F)cc3)c2=O)CC1 1772648026 ZCJZEMHPXBFNJP-CYWCHRQTSA-N 419.500 4.406 0 1 HIAF Cc1ccc(CN2CCN(CCC(=O)Nc3nc(-c4ccccc4)cs3)CC2)cc1 1857597028 ISTSVSIWEWHSIU-UHFFFAOYSA-N 420.582 4.265 0 1 HIAF CC1=CC[C@@H]2[C@H]([C@H](C)C(=O)O)CC[C@]2(C)C[C@H](O)[C@](C)(O)CC=C2[C@H]1CC[C@]2(C)O 2356588611 BKGYJGMVRKCUQI-ZCSUGIQFSA-N 420.590 4.069 0 1 HIAF CC=CC=CC=CC(=O)O[C@@H]1C[C@H](C(=O)O)[C@H](C(=O)O)[C@]2(C)CCCC(C)(C)[C@H]12 2356849974 PNSRNDBLICHUMY-DUKGZVIDSA-N 404.503 4.225 0 1 HIAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)Nc2ccc3[nH]ncc3c2)cc1 61905513 YQGBYBJBNNGENU-DEOSSOPVSA-N 404.514 4.033 0 3 HIAF CSc1ccc(Cn2c(C)c(C(=O)NCc3ccc(F)cc3)sc2=O)cc1 61908551 GWWOACPRVDFCRB-UHFFFAOYSA-N 402.516 4.058 0 3 HIAF CC(=O)OCC1=CCC[C@@H]2[C@]1(COC(C)=O)CC[C@H](C)[C@@]2(C)CCC1=CC(=O)OC1 6037776 QFOVBSYLEHDSPP-KJVSTRANSA-N 418.530 4.135 0 1 HIAF biogenic Cc1c(F)c(Oc2cccc(NC(N)=O)c2)nc(Oc2cccc(C(=N)N)c2)c1F 13474019 AXFIMABPUCRVMM-UHFFFAOYSA-N 413.384 4.027 0 1 HIAF Cn1cnc2c(N(C(N)=O)c3c(F)cccc3F)nc(-c3cccc(Cl)c3)nc21 13488580 KHMNJSLYOSAPHZ-UHFFFAOYSA-N 414.803 4.179 0 1 HIAF CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)Nc1nc2ccccc2[nH]1 13747466 YAXPGZLLRDJCSZ-UHFFFAOYSA-N 416.503 4.255 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(O)cc1 36189290 HMUJTAJHDZMXNI-MNLGXKRNSA-N 408.542 4.244 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)C4=CC(=O)O[C@@H]4[C@@]3(C)[C@H](O)C[C@H]21 38938598 WXBIVFTUNMFIEW-BIDUORLQSA-N 402.575 4.239 0 1 HIAF in-vitro COC(=O)[C@@H](C)CO[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 40822688 DTDYALJYGJIMOO-AFMDSPMNSA-N 415.489 4.369 0 1 HIAF Cc1cc(=O)oc2cc(-c3ccc(NS(C)(=O)=O)cc3)c3c(c12)OC(C)(C)C=C3 43120402 QRZFOGFJFPDRRV-UHFFFAOYSA-N 411.479 4.324 0 1 HIAF CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@H]12 58482691 LAAZEJPVRHNOIV-QMKUDKLTSA-N 417.962 4.155 0 1 HIAF C[C@@H](c1ccccc1)c1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 72181129 JCSAEZOESPJBNO-IBGZPJMESA-N 410.521 4.223 0 1 HIAF CC[C@H](C)[C@H](NC(=O)c1ccc(N)c(OCc2ccc3ccccc3c2)c1)C(=O)O 84759604 JDIKWLDHFXRKFM-NYHFZMIOSA-N 406.482 4.230 0 1 HIAF CC(=O)N1C[C@@H]2C[C@@H]1CN2Cc1cc2ccc(Oc3nc4ncccc4s3)cc2o1 101656267 WWPUOYBBJXOXCR-JKSUJKDBSA-N 420.494 4.035 0 1 HIAF Cn1c([C@@H]2[C@@H]3Oc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4[C@H]32)nc2ccccc21 150309788 HJYUNCUCFSUWLN-RJGXRXQPSA-N 424.460 4.287 0 1 HIAF COc1cc([C@@H]2CC(c3nc4cc(C)c(C)cc4nc3C)=NN2)cc(OC)c1OC 199346937 FGSNQUAFDKJLOV-INIZCTEOSA-N 406.486 4.020 0 1 HIAF CN1CCN(CCOc2cccc(Nc3nccc(-c4ccc(Cl)cc4)n3)c2)CC1 205786869 XIJYZNBVXZTGOP-UHFFFAOYSA-N 423.948 4.167 0 1 HIAF O[C@H](COCc1ccc(OCc2ccccc2)cc1)CN1CCc2ccccc2C1 219732107 XEPPMWAJWHIXAA-VWLOTQADSA-N 403.522 4.201 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(CSC(C)(C)C(=O)O)[nH]c3c2)cc1 586958468 DIXFJYMETLRUBW-UHFFFAOYSA-N 400.456 4.238 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587043926 UWXCJCQQDSERBC-AWEZNQCLSA-N 407.417 4.267 0 1 HIAF COc1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144455 YZLQEKNEHGMSQX-UHFFFAOYSA-N 418.384 4.325 0 1 HIAF O=C1CC=C(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)NN1Cc1ccc(F)cc1 587164582 WYEGUMVMUFYGOD-UHFFFAOYSA-N 408.330 4.138 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2ncc(Cl)cc2[nH]1 587180610 IFVOLJAOGQSHRX-SSDOTTSWSA-N 401.639 4.050 0 1 HIAF C[C@@H](c1nc2cnnc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200342 YPLNASGMSNNZPI-ZDUSSCGKSA-N 415.453 4.000 0 1 HIAF COCCOC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349619 QGFVYXPMWIMZGJ-REWPJTCUSA-N 402.462 4.338 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3ccnc3)c(Br)c1)O2 587378970 XXUKEVFNUREPBD-HXUWFJFHSA-N 412.287 4.406 0 1 HIAF CCOC(=O)[C@H]1CN(c2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517810 VRNKDTZTSHVAGI-GJZUVCINSA-N 419.521 4.359 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1COC(C)=O 587589789 AJNFNRPJUYAZDK-ZJSXRUAMSA-N 420.417 4.167 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1cc2ccccc2o1)C(=O)O 587617915 RDOLKLJQEVQFOY-RDPSFJRHSA-N 416.385 4.166 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c(C(=O)C(F)F)c2c1 587648936 CZIROGCMRAWCIU-UHFFFAOYSA-N 407.482 4.487 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(C(=O)O)N1 587693966 FRSJVQPCWNWLPN-YPMLDQLKSA-N 412.686 4.298 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccccc3c2O)N1 587776202 BWFVCKJPDDOFKC-SBKAZYGRSA-N 417.278 4.345 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(C(=O)O)ccc1OC2(C)C 587835989 YIKJRBXIVYTMGS-CFMSYZGJSA-N 420.278 4.235 0 1 HIAF COc1ccc(-c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n[nH]2)cc1OC 587876626 USGDNNJYBDBIGQ-UHFFFAOYSA-N 406.373 3.891 0 1 HIAF COc1cc(C2(c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)CC2)ccc1C 587926653 KRKYWEKVDFEMLO-UHFFFAOYSA-N 410.417 4.253 0 1 HIAF Clc1ccc2c(c1)C1(CCOCC1)c1cc(Cl)ccc1N2CCc1nn[nH]n1 621432715 HPKAQFRFDYGVHN-UHFFFAOYSA-N 416.312 4.297 0 1 HIAF CC(=O)Oc1ccc(-c2coc3cc4c(c(OC(C)=O)c3c2=O)C=CC(C)(C)O4)cc1 685935704 AGMYTTPIBPJPBD-UHFFFAOYSA-N 420.417 4.495 0 1 HIAF biogenic,in-vitro COc1ccc2c(c1)[C@@H](c1ccccc1OCCCN1CCOCC1)N(C(C)C)CC2 962040945 DCKXWEFYQMQVIV-AREMUKBSSA-N 424.585 4.152 0 1 HIAF CCCNS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962942629 FZISXGXEZGTZRZ-GAJHUEQPSA-N 411.571 4.044 0 1 HIAF O=C1[C@@H](N2CC[C@H](c3ccc(O)cc3)C(F)(F)C2)CCN1Cc1ccc(Cl)cc1 1772577302 OIMXBHXLIVXEEQ-UXHICEINSA-N 420.887 4.271 0 1 HIAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC[C@@H](O)C1 1772647690 CTMRVPUKKRXAHX-OAHLLOKOSA-N 417.387 4.038 0 1 HIAF COc1ccc(C2=NN(C(C)C)C(=O)[C@@H]3CC=CC[C@H]23)cc1-c1ccc(C(N)=O)s1 1857574239 IXYHJKATNNCWRX-JKSUJKDBSA-N 423.538 4.060 0 1 HIAF COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 1857610874 KJSZFXLLGTVRIA-NVQXNPDNSA-N 419.521 4.237 0 1 HIAF C[C@H]1C[C@@H](NC(=O)[C@@H](O)C(C)(C)C)C[C@H](c2ccc(C(F)(F)F)c3nccnc23)C1 1857650524 BIPYJUZGNFXNSI-QGDIXAPHSA-N 423.479 4.444 0 1 HIAF O=C(c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)n1)N1CCOCC1 1857748175 UAXXGTWFNSSDQS-UHFFFAOYSA-N 402.281 4.319 0 1 HIAF CC[C@H](O)c1cc(=O)c2c(O)c3c(cc2o1)O[C@@](C)(CC=Cc1ccccc1)[C@H](O)C3 2356376594 VDUTYPQENGHNNX-JCNMPKRYSA-N 422.477 4.100 0 1 HIAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4049412 GUJNNORKEPTGQD-NOZRDPDXSA-N 415.537 4.390 0 1 HIAF CCC(=O)Oc1c2c(c(COC(C)=O)c3c(COC(C)=O)coc13)[C@@H](C)CCC2 13300498 ICTKNIHRITXMBQ-LBPRGKRZSA-N 402.443 4.314 0 1 HIAF biogenic Ic1cccc(COCC2(c3ccccc3)CCNCC2)c1 13781984 RAFDWIXSTUFXQE-UHFFFAOYSA-N 407.295 4.129 0 1 HIAF Cc1c(Sc2ccc(Cl)cc2)c2cc(S(C)(=O)=O)ccc2n1CC(=O)O 73156007 SYOJEOWVUQELIW-UHFFFAOYSA-N 409.916 4.242 0 1 HIAF CC(C)Cc1nc2c(NCc3cccc(F)c3)ncnc2n1CC[C@@H]1CCCN1C 82184537 UGBVLEBGOPLRSY-IBGZPJMESA-N 410.541 4.260 0 1 HIAF COc1cc(C(=O)NCc2cnc(-c3ccccc3)s2)ccc1-n1cnc(C)c1 84596211 HHIUYOBFQCAURM-UHFFFAOYSA-N 404.495 4.243 0 1 HIAF COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccnc(C)c4)ccc3n2)cc1 95589576 KFLXEKIKIYSSNO-UHFFFAOYSA-N 413.481 4.120 0 1 HIAF O=C(c1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 95877490 WMVYRBDHTHBYSW-CTUHWIOQSA-N 402.469 4.483 0 1 HIAF COc1ccccc1OCCNC[C@@H](O)CCOc1ccc2c(c1)[nH]c1ccccc12 96939530 XJUQNTIRRLLMPG-SFHVURJKSA-N 420.509 4.128 0 1 HIAF COc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccc(F)c(F)c4)c32)cc1 114314133 XMTBZIULKHYUFH-UHFFFAOYSA-N 401.434 4.392 0 1 HIAF COc1ncnc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1 167384305 CFMRJFPIIUTGPS-HXUWFJFHSA-N 403.482 4.415 0 1 HIAF Cc1ccc(C(=O)N2CCOCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169700059 HJZAYVDPRUMWFB-UHFFFAOYSA-N 415.493 4.031 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC(C)(C)F)cn3)C2)cc1 169709314 WSZSVTXBCJGHPS-HRAATJIYSA-N 415.509 4.063 0 1 HIAF CN(Cc1nc2cccc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928980 NWSOVFZEWBXETO-UHFFFAOYSA-N 403.813 4.056 0 1 HIAF Nc1cc(C(=O)O)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 587249504 NGCLVLZQUURBGL-UHFFFAOYSA-N 411.053 4.035 0 1 HIAF CCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2C 587341799 XTHHOKSAEPDYEJ-DHLKQENFSA-N 417.436 4.325 0 1 HIAF C[C@]1(c2cn(-c3ccccc3)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343771 VHUWNUFXAMSMTO-ISKFKSNPSA-N 415.424 4.386 0 1 HIAF CC(C)(C)OC(=O)N1[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C 587519159 VNVXAFLVOGOJMB-IEBWSBKVSA-N 401.503 4.271 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)C(=O)O 587542979 AZIXFOSSOLNRCU-GCJKJVERSA-N 410.809 4.073 0 1 HIAF CCc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(S)n1 587615861 ZLORREPMCGCZGQ-AVRDEDQJSA-N 408.479 4.219 0 1 HIAF COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622041 VDHQTXILUWJESO-UHFFFAOYSA-N 412.112 4.247 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2C(=O)CC(C)(C)CC2=O)N1 587824508 XFACYLYBLZHADA-GIPWTMENSA-N 410.327 4.302 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587844178 KSASTKRGFQPSQE-DGIBIBHMSA-N 421.335 4.430 0 1 HIAF C[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2N1 587874077 PKYFXPJQQLXVHD-CLAHSXSESA-N 407.327 3.987 0 1 HIAF Cc1c[nH]nc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1 653698636 QMNAPUAQOOQQTB-UHFFFAOYSA-N 415.236 4.078 0 1 HIAF CCOC(=O)CCC[C@@]1(c2ccc(OC(C)=O)cc2)NCCc2ccc(F)c(C)c21 962380486 WVWKNOQWXBPQRN-DEOSSOPVSA-N 413.489 4.182 0 1 HIAF C[C@@]1(c2ccc(S(C)(=O)=O)cc2F)c2ccsc2CCN1Cc1cccnc1 962997714 SNRAMDFDESWMPF-OAQYLSRUSA-N 416.543 4.008 0 1 HIAF CS(=O)(=O)c1ccc(-c2cccc([C@@H]3c4c(F)cccc4C[C@@H]4CCCN43)n2)cc1 963108369 LOPSFAWVEUZVDW-MHECFPHRSA-N 422.525 4.401 0 1 HIAF COc1ccc(CCNc2cc(-c3ccc(C(F)(F)F)cc3)nc3ncnn23)cc1 1772658063 PYUDKPXCRHEKAJ-UHFFFAOYSA-N 413.403 4.473 0 1 HIAF CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 1857611774 CYSGWKOTCGVHJT-UHFFFAOYSA-N 406.813 4.373 0 1 HIAF CNC(=O)c1cc(Oc2ccc(C3=NN[C@@H](c4ccc(F)cc4Cl)C3)cc2)ccn1 1857761767 FPMMIJFJEVWGED-HXUWFJFHSA-N 424.863 4.465 0 1 HIAF COCCN(Cc1cc2cc3c(cc2nc1Cl)OCO3)C(=O)c1ccc(C)cc1 4881177 FLBVHWGUBMYEBN-UHFFFAOYSA-N 412.873 4.214 0 3 HIAF Cn1c(=O)c2cc(NC(=O)Cc3cccnc3)ccc2n1-c1ccc2ccccc2c1 61904760 ROVJDFKHYKDXFX-UHFFFAOYSA-N 408.461 4.059 0 3 HIAF COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 767058 TZDIXBZYXUYXRW-UPVQGACJSA-N 418.468 4.285 0 1 HIAF CCCCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21 3819878 RBKNPTJINPQTRO-UHFFFAOYSA-N 409.596 4.212 0 1 HIAF CC1(C)Oc2ccc(C(=O)c3ccccc3)cc2[C@H](NC(=O)c2ccc(F)cc2)[C@H]1O 13604635 DUZBLSGNHVRCAO-JTHBVZDNSA-N 419.452 4.060 0 1 HIAF O=C(O)[C@@H]1CCCN(CCOCCN2c3ccccc3CCCc3ccccc32)C1 13863095 FCQCCTYVNXSZCZ-JOCHJYFZSA-N 408.542 4.127 0 1 HIAF CC(C)=CCc1c(O)c2c(c3c(=O)c(-c4ccc(O)cc4)coc13)OC(C)(C)[C@H](O)C2 15204416 YSUKHWIKRWPBFZ-LJQANCHMSA-N 422.477 4.454 0 1 HIAF biogenic O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCCCCCCn1ccnc1 26377234 GDARUXYNZFOBMH-UHFFFAOYSA-N 402.926 4.361 0 1 HIAF CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 36331981 ZYDYAOTXGMFSHO-PXNSSMCTSA-N 409.511 4.406 0 1 HIAF COc1ccc(C(=O)[C@H]2C[C@H]2CN2CC=C(c3c[nH]c4ccc(OC)nc34)CC2)cc1 45187459 FSKWYDPPJOVLNC-ICSRJNTNSA-N 417.509 4.188 0 1 HIAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCCC3(C)C)ns2)n1 64528226 VNVLNNHKVAWQGQ-UHFFFAOYSA-N 422.562 4.392 0 1 HIAF O=C1N(Cc2cccc3ccccc23)c2ccccc2[C@]1(O)c1ccc2c(c1)OCO2 71333872 AQFQNIVKKMRDCY-AREMUKBSSA-N 409.441 4.351 0 1 HIAF COc1cc(OC)c(-c2ccnn2C)c(O)c1C(=O)c1cccc(C(F)(F)F)c1 95596014 KKOKZHNEMRAUJB-UHFFFAOYSA-N 406.360 4.060 0 1 HIAF O=C(O)Cc1sc(/C=C2\NC(=O)CS2)nc1-c1ccc(-c2ccccc2)cc1 95603937 AMEDLCPVIJTCOD-WOJGMQOQSA-N 408.504 4.266 0 1 HIAF Cc1ccc2c(C(=O)O)c(O)c(-c3ccc(NC(=O)C(F)(F)F)cc3)nc2c1C 101070232 FUHMPKPGQBWQEW-UHFFFAOYSA-N 404.344 4.423 0 1 HIAF COc1ccccc1-c1[nH]c(C(=O)NC[C@H]2CCCO2)cc2c3ccccc3nc1-2 102670527 SNXUWOKRCVICFV-OAHLLOKOSA-N 401.466 4.252 0 1 HIAF CCOc1ccc2[nH]c(C(=O)NCCCCCC(=O)Nc3ccccc3N)cc2c1 117589066 DPHJEUKXOAQYEM-UHFFFAOYSA-N 408.502 4.078 0 1 HIAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3C[C@](C)(C(F)F)Oc4ccccc43)cccc21 144342812 FNBJUBSOLHLDBT-QVKFZJNVSA-N 416.428 4.015 0 1 HIAF CCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccccc2)c1 169689239 QCPLWGGHUXKTRA-FGZHOGPDSA-N 417.461 4.138 0 1 HIAF O[C@H](c1ccc(Br)cc1)c1nc2cc(Br)c(F)cc2[nH]1 586996766 KBYXOMHENKWKSE-CYBMUJFWSA-N 400.045 4.309 0 1 HIAF Cc1nccc2[nH]c([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc12 587141916 ZEPTWEQHZGQEQX-MRXNPFEDSA-N 410.902 4.125 0 1 HIAF Cc1c(I)cnn1[C@H](C)c1nc2cc3ccccc3cc2[nH]1 587181857 GCSOZMZHIDJSPB-LLVKDONJSA-N 402.239 4.435 0 1 HIAF Nc1cccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587334705 KDZNNDZFBYBRQB-UPVQGACJSA-N 421.424 4.233 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)c(F)cc32)[C@@H]1c1ccc(F)cc1 587340877 ZKYWQHYKGVXSLW-DENIHFKCSA-N 411.335 4.016 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(Cc3ccc(OC(F)(F)F)cc3)c1)O2 587384279 ZIGQSSQWOJSCQJ-LJQANCHMSA-N 417.387 4.427 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCNc3nc(Br)ccc31)CC2=O 587460593 UQSQIWIQWPUHLF-LJQANCHMSA-N 403.276 4.179 0 1 HIAF Cc1ccc2c(c1Br)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587495788 FSIBPMJKLRZZEA-NRFANRHFSA-N 412.283 4.449 0 1 HIAF Cc1cnn(Cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c1 587582116 OHYSIGWLVIWIEB-OFNKIYASSA-N 402.406 4.241 0 1 HIAF COc1ccc2[nH]c(O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587588156 JSJVQFYVMADNCB-DENIHFKCSA-N 403.390 4.291 0 1 HIAF CC(=O)N(c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1)C1CC1 587609436 CANQYPIJQPKTFQ-GHTZIAJQSA-N 422.462 4.067 0 1 HIAF COc1ccc2[nH]c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587778225 LRSNDUDZAMNPDS-OVWNDWIMSA-N 417.278 4.062 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793644 RVOJFWIZWXMMLJ-AYLIAGHASA-N 407.283 4.037 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn2cc(F)ccc2n1 587862313 JOQHHFUTYULNBP-UHFFFAOYSA-N 404.323 4.053 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)CN1CCCCCC1 587869090 AWVVREFCNGCWDN-CQSZACIVSA-N 410.440 4.125 0 1 HIAF O=C(c1csc(Cl)c1)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 653662934 YTXKISVZQBUWHI-UHFFFAOYSA-N 413.934 4.413 0 1 HIAF CC(C)(C)[C@@]1(Cc2ccccn2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642724 QZQHASPUOSQSEM-XLIONFOSSA-N 408.420 4.063 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCc3c2sc2nc(C(=O)OC)cn32)N1 962941448 DXOIDZAMGMZOPK-ZAMGYDSWSA-N 420.538 4.168 0 1 HIAF COc1cccc2[nH]nc([C@H]3NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)c12 962961423 RUGPBIVHPPZBJI-IBGZPJMESA-N 417.431 4.331 0 1 HIAF CCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(OCC)c1 962983670 ZBACSTQWTDVXDZ-HNAYVOBHSA-N 411.832 4.104 0 1 HIAF OCC1=C[C@@]2(NCCc3cc(Cl)ccc32)C(OCc2ccccc2Cl)=CO1 963390654 MOKKKJPABBVLRH-NRFANRHFSA-N 404.293 4.299 0 1 HIAF O=C(NC1CCCCC1)c1cc(-c2ccccc2)nn(Cc2ccc(F)cc2)c1=O 1772637247 IELGNPZONZEVBE-UHFFFAOYSA-N 405.473 4.160 0 1 HIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N(CC3CC3)CC3CC3)c2cn1)c1ccccc1 1772641648 CMGHMRHVZZZTAK-OAHLLOKOSA-N 404.518 4.467 0 1 HIAF COc1ccc(N(CC2CCCC2)C(=O)NCCCn2cncc2C)cc1OC 1857547679 HTPIAIPXCHEOJS-UHFFFAOYSA-N 400.523 4.005 0 1 HIAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]c2ncccc12 1857579496 GWLMPCAZVNPHSY-CMDGGOBGSA-N 407.477 4.478 0 1 HIAF COc1ccc(/C=C/C(=O)O[C@@H]2Cc3c(ccc4ccc(=O)oc34)OC2(C)C)cc1 1857752112 UKVARNNDYSTSBZ-VLUHHTHFSA-N 406.434 4.140 0 1 HIAF COc1ccc2nc(NC(=O)Cc3c(C(=O)O)[nH]c4ccc(Cl)cc34)sc2c1 20155610 CINKAENDAQQYKQ-UHFFFAOYSA-N 415.858 4.319 0 1 HIAF COc1ccccc1C(OC[C@@H](O)CN1[C@@H](C)CCC[C@H]1C)c1ccccc1OC 28223412 LFECEAWQGOGUJX-ZCNNSNEGSA-N 413.558 4.434 0 1 HIAF O=C(CCc1cnc(-c2ccc(O)cc2Cl)s1)Nc1ccccc1C(=O)O 28863442 OLXPXHFQDBIPDV-UHFFFAOYSA-N 402.859 4.439 0 1 HIAF CC(C)c1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCCC1 29038124 IXSAAPAZRZURIH-QUCCMNQESA-N 418.603 4.247 0 1 HIAF Cc1c(C(=O)c2ccc(N)c3ccccc23)c2ccccc2n1CCN1CCOCC1 31905094 UGHXHVKGTGXWQW-UHFFFAOYSA-N 413.521 4.248 0 1 HIAF CCCCO[C@H]1OC[C@H](Cc2ccc(O)c(OC)c2)[C@H]1Cc1ccc(O)c(OC)c1 45287916 OMCHYMLRSCWZQB-GLDPYIMESA-N 416.514 4.306 0 1 HIAF C[C@H](NC(=O)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1)C(=O)O 49088986 NDVFGDHSVYSORQ-INIZCTEOSA-N 401.466 4.025 0 1 HIAF CCS(=O)(=O)CCC12CCC(c3nnc(-c4ccccc4F)n3C)(CC1)CC2 71388881 LOLPZHHJXGSPLZ-UHFFFAOYSA-N 405.539 4.038 0 1 HIAF O=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1)N1CC=CC1 72176313 SZKMGEACPMFNPI-WZONZLPQSA-N 424.504 4.038 0 1 HIAF COC[C@H](C)Oc1cc(/C=C/c2ccccc2OC)cc(C(=O)Nc2ccn(C)n2)c1 95593688 REUAMPRHSZJGRY-FVNWOWOISA-N 421.497 4.265 0 1 HIAF CCOC(=O)c1c[nH]c2cc(OCc3ccc(OC(F)(F)F)cc3)ccc2c1=O 169323690 IMBDAZZHTPTCIL-UHFFFAOYSA-N 407.344 4.182 0 1 HIAF C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCN(Cc4ccccc4)CC3)[C@@H]2CC1 169366090 OQBCSYQAFVLXSV-NWASWBKISA-N 408.586 4.429 0 1 HIAF O=C(NC[C@@H](c1ccc(C2CC2)nc1)N1CCOCC1)c1cccc(Cl)c1Cl 207589216 QGUXMIQTJZBPNL-IBGZPJMESA-N 420.340 4.069 0 1 HIAF COc1cccc([C@@H](c2ccc(O)c(OC)c2)[C@H](CO)c2ccc(O)c(OC)c2)c1 238783421 JCCPWOFLCPSRGA-DVECYGJZSA-N 410.466 4.032 0 1 HIAF O=C(OCCF)[C@H]1[C@H](c2ccc(Br)cc2)C[C@H]2CC[C@H]1N2CCCF 253837868 XXLBWUCJODELRH-XDNAFOTISA-N 416.306 4.258 0 1 HIAF O=C(c1cccc2c(-c3ccccc3)nnn12)c1cccc2c(-c3ccccc3)nnn12 299840046 VDMUDFXPSQIWEP-UHFFFAOYSA-N 416.444 4.337 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@@H](C(=O)O)[C@@H]2C3)c1 587363642 RUULZRFZICCIKO-KFOHMRLHSA-N 414.461 4.044 0 1 HIAF COc1ccc2c(c1)O[C@@H](c1ccccc1)C(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 587410873 GVIJXHKUNRPXKN-DHLKQENFSA-N 415.445 4.149 0 1 HIAF O=C1C[C@H](c2sc(N3CCC(O)CC3)nc2Cl)Oc2c1ccc1c2CCCC1 587534018 AHAIYRIYPZGKEB-QGZVFWFLSA-N 418.946 4.343 0 1 HIAF C[C@@]1(c2ncccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539052 HGMHNASKPAAIPT-OXJNMPFZSA-N 412.239 4.427 0 1 HIAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)nn1C 587554137 HKAMEJPOTPNHCE-QAPCUYQASA-N 404.344 4.156 0 1 HIAF CCOC(=O)[C@H](c1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596062 NEIWXDUMSWPEKC-BKSPAHHJSA-N 418.445 4.459 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2=O)cc1 587598185 XAFUNGJHUKRVBP-XUZZJYLKSA-N 401.418 4.222 0 1 HIAF COC1CC(C)(C)N(CCOC(=O)Cc2c(C)[nH]c3cc(F)ccc23)C(C)(C)C1 587636813 JVAFOHIBXNXPQG-UHFFFAOYSA-N 404.526 4.369 0 1 HIAF CCOC(=O)C(Cl)(Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587682613 MTEBKNZJZNVSBC-XLKFXECMSA-N 413.114 4.075 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCCc2ccccc2)N1 587754022 IUUJBFYGPJHYFI-QKKBWIMNSA-N 419.338 4.087 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCC(=O)O)cc2)N1 587796420 STYMBWRWHPUVPL-MPBGBICISA-N 422.294 4.455 0 1 HIAF Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587801690 HUENJETZECNSSU-AYLIAGHASA-N 407.283 4.037 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3sc(N)nc23)N1 587859354 WBWFMZSLOFXXEA-YYSFKGJASA-N 406.324 4.578 0 1 HIAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]21CCc2cc3c(cc21)OCC3 962963598 ZPDXUPGNOLSBLW-QHCPKHFHSA-N 415.455 4.482 0 1 HIAF O=C1c2ccncc2[C@@]2(c3c(F)cccc3C[C@@H]3CCCN32)c2c(F)ccc(F)c21 963115207 VCJVTCKWOXZMSR-LFPIHBKWSA-N 406.407 4.356 0 1 HIAF COC(=O)c1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 1857544404 MRDUHXXQULFJNL-UHFFFAOYSA-N 413.826 4.316 0 1 HIAF COC(=O)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 1857552216 PEBCGGLCOVESHK-MRXNPFEDSA-N 404.850 4.283 0 1 HIAF O=S1(=O)C[C@H](c2ccc(F)cc2)c2c(C3CC3)nn(-c3ccccc3Cl)c2O1 1857552219 PFXODHSEFAYGFU-OAHLLOKOSA-N 418.877 4.396 0 1 HIAF Cc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cn(C)nc3C)cc2)n[nH]1 1857584691 ICJANEWBKSXXPZ-RTBURBONSA-N 405.502 4.055 0 1 HIAF Cc1cccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(I)cc2)c1 1911578143 UVKWIZFFYAQTAM-FUHWJXTLSA-N 406.263 4.174 0 1 HIAF O=c1c2oc3ccccc3c2n(Cc2ccccc2Cl)c(=O)n1Cc1ccco1 8589265 FNEJJXQHRQPTGV-UHFFFAOYSA-N 406.825 4.252 0 1 HIAF CC(C)n1cnc2c(Nc3ccc(Cl)c(Cl)c3)nc(N3CCC[C@@H]3CO)nc21 13834633 ZPTAVVHUPQTZNT-CYBMUJFWSA-N 421.332 4.419 0 1 HIAF COc1c2c(c3ccoc3c1OC)O[C@H](c1ccc3c(c1)OCO3)[C@H](OC)[C@H]2OC 14859169 GOCVYXVPIUFXNU-PBEJRMEISA-N 414.410 4.015 0 1 HIAF biogenic COc1cccc([C@@H]2c3cc4c(cc3O[C@](C)(N3CCCC3)[C@@H]2C)OCO4)c1OC 17175686 QUAKHYXKSRPYCZ-CHVDNLQBSA-N 411.498 4.405 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C(C)=O)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26382468 DIISWROLLPLGMW-BKGOHCFPSA-N 416.606 4.251 0 1 HIAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2c(CN)cccc21 28952137 CDQSVZNPXWNDPR-UHFFFAOYSA-N 405.546 4.287 0 1 HIAF CCOC(=O)c1[nH]c(Br)c(-c2cccc(OC)c2)c1Br 29124349 FTBYOCVXZQGZNH-UHFFFAOYSA-N 403.070 4.392 0 1 HIAF COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc4[nH]cnc4c3)c1NC2 40567226 ZWKSBUXOACHISC-UHFFFAOYSA-N 420.498 4.499 0 1 HIAF FC(F)(F)c1ccc2[nH]c(N3CCN(c4cccc(C(F)(F)F)n4)CC3)nc2c1 40763227 MTIRIODKHRTQDY-UHFFFAOYSA-N 415.341 4.322 0 1 HIAF Cc1ccn2nc(SCc3nnc(SCc4ccccc4Cl)o3)nc2n1 40918068 NXOGQDKUXCUBOV-UHFFFAOYSA-N 404.908 4.054 0 1 HIAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C/c2cnc3ccccc3c2)C(=O)O1 45498280 NZYNTDGHNYYHKJ-KBXFHMSTSA-N 411.498 4.056 0 1 HIAF O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 95893536 FBMNEOLEUCRLPT-SMIHKQSGSA-N 417.484 4.207 0 1 HIAF Cc1ccc(CNCC2(F)C[C@H]3CC[C@H](C2)N3C(=O)c2ccc(F)c(Cl)c2)nc1 102415709 ZDFVLXOCUFWUML-QZTJIDSGSA-N 419.903 4.448 0 1 HIAF CN(C)Cc1ccc([C@H]2Nc3cc(F)cc4c(=O)[nH]nc(c34)[C@@H]2c2ccccc2)cc1 118621368 AYGBRSIXAPSSRF-FYYLOGMGSA-N 414.484 4.423 0 1 HIAF COc1cc(CN2C(=O)[C@H](C)C[C@H]2c2c(OC)cccc2OC)ccc1OC(F)F 167382561 HNDLNRVVUUYXHR-HIFRSBDPSA-N 421.440 4.424 0 1 HIAF CC[C@@H](C)C(=O)O[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 169303674 PCZOHLXUXFIOCF-PQRSLQJCSA-N 404.547 4.196 0 1 HIAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cc1-c1ccc(F)cc1 261189603 YQBZTDQMFKNPRI-FQEVSTJZSA-N 408.429 4.151 0 1 HIAF O=C(c1ccccc1)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 377836359 GRTWPOZZXKFRKJ-UHFFFAOYSA-N 404.151 4.350 0 1 HIAF Cc1cc(Cl)cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586946458 YLJGQYSTIZPYLR-UHFFFAOYSA-N 407.904 4.325 0 1 HIAF Cc1ccc2c(ccc3nc(-c4sccc4S(=O)(=O)Nc4cccnc4)[nH]c32)n1 586952806 HVWMWTLNKKTWKR-UHFFFAOYSA-N 421.507 4.344 0 1 HIAF CCOC(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 587020221 INDJKYBBBAISEF-UHFFFAOYSA-N 402.476 4.134 0 1 HIAF CCCc1nc(-c2nc3cc(CC(=O)OCC)ccc3[nH]2)nn1-c1ccccc1F 587156445 ODSHUPGZSZWJRT-UHFFFAOYSA-N 407.449 4.008 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C3(NC(C)=O)CCC(C)CC3)nc2c1 587234611 RQMKLWFNSFUNPH-UHFFFAOYSA-N 422.323 4.044 0 1 HIAF CC(C)COc1cc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2cc1Br 587248958 CNKDBMUXICHBGG-UHFFFAOYSA-N 418.291 4.237 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCN3Cc4ccccc4N[C@@H]32)[C@H]1c1ccc(F)cc1 587348415 RQYBVONHAYRVHW-ZKMPZPQNSA-N 416.452 4.287 0 1 HIAF Cc1ccc(-n2c(N(C)C)nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2Cl)cc1 587380270 SEZDZTCJOQXMQF-SFHVURJKSA-N 410.905 4.497 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1ccccc1Br)CC2=O 587455950 HXVBWXZZRVQCSE-HXUWFJFHSA-N 419.271 4.141 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCN(C(=O)c1ccccc1)C2 587584356 XCJDUIJMLLEERA-OFVILXPXSA-N 415.445 4.029 0 1 HIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC 587589766 AERSXHXFCAQJBB-WIYYLYMNSA-N 408.406 4.121 0 1 HIAF Cc1cc(=O)oc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)ccc12 587605616 AGHUIBARHRDQPH-RDPSFJRHSA-N 416.385 4.216 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ncccn2)n1 587615974 YFTUZXPSBRAMBN-VQIMIIECSA-N 403.419 4.009 0 1 HIAF O=C(c1cc(-c2ccco2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658233 MKKZLRHTQHIJOS-UHFFFAOYSA-N 418.359 4.013 0 1 HIAF COc1cccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587740809 FMZAPDAAIKSCFG-ODXCJYRJSA-N 421.310 4.375 0 1 HIAF COc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587758007 WNJUMHDHJRMYSS-YUNKPMOVSA-N 416.294 4.406 0 1 HIAF COc1ccc2c(c1OC)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587810608 TWFWPHOPIHTTRG-PRWKNARSSA-N 406.295 4.329 0 1 HIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587932180 VHAVTHNDTIEOLY-UGSOOPFHSA-N 410.417 4.310 0 1 HIAF O=C(c1ccccc1)c1nc2nc(CCCCCO)[nH]c(O)c-2c1-c1ccccc1 653813179 OEPBVVHPAUFBKR-UHFFFAOYSA-N 401.466 4.218 0 1 HIAF COc1c(C)cc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1C 962713501 UULNZJKYKLJNRC-YLJYHZDGSA-N 411.395 4.332 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)CC(=O)Nc1nc2ccccc2s1 963046828 LERRGIRGIZZODH-HSZRJFAPSA-N 418.522 4.243 0 1 HIAF O=C(COc1ccc2c(=O)ccoc2c1)Nc1cccc(NC(=O)c2ccccc2)c1 1857617849 CJTWJAYLKYVKRD-UHFFFAOYSA-N 414.417 4.063 0 1 HIAF COC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O 4660609 GKEXYZGYPMGBKK-PMERELPUSA-N 419.502 4.417 0 3 HIAF aggregator O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NCCc1ccccc1F 12507466 SVQDRJZRKANZKB-UHFFFAOYSA-N 421.394 4.110 0 3 HIAF O=C([C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)N1CCOCC1 4051329 AFDDYPGUEZLJHR-ILBGXUMGSA-N 412.489 4.304 0 1 HIAF CC(C)CC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 14970702 QGKYEEPHMFVUEN-UHFFFAOYSA-N 405.502 4.009 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@]2(C(=O)O)CCCCO2)cn1 34717772 HEIMHRZFDOAASV-XMMPIXPASA-N 422.481 4.233 0 1 HIAF Cc1ccc(C(=O)NC2CC2)cc1Oc1nncc2c1cnn2-c1ccc(F)cc1F 49110130 BNZZRMZLESOOCT-UHFFFAOYSA-N 421.407 4.087 0 1 HIAF O=S(=O)(Nc1cc(-c2ccc3ncccc3n2)cnc1Cl)c1ccc(F)cc1 73169822 WYYOJVMTMUWNGA-UHFFFAOYSA-N 414.849 4.285 0 1 HIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccnc(Oc4cncnc4)c3)C2)cc1 96172906 CHVZIEKBZCAVFY-MRXNPFEDSA-N 404.470 4.014 0 1 HIAF COc1c(OCC[18F])cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 101454824 QCFZUTYIUYQTPW-GRXQWEFTSA-N 404.488 4.171 0 1 HIAF COc1ccc(-c2cc(CNc3nc(C)cc(Nc4cc(C5CC5)[nH]n4)n3)on2)cc1 203007580 UKBJGAZWGFHUOK-UHFFFAOYSA-N 417.473 4.405 0 1 HIAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)Nc3ccccc3N)CC[C@H]12 261077297 BCKQSIZBCMVWRU-HIJQPWIUSA-N 407.558 4.121 0 1 HIAF CN1CCN(C(=O)C[C@H](Cc2ccccc2)Nc2ccnc3cc(Cl)ccc23)CC1 299839101 PYTTXFGRQIBRSL-FQEVSTJZSA-N 422.960 4.076 0 1 HIAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Br)c(C)c3[nH]2)cc1 586940846 HWLAGYMYOAJMNB-KTKRTIGZSA-N 420.332 4.033 0 1 HIAF O=C(NCc1nc2cc(Br)c(F)cc2[nH]1)c1cccc(C(F)(F)F)c1 587110774 BPRSSBQFUNNPMU-UHFFFAOYSA-N 416.172 4.413 0 1 HIAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(Cl)ncnc3[nH]2)cc1 587164840 CMJAVLIYUPWWAQ-UHFFFAOYSA-N 419.851 4.483 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(C(C)=O)ccc2[nH]1 587181678 ZLHWDKGWMHRDPM-VIFPVBQESA-N 408.243 4.205 0 1 HIAF Cc1ccc2c(ccc3nc([C@@H](C)n4ncc(I)c4C)[nH]c32)n1 587182893 TZHANKJJUFDEOD-LLVKDONJSA-N 417.254 4.138 0 1 HIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(F)cnc(Br)c2[nH]1)C(C)(C)C 587202565 BDKZVDMQTDEDQV-SNVBAGLBSA-N 415.307 4.341 0 1 HIAF CCOC(=O)C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338939 PARDHBIDGLCXNQ-ISKFKSNPSA-N 421.424 4.134 0 1 HIAF Cc1ccc(C)c2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351947 VRWKTFIFIWNMCO-YKSBVNFPSA-N 403.409 4.355 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)ccc(Br)c12 587507675 NUUUPWRXSINVFY-HXUWFJFHSA-N 416.246 4.280 0 1 HIAF O=C(O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2)n1 587515099 JIADQIIOOZPGQF-OAQYLSRUSA-N 402.450 4.220 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(Cc3cccnc3)CC2)N1 587771032 UWZDADNDAOGKKD-SPLOXXLWSA-N 418.354 4.471 0 1 HIAF O=C(c1sc(N2CCOCC2)nc1-c1ccc(Cl)cc1)c1cnc2ccccn12 1857754380 UHRZOGNKLDKBRU-UHFFFAOYSA-N 424.913 4.179 0 1 HIAF O=C(Nc1ccc2c(c1)OCCO2)[C@@H](C1CC1)N1CCC(Cc2ccccc2)CC1 72135719 KPLZRTGCHKRZSR-XMMPIXPASA-N 406.526 4.130 0 3 HIAF CCOC(=O)CCc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2 837630 UGZLTFCKIQRBBC-VXKWHMMOSA-N 401.934 4.016 0 1 HIAF investigational COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(c3ccccc3)CC2)C(=O)O)cc1 13445277 AIYQOIJLQZJTRP-QFIPXVFZSA-N 415.489 4.206 0 1 HIAF CCc1c(C)cnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn12 13861617 QJHCEYOQJFWOKZ-UHFFFAOYSA-N 409.486 4.477 0 1 HIAF C[C@@H](NC(=O)N1C(=O)C[C@@]1(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1 26376273 FOSUHQAUDWLEAC-OSPHWJPCSA-N 408.498 4.013 0 1 HIAF CS(=O)(=O)c1ccc(-c2ccc(F)c(F)c2-c2ccc3c(c2)OCCO3)cc1 28381574 JMKUAKPBVQZTKU-UHFFFAOYSA-N 402.418 4.474 0 1 HIAF Clc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1 35425731 XNDPPWKYXAZGRJ-SFHVURJKSA-N 406.877 4.308 0 1 HIAF biogenic C=CCN(C)C(=O)[C@H](C)[C@H]1CCc2c(C)cc(OCc3cccnc3)c(C)c2[C@H]1O 36355978 HOPOLERVNDRNAI-JKHABCDFSA-N 408.542 4.154 0 1 HIAF biogenic CCOc1c2c(c(-c3cc(OC)c(O)c(OC)c3)c3cc4c(cc13)OCO4)C(=O)OC2 40422947 DFVWNAQABWGLFQ-UHFFFAOYSA-N 424.405 4.027 0 1 HIAF CSc1cccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN(C)c2ccccc2)c1 43527544 ZNVZYRGDFZIKFP-XQBPLPMBSA-N 424.614 4.377 0 1 HIAF biogenic O=C(NOCc1cccc(Cl)c1)c1cc(Br)c(Br)[nH]1 71341570 SEAXKDBJQDMAHP-UHFFFAOYSA-N 408.477 4.055 0 1 HIAF Cc1cccc2cc([C@H](C)NC(=O)c3cnn4ccccc34)n(-c3ccccc3)c(=O)c12 88345869 OISRXPCXLQNXJC-SFHVURJKSA-N 422.488 4.438 0 1 HIAF C[C@H]1Oc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn(c23)[C@H]1c1ccccc1 95555438 FXXPMGSAZPNOGM-OPAMFIHVSA-N 402.494 4.434 0 1 HIAF COc1ccc(C2=NN(C(=O)[C@H]3COc4ccccc4O3)[C@H](c3ccccc3)C2)cc1 95563591 JJNGTQBXROZDIP-XUZZJYLKSA-N 414.461 4.213 0 1 HIAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1cccc(Cl)c1 102644319 CGGWAIBHRMCQBK-GPJWBVQASA-N 405.878 4.310 0 1 HIAF [C-]#[N+]c1ccnc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)c1 169694380 HDXOHJOFGROCNN-SJLPKXTDSA-N 413.485 4.415 0 1 HIAF CN(C)c1ccc(-c2ccc(CNS(=O)(=O)c3cc4ccccc4[nH]3)cc2)cc1 203659258 SSRVDRFFOMOPBV-UHFFFAOYSA-N 405.523 4.379 0 1 HIAF O=c1c2cn[nH]c2c2cc(Br)c(-c3ccccn3)cc2n1CC(F)(F)F 220090948 KIWGYOYLFZZMFQ-UHFFFAOYSA-N 423.192 4.265 0 1 HIAF Cc1cnc([C@@H](CC(=O)O)c2cc(Cl)cc(-c3cccc(CC(N)=O)c3)c2)s1 224258139 SRVXSISGYBMIHR-SFHVURJKSA-N 414.914 4.406 0 1 HIAF in-vitro C/C(=C\COc1cc(O)c2ccc(=O)oc2c1)CC/C=C(\C)CC[C@@H](O)C(C)(C)O 238755004 YYIUCUSMWAUULF-AOYWWXCKSA-N 416.514 4.462 0 1 HIAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 299881595 OGDOVIGXOQRDQR-TUNNFDKTSA-N 414.933 4.442 0 1 HIAF COc1cncc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587030776 ICONSJALFARQPM-JLATVTFTSA-N 401.517 4.093 0 1 HIAF COc1c(F)ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1N 587134403 LBSFNPLSTIPQEI-UHFFFAOYSA-N 415.060 4.485 0 1 HIAF O=S(=O)(Nc1ccsc1-c1nc2ccnc(Cl)c2[nH]1)c1ccc(F)cc1 587171105 YQJJSYPRBQMQEL-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)cc(Br)c2[nH]1 587225320 POWFQCVJRZEPOQ-JTQLQIEISA-N 408.683 4.063 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(Cc3cccc(NC(C)=O)c3)nc2c1 587242900 XTVYDJYCSCPKEV-UHFFFAOYSA-N 416.275 4.051 0 1 HIAF CN1CCN(c2ccc3[nH]c(-c4ccc(C(=O)Nc5ccccc5)cc4)nc3c2)CC1 587246724 FLTRNGHECGLXPE-UHFFFAOYSA-N 411.509 4.234 0 1 HIAF Cc1nn(C)c(C)c1[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331827 QUKNLOSVBNPHLQ-SIKLNZKXSA-N 416.399 4.401 0 1 HIAF CCn1cc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587342229 MFYOGOQQRQUJFL-WAMGAZATSA-N 421.472 4.077 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1c(NC(=O)C(C)(C)C)ccnc1Cl)[C@@H](C2)C3=O 587419635 HLUARYRTFNXYET-KPZWWZAWSA-N 400.862 4.217 0 1 HIAF CC[C@@]1(c2ccccc2OCC(=O)N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587509073 XHHKUMXPSXYPCS-VWLOTQADSA-N 407.510 4.303 0 1 HIAF Cn1nnnc1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587510241 XXFOFOBPABOKFA-FQEVSTJZSA-N 424.888 4.028 0 1 HIAF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cnccc21 587587592 OZCLKOSOOPVTIH-NVQXNPDNSA-N 421.408 4.237 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncnc(Cl)c3n2C)N1 587708517 YLEYUJOCVWHULG-VXJOIVPMSA-N 409.690 4.147 0 1 HIAF Cc1nn(-c2ccccc2)c(N)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753255 ATSIIMPOQCZNEK-NSPYISDASA-N 415.310 4.288 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)nc2/C=C/N(C)C)N1 587756133 QBDSHCFOIDYFLN-LAIFVVEFSA-N 420.326 4.019 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccccn3)CC2)N1 587766659 HCBOVBHGOAIABQ-AWEZNQCLSA-N 404.327 4.009 0 1 HIAF CCOC(=O)c1csc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587856073 XUEUBNIKMPPVQZ-HUTHGQBESA-N 413.312 4.019 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cccs2)[nH]n1 587869983 WWBCIMQOWTXTPC-UHFFFAOYSA-N 419.388 4.113 0 1 HIAF C[C@@]1(c2ccc(F)cc2S(C)(=O)=O)c2ccsc2CCN1Cc1ccco1 962712623 VLJCMEJGMLURGZ-FQEVSTJZSA-N 405.516 4.206 0 1 HIAF CC[C@@]1(c2cc(F)c(F)c(F)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962967464 NGSJGFFTSLZYTK-UGSOOPFHSA-N 405.750 4.288 0 1 HIAF COC(=O)c1cc([C@]2(c3ccc(F)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c[nH]1 963115476 VOTWWFNTBFIADI-GBXCKJPGSA-N 408.448 4.392 0 1 HIAF C[C@@H](CC(=O)O)C[C@@]1(c2cccc3ccccc23)NCCc2c(C(=O)O)cccc21 963129017 DIAIHLMNFHMUOK-LMKMVOKYSA-N 403.478 4.428 0 1 HIAF COc1cccc2c1OCC(C(=O)N[C@H](c1ncc(-c3ccccc3)[nH]1)C(C)C)=C2 1772623013 PKSLUDFXPDOGKG-NRFANRHFSA-N 403.482 4.375 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2c(F)cccc2F)C(=O)OC)cc1 1772647836 WBTMHPKTYNZLOG-IVZQSRNASA-N 419.468 4.353 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1ccc(SC(C)C)c(=O)cc1[C@@H](N)CC2 1857769398 AVMSEHYFILAQSS-INIZCTEOSA-N 401.528 4.186 0 1 HIAF FC(F)(F)c1ccc(Cn2cc(CSc3nnc(-c4cccnc4)o3)nn2)cc1 1911570859 YMHYMXDDHZXPEK-UHFFFAOYSA-N 418.404 4.083 0 1 HIAF O=C(Nc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 25648909 SJBSFUZVXIXXPQ-UHFFFAOYSA-N 405.834 4.499 0 1 HIAF CCO/C(O)=C1\C(Cn2ccnc2)=NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl 27724522 WMMUPVZJCFTABS-BWVDKLOVSA-N 415.877 4.028 0 1 HIAF O=C(NC1CCCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1 28645509 ZJYOMQSNBGAQNB-UHFFFAOYSA-N 414.509 4.092 0 1 HIAF Cc1cc([C@H]2[C@@H](c3ccc(I)cc3)C[C@H]3CC[C@@H]2N3C)on1 36270949 BWXFANYCYSQZCJ-CBZIJGRNSA-N 408.283 4.322 0 1 HIAF C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)nc2)CCN1C(=O)c1ccc2cc[nH]c2c1 49033114 WFMTXSXQVGYGHC-SFHVURJKSA-N 424.504 4.217 0 1 HIAF Oc1ccc(CN(Cc2ccc(O)c3ncccc23)C[C@H]2CCCO2)c2cccnc12 49048476 ZMQNKWCTGZAYCR-LJQANCHMSA-N 415.493 4.375 0 1 HIAF Cn1c(-c2ccc(C(=O)NC3CC3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71316040 ZXLFWPREOVAREF-UHFFFAOYSA-N 406.917 4.498 0 1 HIAF O=c1c(Cc2ccccc2)c(-c2cccc(O)c2)[nH]c2ccc(N3CCOCC3)cc12 72113389 SHPISBGVEUWOCM-UHFFFAOYSA-N 412.489 4.328 0 1 HIAF Cc1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2C[C@H]2CCCO2)o1 82180827 TUOAYWAUOYLSAS-QGZVFWFLSA-N 421.476 4.367 0 1 HIAF COc1ccc([C@@H]2C[C@@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@H]3CCCCN23)cc1O 85995876 SYMZKAVNWGDBHC-AUJJWPEXSA-N 423.509 4.421 0 1 HIAF O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO 95869454 WUFOPPOKIVHBCP-OYDLWJJNSA-N 402.469 4.483 0 1 HIAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](Oc2ccc(C(=O)O)cc2)CC1 101107773 KNBWKJBQDAQARU-KNFACUGJSA-N 412.530 4.343 0 1 HIAF Nc1c2c(nc3cc(Cl)ccc13)C[C@H]1C=C(CCCCn3cc(CO)nn3)C[C@H]2C1 145970567 MHMXFYDLGYPRNA-HOTGVXAUSA-N 423.948 4.401 0 1 HIAF Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1C 195312061 AMZDKPJJASZWNB-SNSMLOMOSA-N 412.489 4.113 0 1 HIAF CCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 253666644 PCVVDSNZIIIFBE-RHDGDCLCSA-N 407.505 4.033 0 1 HIAF Cc1c2c(n(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c1C)CC(C)(C)CC2=O 299810817 LZHOBXYMJZHNPD-SAABIXHNSA-N 423.557 4.064 0 1 HIAF COc1ccccc1CNC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987195 BLTSNYKEFAFEMD-UHFFFAOYSA-N 424.456 4.019 0 1 HIAF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(N)ncc4[nH]3)cs2)cc1 587014445 QHLAMRSPYJSYJN-UHFFFAOYSA-N 422.514 4.601 0 1 HIAF Nc1ccc(-c2ccc3nc([C@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3c2)cc1N 587043030 XGSHIJAEBSMXJU-YADHBBJMSA-N 401.539 4.341 0 1 HIAF O=C(CCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccc(Cl)cn1 587082069 JNEPBYACLRBBTL-UHFFFAOYSA-N 422.666 4.278 0 1 HIAF Nc1ccc(-c2ccc3nc(C(F)(Br)Br)[nH]c3c2)cc1N 587086542 CSGDUFWFWJCZOO-UHFFFAOYSA-N 414.076 4.264 0 1 HIAF CN(C)CCCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571796 MEEJIEDUFPPDPV-WIOPSUGQSA-N 419.477 4.426 0 1 HIAF COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587597354 YVCPTJOWPHAFDA-NZQKXSOJSA-N 408.406 4.121 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ncccn2)n1 587615973 YFTUZXPSBRAMBN-QFBILLFUSA-N 403.419 4.009 0 1 HIAF COc1ccccc1OCc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651642 BXFBEHYDBOIQEY-UHFFFAOYSA-N 420.852 4.326 0 1 HIAF COC(=O)CC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587732426 NDESBXBYFAFCOF-MPBGBICISA-N 424.285 4.458 0 1 HIAF CCOC(=O)[C@H](C)n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587757401 VKSYXMHKVAJAOW-FTLABTOESA-N 409.299 4.137 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CN(C(=O)OC(C)(C)C)C2)N1 587759226 FGNKBSLWEKNGOO-NHYWBVRUSA-N 413.331 4.421 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOC3=O)cc2)N1 587769884 ZQSKANPUBOLBNZ-MPBGBICISA-N 419.294 4.343 0 1 HIAF CCOc1ccc(CC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867616 LDUJSGUAUBPOFY-UHFFFAOYSA-N 405.376 4.254 0 1 HIAF CCC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587868341 ZVUZLHSDFKFBOV-UHFFFAOYSA-N 418.375 4.010 0 1 HIAF CN1CC[C@@H](N(C)CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 653682131 GNUZGIPDSZQXNC-HXUWFJFHSA-N 421.614 4.211 0 1 HIAF FC(F)(F)[C@@]1(Cc2cnccn2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962629843 CNWHLSPOBBLYJU-FYYLOGMGSA-N 424.470 4.224 0 1 HIAF CCCCCC[C@]1(C(=O)O)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962924751 GYRSTQWOEAUZLU-REWPJTCUSA-N 413.470 4.034 0 1 HIAF CN1C(=O)C[C@H]2CN[C@@](c3ccc(F)cc3)(c3cc(F)cc(F)c3)c3cccc1c32 963026734 KBYGIMQVHCPDCR-BSEYFRJRSA-N 408.423 4.449 0 1 HIAF O=C1[C@H](c2ccc(O)cc2)Oc2ccccc2[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963113509 RHXPBTOHAXYVTE-YZXAJQSBSA-N 415.464 4.498 0 1 HIAF Cc1c(O)ccc2c1[C@@](c1ccc(C(C)C)cc1)(c1cccnc1)N[C@H](C(=O)O)C2 963474980 YAMYEWOJYRZJKO-SQJMNOBHSA-N 402.494 4.110 0 1 HIAF CC(=C[C@H](C)C[C@H](CO)C[C@H](C)C[C@H](C)[C@H](C)O)C=C(C[C@H](C)C(=O)O)C(=O)O 2356872081 YOSAXDOXINGSJA-PYNNRZRQSA-N 412.567 4.122 0 1 HIAF C[C@@]12C(=O)N(C3CC3)CC(=O)N1C[C@H](c1ccccc1Cl)c1c2[nH]c2ccccc12 2122580 FFHRMBQQWLKXFD-MZNJEOGPSA-N 419.912 4.015 0 1 HIAF biogenic O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12)N1CCOCC1 4077457 JMJKTUVUYMFBCR-FYYLOGMGSA-N 420.896 4.444 0 1 HIAF C[C@@]12CC[C@H]3c4ccc(OP(=O)(N5CC5)N5CC5)cc4CC[C@@H]3[C@@H]1CCC2=O 4758120 QFASSRYAKVZHGY-BPBCIEFSSA-N 400.459 4.230 0 1 HIAF COc1ccccc1-c1ccc(C[C@H](NC(=O)C(C)(C)c2ccccc2)C(=O)O)cc1 13445274 XVNOLKYXVRVJHK-QFIPXVFZSA-N 417.505 4.452 0 1 HIAF COc1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccs2)ccc1=O 25434763 MXJHXULCOPDLHP-CVEARBPZSA-N 421.522 4.237 0 1 HIAF biogenic O=C(NCc1ccc(OCC2CCCCC2)cc1)c1ccc(OP(=O)(O)O)cc1 26173519 VKIWORIFFBZFHJ-UHFFFAOYSA-N 419.414 4.047 0 1 HIAF CCC[C@H](OC)N1CCn2c(=O)n(-c3ccc(C(F)(F)F)cc3)c3nc(C)cc1c32 28472368 QFKKUPZUHVQGOS-KRWDZBQOSA-N 420.435 4.107 0 1 HIAF CCNC(=O)Nc1ccc(-c2cncc(N[C@@H](COC)c3ccccc3)n2)cc1OC 38309152 LYIGXLKNPPBABU-FQEVSTJZSA-N 421.501 4.093 0 1 HIAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1Cl)[C@H](CO)C(C)(C)O2 45188098 MJIRVNPSHKSGSP-KXBFYZLASA-N 422.308 4.447 0 1 HIAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)[C@H]1CC[C@@H](C2)N1 68249143 COJKEZKAKAGCDA-PGRDOPGGSA-N 411.505 4.257 0 1 HIAF COCCn1c(C2CC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 82189459 RWTXGTSWFDOTRN-UHFFFAOYSA-N 406.317 4.312 0 1 HIAF CCCC1=Nc2ncnn2[C@@H](c2cc(Br)ccc2OC)/C1=C(/O)OCC 103539562 YIZCZJMKBZXRBR-SCDSTIRESA-N 421.295 4.331 0 1 HIAF CC(C)(C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167767900 AYOPSNDMQVUOPS-UHFFFAOYSA-N 404.514 4.291 0 1 HIAF CC(=O)c1ccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCCO5)cc1 169340906 SPIYNMDXLYMTLB-UHFFFAOYSA-N 419.462 4.258 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OCC4CC4)cc3C)C2)cc1 169709231 AMECFMCAQKMLKN-HTAPYJJXSA-N 409.530 4.034 0 1 HIAF O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1Cn1cc(O)n(C2CCCCC2)c1=O 169717597 FEIVYLJBUPTGLJ-UHFFFAOYSA-N 424.284 4.395 0 1 HIAF COc1ccc2c(c1)CC(=O)N2[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 299862825 KBJNWPWJHLZMDH-QFIPXVFZSA-N 412.917 4.428 0 1 HIAF COc1ccc(S(=O)(=O)Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 586920746 QKQXVWGWOJRGIO-UHFFFAOYSA-N 402.419 4.157 0 1 HIAF O=S(=O)(Cc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950371 DYQAUHRCJQBRTE-UHFFFAOYSA-N 404.923 4.149 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2c1 587090215 NQLFSEWSXCNKGJ-NSHDSACASA-N 403.557 4.426 0 1 HIAF O=C(COc1ccccc1-c1nc2cc3cn[nH]c3cc2[nH]1)Nc1ccccc1F 587153972 HHYXTFWTNSTJTL-UHFFFAOYSA-N 401.401 4.263 0 1 HIAF N[C@H](N=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587183244 BVQSCZIDKBKOCI-HQQUCIOCSA-N 404.211 4.062 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(c3ccncc3)CC2)[C@@H]1c1ccc(F)cc1 587342504 FBYWCXKUCCUTQL-JOCHJYFZSA-N 404.441 4.324 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421268 JONNIRXEZFMNKK-IIBYNOLFSA-N 420.383 4.310 0 1 HIAF CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431733 QUFDLIXHKUZDGC-OSPHWJPCSA-N 405.450 4.178 0 1 HIAF COc1cc2c3c(c1)OC1(C[C@@H]4CC[C@H](C1)N4C(=O)OCc1ccccc1)[C@@H](C2)C3=O 587436728 UOCPKIMNLDWBNZ-JWMSUZKHSA-N 419.477 4.145 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccccc1OCC(=O)N(C)C)CC2=O 587468139 ICAPJHCRZVMSON-DEOSSOPVSA-N 411.498 4.082 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cnccn1 587574005 XVLRHNSNLYYBKL-ZJSXRUAMSA-N 414.392 4.227 0 1 HIAF C[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587584585 YVNYIAXBLKXJBL-SEIFXHLTSA-N 401.462 4.245 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1CCCNC1 587595883 PJMJLXBTDVDMSE-KDSXSNECSA-N 401.462 4.249 0 1 HIAF C[C@@]1(c2cccc(N3CCCC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597030 UCLHZDWFVOYRTL-RDGATRHJSA-N 415.445 4.396 0 1 HIAF COc1cccc(-c2cc(C(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)c1 587652203 XWMOQJKAWKRFMZ-UHFFFAOYSA-N 414.799 4.442 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(Cl)cc3)n2)N1 587694329 GNSYEDCBBBTFGX-MGNBDDOMSA-N 421.701 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCNC(=O)OCc2ccccc2)N1 587756954 SNWXRKFOUSHHOE-DJJJIMSYSA-N 421.310 4.480 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCOCC2)N1 587775133 QXQRXQQFAKLJSX-RNODOKPDSA-N 405.311 4.048 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCNCC2)N1 587798724 VPWJUIXBDPPPAO-SPLOXXLWSA-N 403.339 4.366 0 1 HIAF CCOc1cc(-n2c(O)cc(-c3ccccc3OC)c2O)c(Cl)cc1C(=O)O 587939648 DGWOWZCAWJOSJS-UHFFFAOYSA-N 403.818 4.314 0 1 HIAF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1NCc1ccccc1Br 587940048 JAYZRTYKPWREKW-UHFFFAOYSA-N 419.344 4.373 0 1 HIAF NC(=O)c1cc([C@]2(Cc3ccccc3)NCCc3c(Cl)cc(Cl)cc32)c[nH]1 963123879 PYKBBHZQEOHREV-NRFANRHFSA-N 400.309 4.052 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1n[nH]cc1Cl 963841470 PHCRLNQTBAMHMZ-ACJLOTCBSA-N 405.882 4.097 0 1 HIAF CCn1c([C@@](O)(c2ccc(C)cc2)c2ncccc2F)nc2ccc(CCCO)cc21 1857612805 QKJAPKXKEHUBFZ-RUZDIDTESA-N 419.500 4.108 0 1 HIAF COc1ccc(NC(=O)N[C@@H](C(=O)N[C@H](C)c2ccccc2)c2ccccc2)cc1 1857646144 SFBUNMPUSBZKCY-VGOFRKELSA-N 403.482 4.435 0 1 HIAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 2356305873 OCTAJGSIXUSXQB-XUVXKRRUSA-N 403.530 4.180 0 1 HIAF CC(=O)Nc1cc(-c2cccc(C)c2)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12 61927655 DMWSKGZJGCBXCB-UHFFFAOYSA-N 419.506 4.339 0 3 HIAF CSc1ccc(C[C@@]2(CCC(=O)N3CCc4sccc4C3)CCC(=O)N2)cc1 12217855 VZFCPGVIJPVHND-QFIPXVFZSA-N 414.596 4.026 0 1 HIAF NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2coc3cc(F)ccc23)CC1 26493962 URMWJMIKSZNNLQ-QHCPKHFHSA-N 420.484 4.464 0 1 HIAF C[C@@H](C1=C(O)[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O)c1ccccc1 26837957 VMPXKFBRICFDMH-NSYGIPOTSA-N 407.510 4.445 0 1 HIAF CC[C@@H](O)[C@@H](O)n1c(=O)c(-c2ccccc2C)c(-c2ccncc2)c2ccccc21 29040016 DUVVQFBTVHFVNE-ZJSXRUAMSA-N 400.478 4.301 0 1 HIAF N=C(N)c1ccc2c(ccn2Cc2ccc(Cn3ccc4cc(C(=N)N)ccc43)cc2)c1 29467447 OVADQQLQAAPZNJ-UHFFFAOYSA-N 420.520 4.261 0 1 HIAF COc1ccc(CN2CCN([C@H](c3ccccc3)[C@@H](O)c3ccccc3)CC2)cc1 39238985 LYTUIICOBLXIQR-FTJBHMTQSA-N 402.538 4.288 0 1 HIAF CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(Cn4ccnc4)cc3)n2n1 40976120 RNHNMERFKNNWMB-UHFFFAOYSA-N 412.472 4.417 0 1 HIAF O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCCCC2)cc1 66262554 LOVAEQYMKDVCHF-UHFFFAOYSA-N 404.510 4.281 0 1 HIAF C[C@@H]1CCCCN1CCCNCc1ccc(CNCCCN2CCCC[C@H]2C)cc1 95556653 CAAWJPKOKADKRS-DNQXCXABSA-N 414.682 4.395 0 1 HIAF C[C@H]1C(=O)N[C@H](c2ccc(F)cc2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C 95661328 GDGOWZRPPFKRJA-QWSZYGFMSA-N 410.489 4.261 0 1 HIAF CCCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C 201104802 IRGFZOISHZVQAW-ZJCBTPCYSA-N 412.574 4.014 0 1 HIAF CC(C)OC(=O)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1 220521151 SLHUAYAGWNBZQC-UHFFFAOYSA-N 408.439 4.277 0 1 HIAF O[C@@H]1C[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)c2ccccc21 586905204 ZJEYECASIWCFBU-MWLCHTKSSA-N 409.081 4.052 0 1 HIAF CC(C)(C)OC(=O)N1CC(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586987400 AHVUTSBRVGRTNC-UHFFFAOYSA-N 402.450 4.486 0 1 HIAF CCn1cc(Br)c(Cc2nc3cc(Br)c(F)cc3[nH]2)n1 587000316 LOJQVIJAMPHVES-UHFFFAOYSA-N 402.065 4.034 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 587007803 RWNGTUBGSKMZRH-UHFFFAOYSA-N 407.069 4.335 0 1 HIAF COC(=O)c1cccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c12 587155465 ZCLKVCHDVJSYMI-UHFFFAOYSA-N 419.412 4.173 0 1 HIAF CC[C@@H](c1nc2cnc3ccccc3c2[nH]1)n1cc(I)c(C)n1 587185898 YFGOGSKVWATGHW-HNNXBMFYSA-N 417.254 4.220 0 1 HIAF C[C@@H]1CN(Cc2ccccn2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581345 HBYNTKLYQFBDIM-SEIFXHLTSA-N 416.477 4.030 0 1 HIAF CCCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587608780 SRXWIZTXOOQMOI-NZQKXSOJSA-N 424.474 4.279 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(Cl)s1 587615161 WSLWKLRYBWNUNZ-KXBFYZLASA-N 402.811 4.049 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\C(=O)O)(c2ccc(F)cc2)N1 587732873 KQTUTWJBAYABBI-AYJOZJFTSA-N 408.242 4.146 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3cc(F)ccc3c2=O)N1 587734341 QRXPYONLZUESHD-NIVTXAMTSA-N 406.226 4.457 0 1 HIAF C[C@@H](CC(=O)O)[C@]1(c2ccc(N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587744744 IIXJJEXGHDWUIM-XXRNEEKGSA-N 421.310 4.059 0 1 HIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587805657 HALSVGRNTYXOIN-BIBXISHDSA-N 424.310 4.412 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccncn3)s2)N1 587851859 CZAPJOYYWXNCBJ-ABKXIKBNSA-N 405.296 4.125 0 1 HIAF O=C1c2ccccc2-c2nc3c(CN4CCC(N5CCCCC5)CC4)cccc3nc21 653716311 YPPDETPOWCAAQM-UHFFFAOYSA-N 412.537 4.292 0 1 HIAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(C2)NCCc2c(Cl)cc(Cl)cc21 963110547 MZIRNBONHDVYJU-NBHSMZAVSA-N 404.359 4.049 0 1 HIAF O=C(O)CN1C=C[C@@]2(NCCc3c(Cl)cc(Cl)cc32)c2cccc(Cl)c21 963120571 KJKBBYNXVSKVKN-LJQANCHMSA-N 409.700 4.454 0 1 HIAF CCc1ccc(S(=O)(=O)Nc2cccc(-c3csc(NC(C)=O)n3)c2)cc1 1255085376 XSWWZHMQSRMZQC-UHFFFAOYSA-N 401.513 4.132 0 1 HIAF O=C(C1CCCCC1)N1CCCN(c2ccn3cc(-c4ccc(F)cc4)nc3n2)CC1 1857571227 XQORONRWGPZGQX-UHFFFAOYSA-N 421.520 4.154 0 1 HIAF NC(=S)c1cccc(-c2cn(CC3C(F)(F)C3(F)F)c3cc(CO)ccc23)c1 1857598065 VVFONUIAFSPILK-UHFFFAOYSA-N 408.420 4.335 0 1 HIAF C[C@H](CCCCCCCCCCCC=CC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 2356345373 PHSQDXKUQRUWOG-MMXRJIGESA-N 400.556 4.180 0 1 HIAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 61906017 QFVSTKPCOJOUBV-FQEVSTJZSA-N 417.465 4.229 0 3 HIAF CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N[C@@H](C)c3ccccc3)c(C)c2c1 2459869 KHONENYAQOQGNH-INIZCTEOSA-N 414.527 4.263 0 1 HIAF C[C@@H](OC(=O)c1ccccc1)n1c([S@@](=O)Cc2ccccn2)nc2ccccc21 13820766 XNXLQABJKJXONG-HYDGNGQDSA-N 405.479 4.115 0 1 HIAF O=C(NCc1ccccn1)[C@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 13829076 BRBGLGBDWVWNNW-CNEDASOKSA-N 404.432 4.369 0 1 HIAF COc1cc2ncnc(N3CC[C@@H](Oc4ccc5nc(C)ccc5c4)C3)c2cc1OC 14956496 ZVHAIWYVZBCKIO-GOSISDBHSA-N 416.481 4.161 0 1 HIAF COc1ccc(Cl)c([C@]2(F)C(=O)Nc3c(I)cccc32)c1 25979449 ZDPYQOLUKROVSN-HNNXBMFYSA-N 417.605 4.118 0 1 HIAF CC(C)c1csc(COc2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)n1 27421960 YIRXFAPFUAACKB-UHFFFAOYSA-N 402.447 4.333 0 1 HIAF Cc1ccc(S(=O)(=O)N(C)CCCNc2ccnc3cc(Cl)ccc23)cc1 35190811 RXQFVYUHRHOIHD-UHFFFAOYSA-N 403.935 4.319 0 1 HIAF CC(C)(C)c1csc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)n1 71317756 INGOGTFUMZGBBN-GZBFAFLISA-N 406.577 4.237 0 1 HIAF Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)co1 82069814 NJHQVXINLSTVIR-UHFFFAOYSA-N 403.482 4.206 0 1 HIAF COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2)n1 82132395 LSAWXMNZCIMVOS-LMQGHGSNSA-N 422.573 4.393 0 1 HIAF COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1NC(=O)Nc1ccccc1 116343151 OHXYLIUHLBLYIQ-UHFFFAOYSA-N 408.462 4.209 0 1 HIAF C[C@H]([C@H]1C[C@H]1C(=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 118919938 SPBCVLSZAPVLJN-JOLFMYFHSA-N 404.591 4.334 0 1 HIAF CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncnc(OC)c3c2)c1Cl 143513807 WHFIUGREDWCPSI-UHFFFAOYSA-N 424.885 4.326 0 1 HIAF CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cc(-c5ccccc5)no4)cc3n21 147721236 LEZHPBJZDSCULQ-UHFFFAOYSA-N 400.438 4.027 0 1 HIAF Cc1nc(CCNC(=O)c2ccc(NC(=O)N3Cc4ccc(F)cc4C3)cc2)cs1 166245949 PEOGJTBBMLPLSG-UHFFFAOYSA-N 424.501 4.111 0 1 HIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc(OCC(F)F)cc1 166333778 IWXLLWPXBZDXRN-RHSMWYFYSA-N 405.441 4.457 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CNc2nc(O)c(Cc3ccccc3)[nH]2)cc1 169730187 YBPWIODUMCNMCC-UHFFFAOYSA-N 413.481 4.153 0 1 HIAF CCOC(=O)[C@H]1[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C 253684027 FRGNNZYHLRTEQP-GXRSIYKFSA-N 415.480 4.485 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@H]3CCCCC3=O)CN(C)[C@H]1C2 253686966 HFQSQNJGOYLPPV-FAHLNCGFSA-N 408.542 4.237 0 1 HIAF Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NCc2ccccc2)c(-c2ccco2)c1 299822299 ICJDLYIJILCLAK-UHFFFAOYSA-N 400.438 4.160 0 1 HIAF O=C(O)c1cccnc1NC(=O)N1C[C@H]2C[C@@H](c3ccccc3C(F)(F)F)C[C@H]2C1 299835627 MDWUZADCYVCQNO-ZSOGYDGISA-N 419.403 4.456 0 1 HIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cc(C)cc3[nH]2)cc1 586938020 UAFABIHVLXPOBU-LBPRGKRZSA-N 422.348 4.378 0 1 HIAF O=C(O)c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1F 587184418 SIVBKIRBVRVTTO-PLNGDYQASA-N 408.170 4.175 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)C[C@H]1CCCO1 587198116 YNLPKCWWLBUTQW-SNVBAGLBSA-N 401.294 4.181 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(F)cnc(Br)c2[nH]1)C(C)(C)C 587202563 BDKZVDMQTDEDQV-JTQLQIEISA-N 415.307 4.341 0 1 HIAF CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(C)ccc21 587335255 GZAXVCUECMMNED-DHLKQENFSA-N 417.436 4.461 0 1 HIAF CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420552 INTCXGZJFSGFGO-IEGUWTFLSA-N 414.885 4.277 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(N2CCOCC2)=CSc2ccccc21 587500964 VQTVMIROMVSIEH-XMMPIXPASA-N 423.534 4.485 0 1 HIAF COC(=O)c1cccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509705 FBPRSXDPZHCWOC-XMMPIXPASA-N 407.466 4.105 0 1 HIAF O=C1CC2(CCN([C@@H](C(=O)O)c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587514825 POOBNYMGENDSFM-JOCHJYFZSA-N 405.494 4.191 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC2CCOCC2)nc1 587588976 SPWVCZCMEXSWJB-ZJSXRUAMSA-N 419.433 4.048 0 1 HIAF CC[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609515 NETOJSYJGIAMFV-ZJSXRUAMSA-N 404.418 4.431 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797184 MFKPQPRIVPFTRJ-RNODOKPDSA-N 406.295 4.238 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3nncn3C)o2)N1 587847431 XUKTVIYYTFUEQA-ABKXIKBNSA-N 423.311 4.085 0 1 HIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 963220877 IUJCLBZBMUCOHR-PKOBYXMFSA-N 422.353 4.275 0 1 HIAF Cc1cc(C)c(CN2CCc3c(Cl)cc([C@H](C)CO)c(Cl)c3C2=O)c(O)n1 1772633994 GMVWARWJGLYCAS-LLVKDONJSA-N 409.313 4.005 0 1 HIAF CC(C)(CCCOc1ccc(/C=C/c2ccccc2)cc1)C(=O)NS(C)(=O)=O 1911574251 KKYRAPPKZQZCBD-ZHACJKMWSA-N 401.528 4.118 0 1 HIAF CC(C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356477578 AJBRSFMZZWORQQ-JBEYIEEHSA-N 418.618 4.119 0 1 HIAF COc1ccc([C@H]2C[C@@](O)(c3ccccc3)Oc3cc(OC)c(OC)c(OC)c32)cc1 13661789 IYDPIEGDRKLHSY-CLOONOSVSA-N 422.477 4.481 0 3 HIAF CC(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4cccc(C(C)=O)c4)n3c2)c1 61896548 KTKHFAVWIINTRH-UHFFFAOYSA-N 412.449 4.398 0 3 HIAF O=C(N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cc(-c2ccccc2)no1 199716420 QWFWNJQBFAITGY-LJQANCHMSA-N 423.900 4.306 0 3 HIAF COc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccccc2)cc1OC 2724825 JNHYOUNKJCMZCN-HSZRJFAPSA-N 420.440 4.027 0 1 HIAF CS(=O)(=O)Nc1cc2c(cc1Sc1ncc(Cl)cc1Cl)C(=O)CC2 3814809 UTKWUVCLIJBSRQ-UHFFFAOYSA-N 403.312 4.040 0 1 HIAF O=c1[nH]c2cc(Nc3ccccc3)c(N3CCNCC3)cc2n1CC1CCCCC1 3942720 KDXLARCEIFDUMM-UHFFFAOYSA-N 405.546 4.063 0 1 HIAF Cn1cc(-c2nc3cnc(Oc4ccccc4)nc3n(C3CC3)c2=O)c2ccccc21 4238637 SKLXDVAUBXCFFH-UHFFFAOYSA-N 409.449 4.472 0 1 HIAF Cc1c(NC(=O)N[C@@H]2CCCC[C@@H]2C)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 6750173 LNALFQYNVIFRKC-VNHYZAJKSA-N 402.564 4.439 0 1 HIAF Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@H]3C[C@@H]3CO)sc2c1 13533990 BZYZDQJLCCLWKI-OLZOCXBDSA-N 415.902 4.077 0 1 HIAF CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ccncc1C(=O)O 13832872 URAYHXQMPUXVFI-UHFFFAOYSA-N 414.469 4.044 0 1 HIAF COc1ccccc1[C@@H]1Oc2cccc(OC)c2-c2ccc(NS(C)(=O)=O)cc21 26189407 CSXWYBLZLIWXQQ-QFIPXVFZSA-N 411.479 4.224 0 1 HIAF CC(=O)N1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)CC1 28570289 CCZSCWIBOWLLIO-UHFFFAOYSA-N 415.497 4.084 0 1 HIAF COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1 28823105 JINSIHHRPCXDRA-QFIPXVFZSA-N 407.535 4.221 0 1 HIAF COc1ccc(OC(F)(F)F)cc1CN[C@@H]1CC[C@H]2CC[C@]1(c1ccccc1)N2 34341437 GXIFPPFQXPIEKY-IOMROCGXSA-N 406.448 4.493 0 1 HIAF COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@H]2c1ccc(OC[C@H](O)CO)cc1 38558967 YDDPQONJKPRFEC-YMVVMYQSSA-N 404.506 4.289 0 1 HIAF COC(=O)N(CC(=O)O)[C@@H](C)c1cccc(OCc2coc(-c3ccc(C)cc3)n2)c1 49049505 UEQLFPRAVNJMSI-INIZCTEOSA-N 424.453 4.443 0 1 HIAF COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Br)cc3)C[C@H]2C)cc1 72103626 QKJICQXHWUJCOQ-FZKQIMNGSA-N 417.303 4.085 0 1 HIAF CN(C)S(=O)(=O)c1cccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 72110841 WGAOJZNEXJDBEO-HSZRJFAPSA-N 416.587 4.266 0 1 HIAF COc1ccc(-n2cnc3c(sc4ncnc(Nc5ccccc5)c43)c2=O)cc1 95562492 HCBOOFLTPUBQCD-UHFFFAOYSA-N 401.451 4.143 0 1 HIAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cc(F)cc(Br)c1)O3 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VXQHYYHXOOBTMU-UHFFFAOYSA-N 411.259 4.273 0 1 HIAF COC(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587024999 DLGGRSGQQCACNI-SNRMKQJTSA-N 423.538 4.486 0 1 HIAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C)cc4[nH]3)ccc2s1 587032858 BWNLLRNIHOKSBC-UHFFFAOYSA-N 423.494 4.418 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cccc(O)c3[nH]2)c1 587047932 CNDUZUSJIZXOSE-UHFFFAOYSA-N 400.866 4.232 0 1 HIAF Fc1cc(Br)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587084712 HINQHFSZHRMDJG-UHFFFAOYSA-N 410.678 4.292 0 1 HIAF COc1nccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 587131018 VOLKBJWEXNIFGV-UHFFFAOYSA-N 422.395 4.184 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]1c1ccc(F)cc1 587327524 GVPOQXNKNFOEAN-PGRDOPGGSA-N 409.800 4.391 0 1 HIAF C[C@]1(Cn2nnc3ccccc32)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342738 PKSWCSDYOURINY-JTHBVZDNSA-N 403.413 4.094 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)c(F)c(O)c(F)c1F 587554993 JZVIQIRNDGIWFD-YUNKPMOVSA-N 406.287 4.357 0 1 HIAF Cc1ccncc1[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584550 AYYKOBQTFWEDNN-WIOPSUGQSA-N 410.429 4.396 0 1 HIAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)OC 587597976 STGMXLDPDJOLGY-REWPJTCUSA-N 420.417 4.280 0 1 HIAF CC[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc(Cl)cn1 587657757 ZIBKBPJKLLQYSO-GOSISDBHSA-N 410.836 4.344 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587776568 XJFRRMWSDMSHKW-BJINURBMSA-N 411.315 4.101 0 1 HIAF CCS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587849467 LVVSIVYTBJSCMY-BBATYDOGSA-N 412.324 4.005 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Cn1cc(Cl)cn1 587860896 IQORNJCNTLFHMQ-NSHDSACASA-N 412.799 4.404 0 1 HIAF Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl 653708452 GZTLLBIEEIZFFD-BSPHMWTBSA-N 423.918 4.099 0 1 HIAF C[C@H](N)C[C@]1(c2cccs2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951508 FCXGUQZFYGFMNH-XOBRGWDASA-N 410.505 4.399 0 1 HIAF CCC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@@H](O)C2)cc1 1772605073 DSMCYKBYZXNGRO-XDHUDOTRSA-N 408.542 4.112 0 1 HIAF COc1ccccc1[C@H]1CCN([C@H](C)c2nc(O)c3cnn(C4CCCC4)c3n2)C1 1772639060 ZYSVTXDBLIGAKX-CVEARBPZSA-N 407.518 4.206 0 1 HIAF CCNC(=O)Nc1ccc(-c2cc(=O)n3nc(C)c(-c4ccc(Cl)cc4)c3[nH]2)cc1 1857620882 XTCRNCOFTHLFEF-UHFFFAOYSA-N 421.888 4.460 0 1 HIAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(-c2ccc(F)cc2)nn1 1857634429 FRBWWQVJBFGRJV-UHFFFAOYSA-N 423.395 4.179 0 1 HIAF CC(C)=CCc1c(O)c2c(c3c1O[C@H](C(C)(C)O)C3)OC[C@H](c1ccc(O)cc1)C2=O 2356427832 ODCYMWRNQUTVAA-MOPGFXCFSA-N 424.493 4.040 0 1 HIAF C[C@]1(C(=O)Nc2ccc3[nH]ncc3c2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61902989 CMUFWQVEFXVXNH-AREMUKBSSA-N 424.504 4.402 0 3 HIAF CC[C@@H](Cc1ccc(OC)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1)C(=O)O 603845 VJMQPSAWRWCRIL-INIZCTEOSA-N 423.431 4.340 0 1 HIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C 3978718 OHXPGWPVLFPUSM-UPELEZSGSA-N 402.531 4.073 0 1 HIAF O=C(c1ccc(CN2CCN(c3cccc4ccoc34)CC2)s1)N1CCCCC1 13743847 DWMODKKMMSDCPG-UHFFFAOYSA-N 409.555 4.443 0 1 HIAF CC[C@H](C)C(=O)O[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 27523306 PCZOHLXUXFIOCF-QEAVJYPTSA-N 404.547 4.196 0 1 HIAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)/C=C/C(C)=C(C)C 27758854 PVBQHIVVQASVKJ-NRNVWOFXSA-N 418.574 4.452 0 1 HIAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](CN1CCCC1)CC3=O 45254046 LTLBITMQNYBDRF-MRXNPFEDSA-N 423.509 4.359 0 1 HIAF O=C([C@@H]1CCCCN1)N1C[C@@H](c2ccccc2)c2ccccc2[C@@H]1CN1CCCCC1 45299543 DEJHKAVMUZLZED-GSDHBNRESA-N 417.597 4.330 0 1 HIAF Cc1cc(OCCCN2C[C@H]3NCC[C@@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49036108 GWXYGVYIVWODLJ-VGOFRKELSA-N 408.521 4.048 0 1 HIAF O=C(NC1CC1)c1ccc(Cl)c(Nc2nncc3c2cnn3-c2ccc(F)cc2)c1 49112308 CRKQRYLKLKGGSF-UHFFFAOYSA-N 422.851 4.244 0 1 HIAF CCN(CC)C(=O)c1ccc([C@@H](c2cccc(OC)c2)N2CC(C)(C)NC[C@H]2C)cc1 58501909 HAILLLUQXQOSOC-DVECYGJZSA-N 423.601 4.339 0 1 HIAF Cc1ccc(N2C(=N)C(=S)N(c3ccc(I)cc3)C2=O)cc1 69061615 JOXDTYQENALDJZ-UHFFFAOYSA-N 421.263 4.351 0 1 HIAF COc1cccc(C(=O)Nc2ccc3[nH]c(-c4cccc(OC)c4)cc(=O)c3c2)c1 72104275 JHPKRIYHKDTDGK-UHFFFAOYSA-N 400.434 4.465 0 1 HIAF CC(C)(O)c1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 96928687 MYHUIHDQVJQUCD-UHFFFAOYSA-N 408.285 4.217 0 1 HIAF Cc1csc(Nc2ncnc3scc(-c4cccc(S(C)(=O)=O)c4)c23)n1 114805036 GPFZDLWQMDGPFA-UHFFFAOYSA-N 402.526 4.270 0 1 HIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N[C@@H](C)CO)no2)cc1C#N 117395284 KWBICGIAQJQQIG-YCRPNKLZSA-N 418.497 4.020 0 1 HIAF Cc1nc2ccc(C(C)C)nc2n2c(-c3cc(OCC(C)(C)O)ccc3F)nnc12 145732328 MFYPACMMNWKUPW-UHFFFAOYSA-N 409.465 4.060 0 1 HIAF Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cncnc12 148421278 ZNHJAJPEXKJBGT-UHFFFAOYSA-N 403.446 4.010 0 1 HIAF CC(C)C1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 169341478 MOTPDHRZFWUQNR-UHFFFAOYSA-N 407.561 4.345 0 1 HIAF CN1CCC(Nc2ccc3ncc(-c4ccc(Nc5ccccn5)c(F)c4)n3n2)CC1 169346054 CRCYUNCQSDSJIU-UHFFFAOYSA-N 417.492 4.180 0 1 HIAF C[C@@H]1O[C@@H](OCCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O 219956172 BEKLYIAFACFFDO-UPBMBJRSSA-N 400.556 4.182 0 1 HIAF in-vitro CCC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(I)c(Cl)c1)N2 253637428 IPBBJWDRJMAEIL-FNNPODNZSA-N 403.691 4.148 0 1 HIAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Cl)cc(C)c4[nH]3)c2)o1 586923252 HMMHLLCCYFLTLO-UHFFFAOYSA-N 416.890 4.111 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@@H]2CCCC[C@H]21 587028217 WQQKAIYMOPQDME-MJBXVCDLSA-N 401.923 4.143 0 1 HIAF COc1ccc2nc(-c3nc4c(C(=O)O)cc(Br)cc4[nH]3)sc2c1 587034921 JPHFXLYKDBUQAI-UHFFFAOYSA-N 404.245 4.309 0 1 HIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(=O)OC)nc2[nH]1 587035406 TXVXUIBHHBVASU-ZDUSSCGKSA-N 408.483 4.230 0 1 HIAF Cc1onc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)c1COc1ccc(Cl)cc1 587077909 BWOQFXMMPORFRP-UHFFFAOYSA-N 410.817 4.090 0 1 HIAF Cc1ccc2c3c(cc(-c4ccc(S(N)(=O)=O)cc4)nc13)-c1ccccc1C2=O 587102402 PGDPDJMZWRPLHA-UHFFFAOYSA-N 400.459 4.069 0 1 HIAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1S(N)(=O)=O 587209176 MIFLIEJYGMOSQF-UHFFFAOYSA-N 400.459 4.069 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)N3CCCc4cccc2c43)[C@H]1c1ccc(F)cc1 587349267 UDQKAXRKTLSFJR-OFVILXPXSA-N 415.420 4.079 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)Cc4ccccc4)cc1)[C@@H](C2)C3=O 587447538 BPJCGQHPSKULLA-GBXCKJPGSA-N 420.486 4.158 0 1 HIAF COc1cc2c3c(c1)O[C@]1(c4ccc(C)cc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587453510 OYQONOXQYBVMAB-UPCLLVRISA-N 402.402 4.212 0 1 HIAF COc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)nc2c1 587587907 QQUANBXUDKQCOI-OFNKIYASSA-N 415.401 4.358 0 1 HIAF CC(C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CO 587597418 UIUSEKYTDQQOCM-XUZZJYLKSA-N 406.434 4.375 0 1 HIAF CC(C)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587598670 XVTOBNPJOHQRFS-OFVILXPXSA-N 415.445 4.252 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(C(=O)O)N1 587729032 BRZKHEJEQXFZQY-YAVQKDKNSA-N 408.242 4.255 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2OCCO2)(c2cccc(F)c2)N1 587733249 QCHQKLKKBXSHGT-FKIZINRSSA-N 424.285 4.268 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccn(C)n2)N1 587734390 NDTWXPWZVUUMGK-YUNKPMOVSA-N 418.285 4.287 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)nc(N3CCCC3)c2)N1 587738066 JUHQRJLOPASZPR-JEOXALJRSA-N 408.290 4.346 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccc(N)cc2)N1 587747821 SBNAACFCUOFPLF-LRTDBIEQSA-N 412.306 4.392 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N(C)c2ccccc2)N1 587754820 LCTCCTZEDGCZNV-XCLFUZPHSA-N 405.311 4.391 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(OC)c(C)c3OC)nc2c1 587787014 JCIFQQJUDUDQRC-UHFFFAOYSA-N 419.275 4.495 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)OCc2ccccc2)N1 587803888 YEQYADGYQSPVOW-RNODOKPDSA-N 406.295 4.471 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C(F)(F)F)n(C)n1 587861320 RUTXRGWNDKMJTM-UHFFFAOYSA-N 418.297 4.018 0 1 HIAF Oc1cc(-c2cccc(Br)c2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587946834 XOXPYCYZJIQDOB-UHFFFAOYSA-N 415.222 4.242 0 1 HIAF CCOC(=O)c1cccc([C@]2(C3CCCC3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962905266 ZKGOBBFZFDLHRO-URXFXBBRSA-N 411.473 4.035 0 1 HIAF Cc1c([C@@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)c(N2CCCC2)nc2ccccc12 962925577 WAIMJFDHPPDJQO-OFVILXPXSA-N 419.500 4.145 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 962951702 OUKFYTCUFZUHKJ-MYYSRTQBSA-N 400.482 4.343 0 1 HIAF COc1ccc(-c2cn3cc(C4=CCN(C(=O)C5CCC5)CC4)ccc3n2)cc1OC 1857563520 KYPGMIGCRPCYAA-UHFFFAOYSA-N 417.509 4.434 0 1 HIAF N=c1[nH]cc(-c2ccccc2)n1CCCCCCn1c(-c2ccccc2)c[nH]c1=N 1857642429 XEUCLHQIGDFNHL-UHFFFAOYSA-N 400.530 4.499 0 1 HIAF COc1ccc(-c2csc(NC3=CS(=O)(=O)c4ccccc43)n2)cc1OC 1857751848 WCTMRLPDSDRBMH-UHFFFAOYSA-N 400.481 4.025 0 1 HIAF CC(=CC=C1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@](C)(CO)CCC[C@@]12C 2356409858 UQABFAYKAMYBGT-PSJHPLHGSA-N 418.574 4.037 0 1 HIAF CC(C)(C)NC(=O)[C@@H](C1CC1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 95571564 MQCWVQDWMXXHLX-JOCHJYFZSA-N 414.509 4.411 0 3 HIAF CN(CC(=O)N[C@H](c1ccccc1)C1CCCCC1)C[C@H]1COc2ccccc2O1 26386672 UPZZRIFESLDQNC-SQJMNOBHSA-N 408.542 4.196 0 1 HIAF COC(=O)[C@]1(c2ccccc2)C[C@H]1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 29546345 ZQZLNUMNWMAXIZ-GCJLEDGASA-N 405.538 4.047 0 1 HIAF C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C 40391637 CLMGAZWYZXAAJO-FURQXPDPSA-N 418.530 4.047 0 1 HIAF in-vitro Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3n2)n1 49807628 PJMPKQWVPZMLKT-UHFFFAOYSA-N 420.476 4.080 0 1 HIAF O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnncc2c1 72178621 SKCLXSULKQAAON-FQEVSTJZSA-N 415.324 4.407 0 1 HIAF CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(CCO)c(=O)c12 73223220 RHSHNLWTFYKAAL-UHFFFAOYSA-N 403.910 4.029 0 1 HIAF O=C(NCc1ccccc1C(F)(F)F)c1cnc(N2CCCC2)nc1-c1ccco1 82141770 ZQSOOHFCCPHMKA-UHFFFAOYSA-N 416.403 4.286 0 1 HIAF CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2ccccn2)cc1Cl 95552173 FROPKILFCBRCRO-MRXNPFEDSA-N 406.935 4.441 0 1 HIAF O=C(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21 95798534 WUFOPPOKIVHBCP-ZTCOLXNVSA-N 402.469 4.483 0 1 HIAF COCCN(C)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96174007 JXWPTUDLGMTVMN-UHFFFAOYSA-N 412.497 4.132 0 1 HIAF COc1ccc(-n2nc(C(=O)OCCC(C)C)cc2-c2ccc(Cl)cc2)nn1 96928090 ZLHNUIISVNOINR-UHFFFAOYSA-N 400.866 4.194 0 1 HIAF CCc1nc(-c2ccccc2F)c(C(=O)N2CCN(c3cccc(OC)c3)CC2)o1 103291256 FIDOKPSOTNDLKE-UHFFFAOYSA-N 409.461 4.014 0 1 HIAF COc1cc(CN2C(=O)[C@@H](C)C[C@H]2c2c(OC)cccc2OC)ccc1OC(F)F 167382789 HNDLNRVVUUYXHR-ZFWWWQNUSA-N 421.440 4.424 0 1 HIAF COc1ncnc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1 167384184 CFMRJFPIIUTGPS-FQEVSTJZSA-N 403.482 4.415 0 1 HIAF C[C@@H](NC(=S)COc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1 169236752 NKKLEOMSAKKLPI-OAHLLOKOSA-N 420.600 4.413 0 1 HIAF NCCCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 169710687 VPUIIVHFTCBYDO-SFHVURJKSA-N 409.511 4.080 0 1 HIAF CC1=CC(=O)O/C1=C\[C@H](O)[C@@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@@]2(C)O1 238734226 HXIGCIAAEQXXQZ-SKHJZJDCSA-N 418.574 4.276 0 1 HIAF Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H](Oc3cccc4ccccc34)C2)c1 299870944 XGJFQXRSZAUGJO-FQEVSTJZSA-N 412.493 4.413 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ccc(O)cc3[nH]1)C(=O)OC2 586915858 SGIIGNJHWYZEDB-QCDXTXTGSA-N 408.454 4.083 0 1 HIAF CCOc1cc(/C=C\c2nc3cc(OC)ncc3[nH]2)cc(Br)c1OC 586977342 FMQUOMRXRJBTKW-WAYWQWQTSA-N 404.264 4.307 0 1 HIAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(F)c2[nH]1 586984523 SBAPWFNNYJXPRN-GFCCVEGCSA-N 413.088 4.470 0 1 HIAF COc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(C(F)(F)F)c1 587097656 MLPOCACKAKGYDS-UHFFFAOYSA-N 402.376 4.013 0 1 HIAF CS(=O)(=O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587149954 JBJVYTQHRHPXEY-HXUWFJFHSA-N 414.433 4.413 0 1 HIAF Cc1ccc(-n2c(N(C)C)nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2Cl)cc1 587380269 SEZDZTCJOQXMQF-GOSISDBHSA-N 410.905 4.497 0 1 HIAF COC(=O)c1ccccc1[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445391 YMKFZEYMZISWNX-NLFFAJNJSA-N 400.430 4.173 0 1 HIAF Cc1ccccc1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656506 LWKOYERJUZRNSI-UHFFFAOYSA-N 406.388 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCc2ccc(F)cc2)N1 587735129 PJAIKTYLCCOMFO-ODXCJYRJSA-N 423.301 4.183 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cccc(F)c2)N1 587736337 ZKLXSXKLFJJHFG-WLRWDXFRSA-N 410.258 4.370 0 1 HIAF COc1ccc2c(c1)nc([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)n2C 587755223 GXCYBGYVCPDAMA-XTZNXHDOSA-N 404.283 4.107 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccncn2)(c2ccccc2)N1 587776432 CNOHJNWZPAMGQX-LHSJRXKWSA-N 412.306 4.399 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(C(=O)O)ccc32)N1 587827759 QSJNUEHGAPPWBS-BIBXISHDSA-N 404.279 4.401 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)([C@H](O)c2ccco2)N1 587828638 OQAFIIDVYLMWNP-CXWAGAITSA-N 406.251 4.286 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc(C)c(Br)c1C 587869832 SRAIAOYMGUYUHV-UHFFFAOYSA-N 421.270 4.004 0 1 HIAF C[C@]1(CC(=O)NCc2ccc3c(c2)OCO3)NCCc2cc(-c3ccccc3)ccc21 962667026 UTQHEJHYUJGYMH-AREMUKBSSA-N 414.505 4.150 0 1 HIAF C[C@]1(CC(=O)c2ccncc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949084 AVWWKANCFKCYCH-HXUWFJFHSA-N 404.432 4.240 0 1 HIAF Cc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2cccnn2)cn1C(C)C 1772656226 LBHIYTDRZGPANV-UHFFFAOYSA-N 412.440 4.062 0 1 HIAF CCOc1cccc(C2=NN(C(=O)OC)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c1 1857603978 CPDDFGVIKWUDFH-GOSISDBHSA-N 414.458 4.029 0 1 HIAF Cn1nc(C(C)(C)C)cc1NC(=O)[C@@]1(C)CCN1C(=O)C1(c2ccccc2)CCCC1 61904603 IQXVRDZWHOYUSJ-XMMPIXPASA-N 422.573 4.159 0 3 HIAF COc1ccc(NC(=O)[C@@H](C2CC2)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 95565119 MIRJTHXBAQJUGP-JOCHJYFZSA-N 415.449 4.255 0 3 HIAF CCCCC(=O)O[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 27981075 DFJYFYDMJKZJIN-SYJHXPDWSA-N 404.547 4.340 0 1 HIAF CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1CC(F)C1)c1ccccc1 28953429 LKGCROMJAWADLL-QHCPKHFHSA-N 415.459 4.102 0 1 HIAF O=C1Nc2ccc(Cl)cc2[C@@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 45283987 UYWRUEVDNQJADG-INIZCTEOSA-N 402.731 4.229 0 1 HIAF O=C(O)c1cn(Cc2ccc(-n3ccc4cccnc43)cc2)c2cccc(F)c2c1=O 45385402 PJZOOOKNJDAMJH-UHFFFAOYSA-N 413.408 4.226 0 1 HIAF O=C(O)C1CN(Cc2ccc(-c3cn4cc(Cc5ccccc5)ccc4n3)c(F)c2)C1 66097492 DHQQGNKTBJDFDD-UHFFFAOYSA-N 415.468 4.248 0 1 HIAF Cc1c(Sc2ccc(Cl)cc2)c2c(S(C)(=O)=O)cccc2n1CC(=O)O 73162771 SUEIBJUAZVZPQG-UHFFFAOYSA-N 409.916 4.242 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3[C@H]4C[C@H]4[C@@H](C2)N3C(=O)OC(C)C)c1C 101417706 FWAAPZFDGYIRMI-RHQZKXFESA-N 424.501 4.056 0 1 HIAF O=C(Nc1ccncc1Br)c1cn(-c2ccccc2)nc1C(F)(F)F 103183456 DAAFHSRCJDWLAS-UHFFFAOYSA-N 411.181 4.301 0 1 HIAF 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](C(=O)O)[C@@H]3C(=O)O 169348208 PXYRCOIAFZBLBN-WZGHNBHSSA-N 418.530 4.298 0 1 HIAF COc1ccc(-c2cncc(NS(=O)(=O)c3cc(Cl)ccc3OC)c2)cc1 220912461 GSJUYLFAODJCMV-UHFFFAOYSA-N 404.875 4.220 0 1 HIAF N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccncc1 223673862 KNTCVUHFKDZJSC-KRWDZBQOSA-N 416.554 4.009 0 1 HIAF Nc1nccc(-c2cn(S(=O)(=O)c3ccc4ccccc4c3)c3ccccc23)n1 299852493 SWDDKROTGCZKPL-UHFFFAOYSA-N 400.463 4.071 0 1 HIAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 586922875 UQNFHPKHXSRYPV-UHFFFAOYSA-N 407.333 4.327 0 1 HIAF Brc1cnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 586999214 WBHCCEZTOYNHKJ-OWOJBTEDSA-N 423.064 4.382 0 1 HIAF O=C(NCc1nc2cc(Cl)cc(Br)c2[nH]1)c1cc2c(s1)CCC2 587035260 QTQANVPZGXZVPL-UHFFFAOYSA-N 410.724 4.459 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3cccnc3NCc3ccccc3)nc-2[nH]1 587229943 NBFWUMVAQYBKIA-UHFFFAOYSA-N 423.480 4.296 0 1 HIAF O=C(c1cc(Cl)nc(Cl)c1)c1c(CO)oc2cc(Br)cnc12 587275506 CHQVLGINIJDRFH-UHFFFAOYSA-N 402.031 4.015 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccc(-c2ccco2)n1 587656751 MOBVVUVVXJRKEL-UHFFFAOYSA-N 402.360 4.381 0 1 HIAF COc1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587745555 WNYDIQLUGDTJIW-FKIZINRSSA-N 421.310 4.375 0 1 HIAF CC[C@@]1(c2ccc(OCC(=O)O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790294 FMEYKLMDDSDENI-YUNKPMOVSA-N 422.294 4.239 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cnccn3)s2)N1 587856769 XYZXOXYCMABJDS-FVMDXXJSSA-N 405.296 4.125 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(C)(OCC)OCC 587864472 KHMZVMANASQJQV-UHFFFAOYSA-N 400.397 4.397 0 1 HIAF CS(=O)(=O)c1ccc(C2=NN(c3ccc(C(=O)O)cc3)[C@H](c3ccccc3)C2)cc1 653760646 LBERFMPVPIOEOU-QFIPXVFZSA-N 420.490 4.144 0 1 HIAF C[C@@]1(Cc2c[nH]c3ccccc23)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962690497 AWWAKTXJZDIYSU-QUCCMNQESA-N 406.379 4.383 0 1 HIAF CCOc1ccc([C@]2(c3ccc(Cl)nc3)NCCc3c2c(C(C)C)nn3C)cc1 962917172 LMRIJVSUVROFCR-HSZRJFAPSA-N 410.949 4.428 0 1 HIAF CCc1cnc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)s1 963140974 NZXKVCBKWCVRQB-NRFANRHFSA-N 423.538 4.093 0 1 HIAF O=C(NCc1ccccc1)C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1 1772614141 GHGUTJJZGLZDNJ-UHFFFAOYSA-N 424.451 4.080 0 1 HIAF N[C@H]1CCC[C@@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc(C(F)(F)F)c4)c3c2)C1 1857636404 OUBOVCLEIUTKRN-OCCSQVGLSA-N 417.435 4.203 0 1 HIAF COc1ccc(OC)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1 1911579051 HIFBGTFGKLYOST-UHFFFAOYSA-N 412.530 4.424 0 1 HIAF C=CC(=O)NCCOc1cccc2[nH]c(-c3n[nH]c4cc(C(F)(F)F)ccc34)cc12 1911585543 DIFVCCVZXOTBCK-UHFFFAOYSA-N 414.387 4.411 0 1 HIAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(C(C)C)cc1 4049129 BUHLZPDPKUMJCR-ISKFKSNPSA-N 407.558 4.360 0 1 HIAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4213288 VJXQRQLJWUWQOV-BULFRSBZSA-N 403.567 4.166 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C(=O)[C@@H](C)[C@@H](C)C2 14692474 FLYXTLCSEZIBJX-RYUDHWBXSA-N 416.470 4.113 0 1 HIAF biogenic CCOc1cc2ccc(OCCN3c4ccccc4O[C@H]4C=CC=C[C@H]43)cc2oc1=O 26573698 FEPUJWTXMSFRJK-CTNGQTDRSA-N 417.461 4.333 0 1 HIAF CC(=O)OC[C@@]1(c2ccccc2)C[C@H]1CN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C 27550950 OHPDVFPNOSPJJV-YJIVHAETSA-N 419.565 4.437 0 1 HIAF O=c1[nH]c2ccccc2n1CCCN1CCC(c2noc3cc(Cl)ccc23)CC1 27867672 BJAQULLNLRKQNH-UHFFFAOYSA-N 410.905 4.394 0 1 HIAF CCOC[C@@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28528435 XISSKUCOTAAYKE-QFIPXVFZSA-N 423.532 4.460 0 1 HIAF NC(=O)c1ccc(-c2ccc(Oc3cncc4sc(-c5nnn[nH]5)cc34)cc2)cc1 40950733 NCPSMBVBKJXJPP-UHFFFAOYSA-N 414.450 4.035 0 1 HIAF Cc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)c3ccc4c(C)n[nH]c4c3)CC1)O2 49068843 LWHDVQPWMFTFDD-UHFFFAOYSA-N 403.482 4.128 0 1 HIAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccncc12 58494413 RPUBLKXADWXFEL-GOSISDBHSA-N 409.493 4.043 0 1 HIAF Cc1c(C)n(C)c2c(Cn3c(=O)n(CCC(=O)O)c4ccccc43)c(Cl)ccc12 72176276 UJHRTHARCWKXDA-UHFFFAOYSA-N 411.889 4.088 0 1 HIAF O=C(NCCC1=CCCCC1)[C@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085244 MROFPEDKZANWOZ-HXUWFJFHSA-N 424.570 4.498 0 1 HIAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NCc3ccc(C)cc3)c2cc1OC 82131024 JCYAELWWRUMGKU-KRWDZBQOSA-N 408.502 4.158 0 1 HIAF COc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H](CC(C)C)C(N)=O)cc1F 95556110 PXLOWDQZRBSGHT-GOSISDBHSA-N 406.885 4.030 0 1 HIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CCOc4cc(C(F)(F)F)ccc43)cc21 143470819 LSXHKLWEFFPLAQ-MRXNPFEDSA-N 419.403 4.260 0 1 HIAF c1cc(-c2ccncc2)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nn2c1 147144993 QLCNBEZQPPWABN-UHFFFAOYSA-N 400.486 4.010 0 1 HIAF CC[C@@H](C)C(=O)O[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 203194254 PCZOHLXUXFIOCF-PWEUQXSQSA-N 404.547 4.196 0 1 HIAF O=C(O)[C@@H](CC(=O)C1(S)Cc2ccccc2C1)Cc1ccc(Br)cc1 219763572 SDLXIQOVPDXHPJ-MRXNPFEDSA-N 419.340 4.119 0 1 HIAF CC[C@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@H](O)C/C=C/C=C\C(=O)O1 238739661 PNIHJNURJFVDOY-PULZRIITSA-N 416.558 4.082 0 1 HIAF CO[C@]1([C@@H]2CSC(=O)N2C)C[C@H]2C[C@@H](CC[C@H](C)C=CCCC(C)=CC(=O)O2)O1 254058080 ZBEGSVSIVKRYDW-SDLUEBNPSA-N 423.575 4.300 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2cccc(F)c2)cc1 299862436 JQLKYNCPHUMKRM-FYYLOGMGSA-N 421.497 4.001 0 1 HIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Br)cc3[nH]2)c1 586929949 DQNLPFVARCSTQE-UHFFFAOYSA-N 408.321 4.023 0 1 HIAF Cc1c(Cl)ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586951810 AHPWRVIAIVEZQE-UHFFFAOYSA-N 404.904 4.449 0 1 HIAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc3ncccc3c2[nH]1 586980473 RWFYVJFSZBLDTB-UHFFFAOYSA-N 412.243 4.274 0 1 HIAF Cc1ccc2c(ccc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c32)n1 587114339 RJOBJVJXVAEDHF-UHFFFAOYSA-N 409.375 4.140 0 1 HIAF Cc1cc(-c2nc3c(ccc4ncccc43)[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124655 KUCRAUZDNOGTIX-UHFFFAOYSA-N 406.389 4.348 0 1 HIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(Br)ccnc3[nH]2)c1 587200787 OVTSOCVHMRHSDA-UHFFFAOYSA-N 416.279 4.237 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cc(F)c(F)c(F)c1)CC2=O 587464844 BDYNDAIKUPWOIL-NRFANRHFSA-N 408.372 4.186 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)c(F)c1 587554624 LPMFLYIQKWAYHN-OFNKIYASSA-N 402.381 4.420 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCN(Cc2cccnc2)CC1 587583788 UWVKUDYDKCUJNA-RDGATRHJSA-N 416.477 4.030 0 1 HIAF CCOc1ccc(-c2nn(C(=O)c3cncs3)c(=O)c3ccccc23)cc1OCC 587670542 LJXPJFAQXIQEOH-UHFFFAOYSA-N 421.478 4.006 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cn2)N1 587683587 OCPVQFQULLIAPB-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(cc2Cl)OCCO3)N1 587695959 KFZHCUSXKQNGAK-ZKANADHPSA-N 413.674 4.031 0 1 HIAF Cc1nn(C)c(C)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587703804 GYCAZCARUFAXJY-PWJLMRLQSA-N 420.248 4.279 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCN(C)C)cc2)N1 587742492 RTXYHRGLELERBG-QKKBWIMNSA-N 421.354 4.326 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)NC(=O)OC(C)(C)C)N1 587756665 RVWDKGDRCKEAJT-BONVTDFDSA-N 401.320 4.467 0 1 HIAF O=C(NC(=O)c1c(O)cccc1O)N[C@H]1c2ccccc2-c2cc3ccccc3cc21 653794399 IKLAEXJHOQNOLV-QHCPKHFHSA-N 410.429 4.460 0 1 HIAF CCOc1ccc(NC(=O)C[C@]2(C)NCCc3cnc4c(OC)cccc4c32)cc1 963054444 HGQDWGCXINPXAL-DEOSSOPVSA-N 405.498 4.032 0 1 HIAF COc1cccc(Cn2c3ccc(NC(=O)CC4CCCCC4)cc3c(=O)n2C)c1 1857582774 RKOHSKYECPOGTP-UHFFFAOYSA-N 407.514 4.306 0 1 HIAF CCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2ccc(F)cc2s1 4359451 HRMUCLFPHUEVOX-UHFFFAOYSA-N 401.507 4.433 0 3 HIAF CSc1ccccc1C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 14972523 VVLMNCCNSFABOC-UHFFFAOYSA-N 400.548 4.067 0 3 HIAF CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2C(=O)c2ccccc2Cl)C1 13442684 ZSSPBWZPMOKGRJ-UHFFFAOYSA-N 404.919 4.132 0 1 HIAF CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc21 13642797 XZZRFNJYLXJJCG-UHFFFAOYSA-N 423.926 4.039 0 1 HIAF COc1ccccc1[C@H]1Oc2cccc(OC)c2-c2ccc(NS(C)(=O)=O)cc21 26189411 CSXWYBLZLIWXQQ-JOCHJYFZSA-N 411.479 4.224 0 1 HIAF CCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCO)c1=O 29203090 AXRDSNPIJLNNGC-UHFFFAOYSA-N 417.292 4.469 0 1 HIAF CC(=O)c1cccc2c(Cl)c(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)[nH]c12 40410099 JGHFXJQZZCCIIL-UHFFFAOYSA-N 413.880 4.121 0 1 HIAF CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@@H]12 45334584 LAAZEJPVRHNOIV-NBJYBMASSA-N 417.962 4.155 0 1 HIAF Fc1ccccc1CCNc1ncnc2c1nc(-c1ccccc1)n2C[C@H]1CCCO1 82180558 BIXIQYYGCSOJFD-LJQANCHMSA-N 417.488 4.466 0 1 HIAF COc1ccc(CSc2nc(O)c(C)c(C(=O)c3cc(F)cc(F)c3)n2)cc1 96940099 MRLRFKIRQSRWGF-UHFFFAOYSA-N 402.422 4.301 0 1 HIAF COC(=O)c1ccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)cc1 101074909 DACJIZWPPZAZDB-UHFFFAOYSA-N 407.491 4.066 0 1 HIAF COc1ccnc(OC)c1[C@H]1CCCC(=O)N1Cc1csc(-c2ccccc2)n1 103258860 GEPYVZASDQMGCC-QGZVFWFLSA-N 409.511 4.476 0 1 HIAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCCO4)n3)c(Cl)cn2)CC1 261112128 IFQXFKKTDOBYBO-BZUAXINKSA-N 402.926 4.103 0 1 HIAF Nc1ccc(-c2ccc3nc([C@H](N)Cc4cccc(Br)c4)[nH]c3c2)cc1N 586983923 LIEBCRADCAZKKN-GOSISDBHSA-N 422.330 4.399 0 1 HIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1cccnc1Cl 586985349 CIGXYEKOZATDBO-UHFFFAOYSA-N 415.836 4.381 0 1 HIAF CCOc1cc2oc(=O)c(-c3nc4c(O)cccc4[nH]3)cc2cc1Br 587000600 RLFFEQHYLKBOFQ-UHFFFAOYSA-N 401.216 4.203 0 1 HIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)c(F)ccc2[nH]1 587038867 NBRZPFMDKLNKPW-UHFFFAOYSA-N 414.260 4.330 0 1 HIAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4ncnc(Cl)c4[nH]3)n2n1 587119828 HKGZTCCVLZWTSO-UHFFFAOYSA-N 415.766 4.402 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587443885 QKGAIPCJWDXHOT-CYFREDJKSA-N 416.429 4.461 0 1 HIAF Cn1ccnc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567322 GLLPVYUFCXQDTD-YKSBVNFPSA-N 416.408 4.170 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1ccnc1)c1ccc(F)cc1 587570028 JYKKRFSNCLWTFK-QPPBQGQZSA-N 416.408 4.285 0 1 HIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(C)=O 587590766 DOJNCSLNMIUIIE-XUZZJYLKSA-N 420.417 4.203 0 1 HIAF CCOc1ccc(-c2nn(-c3ccnc(F)c3)c(=O)c3ccccc23)cc1OCC 587668693 BNUKYFIUKHUAIP-UHFFFAOYSA-N 405.429 4.384 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587847307 TZTNLTDLAOGLPR-DGIBIBHMSA-N 421.335 4.430 0 1 HIAF Cc1ccc(N2CCC(NCCc3ncnn3C)CC2)cc1-c1cc2ccccc2[nH]1 618009467 SBDKQFWGKAFDED-UHFFFAOYSA-N 414.557 4.073 0 1 HIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cscc2Br)N1 962962830 HSVUDIGVXIQMMD-ZWNOBZJWSA-N 408.651 4.131 0 1 HIAF Cc1noc(C)c1-c1ccc(C(=O)O)c(NC(=O)COc2ccccc2Cl)c1 1857608976 LSTPBCUWOCHEMX-UHFFFAOYSA-N 400.818 4.328 0 1 HIAF CCCC[C@@H](CC)C(=O)OC[C@]1(CO)CC(=Cc2ccc(Cl)c(F)c2)C(=O)O1 1857624408 ZNLUECRWFKKEBI-QVKFZJNVSA-N 412.885 4.300 0 1 HIAF O=C(NCCCc1ccccc1)[C@@H]1CCC2=Nc3ccc(Br)cc3CN21 1857769234 DVHIHSWKQUMWTD-IBGZPJMESA-N 412.331 4.206 0 1 HIAF CCCCOCCOc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(CO)C3)cc1CC2 1857775097 FCSXBFWNPGQQMB-FDDCHVKYSA-N 416.587 4.062 0 1 HIAF CCCCCC(=O)N1CC[C@](C)(O)[C@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 2356316067 AVANJSDPIYIGCC-VWPQPMDRSA-N 408.608 4.274 0 1 HIAF O=C1[C@H](Cc2ccccc2)Nc2ncnc(N3CCCCC3)c2N1Cc1ccccc1 61959540 CHVXMOCPHNPHHV-NRFANRHFSA-N 413.525 4.037 0 3 HIAF CCCCNC(=O)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(C)=O 103048722 HLUVTNGAVGOMQG-HXUWFJFHSA-N 417.431 4.478 0 3 HIAF O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 4208439 MTLMAUYBFGHICD-CTNGQTDRSA-N 410.857 4.220 0 1 HIAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc(OC)c(CC=C(C)C)c3O[C@H]1CO2 6186066 QADCCYSYLNTZHV-VXKWHMMOSA-N 410.466 4.341 0 1 HIAF biogenic COc1cccc([C@@H]2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1 26179058 HZZKKMSFRUPAOX-QFIPXVFZSA-N 411.479 4.224 0 1 HIAF CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCc2cccs2)CC1 28085740 KSONHIGERUXVAR-UHFFFAOYSA-N 414.571 4.132 0 1 HIAF CCc1c(C)[nH]c(=O)c(NC(=S)NC(=O)c2ccccc2)c1Cc1cccc(C)c1 28106555 CUZIGCVGUJHORN-UHFFFAOYSA-N 419.550 4.272 0 1 HIAF CCCOc1ccc2ccc(=O)oc2c1CN1CCN(C/C=C/c2ccccc2)CC1 29062058 NJQFDKSOXLPJOL-RMKNXTFCSA-N 418.537 4.413 0 1 HIAF C=CCN(C)C(=O)[C@H](C)[C@@H]1CCc2c(C)cc(OCc3cccnc3)c(C)c2[C@H]1O 36355979 HOPOLERVNDRNAI-GQOCTPOGSA-N 408.542 4.154 0 1 HIAF biogenic C[C@H]1CN(c2nnc(-c3ccncc3)c3ccccc23)CCN1C(=O)c1ccccc1 49036387 MQYNXJPLIZPLLU-SFHVURJKSA-N 409.493 4.043 0 1 HIAF CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3Br)N2C1=O 49115152 CPHUMYXSRBIEDQ-HKUYNNGSSA-N 424.298 4.229 0 1 HIAF O[C@@H]1CCCC[C@@H]1N1CCC(CCCC2CCN([C@H]3CCCC[C@H]3O)CC2)CC1 58485861 OTKJKWJZVZDXKV-CXSMSNRLSA-N 406.655 4.188 0 1 HIAF CN[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC[C@@H](O)CNC(C)(C)C)ccc4[C@H]3CC[C@]12C 66065855 DLVAQEYQVGVGRK-RYZVYYIHSA-N 414.634 4.259 0 1 HIAF COCCn1c(CCc2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179303 LXBYRNOHCPMGRM-UHFFFAOYSA-N 401.514 4.178 0 1 HIAF CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 100979853 OWBWYJOKGKPNOZ-KBPBESRZSA-N 403.832 4.412 0 1 HIAF CN(c1ccc(-c2cc(F)cc(F)c2)cn1)C(=O)[C@H]1CC[C@@H](N2CCCC2=O)CC1 103254446 SHHLAOFRYFMPJR-SGNKCFNYSA-N 413.468 4.171 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCCOC4)n3)c(Cl)cn2)CC1 169703705 NDOZPWULCVWYRD-ZACQAIPSSA-N 415.969 4.317 0 1 HIAF O=C(c1cnccn1)N1CCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C1 206181575 LRPXFCIACYZBAP-UHFFFAOYSA-N 415.371 4.077 0 1 HIAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cncc3ccccc23)cc1 225938032 XWGXNFFDZANTDO-KPKJPENVSA-N 415.474 4.115 0 1 HIAF O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCCCC3)cc1)CC2 299871648 YZKFVNJEUKPDEX-UHFFFAOYSA-N 424.976 4.499 0 1 HIAF CCCCOc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Br 586924265 NMKZNBGRAJABCZ-UHFFFAOYSA-N 415.353 4.362 0 1 HIAF N[C@H](N=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586961925 ZDVIOKCCSJSVPY-MNNSJKJDSA-N 404.495 4.325 0 1 HIAF CC(=O)N[C@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(C)cc1 587206244 LDIPBSJSFZOARN-CYBMUJFWSA-N 408.246 4.332 0 1 HIAF CC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 587239293 JCJCLNBCCOZZTP-FMKFIRIRSA-N 413.518 4.321 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)[C@@H](C2)C3=O 587435013 CTTLSRNQVNJHSW-MFEFFIJZSA-N 401.503 4.237 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(n1)OCCN3C(=O)C(C)(C)C)CC2=O 587473621 AEBUWWVNBUSQJR-FQEVSTJZSA-N 424.497 4.218 0 1 HIAF O=C1CC2(CCN([C@H](C(=O)O)c3ccc(F)cc3)CC2)Oc2c1ccc1c2CCCC1 587505382 ILZIIZVMIVTDJN-QFIPXVFZSA-N 423.484 4.330 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C(=O)C2)N1 587767648 JOTNCJXYSCZYAZ-LHSJRXKWSA-N 417.322 4.140 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587808104 NMKOIVNJTGFOSM-PRWKNARSSA-N 406.295 4.329 0 1 HIAF COC(=O)[C@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587809154 QXNFEJHBKYSBOS-ZUOKHONESA-N 406.295 4.124 0 1 HIAF COc1ccc2c(c1)[C@H](c1cc(C)cc(CN3CCN(C)CC3)c1C)N(C(C)C)CC2 962095312 YJWASWNUZJLRIF-MHZLTWQESA-N 421.629 4.415 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@]1(CC(C)(C)C2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730525 NWDGJWLKGATXJA-SPLOXXLWSA-N 421.415 4.148 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)[C@@H](N=O)[C@H](C)N=O 963842214 VTHYZNWTHBNTFL-JDCXVWCVSA-N 419.478 4.137 0 1 HIAF COc1cc(OC)c(-c2cn3ccc(N4CCCC4)cc3n2)cc1Br 1857592611 MUHUSXLJPGOQON-UHFFFAOYSA-N 402.292 4.381 0 1 HIAF CC1=C[C@H](CN2CCC(CO)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356300684 LVCGIHKLZJSKIK-YTFSRNRJSA-N 424.589 4.233 0 1 HIAF CC[C@H](O)CC[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 2356677776 IEUNGVZFLKERGL-IBNVEZSQSA-N 422.650 4.135 0 1 HIAF O=C1NC[C@@H](Cc2cccc3ccccc23)N(CCC23CC4CC(CC(C4)C2)C3)C1=O 12726277 HPUYBKUUPZXICI-ZCUVORPTSA-N 416.565 4.316 0 3 HIAF O=C(NCc1ccccc1)c1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2)on1 61907967 KMNABKQSJYSMAD-QFIPXVFZSA-N 417.509 4.291 0 3 HIAF COc1ccc(CC(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)cc1 2724527 WJKYEQKFXWTSHB-XMMPIXPASA-N 420.896 4.461 0 1 HIAF CCN(CC)CCCNC(=O)c1sc2ncnc(N(C)c3ccccc3)c2c1C 2926877 NIOJQJSYMXCLDT-UHFFFAOYSA-N 411.575 4.229 0 1 HIAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 4205840 CRKLOCGSQWRXNQ-JTHBVZDNSA-N 420.896 4.207 0 1 HIAF Cc1ccccc1-c1nc(CN2CCC[C@H](C(=O)NCCCOC(C)C)C2)c(C)o1 5055811 OFCGVFKKGAQHMS-FQEVSTJZSA-N 413.562 4.102 0 1 HIAF O=C(CCCCCN1CCN(c2ccccc2O)CC1)N[C@@H]1CCCc2ccccc21 13586569 JYEKEEYIUIJIPG-HSZRJFAPSA-N 421.585 4.268 0 1 HIAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(C(F)(F)F)cc1 13601634 HMFUVLYLTGOWME-FQEVSTJZSA-N 423.394 4.251 0 1 HIAF CN(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 13782304 SCPDBFOEQCPCKE-UHFFFAOYSA-N 421.372 4.096 0 1 HIAF C[C@H]([C@@H]1C[C@H]1C(=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 43640884 SPBCVLSZAPVLJN-SJVYPUOSSA-N 404.591 4.334 0 1 HIAF COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@H]3NC(=S)NC(=S)[C@H]23)cc1 64447363 AXYTWSCYIWVQDK-DFQSSKMNSA-N 406.532 4.120 0 1 HIAF COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 95894453 FCPFORCSARIMBM-WMTXJRDZSA-N 421.541 4.066 0 1 HIAF COCO[C@@H](c1ccc(Br)cc1)[C@H](Cn1ccnn1)c1ccccc1 96286435 KBPPMMMKJPYVTI-MOPGFXCFSA-N 402.292 4.186 0 1 HIAF Cc1ccc(NC(=O)C(=O)NC2CC3(CCCCC3)NC3(CCCCC3)C2)cc1F 96915536 SPKOFAQVXGNNHO-UHFFFAOYSA-N 415.553 4.347 0 1 HIAF O=C(O)c1ccc(O)c2ncc(NC[C@@H]3CCCN(CCc4ccccc4)C3)cc12 169304005 STURGKBQRGOQJC-SFHVURJKSA-N 405.498 4.005 0 1 HIAF c1ccc2c(c1)OC[C@@H](COCCCN1CCC(c3nc4ccccc4o3)CC1)O2 169312206 MLCBXCPVXXUVAC-LJQANCHMSA-N 408.498 4.254 0 1 HIAF COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OC[C@@H](O)CO)cc1 169324226 YDDPQONJKPRFEC-NZJKTDFXSA-N 404.506 4.289 0 1 HIAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 169351825 WBNFYIUKDYXVGC-UHFFFAOYSA-N 407.514 4.404 0 1 HIAF COc1cc(Nc2nc3cc(-c4nn[nH]n4)ccc3c3sccc23)cc(OC)c1 199792379 MNPJSRVNVVXGRC-UHFFFAOYSA-N 404.455 4.390 0 1 HIAF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCCC[C@@H]2C)cn1 207666905 STLVAHIPHWAEBN-SCLBCKFNSA-N 407.345 4.437 0 1 HIAF Cc1cccc(C)c1-c1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O 209704982 IODQTMWXBBSXOO-HXUWFJFHSA-N 402.494 4.308 0 1 HIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587035157 PAUQCADDDAEOTO-INIZCTEOSA-N 417.498 4.025 0 1 HIAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3ccccc3cc2[nH]1 587128610 NMDANMFYEFYXTQ-UHFFFAOYSA-N 411.387 4.140 0 1 HIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(F)cc(F)cc2[nH]1 587181209 OOBIWYICWQCZRP-ZETCQYMHSA-N 402.186 4.280 0 1 HIAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc3c(c2[nH]1)CCCC3 587183427 YCWRNWSPLDTVSE-NSHDSACASA-N 406.271 4.161 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(Br)cc1C)O2 587375949 FWACDYXHBWBKDP-HXUWFJFHSA-N 418.287 4.374 0 1 HIAF COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587399198 JMVBFFNMSZSKAZ-DXMSMQRWSA-N 409.482 4.338 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(Cl)cc2)n1 587552395 RBUVUUULJVOWET-SIKLNZKXSA-N 419.824 4.329 0 1 HIAF O=Cc1ccnc(-c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccn2)c1 587588829 SLTXUHBMAOFFIA-WIOPSUGQSA-N 424.412 4.365 0 1 HIAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1OC 587589816 AMVYUDDVKSTMRJ-JPYJTQIMSA-N 408.406 4.126 0 1 HIAF C[C@@]1(CCc2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608422 KWWVBIBJDDKPMA-URXFXBBRSA-N 404.418 4.474 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Br)s1 587615042 VDTNAJVGFHXRJZ-CZUORRHYSA-N 404.241 4.314 0 1 HIAF COc1ccc([C@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587697834 UNFLTGSANGXQRT-MGNBDDOMSA-N 414.702 4.020 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(Cl)cc3)nn2)N1 587702815 WSEDOCBWHNZKEK-MLCYQJTMSA-N 421.701 4.446 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CN(C(=O)OC(C)(C)C)C2)N1 587758190 BWZMZKZUIKLPQR-GTNSWQLSSA-N 413.331 4.421 0 1 HIAF COc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1 587777674 ISKIFMGCHLCIKT-DGIBIBHMSA-N 417.278 4.474 0 1 HIAF COC(=O)c1cc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2cc1OC 587782208 IRDFEHHLMPDIET-UHFFFAOYSA-N 404.422 4.310 0 1 HIAF Cc1cccc2c1OC(C(=O)O)=C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587843568 SOYHEWZABFXLSQ-YBTHPKLGSA-N 418.262 4.035 0 1 HIAF COc1ccccc1-c1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O 587936286 BJHGMSZCHRHOLU-UHFFFAOYSA-N 402.406 4.324 0 1 HIAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1c[nH]cc(Br)c1=O 587939290 BLFVSCORUYRKMM-DVOMOZLQSA-N 409.324 4.473 0 1 HIAF O=C(Nc1ccccc1)c1ccc(CNC(=O)c2coc(-c3ccccc3O)n2)cc1 653757073 GUOIZXRZAIQESG-UHFFFAOYSA-N 413.433 4.230 0 1 HIAF CN1C(=O)C[C@@H]2CN[C@](CCCCC(=O)O)(c3ccc(Cl)cc3)c3cccc1c32 963030554 QZHKTWRQVYSSFY-IQMFZBJNSA-N 412.917 4.282 0 1 HIAF COc1ccc2cc([C@H]3NCCc4c(C(=O)O)cccc43)c(N3CCCCC3)nc2c1 963130210 IRHYSKJDGLADEJ-QHCPKHFHSA-N 417.509 4.167 0 1 HIAF C[C@@]1(F)CC(F)(F)[C@@](C)(c2cc(NC(=O)c3nc(CF)co3)ccc2F)NC1=N 1772575756 VXSCRCDTZOWMAO-IAGOWNOFSA-N 416.350 4.085 0 1 HIAF O=C(c1ccccc1OCc1ccccc1)N(Cc1ccccn1)C[C@@H]1CCCO1 201457063 HAXBCDIIDQEHCN-QFIPXVFZSA-N 402.494 4.482 0 3 HIAF O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2)[C@H]1C(=O)c1cc2ccccc2o1 2249349 FTYVNZMAQAGQDZ-ROUUACIJSA-N 402.431 4.045 0 1 HIAF Cc1ccc(F)c(C(=O)c2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)c1 13530452 JEZKTYATNWJQEV-UHFFFAOYSA-N 412.438 4.164 0 1 HIAF O=C(O)C[C@](O)(CSCCCCCCc1ccc(-c2ccccc2)cc1)C(=O)O 13758240 LJAJLOCYYSMBMX-QHCPKHFHSA-N 416.539 4.480 0 1 HIAF CC(=O)O[C@@H](CCCCCCCCCCCO)Cc1cc(O)cc(O)c1C(=O)O 15117878 IBGMKKHYCCQKNX-IBGZPJMESA-N 410.507 4.164 0 1 HIAF biogenic CCCNC(=O)C[C@]1(C)[C@@H](OC(C)=O)CC[C@@H]1[C@H]1CCc2cc(OC)ccc2C1 28366580 QJIFJABLIXCGPV-OHCHIEETSA-N 401.547 4.064 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H](C)N2C[C@@H](c3ccccc3)C[C@@H]2C1 29415311 PKZKDNACFVSZIJ-LAVFITLUSA-N 413.949 4.070 0 1 HIAF Cc1cc(OCCCN2C[C@@H]3CCN[C@@H]3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49036106 GWXYGVYIVWODLJ-HTAPYJJXSA-N 408.521 4.048 0 1 HIAF Cc1cc(SCc2cn(-c3ccc(C(F)(F)F)cc3)nn2)ccc1OCC(=O)O 53294568 XHPQTYAKVAFOLZ-UHFFFAOYSA-N 423.416 4.350 0 1 HIAF O=C(NC1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1ccccc1 72186339 GOEOSMJZWFPGJM-QFIPXVFZSA-N 424.907 4.253 0 1 HIAF CCOC(=O)Cc1nnc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)o1 73165575 ODQMNOLOACRINW-SFHVURJKSA-N 410.861 4.184 0 1 HIAF COc1ncccc1[C@H](OC1CN(C(=O)N2CCCCC2)C1)c1ccc(Cl)cc1 73279812 VDEYZZWPCLNWLU-HXUWFJFHSA-N 415.921 4.140 0 1 HIAF CC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 95559879 QZOOKXDESAXLGB-AYHJJNSGSA-N 408.527 4.115 0 1 HIAF O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc3sccc3c2)n1 96269600 GFTMHUSWBFXXNT-UHFFFAOYSA-N 421.551 4.082 0 1 HIAF O=C(O)Cn1cc(-c2cc(Cl)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144875371 UBYZUQPUPCFGBQ-GOSISDBHSA-N 408.763 4.067 0 1 HIAF C[C@]1(O)CC[C@H](Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1 144958653 DRKBDDUOHKJNIP-QUWSVYMGSA-N 406.408 4.400 0 1 HIAF O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CCOCC1 145504634 NHEZKTVROFXMMG-IBGZPJMESA-N 422.506 4.474 0 1 HIAF O=C1CCc2ccc(OCCCCCN3CCOCC3)cc2N1Cc1ccccc1 169308730 VIMZRDNPELKHJO-UHFFFAOYSA-N 408.542 4.047 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@@H]2CCCC[C@@H]21 587028213 WQQKAIYMOPQDME-IHRRRGAJSA-N 401.923 4.143 0 1 HIAF O=c1cccc(-c2nc3c(F)cc(F)cc3[nH]2)n1CCOc1ccccc1Cl 587063966 GTMOZWIPGGFCHO-UHFFFAOYSA-N 401.800 4.402 0 1 HIAF CC(C)(C)OC(=O)NCC(=O)CCc1cnc2cccc3c2c1-c1ccccc1C3=O 587104540 RKIMHTNYIXSJTQ-UHFFFAOYSA-N 416.477 4.473 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587148687 DFWCDZBIWZSXKR-OAQYLSRUSA-N 424.501 4.154 0 1 HIAF Cc1cc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c(C)n1 587156982 FTUBKDZLJLVQAY-UHFFFAOYSA-N 416.254 4.312 0 1 HIAF COc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1F 587167297 LVCYUYMKYFQYSC-UHFFFAOYSA-N 421.450 4.379 0 1 HIAF CC(C)[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587197624 KYMJEHGLDIBQTH-FQEVSTJZSA-N 408.502 4.230 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC1CCN(C(=O)OCc3ccccc3)CC1)O2 587393362 HDTULCNDSRWDLJ-LJQANCHMSA-N 408.498 4.350 0 1 HIAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2ncnc(Cl)c21 587551917 LDJYWCDWRDCYKU-OXQOHEQNSA-N 407.813 4.030 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1-c1ccc(F)cc1 587569958 JPAHSNHHHQSBBP-NZQKXSOJSA-N 402.381 4.420 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)C1CCOCC1 587585935 ISHXYAGYACVKQZ-QPPBQGQZSA-N 403.434 4.071 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593125 CKDGLPMFEPITSO-OFVILXPXSA-N 418.445 4.429 0 1 HIAF CCOP(=O)(C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC 587608694 RVSMZSKBTFMGRQ-YLJYHZDGSA-N 406.371 4.379 0 1 HIAF CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615693 HCBUMWNKRKULLI-QRJOEMBSSA-N 418.445 4.437 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(cc2Cl)OCCO3)N1 587702419 ZIGPPFCNHOQWKT-VXJOIVPMSA-N 413.674 4.031 0 1 HIAF CCOC(=O)[C@@H]1CCSCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587856032 HSQIBMWEVVLYNN-SUFBMKPHSA-N 416.356 4.024 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(C(F)F)n1 587864523 IVIWZXLKMNODDI-UHFFFAOYSA-N 400.307 4.248 0 1 HIAF O=C(c1ccnn1COc1ccc(Cl)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874392 YNVVJDZAPVQEBL-UHFFFAOYSA-N 410.792 4.370 0 1 HIAF CC(C)(C)c1ccc(-c2cc(O)n(-c3c[nH]cc(Br)c3=O)c2O)cc1 587940763 MRMYUKIIMBZTPV-UHFFFAOYSA-N 403.276 4.304 0 1 HIAF Nc1c(C(=O)c2ccc(F)cc2)sc2nsc(SCCN3CCCC3)c12 957653529 VQMSNFXKISBBHA-UHFFFAOYSA-N 407.561 4.498 0 1 HIAF CCOC(=O)CC[C@]1(c2ccc(CN3CCC3)cc2)NCCc2cc(C)c(F)cc21 962095297 WQCRHSCHQZJVQY-RUZDIDTESA-N 410.533 4.072 0 1 HIAF Cc1cc(C)cc([C@@]2(CCCC(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962727816 BASIIPMBLDOIDE-DENIHFKCSA-N 419.443 4.448 0 1 HIAF COc1ccc([C@]2(c3c(N)sc4c3CCC4)NCCc3c2c(C(C)C)nn3C)cc1 962919606 LKZBAIQLXFRGIF-XMMPIXPASA-N 422.598 4.122 0 1 HIAF Cc1cc(O[C@H](C)[C@]2(C)NCCc3c(C(=O)O)cccc32)c2c(C)c(C)c(=O)oc2c1 963121121 JDNORXZWHACGNW-CPJLOUKISA-N 421.493 4.245 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@]21CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 963258555 OCRMGUQNALIKTM-UNMCSNQZSA-N 419.974 4.415 0 1 HIAF Cc1ccc(N(C)c2ccc([C@H]3N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)cc2)cc1 963521833 CLTUXSFZGIXQHQ-LADGPHEKSA-N 402.494 4.465 0 1 HIAF CCCc1nc2ccc(C)cn2c1C(=O)NCCOc1ccc(Br)cc1 1857567915 MODDMIZCVGATAM-UHFFFAOYSA-N 416.319 4.167 0 1 HIAF O=C1Nc2ccc(C(=O)c3ccco3)cc2/C1=C/c1ccc(Br)c(O)c1 1857591411 HPAYWIYFTJGCBI-ZSOIEALJSA-N 410.223 4.471 0 1 HIAF NCc1cc(=O)c2cccc(OCc3cccc(C(=O)Nc4ccccc4)c3)c2o1 1857605392 FYQPOVZJFRWCGR-UHFFFAOYSA-N 400.434 4.083 0 1 HIAF CCNC(=O)c1cccc([C@@](O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1 1857615421 FBHLLFHULGJEOS-DEOSSOPVSA-N 419.912 4.261 0 1 HIAF Cn1cc(-c2ccc(C(F)F)cc2)c2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc21 1857767977 ZDFIRHIJKVNVDY-UHFFFAOYSA-N 422.428 4.144 0 1 HIAF CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)C[C@H](OC(C)=O)CC(C)(C)[C@@H]3CC[C@@]2(C)[C@H]2[C@@H](CO)[C@@]12C 2356441096 FPQQEIMHYJQCSQ-DFYMXRLCSA-N 420.590 4.357 0 1 HIAF CSCCCN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 12586055 ISGHOICKYGSFAC-UHFFFAOYSA-N 400.592 4.235 0 3 HIAF CCCCNC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)NCCCC 13660845 SGJRYCIKRIRQHA-UHFFFAOYSA-N 407.511 4.166 0 3 HIAF CC(C)NC(=O)c1c(CSc2ccccc2)noc1C(=O)NCc1ccccc1 13660884 QSWFVCDBEFNMMH-UHFFFAOYSA-N 409.511 4.035 0 3 HIAF COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1 61923647 PHIKEKWKBPYBRF-SGNDLWITSA-N 410.562 4.093 0 3 HIAF COC(=O)C1=C(C)N(C)C(NCc2cccc(C(F)(F)F)c2)=N[C@@H]1c1ccccc1 199730833 JICXUEOASLTQLY-LJQANCHMSA-N 417.431 4.285 0 3 HIAF CS(=O)(=O)Nc1ccc(CCN(CCOc2ccccc2)Cc2ccccc2)cc1 26275355 YVPMICFGEAQGJL-UHFFFAOYSA-N 424.566 4.182 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@]12C 26387049 WNENMRZSIGSSCW-IDLYQAFWSA-N 400.607 4.190 0 1 HIAF Cc1cc(C)cc(N2CNC(=O)C23CCN([C@@H]2Cc4cccc5cccc2c45)CC3)c1 26396678 DVLYTSGCKYQCED-XMMPIXPASA-N 411.549 4.482 0 1 HIAF COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2C[C@@H]1c1ccccc1 26815636 YNZFNGNFBKOQRH-BWKNWUBXSA-N 419.521 4.460 0 1 HIAF C[C@@]1(C2CCCC2)Cc2cc(OCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O 28128950 UOJKSVVDYDTODM-IBGZPJMESA-N 409.317 4.453 0 1 HIAF CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc(C)c(Cl)c3)n2)c1 35848683 BHYASVJYBYOTBO-UHFFFAOYSA-N 415.856 4.190 0 1 HIAF O=S1(=O)N=C(NC2(c3cccc(Cl)c3)CCC2)Nc2cc(Cl)sc21 38209643 DSCJXNXUTREXCL-UHFFFAOYSA-N 402.328 4.194 0 1 HIAF O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCCCC1 45336897 JXYSPBRONNKZJB-UHFFFAOYSA-N 422.287 4.290 0 1 HIAF CCC[C@@H](Oc1cnn(-c2ccc(C)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 73240587 XXMYSVUWQYCGOX-JOCHJYFZSA-N 421.497 4.305 0 1 HIAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)NCC4CCCCC4)C3)co2)cc1 82069344 TVEAOUHSIIVITM-FQEVSTJZSA-N 409.530 4.199 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)NCC(=O)N3CCCCC3)co2)cc1 82072091 KMEMVKAWZGUUAU-UHFFFAOYSA-N 413.518 4.043 0 1 HIAF Cc1cccnc1CN1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1 84602295 TZUOZTCIJCIQGB-UHFFFAOYSA-N 413.525 4.226 0 1 HIAF COc1ccc(C2(O)C[C@H]3CC[C@H](C2)N3c2cc(C)nc(-c3ccccc3)n2)cc1 100510328 KWDYFRJIOOERNJ-NHCUHLMSSA-N 401.510 4.480 0 1 HIAF Cc1ccc([C@H](C)N2C[C@H]3[C@H](NC(=O)[C@@](O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1 101118412 AUEHDRBMNXBWBT-ZYXGYTSCSA-N 418.581 4.180 0 1 HIAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1ccccn1 103192254 GDQIEMYYSPUKAM-MRXNPFEDSA-N 419.292 4.207 0 1 HIAF COC1CCC2(CC1)Cc1ccc(CC(C)(C)C)cc1[C@@]21N=C(N)N(C(C)C)C1=O 169700427 AUUGFAOCTKCMDR-GATLKJJBSA-N 411.590 4.167 0 1 HIAF Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)[C@@H](C)c1ccccc1Cl 198928646 TZNABLTWXNAXSI-LBPRGKRZSA-N 421.931 4.287 0 1 HIAF O=C(O)c1cccc(Cc2c(-c3ccccc3)nn3cc(Br)ccc23)n1 203414389 IAYRXXCKZLCSHQ-UHFFFAOYSA-N 408.255 4.448 0 1 HIAF C[C@@H](Oc1nc(Oc2cccc(-c3cccc(CN)c3)c2)c(F)cc1F)C(=O)O 205199744 CWJKFSBWIMFSAB-GFCCVEGCSA-N 400.381 4.130 0 1 HIAF C[C@@H]1CC[C@H]2[C@H](CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)C(=O)O[C@]23[C@@H]1CC[C@@]1(C)O[C@H]13 299884261 STFFSDASJHIJJV-LNOYLUCISA-N 401.591 4.412 0 1 HIAF O=C1c2ccccc2-c2cc(-c3ccc(N4C(=O)C=CC4=O)cc3)nc3ccc(O)c1c23 586987468 BHXZBMJETZBQFO-UHFFFAOYSA-N 418.408 4.248 0 1 HIAF Ic1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587043442 ZNKBYJQHGPRJQM-HUUCEWRRSA-N 421.307 4.114 0 1 HIAF COC(=O)[C@H]1c2ccc(OC)nc2Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107284 QMDYDNMQESLTNM-QHCPKHFHSA-N 422.440 4.059 0 1 HIAF CCOC(=O)Cc1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587226796 SXWXFOYLFIJGNF-IBGZPJMESA-N 401.507 4.425 0 1 HIAF O=C(c1cc(F)c(F)c(Cl)c1F)c1c(CO)oc2cc(Br)cnc12 587276640 PKRHGSLCHHLVIR-UHFFFAOYSA-N 420.568 4.384 0 1 HIAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2O1 587328612 BAIIZUJMTPVFMG-JTHBVZDNSA-N 408.356 4.234 0 1 HIAF C/C(=C\[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C 587333605 GVSZAXZMXQVLHI-SPHGZTGMSA-N 419.456 4.041 0 1 HIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1NC(C)=O 587578215 MYZVAUYPTUMEAY-URXFXBBRSA-N 419.433 4.236 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cnccn2)s1 587614139 RHPYITDXKSQECO-PXNSSMCTSA-N 403.419 4.009 0 1 HIAF O=C(O)Cc1c(-c2cc(Cl)ccc2O)[nH]c2c1c(Br)cc1n[nH]cc12 587621796 JGYKRYQPKKINLM-UHFFFAOYSA-N 420.650 4.460 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccco2)N1 587723192 VNGUZHFDQCUMDJ-HUTHGQBESA-N 402.210 4.183 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2ccccc2N)N1 587746562 HBVBVBPWVYWZRH-LRTDBIEQSA-N 412.306 4.392 0 1 HIAF COC(=O)c1oc2c(c1C)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587827561 KLTMQVNESGONBD-FVINQWEUSA-N 422.294 4.390 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC[C@H]2OCc2ccccc2)N1 587836830 XTIGEYZUYZUPFT-XMDBHEJHSA-N 420.322 4.323 0 1 HIAF Cc1cc(CN2CCC[C@@H](C)C2)c(C)c([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963509318 MJHBYTTZWJDGLV-JQRIVJTKSA-N 422.569 4.238 0 1 HIAF Cc1cc2c(cc1O)[C@@]1(CCCc3nc(-c4ccccc4F)sc31)N[C@H](C(=O)O)C2 963529784 YBUXRHWVHZBDAN-FDDCHVKYSA-N 424.497 4.142 0 1 HIAF Cc1cc(-c2nc3ccc(C4CCOCC4)cc3n2Cc2ccccn2)cn(C)c1=O 1772598185 HPDZPBHDFIGHFW-UHFFFAOYSA-N 414.509 4.048 0 1 HIAF Cc1nnc2sc(C(=O)NCc3ccc(-c4ccncc4F)cc3)c(N)c2c1C 1772629185 USZMUFRQMYZEIC-UHFFFAOYSA-N 407.474 4.021 0 1 HIAF Fc1ccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c(F)c1 1857649543 BIIHYOYHDJBOEE-UHFFFAOYSA-N 420.345 4.270 0 1 HIAF CCn1c(C(=O)N2CCC[C@@H](C(=O)NCCc3ccc(C)cc3)C2)cc2sccc21 4119170 FTYHOMDFAYMDGA-LJQANCHMSA-N 423.582 4.242 0 3 HIAF Cn1c(=O)c2cc(NC(=S)NC3CCCCC3)ccc2n1Cc1ccc(F)cc1 61902232 LUCMZQMCJFXMFG-UHFFFAOYSA-N 412.534 4.147 0 3 HIAF COc1cc(-c2cc(NC=O)c3ncc(-c4ccccc4)n3c2)cc(OC)c1OC 61908583 JMTKWMODGHXHGR-UHFFFAOYSA-N 403.438 4.262 0 3 HIAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@H]1c1ccc(OC)cc1 95603105 DWVNHKIEPWPGBH-IBGZPJMESA-N 416.930 4.227 0 3 HIAF O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1ccc(Cl)cc1Cl 990969 BHTCISRECAWBCS-UHFFFAOYSA-N 413.326 4.467 0 1 HIAF COc1cc(CCC(=O)Nc2c(C(=O)N3CCCCCC3)oc3ccccc23)on1 9251308 RRLVGVHPQCBYKG-UHFFFAOYSA-N 411.458 4.017 0 1 HIAF Cc1c(C(=O)N(C)Cc2ccco2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 11869016 MOBPSUPFLVHSQD-OWCLPIDISA-N 408.527 4.489 0 1 HIAF COc1cc([C@H]2Oc3c(OC)c(Cl)c4ccc(=O)oc4c3O[C@H]2C)ccc1O 13400396 YAFMPQNTPUSIBR-FVMDXXJSSA-N 404.802 4.070 0 1 HIAF biogenic CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NCCc2ccccc2)C1 13677503 SRRVLPVASMWVKI-IRLDBZIGSA-N 417.018 4.467 0 1 HIAF NCc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 28096510 DCFDUOQEXJUDGR-UHFFFAOYSA-N 415.280 4.352 0 1 HIAF COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cc(OC)ncc3C)cc1N2 38938636 GCKWSCXVGBMYDQ-UHFFFAOYSA-N 403.438 4.090 0 1 HIAF CN[C@@H]1CC[C@H]2[C@@H]3CCc4cc(OC[C@@H](O)CNC(C)(C)C)ccc4[C@H]3CC[C@@]21C 66065856 DLVAQEYQVGVGRK-ROCVFUSGSA-N 414.634 4.259 0 1 HIAF CNC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1 66066406 CRYHRWYRMCKERY-UHFFFAOYSA-N 421.526 4.389 0 1 HIAF CC(=O)O[C@@H](c1ccc(Br)cc1)[C@@H](Cn1ccnn1)c1ccccc1 96286438 HWIBXSYJGNHKPQ-OALUTQOASA-N 400.276 4.129 0 1 HIAF CCCCCCOc1ccc(NC(=O)C2=C(O)[C@@H](Cc3ccccc3)NC2=O)cc1 101160285 BEHXYFDDPCDWEZ-HXUWFJFHSA-N 408.498 4.137 0 1 HIAF CCOc1cccc(C2(N3CCN(c4ccc(Cl)nn4)CC3)[C@@H]3CC(C)C[C@H]32)c1 101685220 ABMVPPVIAHIGQO-UGQXBFMTSA-N 412.965 4.222 0 1 HIAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1nc(CC#N)[nH]c1Cl 220786775 OFGFZTYYSDLURF-UHFFFAOYSA-N 415.884 4.216 0 1 HIAF CC(=O)OC[C@]12C=C[C@@]3(CC[C@@H]4C(C)(C)CC[C@H](OC(C)=O)[C@@]4(C)[C@@H]3C[C@H]1O)C2 238751297 SEVZSFXVQMTGHM-RUGMLBKXSA-N 404.547 4.031 0 1 HIAF Cc1c(Br)ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966664 ITKPIZNYUWBVEW-UHFFFAOYSA-N 402.277 4.371 0 1 HIAF CCOc1ccccc1[C@@](N)(c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(F)(F)F 587093317 RZRSVSYLYVAMFN-MRXNPFEDSA-N 415.318 4.048 0 1 HIAF OCc1ccc(F)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 587140031 FQXYWCDHOMNDCE-UHFFFAOYSA-N 400.045 4.386 0 1 HIAF Oc1c(Br)ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587161184 LEKNUDGYJBHCKQ-UHFFFAOYSA-N 422.645 4.130 0 1 HIAF CN(C)CCOc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587245399 XMUFMFBCAIFDDJ-UHFFFAOYSA-N 400.482 4.423 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCc4ccc(OC)c(Br)c41)[C@@H](C2)C3=O 587418195 SOKAUJRRLKDHBF-RNODOKPDSA-N 401.256 4.055 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1sc(C)nc1C)CC2=O 587496403 XBUMFIDAWWYYJU-OAQYLSRUSA-N 403.500 4.232 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587549848 SBXYOAXABKGVGQ-JRQSSSKMSA-N 418.392 4.091 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCc2ccc(F)cc2)N1 587731652 HXOAMJWXCCFACO-FKIZINRSSA-N 423.301 4.183 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587741705 ICGORXBRCKZYPX-PRWKNARSSA-N 419.294 4.107 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCC(=O)N3C)N1 587776708 YGKORXXBVDZXED-YBTHPKLGSA-N 403.295 4.121 0 1 HIAF CCOC(=O)Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587795719 JCAXUZRRYYRBCL-LRTDBIEQSA-N 420.322 4.492 0 1 HIAF CC(=O)NCc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587847890 MLZWTNNOEKYNTL-MGNBDDOMSA-N 411.340 4.084 0 1 HIAF CN1CC[C@H](N(C)CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 653682130 GNUZGIPDSZQXNC-FQEVSTJZSA-N 421.614 4.211 0 1 HIAF COc1cccc(CC[C@@H]2CCCCN2C(=O)c2cc(C)ccc2-n2nccn2)c1 653795664 REOZYZIIPOJEAW-FQEVSTJZSA-N 404.514 4.212 0 1 HIAF COc1cc(Cl)cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1O[C@H](C)C(=O)O 963108659 PILSMQVQSRVAIW-RRBXVBTKSA-N 419.880 4.450 0 1 HIAF Cc1c(O)ccc2c1[C@@](C)(c1ccc(Oc3ccccc3)c(F)c1)N[C@H](C(=O)O)C2 963522095 DUEXUOWQHWHQOA-YADARESESA-N 407.441 4.494 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(=O)(=O)CC)cc21 1857590435 NCZUPIPPHWSHAQ-UHFFFAOYSA-N 420.534 4.134 0 1 HIAF 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]4C[C@@H](O)[C@@]32C)O[C@]12CCCCO2 2356663456 HFWFMXHILGQMNK-SLDHOLPNSA-N 416.602 4.439 0 1 HIAF CC(=O)c1cccc(CN2CCC(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)c1 15074000 KANBSCGXMWOAKD-UHFFFAOYSA-N 402.498 4.130 0 3 HIAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC 767932 YDIADUIWFSNXQL-ISKFKSNPSA-N 416.477 4.112 0 1 HIAF COc1ccc([C@@H]2CC[C@@H](OCCCCn3c(C)nc4cnccc43)O2)cc1OC 3801618 OBNNIOHNWGWSBC-REWPJTCUSA-N 411.502 4.432 0 1 HIAF COc1ccc2c(c1)CC[C@H]1[C@@H]3CC(=O)N(CCN4CCCCC4)C(=O)[C@@]3(C)CC[C@@H]21 6482856 ZOAJGMAIXWPQOE-LNEBKTTKSA-N 424.585 4.002 0 1 HIAF C[C@H](O)c1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 9780705 JZCHBJSHYLEUPN-XNJJOIOASA-N 420.391 4.442 0 1 HIAF CC[C@@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@@H]1CC(=O)NCc1ccc(F)cc1 25434165 QGTOFJLHFCFPDO-IAGOWNOFSA-N 417.912 4.069 0 1 HIAF biogenic CCc1oc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1-c1ccccc1 26579517 BCKYZQXYVOOTDX-LJQANCHMSA-N 422.506 4.420 0 1 HIAF O=c1c2cc(F)c(-c3ccc4cncnc4c3)cc2n(C2CC2)c2snc(O)c12 28569670 YUGZZHMCYUGIFF-UHFFFAOYSA-N 404.426 4.401 0 1 HIAF C[C@@H](c1ccc(O)cc1)[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 29469676 XAKUZHBVDGUKLO-LKXVNWHZSA-N 400.515 4.408 0 1 HIAF CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCCCC2)[C@@H]1c1cn(C)c2ccccc12 34855268 LEAVSIGBGOQXNS-RPWUZVMVSA-N 415.537 4.491 0 1 HIAF COc1cccc(C(=O)Oc2cccc(OC)c2OC(=O)c2cccc(OC)c2)c1 49072357 KBGCKHBIGGZCBV-UHFFFAOYSA-N 408.406 4.151 0 1 HIAF CC(C)(C)OC(=O)NC1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 72103054 FPTNISWBXJYFJZ-IBGZPJMESA-N 420.916 4.348 0 1 HIAF Cc1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(Nc4ccccc4)n3)C2)cc1 84634273 CMLFUZWZYHQJSJ-FQEVSTJZSA-N 401.514 4.061 0 1 HIAF O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)Oc1ccccc1 96907545 DAWPPIDYUYUYDS-UHFFFAOYSA-N 416.502 4.337 0 1 HIAF Cc1cc(C)n2nc(SCc3nnc(SCc4ccccc4F)s3)nc2n1 96928621 QDSCAZKRONGFBJ-UHFFFAOYSA-N 418.548 4.316 0 1 HIAF CCCN1CCN(c2nc(CCN(C)CCCCc3ccccc3)cs2)CC1 98082649 NCQNMASJADQIGY-UHFFFAOYSA-N 400.636 4.172 0 1 HIAF CCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100633154 KNNBOUJMARSVFB-DNVCBOLYSA-N 410.539 4.149 0 1 HIAF CC(=O)N1C[C@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4cnccc4s3)ccc12 101656217 FCVJBHCSSQVABJ-CVEARBPZSA-N 420.494 4.035 0 1 HIAF O=C(Nc1ccnc(C(F)(F)F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 143025099 XTKIFUMMJGGKQY-UHFFFAOYSA-N 402.254 4.422 0 1 HIAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2ccnn2C)n1 144442727 TZFHXDXRZWOPSJ-UHFFFAOYSA-N 401.445 4.493 0 1 HIAF CN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)Cc1cn(C)c2ccccc12 149195496 VSLQYXQCZCSVTP-XMMPIXPASA-N 423.944 4.024 0 1 HIAF CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)OCc3ccccc3)c3ccccc23)S1 169319775 WSWBEISKHBBOKF-LIRRHRJNSA-N 407.495 4.147 0 1 HIAF CN1C(=O)CCc2cc(-c3cncc(CC(=O)Nc4cccc(Cl)c4)c3)ccc21 221049824 ROAMWIZUESYNFI-UHFFFAOYSA-N 405.885 4.492 0 1 HIAF Cc1cc(Br)cc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12 586948278 MTGOPOUOWUXAOD-UHFFFAOYSA-N 408.321 4.451 0 1 HIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Br)cnc(Cl)c2[nH]1 587116461 XYCRIKXVGOUFOH-UHFFFAOYSA-N 415.000 4.447 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc3c(c1C)C(=O)N/C(=C\Cl)N3)O2 587412992 LASDCZLKMKJSLI-HBAHQKBISA-N 403.891 4.021 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccc(C(=O)O)c4)cc1)[C@@H](C2)C3=O 587442173 IRUWTHZHABASQT-GBXCKJPGSA-N 416.429 4.461 0 1 HIAF CC(C)(C)OC(=O)NC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573639 UBAMORPOLNDPEM-FDDCHVKYSA-N 411.454 4.027 0 1 HIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cncc(Br)c1 587656279 FFEZXSRXZYQLPP-UHFFFAOYSA-N 410.246 4.408 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Br)c2)N1 587677447 AJKCSYMKICOOST-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)NC3CC3)cc2)N1 587739609 BPOXZQSZTJKXHF-WYRIXSBYSA-N 403.295 4.104 0 1 HIAF COc1ccc(-c2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1O 587786050 GLEMDOHIGBCSED-UHFFFAOYSA-N 415.493 4.443 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCC(=O)O)cc2)N1 587793528 NLRDLBXMAIAZJE-FKIZINRSSA-N 422.294 4.455 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C2\Nc3ccccc3C(=O)O2)N1 587796250 SQPDVYOBIMRVHY-SVYGXOSTSA-N 417.278 4.462 0 1 HIAF COc1ccc([C@]2(/C=C\C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587812237 YUTWQAAFEKVVSI-RIDILDGFSA-N 420.278 4.015 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2nccn2C)N1 587850983 HDZLSWRETNOYKO-BBATYDOGSA-N 406.324 4.209 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccc2c(=O)n1C 587866808 PYWUJOJOHQCTQP-UHFFFAOYSA-N 414.387 4.204 0 1 HIAF COc1ccc(CNc2c(-c3c(O)cc(OC)cc3OC)nc3ccccn23)cc1 653717529 LGCYNWNBWYOUNP-UHFFFAOYSA-N 405.454 4.345 0 1 HIAF CCOC(=O)c1ncn2c1cc(C(=O)N(C)Cc1ccccc1)c1cc(F)ccc12 653835896 YVEHLVANFLRELQ-UHFFFAOYSA-N 405.429 4.076 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@]2(CC(C)(C)C(=O)O)c1cccc(N(C)C)c1 963257067 GPLOGKUIJUEZFQ-HSZRJFAPSA-N 416.949 4.305 0 1 HIAF Cc1nc(N2CCCCC2)ncc1[C@]1(C)c2cccc(Br)c2CCN1C 963281382 RUZDVOXNYLHFHG-NRFANRHFSA-N 415.379 4.289 0 1 HIAF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)c1cncc(F)c1 963903695 DROKCWULTYLDRO-JPYJTQIMSA-N 414.477 4.429 0 1 HIAF CN(CC(=O)O)[C@H](COCc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 1857650742 NWAJJAAREYCLNI-DEOSSOPVSA-N 419.521 4.410 0 1 HIAF C[C@@H]1c2nc(NC(=O)c3ccccn3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356320804 OBYSSIJIWOXWOJ-HMJUKQCNSA-N 411.527 4.044 0 1 HIAF CCN1c2ncc(N(C)C(=O)c3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 13780562 NRPOYRRCQSGMTG-UHFFFAOYSA-N 421.888 4.155 0 1 HIAF CC(=O)O[C@@H]1CC=C(C)[C@H]2CC3=C(C)C(=O)O[C@@H]3/C=C(/C)CC[C@@H](OC(C)=O)[C@]12C 15048321 ZJOXMWJKQWLNFX-NLYLNECASA-N 416.514 4.194 0 1 HIAF CC(C)N(CC[C@@](CC[C@H]1CCCCN1)(C(N)=O)c1ccccc1Cl)C(C)C 26264566 AFVWAVIJLFYWRJ-AUSIDOKSSA-N 408.030 4.494 0 1 HIAF CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)C(C)(C)N(C)[C@H]1c1ccccc1 26379687 HOEXDFLXQKKUKP-FQEVSTJZSA-N 417.550 4.018 0 1 HIAF CCCCc1ccc(C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 28252784 GIQONUIUNOOGAV-UHFFFAOYSA-N 419.477 4.391 0 1 HIAF CC(C)(c1cc(-c2cccc(-c3ccc[n+]([O-])c3)c2)c2ncccc2c1)S(C)(=O)=O 29037750 TVDKLCZIHMRFLG-UHFFFAOYSA-N 418.518 4.482 0 1 HIAF Nc1nc2c(cnn2CCc2ccc(-c3ccccc3)cc2)c2nc(-c3ccco3)nn12 40934341 UFROJDFLPLJFOY-UHFFFAOYSA-N 421.464 4.226 0 1 HIAF Clc1ccc(CNc2ncnc3c2nc(C2CC2)n3CCN2CCCCC2)cc1 82185287 XFYLVYYLGIZFME-UHFFFAOYSA-N 410.953 4.455 0 1 HIAF COCCn1c(-c2cccc(O)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82187842 AJNYKCPCGFGYEK-MRXNPFEDSA-N 403.486 4.061 0 1 HIAF CCC(CC)CNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2 82209501 JSZATBYIDHHBFG-NRFANRHFSA-N 424.589 4.453 0 1 HIAF CCCOC(=O)Oc1cc(OC)ccc1C(=O)c1ccc(=O)n(-c2ccccc2C)c1 96915042 KJXXZRSNSLFSPS-UHFFFAOYSA-N 421.449 4.311 0 1 HIAF O=C1O[C@@H](COc2cccc3[nH]c4ccccc4c23)CN1CCOc1ccccc1O 96939318 IWHKJJOOPPEQLJ-MRXNPFEDSA-N 418.449 4.305 0 1 HIAF C/C(=C\C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)O)c1ccc2ccccc2c1 103247908 JIUTWNQYLKAHAI-SAPNQHFASA-N 416.477 4.417 0 1 HIAF O=C(Cn1ncc2c3ccccc3nc-2c1O)N(Cc1ccco1)C1CCCCC1 103536423 LSOLLJZKLULXPG-UHFFFAOYSA-N 404.470 4.196 0 1 HIAF CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2ccco2)C1 104551652 PVBZQROJRCDVBX-GSRZOBFVSA-N 416.562 4.107 0 1 HIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2noc(C)n2)c1 167861144 DHHJTNFBRIFBHL-SFHVURJKSA-N 407.470 4.316 0 1 HIAF Cc1nc(N(C)C)ncc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587194198 AMUVXULBBYEIIQ-UHFFFAOYSA-N 400.202 4.176 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cccc(Cl)c32)[C@@H]1c1ccc(F)cc1 587328905 KRHPLJYFEDDAKW-XMSQKQJNSA-N 409.800 4.391 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O[C@@H](C(=O)O)c3ccccc3)cc1)O2 587399324 IHIANVOTORPUGR-FCHUYYIVSA-N 403.434 4.488 0 1 HIAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)nc3n1CCC3)CC2=O 587492066 WKFAIHNBDTZNQL-RUZDIDTESA-N 417.509 4.287 0 1 HIAF COC(=O)C[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541165 DJSBDQMSKLZEOH-OFNKIYASSA-N 424.836 4.466 0 1 HIAF CCCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 587596298 QQNQXJBGGXRTKG-YKSBVNFPSA-N 401.418 4.154 0 1 HIAF CCC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587600180 MOZXIJDYFBMDLI-URXFXBBRSA-N 420.417 4.419 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCN(C)N=O)(c2cccnc2)N1 587756524 QZVJVAMWAQANFU-DJJJIMSYSA-N 421.314 4.154 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCc2ccccc2)N1 587758598 YMHMHWZXWAXJJQ-XCLFUZPHSA-N 405.311 4.044 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CN3CCOCC3)c2)N1 587777175 ZNLXZENTTIDIOI-SPLOXXLWSA-N 419.338 4.044 0 1 HIAF CCC[C@@H](CC1(c2nc3c(O)nc(O)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781178 FBJZXOPQSWGEMQ-INIZCTEOSA-N 424.501 4.126 0 1 HIAF C[C@H](Oc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)O 587789795 DLLTYRHGPJOWBL-XAAFQQQXSA-N 422.294 4.238 0 1 HIAF O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl 618005672 XTZBBHWYUGQTIG-QFIPXVFZSA-N 404.897 4.396 0 1 HIAF c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCCN3CCOCC3)CC2)c1 618012337 AVKOVYOVJIPVQJ-UHFFFAOYSA-N 418.585 4.116 0 1 HIAF COc1c(Cl)ncc(Cl)c1[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962729453 IFTQSKSCGQNRCB-WCQYABFASA-N 405.203 4.132 0 1 HIAF CCOC(=O)CCC[C@]1(c2ccc(C)c(C)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903215 WJWIACCIBMKVGK-XUZZJYLKSA-N 413.489 4.018 0 1 HIAF CC[C@@]1(CCCCC(=O)O)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962919485 KTPAXPVGKIXBCZ-REWPJTCUSA-N 413.470 4.034 0 1 HIAF COc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc(I)c1O 1250474934 BGSQZCDVJMWTCU-UHFFFAOYSA-N 400.603 4.202 0 1 HIAF COc1cc(OC2CCC2)nc(-c2ccc3c(c2)CC[C@H](CCC(=O)O)O3)c1F 1772651514 WEVAGPPINDHSPL-MRXNPFEDSA-N 401.434 4.386 0 1 HIAF CCCCn1c2c(c3c(OC)cc(OC)cc31)CCn1c-2nc2ccccc2c1=O 1911576321 MDUWDCYCLZBNIH-UHFFFAOYSA-N 403.482 4.392 0 1 HIAF O=C(N[C@H](CO)c1ccc(F)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959220 CHRQOFCKHUIEES-HXUWFJFHSA-N 424.863 4.328 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C(C)=O)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26382461 DIISWROLLPLGMW-DTBQZZNTSA-N 416.606 4.251 0 1 HIAF CCc1ccc(CNC(=O)N2C(=O)C(CC)(CC)[C@H]2Oc2ccc(C(=O)O)cc2)cc1 27197807 VXOFBAJDGQWPDI-JOCHJYFZSA-N 424.497 4.211 0 1 HIAF CC[C@H](O)[C@H](O)n1c(=O)c(-c2ccc(F)cc2)c(-c2ccncc2)c2ccccc21 29039979 HGDZRTCSWAZCQY-REWPJTCUSA-N 404.441 4.131 0 1 HIAF CS(=O)(=O)c1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)[C@H](CC(=O)O)CC1 36190297 BCFNIKDKIBXOIX-AWEZNQCLSA-N 417.914 4.251 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H](O)O[C@@H](C3=CC(=O)O[C@@H]3O)C[C@H]21 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COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 195400664 AXYTWSCYIWVQDK-IHPCNDPISA-N 406.532 4.120 0 1 HIAF Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(N3CCOCC3)c2c1 201536864 UDIYWUXWBIHXAB-UHFFFAOYSA-N 416.930 4.174 0 1 HIAF Cn1cncc1C(=O)N1CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1 206187403 HKWQSDHEZUENQF-UHFFFAOYSA-N 401.388 4.141 0 1 HIAF C=CC(=O)N[C@@H]1CC[C@H](Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1 216124151 DHEZRQRSUXRJKX-MSOLQXFVSA-N 415.497 4.153 0 1 HIAF Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1 224729176 RYJUSICBZTXVRD-UHFFFAOYSA-N 411.502 4.312 0 1 HIAF O=C(c1ccc(OC(F)(F)F)cc1)c1c(CO)oc2cc(Br)cnc12 587277072 YMMRHBSSDPFGNE-UHFFFAOYSA-N 416.149 4.212 0 1 HIAF COc1ccc(OCCn2cccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431970 SJHCFTAYRHJVFT-NTKDMRAZSA-N 405.450 4.073 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCOC)c(OC)c1)CC2=O 587481519 NADHBUPTYOZSKR-OAQYLSRUSA-N 400.471 4.475 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)n2)N1 587683373 OVRFEBCBUUFLFN-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF CCn1ncc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587701348 CKYJJZIBLCMWMU-ABKXIKBNSA-N 420.248 4.453 0 1 HIAF COC(=O)C[C@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587725586 FEGREDABNVLYQG-JEOXALJRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3cscn3)CC2)N1 587853268 LTSPYGBJKPYDHA-GFCCVEGCSA-N 410.356 4.070 0 1 HIAF O=C(O)CCCC[C@@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959895 QPFBEUAGPVRSKC-IERDGZPVSA-N 423.843 4.106 0 1 HIAF CCCc1n[nH]cc1[C@H]1c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963833438 VWSFOSPQWSRPDP-IIBYNOLFSA-N 413.518 4.397 0 1 HIAF CC1(O)CC(NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)nc4)ccc3n2)C1 1772573198 MJWITLSHGRIZNA-UHFFFAOYSA-N 417.387 4.084 0 1 HIAF COc1cccc([C@H](c2ccc(O)c(OC)c2)[C@@H](CO)c2ccc(O)c(OC)c2)c1 2356406874 JCCPWOFLCPSRGA-YADARESESA-N 410.466 4.032 0 1 HIAF CCn1cc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)c(C)n1 12584675 BSBKJMQIYXUJSP-SFHVURJKSA-N 409.559 4.186 0 3 HIAF C[C@@]1(C(=O)Nc2ccc3[nH]cnc3c2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61904265 IWAZTUUOFIMUDM-SANMLTNESA-N 424.504 4.402 0 3 HIAF Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N(c2ccccc2)C(C)C)cc1 6332276 AGSFIWPTBXXJPM-UHFFFAOYSA-N 423.538 4.228 0 1 HIAF CCN1CCN(C(=O)c2ccc(-c3nc(COc4ccc(C)cc4)c(C)o3)cc2)CC1 6941068 DIKHKDUCZRJYIA-UHFFFAOYSA-N 419.525 4.315 0 1 HIAF CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 13583752 OQFOSVZSOLGQSX-MJGOQNOKSA-N 402.535 4.298 0 1 HIAF O=C(O)C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1CC1CCCCC1 13824710 JFBQKTMQLRVNBD-CVEARBPZSA-N 405.318 4.082 0 1 HIAF O=C1Cc2ccccc2N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 28866136 SAFSSBPNJDIAIH-UHFFFAOYSA-N 417.475 4.197 0 1 HIAF CCC[C@H]1c2ncccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 29050689 PBVMNRPKLPSZNJ-NRFANRHFSA-N 410.481 4.426 0 1 HIAF O=c1oc2ccc(Br)cc2c(=O)n1Cc1ccc(Cl)c(Cl)c1 33816206 UINSJVYZKQYMKL-UHFFFAOYSA-N 401.043 4.072 0 1 HIAF Cc1ccccc1[C@@H](c1cccc(C)c1C)[S@@](=O)CCN1CCC[C@H](C(=O)O)C1 42965880 SJOHLQSDIATXGF-FWMKOTLJSA-N 413.583 4.247 0 1 HIAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(OCCCN2CCOCC2)c1 43019763 HVIRJOBIALLHNX-UHFFFAOYSA-N 407.873 4.224 0 1 HIAF COC(=O)c1ccccc1NC(=O)c1cc(COc2ccc3sc(C)nc3c2)on1 45245175 RXOKAVUEUMPSSV-UHFFFAOYSA-N 423.450 4.211 0 1 HIAF Cc1ccc2cccnc2c1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 62178733 VSMFVZRIPUSZII-GHSBBIOCSA-N 423.472 4.107 0 1 HIAF COc1ccc(OC)c(-c2cccc3c(N)c4c(nc23)CN(C2CC(C)C2)C4=O)c1 71294606 XWZMJFFBQCEPGX-UHFFFAOYSA-N 403.482 4.256 0 1 HIAF Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCCC3)ccc1=O 95554798 JFORDIJYTZRGQE-UHFFFAOYSA-N 401.445 4.026 0 1 HIAF O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(-c2ccccc2)s1 95577515 KFVYJNNGAANKPZ-NZQKXSOJSA-N 403.551 4.245 0 1 HIAF O=C(c1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 95877488 WMVYRBDHTHBYSW-VEXUSMLFSA-N 402.469 4.483 0 1 HIAF O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCCC1 95894199 PIAGLHCUEXQJEW-RBZQAINGSA-N 408.517 4.195 0 1 HIAF COc1cc(C(=O)c2cc3cc(N(C)C)cc(OC)c3s2)cc(OC)c1OC 103233930 MAXMMZSAZNBMJU-UHFFFAOYSA-N 401.484 4.233 0 1 HIAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](Cc3ccc(Cl)cc3)CNC4=O)c2nc1N 143346885 JRYFWOLNIOKGSO-AWEZNQCLSA-N 417.900 4.239 0 1 HIAF Cc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccccc3)n2)c1 146187043 WDSCOALUHAJVNA-UHFFFAOYSA-N 406.449 4.414 0 1 HIAF c1ccc(-c2csc3ncnc(N4C[C@H]5C(COCCN6CCCC6)[C@@H]5C4)c23)cc1 146467212 KQZZFJQHRKMMKY-RTBURBONSA-N 420.582 4.153 0 1 HIAF CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)[C@@H]2C(=O)CC(C)(C)CC2=N3)cc1 169690038 WOSDUEIWRIPHEQ-SFTDATJTSA-N 414.513 4.087 0 1 HIAF CC(=O)N1CCc2c(c(-c3cccc(C(F)(F)F)c3)nn2Cc2ccc(C#N)cc2)C1 204889822 ZNONFYWORFPQFM-UHFFFAOYSA-N 424.426 4.393 0 1 HIAF COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1 205951182 OVBIYKXJDHJOKV-UHFFFAOYSA-N 407.323 4.442 0 1 HIAF Cc1cnc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@H]3C)c(C)c1 225980133 ZCMLNGREFPJXJY-ZDUSSCGKSA-N 416.312 4.345 0 1 HIAF COc1c(Cl)c(C)cc(O)c1C(=O)c1cccc(O/C=C/[C@@H](C)C(=O)O)c1C=O 238786723 GAZYEUATOWFTEU-WSKFYRRCSA-N 418.829 4.019 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299876411 FQJHQCITQOZRFI-DGEVVOEJSA-N 404.551 4.232 0 1 HIAF Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)c1 473180505 WKSFERSMQSQZQP-MMOPVJDHSA-N 418.472 4.058 0 1 HIAF CC(C)(C)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2n1 586999769 HTHJINNQDNUMEX-UHFFFAOYSA-N 414.259 4.497 0 1 HIAF N=c1[nH]c2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc-2c(Cl)[nH]1 587067892 AZADZSVCWRHYNU-UHFFFAOYSA-N 412.240 4.137 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)C(F)(F)C1 587132508 RMCNLTNDIDLGFO-SNVBAGLBSA-N 407.339 4.431 0 1 HIAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 587158220 AGCKHKLBUBZIEO-UHFFFAOYSA-N 410.470 4.372 0 1 HIAF FC(F)(F)Oc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587185163 QMMPFVUNYANOLM-UHFFFAOYSA-N 405.117 4.128 0 1 HIAF Nc1cccc(C(=O)O)c1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587248276 LFPLWJFNCPOBAE-UHFFFAOYSA-N 416.153 4.171 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c[nH]c3ccc(OC)cc13)CC2=O 587486503 UHLUEDMFHCDKKX-XMMPIXPASA-N 423.465 4.258 0 1 HIAF Cc1cnn(Cc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c1 587582115 OHYSIGWLVIWIEB-NZQKXSOJSA-N 402.406 4.241 0 1 HIAF Cc1cc(C)nc(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587660381 BZRKBADUKZTWMU-UHFFFAOYSA-N 420.469 4.042 0 1 HIAF COC(=O)c1ccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587806099 UQNWLHNWKVQANF-DGIBIBHMSA-N 417.278 4.480 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=S)N(C)C)cc2)N1 587847787 YHTOKTPAGRGFNX-ADLMAVQZSA-N 423.351 4.437 0 1 HIAF CCN(CC)c1ccc2cc(C(=O)c3ccc(N4CCN(C(C)=O)CC4)cc3)oc2c1 653866823 YFGCBBHKLLYHGC-UHFFFAOYSA-N 419.525 4.179 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 962951709 OUKFYTCUFZUHKJ-OYLFLEFRSA-N 400.482 4.343 0 1 HIAF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cnc1Cl 963173740 FBQXKTWAKGWLAH-BXUZGUMPSA-N 405.203 4.404 0 1 HIAF C[C@]1(c2cc(Cl)ccc2OC(F)F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963227087 FKOCDLAGUJDCHO-DYESRHJHSA-N 418.827 4.352 0 1 HIAF COc1ncc([C@H]2c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)s1 963852723 DOXNTZKZAJBUHV-RDTXWAMCSA-N 418.515 4.186 0 1 HIAF COc1ccc(/C=C(/CNCCCn2ccnc2)c2ccc(OC)c(OC)c2)cc1 1857598228 CODFPRIVFQOFIB-QNGOZBTKSA-N 407.514 4.129 0 1 HIAF CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](N(C)C)C[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C[C@H]1O 2356732997 NCGLTZSBTFVVAW-YVYIBKBNSA-N 405.623 4.150 0 1 HIAF Cc1ccc(S(=O)(=O)N[C@@H](CN[C@H](C)c2ccccc2)Cc2ccccc2)cc1 26151982 TYVDSYMCSNUDHM-NFBKMPQASA-N 408.567 4.235 0 1 HIAF CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2cccn2)CC1 26571236 IDZVQPKXBGZUSM-UHFFFAOYSA-N 420.532 4.457 0 1 HIAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCCC2)[C@H]1c1cn(C)c2ccccc12 34855269 LEAVSIGBGOQXNS-BJKOFHAPSA-N 415.537 4.491 0 1 HIAF O=c1c2ccccc2nc2n1CC/C2=C\c1ccc(OCCN2CCCCC2)cc1 40894911 NWZBAOLXTYKHBF-CZIZESTLSA-N 401.510 4.206 0 1 HIAF Cc1cc([C@H](O)CO)ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12 45347428 NPIPKTZIQRILBV-GOSISDBHSA-N 413.449 4.160 0 1 HIAF COc1cc(Cl)ccc1-c1ccn(-c2ccc3c4c(n(C)c3c2)CCNC4)c(=O)c1 64560063 RXIUGUFEQRNQOD-UHFFFAOYSA-N 419.912 4.304 0 1 HIAF COC(=O)[C@]1(C)C=C[C@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F 72137777 PZNMCEPHIVAKBR-NKFCBESUSA-N 420.225 4.019 0 1 HIAF Fc1cccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCN2CCCCC2)c1 82181498 AGIVOXFZCXBUAS-UHFFFAOYSA-N 420.492 4.323 0 1 HIAF COCCn1c(-c2cccc(O)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82187841 AJNYKCPCGFGYEK-INIZCTEOSA-N 403.486 4.061 0 1 HIAF O=C([C@@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 95559267 IAJQUJNBYYGCQD-REWPJTCUSA-N 402.425 4.343 0 1 HIAF O=C(Nc1ccc(Oc2ccccc2)cc1)C1=C(O)C[C@@H](Cc2ccccc2)NC1=O 100076071 CSUNYHHUCBSUKR-LJQANCHMSA-N 414.461 4.361 0 1 HIAF C[C@@H](Cc1ccc(-c2ccccc2)cc1)SC(=O)[C@@H](C)NC(=O)CCCC(=O)O 103192444 SFKWXWUCAQJVPW-DLBZAZTESA-N 413.539 4.304 0 1 HIAF CC#C[C@@H](CC(=O)O)c1ccc(NC(=O)C(=O)Nc2cccc(C(C)(C)C)c2)cc1 145913065 YKWRTRHYNQCZLY-KRWDZBQOSA-N 406.482 4.143 0 1 HIAF CN1CCC[C@@H]1CCNC[C@@H]1CCN(c2ncnc3scc(-c4ccccc4)c23)C1 146402911 IUHQQVBGHOMFGE-AZUAARDMSA-N 421.614 4.259 0 1 HIAF COC(=O)[C@]1(C)C=C[C@H](C)[C@H](c2ccccc2Br)N1C(=O)C(F)(F)F 254046380 PZNMCEPHIVAKBR-WNMQOVRZSA-N 420.225 4.019 0 1 HIAF Cc1cc(Sc2ncccc2C(F)(F)F)ccc1-c1c(C)c(O)nc(=O)n1C 261147755 OETVNTJECPYHLE-UHFFFAOYSA-N 407.417 4.335 0 1 HIAF CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1ccc(Cl)c(Cl)c1 299822270 IBDQJNBQMJLXIU-LJQANCHMSA-N 404.293 4.311 0 1 HIAF C[C@H]([C@@H]1C[C@@H]1C(=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@@]12C 299848585 SPBCVLSZAPVLJN-LJUHKSOGSA-N 404.591 4.334 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2ccccc2F)cc1 299863695 LKAKGBUKZCZEMT-REWPJTCUSA-N 421.497 4.001 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cncc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 586961192 QELPWEOHVVCLLA-XWIAVFTESA-N 416.934 4.306 0 1 HIAF Brc1ccc2c(cnn2CCc2nc3cncc(Br)c3[nH]2)c1 587001807 HLCBCJXLHXANQJ-UHFFFAOYSA-N 421.096 4.075 0 1 HIAF CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(O)ccc4[nH]3)cc2)c1C(F)(F)F 587114524 DELDVQSCDZEXMK-UHFFFAOYSA-N 416.359 4.317 0 1 HIAF COc1cccc(C2=C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3O2)c1N 587391009 QTQXVFOYZPAETI-RUZDIDTESA-N 414.461 4.462 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(O)ccc(N)c21 587473682 ZHLUKOFBYLCAIY-VWLOTQADSA-N 415.445 4.086 0 1 HIAF COC(=O)[C@H](C)[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591425 GWRXKGRYOQIKTC-YVPSIOQSSA-N 418.445 4.144 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)ncnc2Cl)N1 587704283 JBZYPYISBMYUBT-ZIDLFYJRSA-N 405.098 4.483 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2OCCO2)(c2cccc(F)c2)N1 587733251 QCHQKLKKBXSHGT-MPBGBICISA-N 424.285 4.268 0 1 HIAF COc1ccc(-n2ccnc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587755780 QNYFTMOZXPFPRB-CWTRNNRKSA-N 416.294 4.406 0 1 HIAF C=CN1CCCC[C@H]([C@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587769121 XCCKVAGWMOLKSV-QTPGKHNVSA-N 421.354 4.500 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCCC(=O)O)c2)N1 587797021 VDRHRSSYXIAYHW-MPBGBICISA-N 422.294 4.455 0 1 HIAF COc1ccc(C[C@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653751540 LWZNAEHDKLMFEQ-FQEVSTJZSA-N 413.470 4.139 0 1 HIAF O=C(Cc1ccccc1)N1N=C(c2cccc(C(F)(F)F)c2)C[C@@]1(O)C(F)(F)F 1857750831 UZJKBRDHMDQLOY-QGZVFWFLSA-N 416.321 4.135 0 1 HIAF OC[C@@H](NCC(c1ccccc1)c1ccccc1)c1ccc(O)c2nc(O)ccc12 1857773208 OGHCQFJWLZZTSH-JOCHJYFZSA-N 400.478 4.101 0 1 HIAF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(C(=O)C2CCCCC2)CC[C@@]1(C)O 2356289712 YFLDLCOKQFBFCQ-MIZPHKNDSA-N 420.619 4.274 0 1 HIAF O=Cc1ccc([C@H](C2CCCC2)[C@@H]2C[C@H]([C@@H]3CC[C@@H]4CCC[C@@H]4N3)[C@]3(O)C[N@]23)cc1 2356373532 BZPUEYCJDUYTDS-QBAUOGDJSA-N 408.586 4.086 0 1 HIAF CC(=CC=C1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@H]2[C@@H](O)C[C@@]1(C)O 2356409859 UQABFAYKAMYBGT-ZGEUUCLJSA-N 418.574 4.037 0 1 HIAF COc1ccc([C@@H]2C[C@@H](OC(=O)C=Cc3ccc(O)cc3)C[C@H]3CCCCN23)cc1O 2356638844 SYMZKAVNWGDBHC-HJNYFJLDSA-N 423.509 4.421 0 1 HIAF CCOc1cc(NC(=S)NCC(C)C)c(OCC)cc1NC(=O)c1ccco1 8829610 NVFVOIKPRWVFFX-UHFFFAOYSA-N 405.520 4.272 0 3 HIAF Cc1csc2nc(Cc3cccc(NC(=O)c4ccc(NO)cc4)c3)oc(=O)c12 1903942 BKDITHGGNIFOAK-UHFFFAOYSA-N 407.451 4.202 0 1 HIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cccc(OCC)c1 4153239 MARULYAQJNQIKM-JTHBVZDNSA-N 410.514 4.492 0 1 HIAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl)N1CCOCC1 4310397 UZEPYMFWEZKDQI-MJGOQNOKSA-N 423.271 4.083 0 1 HIAF CC(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@@H]1[C@@](C)(CO)[C@H](OC(C)=O)CC[C@@]1(C)[C@H]3CC2 13376758 BKQZXXOCIRUGMX-XUXQSSLYSA-N 404.547 4.031 0 1 HIAF biogenic CN(C)c1cccc2c(S(=O)(=O)Nc3ccc4[nH]nc(Cl)c4c3)cccc12 13531343 CNAWVGOCWITAOF-UHFFFAOYSA-N 400.891 4.236 0 1 HIAF O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccc(F)cc1F 28647157 KLTITOLJXLUOKC-UHFFFAOYSA-N 407.892 4.155 0 1 HIAF COC[C@@H]1CCCN1C(=O)C1=C(C)Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 40934006 YUQIGBKAJHYJLB-IFXJQAMLSA-N 421.328 4.116 0 1 HIAF COC(=O)C(C)(C)c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 45188449 MARKFAUFCFINOE-FOIQADDNSA-N 423.475 4.410 0 1 HIAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)C3CCOCC3)cc2)cc1 73224597 WCNRAHOGLBRERU-LJQANCHMSA-N 413.583 4.333 0 1 HIAF CC(C)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccco1 82082025 KJOPFVMAUMGVIZ-KRWDZBQOSA-N 417.918 4.127 0 1 HIAF C[C@@H](CNc1ncnc2c1nc(-c1cccnc1)n2C[C@@H]1CCCO1)c1ccccc1 82188102 YTZKWUCHPRUCSZ-PXNSSMCTSA-N 414.513 4.283 0 1 HIAF COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc3c(c2)OCCO3)cc1 95559174 JMDLIQMJWSPCPA-QFIPXVFZSA-N 414.461 4.458 0 1 HIAF COc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccccc2F)cc1 100085898 MUQQZLCZSQCFKE-ACHVPNTGSA-N 417.484 4.473 0 1 HIAF CC1(C)CCN([C@@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C(=O)c2cnn(-c3cccc(F)c3)c21 101668397 XTLVGBFNINDOSV-BHNOCKQHSA-N 423.532 4.075 0 1 HIAF COC(=O)Cn1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21 103182335 KIIJBOIOIRVPKE-UHFFFAOYSA-N 403.719 4.208 0 1 HIAF C[C@@H](O)C1=CC[C@H]2[C@]3(C)[C@@H](C[C@@H]4[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@@]24CO)OC(=O)[C@@H]13 140250969 TZUPPPJRAVAHTM-IDAPHGBWSA-N 416.602 4.486 0 1 HIAF COC(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 148349368 QCQONIKODKIMCO-UHFFFAOYSA-N 405.458 4.353 0 1 HIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccsc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 169690687 YBNMBVQUARMXNJ-YSGRDPCXSA-N 401.528 4.288 0 1 HIAF CCS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](N)CC2 202732370 NUKKBDWDURQAMW-FGZHOGPDSA-N 421.990 4.143 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cc(C)c2[nH]1 586937711 SCLXBRMMTKXCBH-OAHLLOKOSA-N 409.964 4.297 0 1 HIAF CC(C)Oc1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 586945227 BOBVHOSHFGEENC-UHFFFAOYSA-N 417.512 4.150 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 587031332 DTBVZHLSKBJJMH-UHFFFAOYSA-N 401.513 4.181 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c1 587064848 HWJHMAOMDHKYQE-UHFFFAOYSA-N 414.918 4.479 0 1 HIAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)no2)n1 587117602 FDVCJCXTYXSJLX-UHFFFAOYSA-N 403.151 4.183 0 1 HIAF COc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1OCC(=O)NC(C)C 587222474 JZSVLKLDZIEGCB-UHFFFAOYSA-N 409.820 4.074 0 1 HIAF Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2c(C)n1 587238821 GJAAJCDIXFEJDW-WTBBCNCBSA-N 400.523 4.130 0 1 HIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)c(O)c1 587240623 MFDOXNSZJIABHL-UHFFFAOYSA-N 401.422 4.154 0 1 HIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587244884 OEIODYZTNAAKPT-UHFFFAOYSA-N 402.241 4.404 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 587328835 KKVQECZMVPMAOP-DENIHFKCSA-N 409.800 4.391 0 1 HIAF CC[C@]1(c2cc(C(=O)OC)n(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339906 GUMTUFTUCNOXGD-ZJSXRUAMSA-N 423.440 4.321 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 587486832 MFWUOCBWSIGLHX-FOZYCNAUSA-N 401.503 4.468 0 1 HIAF Cc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575757 DAOWCTXIDMJYJE-ZJSXRUAMSA-N 403.434 4.450 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587724569 JMBPUEKDJMLPFB-MPBGBICISA-N 424.285 4.377 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(O)ccc32)N1 587777407 HJUNAMGILNNNNP-YBTHPKLGSA-N 405.311 4.439 0 1 HIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(N[C@H](C)Cc4ccc(F)c(Br)c41)[C@H](C3)C2 587807071 KWJWTOPHENWFAV-HEBAWIJMSA-N 422.338 4.317 0 1 HIAF Cc1[nH]c2cnccc2c1[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962920129 CZSHLTNBXVNBJF-REWPJTCUSA-N 415.449 4.058 0 1 HIAF CCOc1ccc(NC(=O)C[C@@]2(C)NCCc3cnc4c(OC)cccc4c32)cc1 963054446 HGQDWGCXINPXAL-XMMPIXPASA-N 405.498 4.032 0 1 HIAF C[C@H](C(=O)N(C)C[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(C[C@H]2CCCC2=O)cc1 2356761032 BYGRKFHIDXVJAJ-UQAQOTMJSA-N 410.602 4.425 0 1 HIAF CCC[C@@H]1C=C(C(=O)OCC)[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1 34131401 JNPPLMFYXAVTAJ-KNQAVFIVSA-N 413.539 4.399 0 3 HIAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1OC 773614 JGQBTYUJGALDJT-KBXCAEBGSA-N 412.461 4.293 0 1 HIAF CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCCC1 13836514 CGVFVYJKFYSUMB-TWZLQVLMSA-N 406.563 4.421 0 1 HIAF Cc1cccc(-c2nc(CCOc3ccc(C[C@@]4(C(=O)O)CCCO4)cn3)c(C)o2)c1 34717785 KBOLGLHRFVZEAM-XMMPIXPASA-N 422.481 4.151 0 1 HIAF O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(OCCCN2CCOCC2)c1 34885166 MMAOLMZXLNWBTH-UHFFFAOYSA-N 412.574 4.333 0 1 HIAF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccs1 40847997 SNIUMEAFFOTCJB-UHFFFAOYSA-N 412.478 4.250 0 1 HIAF CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 64548697 FWKSHHMZTDAQKB-UHFFFAOYSA-N 417.912 4.426 0 1 HIAF O=C(CNC(=O)c1coc(-c2ccc3ccccc3c2)n1)NCCC1=CCCCC1 82084818 KCDOJGAHFRISNZ-UHFFFAOYSA-N 403.482 4.231 0 1 HIAF Cn1cc(-c2ccc(CN3C(=O)[C@](O)(C(F)(F)F)c4ccccc43)c(Cl)c2)cn1 95593403 NRRVIEYYXWNYOP-IBGZPJMESA-N 421.806 4.037 0 1 HIAF O=C(C[C@@H]1COCC[C@H]1NC1CCOCC1)c1ccc(C(F)(F)F)cc1C1CC1 96170646 ABOHUVIXZAQTKF-FOIQADDNSA-N 411.464 4.329 0 1 HIAF CSc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 96939942 DRNNLIYYRHXSSN-KRWDZBQOSA-N 422.550 4.451 0 1 HIAF COc1ccc(-c2nc(C)oc2C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 103291365 PDPNMKRJLNUUSX-UHFFFAOYSA-N 411.889 4.274 0 1 HIAF COC(=O)c1nc2n(n1)[C@H](c1ccc(C)cc1)/C(=C(\O)OC1CCCCC1)C(C)=N2 103531141 UEFDBHMBOOXCBL-GMQRBVGNSA-N 410.474 4.187 0 1 HIAF COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1-c1cncnc1C 114026558 SFUDNMVMMOYRLQ-UHFFFAOYSA-N 405.479 4.415 0 1 HIAF Cc1cc(C2CC2)c([C@@](N)(c2nc3ncc(C#N)cc3[nH]2)C(F)(F)F)c2cc[nH]c12 219493429 CEXZKNPZBJGBDS-HXUWFJFHSA-N 410.403 4.261 0 1 HIAF Cc1c(Cl)cccc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 220245871 NWPMOHMWNSDRJH-UHFFFAOYSA-N 421.931 4.436 0 1 HIAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)[C@H](C)CCc4ccco4)[C@H]3[C@@H]3O[C@@]132 299883288 RBCTULBZWUFMDN-SDSRSXQISA-N 401.547 4.058 0 1 HIAF Nc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cn1 587152884 FUCCLWVQJGWPSC-UHFFFAOYSA-N 417.473 4.219 0 1 HIAF C[C@@]1(c2ccc(NC(=N)N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339370 TUMVIUYQWLNKOJ-OFNKIYASSA-N 405.429 4.111 0 1 HIAF COc1cc(C=O)ccc1OC[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399832 KGDQRPKQCUDFEL-VWLOTQADSA-N 417.461 4.338 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C1)[C@@H](C2)C3=O 587442369 IOXROGAEORFDMY-PKKBDPGCSA-N 413.514 4.383 0 1 HIAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCN1CCOCC1 587511109 DLMHZXJHNVPGHT-XMMPIXPASA-N 408.542 4.022 0 1 HIAF CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525076 PNCZXTLRWAMVPE-WIOPSUGQSA-N 422.477 4.078 0 1 HIAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2nsnc12 587618321 NSGOLFAOLSLYQT-HTAPYJJXSA-N 419.462 4.166 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(C(=O)O)ccc23)N1 587804638 RVUQCRIIXKLFLR-DYBLOJMWSA-N 403.251 4.391 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587826253 DWFFYOZCXPOOBD-UGZDLDLSSA-N 408.267 4.302 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ncccn3)n2)N1 587851170 HLXZGUUUHDAFHT-PSLIRLAXSA-N 405.296 4.125 0 1 HIAF Cc1cc2c(cc1C)[C@]1(NCC3(CCOCC3)c3cccc(C(F)(F)F)c31)C(=O)N2 962961849 WPLAGOCDRHLFSH-JOCHJYFZSA-N 416.443 4.169 0 1 HIAF C[C@@]1(c2ccccc2OC(F)(F)F)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962964086 JIEVMPWKPJDKKZ-PXAZEXFGSA-N 421.749 4.379 0 1 HIAF COC(=O)c1nc(-c2cnc([C@@H](NC(=O)c3cccs3)C(C)C)s2)oc1C 1772583114 IKHDFMXWYNGMRH-ZDUSSCGKSA-N 405.501 4.082 0 1 HIAF CNc1cc(F)ccc1-c1cnc2n[nH]c(-c3cc(OC)c(OC)c(OC)c3)c2c1 1857552430 WGKJXMJVTMRJRS-UHFFFAOYSA-N 408.433 4.499 0 1 HIAF Cc1cc(C)cc(Oc2nccc(-c3c(C(C)(C)C)nnn3C3CCNCC3)n2)c1 1857586957 UEYSDZSVXOFXFI-UHFFFAOYSA-N 406.534 4.366 0 1 HIAF C=CC(=O)Nc1cccc(N=c2[nH]c(NNc3ccccc3)ncc2C(F)(F)F)c1 1911573317 PHJMJAMPVXOKEN-UHFFFAOYSA-N 414.391 4.224 0 1 HIAF CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@@H]1O3 13474840 LSMMQGJPNNFZFL-DEOSSOPVSA-N 420.509 4.375 0 1 HIAF CC(C)c1csc(CCc2ccnc(NC(=O)Cc3ccccc3C(=O)O)c2)n1 27422089 XRSRSMWLLPUVGO-UHFFFAOYSA-N 409.511 4.326 0 1 HIAF CCCN1C(=O)c2cccnc2[C@H]1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 29050957 AVYBVRKSMWGVLD-OAQYLSRUSA-N 410.481 4.078 0 1 HIAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(O)cc1 36189294 HMUJTAJHDZMXNI-GUCZTKFNSA-N 408.542 4.244 0 1 HIAF CO[C@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(C)=O)c(C)s2)C1 40011801 LYNTZTZGCPNFQC-ROUUACIJSA-N 413.543 4.171 0 1 HIAF COc1ccc2c(OCc3nnc4ccc(-c5cccc(F)c5)nn34)ccnc2c1 40953941 WBVUSUBFBIAVDP-UHFFFAOYSA-N 401.401 4.066 0 1 HIAF CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](O)C(C)(C)C 73168662 XHPNYYOUZWOWNT-AEFFLSMTSA-N 411.554 4.012 0 1 HIAF COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O 73279538 LGNZQRMYJQAMTQ-QFQXNSOFSA-N 417.549 4.421 0 1 HIAF c1ccc(CCCNc2ncnc3c2nc(-c2cccnc2)n3C[C@@H]2CCCO2)cc1 82179876 QYTKTZPTCLAULT-FQEVSTJZSA-N 414.513 4.112 0 1 HIAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 82219767 JDJLTCSJXHKDJD-CARQPFCESA-N 424.585 4.323 0 1 HIAF O=C(c1cnn2c1N(C(=O)Nc1ccccc1)[C@H](c1ccccc1)C2)N1CCCCC1 84538154 RKKIMLGSFUCYEN-NRFANRHFSA-N 415.497 4.303 0 1 HIAF C/C=C/C=C/C(=O)OC[C@H](OC(=O)/C=C/C=C/C)c1cc(OC)c(OC)c(OC)c1 95561360 OSHNITVOHGPILC-XIUYYCRVSA-N 416.470 4.105 0 1 HIAF COC1CCC2(CC1)Cc1ccc(-c3cccc(Cl)c3)cc1[C@]21N=C(N)N(C)O1 141843607 FBXRSVMHWHFIPB-ZUEZHPSSSA-N 411.933 4.483 0 1 HIAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 195147683 XXEYLJLVKQNJRK-HBFSDRIKSA-N 406.532 4.120 0 1 HIAF COC1CCC2(CC1)Cc1ccc(-c3cccc(Cl)c3)cc1[C@]21N=C(N)N(C)C1=O 201208568 ZGMXAXRVEMIDBS-PBSMCPNCSA-N 423.944 4.121 0 1 HIAF CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)/C=C(/C)C(F)(F)F)c3)c12 261142138 NGVKNOPLMMWQDK-XFFZJAGNSA-N 418.375 4.249 0 1 HIAF N[C@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(Br)cc1 586998183 YPZHPKCAMIKQBR-LLVKDONJSA-N 413.088 4.470 0 1 HIAF CC1=C(c2ccc3[nH]c(-c4ccc(-c5ccc(Cl)nn5)cc4)nc3c2)NNC(=O)C1 587087220 JLDNTDLLBSASCF-UHFFFAOYSA-N 416.872 4.096 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)ncc2[nH]1)c1cc(F)ccc1F 587140787 QLQGNPGJKOZAHK-UHFFFAOYSA-N 420.828 4.357 0 1 HIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587244878 NXIHHWIUEMFMQY-UHFFFAOYSA-N 401.348 4.116 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(F)ccc(F)c32)[C@@H]1c1ccc(F)cc1 587330869 GBEZRWFJSQDDON-VGSWGCGISA-N 411.335 4.016 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)c(F)c1)(c1ccccc1C(=O)O)O2 587385907 QVIYPPSXYVJMIL-QHCPKHFHSA-N 409.388 4.463 0 1 HIAF CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@]1(CO2)CC(=O)c2ccc3c(c2O1)CCCC3 587519112 UQHKPHQPKUPNSE-BJKOFHAPSA-N 413.514 4.069 0 1 HIAF COc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C 587655985 KDERSLBERREEDK-UHFFFAOYSA-N 406.388 4.347 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cnccn2)N1 587737097 WMKZIGCDMHIPSD-MPBGBICISA-N 416.269 4.343 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CN(C(=O)OC(C)(C)C)C2)N1 587758300 CTTPGZSBOKCILA-JEOXALJRSA-N 413.331 4.205 0 1 HIAF CC(=O)OC12CC3C[C@@H](C1)C1(N[C@@H](C)Cc4ccc(F)c(Br)c41)[C@@H](C3)C2 587807461 CNDIFPMEWXMWKZ-PVIRNKOQSA-N 422.338 4.460 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nc2ccccc2n1C 587872698 RNJJGCGCGAOWTE-UHFFFAOYSA-N 410.474 4.407 0 1 HIAF Fc1cnc(Nc2cccc(N3CCOCC3)c2)nc1Nc1c(F)cccc1F 653749411 ZNQWJLREBSRVBU-UHFFFAOYSA-N 401.392 4.218 0 1 HIAF CCCCN1CCN(c2snc3cc(-c4ccc(OC)c(OC)c4)cnc23)CC1 653766339 QJAHGJUMQCWQIA-UHFFFAOYSA-N 412.559 4.298 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@]3(Cc1nc2ccccc2[nH]1)C(F)(F)F 963039348 VAGRCUQMBWHEGR-OAQYLSRUSA-N 412.415 4.266 0 1 HIAF O=C(O)c1cccc2c1CCN[C@@]2(C[C@H]1CC[C@@H](C(=O)O)CC1)c1ccc(F)cc1 963136559 ZNCJAKGMRKTKBX-DXMSMQRWSA-N 411.473 4.194 0 1 HIAF CC(C)(CN1CCCC1)[C@@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963190466 XTBVYPVWJDPJKD-JKSUJKDBSA-N 404.860 4.121 0 1 HIAF COc1ccc2cc(CC[C@@]3(C)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)ccc2c1 963527962 RJGAOYBOKRNWPJ-SQJMNOBHSA-N 405.494 4.309 0 1 HIAF C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(N3CCC4(CCNCC4)C3=O)c(F)c2)CC1 1772636415 LZAFNRKWZXDHQV-ZJOUEHCJSA-N 413.581 4.443 0 1 HIAF CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(C)ccc3n(CCC)c2=O)cc1 1772657877 CBDWGNBITJLFQB-UHFFFAOYSA-N 422.481 4.245 0 1 HIAF Cc1ccc(Nc2nc(C)c(C(=O)c3c[nH]c(=N)n3-c3ccc(F)cc3)s2)cc1 1857765435 SLCQGVYCGLPZTK-UHFFFAOYSA-N 407.474 4.472 0 1 HIAF CSc1cccc(NC(=O)NC[C@@H]2C[C@H]3CCN2C[C@@H]3CN(C)c2ccccc2)c1 2356298172 ZNVZYRGDFZIKFP-DXIQSLLYSA-N 424.614 4.377 0 1 HIAF CCn1c(C(=O)N2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)cc2sccc21 4143318 WCWAVFAPFPKZMA-LJQANCHMSA-N 423.582 4.324 0 3 HIAF CCCN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2119589 HSOKUAPWFYDLKG-BXKMTCNYSA-N 421.928 4.263 0 1 HIAF biogenic COc1c2c(c3ccoc3c1OC)O[C@H](c1ccc3c(c1)OCO3)[C@H](OC)[C@@H]2OC 13376248 GOCVYXVPIUFXNU-BSIFCXSSSA-N 414.410 4.015 0 1 HIAF biogenic O=C(N[C@@H](CO)c1cccc(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959259 MHZXYMWATGIBPO-FQEVSTJZSA-N 424.863 4.328 0 1 HIAF COCCOCCOCCSc1cccc(CNc2nc3ccccc3[nH]2)c1C 27434619 GGHANZZGDIKADR-UHFFFAOYSA-N 415.559 4.255 0 1 HIAF CC(=O)Nc1ccc(C(=O)Cc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 29395828 ZQLDYDUECCYXNE-UHFFFAOYSA-N 411.461 4.078 0 1 HIAF C[C@H](O)[C@@H](C)C(=O)c1c(O)c2c(c3c1OC(=O)C[C@H]3c1ccccc1)OC(C)(C)C=C2 33830046 LPOJHKDMSLEMHR-KEYYUXOJSA-N 422.477 4.217 0 1 HIAF biogenic Fc1ccc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1 40873373 SDNIEOMSMZTJNX-UHFFFAOYSA-N 403.259 4.334 0 1 HIAF O=C(O)c1cn(Cc2ccc(-c3ccc(Cl)cc3)cc2)c2c(c1=O)[C@@H](O)CCC2 49071441 OTVPDXFBIBWKAI-FQEVSTJZSA-N 409.869 4.285 0 1 HIAF CNC(=O)c1csc2cc(Oc3ccnc4cc(C5=NCCN5C)sc34)ccc12 64559387 CDHZKYJMFPYMBV-UHFFFAOYSA-N 422.535 4.355 0 1 HIAF Nc1cccc(/C=C/C(=O)NCCCCC2CCN(C(=O)c3ccccc3)CC2)c1 71296404 SJCTZWFGBBKGOG-OUKQBFOZSA-N 405.542 4.121 0 1 HIAF CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2CCc1ccccn1 82196799 UMOPZPILXAXUOX-UHFFFAOYSA-N 402.502 4.439 0 1 HIAF Cc1nc([C@@](C)(CC2CC2)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)no1 149219018 VUVMQFRHLXTLHC-LJQANCHMSA-N 424.423 4.037 0 1 HIAF C[C@@H]1CN(c2cccc(Cl)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 473104907 PSGGQNSMUNJSKW-GFCCVEGCSA-N 403.269 4.385 0 1 HIAF N[C@@H](N=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586961926 ZDVIOKCCSJSVPY-PZGXJGMVSA-N 404.495 4.325 0 1 HIAF O=C(CSCc1nc2cc3cn[nH]c3cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587113361 IEZCZEQUMYJUBD-UHFFFAOYSA-N 405.405 4.330 0 1 HIAF COc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(I)c1 587180164 OAHAKUNHCJQIQL-UHFFFAOYSA-N 419.144 4.257 0 1 HIAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587204409 XTVMHKXUZXSORY-AWEZNQCLSA-N 408.241 4.312 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cnn[nH]2)[C@H]1c1ccc(F)cc1 587332872 KFZRJVAWNJLYLI-JTHBVZDNSA-N 419.387 4.091 0 1 HIAF COc1cccc(OCCn2cccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587431923 RRXGIDICGAZFKW-DVECYGJZSA-N 405.450 4.073 0 1 HIAF CC[C@@]1(c2ccc(C(=O)OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595350 RIMQZMTZFXVZDJ-RDPSFJRHSA-N 404.418 4.446 0 1 HIAF CCCOc1ccccc1[C@]1(CN)N[C@@H](C)Cc2cc(Br)c(F)cc21 587749727 QHZIFWZJBPHILP-RBZFPXEDSA-N 407.327 4.114 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(=O)n(C)c3ccccc23)N1 587766094 FBYKXNHGYSKCMJ-GIPWTMENSA-N 401.279 4.064 0 1 HIAF COc1cccc(OCc2ccc(-c3nc4cc(S(C)(=O)=O)ccc4[nH]3)cc2)c1 587781456 KARRFSAOEHKTBE-UHFFFAOYSA-N 408.479 4.221 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C(=O)O)c3ccccc32)N1 587826329 KLTGJDIODVJAMY-GIQGCJHYSA-N 404.279 4.328 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN(C)C(=O)OC(C)(C)C 587862732 WZKNWOQXJPQQSV-UHFFFAOYSA-N 413.396 4.085 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cn2ccsc2n1 587864892 SLDPVTQWRXENGA-UHFFFAOYSA-N 406.389 4.170 0 1 HIAF O=C(c1ccnn1COc1ccccc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587873935 MNWBTJSBDJXBJM-UHFFFAOYSA-N 410.792 4.370 0 1 HIAF COC(=O)C[C@@H]1N=C(c2ccc(Cl)c(C)c2)c2cc(OC)ccc2-n2c(C)nnc21 653699429 KQYXEGKZGKVXKA-SFHVURJKSA-N 424.888 4.001 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ncccn3)nc(Cl)c2C)s1 653808428 QQBPTGOPJQLVTM-KGLIPLIRSA-N 416.938 4.096 0 1 HIAF Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H](CO)c4cccc(Cl)c4)cc23)ccn1 653849897 OMKSHRGIEVKCAP-FQEVSTJZSA-N 406.873 4.050 0 1 HIAF CCOC(=O)CCC(=O)Nc1ccc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963101881 MIWNBZNQHSSMNX-PXDATVDWSA-N 424.516 4.392 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@]5(CC[C@@]43C)NCCc3ccc(O)cc35)[C@@H]1C[C@H](O)[C@@H]2O 963344165 ZTUUMTBXIXBZDG-WWLMFWJOSA-N 423.597 4.028 0 1 HIAF CC1=C(Cl)CC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)C(C)C)c1O 1772630652 JSSICZBNLHQOAH-GFCCVEGCSA-N 407.319 4.024 0 1 HIAF COc1ccccc1-c1nnc(Nc2ccc(C(C)(C)C(N)=O)cc2)c2c1CCC2 1857548958 DIODUFSOJPNODA-UHFFFAOYSA-N 402.498 4.147 0 1 HIAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCCN)c1 1857601272 RHDFHWYPNJABRA-GOSISDBHSA-N 418.541 4.399 0 1 HIAF COc1ccccc1OCCNC[C@@H]1OCCOC1(c1ccccc1)c1ccccc1 1857603244 XPLYYMRQGCFSNB-VWLOTQADSA-N 419.521 4.023 0 1 HIAF CC(C)(C)OC(=O)N1CC=C(c2nc(COc3ccc4c(c3)OCO4)cs2)CC1 1911570567 NFCHWMHZJLSRJA-UHFFFAOYSA-N 416.499 4.475 0 1 HIAF C[C@H]1CC(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@]46C[C@@H](O)[C@]3(C)[C@H]12 2356495510 UMLHBLLBOOEXQG-KXYKXKBQSA-N 416.602 4.319 0 1 HIAF CCC[C@@]12Cc3c(OC)ccc(OC)c3C[C@H](Cc3c(OC)ccc(OC)c31)C2=O 1616124 BQKDLEQJNGWSHS-SGANQWHYSA-N 410.510 4.299 0 1 HIAF Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 20215838 XUBITEXULGDBIL-UHFFFAOYSA-N 419.890 4.306 0 1 HIAF O[C@H]1CCCC[C@H]1N1CCC(CCCC2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 28238048 OTKJKWJZVZDXKV-NGSHPTGOSA-N 406.655 4.188 0 1 HIAF CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CC(F)C1)c1ccccc1 28827236 AAZUAUBSXQGDCG-QHCPKHFHSA-N 415.459 4.251 0 1 HIAF CCC(=O)Nc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(C)c(C)c1 40567727 GBYGZYDTFFMMED-UHFFFAOYSA-N 409.530 4.270 0 1 HIAF COC(=O)c1ccc(NC(=O)Nc2cccc(CCNCc3ccccc3)c2)cc1 45323703 LCPMFJJHTCYELP-UHFFFAOYSA-N 403.482 4.450 0 1 HIAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@]1(C)c1cccc(C(F)(F)F)c1 73167312 ZUDXFSXGZSJDTO-RTWAWAEBSA-N 422.399 4.278 0 1 HIAF C[C@@H]1Oc2cccc3c(=O)c(C(=O)NC4CCCCC4)cn(c23)[C@@H]1c1ccccc1 95555441 FXXPMGSAZPNOGM-AOMKIAJQSA-N 402.494 4.434 0 1 HIAF CC1=C[C@@H]2[C@@H]3C(=O)N(NC(=S)Nc4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C 169309978 QIJAKJCZCKPPNN-SFFUCWETSA-N 417.962 4.011 0 1 HIAF C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(CC3CC3)o2)C1=O 169311896 KNZGTCDSRPFFDS-VOIUYBSRSA-N 417.465 4.200 0 1 HIAF Nc1ncnc2c1C(=O)N(c1ccc(-c3ccc(C(F)F)cc3Cl)cc1)CCO2 169324824 BJIFTNREQSNBEA-UHFFFAOYSA-N 416.815 4.356 0 1 HIAF Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc12 169342734 LJRBXGZFMWMQNY-DLBZAZTESA-N 402.502 4.138 0 1 HIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 586957781 FCKSHBSCHSSWJY-BVGQSLNGSA-N 416.934 4.306 0 1 HIAF CN(C)C(=O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587164250 ZLHMEDSDYKJEFP-UHFFFAOYSA-N 402.429 4.323 0 1 HIAF Cc1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1C 587169789 KVKPOEXDWJWBIR-OAQYLSRUSA-N 409.486 4.387 0 1 HIAF C[C@]1(c2cccc(Br)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548816 VSLKGSUELXOILC-FXAWDEMLSA-N 412.239 4.427 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(F)cc2)c1 587569721 JADIHOZPPZYUHO-NZQKXSOJSA-N 402.381 4.420 0 1 HIAF CN1CCCc2cc(C=O)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 587591431 FJEVNANGEDFZFN-OFVILXPXSA-N 415.445 4.290 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615278 XAPAQXBPXYLLOX-WMZHIEFXSA-N 419.458 4.313 0 1 HIAF C[C@@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651940 SAXZTFICAQGUPI-SNVBAGLBSA-N 412.751 4.056 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3=O)cc2)N1 587768080 SRVXIQKQWDVKQH-FKIZINRSSA-N 403.295 4.339 0 1 HIAF COc1cc2c(cc1OC)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587804360 BAALODONGFQTFC-BIBXISHDSA-N 406.295 4.329 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(N)=S)c2)N1 587847015 VWVBXZAAUMIQGR-MGNBDDOMSA-N 408.340 4.041 0 1 HIAF O=C(O)c1cc(F)cc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962948618 BCIXLZUHKNQCEV-GOSISDBHSA-N 409.379 4.284 0 1 HIAF Cc1ccnc2c1CCN[C@]2(c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 963071823 LJOZYPVFQKGOLD-RUZDIDTESA-N 407.558 4.426 0 1 HIAF Cc1ccc(N(C)c2ccc([C@@H]3N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)cc2)cc1 963521834 CLTUXSFZGIXQHQ-UPVQGACJSA-N 402.494 4.465 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2F)C(=O)OC)cc1 1772598356 QNKCEDCTEODDMZ-OPAMFIHVSA-N 401.478 4.214 0 1 HIAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)c4ccco4)nc3[C@H](C)[C@@H]21 2356638039 PNAPMQNOFRGBAP-TVFHLIPMSA-N 400.500 4.242 0 1 HIAF COC(=O)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)C[C@@H]1C[C@H]3O 2356808754 AJOPHDUNANPFKQ-WYBJBJJYSA-N 404.591 4.342 0 1 HIAF O=C(c1ccc(O)c2ccccc12)c1cn(CCN2CCOCC2)c2ccccc12 13742584 CTEQWDXFCZEIGS-UHFFFAOYSA-N 400.478 4.063 0 1 HIAF O=C([C@@H]1CCCN1)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 13795484 RTXXHDKZVSNDOF-PMACEKPBSA-N 400.415 4.038 0 1 HIAF COc1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C1CCCC1 14945405 AUTHYXJRHKFPPK-UHFFFAOYSA-N 403.530 4.449 0 1 HIAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCC(C)C)CC(=O)N32)cc1 15953622 VZUGWTAVVSNFNP-RCZVLFRGSA-N 415.537 4.207 0 1 HIAF biogenic C[C@]12[C@@H](CC=C3C(=O)OC[C@@H]31)[C@]1(C)CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]1C[C@H]2O 28969499 LXWMXTKOJPFGPW-NFXGRNOLSA-N 402.575 4.098 0 1 HIAF in-vivo CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(N(C)C)cc4)no3)cc12 40565259 ANHAYCHRLRNJNI-UHFFFAOYSA-N 403.530 4.173 0 1 HIAF O=C1S/C(=C\c2ccc(-c3nnn[nH]3)cc2)C(=O)N1c1cccc(C(F)(F)F)c1 42920580 VQXATJPUTOVSBQ-ZSOIEALJSA-N 417.372 4.126 0 1 HIAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C1CCCCC1 68196909 FREXQSXQFGJSPD-UHFFFAOYSA-N 415.490 4.145 0 1 HIAF Cc1cccc([C@@H]2CCCN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1 95576265 VKFPWZLNKLOFMP-IEBWSBKVSA-N 405.546 4.484 0 1 HIAF CC(=O)Nc1ccccc1-c1cccc(-c2cc(=O)cc(N3CCOCC3)s2)c1 101074924 QEDWSIGSYUVFLX-UHFFFAOYSA-N 406.507 4.237 0 1 HIAF Cc1nc(-c2cncc(Cc3ccccc3)n2)sc1C(=O)NCc1ccccc1 103236121 SNSYNTMEUZSUJK-UHFFFAOYSA-N 400.507 4.429 0 1 HIAF FC(F)Oc1cccc(-c2nc3nc(N4CCO[C@H](c5ccccn5)C4)ccc3[nH]2)c1 221407824 KRSKZXZSFVPJGD-SFHVURJKSA-N 423.423 4.199 0 1 HIAF Cc1nc(-n2nc(Cc3ccccc3F)c3cc(F)ccc32)nc2c1C(C)(C)C(=O)N2 223428280 OXCLPNOIPVJMMC-UHFFFAOYSA-N 419.435 4.223 0 1 HIAF Cc1ccc(Cn2nc(C(=O)NN3CCCCC3)c3c2-c2c(C)csc2C3)cc1 299830787 OUGRFBXRHDXRCR-UHFFFAOYSA-N 406.555 4.312 0 1 HIAF CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2ccco2)C1 299882486 PVBZQROJRCDVBX-LFALDJFMSA-N 416.562 4.107 0 1 HIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)s1 299883379 RGEAXXYTQNLHHS-JBNXCWKJSA-N 403.500 4.073 0 1 HIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)cc1 586930907 KDWWYAVXHSBPHW-UHFFFAOYSA-N 412.902 4.412 0 1 HIAF CCOc1cc2oc(=O)c(-c3nc4ncc(F)cc4[nH]3)cc2cc1Br 586999216 WFSOCBJXWUVEOQ-UHFFFAOYSA-N 404.195 4.032 0 1 HIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587114334 ZAITXFDYEKFFJP-INIZCTEOSA-N 416.325 4.395 0 1 HIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)ncc3[nH]2)c1 587200956 SBLPTZLVYJKWDA-UHFFFAOYSA-N 416.279 4.237 0 1 HIAF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3ccc(N)cc3)[nH]c2c1 587251732 MGWHKEVPBCZKSQ-JYRVWZFOSA-N 420.494 4.125 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)ccc(F)c32)[C@H]1c1ccc(F)cc1 587330863 GBEZRWFJSQDDON-HTAPYJJXSA-N 411.335 4.016 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CC[C@@H](NC(=O)OCc3ccccc3)CC1)O2 587386082 HLAAYFGHAXKJJL-SVMVAKDDSA-N 408.498 4.396 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@]13CCN(C(=O)OCc1ccccc1)C3)O2 587401136 SQUPQSRNOXJLKC-DNQXCXABSA-N 406.482 4.104 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(CCCN1C(=O)c3ccccc3C1=O)CC2=O 587477455 RIWKGZNXYJXCTC-XMMPIXPASA-N 407.466 4.145 0 1 HIAF COc1ccc([C@@]2(CCn3cncn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517191 IRFPBKZDDAASSA-XMMPIXPASA-N 403.482 4.117 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@H]2N(Cc2ccccc2)C1 587585589 DXLMYAYFBJBJSG-BXAZGIKQSA-N 413.473 4.387 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H]1CCCCN1 587590815 AWZCKCILIPQPQE-HWBMXIPRSA-N 401.462 4.391 0 1 HIAF COC(=O)CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591060 FQMUAFJKQGHVAP-XUZZJYLKSA-N 404.418 4.203 0 1 HIAF COCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587593412 CQXGSKUSHBAFJZ-URXFXBBRSA-N 406.434 4.294 0 1 HIAF O=C(CCC(=O)n1ncc2ccc(Cl)cc2c1=O)Nc1ccc(Cl)cc1Cl 587651791 ZWAVFKYDRYWKCV-UHFFFAOYSA-N 424.671 4.416 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)s2)N1 587852147 DKOMPHBWJPUETN-QTTZVWFDSA-N 406.118 4.431 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCNC(=O)OC(C)(C)C 587862816 XGNOGLTYDWSMBI-UHFFFAOYSA-N 413.396 4.133 0 1 HIAF CC(C)(C)OC(=O)N1CC2(C1)C[C@@]1(CO2)NCCc2cccc(-c3ccccc3)c21 962659301 FQROUZCYAQZTIF-VWLOTQADSA-N 406.526 4.104 0 1 HIAF CSC[C@@]1(C(F)(F)F)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172578 DDMKMFHUCJVNMK-ZYHUDNBSSA-N 407.763 4.078 0 1 HIAF CCCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OCC)cc1 1857541389 QLIGPARKQRQUKT-UHFFFAOYSA-N 413.923 4.361 0 1 HIAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)cc2CO)C1 1857584141 SXFHODSMTGHVII-LJQANCHMSA-N 403.482 4.184 0 1 HIAF CC1=CC[C@@H]2[C@H]([C@H](C)C(=O)O)CC[C@]2(C)C[C@H](O)[C@](C)(O)CC=C2[C@H]1CC[C@@]2(C)O 2356588609 BKGYJGMVRKCUQI-OOAWWAGKSA-N 420.590 4.069 0 1 HIAF CC1=C[C@H](CNC(=O)N2CCOCC2)[C@@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356752465 RXZLOVVFNFNQRS-NJDAHSKKSA-N 424.589 4.310 0 1 HIAF CC[C@H](C)C=C(C)c1cc2cc3c(c(O)c2cn1)C(=O)[C@@](O)(CC(C)=O)C(OC)=C3 2356871884 YMENRVORZPDFTB-RKNYENMMSA-N 409.482 4.284 0 1 HIAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 61930273 BGPSPPSRTRDFDQ-DEOSSOPVSA-N 412.961 4.487 0 3 HIAF Cc1cccc(-c2cccc3[nH]c4c(c23)CCN2C(=O)[C@H]3[C@H](C)ON(C)[C@H]3C[C@@H]42)c1 169305277 MWBVCNUNNFDYFS-JNHSIYEJSA-N 401.510 4.223 0 3 HIAF Cc1cc(=O)oc2cc(OC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)ccc12 2114655 NFSFOOAQIYWIKL-UHFFFAOYSA-N 415.486 4.338 0 1 HIAF biogenic CCOc1cccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCOC)c1 2482146 HMLTVEUXXBVWIA-UHFFFAOYSA-N 400.862 4.437 0 1 HIAF O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1cccc(C(F)(F)F)c1 9413647 AXGAOBZUHILOCI-LJAQVGFWSA-N 423.391 4.045 0 1 HIAF CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 20580809 CNDGCNNYFOJQHL-UHFFFAOYSA-N 402.419 4.243 0 1 HIAF CCN(CC)C(=O)c1ccc([C@@H](c2cccc3ccccc23)N2CCNCC2)cc1 22939815 GDQOGZJEMVCJCK-VWLOTQADSA-N 401.554 4.316 0 1 HIAF COc1ccc2c(c1)c1c(n2S(=O)(=O)Cc2ccccc2)CCC[C@H]1CN(C)C 28103391 LWNYVECHJPKUMF-SFHVURJKSA-N 412.555 4.010 0 1 HIAF O=C(O)c1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21 28241603 LTDNHHNREZBZMS-JOCHJYFZSA-N 409.445 4.267 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@]4(C)[C@@H]3CC[C@]12C 34801249 JPOAJVXSZNVFCE-OGHFDXHSSA-N 406.586 4.282 0 1 HIAF Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1/C=C/n1cnc2cncnc21 43016058 KILAESXRGZQREB-FNORWQNLSA-N 424.386 4.429 0 1 HIAF Cc1cccc(NC(=O)c2cnc(N3CCN(c4ccncc4)CC3)c(Cl)c2)c1 45339321 JFICPUKVBOOVFJ-UHFFFAOYSA-N 407.905 4.017 0 1 HIAF Cc1cc(C)nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c1 96172455 ZXINXDXOHKEVLN-NQIIRXRSSA-N 415.541 4.179 0 1 HIAF Cc1ccc(Oc2ccc(S(C)(=O)=O)cc2-c2cn(C)c(=O)c3[nH]ccc23)cc1 146400294 VAJKJBSCCKXWGD-UHFFFAOYSA-N 408.479 4.038 0 1 HIAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC4CCOCC4)cc3)oc2c1 168983848 AVNUMLOZGYUZOY-HNNXBMFYSA-N 419.481 4.303 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@@]12C 169713464 WNENMRZSIGSSCW-LGPUQSSESA-N 400.607 4.190 0 1 HIAF CC[C@@H](C)CNC(=O)c1cncc(-c2ccc(CN(C)C3CCN(C)CC3)cc2)c1 206766756 VPNFSCMJTRNDRE-LJQANCHMSA-N 408.590 4.051 0 1 HIAF Cc1cc(-c2cnc(OCC(C)(C)C(=O)O)nc2)ccc1-c1ncc(C(F)(F)F)[nH]1 218558508 YETSCKHTYWDUKA-UHFFFAOYSA-N 420.391 4.351 0 1 HIAF O=c1c2cc(OCCCN3CCCCC3)ccc2nc2n1CCCc1ccccc1-2 299830724 PFYRGBJRPBPVMS-UHFFFAOYSA-N 403.526 4.265 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3 586935384 GTZVBSDARCOCQG-LJQANCHMSA-N 415.584 4.214 0 1 HIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)c1C 586947436 OKKWKHMXHHTDEA-UHFFFAOYSA-N 421.478 4.346 0 1 HIAF CC(C)COc1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Br 586969845 OVHIXFYEWQQQEV-UHFFFAOYSA-N 408.321 4.286 0 1 HIAF COc1cc(Br)c([C@H](N)c2nc3cc(Cl)cc(C)c3[nH]2)cc1OC 586975274 LLZPNFUXQLHFIG-HNNXBMFYSA-N 410.699 4.353 0 1 HIAF Cc1c(Br)cnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587003879 OXRRKTQTJOVGOL-UHFFFAOYSA-N 407.069 4.335 0 1 HIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587092657 ACHVPFZNQXLRLN-YFKPBYRVSA-N 418.135 4.474 0 1 HIAF CC[C@H](c1nc2cccc(Cl)c2[nH]1)n1cc(I)c(C)n1 587186206 USTPSIKZSQLGAK-GFCCVEGCSA-N 400.651 4.325 0 1 HIAF Ic1cnc2ccc(-c3nc4cnc5ccccc5c4[nH]3)cn12 587188121 OAVWFQGJGZXYLX-UHFFFAOYSA-N 411.206 4.030 0 1 HIAF C[C@@]1(c2cccc(NC(=N)N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340063 UYIXLJYNYCSIBX-OFNKIYASSA-N 405.429 4.111 0 1 HIAF CCOC(=O)C[C@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358222 WEYUGYRESZPXDO-FYYLOGMGSA-N 410.397 4.332 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@@H](C(=O)O)[C@H]2C3)c1 587363640 RUULZRFZICCIKO-BKTORNKPSA-N 414.461 4.044 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccc(F)cc1C(=O)O)O2 587384421 CXINHLIPNHRRTK-HSZRJFAPSA-N 409.388 4.463 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(CC(=O)OCC)c1F)CC2=O 587466629 MVTADYIZJWTPMF-QHCPKHFHSA-N 400.446 4.470 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCN1C(=O)OCc1ccccc1)CC2=O 587477308 QJPVHFBKQAZRLZ-SIKLNZKXSA-N 409.482 4.480 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(F)c(Br)cc12 587508436 PJWBASIUQQGVRY-HXUWFJFHSA-N 416.246 4.280 0 1 HIAF C[C@@]1(c2ccc(NC(=O)/C=C\C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514944 YODHTAXTYYBCBR-UMHMGIAYSA-N 405.450 4.025 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cnc1F 587569871 NAWVKLZEXFQZSM-QAPCUYQASA-N 416.202 4.392 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590438 YKARYDJDXDCICG-DDWBYRHVSA-N 423.465 4.122 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587601392 DEMYAGNAUXODHX-NLVPASEKSA-N 406.434 4.004 0 1 HIAF CN(C)C(=S)Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587614947 VWSKSPBSKMCPLC-SIKLNZKXSA-N 421.474 4.320 0 1 HIAF O=C(O)c1csc2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619412 SGEOMLZIMHMFQA-HTAPYJJXSA-N 408.431 4.345 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccc(C(F)(F)F)n1 587656053 VGHVRZSKTKZCST-UHFFFAOYSA-N 404.298 4.140 0 1 HIAF CCOC(=O)[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587732503 NMZAKMFYGVRFTM-JEOXALJRSA-N 410.258 4.068 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCCN(C)C)c2)N1 587738941 DOAOUGNUQWYUFK-QKKBWIMNSA-N 421.354 4.326 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCCc2ccccc2)N1 587756608 RIKXHWPUYXYVCH-QKKBWIMNSA-N 419.338 4.087 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(N)=S)c2)N1 587846620 VCHSAIBZKZDLHE-XTZNXHDOSA-N 408.340 4.041 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(OC)c(OC)c1 587873321 YXDGZAUQEGOZNV-UHFFFAOYSA-N 401.463 4.350 0 1 HIAF C=C(C(=O)O)c1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O 587941493 PIMZCFLEDAWDMB-UHFFFAOYSA-N 401.802 4.441 0 1 HIAF NC[C@@]1(c2ccccc2Cl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640544 QXHJNPLPQWJTJB-OFVILXPXSA-N 403.957 4.289 0 1 HIAF CC(=O)OC[C@]1(c2ccc(Cl)cn2)c2ccsc2CCN1Cc1ccco1 962705251 KSUXZSMPRNVEOU-HXUWFJFHSA-N 402.903 4.255 0 1 HIAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@]1(CSC[C@H]1C)N2C(=O)OC(C)(C)C 962711767 QFIRBPJYUOTZBQ-DZKUTHLPSA-N 421.534 4.055 0 1 HIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(F)c(F)c2)C(=O)OC)cc1 1772593640 WTWYYKXYDNUHTD-OYHNWAKOSA-N 419.468 4.353 0 1 HIAF CCCN(CCCCOc1ccc2c(C=O)cnn2c1)[C@H]1CCc2c(O)cccc2C1 1772625415 NWVXCTHMKYPUKK-NRFANRHFSA-N 421.541 4.281 0 1 HIAF CC[C@H](CO)c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(C)cc(C)nc1O)CC2 1772646876 JJVNTPVKPJMUOA-CYBMUJFWSA-N 423.340 4.395 0 1 HIAF CCC(C)=CC(=O)O[C@@H]1C=C2[C@H](OC)O[C@H](OC(C)=O)[C@H]3CC[C@H]4C(C)(C)[C@H]1C[C@@]234 2356437547 WYBPMCYBIZBVKA-GFVDGJHGSA-N 418.530 4.145 0 1 HIAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NCc2ccco2)C1 4077203 KVYMRHGEJRJURF-QGZVFWFLSA-N 413.905 4.425 0 3 HIAF COc1cc(NC(=O)Nc2nc([C@H](N)C3CCCCC3)cs2)cc(OC)c1OC 61902972 ZOWYVOIKGMNPPB-QGZVFWFLSA-N 420.535 4.393 0 3 HIAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1OC 771776 NPJQGKYGCVXUIF-JTHBVZDNSA-N 420.465 4.095 0 1 HIAF O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773463 GRPXEWSQKHLYBJ-OAQYLSRUSA-N 416.452 4.481 0 1 HIAF C[C@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 8662562 JZCHBJSHYLEUPN-UXEPBGEESA-N 420.391 4.442 0 1 HIAF Clc1cccc(Nc2cncc(-c3cncc(NCCCn4cncn4)c3)n2)c1 13648417 QGAMKOCDVQJIEP-UHFFFAOYSA-N 406.881 4.029 0 1 HIAF CCC(=O)N(c1ccccc1)C1(COC)CCN([C@H](C)[C@H](O)c2cccs2)CC1 27980047 OZSJJACQMYZOPH-GCJKJVERSA-N 416.587 4.094 0 1 HIAF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(N)c1 36189214 GXYDBTCLBZLDRJ-MUNABGDISA-N 407.558 4.121 0 1 HIAF Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@H]2CCCN(C3CCC3)CC2)cc1 40938801 QILACADJNNDLKC-NRFANRHFSA-N 403.526 4.480 0 1 HIAF CCCCCCOc1ccc(C(=O)CCN(C)C)cc1I 43066768 AEJPAZYWEGTVRS-UHFFFAOYSA-N 403.304 4.385 0 1 HIAF CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2O[C@H](C)C(=O)O)c(C)c1 71331808 UTDANZPJNOWLLZ-GFCCVEGCSA-N 416.417 4.326 0 1 HIAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@H]1c1ccccc1C(F)(F)F 73141801 MGHXJPGFHCEQPA-QUCCMNQESA-N 408.372 4.104 0 1 HIAF O=C(NCCOc1ccccc1)[C@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82195697 QYQFZTGZTLAVGS-HXUWFJFHSA-N 411.502 4.113 0 1 HIAF Cc1cc(Cl)ccc1C(=O)Nc1ccc(Cn2nc(C)c(CC(=O)O)c2C)cc1 141614313 JLEUFUAAWXNUMH-UHFFFAOYSA-N 411.889 4.389 0 1 HIAF CS(=O)(=O)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1 146310652 VCZPAUZUTMEULW-UHFFFAOYSA-N 422.472 4.221 0 1 HIAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(Br)cnc(Br)c3[nH]1)C2 586888751 XYNJIMAFHYOBSA-CIUDSAMLSA-N 411.097 4.122 0 1 HIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Br)cc2[nH]1 586974699 XIPCHRDFYJTQNE-QGZVFWFLSA-N 404.333 4.436 0 1 HIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(F)cnc(Cl)c3[nH]2)cs1 587019534 PLPHPKFDDBAQNQ-UHFFFAOYSA-N 402.842 4.442 0 1 HIAF COc1cc(-c2nc3ccc(I)cc3[nH]2)cc(Cl)c1O 587045618 ACOBBFYWRWVTPH-UHFFFAOYSA-N 400.603 4.202 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3cc(F)cc(Br)c3[nH]2)C(F)(F)F)n1 587094307 PEBLMVDWFKRCOR-ZDUSSCGKSA-N 424.217 4.222 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Br)cc3[nH]2)C(F)(F)C1 587132229 NOHSUXKSCRFWMB-SNVBAGLBSA-N 402.239 4.295 0 1 HIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cncc(Br)c4[nH]3)c2)c1 587232177 MPLDPPQZFFIMQH-UHFFFAOYSA-N 421.298 4.338 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587232485 XTYBMFIVDMRMCW-GHMZBOCLSA-N 403.832 4.272 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ccnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587240754 VYRDTEHNQRZZKE-FYYVMTAXSA-N 406.914 4.166 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)CCC(=O)O)(c1ccc(Cl)cc1)O2 587379723 WIRMWNSSIQJTEA-JOCHJYFZSA-N 415.873 4.305 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCOc4cc(Br)ccc41)[C@@H](C2)C3=O 587416678 FCJVJCZMUQUIDL-YWZLYKJASA-N 401.256 4.273 0 1 HIAF COc1cc2c3c(c1)O[C@H]([C@H]1CCCCN1C(=O)OCc1ccccc1)[C@@H](C2)C3=O 587439886 XDECJEWBOGYFFY-YYDVJCTNSA-N 407.466 4.003 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OCc4ccccc4)CC14CC4)[C@@H](C2)C3=O 587445778 YCRJTQGZLPVEPW-UQBPGWFLSA-N 419.477 4.004 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccccc1C)CC2=O 587480453 JXCRDCRENJKCAW-DEOSSOPVSA-N 410.466 4.036 0 1 HIAF O=C1C[C@@](CN2C(=O)CCC2=O)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587501619 BUAREJYTKLHFIJ-XMMPIXPASA-N 423.896 4.229 0 1 HIAF Cc1cc(Cl)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587551992 MAEOEFKYMVZYTC-JTSKRJEESA-N 407.809 4.163 0 1 HIAF Cc1[nH]nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Br 587684650 ZKIZEDUCVBNFRM-DAZKTRTLSA-N 403.093 4.006 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(Cl)cc3)nn2)N1 587693323 DLJNEUOAYDQZBZ-MGNBDDOMSA-N 421.701 4.446 0 1 HIAF CCO[C@H](C)c1ccc([C@@]2(CN)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587750302 SNLONQLVWWXIIF-ZMOMAAQPSA-N 421.354 4.422 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnccn2)(c2ccccc2)N1 587774102 LJTBHHZHHMRYBK-SPLOXXLWSA-N 412.306 4.399 0 1 HIAF COc1ccc([C@]2(/C=C\C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587805054 CZEUDGRNJYPGER-QGUCAZSISA-N 420.278 4.015 0 1 HIAF COc1ccc(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)cc1OC 587929258 UIBQLXXDLYCGBR-UHFFFAOYSA-N 411.259 4.418 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2cc(F)c(F)c(F)c2)N1 962928053 QRQGBBGOWZNZNQ-FPOVZHCZSA-N 415.367 4.290 0 1 HIAF COc1ccc([C@]2(c3cccs3)NCCc3cc4cccc(OC)c4nc32)cn1 963041728 YLQNLOIMYZZNTN-HSZRJFAPSA-N 403.507 4.146 0 1 HIAF Cc1ccc(C)c([C@@]2(c3ccc(C)nc3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963239583 XHRWYFOYIUKTCO-XNMGPUDCSA-N 423.516 4.446 0 1 HIAF NC(N)=C[C@@]1(C2CCCCC2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830888 DCCPZRHZVLJVNI-SANMLTNESA-N 416.569 4.427 0 1 HIAF CCCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccc(CC(=N)NO)cc1 1772595691 NAUVQSZQQBQGGS-UHFFFAOYSA-N 417.556 4.395 0 1 HIAF C[C@](O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 1857597269 FGKJNUSBLPMRBO-INIZCTEOSA-N 407.310 4.493 0 1 HIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCCCC(=O)O 2356732872 CFRBBWPHUQTQFD-HKBOAZHASA-N 423.594 4.401 0 1 HIAF CC(C)(C(=O)Nc1cccc2cccnc12)n1cc(-c2ccc3c(c2)OCCO3)cn1 205228401 SZOBQHIAXNTEBR-UHFFFAOYSA-N 414.465 4.243 0 3 HIAF O=C1N(CCCCCOc2ccc(Br)cc2)CCN1c1ccncc1 3986665 FNMASAFFZKWPGI-UHFFFAOYSA-N 404.308 4.335 0 1 HIAF Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCCCCc2ccccc2)cc1 27559920 HZECOIWROWDTJD-JOCHJYFZSA-N 415.555 4.104 0 1 HIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820956 MQGZSNQSNBZIKA-MXKQOMNDSA-N 402.531 4.073 0 1 HIAF COc1ccc(Sc2ccc(Cl)cc2N2C[C@@H](C)N(CC(=O)O)C[C@H]2C)cc1 36143353 JSVXVCHEVWOFFP-HUUCEWRRSA-N 420.962 4.483 0 1 HIAF CNc1noc2c(-c3cc4cnn(-c5c(F)cccc5F)c4n(C)c3=O)c(C)ccc12 43200940 WCDAPIXRTSYABL-UHFFFAOYSA-N 421.407 4.161 0 1 HIAF COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)CCCN(C)C2 45302593 PNNDRIWHXIPYFK-UXBLZVDNSA-N 415.331 4.488 0 1 HIAF COc1ccccc1CCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1 82133746 KIPCQXDPFQVVQY-UHFFFAOYSA-N 418.541 4.217 0 1 HIAF C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 84619468 RXKWBOUBAIJXIS-NSHDSACASA-N 410.783 4.346 0 1 HIAF COc1ccc(C(=O)OCc2cc(=O)c(O)co2)cc1C12CC3CC(CC(C3)C1)C2 84670603 HYDZMSCPTNVDMA-UHFFFAOYSA-N 410.466 4.179 0 1 HIAF CCC/C=C\C/C=C\CCCCC[C@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 96094950 CPHHQDCIGLXPCO-IQMGOBOOSA-O 412.591 4.083 0 1 HIAF in-vitro COCc1cc(NC(=O)c2ccc(Cl)cc2)cc([C@@]2(C)CCSC(N)=N2)c1 96174299 FJGZWNVLLFJOIE-HXUWFJFHSA-N 403.935 4.406 0 1 HIAF [C-]#[N+]c1ccc2ccn(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@@H]4CC[C@@H]3N4)c2c1 100633002 HJRDIYKLIUAXLY-LPHOPBHVSA-N 416.506 4.270 0 1 HIAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@H]1CC(CC(=O)O)(C3)C2 101095971 RKNILYVZCIUTKZ-JFDPBRROSA-N 405.922 4.283 0 1 HIAF COC(=O)C1=C(c2cnc(-c3cccc(Br)c3)s2)C[C@H]2CC[C@H]1O2 101501246 JZUOHICLNJQBTJ-TZMCWYRMSA-N 406.301 4.451 0 1 HIAF O=C(Nc1cccc(Cl)c1)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 103303091 AJGOFYWOTIIYLR-UHFFFAOYSA-N 415.787 4.298 0 1 HIAF O=S(=O)(c1ccccc1)[C@H]1C[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 138654355 CFDCTBOVDXIEET-HFMPRLQTSA-N 420.486 4.022 0 1 HIAF CN1CC[C@@H](CNCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3O)cc2)C1 144184722 YWCXMWSNUBXLRA-FQEVSTJZSA-N 415.537 4.353 0 1 HIAF O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@@H](c5nc6ccccc6[nH]5)[C@@H]3O4)ccnc2N1 150318831 LVALWLQZIOYNRM-BHDDXSALSA-N 410.433 4.277 0 1 HIAF CC1=C[C@H]2[C@@H]3C(=O)N(NC(=S)Nc4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C 169309979 QIJAKJCZCKPPNN-ZKXLYKBJSA-N 417.962 4.011 0 1 HIAF C[C@@H](c1ccc(O)cc1)[C@H](O)/C=C/[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169311206 XAKUZHBVDGUKLO-XXUCKJBUSA-N 400.515 4.408 0 1 HIAF O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697183 WTONWMINNVVDTM-RVWIWJKTSA-N 412.574 4.460 0 1 HIAF Cc1c(C(=O)N2CCc3c(ncn3-c3ccc(F)cn3)[C@H]2C)cccc1C(F)(F)F 225991101 LVTJEYIMEVVAMN-CYBMUJFWSA-N 418.394 4.493 0 1 HIAF Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 299864490 RLNNQZWVQCKXKC-UHFFFAOYSA-N 412.497 4.186 0 1 HIAF [O-][n+]1ccccc1SCc1nc2cc(Br)c(Br)cc2[nH]1 586969185 HITXBUQISJLOLC-UHFFFAOYSA-N 415.110 4.014 0 1 HIAF CC1=C(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@@H](C)n2nnnc2N1C 587096944 MFIJYRMPYGLXAJ-CQSZACIVSA-N 408.465 4.183 0 1 HIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cncc(Br)c2[nH]1 587120513 MLNFSJQZVOXTIM-UHFFFAOYSA-N 400.080 4.148 0 1 HIAF CCc1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344518 CVUGQIMVCWWAQL-YKSBVNFPSA-N 403.409 4.300 0 1 HIAF Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ncnn12 587371747 FVWBUTBHJXISRY-UTKZUKDTSA-N 409.442 4.218 0 1 HIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc4nc(C)sc4c1)[C@@H](C2)C3=O 587451786 KOHWRRQRTMZNTK-NYHFZMIOSA-N 408.479 4.148 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn3c(Br)cnc13)CC2=O 587458508 KCKJHBWEJYPGLX-MRXNPFEDSA-N 401.260 4.461 0 1 HIAF Cn1cc(C(=O)Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cn1 587517855 WICXFJBBNSHEAG-JOCHJYFZSA-N 402.450 4.225 0 1 HIAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)OC 587597973 STGMXLDPDJOLGY-OFNKIYASSA-N 420.417 4.280 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)C(Br)=C2F)N1 587739698 VLQIJNVFUDXMHI-AYVTZFPOSA-N 420.095 4.310 0 1 HIAF CC(=O)N1CC[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1 587771739 XHNLNDBQOWMIIY-YEJXKQKISA-N 417.322 4.118 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccccc3c2=O)N1 587778896 OPYKZKCHSPWOPY-YBTHPKLGSA-N 401.279 4.227 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O[C@H](C)C(=O)O)cc2)N1 587790667 HFXSQPLYBIHANX-PJYBLOJUSA-N 408.267 4.064 0 1 HIAF CCOc1cccc2[nH]cc([C@H]3N[C@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)c12 962717978 XZURCOONKSTKKP-LPHOPBHVSA-N 422.378 4.413 0 1 HIAF COc1cc(Br)ccc1[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962731268 RCHAYVCDELBAPH-ZBFHGGJFSA-N 414.221 4.193 0 1 HIAF Cc1ccc(CNC[C@@H]2O[C@H](Cc3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)cc1 2356287582 LYJMYMOWQAIVCN-FIXSFTCYSA-N 410.489 4.030 0 1 HIAF CCN(C(=O)c1c(-c2ccc(OC)c(OC)c2)noc1[C@@H](C)O)C1CCCCC1 2356303596 ZGOXWFDGRKWPQL-CQSZACIVSA-N 402.491 4.207 0 1 HIAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCC=CC(=O)O)[C@H](O)C[C@@H]1O 2356388977 BEKLYIAFACFFDO-KEZQHZCBSA-N 400.556 4.182 0 1 HIAF C[C@@H]1C=C[C@H](O)C=C(Cl)CCOC(=O)C2=CC[C@@H]3CCC[C@]4(CCC[C@@H]14)N3C2 2356413141 ONRNPNQJAQBNOL-WCJMXFJFSA-N 405.966 4.333 0 1 HIAF Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1OC(F)(F)F)N1CCN(C)CC1 95568584 ACAPFGPRUXVEIJ-HXUWFJFHSA-N 421.463 4.129 0 3 HIAF O=C1C(=O)N(CCOc2ccc(C(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 169341852 KQQVBMZVWJTEFB-UHFFFAOYSA-N 419.277 4.212 0 3 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4036980 FRCONBIKIHKSBP-IRLDBZIGSA-N 423.875 4.470 0 1 HIAF COc1ccc([C@H]2CC(=O)N(CC(=O)N3CCCCC3)c3ccccc3S2)cc1 5053263 LUKDUPRZMFUWIZ-OAQYLSRUSA-N 410.539 4.278 0 1 HIAF CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc21 5058553 HJQVOZSSSQIYSV-JTBPQFFMSA-N 418.518 4.324 0 1 HIAF O=C(O)c1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1Cl 8426085 BLROOPWXPSGUBH-ZDLGFXPLSA-N 422.849 4.069 0 1 HIAF COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 13473095 ZQKYJYUHIBOEHV-UHFFFAOYSA-N 423.509 4.330 0 1 HIAF O=C(C1=N[C@H](c2c[nH]c3ccccc23)CN1)c1c[nH]c2cc(Br)ccc12 14768208 CIFUWIGYZJXRFR-SFHVURJKSA-N 407.271 4.337 0 1 HIAF biogenic Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(F)c(F)c4F)c3)cc12 14961627 FBCVNOZXAZXDOD-INIZCTEOSA-N 412.415 4.299 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(N)c1 26952586 GXYDBTCLBZLDRJ-GSVKBTKASA-N 407.558 4.121 0 1 HIAF Cn1c(-c2ccc3c(c2)C[C@H](NS(=O)(=O)c2ccccc2)C3)cc2ccccc21 28949526 VCOMAOSFHGZPHP-OAQYLSRUSA-N 402.519 4.291 0 1 HIAF Cc1nnc(C(C)C)n1C1CCN([C@@H](C)C[C@H](NC(=O)C2CC2)c2ccccc2)CC1 40402231 QJNMZPAPGPGAOX-MBSDFSHPSA-N 423.605 4.393 0 1 HIAF COCCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccccc2F)n1 82150481 GUBHEGSVAJLXSY-BEFAXECRSA-N 400.498 4.040 0 1 HIAF Cc1cc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2)n(-c2ccccc2)n1 95581202 YPRHADKGOGMDFH-UHFFFAOYSA-N 412.496 4.230 0 1 HIAF COc1ccccc1N1CCCN(CCCCNC(=O)c2cc3ccccc3o2)CC1 96270636 QIMGMHULMOXSPU-UHFFFAOYSA-N 421.541 4.164 0 1 HIAF COc1ccc(-c2cc(-c3cc4ccccc4oc3=O)n(C(=O)c3ccncc3)n2)cc1 103189286 RBTYZAFIOJMHLT-UHFFFAOYSA-N 423.428 4.416 0 1 HIAF Clc1cnc(NC[C@@H]2CCCNC2)cc1-c1cccc(NCC2CCOCC2)n1 169703832 IZXFJQNCWNLQEB-QGZVFWFLSA-N 415.969 4.047 0 1 HIAF COC(=O)/C1=C/CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2C[C@H](OC(C)=O)/C(C)=C\CC1 195334403 JQCWXJKSJTVECI-JZGSJUAXSA-N 402.487 4.116 0 1 HIAF NCC[C@@H]1CNC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)c(-c3ccccc3)n21 207213199 WTGCKCDNZFLRCX-MRXNPFEDSA-N 415.415 4.354 0 1 HIAF CC(=O)OC[C@]1(C)[C@H]2CC[C@@]34C=C[C@@](C)(CC[C@H]3[C@]2(C)CC[C@H]1O)[C@@H]4OC(C)=O 238756200 KWJSKWFRGFBDDC-TYZKUDCASA-N 404.547 4.031 0 1 HIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 586914375 DJXMLNKWTCOKPD-UHFFFAOYSA-N 402.406 4.493 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(C[C@@H](N)c3ccccc3Cl)nc2c1 587057868 SHIKLCBXNFNQFV-CYBMUJFWSA-N 408.683 4.008 0 1 HIAF C[C@@]1(c2cn(-c3ccccc3)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343781 VHUWNUFXAMSMTO-VWNXMTODSA-N 415.424 4.386 0 1 HIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CO 587354902 WCDCNNDJMDUICE-ISKFKSNPSA-N 408.425 4.307 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)c4ccccc4)cc1)[C@@H](C2)C3=O 587447568 CLEWGYBLWOUKMZ-CVDCTZTESA-N 406.459 4.017 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 587484954 HHWNUDOIJCUQFT-UYFSRDTQSA-N 401.503 4.326 0 1 HIAF C[C@@H](Cn1cc(Cl)cn1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657201 QDXGLLSMDWFYQB-ZDUSSCGKSA-N 410.836 4.029 0 1 HIAF O=C(c1cnn(-c2ccccc2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661023 KXSDBJKJFQEPSS-UHFFFAOYSA-N 410.408 4.077 0 1 HIAF CCn1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587708893 FSDSVWQGTCAVNZ-FVMDXXJSSA-N 420.248 4.453 0 1 HIAF Cc1cccnc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587741095 FYZVWPCXFWYQPT-BUXKBTBVSA-N 406.299 4.070 0 1 HIAF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587797614 WJWVETWQXWLLIO-YUNKPMOVSA-N 408.311 4.493 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)sc3c2CCOC3)N1 587856195 WSBBECQIGSMJAA-LZVRBXCZSA-N 411.340 4.102 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNC(=O)c1cccs1 587866622 HLAHWQQHPCLYOD-UHFFFAOYSA-N 423.416 4.099 0 1 HIAF COc1ccc(-c2ccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c(O)c2)cc1OC 587927115 NSSTUCQJEZHSQE-UHFFFAOYSA-N 408.385 4.457 0 1 HIAF COC[C@@H](Cc1ccccc1)N(C)C(=O)c1coc(-c2ccc(OC)c(OC)c2)c1 621429900 GALBPQPLOOBSRA-HXUWFJFHSA-N 409.482 4.294 0 1 HIAF Cc1cncnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 653671271 HRGHVNLOWYYXON-UHFFFAOYSA-N 412.449 4.105 0 1 HIAF CN[C@H]1CC[C@H](N(C)c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CC1 653678776 FNUJJUNCZBNFBI-IYARVYRRSA-N 408.477 4.101 0 1 HIAF CC(=O)C[C@]1(c2ccc(Cl)cc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962628391 CMOQOIOWGIEMRV-BJKOFHAPSA-N 422.912 4.210 0 1 HIAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@](C)(CC1CC1)N2C(=O)OC(C)(C)C 962703125 FPMIFQLZMCCDGF-XZOQPEGZSA-N 403.494 4.492 0 1 HIAF C[C@H](NC(=O)c1cc(-c2ccnc(O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 1857579251 CMNKDUHXNREUGB-VIFPVBQESA-N 421.259 4.368 0 1 HIAF C[C@@]1(c2ccc(Br)cc2)CCN(CC(=O)c2ccc(F)cc2F)C1=O 1857741910 LNAVWIPLRWUOBP-IBGZPJMESA-N 408.242 4.100 0 1 HIAF COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 776122 MZKSZXWTSXMUMO-OAQYLSRUSA-N 410.514 4.048 0 1 HIAF CC(=O)OCC1=C[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C(C)C)=C3[C@@H]2C[C@@H]1OC(C)=O 13413239 VTVZSBYDYBCNCU-CQHWMIAWSA-N 404.547 4.341 0 1 HIAF biogenic O=C(c1cccc2ccccc12)c1cn(CCN2CCOCC2)c2ccc(F)cc12 13742572 YKAFJPALAGTJCW-UHFFFAOYSA-N 402.469 4.497 0 1 HIAF O=CNCCCCCCN1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 13743909 KTVVZLGUFWSVBE-NRFANRHFSA-N 400.950 4.342 0 1 HIAF C=COC(=O)n1c([S@@](=O)Cc2nccc(SCC)c2C)nc2ccccc21 13820796 SDLOERKJJNIIBC-HHHXNRCGSA-N 401.513 4.288 0 1 HIAF O=C1NC[C@@H](c2c[nH]c3ccccc23)N=C1c1c[nH]c2cc(Br)ccc12 15266946 YWUKMXVWWWYQPX-SFHVURJKSA-N 407.271 4.072 0 1 HIAF biogenic CC(C)OC(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 26392183 FUSNXEIHUJAEHL-UHFFFAOYSA-N 424.375 4.272 0 1 HIAF Cc1nc2c3c(c(C(=O)N(C)C)cn2c1Br)CC[C@@H](c1ccccc1)O3 28867361 QTONVRKFGQITPT-INIZCTEOSA-N 414.303 4.173 0 1 HIAF Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1ccc(N)nc1 40891661 MAXWPKHIRAUGLM-UHFFFAOYSA-N 414.387 4.496 0 1 HIAF NC(=O)c1cnc(N[C@H]2CCCCNC2)c2cc(-c3ccc(Cl)cc3)sc12 64573201 MWHUUAKGJZMKLG-AWEZNQCLSA-N 400.935 4.270 0 1 HIAF CCN(Cc1cc2cccc(C)c2c(=O)n1-c1ccccc1C)c1ncnc2[nH]cnc12 88345857 TWSKQJRCGISATC-UHFFFAOYSA-N 424.508 4.300 0 1 HIAF COc1cc2nncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)c2cc1C 95580613 TVAOFQHTQQEENM-UHFFFAOYSA-N 406.530 4.305 0 1 HIAF CCCOCCCCCCCCCc1cc2cn([C@@H]3CC[C@H](CO)O3)c(=O)nc2o1 95584882 BMRBLYZXZUGFFI-RTWAWAEBSA-N 420.550 4.359 0 1 HIAF CCN1CCN(CCCCCOC(=O)C(C)(c2ccccc2)c2ccccc2)CC1 103290790 WNZWWUNRDYHUEP-UHFFFAOYSA-N 408.586 4.344 0 1 HIAF Cc1nc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@@H]2c2cccs2)sc1C 110821830 YUZMXWGVWFTQKU-KBPBESRZSA-N 402.522 4.039 0 1 HIAF Cc1cn(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 140121510 YMRQDHCMFHGZCK-UHFFFAOYSA-N 414.391 4.179 0 1 HIAF Cc1nc2c(C(=O)NC3CCC3)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1 205654686 HOHZAEDXKUGTLQ-UHFFFAOYSA-N 416.403 4.425 0 1 HIAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 586943940 KAKNHVQWTILRLH-UHFFFAOYSA-N 419.478 4.091 0 1 HIAF Cc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c(C)s2)cc1 587013313 UFTLDPIBIBMXBO-UHFFFAOYSA-N 412.540 4.221 0 1 HIAF Cc1c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030083 WWVUEFJSNPMZEF-UHFFFAOYSA-N 406.446 4.037 0 1 HIAF Cc1cnc2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2c1 587092565 UZYWFABFGODAOH-UHFFFAOYSA-N 414.428 4.071 0 1 HIAF CC(C)Oc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587113852 VKGUOXBWNSJVPF-UHFFFAOYSA-N 402.380 4.071 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCCc4c1cnn4-c1cccc(C)c1C)[C@@H](C2)C3=O 587432453 OXNLCVGEYIBLCO-AVRWGWEMSA-N 400.478 4.477 0 1 HIAF C[C@]1(CC(=O)Nc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573687 WRYURUFRZSKYGW-NFBKMPQASA-N 407.397 4.280 0 1 HIAF CC(C)(C)C(=O)Nc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580617 SWMFOGJWNAHUHL-NQIIRXRSSA-N 418.449 4.475 0 1 HIAF CCOC(=O)[C@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593126 CKDGLPMFEPITSO-PXDATVDWSA-N 418.445 4.429 0 1 HIAF CCOC(=O)[C@@H]1CCSCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587856974 JUGGBHFOOGTATD-RRUGBERISA-N 416.356 4.024 0 1 HIAF CCCCn1nc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c2ccccc2c1=O 587874700 AGQPDHTUPJGVAX-UHFFFAOYSA-N 404.401 3.993 0 1 HIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(I)c3[nH]2)cc1 587934088 AXERQIVCLGINNI-QFYYESIMSA-N 408.239 4.013 0 1 HIAF CCOc1ccccc1OCC[n+]1cn(Cc2cccc(OC)c2)c2ccccc21 653858742 UWWKDSYOWYKUNL-UHFFFAOYSA-N 403.502 4.463 0 1 HIAF CC(C)(C)OC(=O)N1CC2(C1)C[C@]1(CO2)NCCc2cccc(-c3ccccc3)c21 962659297 FQROUZCYAQZTIF-RUZDIDTESA-N 406.526 4.104 0 1 HIAF C[C@]1(CC(=O)NC2CCCC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950593 HIRUFMJFBJHOHB-HXUWFJFHSA-N 410.480 4.021 0 1 HIAF CC(C)(C)OC(=O)N1CC[C@@]2(NCCc3c(C(=O)O)cccc32)c2ccc(F)cc21 963118116 ABFFWQAVUNLBBT-QHCPKHFHSA-N 412.461 4.058 0 1 HIAF Cc1ccnc([C@@]2(c3cc(C)ccc3C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963221849 FWCMEKUWAFGCSB-IGKIAQTJSA-N 423.516 4.446 0 1 HIAF CC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1 1772633976 FPGDCKQWXUIEJX-PZJWPPBQSA-N 422.573 4.159 0 1 HIAF CSc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(C)=O)CC3)n2c1 1857768818 MPUMSZSKQOLNHP-UHFFFAOYSA-N 414.962 4.041 0 1 HIAF CCOC(=O)c1c(C)nc2[nH]c3c(c(=N)c2c1-c1cccc(OC)c1)CCCCC3 1911582123 GPLVYGAGGDNJPY-UHFFFAOYSA-N 405.498 4.472 0 1 HIAF CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1ccnc(Cl)c1)O2 11996529 JEWZQZQQAQPLNI-SFHVURJKSA-N 406.869 4.338 0 1 HIAF COc1cc2cc3c(c(-c4cc(OC)c(OC)c(OC)c4)c2cc1OC)C(=O)OC3 12360821 VFULRIWYLLHLAZ-UHFFFAOYSA-N 410.422 4.220 0 1 HIAF O=C1C[C@H](c2ccccc2)c2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2)O3)O1 13382677 BQCMJSOAYSMFJF-SJLPKXTDSA-N 402.402 4.245 0 1 HIAF biogenic CCc1cc(-c2cc[nH]n2)c(O)cc1OCCCOc1cccc(CCC(=O)O)c1 13738049 XCVSODQIWUUSLQ-UHFFFAOYSA-N 410.470 4.210 0 1 HIAF O=C(O[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C(O)(c1ccccc1)c1ccccc1 13835339 DEMLLOYFOUYFAC-XMMPIXPASA-N 419.496 4.269 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(CN(C)C)cc1 27866208 KWUVGOKHEMZHDF-JOCHJYFZSA-N 409.530 4.012 0 1 HIAF Cc1ccc(NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(C)CC2)cc1 28523509 NTSMSQNSDHTAOW-HXUWFJFHSA-N 420.479 4.124 0 1 HIAF CCO[C@@](CC)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O 36757874 NZZMRMMECJETRO-DEOSSOPVSA-N 424.497 4.479 0 1 HIAF O=C(NC1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1)c1ccccc1 72185646 UUKFSSPTRWFOFF-QFIPXVFZSA-N 406.917 4.114 0 1 HIAF CCCC(=O)NCCCc1nc(-c2nc(C)cs2)c(-c2ccc3c(c2)OCO3)[nH]1 73311896 RVVACHANYFDAQP-UHFFFAOYSA-N 412.515 4.086 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc(C)c1 82146675 DCOPQOIOMSXBMY-MRXNPFEDSA-N 418.497 4.321 0 1 HIAF COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@H](CO)N3)c1 95797432 IDYHYZBOSZEVMK-FGCOXFRFSA-N 406.526 4.228 0 1 HIAF C=Cc1ccc(C(=O)NCCCCN2CCCN(c3ccccc3OC)CC2)cc1 96270634 FXMDNGYJSZHADA-UHFFFAOYSA-N 407.558 4.061 0 1 HIAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]1c1cccc(Cl)c1 102644321 CGGWAIBHRMCQBK-AIRBMXIASA-N 405.878 4.310 0 1 HIAF Fc1ccccc1-c1n[nH]c2cnc(-c3cnccc3OCC3CCNCC3)cc12 205268406 YLWFDIMVLZXYNP-UHFFFAOYSA-N 403.461 4.204 0 1 HIAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)nc3=O)cn12 223398585 AYMBXRGUDOEASY-UHFFFAOYSA-N 406.873 4.298 0 1 HIAF CCOc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@H]1C 225905239 IOFVLWDJTIMEEM-RHSMWYFYSA-N 418.335 4.348 0 1 HIAF Nc1nc(Nc2ccccc2)nc2c1C[C@H](c1c(Cl)cccc1Cl)C(=O)N2 299824873 IFIYOQUZPRHREW-LLVKDONJSA-N 400.269 4.388 0 1 HIAF COc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1OC 586959183 JGONNYQORJIIFN-VWLOTQADSA-N 423.332 4.083 0 1 HIAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083672 FTHRKUNSIDAWIQ-UHFFFAOYSA-N 412.902 4.196 0 1 HIAF Cc1ccnc2[nH]c([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc12 587141533 RZLPBRCPFYDZOH-OAHLLOKOSA-N 410.902 4.125 0 1 HIAF COc1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587170270 MRQUQQJTNDOHHV-UHFFFAOYSA-N 403.460 4.240 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C(=O)O)[C@@H]3C(=O)O)c1 587365029 CMJHCAUGBRJMSC-KDOFPFPSSA-N 403.390 4.082 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccccc1OC)([C@H]1CCCC[C@H]1C(=O)O)[C@@H](C2)C3=O 587440173 AXONLIVUGNWMDM-NLOPZFEXSA-N 422.477 4.238 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1nccc(-c4cccs4)n1)[C@@H](C2)C3=O 587450383 KBBVAGPWMTXAHJ-NYHFZMIOSA-N 415.474 4.493 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1nccc(NC(=O)C(C)(C)C)c1OC)CC2=O 587470423 MZOUBYZPQABXMA-SFHVURJKSA-N 412.486 4.439 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 587483790 DOZNXHFPIRUHQN-XAPDGSRCSA-N 401.503 4.468 0 1 HIAF C[C@]1(c2ccc(S(=O)(=O)CC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505528 LUADFDCFBWRGBH-JOCHJYFZSA-N 420.477 4.485 0 1 HIAF Cc1ccc([C@]2(c3nccn3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587574505 BICWBMHCWMMVDY-OFVILXPXSA-N 412.445 4.340 0 1 HIAF CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccc(Br)cc1 587649051 OORPNCRFFYRDRQ-UHFFFAOYSA-N 406.301 4.127 0 1 HIAF COC(=O)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587699490 KSYMFMNOIRGPQE-MLCYQJTMSA-N 412.686 4.192 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2N2CCOCC2)N1 587723588 XNYKBHGURUUAFF-BLVKFPJESA-N 423.301 4.188 0 1 HIAF COc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 587779804 WEINZWNRQWMVIZ-DGIBIBHMSA-N 417.278 4.474 0 1 HIAF CCCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587792236 HNASCQCNKHVWQS-BIBXISHDSA-N 403.295 4.271 0 1 HIAF CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587799212 RCYLKMSJVMPZSH-PTPDTQQLSA-N 418.306 4.101 0 1 HIAF COC(=O)c1oc2c(c1C)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587827563 KLTMQVNESGONBD-WVDJIFEKSA-N 422.294 4.390 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OC[C@@H]3CO3)c2)N1 587833095 LXBSLYXRUDHRRE-CBLJQSSYSA-N 406.295 4.164 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccccc3oc2=O)N1 587841668 NDCZBJRESBYJFV-BIBXISHDSA-N 402.263 4.492 0 1 HIAF CCc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(S)n1 587844057 LSZALFRXVABWRY-YYSFKGJASA-N 410.356 4.335 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1-c1c(F)cc(C(=O)NC2CC2)cc1F 587870526 BHSGJBACIWBFJN-UHFFFAOYSA-N 401.388 4.248 0 1 HIAF CCN(CC)Cc1cccc(NC(=O)Nc2cccc3c2[C@@H]2CCCCN2C3=O)n1 653725584 QRVWMWPFAKMZQT-IBGZPJMESA-N 407.518 4.248 0 1 HIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(Nc3nn[nH]n3)C[C@@H](CC(C)C)C2)N1 962944253 HLAHQHQVPYSGGI-LNPFQXMTSA-N 405.550 4.253 0 1 HIAF Cc1ccccc1[C@@]1(CCCCC(=O)O)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228601 SUXRPBJQDBOJOY-RCZVLFRGSA-N 418.493 4.031 0 1 HIAF Fc1ccc(-c2ccc3[nH]cc(-c4nnco4)c(=NCCCn4ccnc4)c3c2)cc1 1857570174 JMFOSONLGCNPCG-UHFFFAOYSA-N 414.444 4.212 0 1 HIAF COc1ccc(-c2nc(O)c3ccccc3n2)cc1OCC(=O)Nc1ccccc1C 1857595879 JYYRQJDPUGRRJE-UHFFFAOYSA-N 415.449 4.337 0 1 HIAF COc1ccc(-c2c(C)[nH]c3c(C4=CCCOC4)c(-c4ccccc4)nn3c2=O)cc1 1857607551 IUKLOMDGEOAZHS-UHFFFAOYSA-N 413.477 4.477 0 1 HIAF Cc1c(C)c2ccc(OCC3CCN(Cc4ccc(CO)cc4)CC3)cc2oc1=O 1857609027 XRVUZLMXGJXDEZ-UHFFFAOYSA-N 407.510 4.193 0 1 HIAF CC(=O)O[C@]1(C)[C@@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@H]2OC1(C)C 2356527384 FUWGTSPULMWHSY-JCTONOIOSA-N 406.434 4.393 0 1 HIAF Cc1ccc2nc3n(c(=O)c2c1)-c1cc(Cl)ccc1C(=O)N[C@@H]3Cc1ccccc1 36389177 WSWGSLKXJMDFHM-HXUWFJFHSA-N 415.880 4.375 0 3 HIAF COc1ccccc1N1CCN(CCCCN2C(=O)c3cccc4cccc2c34)CC1 13531166 JYMMCNNIDJZHJK-UHFFFAOYSA-N 415.537 4.411 0 1 HIAF O=C(Nc1ncccn1)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 13605287 OVYOPBYVNYZVNI-SSEXGKCCSA-N 414.490 4.021 0 1 HIAF S=C1NC(=S)N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1 13652014 DVDKGTLZTJJREN-UHFFFAOYSA-N 410.395 4.471 0 1 HIAF CC1=C2CC[C@@H]3[C@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)Cc2cn(S(C)(=O)=O)nc21 26181638 ZAKWQKHIANOUEX-IKMSTRLXSA-N 418.603 4.014 0 1 HIAF Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)CC1 40951090 NEAXZQHSZHLDPB-UHFFFAOYSA-N 422.548 4.079 0 1 HIAF CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3Br)N2C1=O 49792576 CPHUMYXSRBIEDQ-PKOBYXMFSA-N 424.298 4.229 0 1 HIAF Cc1ccc(S(=O)(=O)n2c3c(c4cc(Cl)ccc42)C[C@H](N(C)C)CC3)cc1 60325813 XJSQPVGIUSJIDS-MRXNPFEDSA-N 402.947 4.259 0 1 HIAF CC(=O)N1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)CC1 82162861 ODUQTUULULPHRH-UHFFFAOYSA-N 415.522 4.089 0 1 HIAF CCC(CC)CN1C(=O)S/C(=C\c2cc(Br)c(O)cc2O)C1=O 84671877 JKACHMJDGANMMF-NSIKDUERSA-N 400.294 4.333 0 1 HIAF COc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175354 IFPKQBGRFPZAFI-SUMWQHHRSA-N 416.930 4.022 0 1 HIAF O=C1c2ccccc2C(=O)N1CCCCn1c(C(F)(F)F)cc(=O)c2ccccc21 96909953 UKGOXSLVRLZSOC-UHFFFAOYSA-N 414.383 4.097 0 1 HIAF COC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2C 100736981 XSYGBVSQKPLETJ-TUFLPTIASA-N 401.453 4.095 0 1 HIAF CN1C(=O)C(C)(C)[C@@](C)(c2cc(Nc3cncc(C(F)(F)F)c3)ccc2F)N=C1N 114111376 XVHKCMUPKSKCMO-LJQANCHMSA-N 423.414 4.011 0 1 HIAF CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1ccc(Cl)c(Cl)c1 299822267 IBDQJNBQMJLXIU-IBGZPJMESA-N 404.293 4.311 0 1 HIAF COC(=O)c1cc2nc(CSc3cccc[n+]3[O-])[nH]c2c(F)c1Nc1ccccc1 586969424 KQQNSGQYBLCABN-UHFFFAOYSA-N 424.457 4.158 0 1 HIAF O=C(COc1ccccc1-c1nc2ccc(C(=O)O)cc2[nH]1)Nc1ccccc1F 587153744 BRHRRISTQVSIFB-UHFFFAOYSA-N 405.385 4.085 0 1 HIAF Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)c(F)cc2[nH]1 587182009 KQVBHJJJHDMEAC-SSDOTTSWSA-N 404.614 4.074 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O2 587390618 OKWXGIMBSABZJB-RDPSFJRHSA-N 410.514 4.437 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1COC3(CCCCC3)N1C(=O)OC(C)(C)C)O2 587394235 RIVZDWVYSGIHBP-HKUYNNGSSA-N 416.518 4.207 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ncc(-c4cccc(Br)c4)[nH]1)[C@@H](C2)C3=O 587418245 OCJBZUJGUHGGMD-LIRRHRJNSA-N 411.255 4.337 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4ccccc4)cc1)[C@@H](C2)C3=O 587427412 CTMJEKXUKVYZJT-CPJSRVTESA-N 415.445 4.201 0 1 HIAF CCOC(=O)c1cc2c(nc1O)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587527780 UUWGJZZHNOGBHR-DEOSSOPVSA-N 407.466 4.040 0 1 HIAF Cc1nn(-c2ccccc2)c(N)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584038 YPYPQKOCJDTJPO-NFBKMPQASA-N 413.433 4.171 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2Br)N1 587684618 ZFLWYKKDCLMARY-RTHLEPHNSA-N 400.089 4.369 0 1 HIAF CCn1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C(F)(F)F 587713935 OMUZRHWFJGGBNU-XLKFXECMSA-N 406.221 4.447 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccc(N)cc3)C2)N1 587745002 IVDRBXAHVMRYMM-RWCMSOCESA-N 417.322 4.437 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)n(C)c3ccccc23)N1 587751837 BDNOCEOWLVDZEY-MGNBDDOMSA-N 417.278 4.402 0 1 HIAF COC(=O)c1ccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587801453 GOMQVIGYEPHIOE-GIGQVBGESA-N 417.278 4.480 0 1 HIAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O 587806549 JZSQMCRTITZCLK-DGIBIBHMSA-N 408.267 4.146 0 1 HIAF Cc1ccccc1-n1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962699506 ORQLNWDPDKPHPG-MJGOQNOKSA-N 419.378 4.027 0 1 HIAF O=C(O)c1cccc2c1CCN[C@H]2c1c(-c2ccc(Cl)cc2)nc2n1CCS2 963130026 HXYZWUSJVQPIFA-GOSISDBHSA-N 411.914 4.243 0 1 HIAF Cc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N[C@@H]3C[C@H]4CC[C@H]3C4)n2)on1 1772655514 HDRIQYNTIJUOAF-JLJPHGGASA-N 420.521 4.330 0 1 HIAF FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(Cc3ccccc3Cl)cn2)c1 1857655263 XEYGIAOMKHNUTC-UHFFFAOYSA-N 404.783 4.451 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@H]1c1cccc(F)c1Cl 1857751032 HOIJRGFGRKZXII-INIZCTEOSA-N 405.882 4.350 0 1 HIAF COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cc1 61903153 IGJNVMLDMQELPO-XMMPIXPASA-N 417.465 4.048 0 3 HIAF COc1ccc(C(C)=O)cc1CN1C(=O)[C@H](C)ON=C1c1cccc(C(F)(F)F)c1 61905599 YYNZLBFSHYKILR-ZDUSSCGKSA-N 420.387 4.026 0 3 HIAF C[C@@]1(C(=O)NCc2cccc(Cl)c2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61907915 XHTJIHRFGFVXNO-QHCPKHFHSA-N 422.868 4.141 0 3 HIAF Cc1ccc(S(=O)(=O)N2[C@@H](C)CO[C@H]2CC(=O)c2cccc3ccccc23)cc1 95600522 VIJGVVVJHGKGLO-SBUREZEXSA-N 409.507 4.157 0 3 HIAF O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F)N1CCOCC1 772289 JTDPTQRHMFDLDJ-PKOBYXMFSA-N 423.271 4.083 0 1 HIAF CNC(=O)Nc1ccc(Cl)c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)c1 13673967 KQYHIRPUBLSJIU-UHFFFAOYSA-N 415.664 4.360 0 1 HIAF COC(=O)/C1=C/C=C(/C(C)C)CCC2=CCC[C@](C)(OC2=O)[C@@H](OC(C)=O)CC1 14445690 GCDVQIVAHBRSQZ-NNHVYEACSA-N 404.503 4.196 0 1 HIAF Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(CCCN3CCCC3)n1-2 27319445 APSPREMQMZPZSZ-UHFFFAOYSA-N 405.933 4.300 0 1 HIAF CC(C)(Cc1ccc(F)cc1)NC[C@@H](O)COc1ccc(OC(F)(F)F)cc1 28567501 FRVZDYYYHDHDGQ-MRXNPFEDSA-N 401.400 4.075 0 1 HIAF CN(C)[C@H]1CCN(c2c(-c3ccccc3)c3c(c4nc(C5CC5)oc24)C(=O)OC3)C1 64503970 RLFJTBWGRDNMJU-INIZCTEOSA-N 403.482 4.183 0 1 HIAF COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 70459620 AHOINPWSEKBHAG-HSZRJFAPSA-N 421.522 4.007 0 1 HIAF C[C@H]1C(=O)N[C@@H](c2ccc(F)cc2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C 95662245 GDGOWZRPPFKRJA-STWANLKKSA-N 410.489 4.261 0 1 HIAF Cc1ccc2ccc(N3CCC(Oc4nccnc4C4CCOCC4)CC3)nc2c1 96169018 VTLMQEKNKXZPIF-UHFFFAOYSA-N 404.514 4.275 0 1 HIAF COc1ccnc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2nccs2)c1 167529748 KPXAKWWRUYDCGE-QGZVFWFLSA-N 409.511 4.476 0 1 HIAF CCCCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729898 FCMPMUWSGXGOHY-FGZHOGPDSA-N 424.497 4.459 0 1 HIAF C[C@H]1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccc2F)CC1)OCO3 206545242 JVKFMUQLFIOIAJ-INIZCTEOSA-N 410.489 4.374 0 1 HIAF Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1cccc(Cl)c1Cl)C2 219525398 LEOWZODDZJSRII-SNVBAGLBSA-N 402.285 4.069 0 1 HIAF CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(C2CCC2)c1 225198370 NBYKHBQUUXDOJN-UHFFFAOYSA-N 417.571 4.239 0 1 HIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(C)c(Br)cnc2[nH]1 586917687 UQBTWBZPUBLQCL-YJYMSZOUSA-N 400.276 4.245 0 1 HIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 586934510 AQAJEPLMZKKOAN-LLVKDONJSA-N 408.321 4.069 0 1 HIAF Cc1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1C 586946634 SGONNCBPXDQXAJ-UHFFFAOYSA-N 403.554 4.448 0 1 HIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 586947997 JJDQATIKYMXTJU-UHFFFAOYSA-N 412.284 4.282 0 1 HIAF Cc1cnc2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc2c1 586963504 KUZCIAYXLHVUFJ-UHFFFAOYSA-N 412.906 4.051 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cncc(Br)c2[nH]1 587041874 GDUBHQMHJHISKS-GFCCVEGCSA-N 409.696 4.029 0 1 HIAF COC(=O)c1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182930 PLBNADSXFCMBAT-UHFFFAOYSA-N 412.614 4.275 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(c3cccc(F)n3)CC2)[C@H]1c1ccc(F)cc1 587332804 DPZQHDFMNNWPHD-QFIPXVFZSA-N 422.431 4.464 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)O2 587402386 ZWCRLTFNIBDAIS-DHIUTWEWSA-N 400.519 4.482 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1c(C)cccc1I)[C@@H](C2)C3=O 587429437 VOURSILKRGHQAA-SGTLLEGYSA-N 406.219 4.097 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CCNCC1 587590748 ALHLRIHGKBMTOZ-DHLKQENFSA-N 401.462 4.249 0 1 HIAF COc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587595034 MGYFOKHCVQVCRT-YKSBVNFPSA-N 414.417 4.494 0 1 HIAF CCOC(=O)C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598825 VLESBJRAIPWPBC-RCZVLFRGSA-N 418.445 4.289 0 1 HIAF CCOc1ccc(-c2nn(-c3ccnc(Cl)n3)c(=O)c3ccccc23)cc1OCC 587670016 XUNLOVSIYRRALZ-UHFFFAOYSA-N 422.872 4.294 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587696006 KKOCNLFKXATFOU-NTCNTBNZSA-N 409.686 4.280 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)ccc(F)c2C(=O)O)N1 587723361 XHQNEICKTWHFCD-CVJBHZAOSA-N 414.221 4.362 0 1 HIAF CC(=O)Nc1cccc2c1[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587745457 WFJYXNJGILGVMQ-YBTHPKLGSA-N 403.295 4.271 0 1 HIAF Cc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587746500 ZXUDUWUESDFOQH-HXPMCKFVSA-N 406.299 4.070 0 1 HIAF CC(C)NC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587753753 ICIVUXIKPIBPSE-BLVKFPJESA-N 405.311 4.350 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)O)c3ccccc23)N1 587757142 NGZDZZZGUXEWBQ-PRWKNARSSA-N 417.278 4.251 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793459 FIAYEJRQQORDTF-RNODOKPDSA-N 406.295 4.319 0 1 HIAF COC(=O)[C@@H]1C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587803479 AYYUNVCTHMWPBE-GZNWPSJOSA-N 404.279 4.026 0 1 HIAF Cc1ccc2c([C@H]3N[C@@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)c(C)n(C)c2c1 962626642 DBJULZVQWJWSBL-XLIONFOSSA-N 418.415 4.382 0 1 HIAF CC(=O)Nn1c(C)cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1C 962640662 MFFPYVUSUKNIPU-BVAGGSTKSA-N 414.553 4.031 0 1 HIAF CC(=O)C[C@@H]1CCCC[C@]12N[C@H](C(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c12 963189445 WPLNBYJXJFSMKZ-YEWDVWPNSA-N 403.828 4.322 0 1 HIAF CCN(CC)C(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2ccc(F)cc12 1772610531 LUZWXZUOBDEBBU-UHFFFAOYSA-N 421.516 4.355 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2cccc(F)c2F)C(=O)OC)cc1 1772636253 IMODPFWOYAJROC-IVZQSRNASA-N 419.468 4.353 0 1 HIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CCC(=O)NC)cc21 1857599518 PITXRPCQRXBOCN-UHFFFAOYSA-N 413.521 4.019 0 1 HIAF Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(Cl)cc4Cl)C3)ccc2n1 1857761644 PWXQWEBOXOJIBG-UHFFFAOYSA-N 401.297 4.172 0 1 HIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=C3CC[C@]2(O)C1)CC[C@H]4[C@@H]1C=CC(=O)O1 2356704341 PVFIGYYARZNHQO-SUVHPCHJSA-N 414.542 4.238 0 1 HIAF CCCCCC(=O)N1C[C@@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 61923153 IJAKDSXXAILQSP-NJDAHSKKSA-N 416.953 4.265 0 3 HIAF COc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(=O)O)c2c1 588976 XYRLFBSZSQHAJQ-UHFFFAOYSA-N 406.385 4.352 0 1 HIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCCC3)[C@H]2C)OCO4)c1OC 1642702 IGAAMAVEJGCBND-HRCLSFSHSA-N 411.498 4.405 0 1 HIAF CCN(CC)CCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12 6748812 XLYPIBGWTRDLCF-UHFFFAOYSA-N 410.518 4.427 0 1 HIAF CN(C[C@H](CCCCCC(=O)O)c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 13730299 ZTUJYYIWLULXOO-KRWDZBQOSA-N 424.950 4.174 0 1 HIAF Cc1nc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)oc1-c1ccccc1 26578765 SJKUGGAEJMMNPO-GOSISDBHSA-N 408.479 4.166 0 1 HIAF CS[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C 27551082 GLOCMASIJFEJLP-RHPOACNJSA-N 422.562 4.178 0 1 HIAF CCCC[C@@H](C(=O)NCc1ccccc1)N(C(=O)c1cnccn1)C1CCCCC1 28954042 VNQMVKLYHQKOMW-QFIPXVFZSA-N 408.546 4.127 0 1 HIAF Cc1cccc(-c2nc(Cc3cc4cc(C[C@H]5OC(=O)NC5=O)ccc4o3)c(C)o2)c1 29330642 DTIIXLXYEWLPHL-OAQYLSRUSA-N 416.433 4.473 0 1 HIAF CC(C)c1nsc(N2CCC(CCCNc3ccc4c(c3)OCC4=O)CC2)n1 84728372 ARQOVJICMVUBAF-UHFFFAOYSA-N 400.548 4.345 0 1 HIAF [C-]#[N+]c1ccc2ccn(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@H]4CC[C@@H]3N4)c2c1 96175278 HJRDIYKLIUAXLY-APWZRJJASA-N 416.506 4.270 0 1 HIAF CCCCCC(=O)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 101333758 MOKMFJFBQMZAMS-KDURUIRLSA-N 407.466 4.448 0 1 HIAF CC(=O)c1ccc(NC(=O)NS(=O)(=O)[C@H]2CCCCCCCCCCC2=O)cc1 103205221 ZCTNSLDAEKJYMQ-FQEVSTJZSA-N 422.547 4.193 0 1 HIAF Cc1ccc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C(F)(F)F)n2)nc1 143127627 WBBMFHIALBRYNM-UHFFFAOYSA-N 424.430 4.356 0 1 HIAF CC(C)CC[C@@H](C)N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2 143913281 BMMCGTZHEIYFQS-YRXWBPOGSA-N 411.546 4.477 0 1 HIAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)nc2ccc(C(F)(F)F)cc21 144497784 OCPCKFPFCKFYQJ-CYBMUJFWSA-N 411.449 4.423 0 1 HIAF CCN(CC)CCC[C@@H](C)N[C@H](C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1 169342134 IQLAPNNGZXAPIV-HUUCEWRRSA-N 404.990 4.123 0 1 HIAF COC(=O)C1=C[C@@H]([C@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2OCCC[C@@H]12 169355936 COSCUZRDNFVXDW-XBRIKIQZSA-N 409.320 4.297 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2CC2CCCCC2)c1 169707049 ZDALZJFAVUPZKP-FQEVSTJZSA-N 408.546 4.158 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cc(C)ccc2C)c1 169707244 QATJDTUWNKRPAD-FQEVSTJZSA-N 416.525 4.183 0 1 HIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCCC2)c(-c2ccn[nH]2)c1 224309704 LGWBRAJXOQTJQA-UHFFFAOYSA-N 417.391 4.223 0 1 HIAF Cn1nc(-c2cccnc2)c2c1CN(C(=O)c1cccc(C(F)(F)F)c1Cl)CC2 225998287 PSNVMAAHDRWAPM-UHFFFAOYSA-N 420.822 4.353 0 1 HIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4CC(=O)CC[C@@]4(C)[C@H]3CC(=O)[C@]12C 253928519 OHXPGWPVLFPUSM-AWKFCYOFSA-N 402.531 4.073 0 1 HIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 586917232 RQRHHMIGQMDDMJ-BUXKBTBVSA-N 401.260 4.247 0 1 HIAF O=S(=O)(Cc1nc2cc(Cl)cc(F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586951553 YFRSBACFJINYBK-UHFFFAOYSA-N 422.913 4.288 0 1 HIAF N[C@H](Cc1cccc(Br)c1)c1nc2ccc(F)c(Br)c2[nH]1 586984951 WSRYBJVVRCFBET-LLVKDONJSA-N 413.088 4.470 0 1 HIAF CCOC(=O)[C@@H](F)[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586987466 WSSZZAIYXPFRTK-YTEVENLXSA-N 405.425 4.158 0 1 HIAF CN1CCN(c2ccc3nc([C@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3c2)CC1 587075774 KFLITNINSWMBSH-JOCHJYFZSA-N 409.965 4.305 0 1 HIAF COc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1C 587118876 QOUZKBWACDDJSN-UHFFFAOYSA-N 403.202 4.100 0 1 HIAF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(O)c2[nH]1 587140102 BUWACRJXBQJMMZ-OAHLLOKOSA-N 411.886 4.127 0 1 HIAF CN(C)c1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)nc1 587194743 MRWMCPZRBPTJEP-UHFFFAOYSA-N 401.186 4.352 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c(N)c1)(c1ccccc1C(=O)O)O2 587377345 WKLBDFUIPTWNJE-HSZRJFAPSA-N 422.868 4.420 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(c2ccc(O)cc2)=COc2cc(O)ccc21 587410606 YSHVILQFPWOLME-XMMPIXPASA-N 401.418 4.283 0 1 HIAF COC(=O)c1cccc(-c2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2O)c1 587444725 UBUWURUIGGBLEE-NTKDMRAZSA-N 416.429 4.343 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(I)s1)CC2=O 587469321 NEDLTYMHBDPKGR-GFCCVEGCSA-N 415.252 4.112 0 1 HIAF COC(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506635 KUOAWQLPNDOSEL-NRFANRHFSA-N 419.399 4.403 0 1 HIAF C[C@]1(c2ncccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539051 HGMHNASKPAAIPT-JXFKEZNVSA-N 412.239 4.427 0 1 HIAF Cn1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F 587558953 YLNXCDDBRVHTED-VQIMIIECSA-N 404.344 4.022 0 1 HIAF Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nn2)cc1 587583353 VLPWSXKYPWIBPQ-URXFXBBRSA-N 413.433 4.043 0 1 HIAF CCn1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C(F)(F)F 587714931 PYDRWPYDXPTZQT-RTHLEPHNSA-N 406.221 4.447 0 1 HIAF 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STQNCEXOANEFDF-ZDUSSCGKSA-N 402.443 4.110 0 1 HIAF COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCCC3)[C@H]2c2ccc(F)cc2)cc1 4101678 QHTDMJVJHKYWSF-FYYLOGMGSA-N 410.489 4.331 0 3 HIAF O=C(COc1ccccc1Cl)N1N=C(c2ccccc2)C[C@]1(O)c1ccccc1 6574920 YOYPQYYIQSJLJH-QHCPKHFHSA-N 406.869 4.201 0 1 HIAF Nc1cc(O)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 12356369 NKBKVACKOFITSD-FPOVZHCZSA-N 423.582 4.111 0 1 HIAF O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C(Br)=Cc1ccccc12 13738162 QAVMATCJPBGTSO-NHCUHLMSSA-N 410.355 4.298 0 1 HIAF Fc1ccc(CNc2ncccc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)cc1 28570143 QNSXSZFJLUWKGW-UHFFFAOYSA-N 419.416 4.398 0 1 HIAF C[C@]1(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC(C(F)(F)F)=NN1 28710427 FQJKBFJTFRQIDV-LLVKDONJSA-N 418.135 4.077 0 1 HIAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N[C@@H]2CCCNC2)ccc1Cl 28825940 JUYSWACHEITKQL-YLSHDAJPSA-N 401.982 4.450 0 1 HIAF CCc1c(C)[nH]c(=O)c(NNC(=S)Nc2ccccc2)c1Cc1cccc(C)c1 40875904 AVVZHPCUIZFFOM-UHFFFAOYSA-N 406.555 4.458 0 1 HIAF 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HIAF COC(=O)c1cc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587036495 CUTNBQVSRVLJFT-CYBMUJFWSA-N 407.289 4.030 0 1 HIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)ncc(F)c2[nH]1 587147482 OWXWXBOFAFSWNV-UHFFFAOYSA-N 408.181 4.205 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(Br)ncc2[nH]1 587168160 TXZATUTUVNMUOL-CQSZACIVSA-N 404.243 4.229 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2nc[nH]n2)[C@@H]1c1ccc(F)cc1 587334405 MIYDPGZIGQISCX-OFNKIYASSA-N 419.387 4.091 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587338730 RHGDFRCQIPJHIX-PWHSHALESA-N 413.445 4.316 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)O2 587373780 SRGLCWVEUPCRIU-KRWDZBQOSA-N 415.704 4.349 0 1 HIAF CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587379041 RJDMZTGQHPNRNE-VGOFRKELSA-N 401.890 4.377 0 1 HIAF COc1ccc2c(c1)O[C@@H](c1ccccc1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O 587410995 IEMRWYGCMSKKML-DQEYMECFSA-N 415.445 4.306 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(Br)cc1)CC2=O 587457034 DOKAEAROAWLOJP-IBGZPJMESA-N 405.244 4.053 0 1 HIAF COC(=O)c1cc(C=O)n2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cccc12 587519280 XQRYLDRRTGLGAS-JOCHJYFZSA-N 403.434 4.124 0 1 HIAF CCn1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C(F)(F)F 587554066 GSOAFDMCNSCOFE-MAUKXSAKSA-N 404.344 4.330 0 1 HIAF Cc1nc(-c2ccccc2Br)sc1-c1ccc2c(O)nc(O)nc2n1 587564671 VDMAPZDKJAVXOY-UHFFFAOYSA-N 415.272 4.297 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)C1CCOCC1 587585937 ISHXYAGYACVKQZ-XUZZJYLKSA-N 403.434 4.071 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(CCCCC3OCCO3)c(-c3ccc(F)cc3)c2c1 587651028 ZKHGOTANMHQCRU-UHFFFAOYSA-N 417.502 4.463 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(F)cc(Cl)cc12 587738167 KQXBIFXFRMBASX-GJEGPGMTSA-N 413.649 4.111 0 1 HIAF O=C1C[C@H](c2ccc(Br)cc2)C[C@]2(C1)NCCc1c(C(=O)O)cccc12 963136176 YZUGKGJTMFZZDE-LHSJRXKWSA-N 414.299 4.025 0 1 HIAF CC[C@@]1([C@H]2CCCN2C(=O)OC(C)(C)C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963610397 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O=C(N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2ccccc2o1 13601790 GGSIMJVXOSAEBI-JOCHJYFZSA-N 413.408 4.118 0 1 HIAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccc(O)cc3)CC[C@@H]12 26955326 HMUJTAJHDZMXNI-FKHIRMOZSA-N 408.542 4.244 0 1 HIAF O[C@@H](CCN1CCN([C@@H]2C=Cc3ccccc3N2)CC1)c1csc2ccccc12 27412849 OJOWITMTCTZCJP-LADGPHEKSA-N 405.567 4.407 0 1 HIAF COc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1OC 28823101 MNTWBBGJJCVNIX-FQEVSTJZSA-N 423.534 4.141 0 1 HIAF CC(=O)c1ccc(OCCCCCOc2ccc3c(=O)cc(C(=O)O)oc3c2)cc1 39213223 ZUPCVVIVKLPECQ-UHFFFAOYSA-N 410.422 4.322 0 1 HIAF COc1cc2ncnc(N3CCN[C@@H](c4cc(Cl)ccc4Cl)C3)c2cc1OC 43193798 KIOKPJQKQIEGPJ-QGZVFWFLSA-N 419.312 4.105 0 1 HIAF CCOC(=O)CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49112918 JUXYBFRKUPRJRJ-CQSZACIVSA-N 415.317 4.046 0 1 HIAF O=S(=O)(Cc1ccccc1)N[C@@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1 73162794 CVQPIJQGJBNBPN-FQEVSTJZSA-N 423.469 4.085 0 1 HIAF O=C(Nc1cccc(N2CCCCC2)n1)Nc1cccc2c1[C@H]1CCCCN1C2=O 95579663 WDKKKLHFWNLZLI-GOSISDBHSA-N 405.502 4.397 0 1 HIAF CC(C)(C)c1ccccc1N1CCN(C(=O)C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)CC1 114543506 UFIQNYCAFNWRET-JKRLWXMKSA-N 424.585 4.304 0 1 HIAF COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)CCc1ccc(O)c-2c1 142845199 DUKDUISHTJYQFV-FIKGOQFSSA-N 423.509 4.321 0 1 HIAF Cc1ncc(C(=O)N[C@]23CCC[C@@](NC(=O)c4cccc(Cl)c4)(CC2)C3)s1 169710854 PLUGGALXTRCKCA-WOJBJXKFSA-N 403.935 4.110 0 1 HIAF CCOC(=O)[C@H]1C(CC)=NC(=O)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729865 LPNXHPGMPNQJLI-SFTDATJTSA-N 410.470 4.069 0 1 HIAF CC(C)(COc1ccc(-c2cnc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1)C(=O)O 200821906 WSTFLJFNBKBMMM-UHFFFAOYSA-N 406.364 4.042 0 1 HIAF O=C(CCCNC(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21 205359186 DRQCKOPZFQBCIW-LJQANCHMSA-N 404.432 4.409 0 1 HIAF COC1=C(OC)[C@H](O)[C@H](C/C=C(\C)CC/C=C(\C)C[C@H](O)C=C(C)C)[C@@H](C)C1=O 211358570 YHFPMZZFCMHQCT-CKCWYVJRSA-N 406.563 4.467 0 1 HIAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cccc(CO)c3)[nH]c2c1 586895745 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1857534141 WDVATSNGZZPLLU-UHFFFAOYSA-N 419.477 4.129 0 1 HIAF COc1ccccc1-c1ccc(C(=O)N2[C@H](C(=O)O)CS[C@@H]2c2ccccn2)cc1 1857747302 YYSGANIBNIEQTO-SIKLNZKXSA-N 420.490 4.098 0 1 HIAF CC(=CCOc1cc(O)c2ccc(=O)oc2c1)CCC=C(C)CC[C@H](O)C(C)(C)O 2356436754 YYIUCUSMWAUULF-QFIPXVFZSA-N 416.514 4.462 0 1 HIAF CCc1nc(-c2nc(C=C[C@@H](OC)[C@H](C)C(=CC(=O)OC)OC)cs2)cs1 2356505123 SJCBHNAYTHVEQH-SWLSCSKDSA-N 408.545 4.197 0 1 HIAF Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 2921740 CXITWSLMJOBQHH-ZIAGYGMSSA-N 413.518 4.072 0 1 HIAF CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1Cl)[C@H](O)C(C)(C)O2 3807495 HSNXWBWNKQWFON-ROUUACIJSA-N 408.281 4.199 0 1 HIAF COC(=O)N[C@H](/C(C(=O)OC)=C(\C)NCc1ccccc1)c1ccc2ccccc2c1 7992448 UANAVJPLSPIPLW-RJYQMNAMSA-N 418.493 4.474 0 1 HIAF C[C@H](OC(=O)c1ccccc1)n1c([S@@](=O)Cc2ccccn2)nc2ccccc21 13820768 XNXLQABJKJXONG-GUNSETOZSA-N 405.479 4.115 0 1 HIAF COc1ccc(-c2cc(-c3ccc(O)cc3)nc(NCCCn3ccnc3)n2)cc1 28530794 BZVCOBRIACBOLN-UHFFFAOYSA-N 401.470 4.224 0 1 HIAF COc1c(C)c([C@]2(C)O[C@H]2/C(C)=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@@H]23)oc(=O)c1C 33953556 JSVLNARHSWZARV-FOOXNAEUSA-N 416.514 4.107 0 1 HIAF Cc1ccc(-c2ncc(C(=O)c3ccc(F)cc3)n2S(=O)(=O)c2ccccc2)cc1 64528095 KMKMFBAGCFKJPO-UHFFFAOYSA-N 420.465 4.466 0 1 HIAF CCCOc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OCC)c2)ccc1O 95582054 DYPNMNPGAPRDCE-RBUKOAKNSA-N 414.498 4.163 0 1 HIAF Nc1nc(-c2ccc(F)cc2)cc(-c2ccc([C@@H]3NC(=O)c4ccccc4N3)cc2)n1 96909915 CNODNCVQRSJUOM-QFIPXVFZSA-N 411.440 4.386 0 1 HIAF CC1(C)CCC[C@]2(C)[C@H](OC(=O)/C=C\c3ccc(O)cc3)[C@H]3CO[C@H](O)[C@H]3[C@]12C 238755599 MEIBKHXXKNZYPZ-SQLMTIRTSA-N 400.515 4.135 0 1 HIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](F)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299849000 ZQZFTIODRGJPCF-RLOCNGRPSA-N 410.570 4.426 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2c1 587140285 XJVYCJUMYNRNIJ-UHFFFAOYSA-N 413.193 4.315 0 1 HIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587260347 VOGZXAWQTORKFA-HNNXBMFYSA-N 424.398 4.427 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(c3cccc(F)n3)CC2)[C@@H]1c1ccc(F)cc1 587332802 DPZQHDFMNNWPHD-JOCHJYFZSA-N 422.431 4.464 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1c(-c3ccccc3)cc3ccccn13)O2 587393668 KAMFLPOTGBBTEV-VWLOTQADSA-N 412.445 4.442 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@H]1CC 587475193 KBLCONDYZQRMBH-FATZIPQQSA-N 417.502 4.242 0 1 HIAF CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 587499026 QIJRRCKASAZWHB-OAQYLSRUSA-N 412.283 4.165 0 1 HIAF CCn1ncc(Br)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587676872 GLPAANAQEFSSSD-RMLUDKJBSA-N 417.120 4.191 0 1 HIAF COC(=O)/C=C/c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587805138 GVUSYGUQUSWVIP-NATOANOZSA-N 404.279 4.398 0 1 HIAF COC(=O)c1coc2c1[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587829018 PTMOWHBRVXABHU-APBUJDDRSA-N 408.267 4.082 0 1 HIAF CCOC(=O)[C@H](CC)[C@]1(c2ccccc2)NCCc2cc3cccc(OC)c3nc21 963061839 VRKJFZFBAMPBDM-CPJSRVTESA-N 404.510 4.222 0 1 HIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc(F)c(F)c2F)N1 963206883 ZDUZVPRQNZCQMZ-MEBBXXQBSA-N 409.713 4.464 0 1 HIAF COc1ccc2c(c1)[C@]1(CCOC3(CCOCC3)C1)N(Cc1ccc(F)cc1)CC2 963303515 PZESROJFRYLPNJ-RUZDIDTESA-N 411.517 4.448 0 1 HIAF CCOC(=O)c1sc(Oc2ccc([C@H]3NCCc4ccc(O)cc43)cc2)nc1C 963350869 DSIXAOJKRQNMAJ-LJQANCHMSA-N 410.495 4.361 0 1 HIAF Cc1ccc(-c2ccc(CNc3c(C)nc4c(N5CCOCC5)nccn34)cc2)cc1 1772631888 HKHXVOQJHFYCLY-UHFFFAOYSA-N 413.525 4.462 0 1 HIAF COc1ccc(N(Cc2ccccc2)C(=O)NCCCn2cncc2C)cc1OC 1857554322 PVZPKFKGWPUPME-UHFFFAOYSA-N 408.502 4.015 0 1 HIAF CCN1CCC[C@H]1CNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 5025892 PCJHPJKWAQUXIC-HNNXBMFYSA-N 402.951 4.169 0 3 HIAF aggregator CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4049035 IMFXGXVIAMNINI-CUYJMHBOSA-N 414.505 4.333 0 1 HIAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc2ccccc2c1 13601797 NBKXBXVNACLLCU-XMMPIXPASA-N 405.457 4.385 0 1 HIAF CCc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1 13797294 CUMNPPRDFFGUEM-UHFFFAOYSA-N 407.892 4.171 0 1 HIAF Cc1cccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)c1 20581237 TZAOSPCJJHVSAD-UHFFFAOYSA-N 402.419 4.209 0 1 HIAF COc1cc(CCC2c3cccc(O)c3C(=O)c3c(O)cccc32)cc(OC)c1OC 26953158 LVILGOATMWMJLC-UHFFFAOYSA-N 420.461 4.433 0 1 HIAF O=C(O)C[C@H](O)C[C@H](O)CCc1c(Cl)cc(Cl)cc1OCc1ccccc1 29328481 VWKZOIOUHUHQKZ-HZPDHXFCSA-N 413.297 4.092 0 1 HIAF in-vitro O=S(=O)(Nc1ccc(Br)cc1)c1ccc2[nH]c3ccncc3c2c1 40879304 IMVFWWHMRBYHPL-UHFFFAOYSA-N 402.273 4.279 0 1 HIAF COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)CC1 40895973 JWSYZFAQFDVEKK-UHFFFAOYSA-N 422.916 4.323 0 1 HIAF CN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(O)cc6)ccc45)nc23)CC1 40899002 IAHVSHNBRRKKBX-UHFFFAOYSA-N 424.508 4.231 0 1 HIAF CC[C@H](C)CNC(=O)c1cncc(-c2cccc(CN(C)C3CCN(C)CC3)c2)c1 45301996 YDLPZEPKNKMJMB-IBGZPJMESA-N 408.590 4.051 0 1 HIAF C[C@H]1CN(C(=O)c2ccc(-c3ccncc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 49021643 DEJJOJYOGXNYJR-SFHVURJKSA-N 424.504 4.217 0 1 HIAF CCN(CC)CCN(C)c1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1 66058866 YZYWRIRBKREDKI-UHFFFAOYSA-N 405.542 4.195 0 1 HIAF CCCCCNc1ncnc2c1nc(C1CCCCC1)n2CCCN1CCCC1=O 82186521 DKPYJNCZHIBMNY-UHFFFAOYSA-N 412.582 4.489 0 1 HIAF COc1c(O)c(CCc2ccccc2)c2oc(-c3ccc(O)cc3)cc(=O)c2c1O 85633030 UJLJSQRDKOSNAE-UHFFFAOYSA-N 404.418 4.371 0 1 HIAF biogenic,in-vitro COc1cc(-c2cnc(C(=O)c3ccc(Br)cc3)[nH]2)cc(OC)c1OC 95580717 HAXMFPJQMWUTII-UHFFFAOYSA-N 417.259 4.096 0 1 HIAF C[C@H]1C/C=C/C[C@@H](c2ccc(F)cc2)NC(=O)[C@H](C)N(C)C(=O)c2ccccc2O1 95662661 GDGOWZRPPFKRJA-CEHAPMRJSA-N 410.489 4.261 0 1 HIAF Cc1nc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@H]2c2cccs2)sc1C 110821828 YUZMXWGVWFTQKU-UONOGXRCSA-N 402.522 4.039 0 1 HIAF Cc1cnc(C)c(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 116827076 DKVIZUUTLAGTIC-HDICACEKSA-N 404.539 4.030 0 1 HIAF Cc1ccc(NC(=O)C2(O)CCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144283936 KFYMUIABJNFZCN-UHFFFAOYSA-N 415.493 4.412 0 1 HIAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCc4cnco4)cc3)oc2c1 168598470 QPSYBNBEPPZVTG-AWEZNQCLSA-N 416.437 4.312 0 1 HIAF O=S(=O)(c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2)N1CCOCC1 169311184 LPXBZYACXYOFTH-ZLQYOWTRSA-N 424.566 4.004 0 1 HIAF COC(=O)CNc1cccc([C@@H](C)Nc2cc(-c3cccc(OC)c3)nc(C)n2)c1 205830235 VMAFIYLDMOGRBG-OAHLLOKOSA-N 406.486 4.219 0 1 HIAF Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4F)cc3)ccc12 299837977 PTVOZHCTMAQRJE-UHFFFAOYSA-N 416.865 4.405 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(F)cc2[nH]1 586935578 IWCQTBLHHCYZLW-INIZCTEOSA-N 407.536 4.092 0 1 HIAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586951437 NQPBWONGNAOYIP-UHFFFAOYSA-N 410.830 4.039 0 1 HIAF Brc1cc2c(cc1/C=C\c1nc3c(Br)ccnc3[nH]1)OCO2 586998599 LQBLYOCQGDMNPK-UPHRSURJSA-N 423.064 4.382 0 1 HIAF Cc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)sc2c1C(=O)N1CCC=C1N2 587029854 UNSFTKXCNMLJBT-UHFFFAOYSA-N 402.382 4.034 0 1 HIAF Cc1csc([C@@](O)(Cc2nc3cc(C)c(Br)cc3[nH]2)C(F)(F)F)n1 587095139 YIINGTVCUQYTOY-AWEZNQCLSA-N 420.254 4.391 0 1 HIAF Oc1c(Br)ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587120103 REVLSUYCMODVPN-UHFFFAOYSA-N 415.213 4.173 0 1 HIAF Cc1cc(-c2nc3c(cnc4ccccc43)[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125352 PNWTUVRAAFONED-UHFFFAOYSA-N 406.389 4.348 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(F)cc(Br)c3[nH]2)C(F)(F)C1 587132812 VKMUHIXHAGPGBX-SECBINFHSA-N 420.229 4.434 0 1 HIAF COC(=O)c1ccnc2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc12 587138415 HWUXUZSJMZCHAS-UHFFFAOYSA-N 409.348 4.055 0 1 HIAF Nc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1N 587161525 UQPVLGQHMUZXGG-UHFFFAOYSA-N 414.238 4.483 0 1 HIAF CN(C)/C=C/[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331060 ADQOCLHOAVHFCW-UYIKPYIWSA-N 404.441 4.256 0 1 HIAF CN(C)CCOc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587569120 FELBNCQCJOQFAU-RCZVLFRGSA-N 419.477 4.210 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccc3Cl)c2c1 587649217 MEFUYELMIMUUET-UHFFFAOYSA-N 401.793 4.475 0 1 HIAF C[C@@H](NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1ccccc1 587660777 TVEKKMVQKQLRNI-MRXNPFEDSA-N 401.441 4.194 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587696004 KKOCNLFKXATFOU-DCXZOGHSSA-N 409.686 4.280 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](N)Cc1ccccc1 587865964 RCDXWWHECPGLTP-KRWDZBQOSA-N 403.404 4.178 0 1 HIAF C[C@]1(c2ccc(-n3cccc3)cc2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962716253 WIUQLCSOMJEUGT-PZJWPPBQSA-N 418.390 4.498 0 1 HIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2cc(Br)c[nH]2)N1 963188925 UOMCGVNSICGFGC-QWHCGFSZSA-N 423.616 4.138 0 1 HIAF CC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccc(C4CC4)cc3)c2C2CC2)C1 1772572922 CRLIFIZTIUYRMF-UHFFFAOYSA-N 420.557 4.333 0 1 HIAF CCN1CCN(c2ccc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)cc2F)CC1 1857566605 UPXATSMOHQADPY-UHFFFAOYSA-N 423.540 4.254 0 1 HIAF COC(=O)[C@@H]1CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccccc3)[C@@H]12 2356390930 MYUACHJYYCBZTB-XKKYTWKOSA-N 414.542 4.244 0 1 HIAF CCc1ccc(CCNC(=O)OCCCN2CCC3(CCC(C)CC3)C2=O)cc1 96019355 ASUHTICPGSIHNF-UHFFFAOYSA-N 400.563 4.337 0 3 HIAF Cc1cccc(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2ccccc2)c1 10394917 VYTQHUNQKWZYFZ-UHFFFAOYSA-N 422.539 4.133 0 1 HIAF COc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCCC3)c2)CC1 12356358 KLAJXRZDLXCVHZ-UHFFFAOYSA-N 407.558 4.034 0 1 HIAF O=C1C[C@H](c2ccccc2)c2c(O)cc(O)c(C(=O)CCc3ccc(O)cc3)c2O1 13382649 HGMBLMAQBAQIBW-QGZVFWFLSA-N 404.418 4.060 0 1 HIAF biogenic COc1cc2c(cc1OC)CN(C(=O)[C@H](NCC1CCCCC1)C(C)(C)C)CC2 13588133 LINUTILUQQLJPE-QFIPXVFZSA-N 402.579 4.173 0 1 HIAF CCN(CC)CCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 13812763 UJWFQKNVQJGDQI-UHFFFAOYSA-N 420.344 4.056 0 1 HIAF CC(C)C[C@H](CO)Nc1nc(S[C@H](C)c2ccccc2)nc2[nH]c(=O)sc12 36471008 IAGWEZFSRRPOSS-TZMCWYRMSA-N 404.561 4.052 0 1 HIAF Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc(CNC(=O)N(C)O)c(F)c2)no1 45388052 HPKLHKDVODDHRV-UHFFFAOYSA-N 408.792 4.174 0 1 HIAF CC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(C)c(-c2ccccc2)[nH]1 45498416 XTAZADVDKLCIPI-QFIPXVFZSA-N 424.589 4.424 0 1 HIAF CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(C)cc1)S2 95555194 GAXDNYTWZRXOEK-UUMRFZBWSA-N 421.566 4.294 0 1 HIAF Cc1cccc(-n2ncc3c2C(C)(C)CCN([C@@H]2[C@H]4CC5C[C@@H]2C[C@](O)(C5)C4)C3=O)c1 101668450 GDPNNZFTLYUMTF-YEURKVJNSA-N 419.569 4.244 0 1 HIAF Cc1ccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)cn1 118396887 TWCZVWMQDKHBMZ-HXUWFJFHSA-N 416.460 4.166 0 1 HIAF Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3cccc(Cl)c3)N2S(C)(=O)=O)cc1 137006610 YGHFNVATXYPWLK-OALUTQOASA-N 405.903 4.107 0 1 HIAF Cc1ccc(-n2cnnc2SCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1Cl 586967738 DVNAITBHDHPFOF-KRWDZBQOSA-N 413.894 4.121 0 1 HIAF Fc1cc(Br)cc2nc(C(F)(Br)Br)[nH]c12 587088632 QVGSVYNPIFMFFY-UHFFFAOYSA-N 404.834 4.334 0 1 HIAF CCOC(=O)Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167461 NMLLCGZINGOADQ-IBGZPJMESA-N 410.449 4.177 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cn4cc(Cl)cn4)c(C)s1)[C@@H](C2)C3=O 587449122 AYZGMISJGIQQED-MGPUTAFESA-N 400.887 4.452 0 1 HIAF C[C@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552207 OPCHFFNRMUQKNT-IIBYNOLFSA-N 407.813 4.146 0 1 HIAF CN(C)/C=C/[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567485 ASIJWHKIMYANKD-ZOXDJDRJSA-N 405.425 4.464 0 1 HIAF O=C1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc2N1 587569051 JZMLUBSMQWHQCY-NFBKMPQASA-N 405.381 4.121 0 1 HIAF CC[C@@H]1CCCCN1C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580849 FBQKFSZHQZYJSY-YOJAFSQSSA-N 409.482 4.294 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3cccc(Cl)c3)n2)N1 587697496 GSHJGMAFZRWRAP-XTZNXHDOSA-N 421.701 4.446 0 1 HIAF COc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1 587777673 ISKIFMGCHLCIKT-APBUJDDRSA-N 417.278 4.474 0 1 HIAF Cc1[nH]c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1CCC(=O)O 587795499 XSRHDAWIYUESCI-UGZDLDLSSA-N 409.299 4.174 0 1 HIAF COC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587811268 WEFWTAXGZBMBTR-PTPDTQQLSA-N 418.306 4.101 0 1 HIAF CCS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587850617 QUGUSVXCDGCCIR-BBATYDOGSA-N 412.324 4.005 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc2c(c1)ncn2C 587862804 KHGPRXINFWSABG-UHFFFAOYSA-N 400.360 4.153 0 1 HIAF CC(C)(C)C[C@@]1(c2ccccn2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636159 PFLMNARBUQEVRP-XOBRGWDASA-N 408.420 4.259 0 1 HIAF COc1cc(NC(=O)c2ccccc2-n2cc3ccccc3n2)cc(OC)c1OC 1772575477 WTWLBGWNNMZYRK-UHFFFAOYSA-N 403.438 4.304 0 1 HIAF FC(F)(F)c1cc(Cl)nc(N2CCC(NC(=S)Nc3cccnc3)CC2)c1 1857561101 ZRHNZKDVAUCKPQ-UHFFFAOYSA-N 415.872 4.104 0 1 HIAF C[C@@H](NC(=O)NS(=O)(=O)c1ccccc1)c1ccccc1OCc1ccccc1 1857633684 YFIJSZRSFJBALS-QGZVFWFLSA-N 410.495 4.015 0 1 HIAF CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)Nc2ccc(F)cc2F)cc1 61926904 BQNMVAQRXKZDKB-HSZRJFAPSA-N 400.469 4.435 0 3 HIAF CCOC(=O)C1=C(C(=O)OCC)[C@@]2(c3ccccc3)N(O1)c1ccccc1C2(C)C 5828626 FZNFTULABUEKRW-XMMPIXPASA-N 407.466 4.005 0 1 HIAF O=C1C[C@@H](c2ccccc2)c2c(O)cc(O)c(C(=O)CCc3ccc(O)cc3)c2O1 13382648 HGMBLMAQBAQIBW-KRWDZBQOSA-N 404.418 4.060 0 1 HIAF biogenic O=C(c1ccco1)N(c1ccnc(Cl)n1)C1CCN(CCc2ccccc2)CC1 27740630 MOLDJIBKRUSSPC-UHFFFAOYSA-N 410.905 4.077 0 1 HIAF O=C(NC1CC1)c1cnc(N2CCC(COc3cccc(F)c3)CC2)c(Cl)c1 45191050 GDRKKNSFMCBCMN-UHFFFAOYSA-N 403.885 4.062 0 1 HIAF COC(=O)[C@@H]1[C@@H](OC)Sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 58538436 CEZHWHUQYGOXFW-QPPBQGQZSA-N 421.518 4.262 0 1 HIAF Cc1ncn(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(C)n2)n1 64513202 JEUOZPIRCVUJQQ-UHFFFAOYSA-N 404.861 4.247 0 1 HIAF CCN(CC)C(=O)NC1CCN([C@@H](c2ccc(OC(C)C)cc2)c2cccnc2)CC1 72103890 YRQCJMROYXAXMV-DEOSSOPVSA-N 424.589 4.474 0 1 HIAF CC(=O)O[C@H](C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 72113077 MTODOXQNCGXXDF-AWEZNQCLSA-N 404.846 4.181 0 1 HIAF O=C1O[C@@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCCC1 144044020 SLLRBAPSNJOVOL-DEOSSOPVSA-N 419.569 4.157 0 1 HIAF Cc1cccc(C(=O)N[C@@]2(C(=O)O)Cc3ccc(C(F)(F)F)cc3C2)c1OC(C)C 146719745 PMGMYYQMBLQSCM-NRFANRHFSA-N 421.415 4.153 0 1 HIAF C[C@H]1CCN(c2cnc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)cn2)C1 169706669 YLWWTQCEOSVPGY-HNNXBMFYSA-N 414.517 4.474 0 1 HIAF COC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 169720308 WPVQQAJSKUHFNZ-FCHUYYIVSA-N 421.424 4.401 0 1 HIAF Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccsc1C(N)=O 230560019 IVETXNLXURZBME-UHFFFAOYSA-N 406.511 4.070 0 1 HIAF CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 261183695 WRYYRMHEPCBQIZ-JCNLHEQBSA-N 414.529 4.009 0 1 HIAF COc1ccc2nc(CC/C(C)=C\Cc3c(O)c4c(c(C)c3OC)COC4=O)[nH]c2c1 586915574 OCVKAXXXSLNTOE-ACAGNQJTSA-N 422.481 4.386 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)ncc(F)c2[nH]1 587180249 FVFRJHXKOAFCAE-ZCFIWIBFSA-N 419.629 4.190 0 1 HIAF FC(F)(F)c1ncc2nc(-c3cc(Cl)cc(I)c3)nc-2[nH]1 587182078 DJQCUUOQOKYDKO-UHFFFAOYSA-N 424.551 4.248 0 1 HIAF O=C(NCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)OCc1ccccc1 587228189 KLYHAOSJMGSFML-UHFFFAOYSA-N 414.334 4.081 0 1 HIAF O=C(/C=C\c1nc2c(Br)cnc(Br)c2[nH]1)Nc1ccccc1 587244988 UIUVQBJABZQXLX-SREVYHEPSA-N 422.080 4.135 0 1 HIAF O=C1C[C@]2(C[C@H](c3ccccc3)N1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343278 BAUYKGPXJKTVCT-XRODADMRSA-N 417.436 4.280 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2[C@H](C(=O)O)NC[C@@H]32)c1 587364301 ZUEDPXNJRDOXPE-XSSDXNQZSA-N 414.461 4.359 0 1 HIAF COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)O[C@@H](C)C2 587617942 RPHZAXDSQNCHTD-DKEVXLODSA-N 404.418 4.427 0 1 HIAF Brc1cc2n[nH]cc2c2[nH]c(-c3ccccc3)c(CN3CCOCC3)c12 587623978 VCGPMTRKALWRRE-UHFFFAOYSA-N 411.303 4.306 0 1 HIAF C[C@@H](CC(=O)O)[C@@]1(c2ccc(N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587744746 IIXJJEXGHDWUIM-ZBUHCNDUSA-N 421.310 4.059 0 1 HIAF CCOC(=O)CC[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587771314 BVRWFQPGHUBILS-RBZFPXEDSA-N 421.310 4.104 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC[C@@H]2OCc2ccccc2)N1 587836829 XTIGEYZUYZUPFT-PUCZYUMASA-N 420.322 4.323 0 1 HIAF CCOC(=O)[C@@H]1CCSCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587856977 JUGGBHFOOGTATD-YNKQFZHNSA-N 416.356 4.024 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)nc2onc(C)c12 587871054 YAYCMFKNIOZQQI-UHFFFAOYSA-N 406.417 4.498 0 1 HIAF CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587923805 PPDWRSNHIDWPHS-GOSISDBHSA-N 416.524 4.490 0 1 HIAF FC(F)(F)Oc1ccc(-c2cccc(N3CCN(c4ccccn4)CC3)n2)cc1 653767495 KFVAWOIYPQVVRD-UHFFFAOYSA-N 400.404 4.369 0 1 HIAF COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccc(F)cc2)cc1C 653856210 GUUSHOABIYMOKQ-OAQYLSRUSA-N 411.477 4.008 0 1 HIAF CCOC(=O)CCC[C@]1(c2ccccc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962731949 VCDQYOHYRCIZEM-DENIHFKCSA-N 419.443 4.309 0 1 HIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1 962964974 KISCAGYHOABXRX-NHYWBVRUSA-N 407.722 4.031 0 1 HIAF C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1c(F)c(F)c(F)c(F)c1F 1857605466 UBONKVGSVVVWRS-ZETCQYMHSA-N 404.722 4.393 0 1 HIAF O=C1N[C@H](Cc2ccccc2)c2nc3ccc(F)cc3c(=O)n2-c2cc(Cl)ccc21 61949312 SJULNTRADCHVLW-LJQANCHMSA-N 419.843 4.205 0 3 HIAF O=C(Cn1nc(Br)c(Br)c1Br)c1ccccc1 1857901 VFXYTEYIICXJJO-UHFFFAOYSA-N 422.902 4.054 0 1 HIAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4213283 VJXQRQLJWUWQOV-MTNREXPMSA-N 403.567 4.166 0 1 HIAF COC(=O)[C@@H](c1ccc(OC)c(OC)c1)[C@@H]1c2ccccc2C=C(C)N1C(=O)OC 8682202 RUBBAQAIHUWYNP-SFTDATJTSA-N 411.454 4.145 0 1 HIAF O=C(O)C[C@](O)(CCSCCCCCc1ccc(Cl)cc1Cl)C(=O)O 13758167 PEBJIYTXHVGTBI-QGZVFWFLSA-N 409.331 4.120 0 1 HIAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)CCC1CCC1 25964822 AIYUGQTUWWVURD-BRGBLKCLSA-N 406.563 4.120 0 1 HIAF O=C(NC[C@@H]1CNc2ccccc2C(c2ccccc2F)=N1)c1cc2ccccc2[nH]1 27520928 HGKIQPBLDGUPTC-KRWDZBQOSA-N 412.468 4.369 0 1 HIAF CCCN(CCC)c1c(C[C@@H](C)O)nc(-c2c(C)cc(C)cc2OC)nc1OC 38395146 NETYIQUXXGHKOM-QGZVFWFLSA-N 401.551 4.327 0 1 HIAF O=C(Nc1ccc(Nc2ccccc2)cc1)C1=C(O)C[C@@H](Cc2ccccc2)NC1=O 100076078 XJLQZSCQHJFFRV-OAQYLSRUSA-N 413.477 4.312 0 1 HIAF NC1CCC(Oc2ccc(Cl)cc2NC(=O)c2csc3cncnc23)CC1 113651438 DCYIETGZKOBSIJ-UHFFFAOYSA-N 402.907 4.246 0 1 HIAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 116823033 LZTSTMNHWRCGAK-HDICACEKSA-N 404.539 4.030 0 1 HIAF CC(C)(O)C(=O)N[C@H]1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 166645006 GZKYUDSORDLWAR-NRFANRHFSA-N 419.525 4.057 0 1 HIAF CC(C)(C)OC(=O)NCc1ccc(-c2ccc3ncc(-c4ccncc4)n3n2)cc1 169306638 CENSZEUSQMXTJY-UHFFFAOYSA-N 401.470 4.483 0 1 HIAF COc1cc(F)ccc1-c1nc(Nc2cccc(C[S@](C)(=N)=O)c2)ncc1F 206888774 ZALAVZQOVAVODO-MUUNZHRXSA-N 404.442 4.351 0 1 HIAF Cc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4)cn3)c2)ccn1 215992430 UVLFZOYBIPADQR-UHFFFAOYSA-N 412.453 4.472 0 1 HIAF in-vitro Cc1nc(-c2cc(C(=O)N3CCC(c4ccn5cnnc5c4)CC3)ccc2C)c(C)[nH]1 219095894 PUQRZTUCYMYRQZ-UHFFFAOYSA-N 414.513 4.064 0 1 HIAF NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccoc3)n2)CC1 299830184 WYUNISRVGSTYKL-IYARVYRRSA-N 405.502 4.052 0 1 HIAF COC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C(F)(F)F)cc1 299857664 OMMISLZOHBCZNJ-UHFFFAOYSA-N 409.360 4.219 0 1 HIAF NC(=O)c1[nH]c(=Nc2ccc3ccc(F)cc3c2)sc1NC(=O)c1ccsc1 473164925 FQBXUYJACLLMCI-UHFFFAOYSA-N 412.471 4.014 0 1 HIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Br)cc2[nH]1 586974697 XIPCHRDFYJTQNE-KRWDZBQOSA-N 404.333 4.436 0 1 HIAF CN(CCc1c(-c2cccnc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O)N=O 586987371 DXZJQOVGUKOYCH-UHFFFAOYSA-N 410.433 4.370 0 1 HIAF Cc1nccc2[nH]c([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc12 587141915 ZEPTWEQHZGQEQX-INIZCTEOSA-N 410.902 4.125 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)cc(F)cc2[nH]1 587181207 OOBIWYICWQCZRP-SSDOTTSWSA-N 402.186 4.280 0 1 HIAF C[C@]1(c2ccc(-n3cncn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344125 VXZCSHGEEFDUMF-ISKFKSNPSA-N 415.424 4.386 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccncn2)[C@H]1c1ccc(F)cc1 587345955 KPXBWGATCQTWNB-UPVQGACJSA-N 413.408 4.019 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2[C@@H](CC3)CN[C@H]2C(=O)O)c1 587362812 LAAMNRAOUGYJHX-MHALITNNSA-N 414.461 4.359 0 1 HIAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587429589 QAOPRLSQXOGHPI-HBVFZEQNSA-N 423.509 4.337 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1sc(=O)n(Cc4ccccc4)c1Cl)[C@@H](C2)C3=O 587454165 VLUMBEVNANBHLL-KBXCAEBGSA-N 413.882 4.109 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCCCC3)cc1)CC2=O 587476618 VSWUEYKQZNEXBG-QHCPKHFHSA-N 423.509 4.443 0 1 HIAF COc1ccc(OC)c([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521222 BMEKSDYRRGEUNL-XMMPIXPASA-N 410.466 4.308 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587788911 AOYQXVRRPBIVKH-DYBLOJMWSA-N 409.299 4.333 0 1 HIAF COc1ccc(-c2ccc3c(c2)CC[C@H](CN(C)C)[C@@]3(O)c2cccc(O)c2)cc1 653817006 REJVTFQRRKCLRS-GJZUVCINSA-N 403.522 4.428 0 1 HIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3csc(Br)c3)N12 962625044 AVGNXUWWWVWKQS-LPHOPBHVSA-N 417.328 4.247 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@]2(CCc3c(F)cc(F)cc32)N1 962924181 NSYSFTXQOQIQSK-LADGPHEKSA-N 423.415 4.251 0 1 HIAF COC(=O)[C@@]1(c2c[nH]c3ccccc23)c2ccsc2CCN1Cc1cccnc1 963010406 NJSVQMWRCUGJKV-QHCPKHFHSA-N 403.507 4.099 0 1 HIAF CC(=O)Oc1ccccc1[C@@]1(c2cc(F)c(F)c(F)c2)NCCc2ccc(O)cc21 963340810 IKNLIJJKVSRSIK-HSZRJFAPSA-N 413.395 4.172 0 1 HIAF CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccc(N)cc4[nH]3)o2)C1=O 1857533970 YFXDTGJKDPDLSB-ZSOIEALJSA-N 400.485 4.334 0 1 HIAF CS(=O)(=O)c1ccc(Nc2nccc(Nc3nc4ccc(F)cc4s3)n2)cc1 1857600061 BCUYYUDBWFEFMN-UHFFFAOYSA-N 415.475 4.116 0 1 HIAF CCCSc1nc(Sc2nncs2)c2[nH]c(=Nc3ccccn3)sc2n1 1857636443 CFRXPOGHSRDQJC-UHFFFAOYSA-N 419.586 4.152 0 1 HIAF O=C1[C@H]2C[C@@H](CN2C(=O)c2ccccc2F)Oc2ccccc2N1Cc1ccccc1 2356299817 OSQJGMFOCABJFA-PGRDOPGGSA-N 416.452 4.035 0 1 HIAF CC(C)=CCc1ccc2c(c1O)C(=O)c1c(O)cc(C)c3c1[C@H](O2)[C@H](C(C)(C)O)CO3 3652683 MYJGUMZTENHAAQ-OYLFLEFRSA-N 424.493 4.359 0 3 HIAF biogenic,in-vitro CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1OC 775201 DORXOKAHBMWNAE-KDOFPFPSSA-N 412.461 4.293 0 1 HIAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4051607 SWGYVGTXKHCPCJ-VIOWHOEJSA-N 418.896 4.094 0 1 HIAF CCN1c2ncc(COc3ccccc3O)cc2C(=O)N(C)c2ccc(Cl)nc21 6385146 DEISFYWLJQPQHD-UHFFFAOYSA-N 410.861 4.163 0 1 HIAF COc1c(C(=O)NC[C@H]2CCCN2C2CCC2)cc(Br)c2ccccc12 13862880 AFSSAOBKLVREBP-OAHLLOKOSA-N 417.347 4.358 0 1 HIAF Cn1nnc2c(N[C@@H]3CCOC(C)(C)C3)nc(Cc3ccc(Cl)cc3Cl)nc21 20444089 YOZQCENLPQBWHL-CYBMUJFWSA-N 421.332 4.025 0 1 HIAF OCCN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CC1 22937852 JSBWGXQXCRYYTG-FPOVZHCZSA-N 408.439 4.031 0 1 HIAF in-vivo C[C@@H](CCc1ccccc1)NC[C@@H](O)COc1ccc(CCOCC2CCC2)cc1 25967048 IYSSLVYNZYSAIT-SQJMNOBHSA-N 411.586 4.396 0 1 HIAF CCOC(=O)CCCOc1nc(Nc2ccccc2)nc2cc(OC)c(OC)cc12 27299700 NZXZEYGXXZAAEE-UHFFFAOYSA-N 411.458 4.113 0 1 HIAF CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1 28522549 OGNQPZZBYMJJLW-UHFFFAOYSA-N 407.401 4.491 0 1 HIAF CC(C)N(Cc1ccc(Cl)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40420955 YCMYRZGROHDRGH-OAQYLSRUSA-N 420.891 4.008 0 1 HIAF COc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1 45191681 CGVVBGLBDXBCSH-XBXARRHUSA-N 420.340 4.406 0 1 HIAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1ccccc1C(F)(F)F 73141810 MGHXJPGFHCEQPA-AZUAARDMSA-N 408.372 4.104 0 1 HIAF O=C([C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1)N1CCCCC1 82085317 YPOBBKVAXVGHRA-KRWDZBQOSA-N 403.935 4.081 0 1 HIAF CCOC(=O)C(F)(F)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 84653047 QWYPEONWQUKGEE-UHFFFAOYSA-N 408.445 4.312 0 1 HIAF CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@@H]1CO 95877790 WWYFAIVXZSSBQR-OYDLWJJNSA-N 408.517 4.383 0 1 HIAF CC(=O)CC1=C(C)C=C2C[C@H](C)C(=O)[C@H](C)[C@H]2[C@@H]1/C=C(\C)[C@](C)(/C=C/C(=O)O)CO 238745794 CHUCWMVYHNBUQI-DGSHLQPNSA-N 414.542 4.285 0 1 HIAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(SC)cc2[nH]1 586980299 NXBOIFCNGYPXHK-UHFFFAOYSA-N 407.289 4.447 0 1 HIAF CCN1C(=O)C[C@@H](c2nc3cncc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl 587061512 MVRSTZGIGNVUFV-DIFFPNOSSA-N 419.710 4.451 0 1 HIAF O=c1cccc(-c2nc3ncc(Cl)cc3[nH]2)n1CCOc1ccccc1Cl 587063941 FKAJHSJDDSOHIV-UHFFFAOYSA-N 401.253 4.172 0 1 HIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(S)nc(S)nc2[nH]1 587121409 BJRCYZHJRDXLEF-UHFFFAOYSA-N 409.418 4.353 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 587337983 WJPTUJZJCDHXHL-UNMCSNQZSA-N 400.352 4.056 0 1 HIAF C[C@]1([C@H]2COc3ccccc3O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360054 UCRLGAHYIXJQFL-CQOQZXRMSA-N 406.409 4.489 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccncn1)c1ccccc1 587584902 BOZORYBIQPEKKF-RCZVLFRGSA-N 410.429 4.282 0 1 HIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(C)=O 587590767 DOJNCSLNMIUIIE-ZJSXRUAMSA-N 420.417 4.203 0 1 HIAF Cc1ccc2oc(N)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587743753 FJSNCUNFOLRURM-MLCYQJTMSA-N 417.278 4.209 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587754057 KKHIYWLGHQBQLQ-ORAYPTAESA-N 415.310 4.409 0 1 HIAF CC(C)c1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 587789782 BNFZPWPLAZEEIQ-YBTHPKLGSA-N 403.295 4.442 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1cccc(C)c1 587868186 WXEBWBBOJDJATA-CYBMUJFWSA-N 405.376 4.389 0 1 HIAF COc1ccc(-c2ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c(O)c2)cc1OC 587925563 BECSVQXCMQDJKL-UHFFFAOYSA-N 416.359 4.380 0 1 HIAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)CC2 587936099 AHFPEJNSBUWXKM-LBPRGKRZSA-N 410.417 4.138 0 1 HIAF O=C(CCc1c[nH]c2ccccc12)N1CCN(c2noc3cc(Cl)ccc23)CC1 653708520 VXSDBDXYYWNDCR-UHFFFAOYSA-N 408.889 4.244 0 1 HIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1 962955980 AUOIZPUMISFGHO-KSSFIOAISA-N 424.234 4.350 0 1 HIAF Cc1c(C(=O)Nc2c(C)n(C)n(C(C)C)c2=O)noc1[C@H]1CCC[C@H](C(C)(C)C)O1 1772582831 IHDWQGDZRHONMF-HZPDHXFCSA-N 418.538 4.281 0 1 HIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cc(F)ccc2F)cc1 1772585189 HNZZMMKIJHPUAD-NQCPXJENSA-N 414.448 4.351 0 1 HIAF O=C(N[C@H]1CC[C@H]([C@@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1)c1ccccc1 1857551501 GGPLEOHHSWNDKN-JYFRSGACSA-N 401.510 4.193 0 1 HIAF COc1ccc(OC)c(CCn2cnc3ccc(-c4ccccc4OC)cc3c2=O)c1 1857613881 LDZAVHOMQUQGBB-UHFFFAOYSA-N 416.477 4.332 0 1 HIAF C[C@@]1(Oc2ccc(-n3ccnc3)cc2)CCN(Cc2cccn2-c2nccs2)C1 61906056 ZLXDLCSJRRKPQX-JOCHJYFZSA-N 405.527 4.163 0 3 HIAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 771989 USZOQDIAEYNHIZ-SJBKTWHCSA-N 414.933 4.442 0 1 HIAF C[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCC2=CCCCC2)C1=O 4972151 RLJSTYCSOSKNRM-LJQANCHMSA-N 415.537 4.266 0 1 HIAF CCC(CC)(CC)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)c1cccc(Cl)c1 13447232 BKLLKPJWIZCXKY-QGZVFWFLSA-N 410.942 4.026 0 1 HIAF COc1c2c(c(OC)c3occc13)O[C@H](c1ccc3c(c1)OCO3)[C@@H](OC)[C@H]2OC 14859166 IRTVRUQCSNGIAC-LKUPVBHCSA-N 414.410 4.015 0 1 HIAF biogenic CN1CCC(Oc2cccc3ncnc(Nc4c(Cl)ccc5c4OCO5)c23)CC1 14949391 CNYPBGCIPQWFIF-UHFFFAOYSA-N 412.877 4.229 0 1 HIAF N[C@H](COc1cncc(-c2ccc3[nH]c(=O)sc3c2)c1)Cc1c[nH]c2ccccc12 14962401 GSOOCUKQXWSOSO-KRWDZBQOSA-N 416.506 4.082 0 1 HIAF O[C@H]1CCCCC[C@H]1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 22927571 RVUQSGISTJEQPF-UIOOFZCWSA-N 422.613 4.351 0 1 HIAF NS(=O)(=O)c1ccc(-c2cnc3cccc(Nc4ccc(Cl)cn4)c3c2)cc1 28957627 IRTCDXAMYIOROG-UHFFFAOYSA-N 410.886 4.341 0 1 HIAF COc1ccc([C@H]2c3c(cc4c(c3OC)OCO4)C[C@H]3CSC[C@H]23)cc1OC 40863682 ZYGXLQUQNIOASU-YZVOILCLSA-N 400.496 4.108 0 1 HIAF COc1ccc(NC(=O)CCNc2cc(C)nc(NCCc3ccc(F)cc3)n2)cc1 45229026 IKHRYXHVXHSQLL-UHFFFAOYSA-N 423.492 4.028 0 1 HIAF CC(C)n1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82205757 ZZUWOSFAYPEFBD-SFHVURJKSA-N 414.525 4.107 0 1 HIAF CCOC(=O)c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(C(F)(F)F)ccc2c1=O 95553345 NWRZAKLRQWTRPY-UHFFFAOYSA-N 405.328 4.119 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@]12C 100700339 WNENMRZSIGSSCW-UDZNEMPWSA-N 400.607 4.190 0 1 HIAF COC1=C[C@]23C=C[C@@H]1[C@@H](c1ccccc1)C2=C(C)C(=O)N3C(=O)NC1CCCCC1 102953945 IPVTXSSBFHSCEP-PIBDYAPNSA-N 404.510 4.440 0 1 HIAF CC(C)C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@@H](CC(C)C)C(=O)N1 103265324 AHVYJVHVVMUWGU-HKUYNNGSSA-N 417.937 4.396 0 1 HIAF CC(=O)c1ccc(-c2nccnc2O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)cn1 146112126 VUFOBVJGCFZGHZ-IYBDPMFKSA-N 417.494 4.373 0 1 HIAF O=C1c2ccccc2C(=O)N1CCCN1[C@H]2CC[C@H]1c1c([nH]c3ccc(F)cc13)C2 149568097 UWOJGRHXHUGQNA-BTYIYWSLSA-N 403.457 4.055 0 1 HIAF COc1cc([C@@H]2[C@@H](C)[C@@H]3[C@@H](C)Oc4c(c(=O)[nH]c5ccccc45)[C@@H]32)cc(OC)c1OC 169338485 XSQTWHNZXOUNIA-DKPMNZTPSA-N 421.493 4.468 0 1 HIAF CC(C)C1=C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@@H](C(=O)O)[C@@H]3C(=O)O 195404942 PXYRCOIAFZBLBN-NJGYFIPASA-N 418.530 4.298 0 1 HIAF Cc1ccccc1S(=O)(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 299871717 ZBTMLWNXQFQKOL-UHFFFAOYSA-N 404.535 4.071 0 1 HIAF CCOC(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586997124 AWSLUHLGUUKKSS-GQCTYLIASA-N 415.243 4.401 0 1 HIAF Cc1nccc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc12 587008757 WILMMOBLFUTLDU-UHFFFAOYSA-N 411.259 4.465 0 1 HIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)c21 587032971 OIQOLDNAIFPRNE-GFCCVEGCSA-N 412.540 4.169 0 1 HIAF Clc1ccc(-n2cc(-c3nc4c(Cl)c(Br)cnc4[nH]3)nn2)cc1 587075964 MXZCXAYMHJXRPQ-UHFFFAOYSA-N 410.062 4.275 0 1 HIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)C(F)(F)C1 587131718 BQSUEOYQMSZUTN-QMMMGPOBSA-N 420.229 4.434 0 1 HIAF CC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c1 587154147 KLYNETOLZGLECF-UHFFFAOYSA-N 409.442 4.372 0 1 HIAF COC(=O)c1cc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2cc1OC 587226806 TYKYZBXZRYXNNW-QGZVFWFLSA-N 403.479 4.114 0 1 HIAF Cc1cnc(Cl)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc12 587240790 WWDJUFLJZISEPM-RWCMSOCESA-N 420.941 4.475 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)c(F)cc32)[C@H]1c1ccc(F)cc1 587340889 ZKYWQHYKGVXSLW-UGKGYDQZSA-N 411.335 4.016 0 1 HIAF COC(=O)c1ccc(COc2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)o1 587456136 SALMYJYYMRIKKG-JPYJTQIMSA-N 420.417 4.143 0 1 HIAF Nc1ccc(O)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587512290 WNKSRYIJVDYDLU-AREMUKBSSA-N 411.457 4.307 0 1 HIAF COC[C@@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587723573 BKZYGXMYAWYWAF-YPMLDQLKSA-N 400.238 4.291 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cn3cccn3)c2)N1 587755478 AAGQFBWLJDWJJH-RNODOKPDSA-N 400.295 4.457 0 1 HIAF CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587775562 RUPGWYIHJFNGOM-ZINOCKGTSA-N 421.310 4.080 0 1 HIAF COCCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587789765 CPHCOSAPALFIMU-RBZFPXEDSA-N 408.311 4.411 0 1 HIAF COC(=O)[C@@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587808579 OODKYLNWWZKYMD-PTPDTQQLSA-N 418.306 4.101 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=S)N(C)C)cc2)N1 587845786 SKROFEJJCPYMNY-ZMZPIMSZSA-N 423.351 4.437 0 1 HIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(I)cc3[nH]2)cc1 587936341 KQYBQTKEABZLMF-HWPZZCPQSA-N 408.239 4.013 0 1 HIAF Fc1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]2)nc1 653720640 ZABCRIKQBLSAOC-IFMALSPDSA-N 417.488 4.447 0 1 HIAF COC1=C[C@@]2(CCC1)c1cc(C(C)=O)ccc1C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C 962638486 ZYIYBVFLINOHGO-CVDCTZTESA-N 415.486 4.045 0 1 HIAF C[C@]1(/C=C2\Nc3ccccc3NC2=O)c2cccc(F)c2CCN1[C@H]1CCSC1 962691692 ASRIFOBWFDZRBJ-GBWPOFJASA-N 409.530 4.353 0 1 HIAF CCOc1cccc2[nH]cc([C@@H]3N[C@@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)c12 962717980 XZURCOONKSTKKP-VQIMIIECSA-N 422.378 4.413 0 1 HIAF CCOC(=O)c1cccc([C@@]2(C3CCCC3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962905269 ZKGOBBFZFDLHRO-XUZZJYLKSA-N 411.473 4.035 0 1 HIAF CCc1ccc([C@]2(c3cnccc3C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963237375 XTZOLHIZYPSDFU-XNMGPUDCSA-N 423.516 4.391 0 1 HIAF COc1cccc(Cc2cc(C)nn([C@@H](C)C(=O)Nc3cccc(Cl)c3)c2=O)c1 1857542400 ZCRABDQHSAXRII-HNNXBMFYSA-N 411.889 4.004 0 1 HIAF FC(F)(F)c1cnc(N2CCC[C@H](NC(=S)Nc3cccnc3)C2)c(Cl)c1 1857613400 CKMJIRLPEIIMRE-ZDUSSCGKSA-N 415.872 4.104 0 1 HIAF CCOC(=O)[C@@H](C(=O)c1ccc(OC)cc1)[C@@H](NC(C)=O)c1ccc(C(C)C)cc1 1857613703 LUZRWMPOZXDGLK-YADHBBJMSA-N 411.498 4.058 0 1 HIAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1OC)O[C@@](C)(CC)C=C2Cl 1857616273 MWWWWJZXLKNAMH-RXVVDRJESA-N 420.893 4.027 0 1 HIAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)C[C@@H]3[C@H](C)CC[C@@H]4C5=C(C(=O)O[C@@H]5C[C@@H]4C)[C@]3(O)C[C@@H]12 2356334596 JZCCXPJAWWWRFI-KNRNLSTPSA-N 402.575 4.095 0 1 HIAF Cc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc23)o1 4111855 LTPVYTFQTXJWIL-GOTSBHOMSA-N 413.477 4.296 0 3 HIAF O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4076579 YJTJIBHGZGNJIX-TZIWHRDSSA-N 410.857 4.220 0 1 HIAF O=C(NCc1ccccn1)[C@]1(C(F)(F)F)C[C@H](CCc2ccccc2)CCCO1 13829050 UESDVBVAZNYALM-RXVVDRJESA-N 406.448 4.448 0 1 HIAF CCCC[C@@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccccc1Cl 26009242 GQUWFRJNNINRQS-RTWAWAEBSA-N 403.885 4.036 0 1 HIAF CCC[C@H](NC(=O)[C@H](CSC(=O)c1ccccc1)[C@@H](C)c1ccccc1)C(=O)O 26017778 SJKCRFUVZBJZMH-DBVUQKKJSA-N 413.539 4.349 0 1 HIAF C[C@](N)(CO)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3Cl)cc2)cc1 40917380 UCTGXTOZAGBVJX-DEOSSOPVSA-N 424.928 4.277 0 1 HIAF O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3)CC2)CC1 40952359 UTARSHGDECSMJT-UHFFFAOYSA-N 424.976 4.285 0 1 HIAF CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@H]4C(C)(C)O)O1 59587098 NDXZXKHTJXCZRB-JOCHJYFZSA-N 422.433 4.260 0 1 HIAF biogenic,in-vitro COc1ccc(CNCc2coc(-c3ccc(Br)cc3)n2)cc1OC 72185999 FSRPBWJSUQUOCE-UHFFFAOYSA-N 403.276 4.411 0 1 HIAF C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCC1CCCCC1 82083109 BTCWALKKWHAORB-INIZCTEOSA-N 405.498 4.310 0 1 HIAF Cc1ccc(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2ccccc2C)cc1 136430398 YAYIOBDZVZBMGH-UHFFFAOYSA-N 418.526 4.005 0 1 HIAF CC(C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccc(C#N)cc4C3)cc2)CC1 165745678 JKWKYPQYIQAWNR-UHFFFAOYSA-N 414.509 4.378 0 1 HIAF O=S(=O)(C1CCCCC1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1 168356459 ORRJZMFXFHUBAB-UHFFFAOYSA-N 422.554 4.394 0 1 HIAF CN1C[C@H](C(=O)OCCO)C[C@@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@@H]21 169313390 KIIBBCNQABCMRJ-AAIMPIBUSA-N 410.558 4.032 0 1 HIAF Cc1cc(F)c2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2c1 586946882 USNALNSJVGMCHO-UHFFFAOYSA-N 407.517 4.279 0 1 HIAF N[C@H](c1ccsc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587025953 JIMMHBBMAKGRCQ-QGZVFWFLSA-N 418.931 4.127 0 1 HIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587043668 SRJBSXYLXFFGGV-HNNXBMFYSA-N 422.432 4.263 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cnc(Cl)[nH]c-3n2)c1 587048146 GAVVNZATGCWACX-SREVYHEPSA-N 419.272 4.002 0 1 HIAF CN(C)C(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587184757 VOCWSDSJCWHNAV-TWGQIWQCSA-N 417.250 4.040 0 1 HIAF COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)o1 587357622 UUKZNYUTESHUCZ-REWPJTCUSA-N 410.397 4.494 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CC[C@@H](NC(=O)OCc3ccccc3)CC1)O2 587386079 HLAAYFGHAXKJJL-KGVIQGDOSA-N 408.498 4.396 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCc4c(Br)ccc(OC)c41)[C@@H](C2)C3=O 587417232 KDIJANCFQIKMNI-RBZFPXEDSA-N 401.256 4.055 0 1 HIAF COc1ccc(-n2ccnc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587579188 TUMGONAHVUFGGY-NFBKMPQASA-N 414.417 4.289 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCNC(=O)OCc2ccccc2)N1 587756205 QJCBQLSLVCHPOB-DYVFJYSZSA-N 421.310 4.480 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CCC(c3ccccc3)=C1CC(=O)O)N(C)[C@@H](C)C2 962636285 YTNMRZWQNQXRHB-LMKMVOKYSA-N 407.510 4.498 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ccc(N2CCCCC2=O)cc1 963050497 CEUMGJNWSOMMNO-RUZDIDTESA-N 401.510 4.170 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCOc2c(Br)cc(C)cc21 963609758 OHFWBQDUDZMSJN-ASSNKEHSSA-N 418.331 4.335 0 1 HIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccsc2)[C@@H]2C(=O)CC(C)(C)CC2=N1 13634470 YBNMBVQUARMXNJ-BEVDRBHNSA-N 401.528 4.288 0 1 HIAF COc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 13782341 HSTRXKWHQCMWPA-UHFFFAOYSA-N 408.329 4.039 0 1 HIAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1N 36189185 BCKQSIZBCMVWRU-YRJIKBPLSA-N 407.558 4.121 0 1 HIAF Cc1ccc(C(=O)NC2CC2)cc1Nc1nnc(C)c2c1cnn2-c1ccc(F)cc1 49046479 GRFHDHQWGQYHJM-UHFFFAOYSA-N 416.460 4.207 0 1 HIAF CCCN(CC1CC1)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 62233461 OEFGJUHHGUGSEW-UHFFFAOYSA-N 409.534 4.360 0 1 HIAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2ccccc2F)C1 82217081 DUZKEDFGOKBDIY-SJORKVTESA-N 414.525 4.382 0 1 HIAF COc1cc(N)ccc1-c1nc(=O)c2c(-c3c(F)cccc3Cl)nsc2[nH]1 84617921 OPNWVCDOFQMMLP-UHFFFAOYSA-N 402.838 4.097 0 1 HIAF CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCCC2)c1ccccc1 95590260 WXJDHNRXIVLCHB-UHFFFAOYSA-N 411.505 4.469 0 1 HIAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CCCCN3[C@H]2CO)cc1 95877068 XNACUZIZQDXWGE-PUYAWMFVSA-N 423.532 4.315 0 1 HIAF CN(C)C(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638962 CPWZFVHFDPDQQG-KDURUIRLSA-N 400.563 4.270 0 1 HIAF CC(=O)N1C[C@H]2C[C@H]1CN2Cc1cc2ccc(Oc3nc4cccnc4s3)cc2o1 101656239 QWVGJGRTJOMOTI-CVEARBPZSA-N 420.494 4.035 0 1 HIAF O=C(O)[C@H]1C[C@H](C2=CCN(c3ccccc3)C2=O)c2c(Cl)cc(Cl)cc2N1 139227795 WCVMSBDOPRGOSK-RHSMWYFYSA-N 403.265 4.319 0 1 HIAF Cc1nc([C@@H](NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)C(C)(C)C)no1 146488127 MFZAMONDUNPEBU-OAHLLOKOSA-N 412.412 4.109 0 1 HIAF Nc1ncnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1-c1ccc(F)cc1 219309453 RWXVYBBNECTGIL-HXUWFJFHSA-N 412.896 4.468 0 1 HIAF Cc1ccc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@H]3C)nc1 226007264 INKOCLWAFUZTRQ-LBPRGKRZSA-N 402.285 4.037 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Cl)c(C)c2[nH]1 586934922 CXDCFYNKABUKBK-MRXNPFEDSA-N 409.964 4.297 0 1 HIAF CS(=O)(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586961576 WDWUHWKMBFQZGY-MUUNZHRXSA-N 424.547 4.005 0 1 HIAF CN(C)c1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586988574 MSRWCOXNNRKVBY-UHFFFAOYSA-N 423.472 4.399 0 1 HIAF O=c1c(-c2nc3cnc(Cl)cc3[nH]2)cc(Br)cn1Cc1ccccc1 587006067 BMCDAKBUCXEYJQ-UHFFFAOYSA-N 415.678 4.251 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3ncsc3-c3ccccc3)nc-2[nH]1 587027355 CIUZEGISUMKWJS-UHFFFAOYSA-N 400.467 4.413 0 1 HIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587111408 BZVWIOULMUJYAH-MRXNPFEDSA-N 416.325 4.395 0 1 HIAF Fc1c(Br)ccc2nc(-c3cncc(I)c3)[nH]c12 587185299 RLJDFOLOAJJGAT-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF CC(=O)N[C@@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(C)cc1 587206247 LDIPBSJSFZOARN-ZDUSSCGKSA-N 408.246 4.332 0 1 HIAF C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](n2cncn2)C1 587343627 UMSNSZABMLAZDI-BIRVRANTSA-N 407.445 4.282 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(CNC(=O)OC(C)(C)C)nc1C)O2 587386795 KQAUCNVPDSUVIQ-QHCPKHFHSA-N 411.502 4.186 0 1 HIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4nc(C)c(C(C)=O)cc41)[C@@H](C2)C3=O 587436482 PWAGXRLJLVPOKU-AVRWGWEMSA-N 413.429 4.398 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1N(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O 587444463 QBFHQGGHJYEMBW-JTSKRJEESA-N 407.466 4.482 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)NC1C3CC4CC(C3)CC1C4)CC2=O 587469671 JODWIRFBWDAPHY-SXFZBBPNSA-N 411.542 4.400 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587474822 HOHXWUGANBMYDT-FDDCHVKYSA-N 419.518 4.441 0 1 HIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCC(=O)O 587499366 SKJQWXZVJTYAQP-SFHVURJKSA-N 416.857 4.397 0 1 HIAF C[C@@]1(c2cccc3sc(N)nc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620061 WQTYEOCGHHWDIP-VGSWGCGISA-N 404.447 4.461 0 1 HIAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)Cl)cc1 587649636 RNOSSSUSJVNVPA-UHFFFAOYSA-N 413.829 4.261 0 1 HIAF Cc1cc2c(o1)CC(C)(C)C[C@]21c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962665098 KPPREYXXUMQQSO-RPBOFIJWSA-N 404.510 4.451 0 1 HIAF CC(C)Cn1c([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)nc2cc(Cl)ccc21 962916059 WZCZRAGGEJEBPN-HKUYNNGSSA-N 401.869 4.173 0 1 HIAF Cc1cccc([C@]2(c3ccc(Cl)nc3)NCCc3ccc(C(=O)N(C)C)cc32)c1 962927507 VRSGDLKJGMZBJC-XMMPIXPASA-N 405.929 4.183 0 1 HIAF COc1ccc2c(c1)C[C@@H](Cc1cc[n+](Cc3ccccc3C)cc1C(C)=O)C2=O 1772627728 OAJIBEPXRANJSK-JOCHJYFZSA-N 400.498 4.140 0 1 HIAF O=C1CCC(=O)N1Nc1nc(-c2c[nH]c3ccccc23)nc2sc3c(c12)CCCC3 1857575007 QPRTYANFANULKE-UHFFFAOYSA-N 417.494 4.194 0 1 HIAF CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)c2ccccc2)C1 13442767 SUDDYSWTCNCSCF-UHFFFAOYSA-N 404.491 4.136 0 1 HIAF O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(C=Cc3c(Br)cccc32)CC1 13738163 GHVUCNXWUFIXCI-FGZHOGPDSA-N 410.355 4.338 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)OC3CCC(O)CC3)CN(C)[C@H]1C2 27517936 NIKORHQFCQVBNS-WVEVEIKQSA-N 410.558 4.029 0 1 HIAF CCCc1c(OCCCCCOc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28367597 GYEOLWWSCDDCON-UHFFFAOYSA-N 424.501 4.356 0 1 HIAF CC(C)NC[C@@H](O)COc1ccc(CC(=O)O[C@H]2C[C@@H](C(C)C)C[C@@H](C)[C@@H]2C)cc1 29401035 XDTTWGPDHGKGPK-JUZIDSRBSA-N 419.606 4.217 0 1 HIAF Cc1ccc(CNc2nc(-c3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)n2)cc1 43119882 SOVUYZOWFFJUCQ-UHFFFAOYSA-N 421.444 4.486 0 1 HIAF O=C(NCCc1ccc2c(c1)OCO2)c1cc(-c2ccc(C(F)(F)F)cc2)on1 72170825 DXEVLCJDVNBJPJ-UHFFFAOYSA-N 404.344 4.062 0 1 HIAF O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)CN1CCCCC1 73167844 MUVOURKTEHUOJQ-FQEVSTJZSA-N 403.469 4.006 0 1 HIAF COCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc(F)cc2)n1 82136254 NZDXHHAVCOVYGW-HNAYVOBHSA-N 400.498 4.040 0 1 HIAF C[C@H]1C(=O)[C@]2(CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)CC[C@@H]1C2(C)C 100043721 ZIKSQYXDYRQMMQ-YIGJPRQDSA-N 413.583 4.018 0 1 HIAF CC(C)(C)OCCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166233237 LMTXUWOJIZSKFL-UHFFFAOYSA-N 413.493 4.308 0 1 HIAF O=C(Nc1ccncc1Br)c1ccc2nc(N3CCCC3)sc2c1 169304007 SINHCIPWJDNTHV-UHFFFAOYSA-N 403.305 4.306 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CCC4)c3)C2)cc1 169709778 VWPRVGMJGLVPGK-GAJHUEQPSA-N 409.530 4.115 0 1 HIAF CCSc1cccc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)c1 220718942 HCCGPLVNNLOSEH-QHCPKHFHSA-N 410.539 4.193 0 1 HIAF CC(=O)OC[C@@]1(c2ccccc2)C[C@@H]1CN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C 261147933 OHPDVFPNOSPJJV-ZPYWGYSESA-N 419.565 4.437 0 1 HIAF CS(=O)(=O)c1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 586926364 OOPPLBBALLKJQR-UHFFFAOYSA-N 419.222 4.415 0 1 HIAF Sc1nc(S)c2nc(COc3ccc4ccccc4c3Br)[nH]c2n1 587000175 GVGYCQHKHBHECO-UHFFFAOYSA-N 419.329 4.425 0 1 HIAF CCc1ccc(-c2nc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cs2)cc1 587015981 MDQMAVKISFKAPM-UHFFFAOYSA-N 412.540 4.166 0 1 HIAF O=C(O)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1F 587081663 SVMBTLJTZDTILY-UHFFFAOYSA-N 407.792 4.430 0 1 HIAF CCOC(=O)c1cnn(-c2ccc(-c3nc4ncccc4[nH]3)cc2)c1C(F)(F)F 587115325 TWKCGFZZWDSQGO-UHFFFAOYSA-N 401.348 4.006 0 1 HIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587247920 XWKLSYYLSPKSTI-UHFFFAOYSA-N 400.438 4.309 0 1 HIAF CC(=O)Nc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587379154 ZULKTGNUNZQPLF-IBGZPJMESA-N 403.276 4.179 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(F)(F)C(=O)OCC)n1C)CC2=O 587462084 PCWYULBOEIBVNU-OAQYLSRUSA-N 421.440 4.219 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCC(=O)CC3)nc1Cl)CC2=O 587496364 WNKFHWVPRAYGMA-MRXNPFEDSA-N 420.918 4.330 0 1 HIAF CC(C)(C)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 587598917 YWXYHYKIJHKOSA-CPJSRVTESA-N 415.445 4.499 0 1 HIAF CCOC(=O)c1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599198 WIQPUUYYAHGGCU-YKSBVNFPSA-N 404.418 4.446 0 1 HIAF COc1cccc(NC(=O)c2c(-c3ccccc3)[nH]c3ccc(S(C)(=O)=O)cc23)c1 587650759 SWAVYCALILAVBF-UHFFFAOYSA-N 420.490 4.499 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(cc2Cl)OCCO3)N1 587702409 ZIGPPFCNHOQWKT-ANRSDYALSA-N 413.674 4.031 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)cnc2N)N1 587710520 DIPHPQXGLPTHDF-JKYUHCHBSA-N 404.205 4.208 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nccn2C)(c2ccccc2)N1 587758856 YKUKFEMCDVXQOS-SZNDQCEHSA-N 414.322 4.342 0 1 HIAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccn1 587763527 JWQBPSNCECMPNJ-YUNKPMOVSA-N 415.310 4.275 0 1 HIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587804079 AMMGUMICAFEVRR-PRWKNARSSA-N 424.310 4.412 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1OC(F)F 587868678 RIMHSCGZXZOUMU-UHFFFAOYSA-N 413.302 4.262 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nc(C)cc2C)o1 587872019 GVKAOBVLUXWUQY-UHFFFAOYSA-N 408.433 4.231 0 1 HIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2N1 587873822 JDUJPMIYHVYMGL-XLKFXECMSA-N 407.327 3.987 0 1 HIAF Brc1ccc2c3ccc(Br)cc3n(CCc3nn[nH]n3)c2c1 621431753 GICNUWGVVDSUOL-UHFFFAOYSA-N 421.096 4.075 0 1 HIAF Cc1ccc2c([C@@H]3N[C@@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)c(C)n(C)c2c1 962626644 DBJULZVQWJWSBL-YLJYHZDGSA-N 418.415 4.382 0 1 HIAF C[C@]1(/C=C2/Nc3ccccc3NC2=O)c2cccc(F)c2CCN1[C@H]1CCSC1 962691695 ASRIFOBWFDZRBJ-UFRJARRBSA-N 409.530 4.353 0 1 HIAF COc1ccc2[nH]c([C@@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)c(C)c2c1 962961705 GZGRHBPXTSYSFL-HNAYVOBHSA-N 406.816 4.105 0 1 HIAF Cc1ccc([C@@]2(CCC(=O)O)c3cccc(Br)c3CCN2C)cc1F 963282829 YHZGZAQYWWHUGV-FQEVSTJZSA-N 406.295 4.493 0 1 HIAF Cc1c(O)ccc2c1[C@](c1ccc(C(C)C)cc1)(c1cccnc1)N[C@H](C(=O)O)C2 963474979 YAMYEWOJYRZJKO-OFVILXPXSA-N 402.494 4.110 0 1 HIAF Cc1c(C)c2cc(Cl)c(OC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)cc2oc1=O 2092674 ANOYEEGTGZEDQS-OAHLLOKOSA-N 421.877 4.368 0 1 HIAF biogenic COC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@@H]1c2ccccc2C=C(C)N1C(=O)OC 8682201 RUBBAQAIHUWYNP-RTWAWAEBSA-N 411.454 4.145 0 1 HIAF O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCCC1 26402804 DPNNDWVBKHGQMD-OLJVYXQXSA-N 402.538 4.335 0 1 HIAF Fc1ccc([C@H]2CO[C@](Cn3ccnc3)(c3ccc(Br)cc3)O2)cc1 28767234 HULMHEDWRLRAJV-MOPGFXCFSA-N 403.251 4.426 0 1 HIAF CC(=O)N1N=C(c2cc3c(Br)cccc3oc2=O)C[C@@H]1c1ccccc1 64548513 ZFXRVTOTWYJRMF-GOSISDBHSA-N 411.255 4.253 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(-c2ccccc2)cc1 82154132 NXXMDCANGJETHO-SFHVURJKSA-N 416.525 4.176 0 1 HIAF OC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 95873230 IBZUTKZKACVZJU-FSSWDIPSSA-N 408.508 4.431 0 1 HIAF COC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C 144123855 VXDWBTJFARAIIT-UHFFFAOYSA-N 401.470 4.284 0 1 HIAF CCC(=O)[C@@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@@H]2CC[C@@H]1N2C 169340689 RDOXVARXZHCHTF-IUPKNAOTSA-N 417.718 4.490 0 1 HIAF Cn1cnc2ccc(-c3cccc(NC[C@@H](O)CN4CCc5ccccc5C4)c3)cc21 218390697 MJDIURPBHVJDBM-XMMPIXPASA-N 412.537 4.071 0 1 HIAF C[C@@H]1N[C@@H]2CCCCCC(=O)O[C@@H]3CC[C@H](CCCCCC(=O)O[C@H]1CC2)N[C@@H]3C 238777121 XOGWGGHUKKQJPR-RXGLGVBBSA-N 422.610 4.006 0 1 HIAF CCN(CC)C(=O)Oc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1 299855639 BCPMGKFDBYFFIG-UHFFFAOYSA-N 413.426 4.023 0 1 HIAF COc1ccc(C[C@]2(CCC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)CCC(=O)N2)cc1 299872921 IMCMZJRXGLXBQE-BTZRARBUSA-N 412.574 4.094 0 1 HIAF COc1cc(Nc2c([C@H]3C=Nc4ccccc43)nc3cnccn23)cc(OC)c1OC 473136198 ZCKSZXJJLAKVMU-INIZCTEOSA-N 415.453 4.347 0 1 HIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 586950819 MXQPSFXRXYXWGH-UHFFFAOYSA-N 421.526 4.211 0 1 HIAF Nc1cc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH]c2cc1N 586984828 VBEVXWABNXSIQS-UHFFFAOYSA-N 422.286 4.409 0 1 HIAF CCOC(=O)c1csc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586994563 WLYBFHCZIKSUFP-UHFFFAOYSA-N 402.431 4.452 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Cl)c(F)c(F)c4[nH]3)cc12 587037716 MPDUXQUHQDMKHI-SSDOTTSWSA-N 409.849 4.242 0 1 HIAF Clc1ccc(-c2nnc(CCc3nc4c(Br)ccnc4[nH]3)o2)cc1 587077466 YPGJVALSONACQR-UHFFFAOYSA-N 404.655 4.209 0 1 HIAF CCOc1ccccc1[C@](N)(c1nc2cccc(Br)c2[nH]1)C(F)(F)F 587093366 TWJQMYOJYNSXNF-INIZCTEOSA-N 414.225 4.489 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 587230894 JQTDGIGEWBQKMG-CHWSQXEVSA-N 401.454 4.211 0 1 HIAF C[C@@]1(CC(=O)NCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339647 SGBIHERPYKBFCO-ZCYQVOJMSA-N 419.452 4.355 0 1 HIAF COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21CC(=O)c2cc(C)cc(N)c2O1 587406904 FLTQCMMSYPMYCJ-QHCPKHFHSA-N 405.406 4.012 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-n2c1nc1ccccc1c2=O 587480216 CUYRTFCGKJQDLA-AREMUKBSSA-N 424.456 4.266 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1cc(O)c(Cl)cc12 587552544 SFZASHRMSWPAHR-KNQAVFIVSA-N 410.809 4.391 0 1 HIAF O=C(O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587576888 LCUQIFXSOJUFAN-XUZZJYLKSA-N 415.401 4.134 0 1 HIAF Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602970 KGOMCMVIILTMMH-XUZZJYLKSA-N 404.418 4.423 0 1 HIAF CCOc1ccc(-c2nn(C3CCN(C)CC3)c(=O)c3ccccc23)cc1OCC 587668734 GCQGUHNWPPZXHS-UHFFFAOYSA-N 407.514 4.128 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3[nH]cnc(Cl)c2-3)N1 587702518 DNBXMZPJYPQORQ-QPFGOUBPSA-N 409.690 4.262 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2cccc(N)c2)N1 587748852 YXZZAQSDJKMIPX-ZSEKCTLFSA-N 412.306 4.392 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587774171 NFPWCFMKVWKHDC-BNLOLNQZSA-N 413.331 4.421 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc(O)cc2)N1 587792983 JBLPGSXJHGRPGM-OVWNDWIMSA-N 402.267 4.308 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(C[C@@H](C)c3cccc(OC)c3)nc2c1 587929448 AXRLGYXCADIXNG-LLVKDONJSA-N 403.276 4.467 0 1 HIAF CO[C@@H](C)COC1CCC(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 587952242 NIVTXVTYTHIDPD-WHXUTIOJSA-N 402.720 4.452 0 1 HIAF Cc1ccc(C)c([C@]2(c3ccccc3C(=O)O)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962894079 HLKVHIOSRCBWOQ-DHLKQENFSA-N 419.452 4.032 0 1 HIAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(Nc3ccccc3)c2cn1)c1ccccc1 1772577047 MCXXIUJXMXFUKQ-LJQANCHMSA-N 402.458 4.211 0 1 HIAF CCN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]2[C@@H]1CCC[C@@H]2N1CCCC1 1857567148 IPKVFDXSTVEXOJ-ONTIZHBOSA-N 424.416 4.086 0 1 HIAF CNCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2 1857579873 RECCWMDUENKSIQ-UHFFFAOYSA-N 414.600 4.339 0 1 HIAF COc1cc(C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)ccc1-n1cnc(C)c1 1911575151 ADZFHVHIVAENEZ-IBGZPJMESA-N 407.489 4.423 0 1 HIAF O=C1[C@H]2C[C@@H](CN2Cc2ccccc2Cl)Oc2ccccc2N1Cc1ccccn1 2356301776 DTWHQCDUGSHNHS-SIKLNZKXSA-N 419.912 4.304 0 1 HIAF CC(=O)O[C@@H]1C[C@@]2(C)C=CC[C@@]3(CCCC(C)(C)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 2356779569 APVQQWUDOVEKPZ-ROKMFXFQSA-N 402.531 4.095 0 1 HIAF O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccc(Br)cc12 5841295 VINBWTWPUKJDOA-UHFFFAOYSA-N 401.304 4.198 0 1 HIAF CC(=O)Oc1ccc2c(c1)Oc1cc(C(C)=O)ccc1[C@]21OC(=O)c2ccccc21 5884517 PONNIYGIVODRMG-DEOSSOPVSA-N 400.386 4.383 0 1 HIAF COc1cc2c(CC(N)=O)c(Br)n(Cc3ccccc3)c2cc1Cl 13446049 MQOBUYHKNMPMEF-UHFFFAOYSA-N 407.695 4.142 0 1 HIAF CC(=O)Oc1ccccc1C(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 27846544 OZLYQOAQBYGXBC-UHFFFAOYSA-N 401.503 4.263 0 1 HIAF Cn1cnc(NCc2ccc3[nH]ncc3c2)c1-c1nnc(Nc2ccc(Cl)cc2)o1 28571739 MONRXVZDTSSEAJ-UHFFFAOYSA-N 420.864 4.356 0 1 HIAF COc1ccc2c(=O)c(Cn3ccnc3)c(-c3ccc(Br)cc3)oc2c1 36088215 DWMSDWDWUCFTQZ-UHFFFAOYSA-N 411.255 4.476 0 1 HIAF in-vivo CC(C)[C@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@H](C)C1)NC(=O)Cc1ccc(O)cc1 40499126 MGGUOWHPOJLMQU-YZXAJQSBSA-N 424.585 4.081 0 1 HIAF O=C(NC1(c2ccccc2)CC(O)C1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1 45260997 QUFYXGTYVGQRNB-IYZJKTGWSA-N 402.494 4.392 0 1 HIAF Cc1cnc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(F)c1 68246441 WTYWHWHXCGJIGA-UHFFFAOYSA-N 407.401 4.485 0 1 HIAF COc1ccc(-c2cc(-c3ccc([C@@H]4NC(=O)c5ccccc5N4)cc3)nc(N)n2)cc1 96909913 GVGLGVRAHSBMFI-QHCPKHFHSA-N 423.476 4.256 0 1 HIAF CCOc1cccc2[nH]c(C(=O)NCCCCCC(=O)Nc3ccccc3N)cc12 117585447 KBAKEDPOROWSOB-UHFFFAOYSA-N 408.502 4.078 0 1 HIAF CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccc(F)c(Cl)c4)ccc1c23 169308114 SXKUBJSGXSLHDC-UHFFFAOYSA-N 418.877 4.091 0 1 HIAF Cc1ccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)cc1 169689256 KBSIGJQSDAXLEH-SFTDATJTSA-N 414.417 4.194 0 1 HIAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccc(F)cc1 210597097 VYIMDXFKDRCESX-UHFFFAOYSA-N 423.532 4.349 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Cl)c(C)c2[nH]1 586934921 CXDCFYNKABUKBK-INIZCTEOSA-N 409.964 4.297 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(Br)c4[nH]3)cc12 587038414 SQCGEJKZMSPHKB-VIFPVBQESA-N 418.320 4.073 0 1 HIAF Nc1nccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 587161374 QSUYSYYJXTVGMH-UHFFFAOYSA-N 400.211 4.296 0 1 HIAF C[C@H](Oc1ccc(F)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 587168998 PQAVNMQIARRFGL-ZETCQYMHSA-N 417.609 4.495 0 1 HIAF COc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cn1 587179337 VAGYPSVOAUJQMB-UHFFFAOYSA-N 419.144 4.257 0 1 HIAF CCOC(=O)C[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359802 ZUJJTJZXANSCEL-GGAORHGYSA-N 410.397 4.332 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(Br)nc1Br)O2 587414223 ROCLRFCMGXGGEQ-VIFPVBQESA-N 418.110 4.265 0 1 HIAF C[C@@]1(CC(=O)NC2CCCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576688 HPZXFAOMVMCAQI-URXFXBBRSA-N 409.482 4.342 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCC1OCCO1)C1CC1 587615294 GMZLPUOYASZVFM-QPPBQGQZSA-N 410.466 4.436 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2cccc(N)c2)N1 587746646 NGOQGIPAKZPQQG-ASSNKEHSSA-N 412.306 4.392 0 1 HIAF Cc1ccc([C@]2(/C=C/C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587826941 JWAHSJWALVDTEB-KTNZYGIESA-N 404.279 4.315 0 1 HIAF O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)Nc1ccc(C(=O)O)cc1O 653869211 BGUNRCMSTHRLLV-UHFFFAOYSA-N 413.333 4.243 0 1 HIAF CCOC(=O)CC[C@@]1(C(C)C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963179351 KGEUVYAHFOKUJY-UGSOOPFHSA-N 421.843 4.152 0 1 HIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2cc(Br)c[nH]2)N1 963188923 UOMCGVNSICGFGC-CHWSQXEVSA-N 423.616 4.138 0 1 HIAF Cc1nc2ccc(-c3ccc(CN4CCC[C@H]4CO)cc3)cc2n1C[C@@H]1CCCO1 1772619703 WQSNRUPTXRLHMZ-GOTSBHOMSA-N 405.542 4.147 0 1 HIAF O=C1[C@H](c2ccccc2)CCN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857766902 NVTOSHDAHDXEDR-UXHICEINSA-N 420.459 4.450 0 1 HIAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O 200050859 GBONJOXLMBXQOV-LJQANCHMSA-N 404.432 4.325 0 3 HIAF CN(C(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O)c1ccccc1 2463733 XDGQJBWBCZUCBT-UHFFFAOYSA-N 400.478 4.269 0 1 HIAF O=C(O)[C@@H](Cc1cc(O)c(O)c(Br)c1Br)c1ccccc1 13450215 XUABTOLUYWZDOY-JTQLQIEISA-N 416.065 4.034 0 1 HIAF biogenic Cc1noc(-c2ncn3c2CN(Cc2ccccc2)C(=O)c2cc(Cl)ccc2-3)n1 13828204 MFIUFJALHJUZHU-UHFFFAOYSA-N 405.845 4.040 0 1 HIAF O=C(Nc1ccc2c(C(=O)c3ccccc3)c(O)n(O)c2c1)c1cnc2ccccc2n1 18044812 DGGWPOLBNNKTSF-UHFFFAOYSA-N 424.416 4.011 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](F)C[C@@]4(C)[C@@H]3CC[C@]12C 26384807 JPOAJVXSZNVFCE-RHUCWHCGSA-N 406.586 4.282 0 1 HIAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)cc1 45227878 VJHSVZTVCILNNH-KBMIEXCESA-N 419.521 4.306 0 1 HIAF Cc1cc(OCCCNC[C@H]2CCCCN2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 49052736 XGFAYQDGAQCKAI-GOSISDBHSA-N 410.537 4.486 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 70459627 OLNQHQDGYZJVST-NRFANRHFSA-N 411.914 4.343 0 1 HIAF O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)NC1CCCC1 96923219 GHAQWLIZGNMJCR-UHFFFAOYSA-N 418.522 4.018 0 1 HIAF CCC(C)(C)C(=O)C(=O)N1[C@H](C(=O)SCCCc2ccccc2)[C@@H]2CC[C@@H]1C2 100894614 OBUILUCOHWRGAN-QRVBRYPASA-N 401.572 4.264 0 1 HIAF CS(=O)(=O)N1[C@@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101483057 PKOKBTIPQRIEOB-RTBURBONSA-N 407.482 4.026 0 1 HIAF CC(=O)N1C[C@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 101656224 IVPRIRIFLMWNSH-CVEARBPZSA-N 420.494 4.035 0 1 HIAF COCCOc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1 113654406 YNOSHXGRYKDBMO-UHFFFAOYSA-N 414.509 4.426 0 1 HIAF CC(C)(C)OC(=O)NCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144802334 IQSXQDLVHLTBFO-FQEVSTJZSA-N 409.404 4.369 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@H]2CO[C@](C)(C(=O)O)OC2)cc1 169017073 XHQASLNJMZUQBB-DQMBHMMVSA-N 423.465 4.203 0 1 HIAF CC(C)Cc1ccc([C@@H](C)C(=O)O[C@@]23[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@@H]2[C@H]7[C@@]2(OCCCN32)[C@@H]46)cc1 169299188 RQXVHLUYOBCSQY-YCODTGGDSA-N 419.565 4.048 0 1 HIAF Cc1cccc(N2CCN([C@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)c1 170112530 ZQGONMVBCAYDDT-VWLOTQADSA-N 412.653 4.153 0 1 HIAF Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)[C@H](C)c1ccccc1Cl 198928661 TZNABLTWXNAXSI-GFCCVEGCSA-N 421.931 4.287 0 1 HIAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4ncc(C(=O)NC5CC5)s4)c3c2)o1 204778430 LDOFQWMCMLOLPB-UHFFFAOYSA-N 408.487 4.054 0 1 HIAF CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)Cc1ccc(OC)cc1 473137196 WMJUHVXPQPZNMA-UHFFFAOYSA-N 420.601 4.206 0 1 HIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)cc1 586931113 LUPTYXOTTQSCOW-UHFFFAOYSA-N 421.478 4.092 0 1 HIAF COCCN1C(=O)CC[C@H](c2nc3cc(Cl)ncc3[nH]2)[C@H]1c1ccccc1Cl 587061085 JIAJJZVZIBCEDQ-ORAYPTAESA-N 419.312 4.358 0 1 HIAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cc1 587067821 QTRZDMUPYUYNLV-UHFFFAOYSA-N 402.845 4.018 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccnc(OC)c4[nH]3)cc2)cc1F 587147245 IDJVTGPMUIHENE-UHFFFAOYSA-N 404.445 4.113 0 1 HIAF Fc1ccc(Br)c(-c2nnc(CCc3nc4ccnc(Cl)c4[nH]3)o2)c1 587158233 UTZCTWGIOWLZCX-UHFFFAOYSA-N 422.645 4.348 0 1 HIAF CC[C@]1(c2cc(C(=O)OC)n(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339905 GUMTUFTUCNOXGD-XUZZJYLKSA-N 423.440 4.321 0 1 HIAF CCOc1c(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587378968 XXDHVVGRLGGSFC-MRXNPFEDSA-N 406.276 4.454 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(I)cc1O)CC2=O 587473285 ZNPHFZDNKVROJS-KRWDZBQOSA-N 424.234 4.361 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 587474819 KDAPHCCXJOUQKE-ANCIUUTRSA-N 401.503 4.326 0 1 HIAF CC(C)(C)OC(=O)N1[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC1(C)C 587519160 VNVXAFLVOGOJMB-MJGOQNOKSA-N 401.503 4.271 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)C[C@H]2F 587567035 BLPSTJLIWWIZCS-SLSDLSHTSA-N 419.452 4.337 0 1 HIAF C[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584586 YVNYIAXBLKXJBL-VEDVITAVSA-N 401.462 4.245 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615274 XAPAQXBPXYLLOX-AUSIDOKSSA-N 419.458 4.313 0 1 HIAF CCn1ncc(Br)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587676874 GLPAANAQEFSSSD-RTHLEPHNSA-N 417.120 4.191 0 1 HIAF Cc1[nH]nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Br 587680865 QSWUAHZHCBCTJN-CAAJLBCPSA-N 403.093 4.006 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(N)c(F)c2F)N1 587720740 OADIJPWAZDBOCQ-GJEGPGMTSA-N 403.217 4.385 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587721411 PZLNGCXGNABLKA-GLEZIHRCSA-N 406.221 4.447 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCCN(C)C)c2)N1 587738943 DOAOUGNUQWYUFK-SZNDQCEHSA-N 421.354 4.326 0 1 HIAF CC[C@]1(c2ccc(OCC(=O)O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587790291 FMEYKLMDDSDENI-FKIZINRSSA-N 422.294 4.239 0 1 HIAF Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793645 RVOJFWIZWXMMLJ-HOGDKLEQSA-N 407.283 4.037 0 1 HIAF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)OC 587802496 SLRLIMBFDUYNDG-NSPYISDASA-N 422.294 4.397 0 1 HIAF COc1cccc(C2(c3nc4cc(I)cnc4[nH]3)CCCC2)c1 587932550 GCMDTJOEENHJPB-UHFFFAOYSA-N 419.266 4.431 0 1 HIAF Fc1ccc(OCc2cc(OCC(F)(F)F)nc(-c3ccccn3)n2)c(F)c1F 653784777 AUAOGLNQKWNYCN-UHFFFAOYSA-N 415.293 4.476 0 1 HIAF CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3nccs3)cc2NC(=N)C1 1772608241 ZDBVNXTZOYDRQN-UHFFFAOYSA-N 411.531 4.220 0 1 HIAF CCN[C@@]1(CO)CCc2ccc(-c3nnc(-c4ccc(OC(C)C)c(C)c4)o3)cc2C1 1772653345 HSCSGOCEUZIOIR-VWLOTQADSA-N 421.541 4.329 0 1 HIAF CCN(CC)c1nc(CCCCN2CCOCC2)nc2sc3c(c12)CCCC3 1857545006 JWFKYWLJEICTDC-UHFFFAOYSA-N 402.608 4.071 0 1 HIAF CN(C)C1=N[C@H](c2ccc3cc(OCc4ccccc4Cl)ccc3c2)NC(=N)N1 1857653785 PSUDTGDAZWEGFZ-HXUWFJFHSA-N 407.905 4.116 0 1 HIAF C[C@H]([C@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 3955312 NPSKYYXPZPRNAM-QRQCRPRQSA-N 418.472 4.019 0 1 HIAF O=S(=O)(c1ccc(Cl)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1 28113847 WGCMIWIMQFOYOI-UHFFFAOYSA-N 417.880 4.396 0 1 HIAF Cc1ccc(-c2nc(CCC(=O)c3ccc(C[C@H]4SC(=O)NC4=O)cc3)c(C)o2)o1 29485588 FNCRYEQPPGREFH-LJQANCHMSA-N 424.478 4.261 0 1 HIAF COc1ccc(OC)c(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1 71317304 HZORWPBVRGDLJO-UHFFFAOYSA-N 416.437 4.047 0 1 HIAF CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCC1=CCCCC1 82082101 HZFLMUFZAHNGOC-SFHVURJKSA-N 401.532 4.164 0 1 HIAF O=C(NC1CCCCC1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc(F)cc2)cs1 82192183 FFFSBWFRMFVHJR-SFHVURJKSA-N 413.522 4.144 0 1 HIAF COc1cc(OC)c(-c2ccnn2C)c(O)c1C(=O)c1ccc(Cl)cc1Cl 95593306 PMJVMDWXJZHVNU-UHFFFAOYSA-N 407.253 4.348 0 1 HIAF CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2cccc(OC)c2)CC1 96318657 JFTAXZGFKWLKGO-UHFFFAOYSA-N 419.525 4.478 0 1 HIAF CN1CCN(C(=O)c2ccc3c(c2)[C@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)CC1 100893031 HKKBEBHRHIGDGJ-SZLSCVSRSA-N 401.554 4.371 0 1 HIAF C[C@@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 103254458 NICLXZKJEORIJZ-PJIJBLCYSA-N 415.440 4.365 0 1 HIAF CC(=O)N[C@H]1CC[C@H](NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)CC1 114715589 JUUQZUVNZARKLE-IYBDPMFKSA-N 402.564 4.089 0 1 HIAF O=C1CCc2ccc(NC(=O)N[C@H]3CCOc4cc(OC(F)(F)F)ccc43)cc2N1 144251008 FXXBNNDOZOVWCQ-HNNXBMFYSA-N 421.375 4.115 0 1 HIAF N[C@H]1CCCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3c(Cl)c[nH]c23)n1 169342732 DNNZXXBLUGPLSI-JKSUJKDBSA-N 422.920 4.483 0 1 HIAF COc1c(OCCCCN2CCCC2)cc(O)c2c(=O)cc(-c3ccccc3)oc12 199306428 UTBSFLRYDHWNGC-UHFFFAOYSA-N 409.482 4.429 0 1 HIAF COc1cc2c(c(OC)c1O)[C@@H]1O[C@H](c3cc4c(c(OC)c3-2)OCO4)[C@@H](C)[C@@H]1C 238770240 QITMVOBKZVSKFM-SOPCJQGPSA-N 400.427 4.212 0 1 HIAF COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cccs1 299876849 GIWCDOJDPKANIO-UNLJJZSOSA-N 403.500 4.153 0 1 HIAF Cc1cc(-c2ccc(O[C@@H](C)C(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 473111551 ABECVUABIRGFJZ-KRWDZBQOSA-N 411.465 4.315 0 1 HIAF COC(=O)c1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c1OC 587064379 AQEVHLINUHRTEI-UHFFFAOYSA-N 410.861 4.481 0 1 HIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)C(F)(F)C1 587132202 MRWGTHHPVGCJAH-VIFPVBQESA-N 420.229 4.434 0 1 HIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)C(F)(F)C1 587132803 VIQNRZMTCQDWOF-QMMMGPOBSA-N 420.229 4.434 0 1 HIAF Cc1cnc2[nH]c([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc2c1 587141777 WSFCEVXHKMLROM-MRXNPFEDSA-N 410.902 4.125 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)C[C@@H]1CCCO1 587197439 OWPPGHIBDIFRGE-JTQLQIEISA-N 401.294 4.181 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCc4cc(Br)c(OC)cc41)[C@@H](C2)C3=O 587417178 JRHRUNIQJNMTJH-XOBRGWDASA-N 401.256 4.055 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccsc1C(=O)OC)CC2=O 587493897 IOFRTGHUKFUEFF-LAJNKCICSA-N 404.484 4.384 0 1 HIAF O=C1c2cc(O)ccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(O)ccc21 587533987 UAFBACIVJDBBLS-AREMUKBSSA-N 412.441 4.430 0 1 HIAF Cc1nc(Cl)c(C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587554995 ZBCIFGRDGOBACT-HZPDHXFCSA-N 417.248 4.370 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCN(C)C)N1 587742756 TWWRVQYJALDBSG-RBZFPXEDSA-N 407.327 4.152 0 1 HIAF CC(=O)N1CCc2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587766014 LZNHSRUUBGLQQS-QKVFXAPYSA-N 417.322 4.295 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccc4c3n(c2=O)CC4)N1 587790840 JCRXFVNQERQKNF-NSPYISDASA-N 413.290 4.083 0 1 HIAF CC(C)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 587799128 WLLWJRUMVPUWIU-BIBXISHDSA-N 403.295 4.442 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(OC(=O)c3ccccc3)C2)N1 587811129 MWEPSQUGECZMHX-GANPYFDVSA-N 404.279 4.337 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc4c(cc32)OCCO4)N1 587834218 KDPPZKLFNNRTIN-YBTHPKLGSA-N 404.279 4.083 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC[C@H]3CO3)cc2)N1 587834396 RDSMMJMFUAAQBC-QROBEVECSA-N 406.295 4.164 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Br)n2)N1 587853087 OUXLFDSSHZPISL-INWYIAFRSA-N 406.118 4.431 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccc2c(c1)OCO2 587862817 XHETUPYDKOQXRF-UHFFFAOYSA-N 404.344 4.189 0 1 HIAF COC(=O)c1ccc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c2c1OC 587933906 ZJFNOGFKLNEEMF-UHFFFAOYSA-N 404.422 4.406 0 1 HIAF Nc1sccc1[C@@]1(c2ccccc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962775215 ZKNKMYFNUHMBAI-XLIONFOSSA-N 402.441 4.268 0 1 HIAF COc1c([C@H]2c3ccsc3CCN2Cc2cccnc2)ccnc1Br 963014413 SPJQAWNPEXCJCD-QGZVFWFLSA-N 416.344 4.457 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cccn1-c1nccc(-c2ccco2)n1 963061654 UOKFLULHELMCPJ-XMMPIXPASA-N 423.476 4.319 0 1 HIAF C[C@H](NC(=O)C1CC1)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@@H](O)C2)cc1 1772622172 NYICIAFORQNKRB-GKVSMKOHSA-N 420.553 4.112 0 1 HIAF O=C(Nc1cc(Br)ccc1-c1nn[nH]n1)c1ccc(Cl)cc1Cl 1857630443 XJCXDJMNZIOJDP-UHFFFAOYSA-N 413.062 4.188 0 1 HIAF CCN(CC)C(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O 1857767047 FIJUTOQYZQTJSG-IBGZPJMESA-N 415.896 4.286 0 1 HIAF CCCCn1cc(C(=O)O)c(NC(=O)CCc2ccc3c(Cl)c(O)ccc3c2)n1 1911582578 SAWHQAVXZWQVLS-UHFFFAOYSA-N 415.877 4.465 0 1 HIAF CC[C@H](c1nnnn1-c1c(C)cccc1C)N1CCCN(Cc2ccc(F)cc2)CC1 95566857 DMXYYKOCGDWTRN-JOCHJYFZSA-N 422.552 4.077 0 3 HIAF O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773597 KFAQWQUVISNLRZ-IBGZPJMESA-N 406.413 4.074 0 1 HIAF Cc1ccnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)c1 4793810 WLZGARCMSDGRQK-BJKOFHAPSA-N 424.504 4.431 0 1 HIAF CC(=O)N(Cc1ccccc1OCc1ccccc1)c1ccc2[nH]c(CN)nc2c1 13445565 LXKHGPWFAOBLLA-UHFFFAOYSA-N 400.482 4.154 0 1 HIAF COc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1 14978328 BNJNRMPSBIKAMA-UHFFFAOYSA-N 406.507 4.365 0 1 HIAF C=CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)C1=O 16042825 IYAOGRVLVMBETK-RCZVLFRGSA-N 413.521 4.162 0 1 HIAF biogenic CC(C)O[C@H](Cc1ccc(OCc2noc(-c3cc(F)cc(F)c3)n2)cc1)C(=O)O 26475593 HLFFVADRJBLYLA-GOSISDBHSA-N 418.396 4.015 0 1 HIAF CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@]1(CCCCN)c1ccccc1 36184653 QJBOHADGMLFYLD-JOCHJYFZSA-N 400.473 4.129 0 1 HIAF CC[C@H](C)C(=O)O[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 36387028 PCZOHLXUXFIOCF-SXJBNWDKSA-N 404.547 4.196 0 1 HIAF Cc1nnc(C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 40567227 COFPFOGNGPMBQW-UZLDWMDBSA-N 421.589 4.111 0 1 HIAF O=C(Nc1cccc(OCCCN2CCOCC2)c1)Nc1cccc(C(F)(F)F)c1 43120979 AXUWIQCNRVQDRS-UHFFFAOYSA-N 423.435 4.451 0 1 HIAF Cc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3C)cc2)c1 100106414 DSLBKNQVMSADKO-LNWKWYTESA-N 418.562 4.099 0 1 HIAF CC1(C)CCN(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3cccc(F)c3)c21 101668403 XTLVGBFNINDOSV-YEIZQEJRSA-N 423.532 4.075 0 1 HIAF O=C1Nc2ccccc2-c2nc3ccccc3c(=O)n2[C@H]1Cc1c[nH]c2ccccc12 104953207 TTYFXJZDLYVOTG-QFIPXVFZSA-N 406.445 4.281 0 1 HIAF CC[C@@H](C)Oc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 146745596 DRXNXOKZAZEGFK-CYBMUJFWSA-N 401.850 4.375 0 1 HIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(-c2noc(C)n2)c1 167364804 LQQRWVVSBRNSJK-RDTXWAMCSA-N 407.470 4.172 0 1 HIAF Cn1cc(-c2cncc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)no4)cc3)n2)cn1 473088519 OSDSLNBKGDENNX-UHFFFAOYSA-N 417.473 4.474 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4nc(CSC(C)(C)C(=O)O)[nH]c4c3)o2)cc1 586960591 XPZUDEBCLTWVKU-UHFFFAOYSA-N 424.482 4.385 0 1 HIAF COc1ccc([C@]2(c3ccc(N)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587392154 XLXOKGILQFWQLG-XMMPIXPASA-N 404.466 4.086 0 1 HIAF COc1ccc2c(c1)O[C@H](c1ccccc1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O 587411003 IEMRWYGCMSKKML-RPBOFIJWSA-N 415.445 4.306 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(I)cc1O)CC2=O 587473286 ZNPHFZDNKVROJS-QGZVFWFLSA-N 424.234 4.361 0 1 HIAF C[C@@]1(c2ccc(OCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598366 UECPPHUYZMACOR-QPPBQGQZSA-N 420.417 4.123 0 1 HIAF COC(=O)C[C@]1(Cc2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587726875 LXAVQNGBVKWAPX-YUNKPMOVSA-N 424.285 4.263 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2nccn2C)N1 587729056 GMRRQTNPHNIXNG-ODXCJYRJSA-N 418.285 4.287 0 1 HIAF COc1ccc([C@]2(CCN(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587741550 ODAGRNKCURZKBT-SZNDQCEHSA-N 421.354 4.326 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587744205 QZRJLPYLIWJFHZ-YBTHPKLGSA-N 403.295 4.271 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CN3CCOCC3)c2)N1 587775760 UUJSLNGDBXGLNQ-LHSJRXKWSA-N 419.338 4.044 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(C(=O)O)ccc23)N1 587804642 RVUQCRIIXKLFLR-LZVRBXCZSA-N 403.251 4.391 0 1 HIAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587809474 TYMABDLVSPFZHB-QGHHPUGFSA-N 410.283 4.238 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc3c(c2)CCCC3)N1 587829218 RBPFDGMYUVONAF-XUSGNXJCSA-N 418.306 4.329 0 1 HIAF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cnc(Cc2ccc(F)cc2)nc1 587944946 BJLSITDBPSHROE-UHFFFAOYSA-N 421.497 4.376 0 1 HIAF O=C(O)Cc1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cc1 587962133 SCKBSMZIKPPYAY-UHFFFAOYSA-N 424.092 4.306 0 1 HIAF CCOc1c([C@H]2c3cc(OC)ccc3CCN2CCCOC)c(C)nn1CC(C)C 961321425 JOHYZRNWSYERAU-HSZRJFAPSA-N 415.578 4.239 0 1 HIAF CCNC(=O)[C@]1(c2c(C)[nH]c3ccccc23)c2cc(OC)ccc2CCN1C(C)C 962086660 CNABIYSUTGRVRQ-RUZDIDTESA-N 405.542 4.131 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@@]2(CC(C)(C)C(=O)O)c1cccc(N(C)C)c1 963257068 GPLOGKUIJUEZFQ-QHCPKHFHSA-N 416.949 4.305 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2OC)C(=O)OC)cc1 1772586952 VTLNSSNZHAEHEU-UZUQRXQVSA-N 413.514 4.083 0 1 HIAF CCNC(=O)c1cc2c(-c3ccccc3Cc3c(C)cccc3C)cn(C)c(=O)c2[nH]1 1857554085 CESAFSCPFRQYED-UHFFFAOYSA-N 413.521 4.491 0 1 HIAF CCc1ccc(-n2cc(CSC3=N[C@H](c4ccccc4)CC(=O)N3C)nn2)cc1 1911578532 KRRGPDKRRGOQPH-FQEVSTJZSA-N 405.527 4.022 0 1 HIAF C[C@@]1(C(=O)Nc2ccc3[nH]ncc3c2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61902990 CMUFWQVEFXVXNH-SANMLTNESA-N 424.504 4.402 0 3 HIAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCc1cccc(OC(F)(F)F)c1 771394 PHVLLTYVPZJTSY-FQEVSTJZSA-N 422.403 4.041 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(C)c2c1 4597978 ADSARGRPFNQWAA-VCBZYWHSSA-N 420.575 4.326 0 1 HIAF O=C(O)CCc1cc(C(=O)c2cccc(C(=O)O)c2)ccc1OCCc1ccccc1 26720642 GYSUAEGBUGHZKY-UHFFFAOYSA-N 418.445 4.255 0 1 HIAF CCCC[C@@H](O)C/C=C/[C@H]1[C@H](SCCO)CC(=O)[C@@H]1CCCCCCC(=O)O 28018142 VMQWEIBVVQEQMD-CAXWGYTNSA-N 414.608 4.208 0 1 HIAF CN(C)CCCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12 28244955 HRFNVPNPOIDHEJ-UHFFFAOYSA-N 403.574 4.017 0 1 HIAF OC[C@H]1CCCN1CCc1ccc(C2=CC[C@H]3CN(Cc4ccccc4)C[C@H]23)cc1 29128049 CNPAPCMIYUFOOZ-WEWMWRJBSA-N 402.582 4.221 0 1 HIAF COc1cc2ncnc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC 29134657 JLBAXNKYJZOYGQ-UHFFFAOYSA-N 415.449 4.485 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2[C@H](CCC[C@@H]2c2ccccc2)C1 40639376 SOGJYZZBYBPOFE-CBGDNZLLSA-N 413.949 4.419 0 1 HIAF O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCC1)C2 95595380 BOZSXZIQCWSGSF-ZWDAVXSWSA-N 421.507 4.466 0 1 HIAF Cc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1 96173053 JVQBNXYNNZDXQF-UHFFFAOYSA-N 400.526 4.347 0 1 HIAF O=C1C[C@H](c2coc3ccccc3c2=O)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1 96929587 IDRNOGGTOOLXSI-FDFHNCONSA-N 402.494 4.167 0 1 HIAF COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)cc1 100108335 HTJGGCMAZSVROT-UBRQYEGLSA-N 402.469 4.081 0 1 HIAF O=S(=O)(c1ccc(Cl)cc1)[C@]1(c2cc(F)ccc2F)CC[C@H](CO)CC1 100419931 OFQZHYHOSSQSPA-HJGJAMNPSA-N 400.874 4.470 0 1 HIAF Cc1cc2ccccc2n1S(=O)(=O)c1ccc2c(c1)c1c(n2C)C[C@H]2CC[C@H]1N2 100633001 LWGPDTZLECGYJQ-VQIMIIECSA-N 405.523 4.028 0 1 HIAF CC(C)C[C@H]1C(=O)N[C@@H](c2ccccc2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 103265406 FLZZZLKKLJEGNU-RTWAWAEBSA-N 421.472 4.209 0 1 HIAF Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 142929661 WDEZNVHYSZEMLM-CQSZACIVSA-N 405.483 4.187 0 1 HIAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCCc3c[nH]c4ccccc34)[C@@H]2CC1 253664793 FZGGDDNHSAVVGO-AKNSVXHUSA-N 408.542 4.136 0 1 HIAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 299878171 IMFXGXVIAMNINI-JBRSBNLGSA-N 414.505 4.333 0 1 HIAF NS(=O)(=O)Cc1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc1 586929972 KVUCYCULPSOBHL-UHFFFAOYSA-N 420.519 4.295 0 1 HIAF [O-][n+]1ccccc1SCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586968622 BJWYOLZSWXXLDI-UHFFFAOYSA-N 420.210 4.150 0 1 HIAF Cc1cc(Br)c2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1 587038276 NZQBWSAZWAWDON-UHFFFAOYSA-N 410.297 4.499 0 1 HIAF O=C(CSCc1nc2cccc(C(=O)O)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114727 XTARZQIFHFPOMI-UHFFFAOYSA-N 409.389 4.152 0 1 HIAF COc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)cc(-c2ccc(C(=O)O)cc2F)c1 587143543 IBFDZKHRGASBGJ-UHFFFAOYSA-N 406.369 4.472 0 1 HIAF Cc1nc(C(F)(F)F)ccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275779 FTFOFKNUUQFVHR-UHFFFAOYSA-N 415.165 4.036 0 1 HIAF O=C(O)c1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355822 WMLMTLIMOCRIAL-QPPBQGQZSA-N 404.393 4.430 0 1 HIAF COc1cc2c3c(c1)O[C@@H]([C@H]1CC[C@H](NC(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587431469 GHSBJUFPNNAPDV-ILXZRYGISA-N 421.493 4.296 0 1 HIAF CC(=O)Oc1cc(OC(C)=O)cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523814 LSTNHPMLJLSRKN-XMMPIXPASA-N 408.450 4.297 0 1 HIAF COc1cc(CC(=O)O)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587524811 MXDKWAPMRDHOSL-DEOSSOPVSA-N 410.466 4.090 0 1 HIAF C[C@]1(c2c[nH]c3cc(C(=O)O)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589125 NPILKCVJBRQGRD-HYBUGGRVSA-N 415.401 4.449 0 1 HIAF COC(=O)c1ccc(C)c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587656251 HZHNQRMKFDZWQL-UHFFFAOYSA-N 406.388 4.426 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2Br)N1 587680598 HZZUHTKATVUPET-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(I)c3[nH]2)cc1 587934090 AXERQIVCLGINNI-QLJPJBMISA-N 408.239 4.013 0 1 HIAF COc1ccc2c(c1OC)[C@@](CC(=O)C(F)(F)F)(c1ccc(C)o1)N(C)[C@H](C)C2 962626860 NHQXNXPYZOECEH-MPBGBICISA-N 411.420 4.247 0 1 HIAF C[C@]1(c2ccc(OC3CCOCC3)cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962759163 BIXFDDKZAPVZCN-RBBKRZOGSA-N 419.443 4.154 0 1 HIAF CCOc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(OCC)c1 962983657 ZBACSTQWTDVXDZ-BEFAXECRSA-N 411.832 4.104 0 1 HIAF CCOC(=O)[C@@]1(CC(=O)c2ccccc2C)NCCc2c(Cl)cc(Cl)cc21 963107951 KQRZHZZOYFILBG-NRFANRHFSA-N 406.309 4.479 0 1 HIAF CCN1C=C(C(=O)O)[C@@]2(NCCc3c(OC)ccc(Cl)c32)c2cc(Cl)ccc21 963257446 KKAXIMBOXFRKFA-NRFANRHFSA-N 419.308 4.200 0 1 HIAF O=C(N[C@H]1CC[C@H]([C@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1)c1ccccc1 1857551503 GGPLEOHHSWNDKN-PDKZGUECSA-N 401.510 4.193 0 1 HIAF COc1ccc(CCNc2c(-c3ccc4nccn4c3)nc3ccccn23)cc1OC 1857555931 SWFVHYVITVCQAG-UHFFFAOYSA-N 413.481 4.321 0 1 HIAF CC(C)CCn1ccc2c(OCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)cccc21 2356759422 PFZWJRVGKADQKP-IFMALSPDSA-N 411.590 4.447 0 1 HIAF O=c1c2c(n3nnnc3n1Cc1ccc(Cl)cc1)-c1ccccc1CC21CCCC1 199230787 QITFDJWYDWPWLU-UHFFFAOYSA-N 417.900 4.023 0 3 HIAF O=C1N[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1 6579609 OVTFTTYZDSKPMS-UBFVSLLYSA-N 400.522 4.185 0 1 HIAF CC(=O)c1ccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)cc1 13443508 RJTCZABUFMJLNH-UHFFFAOYSA-N 411.521 4.495 0 1 HIAF CC(C)Nc1ccc(-c2ccccc2)c(CC(=O)NCc2ccc(C(=N)N)cc2)c1O 13527442 CTWGJCJJBKHITF-UHFFFAOYSA-N 416.525 4.022 0 1 HIAF CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)C(C)(C)N(C)[C@@H]1c1ccccc1 26379684 HOEXDFLXQKKUKP-HXUWFJFHSA-N 417.550 4.018 0 1 HIAF CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(F)cc(F)cc23)on1 40404832 VBRYYABEMICSRD-UHFFFAOYSA-N 402.275 4.276 0 1 HIAF CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(F)cc2)CC[C@@H](N(C)C)C1 60326004 KRPCTINTZHMCJG-OAHLLOKOSA-N 418.559 4.158 0 1 HIAF CC(C)NC[C@H](O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2N(C)C 66262840 QRJWWKRLFSIDAO-JFNVBFOXSA-N 414.634 4.211 0 1 HIAF COc1ccc([C@@H]2Nn3c(nnc3-c3cc(OC)ccc3Br)S2)cc1 73294559 OYLLLUYYVNWVAQ-MRXNPFEDSA-N 419.304 4.073 0 1 HIAF COCCn1c(CCc2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188554 OSYSSFDCTKQHMX-LJQANCHMSA-N 415.541 4.474 0 1 HIAF CCCC[C@]12C[C@]1(C(=O)Nc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc12 101049409 WTKWKSURDRXGQX-YADHBBJMSA-N 412.873 4.447 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3nc(C(F)(F)F)ccc3F)C2)cc1 169709222 OYCBAGWDLRVDOI-LRDDRELGSA-N 411.399 4.094 0 1 HIAF Cc1c(N2C=C(O)NS2(=O)=O)csc1-c1cccc(NC2CCCCC2)c1 169719927 HOUZOHIWDSZKIU-UHFFFAOYSA-N 405.545 4.479 0 1 HIAF COc1cc([C@H]2CC(c3nc4cc(C)c(C)cc4nc3C)=NN2)cc(OC)c1OC 199346955 FGSNQUAFDKJLOV-MRXNPFEDSA-N 406.486 4.020 0 1 HIAF Fc1ccc(-c2n[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 201116894 RPYGDVQBRLSKDU-NHCUHLMSSA-N 417.488 4.447 0 1 HIAF COc1cc(CO)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2s1 220920869 AOAJEWWIMWVPQJ-GOSISDBHSA-N 407.495 4.005 0 1 HIAF CS(=O)(=O)c1ccccc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224576709 DAWSAOPLHQJKSK-UHFFFAOYSA-N 413.474 4.328 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(-c3cncc(F)c3)n[nH]c2C1 225997779 PBXJYIYEZNDZOP-UHFFFAOYSA-N 424.785 4.482 0 1 HIAF Cc1ccc(C(=O)Cc2nc3ccc(O)c4c3c(c2CCO)-c2ccccc2C4=O)cc1 586989551 BDKMWONKGGOFTP-UHFFFAOYSA-N 423.468 4.420 0 1 HIAF O=C(Nc1nc(Cc2nc3cc(Br)cnc3[nH]2)cs1)c1cccs1 587019627 PLRDMIYGMREWLM-UHFFFAOYSA-N 420.317 4.082 0 1 HIAF Cc1cc(Br)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587085391 VQYIWCQPCHDERX-UHFFFAOYSA-N 406.715 4.461 0 1 HIAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1F 587144071 IASRWQQVDYPCEF-NRFANRHFSA-N 404.401 4.332 0 1 HIAF Cc1c(Cl)ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c12 587183408 XLIJGUPBVHDGCT-SECBINFHSA-N 400.651 4.244 0 1 HIAF CN(C)CCOc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587223437 BEHFDGGPDRGQQB-LJQANCHMSA-N 402.539 4.259 0 1 HIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)n1 587342053 YKXGTNMGINKMPI-NZQKXSOJSA-N 409.413 4.218 0 1 HIAF Cc1ccc2c(c1)[C@]1(CC(=O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355423 DERSNTDEPKFTLK-VWNXMTODSA-N 404.393 4.403 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(c1cccc(C=O)c1)CC2=O 587479464 IMIWPHCPJRVBOO-DEOSSOPVSA-N 410.466 4.361 0 1 HIAF C[C@]1(c2cncc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547287 QECARJRZZUOOHR-FXAWDEMLSA-N 412.239 4.427 0 1 HIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc(N2CCCCC2)n1 587595685 PYWIJKOHHQTDQX-NZQKXSOJSA-N 417.465 4.184 0 1 HIAF C[C@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599112 ZTLKCIOJDNOXKZ-WIOPSUGQSA-N 417.461 4.106 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 587701795 CNBWQVORKPBKOY-PWJLMRLQSA-N 423.717 4.455 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2N2CCOCC2)N1 587722547 SLIQXKRCKXOCQC-YUNKPMOVSA-N 423.301 4.188 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ncccn2)N1 587734581 OCOVWSHZQQAIJI-MPBGBICISA-N 416.269 4.343 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCC(=O)O)c2)N1 587791356 HRTLAONDXIIRGD-JEOXALJRSA-N 408.267 4.065 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCC(=O)N3)N1 587792970 JBFBMVZRTVVKIW-BIBXISHDSA-N 403.295 4.271 0 1 HIAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O 587809865 VNLQZAGVTOQTHF-OVWNDWIMSA-N 408.267 4.146 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2C[C@@H]2C(=O)O)N1 587828657 UQJLRYCWTBZRMI-XGRCCOSOSA-N 404.279 4.087 0 1 HIAF CCOC(=O)c1csc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587856074 XUEUBNIKMPPVQZ-VVVCHXIZSA-N 413.312 4.019 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(OC)c1O 587864589 MJNCCVWNHLFVMZ-UHFFFAOYSA-N 406.360 4.370 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(Cl)cc2Cl)NCCc2c1c(C(C)C)nn2C 962912954 PUHWQUPUQSPWRU-HXUWFJFHSA-N 410.345 4.193 0 1 HIAF CC(C)c1nn(C)c2c1[C@@](c1ccccc1)(c1ccc(CN3CCC3)cc1)NCC2 962918294 NYIHAGWJLFUYKZ-AREMUKBSSA-N 400.570 4.187 0 1 HIAF CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)c2c(F)cccc2C[C@H]2CCCN21 963113766 ZUIJVVBCEVFVHJ-CJFMBICVSA-N 409.501 4.229 0 1 HIAF Cc1nn2c(O)cc(C3CCN(C(=O)C(C)(C)C)CC3)nc2c1-c1ccc(F)cc1 1772584759 MDVILHUIZUHFTG-UHFFFAOYSA-N 410.493 4.302 0 1 HIAF Cc1c(C(=O)NCCc2ccc(N3CCCC3)cc2)[nH]c2ccc(Cl)cc2c1=O 1772628349 DASPFCNYUUGYII-UHFFFAOYSA-N 409.917 4.063 0 1 HIAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(-c3ccnc(C)c3)c12 1772641698 LMUJNZQIXRBANR-CQSZACIVSA-N 402.458 4.220 0 1 HIAF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c(Cl)[nH]1 1857617557 FGEMOROADUHEQW-HNNXBMFYSA-N 422.316 4.326 0 1 HIAF CC(C)CC(=O)OC[C@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1[C@@H](O)C=C1C(=O)OC[C@H]12 2356805249 ZQQHCEMYZRTQFU-UETJVLSZSA-N 418.574 4.279 0 1 HIAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6cccc(F)c6)cccc5c4CCN3C(=O)[C@@H]12 199738221 RLOBFFPVXZPYJM-CUCDBKBVSA-N 405.473 4.054 0 3 HIAF Cc1ccnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)c1 4793814 WLZGARCMSDGRQK-RPWUZVMVSA-N 424.504 4.431 0 1 HIAF CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1 13646510 BLVKWTTVQWKNFW-QFIPXVFZSA-N 421.928 4.386 0 1 HIAF O=C1c2ccccc2CN1CCCCCN1CCN(c2nsc3ccccc23)CC1 13745260 DODCYUIQFWNTQY-UHFFFAOYSA-N 420.582 4.245 0 1 HIAF CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3ccc4c(c3)OCO4)[C@@H]1C2 26493519 UWTDAMJOHRHQAS-GYJVXLMBSA-N 413.514 4.397 0 1 HIAF O=C(O[C@H]1CCCN(Cc2ccc(F)cc2)C1)C(O)(c1ccccc1)c1ccccc1 27522228 DEMLLOYFOUYFAC-DEOSSOPVSA-N 419.496 4.269 0 1 HIAF Cc1cc(C)c(-n2c(C)c(C)c3c(N4CCN(CCF)CC4)nc(C)nc32)c(C)c1 27751761 OJGVRHHFBLUHBN-UHFFFAOYSA-N 409.553 4.363 0 1 HIAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc(C(F)(F)F)c1 28572735 ZKVDIQXCFGPNNV-FQEVSTJZSA-N 423.394 4.251 0 1 HIAF Cc1cccc(Nc2nc(NCCc3ccc(O)cc3)ncc2C(=O)NC(C)C)c1 28640582 RVXKZYBUEFPPNR-UHFFFAOYSA-N 405.502 4.027 0 1 HIAF CSC[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 29044044 XNHYVMCHXKZYHD-MRVPVSSYSA-N 412.355 4.040 0 1 HIAF COc1ccccc1N(C(=O)[C@@H](C)OC)[C@H]1CCN(CCc2cccs2)C[C@H]1C 34114418 MMLFNTYVDTXUQB-GGPKGHCWSA-N 416.587 4.078 0 1 HIAF CCN(CC)C(=O)[C@@H]1CCCN(c2cc(C)nc(Nc3ccc(Cl)cc3)n2)C1 45335889 QJFLRRRVEZXWJZ-MRXNPFEDSA-N 401.942 4.267 0 1 HIAF Fc1cccc(CNc2ncnc3c2nc(-c2cccs2)n3C[C@H]2CCCO2)c1 82181674 HCBRPXIYBGBQRQ-MRXNPFEDSA-N 409.490 4.485 0 1 HIAF Clc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@H]2CCCO2)cc1 82184959 JUZNYXYSWUYYBX-GOSISDBHSA-N 420.904 4.333 0 1 HIAF CN(C)CCN1C(=O)c2cccc3c2c(cc2nc(-c4ccccc4)sc23)C1=O 95588427 KQZSUBSXVXBQGX-UHFFFAOYSA-N 401.491 4.274 0 1 HIAF CO[C@@]1(C(F)(F)F)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21 95594969 IOGCMOIXQITSER-HXUWFJFHSA-N 419.378 4.177 0 1 HIAF CC(C)(CO)NC(=O)/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 95603927 UXVOFCSJVMHXPQ-LQKWLNOTSA-N 401.591 4.124 0 1 HIAF CC(=O)N1CCc2nc(C)c([C@@H](OC(C)(C)C)C(=O)O)c(-c3ccc(C)cc3)c2C1 146782565 TWLCLCOEUHXQIS-JOCHJYFZSA-N 410.514 4.211 0 1 HIAF Cc1noc(C)c1Cc1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 169307423 KFCKBIWZAOBKIG-UHFFFAOYSA-N 410.499 4.278 0 1 HIAF C[C@@H]1c2ncnc(-c3ccn[nH]3)c2CCN1C(=O)c1ccc(F)c(Cl)c1Cl 225927971 RODCWXMGGHHCSB-SECBINFHSA-N 406.248 4.072 0 1 HIAF CC1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)[C@H](OC(=O)C(C)C)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 238763398 ISOHYHVXOVWOIT-AJFVNCRVSA-N 404.547 4.333 0 1 HIAF CCCCc1cc(=O)oc2cc(OCc3nc4cccc(C(=O)OC)c4[nH]3)ccc12 586919301 ZLXKNABORFAIDJ-UHFFFAOYSA-N 406.438 4.378 0 1 HIAF Cc1ccnc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc12 586970027 SINMYIRISAJXSL-GJZGRUSLSA-N 420.542 4.115 0 1 HIAF COc1cc(OC)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 586999275 XWGTUBZLLYVCRZ-ONEGZZNKSA-N 403.232 4.242 0 1 HIAF COc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1OC 587017481 LOCRGAGFWJBOCY-UHFFFAOYSA-N 403.467 4.995 0 1 HIAF CCOc1ccccc1[C@@](N)(c1nc2cccc(Br)c2[nH]1)C(F)(F)F 587093367 TWJQMYOJYNSXNF-MRXNPFEDSA-N 414.225 4.489 0 1 HIAF O=C1C[C@H](c2nc3ccc(Br)c(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587150200 QMFBDCUYXZGFIP-JTQLQIEISA-N 424.220 4.259 0 1 HIAF CN1CCN(c2ccc3nc([C@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3c2)CC1 587223422 AVNIVULZYMEMDR-HXUWFJFHSA-N 413.566 4.071 0 1 HIAF O=C(O)CC[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350685 XWKGEFSEBABUKQ-GGAORHGYSA-N 407.397 4.046 0 1 HIAF COC(=O)c1ccc(COc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)o1 587405499 XGGJWSXWZYKXJS-XMMPIXPASA-N 421.449 4.416 0 1 HIAF COc1cc2c3c(c1)O[C@](C(=O)c1ccc(C(C)=O)cc1)(c1ccccc1)[C@@H](C2)C3=O 587445496 KGFVIDIABZFXNR-HFZDXXHNSA-N 412.441 4.424 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CN1CCOCC1)(c1ccc(CC)cc1)CC2=O 587474456 HHVLYFLCOAZQSU-RUZDIDTESA-N 409.526 4.100 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OC)c(OC)c1)CC2=O 587483103 VBEDPYIZLAAAGT-QHCPKHFHSA-N 414.454 4.087 0 1 HIAF Cc1ccc([C@]2(c3nccn3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587574496 BICWBMHCWMMVDY-BWKNWUBXSA-N 412.445 4.340 0 1 HIAF Nc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1N 587577793 LWCHHNMTGQEKMH-BVAGGSTKSA-N 424.456 4.462 0 1 HIAF CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CO 587599428 XIRXPANIJXEGAO-ZJSXRUAMSA-N 406.434 4.376 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)O)(c3ccccc3)C2)N1 587828724 UWDZXQIGEWTTEM-ASVYPPMBSA-N 404.279 4.134 0 1 HIAF CCN(c1ccc(-c2csc(-c3cc(OC)ccc3OC)n2)cc1)S(C)(=O)=O 587922369 CPOMBGNWPWMJSN-UHFFFAOYSA-N 418.540 4.280 0 1 HIAF Cc1nc(Nc2ccc(F)cc2)sc1[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962917423 GXPHBBKCTYDYPU-UWJYYQICSA-N 415.465 4.336 0 1 HIAF O=C(O)c1cccc2c1CCN[C@@]21C=COc2c(Br)cc(Cl)cc21 963121949 MIFNMIYRFAXFDB-SFHVURJKSA-N 406.663 4.096 0 1 HIAF FC(F)(F)c1ccc(CN2CCC[C@@H](c3nnn4cnc5[nH]ccc5c34)C2)cc1 1772574372 CHFGYUDQHWGNLY-CQSZACIVSA-N 400.408 4.004 0 1 HIAF Cc1ccc(N2C(=O)CS[C@@H]2c2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1 1857613313 IUZRUBNUYDSUAT-IQMFZBJNSA-N 407.539 4.107 0 1 HIAF O=C(CCc1ccccc1Cl)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 20450791 CLPXAGLSWCNDIA-INIZCTEOSA-N 411.855 4.472 0 3 HIAF Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1OC(F)(F)F)N1CCN(C)CC1 95568585 ACAPFGPRUXVEIJ-FQEVSTJZSA-N 421.463 4.129 0 3 HIAF C=CS(=O)(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 592659 GUBVOGOFXDIUMZ-UHFFFAOYSA-N 400.931 4.205 0 1 HIAF Cc1nc(N2CCCC[C@@H]2C)c2c(C)c(C(=O)Nc3nnc(C)s3)sc2n1 753888 MJAPOBBBVBGCGH-VIFPVBQESA-N 402.549 4.099 0 1 HIAF CN1c2ccccc2C(c2ccccc2)=NC[C@@H]1CCNC(=O)c1ccc(F)cc1 3955492 AESATWJIMVTHFR-NRFANRHFSA-N 401.485 4.302 0 1 HIAF O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 4208440 MTLMAUYBFGHICD-PZJWPPBQSA-N 410.857 4.220 0 1 HIAF CCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(C)c2)C1=O 6592125 GZSAAFZDARQPDR-RCZVLFRGSA-N 415.537 4.351 0 1 HIAF biogenic COC(=O)c1ccccc1OCC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 7096669 WADYQIXVEFYEMU-UHFFFAOYSA-N 413.857 4.424 0 1 HIAF biogenic CSc1nnc(CNC(=O)/C=C/c2ccccc2Cl)n1-c1ccc(F)cc1 11786590 GXQCDRFXBDBZLL-IZZDOVSWSA-N 402.882 4.111 0 1 HIAF CN(CCNc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O 13560147 CAFBNEJZNQABOY-UHFFFAOYSA-N 412.361 4.047 0 1 HIAF CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCc2ccccc2)C1 13677524 LAZPRLXGVMZIOA-PZJWPPBQSA-N 402.991 4.425 0 1 HIAF CCCCn1c(Sc2nc3cccc(OCC)c3s2)nc2c(N)ncnc21 14974481 GFDRBERQRZPBST-UHFFFAOYSA-N 400.533 4.368 0 1 HIAF CN(Cc1nc2ccccc2n1CC[C@@H]1CCCCN1)[C@@H]1CCCc2cccnc21 34821224 CEZDJMFFDIZREC-NZQKXSOJSA-N 403.574 4.473 0 1 HIAF Fc1ccc(Cn2ccc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)cc1 84603116 UERZNXRHTRLUKC-UHFFFAOYSA-N 423.517 4.119 0 1 HIAF O=C(Nc1ccc(Cl)nc1)c1ccc(S(=O)(=O)Cc2ccc(F)cc2)c(F)c1 84759318 QQIXWILJAULXGO-UHFFFAOYSA-N 422.840 4.239 0 1 HIAF O=C(NCc1ccc(Cn2cccc2C(=O)O)cc1)NC12CC3CC(CC(C3)C1)C2 95578509 ILQIBDWPDBENBC-UHFFFAOYSA-N 407.514 4.003 0 1 HIAF CCC[C@H](NC(=O)OCC(F)(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 95591943 VCACKQYMSULRQF-SKDRFNHKSA-N 421.416 4.070 0 1 HIAF CN1[C@H]2CC[C@@H]1Cc1c2c2cc(S(=O)(=O)c3ccc4[nH]ccc4c3)ccc2n1C 96175292 OBYIQVADFNDRMU-VFNWGFHPSA-N 405.523 4.184 0 1 HIAF O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 100107907 NPFKLJWHOPQHQD-NITDQJKBSA-N 424.500 4.166 0 1 HIAF CC(=O)N[C@H]1CC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)CC1 101556837 LQQLWOIHCSEMRP-OKILXGFUSA-N 416.888 4.125 0 1 HIAF O=C1c2cc(Cl)ccc2OCC[C@H]1CN1CCN(c2ccccc2Cl)CC1 103211995 KPVOFZAWXWUTSN-HNNXBMFYSA-N 405.325 4.397 0 1 HIAF Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(N)=O)c[nH]3)c2)c1 116235763 NPVZREMPJKVXQU-UHFFFAOYSA-N 402.410 4.122 0 1 HIAF CN1C(=O)N(c2ccc(Nc3n[nH]c4cccnc34)cc2Cl)C(=O)[C@H]1C(C)(C)C 166886587 GMAIHWNDASSSEY-INIZCTEOSA-N 412.881 4.168 0 1 HIAF CC(C)=Cc1c(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cccc1C(F)(F)F 167703597 DYXHQOILPANHKB-UHFFFAOYSA-N 403.400 4.481 0 1 HIAF CN(C)CCOc1ccc(-n2c(-c3ccc(O)cc3)cc3ccc(O)cc3c2=O)cc1 169348164 WRVHNQZNVDKUSK-UHFFFAOYSA-N 416.477 4.009 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)[C@@H]3CC)nn2-c2ccccc2)c1 169707003 UTRJSZWCCXCAFG-NHCUHLMSSA-N 416.525 4.203 0 1 HIAF COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C/c2cccs2)cc1 299821468 JIXYOWUALNKCNY-LDADJPATSA-N 419.462 4.211 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@@H](C)c3ccc(C)cc3)nc2c1 586892976 YPEPDSCYXAJHFB-APPDUMDISA-N 403.276 4.258 0 1 HIAF COc1cc(OC)c2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2c1 586922529 VHJSFFFMYRIPCD-UHFFFAOYSA-N 408.479 4.221 0 1 HIAF O=C(c1ccccc1)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587035630 XBFDCDSASLMXRQ-UHFFFAOYSA-N 401.491 4.274 0 1 HIAF CC(=O)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 587064529 UZBLBBDAANYTLV-UHFFFAOYSA-N 407.857 4.327 0 1 HIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(I)cc2[nH]1 587175433 SGTSHYMBDBBJLX-CYBMUJFWSA-N 420.229 4.030 0 1 HIAF NC1CCC(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1 587257025 XOHKZWPANAABFD-UHFFFAOYSA-N 404.923 4.002 0 1 HIAF COCCOC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349616 QGFVYXPMWIMZGJ-OFNKIYASSA-N 402.462 4.338 0 1 HIAF Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587411404 ZMDHUMMSAIAWFS-XMMPIXPASA-N 421.518 4.198 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422267 SOWVHZYFQMLTPH-KSALOMHHSA-N 403.400 4.432 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O 587424388 YMVLFMBPNYQNBZ-ZRTRKKQLSA-N 401.409 4.015 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc3c(c1)OCCO3)CC2=O 587481871 IOBUGGMGEYMICL-HXUWFJFHSA-N 406.438 4.213 0 1 HIAF CCOC(=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525075 PNCZXTLRWAMVPE-RDGATRHJSA-N 422.477 4.078 0 1 HIAF CCOC(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592435 HDAFHGZRQHNHCD-QPPBQGQZSA-N 420.417 4.037 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ncccn2)s1 587614072 QZKONEGMFOHUJI-LPHOPBHVSA-N 403.419 4.009 0 1 HIAF CCN(CC)c1ccc(-c2nn(-c3ccc(OC)cn3)c(=O)c3ccccc23)c(O)c1 587665176 NVSMZTRFYWXJOO-UHFFFAOYSA-N 416.481 4.008 0 1 HIAF CCn1ncc([C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587723396 WOOKUSJVXROATB-XLFHBGCDSA-N 402.258 4.156 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2ccnc2)(c2cccc(F)c2)N1 587735218 XHSVWSTVPAQMSD-ZUOKHONESA-N 418.285 4.402 0 1 HIAF COc1ccc2c(c1)nc([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)n2C 587760603 ZBSPVCFGQVEAGR-XTZNXHDOSA-N 404.283 4.107 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1 587867425 DQYRGUIKXANQCX-CYBMUJFWSA-N 405.376 4.389 0 1 HIAF C[C@H](c1cccc(C(F)(F)F)c1)n1cc(C(=O)Nc2nn[nH]n2)c2ccccc21 621485744 JEZUPFMNXKCICK-LLVKDONJSA-N 400.364 4.035 0 1 HIAF COc1ccc2[nH]c([C@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)c(C)c2c1 962961707 GZGRHBPXTSYSFL-KXBFYZLASA-N 406.816 4.105 0 1 HIAF O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)CN(C(=O)c2cccc(-c3ccco3)c2)C1 1772603905 DFSMJFIICIFMPD-KRWDZBQOSA-N 422.868 4.270 0 1 HIAF CCNC(=O)c1ccc(-c2c(C)nc3c(OCc4ccc(F)cc4)cccn23)cn1 1911572719 IZNNTEYTBLGXKZ-UHFFFAOYSA-N 404.445 4.173 0 1 HIAF COc1ccc(Nc2nnc(Cl)c(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1 1911581918 OKUYAHYKONRWQD-UHFFFAOYSA-N 417.853 4.047 0 1 HIAF c1nc(NCc2ccc3c(c2)OCO3)c2cc(-c3ccc4c(c3)OCCO4)ccc2n1 36380619 JETBHVUMRVCOME-UHFFFAOYSA-N 413.433 4.409 0 3 HIAF CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCc1ccc(F)cc1 5434182 QGTOFJLHFCFPDO-IRXDYDNUSA-N 417.912 4.069 0 1 HIAF biogenic Cc1ccccc1C[n+]1ccn(CCC(C(N)=O)(c2ccccc2)c2ccccc2)c1C 26821331 ZDZAQBDJVMWSOR-UHFFFAOYSA-O 424.568 4.302 0 1 HIAF COc1cc(CNCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1 28393831 FZZUSQOWJALHIC-UHFFFAOYSA-N 411.424 4.024 0 1 HIAF O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccnc2)CC1 34802190 PGOGWBOUZHXTME-UHFFFAOYSA-N 412.537 4.015 0 1 HIAF O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(OC(F)(F)F)cc21 40380459 KNDNRZHNOCUJFL-UHFFFAOYSA-N 400.150 4.077 0 1 HIAF Cc1nnc(C(C)C)n1C1CCN([C@H](C)C[C@H](NC(=O)C2CC2)c2ccccc2)CC1 40402234 QJNMZPAPGPGAOX-JPYJTQIMSA-N 423.605 4.393 0 1 HIAF CCCCC[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40979150 RURTYPDLWJYNHM-HZPDHXFCSA-N 401.981 4.405 0 1 HIAF COc1cccc(Nc2nccc(NC[C@H](O)c3cccc(C(F)(F)F)c3)n2)c1 45167227 BZOJYHGLQFLMJE-KRWDZBQOSA-N 404.392 4.393 0 1 HIAF O=c1c(-c2nnc(S)n2Cc2ccccc2)c[nH]c2c(C(F)(F)F)cccc12 45288439 ALXPQWLEFKLZTQ-UHFFFAOYSA-N 402.401 4.142 0 1 HIAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@H]1c1ccc(C(F)(F)F)cc1 73141816 QBHOSUNKLBANFW-UYAOXDASSA-N 408.372 4.104 0 1 HIAF COc1cc(-c2nc(NC3CCCC3)ncc2-c2ncc(C)o2)cc(OC)c1OC 82166559 GIABDTRTKWEEFV-UHFFFAOYSA-N 410.474 4.487 0 1 HIAF CC(C)NCCNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 141414476 IRFXJFPGGXUIKC-UHFFFAOYSA-N 403.526 4.399 0 1 HIAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@H]3CC[C@]12C 169370591 SLZJMEMEWDUTRZ-SVWLCPBZSA-N 403.611 4.127 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 299882181 PHFXWLKDVFDSCF-WVCOCCBZSA-N 418.896 4.094 0 1 HIAF CSc1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 586951228 RGFOHFGONPTDKH-UHFFFAOYSA-N 416.572 4.217 0 1 HIAF CC(C)(SCc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)O 586958305 DEWJVAGYBDJRDY-UHFFFAOYSA-N 408.115 4.184 0 1 HIAF Clc1cc(Cl)c(Br)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 586977828 TWNVOSBQRWGHJJ-UHFFFAOYSA-N 410.062 4.275 0 1 HIAF O=C(Nc1nc(Cc2nc3cc(Cl)c(F)cc3[nH]2)cs1)c1cccc(O)c1 587020128 XYXWJIFUOIRDBQ-UHFFFAOYSA-N 402.838 4.361 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(Br)c4[nH]3)cc12 587038413 SQCGEJKZMSPHKB-SECBINFHSA-N 418.320 4.073 0 1 HIAF O=C(CSCc1nc2ccc(C(=O)O)cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114015 PGESXGWNZDNVBH-UHFFFAOYSA-N 409.389 4.152 0 1 HIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587167458 NLUANPIKXBUOFZ-CQSZACIVSA-N 404.348 4.393 0 1 HIAF Nc1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1C(=O)O 587248343 NVZOGWSIGNPTTF-UHFFFAOYSA-N 400.154 4.292 0 1 HIAF Cc1cccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587334507 JRWBTBBICWNAIQ-VWNXMTODSA-N 420.440 4.381 0 1 HIAF Nc1n[nH]cc1[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377522 RUBMLMBTKFTGDL-SIKLNZKXSA-N 421.453 4.201 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cnc1F 587569869 NAWVKLZEXFQZSM-CRAIPNDOSA-N 416.202 4.392 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585058 CHJNZKCADMDFMA-GGMMCWFTSA-N 423.465 4.264 0 1 HIAF CCn1ncc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587701361 CKYJJZIBLCMWMU-JDNHERCYSA-N 420.248 4.453 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C(=O)OC(C)(C)C)CC2)N1 587768851 MUJJPZVGUHMSTM-HXPMCKFVSA-N 411.315 4.472 0 1 HIAF COc1cc(Br)cc2c1nc(C)c1c(C)nc(-c3cccnc3F)n12 653782512 RMWWNYKNAPEPNW-UHFFFAOYSA-N 401.239 4.472 0 1 HIAF Cc1ccc(COn2ccnc2[C@H]2c3ccsc3CCN2Cc2cccn2C)cc1 962402365 ZRZHMWSPEJZAPC-HSZRJFAPSA-N 418.566 4.368 0 1 HIAF C[C@H](Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12)C1CCOCC1 1772633384 WLSSUKXDZCTMRL-LSDHHAIUSA-N 408.506 4.068 0 1 HIAF CC(C)(O)CCNC(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772643909 MUITUICNDDATFZ-UHFFFAOYSA-N 419.403 4.332 0 1 HIAF Cc1ccc([C@H]2C(C(=O)O)=CC[C@@H](c3ccc(Cl)cc3)N2S(C)(=O)=O)cc1 1857541162 MMVJMHVOSJTUAC-OALUTQOASA-N 405.903 4.107 0 1 HIAF CCCNC(=O)c1cc2c(cc1OC)[C@@]1(C)Cc3cnc(C)nc3C(C)(C)[C@H]1CC2 1857542278 WVPOYOUBCOMVDP-PXDATVDWSA-N 407.558 4.287 0 1 HIAF CC1=C(CC[C@](C)(O)C=CCC(=CC[C@H]2OC(=O)C=C2CO)CO)C(C)(C)CCC1 2356421191 BTSJKOQHESKBDD-RCZVLFRGSA-N 418.574 4.143 0 1 HIAF CC(=O)O[C@H]1C[C@@H]2[C@]3(C)C[C@H](OC(C)=O)CC(C)(C)[C@@H]3CC[C@@]2(C)[C@H]2[C@@H](CO)[C@@]12C 2356441099 FPQQEIMHYJQCSQ-XGPQQGRWSA-N 420.590 4.357 0 1 HIAF CCc1nc(-c2nc(C=C[C@H](OC)[C@H](C)C(=CC(=O)OC)OC)cs2)cs1 2356505124 SJCBHNAYTHVEQH-WFASDCNBSA-N 408.545 4.197 0 1 HIAF COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 2487420 QWXIFFLXGWKVRV-NRFANRHFSA-N 416.562 4.236 0 1 HIAF O=C(NCCCCc1ccccc1)c1ccccc1CNCCc1cccc(O)c1 13589109 NTMAZTWUYVHHDC-UHFFFAOYSA-N 402.538 4.477 0 1 HIAF COc1cc(C[C@@H](C)NCc2ccccc2)c(OC)cc1I 26017154 HHZGSRWUNZMEDM-CYBMUJFWSA-N 411.283 4.029 0 1 HIAF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccccc3O)CC[C@@H]12 26957398 BGGSGEZOWWTTGS-ZGOYAFEQSA-N 408.542 4.244 0 1 HIAF CCOC(=O)CCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(C)=O)c1=O 28772305 CJFFJNFIVLQGNP-UHFFFAOYSA-N 404.466 4.123 0 1 HIAF COc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1OCCN1CCCCC1 28819741 PJXFMOJRGXCYJL-UHFFFAOYSA-N 400.906 4.374 0 1 HIAF Clc1ccc(N2N=C(CNN3CCOCC3)C[C@@H]2c2cccs2)c(Cl)c1 28866952 RQQMMRHOBQYDJE-QGZVFWFLSA-N 411.358 4.199 0 1 HIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C(O)C(=O)[C@@]21C 33820888 VDDZGGYYASHXNZ-AVOREMQFSA-N 404.547 4.492 0 1 HIAF CNC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1 36418086 QHMOZKVAGIEXJR-UHFFFAOYSA-N 410.236 4.053 0 1 HIAF in-vitro COc1ccc(NC(=O)Nc2cccc(-c3ccncc3)c2)cc1N1CCN(C)CC1 45226814 VWVQEXOPOOIFRS-UHFFFAOYSA-N 417.513 4.153 0 1 HIAF CCOC(=O)CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49112917 JUXYBFRKUPRJRJ-AWEZNQCLSA-N 415.317 4.046 0 1 HIAF CNC(=O)c1cc(Oc2ccc(NC(=S)Nc3ccc(OC)cc3)cc2)ccn1 84670705 LDPGJAITWDKGJK-UHFFFAOYSA-N 408.483 4.051 0 1 HIAF CN(C)Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1 103294156 WIUYFJQWJMBTCE-RBUKOAKNSA-N 417.538 4.490 0 1 HIAF CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccc(Cl)c(F)c2O1 143364259 CJWATZCOQWIODX-CQSZACIVSA-N 419.840 4.234 0 1 HIAF CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1)c1ccccc1 299886487 XGQMKJRYIUKUDL-UKILVPOCSA-N 413.521 4.421 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3nc(Cl)c[nH]c-3n1)N2 587031138 LURIJQKMZUEBPA-LLIKBPFYSA-N 406.924 4.085 0 1 HIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(F)cnc(Cl)c2[nH]1 587112076 GRFFPWFACQLNCX-MRXNPFEDSA-N 400.763 4.169 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 587229789 CCPFHBKAVNRPSK-PMACEKPBSA-N 407.514 4.178 0 1 HIAF C[C@]1(c2ccc3c(c2)OCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351296 UDZHFEWHGVGEDB-ISKFKSNPSA-N 419.408 4.137 0 1 HIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C1)[C@@H](C2)C3=O 587442370 IOXROGAEORFDMY-VWMXVWASSA-N 413.514 4.383 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C=C(C)Oc4c1c(OC)c1ccoc1c4OC)[C@@H](C2)C3=O 587455438 MMZKYMDQEHTPQC-OWJWWREXSA-N 420.417 4.398 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 587490553 YDSPLTJIUAURMB-ANCIUUTRSA-N 401.503 4.326 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1-n1cccn1 587558113 QCHXXRQHVRTJDF-AUSIDOKSSA-N 402.381 4.420 0 1 HIAF CCc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)cc1 587652505 SXKOIXQDSNHEHG-UHFFFAOYSA-N 408.841 4.473 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](N=O)C(=O)Nc2ccccc2)N1 587741718 IEOZWFQQWKPLGC-BAXPTACRSA-N 420.282 4.111 0 1 HIAF CC(=O)Nc1ccc2c(c1)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587744197 QZRJLPYLIWJFHZ-BIBXISHDSA-N 403.295 4.271 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(Cc3ccccc3)C[C@H]2C)N1 587760177 JGJPDGJNKOYJCY-PZPWOCDFSA-N 403.339 4.470 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(C2CCOCC2)N1 587778606 NIVWVRWTIPJOTO-RNODOKPDSA-N 405.311 4.188 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCC(=O)O)cc2)N1 587791389 IAXKSJBHMVVVQW-MPBGBICISA-N 422.294 4.239 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCC(=O)O)cc2)N1 587793531 NLRDLBXMAIAZJE-YUNKPMOVSA-N 422.294 4.455 0 1 HIAF CC(C)(CN1C(=O)c2ccccc2[C@H]1C(=O)NCCCF)c1ccc(Cl)cc1 653723923 PLURIBOHSAYLHF-IBGZPJMESA-N 402.897 4.291 0 1 HIAF COc1cc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1SC(F)(F)F 963019157 DSDMDOSWBGDUNS-HXPMCKFVSA-N 408.445 4.450 0 1 HIAF CCCc1ccc([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963149737 QMVSCMMYXZDVGO-DLBZAZTESA-N 402.516 4.431 0 1 HIAF O=C(N[C@@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2cccc(F)c2)cc1 1857566642 DNJOGKIMTFEQAQ-QHCPKHFHSA-N 413.452 4.371 0 1 HIAF COc1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2Cc1ccc2c(c1)OCO2 1857767381 WKZRCXZKIMKIMG-UHFFFAOYSA-N 402.406 4.218 0 1 HIAF CCCCOc1ccc([C@H](C)NC(=O)CCS(=O)(=O)Cc2ccccc2F)cc1 2940956 ALMJZCWQYLXHEI-KRWDZBQOSA-N 421.534 4.187 0 3 HIAF Cn1ccnc1[C@H]1CCCCN1C(=O)c1cc(COc2ccc(F)cc2Cl)on1 12302055 ZVAQJLZGAVMXES-QGZVFWFLSA-N 418.856 4.147 0 3 HIAF CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)cc1 4208266 QTPNFNSMBKREKY-IRLDBZIGSA-N 412.917 4.414 0 1 HIAF O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F)N1CCOCC1 4208537 JTDPTQRHMFDLDJ-MJGOQNOKSA-N 423.271 4.083 0 1 HIAF CC(C)=CCc1ccc(O)c(C=O)c1C(=O)c1cc(C)cc2c1O[C@@H](C(C)(C)O)CO2 14721447 DYNXQZCWMXLZCW-OAQYLSRUSA-N 424.493 4.164 0 1 HIAF biogenic,in-vivo O=C(CCCCC(=O)Nc1ccc(Br)cc1C(=O)O)Nc1ccccc1 26638998 DOIBPHVUDBHDTL-UHFFFAOYSA-N 419.275 4.285 0 1 HIAF FC(F)(F)c1ccc2[nH]c(N3CCN(c4ccncc4C(F)(F)F)CC3)nc2c1 35860575 BBELHNPWONUBRZ-UHFFFAOYSA-N 415.341 4.322 0 1 HIAF CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NC)c(OC)c2)n1)c1ccccn1 36409496 UTUCERYKIWZQIY-KRWDZBQOSA-N 406.490 4.252 0 1 HIAF COc1cc2c(c(Cl)c1OC)CCN(C(=O)C(F)(F)F)C[C@@H]2c1ccccc1 45189756 CRXZIEGLQMWDQF-OAHLLOKOSA-N 413.823 4.436 0 1 HIAF CCNC(=O)Nc1cn2c(-c3ncc(C(C)C)cn3)cc(-c3cccnc3)cc2n1 45286272 PWXQYTWWLZHTSG-UHFFFAOYSA-N 401.474 4.118 0 1 HIAF COc1c(OCCCCN2CCCC2)cc2oc(-c3ccccc3)cc(=O)c2c1O 73240642 LEUMJIDRAMOIKJ-UHFFFAOYSA-N 409.482 4.429 0 1 HIAF CCOc1ccccc1-c1nc(C(=O)NCC(=O)OCCC2CCCCC2)cs1 82072398 GDKDMYZLPBYTPO-UHFFFAOYSA-N 416.543 4.452 0 1 HIAF CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181395 FJBGLMFLPXXTKV-SFHVURJKSA-N 410.953 4.454 0 1 HIAF CCCCCNc1ncnc2c1nc(-c1ccsc1)n2CCCN1CCCC1=O 82186486 UTWLJKNKMKHKBS-UHFFFAOYSA-N 412.563 4.169 0 1 HIAF c1ccc(CCn2c(-c3ccoc3)nc3c(NCc4cccs4)ncnc32)nc1 82190290 WDCXZFJKTFHZPH-UHFFFAOYSA-N 402.483 4.398 0 1 HIAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc2cc(F)cc(Cl)c2)c1 95921089 MZDDSPGKIFAODF-UTKZUKDTSA-N 405.945 4.325 0 1 HIAF in-vitro CCC(=O)[C@H]1[C@@H](c2ccc(I)c(Cl)c2)C[C@H]2CC[C@H]1N2C 100911914 RDOXVARXZHCHTF-RYPCIWMOSA-N 417.718 4.490 0 1 HIAF Cc1ccc(CC(=O)OC2=C(c3cc(C)ccc3C)C(=O)NC23CCC(=O)CC3)cc1 103171919 FNDSDRBUHMSEBI-UHFFFAOYSA-N 417.505 4.121 0 1 HIAF CCOC(=O)/C=C/c1ccc(OC)c(/C(=C/c2ccc(OC)cc2)C(=O)OCC)c1 103265878 GDINJCIATFQAEK-CFRAVMCGSA-N 410.466 4.384 0 1 HIAF COc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccc(N(C)C)cc4)c32)cc1 114320584 OOEICKNHMFWXRQ-UHFFFAOYSA-N 408.523 4.180 0 1 HIAF Cc1nnc([C@](C)(CC2CC2)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)o1 146372840 AMTWXRRTXOFLMD-IBGZPJMESA-N 424.423 4.037 0 1 HIAF COc1cncc(OC)c1[C@@H]1CCCC(=O)N1Cc1csc(-c2ccccc2)n1 167093748 YQAXQNBPZCOXOX-KRWDZBQOSA-N 409.511 4.476 0 1 HIAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCCCN(C)C)cc3)oc2c1 168889972 MNQLATJTVPNVQW-MRXNPFEDSA-N 420.513 4.076 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(Oc4cccnc4)c3)C2)cc1 169709279 VPOSIOBJGYHDJM-SBUREZEXSA-N 418.497 4.124 0 1 HIAF CC(C)OC(=O)N1CCC2(CC1)CC(CCCOc1ccc(C(N)=O)c(F)c1)C2 209670128 ZQHDNBQWZMDVFL-UHFFFAOYSA-N 406.498 4.121 0 1 HIAF CCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3Cl)c2C(N)=O)C1 210732777 MCOMNYOQSSUVJF-UHFFFAOYSA-N 413.330 4.176 0 1 HIAF Nc1nnc(Sc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(Cl)cc2)s1 299825628 CWMFAWUDJVMDPJ-UHFFFAOYSA-N 422.322 4.277 0 1 HIAF Cc1cccc(N(CCO)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)c1 299869562 UZLBPADXEZMDBH-UHFFFAOYSA-N 401.470 4.273 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c1 586996330 FOWZRKMPAPOQMH-CYBMUJFWSA-N 408.683 4.008 0 1 HIAF FC(F)(F)COc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)ccn1 587090954 CLRDXFACAZSFDZ-UHFFFAOYSA-N 407.577 4.377 0 1 HIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)c(C2CC2)n1 587231473 BBTYBBJQPLBWRF-UHFFFAOYSA-N 408.458 4.225 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)O2 587373957 UUOBBSPWQWSLPY-AWEZNQCLSA-N 401.677 4.175 0 1 HIAF CCOC(=O)COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587525985 XDNBOSGOIHNKRT-OAQYLSRUSA-N 410.466 4.222 0 1 HIAF COc1cccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 587582180 KMXMZLLFFJGPJK-QFIPXVFZSA-N 417.461 4.402 0 1 HIAF C[C@H](Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O 587596303 QRQVGPFVMPTROR-FDORUFNTSA-N 420.417 4.121 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726008 HIEPVAPSANIEEG-JEOXALJRSA-N 410.258 4.068 0 1 HIAF COc1ccc2c(c1OC)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587811634 WYGAMQOOHCMMQE-YBTHPKLGSA-N 406.295 4.329 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn2ccc(C)cc2n1 587863722 RQSCTNJLAHKVKD-UHFFFAOYSA-N 400.360 4.222 0 1 HIAF Cc1nccnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 653752872 HSWNMIYZOPIDJT-UHFFFAOYSA-N 412.449 4.105 0 1 HIAF COc1cc(Br)cnc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962999919 SLTSUACQUCYPFP-IBGZPJMESA-N 416.344 4.457 0 1 HIAF CCCOC(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 1857583480 LYWIXUKMLOMUPQ-GOSISDBHSA-N 414.458 4.116 0 1 HIAF O=C(Nc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1)C(=O)C2)c1ccccc1 1857638748 HXSIJHFGWIQULU-UHFFFAOYSA-N 404.853 4.317 0 1 HIAF COc1ccc2c(c1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC[C@@H]1COC(=O)N21 2356293888 LUFFJTUBHJDJBQ-MRXNPFEDSA-N 420.387 4.085 0 1 HIAF COc1ccc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 2356441496 VDHVMTAYSXIYTA-VQIMIIECSA-N 423.410 4.329 0 1 HIAF CC1=CC=C2C=CC(C)=C(C)C[C@@H](C)C(=O)[C@@H](C(=O)O)[C@@]3(C)OC(=C1O2)C(O)=C3O 2356617060 PBKVAXUNUBEUPO-KKAKJJSRSA-N 414.454 4.377 0 1 HIAF CC(=C[C@H](C)C[C@H](CO)C[C@H](C)C[C@H](C)[C@H](C)O)C=C(C[C@@H](C)C(=O)O)C(=O)O 2356872079 YOSAXDOXINGSJA-LBCBGTHCSA-N 412.567 4.122 0 1 HIAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccccc6F)cccc5c4CCN3C(=O)[C@@H]12 199738104 HKYMKXPQBPAZTL-CUCDBKBVSA-N 405.473 4.054 0 3 HIAF CC1(C)c2ccccc2N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]21c1ccccc1 5963999 MCCHWVUZEMUSLZ-UFPGJGBJSA-N 410.473 4.183 0 1 HIAF CCN(CC)CCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1 14944226 WLWCBZRYDSFGTG-UHFFFAOYSA-N 405.333 4.335 0 1 HIAF CC(C)c1csc(COc2ccnc(NC(=O)Cc3ccccc3C(=O)O)c2)n1 27423905 VUKVKUKCUZLHAR-UHFFFAOYSA-N 411.483 4.120 0 1 HIAF O=C(Nc1ccc(Cl)cc1O)c1ccc(C(=O)Nc2ccc(Cl)cc2O)nc1 28708341 UKXPNOARSZJGQG-UHFFFAOYSA-N 418.236 4.304 0 1 HIAF CCCCCNC(=O)[C@H]1CS[C@H](c2ccoc2)N1C(=O)c1ccccc1Cl 35196090 HSAHFEDCEHNNCY-YLJYHZDGSA-N 406.935 4.496 0 1 HIAF COc1cc(Nc2ncc3ccn(-c4cnccc4Cl)c3n2)cc(OC)c1OC 36348614 VIWLBRASFIPLFN-UHFFFAOYSA-N 411.849 4.238 0 1 HIAF CC(C)N(CC[C@@](CCN1CC2CCC(CC2)C1)(C(N)=O)c1ccccc1)C(C)C 39254140 JMBZCJXHKKWCIL-QGPIEZSZSA-N 413.650 4.431 0 1 HIAF O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCC1)c1ccc(F)c(Cl)c1 64237807 MSTDPKUXQYECFM-FQEVSTJZSA-N 410.942 4.375 0 1 HIAF O=C(O)c1cc(CN2CCc3ccccc3[C@H]2c2cccs2)c2ccccn2c1=O 66079421 HGZCPCAWEDGGMG-QFIPXVFZSA-N 416.502 4.207 0 1 HIAF CC[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82207704 ZCGIFIZYYFBOCV-LJQANCHMSA-N 420.557 4.264 0 1 HIAF Cc1nc(-c2ccc(CCN3CCN(c4cnc5ccccc5n4)CC3)cc2)cs1 98082830 MPLIGOISDAAVIE-UHFFFAOYSA-N 415.566 4.426 0 1 HIAF O=c1oc2cc(OCCCCN3CCN(c4ccccc4)CC3)ccc2c2c1CCC2 103268646 BTQSSFJHNIINST-UHFFFAOYSA-N 418.537 4.263 0 1 HIAF O=C(O)CCN1CCC2(CC1)COc1cc(OCc3ccccc3Cl)ccc12 113580974 AMMDLGSZWYTERF-UHFFFAOYSA-N 401.890 4.120 0 1 HIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@@]12C 169322161 WNENMRZSIGSSCW-NNTUHMFCSA-N 400.607 4.190 0 1 HIAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](C1CCCCC1)(N1CCC[C@@H](O)C1)C(=O)N2 219361409 CAAKCQJBYZDXBO-NTKDMRAZSA-N 409.530 4.143 0 1 HIAF COc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cn1 587030972 KJAKCGLPPLZDOP-QVASGMJFSA-N 401.517 4.093 0 1 HIAF Clc1c(Br)cnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 587041907 PINBJILZGZVQFJ-NWDGAFQWSA-N 409.740 4.320 0 1 HIAF CCN1C(=O)C[C@@H](c2nc3ccnc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl 587061649 PIWMHYBKGOZPSO-BZNIZROVSA-N 419.710 4.451 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(CN=O)cc4)nc3c2)cc1 587191219 WCRRGSKFLRNDQD-UHFFFAOYSA-N 422.466 4.306 0 1 HIAF Cc1ccnc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587329647 ACKMQLYBVAGJJU-LADGPHEKSA-N 420.440 4.381 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](CO)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 587345270 ILKQPJQBKZQMPP-UPVQGACJSA-N 403.409 4.259 0 1 HIAF Cc1cc(C)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587352826 YETIPJVKHCGGMC-GBXCKJPGSA-N 403.409 4.355 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)O2 587382237 KWSUYQUOFCNGMR-CSMYWGQOSA-N 410.461 4.049 0 1 HIAF C[C@@]1(c2cnc3[nH]cnc(Cl)c2-3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552208 OPCHFFNRMUQKNT-KKSFZXQISA-N 407.813 4.146 0 1 HIAF Nc1ccc(C2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587578157 MLXQFEJWWHTXLZ-HSZRJFAPSA-N 424.456 4.462 0 1 HIAF Cc1nnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 587588927 VJFRYMPYLWCEHD-DENIHFKCSA-N 400.390 4.454 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(Cl)s1 587615158 WSLWKLRYBWNUNZ-BEFAXECRSA-N 402.811 4.049 0 1 HIAF CCN(CC)c1ccc(-c2nn(CCN3CCCCC3)c(=O)c3ccccc23)c(O)c1 587666510 CAOGFKSUJZEFMU-UHFFFAOYSA-N 420.557 4.101 0 1 HIAF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)O 587800988 IIPHAEKPCVAFRP-MGNBDDOMSA-N 408.267 4.309 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(C)o2)N[C@H](C)Cc2cc(Br)c(F)cc21 587828457 NJXHTCYLLXJIRJ-WYRIXSBYSA-N 410.283 4.221 0 1 HIAF O=C(NCCCCC(=O)C(F)(F)F)c1nc(-c2nccs2)sc1C1CC1 653704201 OHRUWOKDVPCLPC-UHFFFAOYSA-N 403.451 4.176 0 1 HIAF CC(=O)c1ccc2c(c1)[C@H](c1cccn1C1CC1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962640880 XJGBSCYAGPNRSN-LEWJYISDSA-N 424.497 4.361 0 1 HIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2nc3ccc(F)cc3[nH]2)N1 963181728 HFKTZYHLEVAPHG-WFASDCNBSA-N 413.758 4.063 0 1 HIAF CC1=NN(c2ccc(OC(F)F)cc2)C(=O)[C@@H]1C(=O)Nc1cccc(C(C)(F)F)c1 1857604652 RKHTWHXFUQTRLX-INIZCTEOSA-N 423.366 4.377 0 1 HIAF Cc1cc(C)cc(Oc2cccc(-c3c(C)nnn3C3CCN(C(=N)N)CC3)c2)c1 1857608563 RCDBAQYMTQQLMV-UHFFFAOYSA-N 404.518 4.193 0 1 HIAF Cc1ccc(C)c(COc2cc(NC(=O)C3CCCCC3)ccc2S(N)(=O)=O)c1 1857763153 ZQRXTUSWBUKKGV-UHFFFAOYSA-N 416.543 4.049 0 1 HIAF CC1=C[C@H](CNC(=O)c2cnccn2)[C@@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356287097 ZBJPKZONOXOXDW-YQVWRLOYSA-N 421.520 4.319 0 1 HIAF CC(C)=CCc1c(-c2ccc(O)cc2O)oc2cc3c(cc2c1=O)C[C@@H](C(C)(C)O)O3 2356484341 QPHDNUUOPNWLFY-QFIPXVFZSA-N 422.477 4.454 0 1 HIAF O=C(NCC1CCCCC1)C1(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCNCC1 15924806 QWWQXOSOWSEZBY-HXUWFJFHSA-N 417.981 4.289 0 3 HIAF COC(=O)Cc1ccc(O[C@]2(C)CCN(Cc3ccccc3OC(F)F)C2)cc1 61928104 NVHLOLURKICJFW-JOCHJYFZSA-N 405.441 4.047 0 3 HIAF C[C@H](CNc1cccc(-c2occc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 3988150 BQYBTKTZDVRZNT-VLIAUNLRSA-N 414.889 4.422 0 1 HIAF COc1ccc(CNC(=O)COc2ccc3c(c2)C(=O)CC2(CCCCC2)O3)cc1 4879646 GELJOLDECYGCPY-UHFFFAOYSA-N 409.482 4.059 0 1 HIAF CCOc1cc(CC(=O)N[C@H](C)c2ccccc2N2CCCCC2)ccc1C(=O)O 27563344 VKVLNEJLRYKOGS-QGZVFWFLSA-N 410.514 4.194 0 1 HIAF CO[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc21 28563116 XCTRZHKSHWYFCX-IFMALSPDSA-N 407.466 4.401 0 1 HIAF CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)N(c3ccc(F)cc3)C2)cc1 29467604 KVAJWEXPGHVHJA-UHFFFAOYSA-N 407.466 4.187 0 1 HIAF O=C1N[C@@H](c2cc3ccccc3[nH]2)CN=C1c1c[nH]c2cc(Br)ccc12 40395108 SBYQHVZZSLQSHA-GOSISDBHSA-N 407.271 4.072 0 1 HIAF biogenic CC(C)Oc1nccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12 43018685 TYJSBSSFPIVEOM-UHFFFAOYSA-N 401.466 4.194 0 1 HIAF COc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2C[C@H]2CCCO2)cc1 82178231 UPYIXYOLOMHLSE-HXUWFJFHSA-N 415.497 4.293 0 1 HIAF CC(C)(CNCC(F)F)COc1cccc2ccc(-c3nnc4ccccn34)nc12 96175127 STCFUYVDTGGZPT-UHFFFAOYSA-N 411.456 4.204 0 1 HIAF Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1C 169293197 AMZDKPJJASZWNB-OOXVLWBOSA-N 412.489 4.113 0 1 HIAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCCO4)n3)c(Cl)cn2)CC1 169703726 IFQXFKKTDOBYBO-OWCLPIDISA-N 402.926 4.103 0 1 HIAF COc1ccc([C@H]2C[C@@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@@H]3CCCCN32)cc1O 238734926 SYMZKAVNWGDBHC-WQWBHRFSSA-N 423.509 4.421 0 1 HIAF CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@H]1c1ccc(Cl)cc1 254128150 IJAKDSXXAILQSP-HBMCJLEFSA-N 416.953 4.265 0 1 HIAF Nc1nccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3Cl)c3ccccc23)n1 299852362 QVVNEQBEKAKXOC-UHFFFAOYSA-N 419.293 4.224 0 1 HIAF Clc1c(Br)cnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 587041906 PINBJILZGZVQFJ-NEPJUHHUSA-N 409.740 4.320 0 1 HIAF N[C@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)cc1F 587142488 CGGPBIKTVHBRKC-GFCCVEGCSA-N 413.088 4.470 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3cc(F)cc(Br)c3)nc-2[nH]1 587160689 AUELQPDKXFAABB-UHFFFAOYSA-N 414.238 4.191 0 1 HIAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)C2 587246186 DKFNKCYDASXRBX-GOSISDBHSA-N 411.811 4.466 0 1 HIAF COc1cc(OC)c2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc2c1 587259032 VWFVWEYRQVWGBM-SFHVURJKSA-N 404.470 4.152 0 1 HIAF C[C@@H]1CCCCN1C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346564 RWUGPMHXDMPTMF-LIAVLPADSA-N 411.473 4.440 0 1 HIAF C[C@]1(c2ccccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349077 PGRVZOVRDGNSDF-ISKFKSNPSA-N 422.408 4.269 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cncc1Br)O2 587370278 DKCBWZWRSISEPF-ZDUSSCGKSA-N 412.081 4.204 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1c(-c3ccccc3)cc3ccccn13)O2 587393666 KAMFLPOTGBBTEV-RUZDIDTESA-N 412.445 4.442 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(Br)nc1Br)O2 587414222 ROCLRFCMGXGGEQ-SECBINFHSA-N 418.110 4.265 0 1 HIAF O=C(O)c1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589319 NZPWZWOUZFGGOS-GCJKJVERSA-N 401.374 4.275 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H]1CCCCN1 587590819 AWZCKCILIPQPQE-WRALFONMSA-N 401.462 4.391 0 1 HIAF CCOC(=O)C[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598826 VLESBJRAIPWPBC-RDGATRHJSA-N 418.445 4.289 0 1 HIAF CCOC(=O)/C=C/[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587796493 KQYYHKMHQIGJFW-SONCAPNISA-N 418.306 4.485 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(C(=O)O)ccc23)N1 587803984 QJVWPXOLVQWUDI-NIVTXAMTSA-N 403.251 4.391 0 1 HIAF COCCn1cc(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 653799560 DLTVETUQPDYWCT-UHFFFAOYSA-N 406.360 4.008 0 1 HIAF C=CC(=O)Nc1cc(N2C(=O)CCc3cnc4ccc(-n5cccn5)cc4c32)ccc1C 914431212 AANOKQLITQDWQD-UHFFFAOYSA-N 423.476 4.464 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc(-c3ccccc3)n(-c3ccccc3)n2)N1 962892488 FXTJEIWWPKZKCW-URXFXBBRSA-N 413.452 4.367 0 1 HIAF COC(=O)c1ccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)s1 962963633 ZVJQEECAJYOCBN-QGZVFWFLSA-N 411.445 4.294 0 1 HIAF CCCc1ccc([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963149743 QMVSCMMYXZDVGO-SJORKVTESA-N 402.516 4.431 0 1 HIAF O[C@@H]1CN(Cc2cccs2)[C@@H](c2ccc(Cl)cc2)C[C@H]1n1cc(C2CC2)nn1 61923954 POGGJSCXAAFIMY-NJDAHSKKSA-N 414.962 4.420 0 3 HIAF Cc1ccc(-c2nc([C@H]3CCCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)no2)cc1 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CCn1c(=O)n([C@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)c2ccccc21 71296879 LEDRNPXSCNLHTE-IBGZPJMESA-N 417.488 4.261 0 1 HIAF COc1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCc2ccccn2)cc1 82177791 YTRLVAGLRWIBIQ-UHFFFAOYSA-N 402.502 4.208 0 1 HIAF FC(F)(F)CN1C[C@H]2C(c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F 100087226 RFJGDFNFIPRZGO-RYUDHWBXSA-N 417.191 4.026 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCC2CC2)c1C 103229860 JDZJEUOIGPNXEZ-BWTSREIZSA-N 424.501 4.202 0 1 HIAF Cc1cc(-c2ccc(C(N)=O)cc2C)c2cccc(-n3cnc(-c4cnn(C)c4)c3)c2n1 145572744 XAFXANMVFAPYEK-UHFFFAOYSA-N 422.492 4.204 0 1 HIAF C[C@]12CCCO[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cc(F)cc(Cl)c3)ccc1O2 145623544 GSCCUTTXDDVRHC-JBACZVJFSA-N 402.853 4.016 0 1 HIAF C[C@@H](Oc1cc(-c2ccc(C(F)(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 147811312 ZBBLCGZROHBFJZ-IUODEOHRSA-N 401.388 4.219 0 1 HIAF COc1ccc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cc1O 167275529 WFXINYRGLNWWOZ-UHFFFAOYSA-N 403.438 4.201 0 1 HIAF O=S(=O)(Nc1ccccc1Cl)c1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1 586895667 SGBDQIUMDMEHDW-UHFFFAOYSA-N 413.886 4.176 0 1 HIAF N[C@H](N=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586966822 SITGOQHAQUHGPX-LJQANCHMSA-N 419.514 4.096 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cnc(Cl)[nH]c-3n1)N2 587033237 XQRDNCVVPXSCTQ-SMSHQHMSSA-N 406.924 4.085 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccnc(OC)c3[nH]2)c1 587049992 LJUXGLPZXVZZGC-FPLPWBNLSA-N 413.865 4.010 0 1 HIAF CCOC(=O)C[C@@H](C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107209 QRQJUVZXHMBTSY-GOSISDBHSA-N 403.434 4.046 0 1 HIAF O=C(O)CC[C@]1(c2ccc3c(c2)OCCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587536488 UQWCUHPDMAFIAF-RUZDIDTESA-N 422.477 4.452 0 1 HIAF CC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2C1 587582704 NOYITSPABJUFKK-RDGATRHJSA-N 415.445 4.002 0 1 HIAF CCOC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587598475 XUAVBUDUVLLQSS-XUZZJYLKSA-N 420.417 4.037 0 1 HIAF Cc1cccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587746247 ZIIAJUGBIJSRRL-CWTRNNRKSA-N 406.299 4.070 0 1 HIAF Cc1[nH]c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1CCC(=O)O 587788956 AUVZBPWLZVCFHA-UGZDLDLSSA-N 409.299 4.174 0 1 HIAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2sc(=O)oc12 587856347 LUOAOEWUYURTSJ-PWJLMRLQSA-N 424.291 4.388 0 1 HIAF COC(=O)c1cc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2cn1 587929696 OVBRYANTVDRFAY-UHFFFAOYSA-N 403.438 4.404 0 1 HIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587932178 VHAVTHNDTIEOLY-FZKQIMNGSA-N 410.417 4.310 0 1 HIAF CC(=O)C[C@@]1(C(F)(F)Br)c2ccsc2CCN1Cc1cccn1C 962402027 YOSFPPXAVQMBSQ-INIZCTEOSA-N 417.319 4.307 0 1 HIAF CCCN1[C@H](c2cn(CC(=O)OC)nc2-c2ccccc2)c2ccccc2C[C@H]1C 963236915 YFUOBXXSXLZSKA-CJAUYULYSA-N 403.526 4.469 0 1 HIAF CC1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)c4ccccc34)CC2)CC1 1857620167 AZONGVGCENLDCI-UHFFFAOYSA-N 406.979 4.378 0 1 HIAF CC(=O)OCC1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@H]1[C@@H]3OC(C)=O 2356594679 YJYOZRWDYXVENI-YIXAEEPASA-N 418.530 4.125 0 1 HIAF CN1[C@H]2C[C@H](OC(=O)C=Cc3ccccc3)C[C@H]1[C@@H](OC(=O)C=Cc1ccccc1)C2 2356711458 ZHJUOEJQLDHSBJ-ZJZGAYNASA-N 417.505 4.103 0 1 HIAF CC(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3 1377057 UMQAQOJCJWDFIY-UHFFFAOYSA-N 410.543 4.249 0 3 HIAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@@H]1c1ccc(F)cc1 95604019 YZCBBOHDSJVFDH-GOSISDBHSA-N 404.894 4.358 0 3 HIAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4050114 NSHPGHUVZPZKIL-KNAFXUBQSA-N 414.505 4.351 0 1 HIAF NC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)c2cc(-c3ccncc3)ccc2c1=O 5933696 HFUTZQRGENVBDQ-UHFFFAOYSA-N 410.260 4.458 0 1 HIAF CCCCc1nc(C)nc(O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 6142452 NCVNYTUPJZWCQG-UHFFFAOYSA-N 400.486 4.271 0 1 HIAF O=C(N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccc(Cl)cc1 13601545 OYFZQSPLHJMXQM-HXUWFJFHSA-N 407.832 4.025 0 1 HIAF Brc1cccc(Br)c1N(Cc1ccccc1)C1=NCCN1 28230184 ACUVXCQVIFCTKT-UHFFFAOYSA-N 409.125 4.177 0 1 HIAF CC(C)CCN(C(=O)c1cccnc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 28954044 HZONTUJRAFTUOR-HSZRJFAPSA-N 416.525 4.023 0 1 HIAF CC1=CC(=O)O/C1=C\C=C(/C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)[C@@H](O)O[C@@H](C[C@@]1(C)O)[C@H]23 40957727 CHBIIBKSFYKBAE-URIWGVFNSA-N 416.558 4.401 0 1 HIAF CCCCNc1ncc(C(=O)NCCOC)c(-c2ccc(-c3ccccc3)cc2)n1 82154184 JKWYZFCJTPKCLV-UHFFFAOYSA-N 404.514 4.399 0 1 HIAF CCc1nn(Cc2ccc(NC(=O)OCc3ccccc3)cc2)c(CC)c1CC(=O)O 113988112 VIKKUXBCCVXUSP-UHFFFAOYSA-N 421.497 4.432 0 1 HIAF CC(C)(C)NC(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 118393213 KGXJJZLPOKXQBF-QGZVFWFLSA-N 414.460 4.269 0 1 HIAF C[C@@H](Oc1cncc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1)C(F)(F)F 204779709 DGBIUYHHQKNLEE-MRVPVSSYSA-N 406.393 4.055 0 1 HIAF C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl 219160829 RHOHIFFGKBYPCB-NSHDSACASA-N 421.810 4.057 0 1 HIAF O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1cccc2cccnc12 220310965 FHZKYXNABGEJIH-UHFFFAOYSA-N 424.507 4.023 0 1 HIAF Nc1ncnn2c1c(-c1ccc(Oc3ccccc3)cc1)nc2[C@H]1CC[C@H](CO)CC1 261187247 XVMYWCOUGUFFSM-SAABIXHNSA-N 415.497 4.432 0 1 HIAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586940880 IXPDEOQRGXZOOQ-SREVYHEPSA-N 413.396 4.120 0 1 HIAF CCOc1cc(/C=C\c2nc3ccc(C(=N)N)cc3[nH]2)cc(Br)c1OC 586976535 ASHIQLVCVXDTBP-DAXSKMNVSA-N 415.291 4.187 0 1 HIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(Br)ccnc3[nH]2)cs1 587019244 KNTDTMJCIUTXNL-UHFFFAOYSA-N 410.297 4.115 0 1 HIAF N=c1[nH]cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc-2[nH]1 587065011 YKXWRLRVRALWGW-UHFFFAOYSA-N 404.861 4.071 0 1 HIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(=N)N)cc2[nH]1)c1cccc(Cl)c1 587071129 JYQATUOVNXWGBS-MRXNPFEDSA-N 413.909 4.309 0 1 HIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Br)nc3[nH]2)c1 587200919 RFIKHAMPAWCPKQ-UHFFFAOYSA-N 416.279 4.237 0 1 HIAF NC(=O)Nc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1 587243080 DODTTWBFEMQMQQ-UHFFFAOYSA-N 410.069 4.246 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)([C@H](C)NC(=O)OC(C)(C)C)O2 587388065 VHCAUSABVWBHRT-FYSMJZIKSA-N 410.514 4.437 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1N1C[C@H](C)O[C@H](C)C1)[C@@H](C2)C3=O 587422188 XJPKKVUSKGWCAM-RZZVDGFSSA-N 413.901 4.451 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)c(C(=O)O)c1)[C@@H](C2)C3=O 587443808 PVNDRUYMWQMSGA-CYFREDJKSA-N 416.429 4.461 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCC(O)CC3)nc1Cl)CC2=O 587496308 VWWQCUUWPSGREE-INIZCTEOSA-N 422.934 4.122 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1-c1ccc(F)cc1 587569956 JPAHSNHHHQSBBP-NFBKMPQASA-N 402.381 4.420 0 1 HIAF CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587579189 CIOQXUHQEOIWHM-FXAWDEMLSA-N 408.410 4.075 0 1 HIAF Cc1[nH]nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Br 587684651 ZKIZEDUCVBNFRM-IYQDAUBNSA-N 403.093 4.006 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2F)(C(F)(F)F)N1 587708803 DQNKMEIODCUMHO-AYVTZFPOSA-N 407.180 4.462 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(F)CN(C(=O)OC(C)(C)C)C2)N1 587721640 PWHHZDCSYCVIHW-MEBBXXQBSA-N 417.294 4.123 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(F)cc2)N1 587727991 CLWZAPFJUHJVSR-JEOXALJRSA-N 410.258 4.370 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2cnn(C)c2)N1 587733628 RKAOETYMERITOE-MPBGBICISA-N 418.285 4.287 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)cc3c2N(C)CCC3)N1 587768015 SMXHBTLQXXVHSV-MPBGBICISA-N 417.322 4.407 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(N)=S)c2)N1 587847017 VWVBXZAAUMIQGR-MLCYQJTMSA-N 408.340 4.041 0 1 HIAF COC(=O)c1ccsc1[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962625212 BFMXRCXRLZLHCO-DENIHFKCSA-N 404.535 4.371 0 1 HIAF C[C@H](N)C[C@@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949879 DBYGKBUONKYYMM-AOMKIAJQSA-N 404.476 4.338 0 1 HIAF COC(=O)c1cc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cn1C 963816461 BNQVZVKZSLDUQX-HSZRJFAPSA-N 415.493 4.107 0 1 HIAF O=C(CCCc1cn(CCN2CCOCC2)c2ccccc12)NC1CCCCCC1 1772619033 ASLPFRBYSSYTGN-UHFFFAOYSA-N 411.590 4.135 0 1 HIAF Cc1ccc(CC(=O)Nc2ccc(CC3=CC(=O)O/C3=C/Br)cc2)cc1 1857635141 JLFDQUKTEPJCFA-CPNJWEJPSA-N 412.283 4.438 0 1 HIAF Cn1cc(-c2cccc(NS(C)(=O)=O)c2)c2cc(-c3ccccc3)ccc2c1=O 1857756574 PSPDBKYBDYJXRN-UHFFFAOYSA-N 404.491 4.244 0 1 HIAF COc1ccc(-c2nn(-c3cc(OC)c(OC)c(OC)c3)c3ncccc23)cc1OC 1911584047 FJPRBCSVCVNUCD-UHFFFAOYSA-N 421.453 4.131 0 1 HIAF CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC(=O)CSc2ccncc2)C1 12314058 SDDLASZFYFMFAI-LJQANCHMSA-N 410.518 4.328 0 3 HIAF O=C1Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2Sc2ccccc21 6750044 WMACEYVZLICGJH-UHFFFAOYSA-N 415.518 4.366 0 1 HIAF CCCC[C@@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccccc1Cl 26009231 GQUWFRJNNINRQS-NHCUHLMSSA-N 403.885 4.036 0 1 HIAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)c1cccc(C(F)(F)F)c1 29395582 ALOFPCCPHHKNFS-QWXXHLNBSA-N 413.436 4.321 0 1 HIAF Cc1ccc(S(=O)(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1 35190800 JMZDFJGVZJQFER-UHFFFAOYSA-N 403.935 4.367 0 1 HIAF NCC(=O)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 40394798 QRCGKZHMDVRFJM-PFAFFICPSA-N 404.554 4.073 0 1 HIAF CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)CC[C@H](OC(C)=O)[C@@]12C 59779218 ZJOXMWJKQWLNFX-YICAWKJMSA-N 416.514 4.194 0 1 HIAF COc1ccc(CCc2cn(Cc3ccccc3)c3nc(N)nc(C)c23)c(OC)c1 72177341 CEFFHAVELVVIDH-UHFFFAOYSA-N 402.498 4.173 0 1 HIAF Fc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)nc1 84602634 APNKIFBEFRZJNR-UHFFFAOYSA-N 417.488 4.057 0 1 HIAF O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)c1ccc(Br)cc1 95590776 ZMHUAURSSPWVGN-UHFFFAOYSA-N 410.231 4.160 0 1 HIAF COC(=O)N1N=C(c2ccc(Cl)cc2)N(C(=O)OC)N=C1c1ccc(Cl)cc1 96937994 PQLJXDUEPYIJAC-UHFFFAOYSA-N 421.240 4.167 0 1 HIAF COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)nc(Cl)c2)C=C1C 103277995 LUIBXSKYPQAXSP-NRFANRHFSA-N 419.308 4.481 0 1 HIAF CC[C@H](C)C(=O)O[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 105489420 PCZOHLXUXFIOCF-FUWMGHAFSA-N 404.547 4.196 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccnc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239164 ISOYEOYVERUFKT-FYYVMTAXSA-N 406.914 4.166 0 1 HIAF O=C(O)[C@@H]1C[C@H]2C=CC[C@@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359463 YQZLKTKHWYCFGC-LNFCKTQSSA-N 408.425 4.316 0 1 HIAF COC(=O)C[C@@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381451 JCTBSDOTQMSJAP-HXUWFJFHSA-N 407.388 4.106 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(N)c(Br)c31)CC2=O 587458833 LRGQCXUJIAKQBY-FQEVSTJZSA-N 402.288 4.496 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](N=O)C(=O)Nc1ccc(C)cc1C)CC2=O 587468324 FBZIKPCBWIHELI-JTHBVZDNSA-N 410.470 4.459 0 1 HIAF CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587517767 UVOZMPVQOTUPSP-MZNJEOGPSA-N 415.530 4.315 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)c1cccnc1 587587905 OOYUKVWHXQJPMH-RCZVLFRGSA-N 410.429 4.282 0 1 HIAF O=C(c1ccccn1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622181 ZWTUKSAOYHQJJB-UHFFFAOYSA-N 409.165 4.452 0 1 HIAF Cc1nn(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Br 587681224 RFBHYXMRZQYPBH-JKYUHCHBSA-N 417.120 4.016 0 1 HIAF Cc1[nH]nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Br 587684652 ZKIZEDUCVBNFRM-UANNBLPKSA-N 403.093 4.006 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)ncnc2Cl)N1 587704545 JHBAUAMNZWUTLA-NZFNHWASSA-N 405.098 4.483 0 1 HIAF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](N=O)C2 587739112 FQYASICRKQGASB-IRKUAANASA-N 405.267 4.066 0 1 HIAF Cc1nn(-c2ccncc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587765825 UJAOVYXKFBQPOD-WLRWDXFRSA-N 401.283 4.101 0 1 HIAF COc1ccc2[nH]c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587778222 LRSNDUDZAMNPDS-APBUJDDRSA-N 417.278 4.062 0 1 HIAF CCOC(=O)COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587790745 GEMVSTDRCQVNQQ-ODXCJYRJSA-N 422.294 4.154 0 1 HIAF COC(=O)c1cccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587800128 AFJMDINFUSISSL-GIGQVBGESA-N 417.278 4.480 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)cs2)N1 587853054 OQLMCZGMBLDFLE-SREIQFSDSA-N 406.118 4.431 0 1 HIAF CCCCNC(=O)c1cccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873797 NAOJZDISGPBDHJ-UHFFFAOYSA-N 409.417 4.044 0 1 HIAF COc1ccccc1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1 653743792 VEHKQZVWCRAZGV-UHFFFAOYSA-N 407.602 4.162 0 1 HIAF COc1cccc2c1OCC[C@]21c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962636722 OHZLYBVHRTYTCM-CUNXSJBXSA-N 412.533 4.468 0 1 HIAF COc1cccc2cc3c(nc12)[C@H](c1cc(=O)c(OCc2ccccc2)co1)NCC3 963060319 SFISHOALAPJHLI-VWLOTQADSA-N 414.461 4.011 0 1 HIAF CCOC(=O)[C@H](CC)[C@@]1(c2ccccc2)NCCc2cc3cccc(OC)c3nc21 963061844 VRKJFZFBAMPBDM-NBGIEHNGSA-N 404.510 4.222 0 1 HIAF CC(C)(CN1CCCC1)[C@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963190462 XTBVYPVWJDPJKD-HOTGVXAUSA-N 404.860 4.121 0 1 HIAF CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1 1772599907 WEQRXDXDFLBIDK-UHFFFAOYSA-N 400.442 4.057 0 1 HIAF NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCC(F)(F)CC3)cc2n1 1857606184 OKLWOJCIBZHKCT-UHFFFAOYSA-N 405.445 4.432 0 1 HIAF CN(C)CCNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 1857614609 RMWFJKNGWMFEFN-UHFFFAOYSA-N 403.526 4.343 0 1 HIAF CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(SCCO)nc12 1857619953 LWDSOBAZNCIJFB-UHFFFAOYSA-N 420.542 4.235 0 1 HIAF COc1cccc2nc(C[C@@H]3CN(CCCc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c12 2356305786 FXQJUZAUWDXPNH-WOJBJXKFSA-N 421.541 4.160 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C(C(=O)O)[C@@H](C[C@H](OC(C)=O)[C@H]12)C3 2356424039 ONGLJJBMKPIZJW-VFCVZYGMSA-N 418.530 4.125 0 1 HIAF CC[C@H](O)CC[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 2356677777 IEUNGVZFLKERGL-ZKXHUTNQSA-N 422.650 4.135 0 1 HIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(O)cccc2[C@@H]1CN1CCCC1 3795699 WRQRXSLULFCZOJ-FQEVSTJZSA-N 419.352 4.463 0 1 HIAF investigational Clc1ccccc1C(n1cc(Br)cn1)n1cc(Br)cn1 5888304 UIRHULWDWNPBPJ-UHFFFAOYSA-N 416.504 4.353 0 1 HIAF Fc1ccc(-c2c(-c3ccncc3)n(CCN3CCOCC3)c3cccnc23)cc1 12365501 POSGPOILCJXRFO-UHFFFAOYSA-N 402.473 4.237 0 1 HIAF CCCn1c(=O)c2[nH]c(/C=C/c3ccc(Cl)c(Cl)c3)nc2n(CCC)c1=O 12405394 UXGPRYZDDSJSDE-SOFGYWHQSA-N 407.301 4.184 0 1 HIAF Oc1nc2c(c3nc(-c4ccccc4F)cn13)CN(CCCc1ccccc1)CC2 13492035 IICIJDZEVDHRGB-UHFFFAOYSA-N 402.473 4.232 0 1 HIAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)[C@H](c1ccccc1)CC2 14966595 UOYVKYJWAXJTTE-NRFANRHFSA-N 417.557 4.401 0 1 HIAF in-vivo COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(Cl)c(O)c(C)c2O)c(C)c1O 15203262 JRRDMTGUWFCEHF-UHFFFAOYSA-N 408.834 4.005 0 1 HIAF biogenic N=C(N)Nc1ccc(C[C@H](N)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 28869489 KBAIUJQIGXFZDI-HXUWFJFHSA-N 410.414 4.170 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CNc2ncc(Br)s2)cc1 29037202 VYYMOFXSMFKXOG-UHFFFAOYSA-N 403.305 4.352 0 1 HIAF O=C(c1ccc(Cl)cc1)N1CCN(CCCOc2ccc3ncccc3c2)CC1 43075067 OIBYGWIFWKSTGI-UHFFFAOYSA-N 409.917 4.115 0 1 HIAF O=C(OCc1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72185730 QICIFQGAKTXHKJ-JOCHJYFZSA-N 422.916 4.174 0 1 HIAF Clc1cccc(CNc2ncnc3c2nc(C2CC2)n3CCN2CCCCC2)c1 82181387 OXDGESIJIDWKIT-UHFFFAOYSA-N 410.953 4.455 0 1 HIAF COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)Nc5ccccc5F)C[C@@H]3N4)cc2)c1 100107601 PDIHLXLTWKYKAJ-BKFWDETESA-N 417.484 4.473 0 1 HIAF CC[C@H](C)C(=O)O[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 100732355 PCZOHLXUXFIOCF-LFFUZVEHSA-N 404.547 4.196 0 1 HIAF CO[C@H](C)CN(C)c1ccncc1Nc1ncc2ccc(-c3c(F)cccc3F)nn12 142922453 QNBBVZPCDPPSPO-CQSZACIVSA-N 424.455 4.284 0 1 HIAF C[C@]1(c2cc(N[C@H]3CCc4cc(Cl)cnc43)ccc2F)N=C(N)COCC1(F)F 169702884 MRMHPBKPLSGSSO-QFBILLFUSA-N 424.854 4.211 0 1 HIAF CCCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C 201104832 IRGFZOISHZVQAW-HWHXTQLESA-N 412.574 4.014 0 1 HIAF CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)N[C@H](SCc3ccccc3)N[C@@H]2C)cc1 209106215 BVDXXEPILRZNCN-NIJIEXERSA-N 411.571 4.080 0 1 HIAF CNC(=O)N1C[C@H]2CC(c3cc4c(-c5cc(F)ccc5OC)c(F)cnc4[nH]3)=C[C@H]2C1 226059432 HHYFMYBAZZMYSH-UONOGXRCSA-N 424.451 4.191 0 1 HIAF COc1cc(/C=C\c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(Cl)c1OCC(C)C 587046810 MOLZIFFKLUOJGC-PLNGDYQASA-N 408.289 4.238 0 1 HIAF Cn1nc(-c2nc3cc(CO)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587131101 XNXKUUAXFWQMEG-UHFFFAOYSA-N 421.407 4.272 0 1 HIAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1 587153955 GCQACPALGILSGO-UHFFFAOYSA-N 403.385 4.448 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2ccnc(Cl)c2[nH]1)c1ccc(F)cc1 587171261 NPTNXWKATLQYBE-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(CC(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 587328643 JSSKUTSGDJHATK-SFHVURJKSA-N 409.379 4.287 0 1 HIAF CCOC(=O)C[C@@]1(c2ccoc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358230 WEYUGYRESZPXDO-GGAORHGYSA-N 410.397 4.332 0 1 HIAF COc1cccc(C(=O)[C@]2(c3cccc(OC)c3)CC(=O)c3cc(C)cc(N)c3O2)c1 587401294 VVZQFDYNXPHITH-RUZDIDTESA-N 417.461 4.338 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCC4)O2 587409327 RNBDLNDXQUUFBF-DLUDVSRJSA-N 419.477 4.364 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(=O)CCC(=O)O)CC2=O 587467547 ATXJUFLGKXKLKD-HSZRJFAPSA-N 411.454 4.029 0 1 HIAF O=C(O)c1[nH]c2ccc(F)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567240 CHDRFLZLWBSUCL-XMSQKQJNSA-N 419.364 4.414 0 1 HIAF COc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 587580107 HEBQRUKMLVXVPH-QPPBQGQZSA-N 414.417 4.289 0 1 HIAF COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587590327 BZHBQRLZHVTQDM-QPPBQGQZSA-N 406.434 4.372 0 1 HIAF COC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1F 587622277 HZFSESHUOOACFE-UHFFFAOYSA-N 402.223 4.328 0 1 HIAF CCn1ncc(Br)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587676834 GFJBNTZEYSMTSQ-RMLUDKJBSA-N 417.120 4.191 0 1 HIAF COc1cc(OC)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805800 HVKABPFJFXHECA-BIBXISHDSA-N 424.310 4.412 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2C(=O)CC(C)(C)CC2=O)N1 587822961 NUKNILZAOQFCIP-BIBXISHDSA-N 410.327 4.302 0 1 HIAF COc1cc(C(C)=O)c(OC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587944135 YSEBWTDZSWNRMT-UHFFFAOYSA-N 415.392 4.332 0 1 HIAF CCC(=O)N[C@@H](C)c1ccc(CN2Cc3ccc(OCC4CC4)cc3[C@H](O)C2)cc1 1772605070 DSMCYKBYZXNGRO-BXKMTCNYSA-N 408.542 4.112 0 1 HIAF O=C(c1ccc(F)cc1)N1CCc2cc(NS(=O)(=O)C3CCCCC3)ccc21 1857556196 MXEMOHPHTXJVPG-UHFFFAOYSA-N 402.491 4.103 0 1 HIAF Cc1ccc(C(=O)Nc2nc3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)cc1 1857578164 KDZPCGSFPKMQEL-UHFFFAOYSA-N 410.886 4.365 0 1 HIAF CC(C)=CCc1ccc(O)c2c1C(=O)c1c(c(C)cc3c1O[C@H](C(C)(C)O)CO3)OC2 2356853255 REUMTLWYRYSHJD-IBGZPJMESA-N 424.493 4.243 0 1 HIAF CN(CCCNc1nc2ccccc2c2nc(-c3cccnc3)nn12)Cc1ccccc1 5055231 GHMPOHJWJRBJRK-UHFFFAOYSA-N 423.524 4.274 0 1 HIAF CN1CCc2cc(Cl)c(O)cc2[C@H](c2ccc(I)cc2)C1 5966847 SFEBAZSWFKLMDP-HNNXBMFYSA-N 413.686 4.270 0 1 HIAF COc1c(C(=O)NC[C@@H]2CCCN2C2CCC2)cc(Br)c2ccccc12 13862873 AFSSAOBKLVREBP-HNNXBMFYSA-N 417.347 4.358 0 1 HIAF CCCCS(=O)(=O)c1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 26732720 JNWLUSYEQUSWDC-UHFFFAOYSA-N 401.406 4.237 0 1 HIAF CCCOc1nc(N[C@H](C)[C@H](O)c2ccccc2)c2cnn(-c3ccccc3)c2n1 26981859 IEVBPGAANNEBGZ-UZLBHIALSA-N 403.486 4.138 0 1 HIAF CSc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@H]2O)cc1 27733884 MLSZXJCNMSDLMX-OALUTQOASA-N 423.003 4.164 0 1 HIAF O=C(CCCCCCc1ccccc1)c1ncc(-c2cccc(-c3nnn[nH]3)n2)o1 29135992 DJSDSCYFHLFABO-UHFFFAOYSA-N 402.458 4.293 0 1 HIAF COc1ccc2c(OCc3nnc4ccc(-c5cc(C)cs5)nn34)ccnc2c1 62154039 BFCPIHBZBBKELU-UHFFFAOYSA-N 403.467 4.297 0 1 HIAF COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N(C)C3CCCCC3)n2)cc1 82066492 AGUQZUJGNWCPNM-IBGZPJMESA-N 413.522 4.032 0 1 HIAF C[C@H](C(N)=O)N1CC[C@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 100803667 HAFQUPCULBPLGU-LQRBJPDYSA-N 422.544 4.337 0 1 HIAF CC(=O)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 101597570 QZOOKXDESAXLGB-ROUUACIJSA-N 408.527 4.115 0 1 HIAF COc1ccc(CCC(=O)c2c(OC)cc(O)c(Cc3ccccc3O)c2O)cc1 204901759 LNTWPEWPHRJEFE-UHFFFAOYSA-N 408.450 4.227 0 1 HIAF COc1ccc(-c2cc(C(N)=O)nc3cc([C@@H](C)Cc4cnc(C#N)nc4)ccc23)cc1 221625269 FNLRSUUOKIOXRC-HNNXBMFYSA-N 423.476 4.017 0 1 HIAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(-c3ccccc3)c2)nc1 222625512 ZESRGCISGRSKHQ-IRLDBZIGSA-N 424.504 4.489 0 1 HIAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 299887527 ZAHNDAGNFYIZGM-VRKILMONSA-N 404.595 4.166 0 1 HIAF O=C(c1ccccc1)c1c(C(F)(F)F)[n+](=O)c2cc(C(F)(F)F)ccc2n1O 377799884 LSMVVHVKJGEMLG-UHFFFAOYSA-N 403.258 4.062 0 1 HIAF COc1cc(Br)c([C@H](N)c2nc3ccc(OC(C)C)cc3[nH]2)cc1OC 586974096 BGBRAXUFIXUKMB-SFHVURJKSA-N 420.307 4.178 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587148683 DFWCDZBIWZSXKR-NRFANRHFSA-N 424.501 4.154 0 1 HIAF O=C1C[C@@H](c2nc3cccc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587149049 LPYNHSILODKNGV-LLVKDONJSA-N 406.230 4.120 0 1 HIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(Br)nc3[nH]2)c1 587241262 YQRDDGNOTGKZLX-UHFFFAOYSA-N 405.252 4.440 0 1 HIAF Cc1cc(C)c2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352800 XSVQQTQWZHBYMY-XUZZJYLKSA-N 403.409 4.355 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(OC[C@@H]3CO3)cc1)O2 587415069 YGPXACHIDDUKIE-NLFFAJNJSA-N 401.462 4.264 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)c4ccccc4)cc1)[C@@H](C2)C3=O 587438123 CNYIBWRZQYHQGR-CPJSRVTESA-N 400.430 4.446 0 1 HIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4ccc(C(=O)O)cc41)[C@@H](C2)C3=O 587452863 MDNQMMQVUJVDIC-XDHUDOTRSA-N 400.386 4.190 0 1 HIAF COc1ccc(OC)c([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521219 BMEKSDYRRGEUNL-DEOSSOPVSA-N 410.466 4.308 0 1 HIAF C[C@@]1(c2ccc(Br)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544388 KMWHIHBRFSPJGQ-XLIONFOSSA-N 412.239 4.427 0 1 HIAF Nc1nc2cc(Cl)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 587553272 VDOBIWBJHYCVRE-OXJNMPFZSA-N 408.797 4.472 0 1 HIAF COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587578817 RWEZONQSOJOKRR-XUZZJYLKSA-N 414.417 4.289 0 1 HIAF C[C@H](C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O 587601983 GNCLJDLSWYXQOT-VNOPPTIDSA-N 404.418 4.360 0 1 HIAF C[C@@H](Oc1ccccc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656517 MHLTYZXIUPFYLO-CQSZACIVSA-N 406.388 4.449 0 1 HIAF Cc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587656624 OHHWELBKZRISJL-UHFFFAOYSA-N 406.388 4.369 0 1 HIAF Cc1ccccc1NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657097 UROQGPBIQKNJQZ-UHFFFAOYSA-N 405.404 4.402 0 1 HIAF COc1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587743022 MZPAPHDZMKMOEH-ODXCJYRJSA-N 421.310 4.375 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cn3cccn3)c2)N1 587755480 AAGQFBWLJDWJJH-ZUOKHONESA-N 400.295 4.457 0 1 HIAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587785638 AHHHOCVJLPPAJB-UHFFFAOYSA-N 417.259 4.156 0 1 HIAF CCOC(=O)c1c(C)[nH]c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587788913 AOYQXVRRPBIVKH-NIVTXAMTSA-N 409.299 4.333 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc(CCO)cc1 587862793 JVAQWMQGYCVWRV-UHFFFAOYSA-N 405.376 4.193 0 1 HIAF C[C@H]1CCc2cc(-c3ccc(NC4CC4)nn3)ccc2N1C(=O)c1ccc(O)cc1O 653678786 WILCKYMTSIVKIZ-AWEZNQCLSA-N 416.481 4.111 0 1 HIAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(C)cc3)nc12 653746388 FCKSNYURLYLZSG-UHFFFAOYSA-N 421.545 4.119 0 1 HIAF COc1ccc2c(c1OC)[C@@](C)(CSc1ccccc1C(=O)O)N(C)[C@H](C)C2 962619817 HFFGYESSUBYEJA-JLCFBVMHSA-N 401.528 4.286 0 1 HIAF O=C(O)c1cccc2c1CCN[C@]2(Cc1ccccc1Br)C(F)(F)F 963133777 SNEYTBQPERKLOQ-KRWDZBQOSA-N 414.221 4.293 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1nc2c(C)cccn2c1Br 963269923 MTBQVFDFVNGZSO-HNNXBMFYSA-N 406.711 4.302 0 1 HIAF COc1cc(-c2ccc([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2)ccc1F 963511000 RMKCLYMQPHFQJE-CVDCTZTESA-N 407.441 4.204 0 1 HIAF Cc1c(C(=O)NCc2ccccn2)sc(=O)n1Cc1ccc(-c2ccccc2)cc1 61928387 AFZKJWHIUXOQDM-UHFFFAOYSA-N 415.518 4.259 0 3 HIAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 767669 FUYIUFXFFSABAU-UPVQGACJSA-N 415.493 4.076 0 1 HIAF O=S(=O)(/C=C/C(=C/c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 1617490 ORYDCMXESDNDEZ-PYILIBOYSA-N 410.516 4.489 0 1 HIAF CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@H](CCC(N)=O)C(=O)O 5923826 FEFAAEYMDHYUFL-LVTNFWOSSA-N 406.567 4.411 0 1 HIAF CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 13672930 WHCGSMDYCJVVTG-UHFFFAOYSA-N 423.966 4.008 0 1 HIAF O=c1[nH]c2ccc(-n3ccnn3)cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1 34804255 BVMPOFIIMLEMOV-UHFFFAOYSA-N 424.508 4.243 0 1 HIAF C[C@@H]1[C@H](c2ccc(OCC(F)(F)F)nc2)OC(=S)N1C(=O)NC1CCCCC1 35879115 SWJOBRIAEDWPTC-IAQYHMDHSA-N 417.453 4.112 0 1 HIAF C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCC(O)(C3CC3)CC2)cc1)C(F)(F)F 40429575 SWXZIRVTPISJMP-CKHPTIKVSA-N 411.464 4.145 0 1 HIAF in-vitro CC(=O)[C@H]1[C@H](CCOC(N)=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 40956421 DFWIBBDFXAKZCL-BJJJIHDISA-N 405.579 4.307 0 1 HIAF CCCCNC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1 82132440 DLHZHYXQCVSYCS-UHFFFAOYSA-N 404.470 4.014 0 1 HIAF COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCc3ccc(C)cc3)n2)cc1 82195669 FUMLFCBWABCIPK-OAQYLSRUSA-N 407.539 4.412 0 1 HIAF CC1(C)CC(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)CC(C)(C)N1 98084137 HLPXLTCRPSYKFL-BBITVKMKSA-N 414.549 4.188 0 1 HIAF COc1cc(C(=O)c2cc3cc(NC(C)=O)cc(OC)c3s2)cc(OC)c1OC 103233931 QVGKRFMQDZPTBA-UHFFFAOYSA-N 415.467 4.125 0 1 HIAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H]1c1cccc(Cl)c1 103341399 CGGWAIBHRMCQBK-QDFNHPSFSA-N 405.878 4.310 0 1 HIAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@H]4CCCOC4)n3)c(Cl)cn2)CC1 169703730 XJYNNRFFUUQEFR-ZACQAIPSSA-N 416.953 4.351 0 1 HIAF Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)c(C)c1CC(=O)O 169704018 HQNTXTXBSQBPOF-UHFFFAOYSA-N 415.852 4.220 0 1 HIAF CC(=O)Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12 205637065 CTTFXHOOQVEMQT-UHFFFAOYSA-N 409.389 4.013 0 1 HIAF O=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCC2)nn1Cc1ccccc1 299825041 VMOSPBUWZZRALU-UHFFFAOYSA-N 407.477 4.422 0 1 HIAF Cc1cc(C)nc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2c(C)noc2-c2ccccc2)n1 473180319 LJMLCMQJTFXPIW-XUVXKRRUSA-N 418.497 4.129 0 1 HIAF COc1cc(-c2nc3ccc(CCO)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144442 XTKTVFQHMXRWNU-UHFFFAOYSA-N 406.413 4.278 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)O2 587378808 QLRMGSCXCWTPKW-JOCHJYFZSA-N 410.857 4.360 0 1 HIAF COc1cccc(N(C(C)=O)c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)c1 587414308 UEXHSXLIQHCQFH-HXUWFJFHSA-N 423.494 4.433 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(Cc1cc(F)c(F)cc1F)CC2=O 587465368 HXZILRVQUHPDNX-JOCHJYFZSA-N 422.399 4.272 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)c2c(C)ccc(OCC(=O)O)c21 587481522 NAHJVOXKIWYPDV-BSEYFRJRSA-N 410.466 4.484 0 1 HIAF O=C1CC2(CCN([C@H](C(=O)O)c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587514828 POOBNYMGENDSFM-QFIPXVFZSA-N 405.494 4.191 0 1 HIAF C[C@@]1(c2c(F)ccc(F)c2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557996 UKULSXOPYXIMDE-AVRDEDQJSA-N 412.344 4.246 0 1 HIAF O=C(CCc1ccccc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657172 XSMRGQQAKRDDAC-UHFFFAOYSA-N 406.388 4.320 0 1 HIAF CCOc1ccc(-c2nn([C@@H]3CCCC[C@H]3O)c(=O)c3ccccc23)cc1OCC 587670474 ZBNJSICNQBXIPH-WOJBJXKFSA-N 408.498 4.337 0 1 HIAF Cc1nn(C)c2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 587701800 CNBWQVORKPBKOY-VPTHRUTESA-N 423.717 4.455 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(N3CCOCC3)c2)N1 587720776 UAUCWLPCSKJYLT-ODXCJYRJSA-N 423.301 4.188 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)OCc2ccccc2)N1 587754870 LJYZTIRTRCMYEY-LRDDRELGSA-N 407.283 4.090 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587754914 FLFFYUGIUKQVLG-BBATYDOGSA-N 409.347 4.135 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Cn2cccn2)N1 587755485 ACKNMIJDNPSJRE-RBZFPXEDSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C)N(C(=O)OC(C)(C)C)C2)N1 587761933 RHJPNRKKWMJXRX-HNYWDRBLSA-N 413.331 4.347 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnccn2)(c2ccccc2)N1 587774101 LJTBHHZHHMRYBK-QKKBWIMNSA-N 412.306 4.399 0 1 HIAF C[C@H](Oc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1)C(=O)O 587790241 GTRDDBAWGXFZQZ-JGRMJRGVSA-N 422.294 4.238 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCC(=O)O)cc2)N1 587796516 TZZLAZCFNOCRSW-ODXCJYRJSA-N 422.294 4.239 0 1 HIAF COc1cc(OC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587811336 ZADMJNORKYVJNB-DGIBIBHMSA-N 410.283 4.238 0 1 HIAF CCSc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587847306 TZTNLTDLAOGLPR-APBUJDDRSA-N 421.335 4.430 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587847527 UJJWTOGFAWGYEA-NIVTXAMTSA-N 407.308 4.040 0 1 HIAF Cc1cc2c(n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)CC(C)(C)CC2=O 587944333 AHIYXQVPYKESMC-UHFFFAOYSA-N 424.501 4.411 0 1 HIAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cc(-c3ccncc3)cs2)N1 962635933 KXQFZMRPVAMERN-SJLPKXTDSA-N 420.412 4.397 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1c(-c2ccc(C)cc2)nc2ncccn12 963038291 RZGZNICQKAACKE-XMMPIXPASA-N 421.504 4.497 0 1 HIAF CCC=CCC=CCC=CCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O 2356577457 FEFAAEYMDHYUFL-FQEVSTJZSA-N 406.567 4.411 0 1 HIAF CCc1ccccc1NC(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 13596668 FXUFBOXEDVYOIR-FQEVSTJZSA-N 422.573 4.369 0 3 HIAF CCOC(=O)C1=CC[C@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 72136254 MCNVRKPHQAIQIA-HXUWFJFHSA-N 419.930 4.274 0 3 HIAF CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F 775652 JQAWFKYLIJEFIQ-LLVKDONJSA-N 413.287 4.041 0 1 HIAF O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 4205044 GWFFJEMCQTUROB-RBBKRZOGSA-N 411.933 4.034 0 1 HIAF O=c1cc(-c2cccnc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12 13454430 GNOWCEMSRMWHRN-UHFFFAOYSA-N 422.525 4.251 0 1 HIAF CC(=O)c1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 13530074 FDMBBJLAZOJMIS-UHFFFAOYSA-N 410.473 4.194 0 1 HIAF COC(=O)C(C(=O)OC)[C@H]1CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C1 13685722 UXVAZCBFNZLQHS-SFHVURJKSA-N 410.466 4.052 0 1 HIAF in-vitro COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1ccnc1 13803331 LBIOYXLVKZXBHX-UHFFFAOYSA-N 413.840 4.450 0 1 HIAF O=c1cnn(-c2cc(Cl)c(Sc3ccc(Cl)cc3)c(Cl)c2)c(=O)[nH]1 28764496 OATLEVGCQDMCDJ-UHFFFAOYSA-N 400.674 4.032 0 1 HIAF CC1(C)CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(F)cc21 28886393 CSIRVBQGCZSQNO-QFIPXVFZSA-N 407.533 4.367 0 1 HIAF Cc1ccc(-c2nc(NC(=O)COc3ccc(F)cc3)cc(-c3nccs3)n2)o1 29041628 CLEOXYQMBIUOPG-UHFFFAOYSA-N 410.430 4.325 0 1 HIAF CC(=O)O[C@H]1C[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc(O)cc2)C=C1C 32296451 XLXAJOASBOPLDJ-BRUFLCKMSA-N 416.514 4.003 0 1 HIAF CN1CCC[C@@H](Cn2c(CN(C)[C@@H]3CCCc4cccnc43)nc3ccccc32)C1 34629739 VETGEHMWKIZMPG-AUSIDOKSSA-N 403.574 4.283 0 1 HIAF CC(=O)N1CCC[C@@]1(Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1 49125491 KZMHJOHYFXEQCA-OAQYLSRUSA-N 405.416 4.372 0 1 HIAF CCCC[C@@H](CC)CNc1nc(N2CCC(O)CC2)nc2cc(OC)c(OC)cc12 82136506 UGKGNKUMDCZAFU-MRXNPFEDSA-N 416.566 4.236 0 1 HIAF O=C(Nc1noc2ccccc12)N1CCN(c2nc(-c3ccccc3)cs2)CC1 95581654 BGKTYQGEJCHARP-UHFFFAOYSA-N 405.483 4.305 0 1 HIAF COc1ccc(Nc2nccc3ccn(S(=O)(=O)c4ccc(OC)cc4)c23)cc1 96940384 RIVMWYLRKBDGLS-UHFFFAOYSA-N 409.467 4.034 0 1 HIAF COC(=O)C1=C(O)C[C@H](c2ccccn2)N(Cc2ccc(C)cc2)[C@@H]1c1ccccn1 100073450 PBOXSQJFVSURPD-ZJSXRUAMSA-N 415.493 4.458 0 1 HIAF O=C(c1ccccc1-c1cccnc1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1 149930474 HNGPNDUPZZQYMH-CYFREDJKSA-N 421.504 4.043 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccc(O)cc3[nH]1)C(=O)OC2 586915865 SGIIGNJHWYZEDB-UUILKARUSA-N 408.454 4.083 0 1 HIAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Cl)c(F)cc2[nH]1 586954020 XVYPNDPMRXAPFM-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF CCCOc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1Br 586967013 OWCIDYNHSMKPSF-UHFFFAOYSA-N 422.304 4.500 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@@H]2CCCC[C@H]21 587027116 PJYGSSNNENOWFA-MJBXVCDLSA-N 401.923 4.094 0 1 HIAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1F 587145240 UVGMEAXHVDESJY-UHFFFAOYSA-N 408.360 4.446 0 1 HIAF Cc1c(Br)ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 587194922 ZSTJZDFWOMLNPP-AWEZNQCLSA-N 411.344 4.151 0 1 HIAF CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)ccc21 587327643 HLKUZENRWMFMGM-REWPJTCUSA-N 423.827 4.416 0 1 HIAF C[C@]1(c2ccc3oc(N)nc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336712 OGLKFMYAKOYSMJ-NFBKMPQASA-N 404.397 4.529 0 1 HIAF Cn1ccnc1[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339015 DCQGYLHWRMOWLI-REWPJTCUSA-N 404.397 4.161 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)CCC(=O)O)(c1ccc(C)s1)O2 587410871 QWQXJAONEAONNV-OAQYLSRUSA-N 401.484 4.022 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(OC)c1OCC(=O)O)CC2=O 587463469 XHPNRVGKTBSPCY-KRWDZBQOSA-N 420.845 4.177 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1n[nH]c3ccccc13)CC2=O 587487578 WJTIVMULUIMTIE-QHCPKHFHSA-N 408.454 4.035 0 1 HIAF COc1ccc(-n2ccnc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587579197 TUMGONAHVUFGGY-REWPJTCUSA-N 414.417 4.289 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2-n2cncn2)N1 587693043 CFSMVULUDXXMAA-MLCYQJTMSA-N 421.701 4.446 0 1 HIAF COC(=O)[C@H](C)[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587811916 XXJVKDIVPGWMKU-YPENRWOSSA-N 420.322 4.370 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2nccn2c1 587867114 VRSHLAMEOYISJR-UHFFFAOYSA-N 400.360 4.304 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@@](C[C@H]2CCCCCN2)(c2ccccc2)N1)C(F)(F)F 962763280 JYNFOYOPTAFLJB-UNWVZKJWSA-N 416.487 4.498 0 1 HIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1nc2cccc(C)n2c1Br 963637494 SNTXDJYKVITISC-ADLMAVQZSA-N 416.319 4.046 0 1 HIAF O=S(=O)(c1cc(F)cc(F)c1)c1cnc2cc(F)ccc2c1N1CCSCC1 1772619087 DPSJKXGRQUJZHC-UHFFFAOYSA-N 424.469 4.038 0 1 HIAF COc1cc(C)c(Cl)c(O)c1C(=O)c1c(C=O)c(O)cc(O)c1CC=C(C)C 1857591337 VEWXMVZOXRGIAH-UHFFFAOYSA-N 404.846 4.326 0 1 HIAF COc1ccc2c(c1)CC[C@H](C[C@H]1C=CN(Cc3ccccc3C)C=C1C(N)=O)C2=O 1857633348 TUALDOHFKJXKNG-WOJBJXKFSA-N 416.521 4.154 0 1 HIAF C[C@@](CCc1ccc(-c2ccccc2)cc1)(C(=O)Nc1ccccc1N)S(C)(=O)=O 1857647203 OQMNEWNNBFRXDJ-XMMPIXPASA-N 422.550 4.310 0 1 HIAF CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc3oc(O)nc3c2)CC1 1857654267 LACZPYWKOIONPO-UHFFFAOYSA-N 424.497 4.148 0 1 HIAF COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccc(Cl)cc3[nH]2)C[C@@H]1C(C)C 2356474881 HDSDJHWTDWPOSK-XYJFISCASA-N 403.954 4.376 0 1 HIAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356665794 NXDCWVAEZBBVNQ-VXNXHJTFSA-N 419.569 4.373 0 1 HIAF COc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1OCC1CC1 43071271 FRDKEPOOASUUFN-UHFFFAOYSA-N 422.510 4.109 0 3 HIAF Cc1ccc2c(c1)-n1c(nc3cc(Cl)ccc3c1=O)[C@H](Cc1ccccc1)NC2=O 61949292 YPCMIXVWMTZVEI-FQEVSTJZSA-N 415.880 4.375 0 3 HIAF CC(C)c1ccccc1Nc1cc(Nc2ccc(OC[C@H](O)CN(C)C)cc2)ncn1 13537863 CBFCBMJPNCKBPX-LJQANCHMSA-N 421.545 4.389 0 1 HIAF COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@](C)(O)CCC1=CCCC1 26672936 CRRIIWVDPUMLGV-UWDBISRESA-N 418.574 4.430 0 1 HIAF CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/c1ccccc1)CO2 27432974 DNRGNNPUDWAMPT-WQLAWCKDSA-N 412.526 4.319 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)c3cc4ccccc4oc3=O)cc2)cc1 49048106 RHSKHPPRAVKVKH-UHFFFAOYSA-N 419.458 4.133 0 1 HIAF Oc1ccc(Br)cc1C(=S)NCc1ccc(Br)cc1 58498991 GFWMHJZTRNTMQB-UHFFFAOYSA-N 401.123 4.383 0 1 HIAF COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1 72126981 KIUWHDPBBATYFB-UHFFFAOYSA-N 409.442 4.354 0 1 HIAF O=C(c1coc(-c2ccc3ccccc3c2)n1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 82081461 UFOVSZJYRJQXCY-OAQYLSRUSA-N 417.509 4.360 0 1 HIAF Oc1cccc(-c2nc3c(NCc4cccc(F)c4)ncnc3n2C[C@H]2CCCO2)c1 82181466 IGTYXMYHWXMUPR-LJQANCHMSA-N 419.460 4.129 0 1 HIAF O=C(O)[C@H]1CC(=O)N(c2ccc(C[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)C1 84633800 PGUKAFBSUIWYBS-JTHBVZDNSA-N 413.473 4.333 0 1 HIAF CCn1c(=O)n([C@@H]2CCN(C[C@@H]3CCCC34CCCC4)C[C@H]2CO)c2ccccc21 96888310 NINBTGRBXDYDNN-PCCBWWKXSA-N 411.590 4.039 0 1 HIAF COc1ccccc1CNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 103584723 SCHCGLKKBDPYHR-UHFFFAOYSA-N 404.495 4.140 0 1 HIAF CCOc1cc(C)nc2c1[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1Cl)CO2 146594853 QOQUTFMYXKRWGK-ZDUSSCGKSA-N 414.811 4.253 0 1 HIAF CC[C@H](C)C(=O)O[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 169303675 PCZOHLXUXFIOCF-OXHZRZELSA-N 404.547 4.196 0 1 HIAF Cc1nc(C2(NC(=O)c3cnc(C4CC4)c(-c4cccc(Cl)c4)n3)CCC2)no1 207339311 XJSYIXINUKNYBA-UHFFFAOYSA-N 409.877 4.175 0 1 HIAF NC1=N[C@](CF)(c2cc(Nc3cc(Cl)ccn3)ccc2F)C[C@@H](C(F)(F)F)O1 218663969 VISQHWDWNXZVRO-XJKSGUPXSA-N 420.769 4.448 0 1 HIAF Cc1cccnc1C(=O)NCc1cncc(N2C(=O)c3ccc(Cl)cc3C2(C)C)c1 220090610 WLYUZPKEGSYGKQ-UHFFFAOYSA-N 420.900 4.264 0 1 HIAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(O)c3[nH]2)C[C@@H](C)O1 586968361 NFFHTYUYDBYESX-OKILXGFUSA-N 421.526 4.118 0 1 HIAF COC(=O)c1ccc2nc(COc3ccc(Br)cc3C)[nH]c2c1OC 586981704 TWKRWFNPWHUHAB-UHFFFAOYSA-N 405.248 4.008 0 1 HIAF CCOC(=O)C(F)(F)[C@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586987539 YLJBFYQJLNPOJP-ZDUSSCGKSA-N 409.388 4.380 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2nc(Cl)c[nH]c-2n1)c1cccc(Cl)c1 587069438 AKCVXSFHXYPZBE-LBPRGKRZSA-N 408.289 4.420 0 1 HIAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587075939 GNTNLDMKPMAACX-UHFFFAOYSA-N 412.902 4.196 0 1 HIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)c(F)c(F)c2[nH]1 587174421 JDTBEGPZEYLEQI-LLVKDONJSA-N 409.209 4.467 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(C(=O)C3CCC3)CC2)[C@H]1c1ccc(F)cc1 587337837 BQXWZAYLNDZTBK-NRFANRHFSA-N 409.457 4.052 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3cc(Br)ccc3c1=O)O2 587373409 VAYIXOISFDEREM-QGZVFWFLSA-N 400.228 4.153 0 1 HIAF CC(=O)Nc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587379156 ZULKTGNUNZQPLF-LJQANCHMSA-N 403.276 4.179 0 1 HIAF COc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587400728 SPPNFPFBTOQUST-PNIPZHNDSA-N 409.482 4.338 0 1 HIAF CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420556 INTCXGZJFSGFGO-PNCHPQGNSA-N 414.885 4.277 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccn2)N1 587676699 FMAIFFFAHOOGME-AYVTZFPOSA-N 400.089 4.369 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3ccnc3)cc2)N1 587753434 ISCLRRNLCGZXPB-RNODOKPDSA-N 400.295 4.457 0 1 HIAF COc1cccc([C@@]2(CC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587805962 GZGJRRKGGPPYQQ-FKIZINRSSA-N 406.295 4.354 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc4c(cc32)OCCO4)N1 587835546 PKRXOVUVDAVPNV-YBTHPKLGSA-N 404.279 4.083 0 1 HIAF CCN(c1ccc(-c2csc(-c3cc(OC)cc(OC)c3)n2)cc1)S(C)(=O)=O 587923549 WBSLKUZONQBMQB-UHFFFAOYSA-N 418.540 4.280 0 1 HIAF COC(=O)c1ccc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c2c1OC 587930421 BNUXGPKZPJVDRO-UHFFFAOYSA-N 404.422 4.406 0 1 HIAF COc1ccc([C@H](O)[C@H](C)c2nc3cccc(I)c3[nH]2)cc1 587934087 AXERQIVCLGINNI-MGPLVRAMSA-N 408.239 4.013 0 1 HIAF COc1cc(-n2c(/C=C/c3ccco3)nc3ccccc3c2=O)cc(OC)c1OC 653883206 ZTICAIGCIMDKNM-ZHACJKMWSA-N 404.422 4.175 0 1 HIAF Cc1cc2nc([C@]3(C)N[C@@H](C(=O)O)Cc4c(C(F)(F)F)cc(F)cc43)[nH]c2cc1C 962710561 LVBIEDSJYLWXSV-YLJYHZDGSA-N 421.394 4.200 0 1 HIAF CN(c1ccccc1)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cn1 963230167 LQIYUGRGHDWLJN-UPVQGACJSA-N 410.477 4.086 0 1 HIAF CC(C)Cc1cc(C(=O)NCC2[C@@H]3CN(CCC(C)(C)C)C[C@@H]23)nn1-c1ccccc1 1857575177 BTOCVKXISIRIDV-GOTSBHOMSA-N 422.617 4.415 0 1 HIAF C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)cc2CO)C1 1857584140 SXFHODSMTGHVII-IBGZPJMESA-N 403.482 4.184 0 1 HIAF CCONC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1 1857593132 WVWVBTIPSZVDIE-UHFFFAOYSA-N 415.493 4.022 0 1 HIAF Cc1cc(Oc2ccc(C[C@H]3SC(=O)N(CC(=O)O)C3=O)cc2)cc(C)c1Cl 1857639317 HNJWCMXJDKLPSG-MRXNPFEDSA-N 419.886 4.440 0 1 HIAF COc1ccc(-c2noc([C@@H]3C[C@@H](NCc4cc5ccccc5o4)CN3C)n2)cc1 2356300616 JMMNQAZVWCCXCT-XLIONFOSSA-N 404.470 4.026 0 1 HIAF CC=CC=CC[C@@H]1C[C@@H]2C=CC(C)=C[C@@H]3C=C[C@H](O)[C@H](O)[C@@H]3C(C)=CC=C[C@H]2C(=O)N1 2356529835 UIBDXMJAGQYGAG-VPBJNXOXSA-N 421.581 4.172 0 1 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 767970 FRCONBIKIHKSBP-RBBKRZOGSA-N 423.875 4.470 0 1 HIAF Oc1ccc(Br)cc1C(=S)NCc1cccc(Br)c1 58494614 LIAWFMMSTXWHTA-UHFFFAOYSA-N 401.123 4.383 0 1 HIAF CCCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cc(-c2ccc3c(c2)OCO3)n1 66104694 BKKBDRPRVLLRLJ-UHFFFAOYSA-N 405.410 4.007 0 1 HIAF C[C@H](c1ccccc1)N1C[C@@H]2CCCN2c2cc(Br)ccc2S1(=O)=O 72136921 HYHZQJJFICKXKO-PBHICJAKSA-N 421.360 4.183 0 1 HIAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3C)cc2)cc1 100106826 WKGUCQBGKJHSPC-FVRPBGSPSA-N 418.562 4.099 0 1 HIAF CC(C)=CCN1CC[C@@]2(C)c3cc(O)c(I)cc3C[C@H]1[C@H]2C 100719927 BWXORCIRGKQZPT-XVGQJIODSA-N 411.327 4.487 0 1 HIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 104083737 JTJCTZZQNZOJNB-GCJKJVERSA-N 410.514 4.283 0 1 HIAF CC(C)(C)COc1cnc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3)ccc1O2 117769932 MALUDQJRFWLZQG-DEOSSOPVSA-N 416.481 4.263 0 1 HIAF Cn1cc(-c2cnc3[nH]cc(-c4cc(C5(c6ccccc6)CC5)nc(N)n4)c3c2)cn1 169700742 BXXUYBKKSGWSAV-UHFFFAOYSA-N 407.481 4.083 0 1 HIAF O=C(NC[C@@H](c1cnc(C2CC2)nc1)N1CCC(F)(F)CC1)c1ccccc1Cl 207685305 QCOFIVDIXXNNQM-SFHVURJKSA-N 420.891 4.210 0 1 HIAF C[C@@]12CC/C=C(/CO)CC[C@@H]3/C(=C\c4cccc(C(F)(F)F)c4)C(=O)O[C@@H]3[C@@H]1O2 299820776 IQXBMVSQHHJAPE-QDLADFFFSA-N 408.416 4.281 0 1 HIAF COC(=O)c1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2c(F)c1Nc1ccccc1 586892010 QRESNCSIQQIGAH-HXUWFJFHSA-N 407.401 4.020 0 1 HIAF CSc1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 587004059 ZOXVFKFJQFEGEL-UHFFFAOYSA-N 418.316 4.015 0 1 HIAF Cc1oc(-c2ccsc2)nc1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587027123 PKZJUDCPJBKJQF-UHFFFAOYSA-N 418.482 4.238 0 1 HIAF FC(F)c1c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cnc2ncnn12 587128768 QJBASMZUUQZKFC-UHFFFAOYSA-N 404.686 4.157 0 1 HIAF Nc1c(F)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1F 587135020 PSJIMBDASSNYLP-UHFFFAOYSA-N 404.012 4.010 0 1 HIAF CCS(=O)(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587226050 OFSIXVCKOMYSSO-QGZVFWFLSA-N 407.536 4.113 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3c2ccc(O)c3F)[C@H]1c1ccc(F)cc1 587329140 CHWXUISCSBWRSM-WMZHIEFXSA-N 410.372 4.413 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(C(=O)O)[C@H]1c1ccc(F)cc1 587351643 KISDRTGCWAIGTH-XUZZJYLKSA-N 406.409 4.346 0 1 HIAF Nc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540812 REFHKTKCULQPKX-XLIONFOSSA-N 412.239 4.440 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)C1CCOCC1 587588940 VKLVOTMYTNUORP-URXFXBBRSA-N 403.434 4.071 0 1 HIAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC 587594633 OZYPVEUEEFXMFR-WMZHIEFXSA-N 422.433 4.429 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3ccc(Cl)cc32)N1 587699139 PSCGALNAIXAUFJ-NIVTXAMTSA-N 410.670 4.329 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sc(N)nc2C(F)(F)F)N1 587711635 IHNFMXVYELXQPW-MDAAJZPYSA-N 424.261 4.443 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(C(F)F)N1 587723390 WODGKBQWLKVOMC-HUTHGQBESA-N 402.210 4.449 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC3CCOCC3)nc2)N1 587770318 IPCJPQDISSAMQC-ODXCJYRJSA-N 421.310 4.165 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)CCC(=O)N3C)N1 587772985 IIXXXAQTIWZVIJ-XUSGNXJCSA-N 417.322 4.295 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587776573 XJFRRMWSDMSHKW-IDTLQRJASA-N 411.315 4.101 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)N3CCc4cccc2c43)N1 587790877 JMCWUQCJYABMCG-QKVFXAPYSA-N 415.306 4.049 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798626 PQECVVVLHUVXBF-RBZFPXEDSA-N 406.295 4.238 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(F)cc1 587867728 NUCTUMBKELUYKZ-NSHDSACASA-N 409.339 4.219 0 1 HIAF COc1cccc([C@@]2(c3cc(F)c(F)c(F)c3)NCCc3ccc(F)c(C)c32)n1 962089177 GHGKZXSLYPRZFM-JOCHJYFZSA-N 402.391 4.393 0 1 HIAF C[C@@]1(CCc2ccc(F)c(F)c2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962650781 ZXEWIEROBZIVKY-DNQXCXABSA-N 410.464 4.460 0 1 HIAF Cc1nnc2c(Nc3cccc(CNC(=O)OC(C)(C)C)c3)nc3ccccc3n12 1772632098 NFTRFNNSPNFGQJ-UHFFFAOYSA-N 404.474 4.354 0 1 HIAF Cc1ccc(OCc2cn(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)nn2)cc1 1857549356 PNHCBWHBVANDGU-UHFFFAOYSA-N 423.480 4.061 0 1 HIAF CC[C@H](C)C=C(C)c1cc2cc3c(c(O)c2cn1)C(=O)[C@](O)(CC(C)=O)C(OC)=C3 2356871885 YMENRVORZPDFTB-RZFZLAGVSA-N 409.482 4.284 0 1 HIAF NC1CCC(Nc2nc(NCc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1 3591113 JTVILUUAQWQWBK-UHFFFAOYSA-N 405.550 4.235 0 1 HIAF in-vitro COc1ccccc1C1=C(C(=O)O)[C@@H](c2ccc3c(c2)OCO3)Oc2ccccc21 13473345 KKVYLLUXDOXQJX-HSZRJFAPSA-N 402.402 4.444 0 1 HIAF Nc1nccc2cc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)ccc12 14962567 OIOSZWHRMMGGEC-FQEVSTJZSA-N 409.493 4.309 0 1 HIAF Oc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)co1 26174049 RXGOETNYBNUSSO-UHFFFAOYSA-N 414.303 4.132 0 1 HIAF C[C@@]1(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC(C(F)(F)F)=NN1 28710426 FQJKBFJTFRQIDV-NSHDSACASA-N 418.135 4.077 0 1 HIAF C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820834 SCMCFQAAPCVHCE-YPWLHJPSSA-N 402.531 4.073 0 1 HIAF O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3Cl)CC2)CC1 38428045 AQMPTYUVSBXZPZ-UHFFFAOYSA-N 424.976 4.285 0 1 HIAF CC(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1CC[C@H]1CCCN1C 82185824 FBYOHAOFNWCZCS-LJQANCHMSA-N 410.541 4.260 0 1 HIAF CSCCc1nc2nc(N(Cc3ccccc3)Cc3ccccc3)ccc2[nH]c1=O 82231461 CZGPXELKLANBOQ-UHFFFAOYSA-N 416.550 4.430 0 1 HIAF COc1ccc(Sc2ccc(F)cc2CSC(=N)N)c(CSC(=N)N)c1 84672007 MZGWPZUKSRDPSD-UHFFFAOYSA-N 410.565 4.239 0 1 HIAF C=Cc1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12 88345672 KADYYOHTHLPXFC-UHFFFAOYSA-N 422.492 4.021 0 1 HIAF CNc1nc(Nc2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2OC)ncc1Cl 169705016 IABVILFOULNYAX-CHWSQXEVSA-N 403.914 4.042 0 1 HIAF Cc1cc(C)nc(-n2nnc3c2CCN(C(=O)c2cccc(Cl)c2Cl)[C@@H]3C)c1 225976566 DKMRXVCUOIHSIP-CYBMUJFWSA-N 416.312 4.345 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 299877697 HSPZVPFUXRJCRH-SPVIKVHDSA-N 406.935 4.017 0 1 HIAF O=C(NCc1ccccc1)c1c(-c2ccccc2)n(O)c2ccc(Cl)cc2[n+]1=O 377816232 JVTUZCUGRMPJFU-UHFFFAOYSA-O 406.849 4.044 0 1 HIAF COc1ccc2c(C)c(CCc3nc4cc(F)c(F)c(F)c4[nH]3)c(=O)oc2c1C 586918914 SVGNKJGFSGKMCO-UHFFFAOYSA-N 402.372 4.497 0 1 HIAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCNC4=O)cc3)nc3ccc(O)c1c23 586987997 KFSIYBCFFQGFOB-UHFFFAOYSA-N 407.429 4.348 0 1 HIAF N[C@H](N=O)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587183366 XWKUMDRENYHHBK-CYBMUJFWSA-N 412.618 4.212 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(N)c(Cl)cc21 587379196 GKUHJOVUAJHZFQ-QHCPKHFHSA-N 404.853 4.266 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCC1)([C@H]1CCCN1C(=O)OC(C)(C)C)O2 587398872 IUNAPSLWKZISMS-XXBNENTESA-N 400.519 4.481 0 1 HIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(F)ccc(Br)c12 587507672 NUUUPWRXSINVFY-FQEVSTJZSA-N 416.246 4.280 0 1 HIAF CN(C)CCOc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587569121 FELBNCQCJOQFAU-RDGATRHJSA-N 419.477 4.210 0 1 HIAF O=C(c1ccc(C(F)(F)F)nc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658997 WZKVTVIUPVKYNO-UHFFFAOYSA-N 413.330 4.305 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)ncnc2Cl)N1 587704282 JBZYPYISBMYUBT-NZFNHWASSA-N 405.098 4.483 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cccnc2Cl)N1 587706238 PFEMXJVAEDBWJJ-QZIFWRFXSA-N 424.745 4.490 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3cc(F)ccc3c2=O)N1 587734339 QRXPYONLZUESHD-DYBLOJMWSA-N 406.226 4.457 0 1 HIAF Cc1ccnc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587739635 BUNBAFHUYRKONL-HXPMCKFVSA-N 406.299 4.070 0 1 HIAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2oc(N)nc2c1 587747977 TVDWQYHCIJWOBC-OVWNDWIMSA-N 404.283 4.418 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1C[C@H]2CN(Cc2ccccc2)C1 587774809 OSMYZYSWECKFQL-WBAXXEDZSA-N 415.350 4.470 0 1 HIAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(C)=O 587807847 OBQMAIQWLMCWRB-OVWNDWIMSA-N 408.267 4.146 0 1 HIAF CC(=O)NCc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587849665 VAIIRTCAWTURLC-YPMLDQLKSA-N 411.340 4.084 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccccc1C 587867943 SDSSHRVMLNZSFF-CYBMUJFWSA-N 405.376 4.389 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 587872662 QCYCDCBTWUDNQN-KRWDZBQOSA-N 403.454 4.128 0 1 HIAF CCOC(=O)CCC[C@]1(c2ccc3c(c2)OCCO3)NCCc2ccc(F)c(C)c21 962376468 PMTSZNAEHKPLHC-XMMPIXPASA-N 413.489 4.028 0 1 HIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(CCOc3c(F)cccc32)N1 963170252 IUTLKADGDKEZSY-QAPCUYQASA-N 415.770 4.123 0 1 HIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2coc(-c3cccc(Cl)c3)n2)N1 963240160 YFDHIWZXNTZOFS-AZUAARDMSA-N 405.841 4.232 0 1 HIAF C/C=C/c1ccc(Nc2ncnc3cc(OCCN4CCOCC4)c(OC)cc23)cc1 1857639429 OIJJAWHWGJVNOG-ONEGZZNKSA-N 420.513 4.126 0 1 HIAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]23C)[C@H](OC)O1 2356336311 LGITXCALUZAZQD-NWRYMEIDSA-N 424.578 4.444 0 1 HIAF Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]12 205216728 YHZGTYAZCNIXJK-DHIUTWEWSA-N 418.518 4.086 0 3 HIAF O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 627416 IGACZDWVAUZSAP-ZIAGYGMSSA-N 416.836 4.337 0 1 HIAF CN(C)CCOc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1 3938008 BQPFUKPRNWNYNF-UHFFFAOYSA-N 415.493 4.361 0 1 HIAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215223 KFEHDMUCZNJERV-QTJGBDASSA-N 408.542 4.420 0 1 HIAF C[C@@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 9780711 JZCHBJSHYLEUPN-RGYTYGDFSA-N 420.391 4.442 0 1 HIAF CC[C@H](C)C(=O)O[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 11592693 PCZOHLXUXFIOCF-XCIAZKQCSA-N 404.547 4.196 0 1 HIAF O=C1O[C@](O)(c2ccc(Cl)cc2)C(Cc2ccccc2)=C1c1ccc2c(c1)OCO2 13740947 HIOIBSDPMJWBMG-XMMPIXPASA-N 420.848 4.467 0 1 HIAF CCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832045 DCFPOFBRPADJDQ-UHFFFAOYSA-N 406.526 4.450 0 1 HIAF CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)Cc3ccccc3)nc21 13834594 DDFMQYRPIBVRHP-FQEVSTJZSA-N 416.529 4.035 0 1 HIAF CN(C)C(=O)c1cc(-c2ccccc2)c(O)c(-c2cc3cc(C(=N)N)c(F)cc3[nH]2)c1 14955473 QEWPWXLSDLXYFF-UHFFFAOYSA-N 416.456 4.332 0 1 HIAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(N)c1 26952569 GXYDBTCLBZLDRJ-YOGQACPKSA-N 407.558 4.121 0 1 HIAF O[C@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12 26974917 KEVOVRYMDHRZOO-IBGZPJMESA-N 407.485 4.240 0 1 HIAF COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3ccccc3)CC1)OC(C)(C)C2 27899268 IWQCMHLUMLLIKU-JOCHJYFZSA-N 410.558 4.309 0 1 HIAF CCOC(=O)c1c(-c2cccc(N)c2)c(C)n2c1-c1cc(OC)c(OC)cc1CC2 34389739 VPBHLVIWDRVJOJ-UHFFFAOYSA-N 406.482 4.463 0 1 HIAF Cc1ccc2c(N3CCN(CCc4c(C)ccc5[nH]c(=O)ccc45)CC3)cccc2n1 64573590 WJEBTWQLGLLSGW-UHFFFAOYSA-N 412.537 4.058 0 1 HIAF Cc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cccc(C)c3)cc2)cc1 100106676 FCATZLUSBQEYRT-QEIWAGNOSA-N 418.562 4.099 0 1 HIAF [C-]#[N+]c1ccc2ccn(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@H]4CC[C@H]3N4)c2c1 100633008 HJRDIYKLIUAXLY-VQIMIIECSA-N 416.506 4.270 0 1 HIAF O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)CCC(F)(F)F)CC1 199586131 ZWUAPSAUHLJRRI-UHFFFAOYSA-N 411.346 4.160 0 1 HIAF CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nnc(N5CC[C@H](N)C5)s4)cc23)n1 215266393 NLOZLPYLNHZXJD-HNNXBMFYSA-N 420.542 4.073 0 1 HIAF C[C@@H]1c2ncn(-c3cnccn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 221714715 MGIXWTWNCJHXKS-LLVKDONJSA-N 421.810 4.094 0 1 HIAF CC(=O)N[C@H]1CC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3nccc3n2)CC1 254093046 LQQLWOIHCSEMRP-HDJSIYSDSA-N 416.888 4.125 0 1 HIAF COc1ccccc1-c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)n1 261142131 NGOGQQVAUHTHCI-IBGZPJMESA-N 410.857 4.356 0 1 HIAF CCOC(=O)c1cc2cc(N3CCN(C(=O)CCc4ccc(F)cc4)CC3)ccc2o1 299834834 ZSEHHIQFHZHXHO-UHFFFAOYSA-N 424.472 4.030 0 1 HIAF CO/C(=C/C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)N[C@H]1CN2CCC1CC2 299855330 DMTRKCFYVGKARW-GVDJOFHOSA-N 420.340 4.229 0 1 HIAF Fc1cnc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587004396 ULZVTMIRUKNYFO-UHFFFAOYSA-N 411.032 4.165 0 1 HIAF CC1=C(c2ccc3nc(-c4cc(NC(=O)C(C)C)ccc4Cl)[nH]c3c2)NNC(=O)C1 587049628 SSNPAAIRQRFWGL-UHFFFAOYSA-N 423.904 4.233 0 1 HIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587114419 UDPHVESCXDEZRZ-GFCCVEGCSA-N 411.449 4.178 0 1 HIAF O=C(/C=C/c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)Nc1ccc(F)cc1 587166767 IPJLOIUAUXHIDN-AATRIKPKSA-N 400.282 4.403 0 1 HIAF Cc1cncc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c12 587218732 KRQSXVYDBQDRBA-KRWDZBQOSA-N 424.501 4.356 0 1 HIAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587232051 RYKMGTZISFPYBM-QWRGUYRKSA-N 419.831 4.151 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C[C@H]3CC4(C[C@H]3C2)OCCO4)[C@H]1c1ccc(F)cc1 587357008 MBGXSOPMMBNLFL-DUZJROSDSA-N 410.441 4.192 0 1 HIAF O=C1C[C@@H](c2c(Br)cnc3c2OCCO3)Oc2c1ccc1c2CCCC1 587500304 WBRZLIIVTWBBIP-INIZCTEOSA-N 416.271 4.201 0 1 HIAF O=C1C[C@H](c2cncc(I)c2)Oc2c1ccc1c2CCCC1 587506127 NPOUSOZFVBGACD-QGZVFWFLSA-N 405.235 4.272 0 1 HIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cccc(O)c1C(=O)c1cccc(O)c12 587532356 LHKSBHFRYRPKQA-SANMLTNESA-N 412.441 4.430 0 1 HIAF Cc1cccc(N2CCC([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)CC2)n1 587580707 DAEMFZSJPBWYLI-WIOPSUGQSA-N 416.477 4.342 0 1 HIAF O=C(O)c1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589320 NZPWZWOUZFGGOS-PGRDOPGGSA-N 401.374 4.275 0 1 HIAF COC1CC(C)(C)N(CCOC(=O)Cc2c(C)[nH]c3cccc(F)c23)C(C)(C)C1 587636949 QOLVVONGYXEIPV-UHFFFAOYSA-N 404.526 4.369 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(C(N)=O)CC[C@@]2(C)C3(C)C)N1 587751330 XUICUWLYDPOXQW-SGMNNIIASA-N 409.343 4.019 0 1 HIAF COc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587756987 UAIRPROQFFZPHC-MPBGBICISA-N 416.294 4.406 0 1 HIAF COc1ccccc1-n1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587760724 QDRVTPCQZSKVAE-FKIZINRSSA-N 416.294 4.406 0 1 HIAF CCc1nn(CC)c2c1[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587761399 BEFKSWMDJDYPGK-FKIZINRSSA-N 406.343 4.481 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCOC3=O)c2)N1 587764991 HXQUPFFOSJDMED-FKIZINRSSA-N 419.294 4.343 0 1 HIAF Nc1nc(O)c2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2n1 587784715 VEOQFANNMJEWBS-UHFFFAOYSA-N 423.476 4.478 0 1 HIAF CC[C@]1(c2ccc(OCC(=O)O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792459 LHCBQTOHGTXLJJ-FKIZINRSSA-N 422.294 4.239 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2C(=O)CC(C)(C)CC2=O)N1 587822968 NUKNILZAOQFCIP-YBTHPKLGSA-N 410.327 4.302 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(OC(C)C)cc1 587867717 NHGCHCOLMVRWGP-UHFFFAOYSA-N 405.376 4.448 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(Cl)cn2)c2ccsc2CCN1Cc1ccco1 962705250 KSUXZSMPRNVEOU-FQEVSTJZSA-N 402.903 4.255 0 1 HIAF Cc1ccc([C@]2(Cc3ccncc3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963227057 MEXLCXMTZBFFQX-AHWVRZQESA-N 409.489 4.023 0 1 HIAF CS(=O)(=O)c1nc(-c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)n[nH]1 1857638383 HIEQEJQYNHDESF-UHFFFAOYSA-N 418.522 4.082 0 1 HIAF CC(C)CCCCCCCCC[C@@]1(O)C=C[C@@H]2N(CCCCNC(=N)N)CCCN21 2356827907 IQMRXJMUTRVBJS-ISKFKSNPSA-N 421.674 4.009 0 1 HIAF CCOc1cc2nc(=S)n(Cc3ccc(C(=O)O)cc3)c(O)c2cc1OCC 253621262 LCDVEYNRAAWVIK-UHFFFAOYSA-N 400.456 4.015 0 3 HIAF Nc1cc(F)ccc1C(=O)CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 3643771 SBAFWLYMAPHVMW-UHFFFAOYSA-N 424.438 4.373 0 1 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4037769 UHOYXVCERVTWJE-ICSRJNTNSA-N 411.914 4.392 0 1 HIAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1cccc(OCC)c1 4153238 MARULYAQJNQIKM-GGAORHGYSA-N 410.514 4.492 0 1 HIAF COC(=O)c1[nH]c2ccc(OC)cc2c1Sc1cc(OC)c(OC)c(OC)c1 13585526 ACDKXOCMVBVHIC-UHFFFAOYSA-N 403.456 4.140 0 1 HIAF COc1ccc([C@]2(O)OC(=O)C(c3cccc(OC)c3)=C2Cc2ccccc2)cc1 13761538 GVDXSUKFBRQDFV-VWLOTQADSA-N 402.446 4.102 0 1 HIAF CCCc1c(COc2ccc3c(c2)CC[C@H](CC(=O)O)C3=O)ccc(C(C)=O)c1O 13824180 CECXFVCSDWXOBN-MRXNPFEDSA-N 410.466 4.346 0 1 HIAF COc1cc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)nn1-c1ccc(-c2nnn[nH]2)cc1 45245848 KMEOTOPZNOZAQL-ZIAGYGMSSA-N 423.908 4.126 0 1 HIAF COc1ccc(-c2ssc(=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1N 59100764 MTYNFEWWBDIYEZ-UHFFFAOYSA-N 405.497 4.120 0 1 HIAF COc1cc2nc(NCC(c3ccccc3)c3ccccc3)nc(N)c2cc1OC 82131645 FMWAXUPCFGBTDJ-UHFFFAOYSA-N 400.482 4.473 0 1 HIAF FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ncnc4ccccc34)CC2)c1 95569673 WDLKLAAQZCDKEL-UHFFFAOYSA-N 417.460 4.168 0 1 HIAF CCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@H]4CC[C@H]3N4)ccc21 100632955 VBKANYWYTNJEAU-OXQOHEQNSA-N 419.550 4.335 0 1 HIAF COCON1C(=O)C(c2c(C)cc(C)cc2C)=C(OC(=O)CC(C)(C)C)C1(C)C 103183539 JABMUOVHAIPAOQ-UHFFFAOYSA-N 403.519 4.459 0 1 HIAF COc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cc[nH]c(=O)c4)cc3s2)cc1 103290040 OWOIXIRTYGMKDQ-MSOLQXFVSA-N 417.490 4.402 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccnc4)n3)c(Cl)cn2)CC1 169703630 UCGNEHADSDZOQC-CALCHBBNSA-N 408.937 4.486 0 1 HIAF Oc1c2c(c(O)n1-c1ccc(I)c(Cl)c1)[C@H]1CC[C@@H]2O1 169727202 WXMHIDODJHKFEP-AOOOYVTPSA-N 403.603 4.053 0 1 HIAF COc1ccc(-c2c(CO)n(Cc3ccc(F)cc3F)c3cc4c(cc23)OCO4)cn1 299823297 UKBOLPXEUUTVID-UHFFFAOYSA-N 424.403 4.259 0 1 HIAF O=C(O)C[C@@H]1NCCc2c1[nH]c1ccc(OCc3cccc(C(F)(F)F)c3)cc21 299871091 XRUFRVIPMKVXLM-SFHVURJKSA-N 404.388 4.427 0 1 HIAF COc1cncc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587072434 WMOLQSOQOXOAIH-CQSZACIVSA-N 402.882 4.428 0 1 HIAF Cc1c(F)c(C)c(F)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c1F 587276621 PBPYIKTUJPSNAR-UHFFFAOYSA-N 414.177 4.348 0 1 HIAF COc1ccc(C)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348293 NHVVOSRKXPJKDG-HYBUGGRVSA-N 419.408 4.055 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Br)cc(F)cc21 587472428 QKBJTUDJKZYLPC-LJQANCHMSA-N 420.234 4.059 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C)C(=O)O)c(OCC)c1)CC2=O 587481920 IZEJAVDQMAESFR-RNODOKPDSA-N 414.454 4.302 0 1 HIAF Cn1ccnc1[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613494 PCWVATCLTIHPHA-GCJKJVERSA-N 404.447 4.093 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)OCc2ccccc2)N1 587752250 DMWMHVNSGBFTMX-XIKOKIGWSA-N 407.283 4.090 0 1 HIAF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccccc1 587756864 FYEFAVOYBOTJRS-YUNKPMOVSA-N 415.310 4.275 0 1 HIAF C[C@H](Oc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1)C(=O)O 587796239 SNWXJCKKXOTOAS-JGRMJRGVSA-N 422.294 4.238 0 1 HIAF CC1(C)CN2c3cc(Br)cc(c31)[C@]21CCC(=O)N2CCc3cccc1c32 963066311 GOBCVSPDKORPGS-JOCHJYFZSA-N 409.327 4.487 0 1 HIAF O=C1[C@H](c2ccccc2)Oc2cc(O)ccc2[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963115632 XFIINRFPWYGFQN-YLORPAJWSA-N 415.464 4.498 0 1 HIAF CC(C)[C@@]1(c2ccc(F)cn2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186851 LJAFPNTXRXDMIJ-UGSOOPFHSA-N 416.802 4.391 0 1 HIAF C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)C1=O 1772613128 XLERPYDVNGAEHV-NZYDNVMFSA-N 400.469 4.021 0 1 HIAF CN(C)CCN1C(=O)c2cccc3c(-c4nc5ccccc5s4)ccc(c23)C1=O 1772629841 QQESLNVUNWNYNT-UHFFFAOYSA-N 401.491 4.274 0 1 HIAF C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)cc(F)c2F)NC(=N)S[C@H]2C[C@H]21 1857560021 GPAXGFDBMSTBMT-RHXQLXPWSA-N 408.861 4.140 0 1 HIAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)c5ccccn5)sc4C[C@@]3(C)CC[C@H]12 2356320806 OBYSSIJIWOXWOJ-WCFONHCHSA-N 411.527 4.044 0 1 HIAF CCO[C@@]1(c2cc(O)ccc2O)C=C(CCC=C(C)CCC=C(C)CO)C(=O)O1 2356815739 CUSAEAZTYDVKLC-QHCPKHFHSA-N 402.487 4.216 0 1 HIAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4296185 OSFWGZVZPVATPD-PZJWPPBQSA-N 417.912 4.029 0 1 HIAF CCN1CCC[C@H]1CNC(=O)c1cc(Nc2ccccc2OC)nc2ccccc12 4911788 ONUBHWQYBXHIBK-KRWDZBQOSA-N 404.514 4.201 0 1 HIAF COC(=O)/C=C\S/C(=C(/c1ccccc1)n1ccc(C(=O)OC)n1)c1ccccc1 6019810 MLUSCGLGARAUJY-VJSMIHFMSA-N 420.490 4.464 0 1 HIAF CN1CCCC[C@@H]1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610362 ATSQUXDTANOYQX-FAFZWHIHSA-N 403.530 4.409 0 1 HIAF CS(=O)(=O)c1ccc(-c2nn3c4c(cnc3c2-c2ccc(F)cc2)CCC4)cc1 13861624 ITLKRZRIJGOXFP-UHFFFAOYSA-N 407.470 4.095 0 1 HIAF Cc1ccc(NC(=O)NCc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C 28524579 LPNXPWAKNHEHBK-NHCUHLMSSA-N 403.482 4.081 0 1 HIAF COc1ccc(/N=c2\scc(CC(=O)Nc3ccc(C(F)F)cc3)n2C)cc1 29124765 GPAQZOZNMRQROH-GFMRDNFCSA-N 403.454 4.446 0 1 HIAF CSc1ccc(C2=C(c3ccc(OC[C@@H]4CO4)cc3)C(=O)N3CCC[C@H]3C2)cc1 29406382 RKNQYZUPERHOKK-AZUAARDMSA-N 407.535 4.492 0 1 HIAF CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3ccccn3)c2c1 45298870 GBCXGXUCWUJGOS-UHFFFAOYSA-N 410.430 4.103 0 1 HIAF Clc1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(-c3cccnc3)cn12 58650296 FXFAGYZXIGMEEG-UHFFFAOYSA-N 406.877 4.025 0 1 HIAF in-vitro CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2CC[C@H]1CCCN1C 82186224 QNOFQIYFLKUSBG-GOSISDBHSA-N 408.550 4.285 0 1 HIAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccccc2Cl)nn1 103201244 LFHYJWBWEKMFRA-UHFFFAOYSA-N 404.760 4.162 0 1 HIAF COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccc(OC)cc2)cc1 103236540 SRHICQWNMDTHGT-ZJSXRUAMSA-N 400.434 4.070 0 1 HIAF O=C(O)c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(OC(F)F)c(OC(F)F)c1 103250091 ITOPHTCFBLGYAI-RYUDHWBXSA-N 413.323 4.330 0 1 HIAF O=C(O)[C@H]1C[C@@H](C2=CCN(c3ccccc3)C2=O)c2c(Cl)cc(Cl)cc2N1 139227670 WCVMSBDOPRGOSK-WMLDXEAASA-N 403.265 4.319 0 1 HIAF Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)C3)cs1 142943668 SSHIUOSPXKCYNW-UHFFFAOYSA-N 407.524 4.095 0 1 HIAF CN(C)C1N2Cc3cc(Br)ccc3N1Cc1cc(Br)ccc12 169565911 NOJJYECJELHKBB-UHFFFAOYSA-N 423.152 4.397 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cc4cc5c(cc4nc1Cl)OCCO5)[C@@H](C2)C3=O 587421615 QGUNNHBOSXTZEG-ZSEKCTLFSA-N 409.825 4.157 0 1 HIAF C=CN1CC[C@@H]([C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587512924 GPMVXWMXJWWXHX-ATIYNZHBSA-N 417.505 4.427 0 1 HIAF CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(OCC(=O)O)cc2O1 587536713 VYLWVVCAISUHTC-RUZDIDTESA-N 422.477 4.451 0 1 HIAF C[C@]1(c2cn(CCN)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580385 XLZDJLGZUBCCJI-RCZVLFRGSA-N 414.461 4.183 0 1 HIAF CCOC(=O)Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599665 YRXRCZUWMXATMJ-WIOPSUGQSA-N 418.445 4.375 0 1 HIAF CCOC(=O)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587727141 ARCVIQWIZVUFQU-NSPYISDASA-N 410.258 4.068 0 1 HIAF CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618865 DZVQFGSBDOJQAX-SAQVGAHLSA-N 411.542 4.217 0 1 HIAF CCCN1C=C(C(=O)O)[C@@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2cc(F)ccc21 963115171 USQGXACZFGVGOA-HOYKHHGWSA-N 410.464 4.427 0 1 HIAF COC(=O)C(C)(C)C[C@@H]1c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963862901 JLDGWUONHGVXJX-IAGOWNOFSA-N 419.518 4.262 0 1 HIAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(-c2ccccc2)nn1 1857631279 KRVUVJRVGZNESI-UHFFFAOYSA-N 405.405 4.040 0 1 HIAF CCc1ccc([C@H]2c3[nH]c4ccc(OC)cc4c(=O)c3CN2c2ncccn2)s1 1857763234 YCGWQKIBGNAIIL-FQEVSTJZSA-N 404.495 4.060 0 1 HIAF CCCC(=O)O[C@]1(C)CCC=C(C)C[C@H]2O[C@H]1[C@@H]1[C@H]3C[C@@H](OC[C@@H]3C)[C@](C)(O)[C@@H]21 2356485019 PJCYPUODMUBESE-ZQEYGCRFSA-N 406.563 4.024 0 1 HIAF CCc1nc2c(OCc3c(C)noc3C)cccn2c1N(C=O)Cc1ccccc1 61897500 LKEPFXRELPYOQZ-UHFFFAOYSA-N 404.470 4.244 0 3 HIAF CCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)c1ccncc1 61903762 GXEIRYFGRBSRLX-UHFFFAOYSA-N 422.435 4.426 0 3 HIAF CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2ccc(OC)cc2OC)c1C 2928427 NUGZHWQXEPACAE-UHFFFAOYSA-N 422.481 4.296 0 1 HIAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CCOCC1 4153772 BXHCZEDQSTZMBW-LADGPHEKSA-N 422.525 4.159 0 1 HIAF O=C(O)c1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 29132334 NJVIQYGVTISQPV-FQEVSTJZSA-N 412.873 4.091 0 1 HIAF COc1ccc2c(c1)c([C@@H]1CCN(C)C1)cn2S(=O)(=O)c1ccc(C(C)C)cc1 72176898 DZEPEZKWVZRFSQ-GOSISDBHSA-N 412.555 4.429 0 1 HIAF CCCCNC(=O)c1ccc(CNC(=O)c2csc(Nc3ccccc3)n2)cc1 82081887 ZRKPBPJKGVWFBL-UHFFFAOYSA-N 408.527 4.347 0 1 HIAF COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2[C@H]2SC(=O)NC2=O)cc1 96921575 DSASXCJKPZGHQH-UNMCSNQZSA-N 417.490 4.309 0 1 HIAF COc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)c1OC 101095163 VGOAURMKLDUSEO-WOJBJXKFSA-N 412.505 4.158 0 1 HIAF CC[C@H](C)C(=O)O[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 104892965 PCZOHLXUXFIOCF-KQKGYTFUSA-N 404.547 4.196 0 1 HIAF COc1ccc(C[C@@H]2C[N+]3=C(NC[C@@H]3CC3CCCCC3)N2CC2CCCC2)cc1 169721152 LTOSYUMARDRUGJ-BJKOFHAPSA-O 410.626 4.423 0 1 HIAF Brc1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1 200629637 REHLIKVJTUUECZ-UHFFFAOYSA-N 417.270 4.088 0 1 HIAF FC(F)(F)c1cc2nc(-c3nccnc3I)[nH]c2cc1Cl 587186813 VHCNMCBWHWUTJE-UHFFFAOYSA-N 424.551 4.297 0 1 HIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccnc(Br)c3[nH]2)c1 587240212 HCEZQVWZPIGOHG-UHFFFAOYSA-N 405.252 4.440 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccoc3)CC2)[C@H]1c1ccc(F)cc1 587342284 DECKJOOYIFBTME-NRFANRHFSA-N 421.424 4.158 0 1 HIAF Cc1ccc([C@]2(c3cc(/C=C/C(=O)O)n(C)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587391126 PPNDFZNIEHTSDU-DRUWVYPFSA-N 416.477 4.231 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N(C)C)c(Cl)c1)CC2=O 587459708 CVYNSSKLSALEOS-FQEVSTJZSA-N 417.889 4.172 0 1 HIAF CN(C)C(=S)Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587614948 VWSKSPBSKMCPLC-UGKGYDQZSA-N 421.474 4.320 0 1 HIAF C[C@H](Oc1ccccc1F)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658573 PDXCQGYIQBCRSK-AWEZNQCLSA-N 406.388 4.449 0 1 HIAF CCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)ccc21 587776250 VUIQOBNCWCBQJQ-YUNKPMOVSA-N 403.295 4.041 0 1 HIAF COc1cc(OC)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587808874 RBJNZKHRKWXNDZ-BIBXISHDSA-N 424.310 4.412 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2(C(=O)O)CC2)N1 587825385 HRMHAWDUDZTOCY-MPBGBICISA-N 404.279 4.231 0 1 HIAF Cc1c(C2=CCNCC2)c2ccccc2n1S(=O)(=O)c1cc2ccccc2cn1 1857546007 FWPHYUUPRUSTIW-UHFFFAOYSA-N 403.507 4.112 0 1 HIAF C[C@@H](NC(=O)c1cc(-c2ccnc(O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 1857579250 CMNKDUHXNREUGB-SECBINFHSA-N 421.259 4.368 0 1 HIAF CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(C=Cc2ccc(Cl)cc2)c1=O 2356515374 MMXCSGNKVZUBFL-MJGOQNOKSA-N 411.933 4.209 0 1 HIAF CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](C)[C@](O)(CCc2ccoc2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356705931 JVNDWNJCKQLUBH-DRDHMWBUSA-N 420.546 4.289 0 1 HIAF CCOC(=O)[C@@H](CCSC)Nc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1 12477041 QJDAZWYWZZCXHN-GFCCVEGCSA-N 416.334 4.019 0 3 HIAF O=C1c2cc(Cl)ccc2OC2(CCNCC2)[C@]12CC(c1ccc(Cl)cc1)=NO2 13660566 ADGXGVQHJYUDJL-NRFANRHFSA-N 417.292 4.254 0 3 HIAF CC1(C)CN(Cc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 61923194 YULWBLMUJMALIO-GOSISDBHSA-N 415.331 4.463 0 3 HIAF COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@@H]1c1cccc(Cl)c1 95600670 XCKCRMXOQKWBBV-GOSISDBHSA-N 404.894 4.358 0 3 HIAF CC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358042 YSFRXMSOTXOZQZ-OAHLLOKOSA-N 409.404 4.297 0 1 HIAF CCOC(=O)[C@@]1(C(C)C)Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC 13813308 OXRXXPMWFFWYPH-DEOSSOPVSA-N 410.466 4.020 0 1 HIAF Cc1ccc2nc(Cl)c3cc(C(=O)N4CCN(c5ncccn5)CC4)sc3c2c1 20321337 ALRFVHGZCYDSDR-UHFFFAOYSA-N 423.929 4.164 0 1 HIAF Cc1ccc(S(=O)(=O)N[C@H](CN[C@@H](C)c2ccccc2)Cc2ccccc2)cc1 26152002 TYVDSYMCSNUDHM-REWPJTCUSA-N 408.567 4.235 0 1 HIAF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)C1CCCCC1 40847996 CGTRHFUFLSTCIC-UHFFFAOYSA-N 412.497 4.455 0 1 HIAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C\c2cnc3ccccc3c2)C(=O)O1 45496165 NZYNTDGHNYYHKJ-GWZGDKMZSA-N 411.498 4.056 0 1 HIAF FC(F)(F)c1ccc([C@@H](NC2CCN(c3ncccn3)CC2)c2cncs2)cc1 72102981 FCRWADQLVIZBND-GOSISDBHSA-N 419.476 4.300 0 1 HIAF O=C(NCC1CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069300 SDFPSNBKAHZHCU-IBGZPJMESA-N 411.571 4.359 0 1 HIAF Fc1cccc(CCNc2ncnc3c2nc(-c2ccccc2)n3C[C@H]2CCCO2)c1 82179422 IATIBZAXKXYEHN-HXUWFJFHSA-N 417.488 4.466 0 1 HIAF COc1ccccc1-c1csc(N2CCC[C@@H]2C(=O)NCc2ccc(C)cc2)n1 82195671 GREREFVHHTZVHS-HXUWFJFHSA-N 407.539 4.412 0 1 HIAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 95878468 NODNRZMCCGMLDV-LJGDZFJRSA-N 416.496 4.411 0 1 HIAF O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccon1 143138161 CORJZZNGLVYDPC-JCNLHEQBSA-N 407.445 4.408 0 1 HIAF CN(C)CCOc1ccc2c(c1)nc(NC(=O)c1ccccc1)n2-c1ccccc1 169326279 JRADTWPUSOHVIS-UHFFFAOYSA-N 400.482 4.218 0 1 HIAF C[C@H]1c2ncn(-c3ccc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1F 226014609 AKARXLACIWHCCM-NSHDSACASA-N 422.357 4.324 0 1 HIAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2c1 586896568 OGMRQXYRMRVSBK-BETUJISGSA-N 405.907 4.036 0 1 HIAF FC(F)(F)c1cnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 587001797 HGRPNSUTMZFRMF-UHFFFAOYSA-N 410.197 4.332 0 1 HIAF COc1cccc(-c2cc(CC(=O)N3CCOCC3)nc3c2oc2ccccc23)c1 587362463 FOLAXNRVYGBAAC-UHFFFAOYSA-N 402.450 4.058 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587424857 WLVLHVUZYHZHAW-JRKKULHRSA-N 401.409 4.015 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(C[C@H]1COCCN1C(=O)OC(C)(C)C)CC2=O 587475490 MIAHTIHPPOITMF-WNSKOXEYSA-N 419.518 4.095 0 1 HIAF C[C@]1(c2ccccc2NC(=O)CCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587513777 UHUUQVSTTRRULB-XMMPIXPASA-N 407.466 4.249 0 1 HIAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1OC 587589815 AMVYUDDVKSTMRJ-FDDCHVKYSA-N 408.406 4.126 0 1 HIAF C/C(=C\[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C 587616751 GMPCDZYHCJSBSF-PPQBYTHQSA-N 408.479 4.171 0 1 HIAF CC(C)c1nn(C)c(N(C)C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587756069 JXQNPDQLYQQNEZ-BBATYDOGSA-N 409.347 4.135 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC3CCOCC3)nc2)N1 587772096 NMGLFRODVSTEFV-FKIZINRSSA-N 421.310 4.165 0 1 HIAF COc1ccc(OC)c2c1CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587807261 KLKFHVAAYWGQJM-YBTHPKLGSA-N 406.295 4.329 0 1 HIAF COc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(C(=O)N3CCOCC3)[nH]c2c1 1857554777 WIOKNXWHTRWRAY-UHFFFAOYSA-N 404.388 4.335 0 1 HIAF COc1ccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@]2(O)c2ccc(F)cc2)cc1 1857773882 UWMDFFIWEULRBU-QHCPKHFHSA-N 408.404 4.069 0 1 HIAF COc1ccc(N(Cc2ccccc2)C(=O)OC(C)(C)C)c(C(=O)N(C)OC)c1 61948196 TYJBXIBJZJDXLQ-UHFFFAOYSA-N 400.475 4.270 0 3 HIAF CN(CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1nc2ccccc2s1 1482426 MVAJTSXLFIXXAM-ATVHPVEESA-N 411.508 4.135 0 1 HIAF COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)c(C)n(CCN(C)C)c12 13817337 GOTMKWHLCZVWNF-HGMMTPDKSA-N 411.590 4.465 0 1 HIAF CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccccc21 26745940 OWHDUHNEPXQFOQ-JOCHJYFZSA-N 416.506 4.392 0 1 HIAF O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccccc3)cccc21 28132342 WWCIYLXNRVTMRO-UHFFFAOYSA-N 406.507 4.047 0 1 HIAF COc1ccc(CCNCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 28640996 KKDHSNUYYGLFOL-UHFFFAOYSA-N 402.538 4.166 0 1 HIAF O=C(Nc1ccc(I)cc1)c1ccc(C(=O)C(F)(F)F)cc1 29040498 WGCIJYPPGNCWFC-UHFFFAOYSA-N 419.140 4.289 0 1 HIAF COc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1OC 40896818 MHQBXKNSIPQDAQ-UHFFFAOYSA-N 415.467 4.084 0 1 HIAF CCOc1cccc(C2(N3CCN(c4cccc(OC)n4)CC3)[C@H]3CC(C)C[C@H]32)c1 96272391 TUAILPCAUJWQFS-RZSAXGJXSA-N 407.558 4.182 0 1 HIAF CC(=O)NC1C[C@H]2CC[C@H](C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1 101597660 KVRXDZGSMIJSDR-RTBURBONSA-N 422.554 4.158 0 1 HIAF CC(=O)N1C[C@@H]2C[C@@H]1CN2Cc1cc2ccc(Oc3nc4cccnc4s3)cc2o1 101656228 QWVGJGRTJOMOTI-JKSUJKDBSA-N 420.494 4.035 0 1 HIAF CCn1ncc2cc(-c3cc(=O)n4ncc(-c5nc6ccccc6s5)c4[nH]3)ccc21 143088914 OIABXDYWIUQZST-UHFFFAOYSA-N 412.478 4.336 0 1 HIAF Cn1cc(-c2cnc3[nH]cc(-c4cc(C(C)(C)c5ccccc5)nc(N)n4)c3c2)cn1 169700741 UGXJFKZXSYFLGI-UHFFFAOYSA-N 409.497 4.329 0 1 HIAF CNc1nc(Nc2cc(OC)c(-c3cnn(C)c3)cc2Cl)ncc1C(F)(F)F 169704351 BMNUPQSMJLWJJD-UHFFFAOYSA-N 412.803 4.343 0 1 HIAF COc1ccc(SCc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc2)cc1 199940788 KIKKSUSITFHDDX-UHFFFAOYSA-N 417.556 4.139 0 1 HIAF Cc1ccccc1[C@H]1[C@@H]2CCc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 299868637 RZBJOVUTEDIEQN-VWNXMTODSA-N 417.534 4.170 0 1 HIAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Br)c(C)c2[nH]1)C(C)C 586933693 WJUSOBGCVXUFBN-CQSZACIVSA-N 402.358 4.050 0 1 HIAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 586951785 ZLSHTVJMDILBTC-UHFFFAOYSA-N 400.485 4.159 0 1 HIAF CC(=O)N[C@H](Cc1nc2cnc3ccccc3c2[nH]1)c1ccc(Br)cc1 586985516 NKKIVPMUUDHWRD-QGZVFWFLSA-N 409.287 4.294 0 1 HIAF O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cs1)c1cccs1 587019600 PBVYWKYEGXQCNG-UHFFFAOYSA-N 409.418 4.338 0 1 HIAF Nc1ncc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(-c2ccccc2Cl)n1 587060336 BFORMQJYGVWSES-UHFFFAOYSA-N 401.760 4.244 0 1 HIAF Fc1cnc(Br)c2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 587120151 UJSQTTPDRBGYQK-UHFFFAOYSA-N 418.192 4.002 0 1 HIAF O=C1COc2cc3[nH]c([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)nc3cc2N1 587152200 XMPTZLWYDWMDAX-OAQYLSRUSA-N 407.376 4.340 0 1 HIAF O=C(O)c1cc(F)cc2nc(-c3cc(I)ccc3Cl)[nH]c12 587183507 WPRWTNLCATYXON-UHFFFAOYSA-N 416.577 4.325 0 1 HIAF CC[C@@H](c1nc2cc(F)c(F)c(F)c2[nH]1)n1cc(I)c(C)n1 587185938 QGEXRPUGXWKZNV-JTQLQIEISA-N 420.176 4.089 0 1 HIAF CNS(=O)(=O)c1sccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209946 YENGYOJXXOVFIO-UHFFFAOYSA-N 406.488 4.083 0 1 HIAF CC(C)(C)C(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587337723 BLSKIJIZOOKREW-FQEVSTJZSA-N 411.473 4.298 0 1 HIAF CCOC(=O)[C@H](C(C)C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345377 FHKSDQBYAWHORE-SXWKCWPCSA-N 400.446 4.484 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(Br)cc1)O2 587373955 WDFQBLBXODKFSG-LJQANCHMSA-N 404.260 4.065 0 1 HIAF COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@H](c1ccccc1)O2 587407815 FDNKTBYKUQWIBE-DHLKQENFSA-N 415.445 4.149 0 1 HIAF COc1cccc(N(C(C)=O)c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)c1 587414296 UEXHSXLIQHCQFH-FQEVSTJZSA-N 423.494 4.433 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccc(OC(F)F)c1)[C@@H](C2)C3=O 587424374 YMVLFMBPNYQNBZ-DLMMLCEKSA-N 401.409 4.015 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Br)cc(C)cc21 587460109 ROTDYICCLCYBTA-HXUWFJFHSA-N 416.271 4.228 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1ccnc1)c1ccc(F)cc1 587570040 JYKKRFSNCLWTFK-XUZZJYLKSA-N 416.408 4.285 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)nc1F 587573256 YPMPEUOOPPNDMY-DENIHFKCSA-N 406.413 4.229 0 1 HIAF CCO[C@H](C)c1ccc([C@]2(CN)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587579789 QCDQMPHSUNVTPP-PKHVTESESA-N 419.477 4.306 0 1 HIAF CCOc1ccc(-c2nn(-c3ncncc3Cl)c(=O)c3ccccc23)cc1OCC 587668939 PFPZVPBDBRDSRS-UHFFFAOYSA-N 422.872 4.294 0 1 HIAF COC(=O)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587698837 JVNBGVUACPXUNX-MLCYQJTMSA-N 412.686 4.192 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCN(C)C)cc2)N1 587739098 FMDJHFNTMBLJTQ-XCLFUZPHSA-N 407.327 4.152 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCN(C)C)c2)N1 587743135 VUBKMKWISMFRGN-RBZFPXEDSA-N 407.327 4.152 0 1 HIAF CCO[C@H](C)c1ccc([C@@]2(CN)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587751916 ZZZMEMOYAHFCDO-PXIJXODZSA-N 421.354 4.422 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccccc2C)n1 587872441 MNWBQZNUAJMWQH-UHFFFAOYSA-N 420.444 4.318 0 1 HIAF O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccc3ccccc3c2)n2ccccc12 653718350 KNEGRRKSMBCHGM-QHCPKHFHSA-N 423.516 4.148 0 1 HIAF CCCCN[C@@H](c1cc2cc3c(cc2nc1O)OCO3)P(=O)(OCC)OCC 1857648951 ICSNDASYGIGGIF-LJQANCHMSA-N 410.407 4.324 0 1 HIAF O=C(NN1C(=O)CS[C@@H]1c1c(F)cccc1Cl)c1nsc2ccccc12 1857770701 DQJDHKDLBNWYBC-QGZVFWFLSA-N 407.879 4.008 0 1 HIAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)c4ccco4)nc3[C@@H](C)[C@@H]21 2356638037 PNAPMQNOFRGBAP-LIVJEQATSA-N 400.500 4.242 0 1 HIAF O=C(CC[C@@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1)NCc1ccccc1F 13659300 OWVXTTOMNOJETN-INIZCTEOSA-N 404.913 4.493 0 3 HIAF O=C(N[C@@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(F)cc1 199410928 KHFGZDMFMUBJSI-GOSISDBHSA-N 408.395 4.156 0 3 HIAF CSc1ccccc1NC(=O)C(C)(C)n1cc(-c2ccc3c(c2)OCCO3)cn1 205234126 PRJOHFJAXWYYMY-UHFFFAOYSA-N 409.511 4.417 0 3 HIAF OC1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2CCCC1(c2ccc(F)cc2)OCCO1 1641771 FBUQIOZUBBLBJP-VSGJHWFKSA-N 411.517 4.320 0 1 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 4037782 UHOYXVCERVTWJE-AZUAARDMSA-N 411.914 4.392 0 1 HIAF CC[C@@H](C(=O)Nc1ccccc1F)N1C(=O)CN=C(c2ccccc2)c2ccccc21 6769261 KBIJOCKWKSBPRM-NRFANRHFSA-N 415.468 4.427 0 1 HIAF Cc1cccc(Cl)c1Nc1nc2ccc(N3C[C@H](C)N[C@H](C)C3)nc2n2cncc12 13582052 OUHRNSKWYMMRQI-GASCZTMLSA-N 421.936 4.170 0 1 HIAF CCN(CC)CC(=O)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1 26673897 RRELFEOICVTVEU-UHFFFAOYSA-N 412.921 4.404 0 1 HIAF CSc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOCC4)ccc32)cc1 28893183 XYYGFCDTBHAUSN-DEOSSOPVSA-N 412.599 4.087 0 1 HIAF in-vivo CC(C)=CCc1c(O)c2c(c3c1O[C@@H](C(C)(C)O)C3)O[C@H](c1ccc(O)cc1)CC2=O 34165792 UICPJXWESAHQFX-VQTJNVASSA-N 424.493 4.387 0 1 HIAF biogenic CN1CCN2c3c(cccc31)[C@@H]1CN(CCCc3noc4cc(F)ccc34)CC[C@@H]12 34324164 ZJYUQATUAGWNGI-FPOVZHCZSA-N 406.505 4.027 0 1 HIAF O=C(CSc1ccccc1)Nc1c(Cl)ccc2nc(N3CC[C@H](O)C3)ccc12 43059659 UPRXMPSPUSMLAQ-AWEZNQCLSA-N 413.930 4.190 0 1 HIAF COCCn1c(S)nnc1-c1cnc2c(C(F)(F)F)cccc2c1NC1CC1 45288070 BRQVINZNHOJDLV-UHFFFAOYSA-N 409.437 4.022 0 1 HIAF Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C[C@H](O)COc1ccccc1 72182767 LPMOTVJHIAHCNT-FQEVSTJZSA-N 413.949 4.073 0 1 HIAF O=C(C1CC1)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 72184401 GGCAZZNQYGVTKI-HXUWFJFHSA-N 403.448 4.180 0 1 HIAF Cc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100633073 MBLXBNBLRGWUNA-DNVCBOLYSA-N 419.550 4.160 0 1 HIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](F)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118919943 ZQZFTIODRGJPCF-GDYCBZMLSA-N 410.570 4.426 0 1 HIAF COc1cc(-c2nc(N[C@@H](C)c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1 142022793 KWTBKKOEOLOHAL-HNNXBMFYSA-N 406.465 4.297 0 1 HIAF C[C@@H]1CCCC=CCCC(=O)C[C@@H](O)CC=CC=C[C@@H](O)CC=CC=CC(=O)O1 299808428 KMKZBIGDFUKDCN-XPNTWCBSSA-N 402.531 4.124 0 1 HIAF Cc1ccc(C)c(N2C(=O)Cc3c(n(C)c4ccccc34)[C@H]2C(=O)NC(C)(C)C)c1 299824373 GUMNCVJNYCFGDX-QHCPKHFHSA-N 403.526 4.340 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(CCSCC(=O)Nc3ccc(C)cc3)nc2c1 586970229 IUHVMNYLDNDZNX-UHFFFAOYSA-N 417.918 4.226 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c1 587027803 HGXGOFKSRHUYII-UHFFFAOYSA-N 415.544 4.020 0 1 HIAF CN1CCN(c2ccc3[nH]c(-c4ccc(-c5ccc(Cl)nn5)cc4)nc3c2)CC1 587088299 WNAZCZBUQZOOBM-UHFFFAOYSA-N 404.905 4.092 0 1 HIAF Fc1cncc(Cl)c1Cc1nc2c(Br)cnc(Br)c2[nH]1 587175735 GJRGPKYAZJIASP-UHFFFAOYSA-N 420.467 4.261 0 1 HIAF CCc1ccccc1NC(=O)c1nc2c(Br)ncc(Br)c2[nH]1 587241368 UUYJHFHQZFTSFD-UHFFFAOYSA-N 424.096 4.298 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(N3CCOCC3)cc1)O2 587397963 CWWMESCIZHUBNM-SANMLTNESA-N 414.505 4.323 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N3CCOCC3)nc1-c1ccccc1)O2 587413158 MYWHDVOKRCECAC-LJQANCHMSA-N 421.522 4.244 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2c(C(F)(F)F)cccc21 587463933 DLZQBYYBWJIHTI-HXUWFJFHSA-N 405.372 4.201 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(N)c(C(=O)OCC)c1C)CC2=O 587491099 IGNROFYKLFPHKX-NRFANRHFSA-N 403.500 4.354 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCS(=O)(=O)c3ccc(Cl)cc31)CC2=O 587492184 NLJBHYYQSNZUQZ-FQEVSTJZSA-N 406.887 4.036 0 1 HIAF O=C(O)/C=C\C1=COc2ccc(F)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587510943 ZGBPGZYODYEQFX-BNHFJAFVSA-N 406.409 4.482 0 1 HIAF Cn1c(C(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587577744 ORPALFVPNCLINX-WMZHIEFXSA-N 415.401 4.285 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(CN2CCOCC2)CCCCC1 587591503 FQAYTPZJRIIQLW-URXFXBBRSA-N 423.509 4.005 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2nccn2C)N1 587729062 GMRRQTNPHNIXNG-YUNKPMOVSA-N 418.285 4.287 0 1 HIAF CC(C)N1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587769058 MMRXZHIAEUAVGU-ODXCJYRJSA-N 403.295 4.121 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(Cc3cccnc3)CC2)N1 587770231 ROHRJEGMXDKMMA-SPLOXXLWSA-N 418.354 4.471 0 1 HIAF CCC[C@H](CC1(c2nc3cnnc(O)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782575 UWIPZBJQIADATN-QGZVFWFLSA-N 408.502 4.420 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)O)nn3ccccc23)N1 587798355 VDHYHXDBMYRXCS-ADLMAVQZSA-N 418.310 4.087 0 1 HIAF CCc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(S)n1 587844055 LSZALFRXVABWRY-LZVRBXCZSA-N 410.356 4.335 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)s2)N1 587851843 CVMSMZARHDMGMH-SREIQFSDSA-N 406.118 4.431 0 1 HIAF O=C(c1cccc(I)c1)n1nc2cc1Oc1ccc(F)cc1-2 587873509 GOHNJUUVUVGOBW-UHFFFAOYSA-N 406.154 4.088 0 1 HIAF O=C1Nc2nc(NCc3ccccc3)nc(O)c2C[C@@H]1c1c(Cl)cccc1Cl 653919221 BNXZZKOCGKUNCB-GFCCVEGCSA-N 415.280 4.380 0 1 HIAF C[C@@]1(c2cccc(-n3cccc3)c2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962625815 CZBCURUDQHBVII-UWJYYQICSA-N 416.399 4.238 0 1 HIAF O=C(Nc1sc2c(c1C(=O)NCc1ccccn1)CCCCC2)c1ccccc1O 1857638725 ABSMVOYIYRGTDW-UHFFFAOYSA-N 421.522 4.300 0 1 HIAF COc1ccc(-c2ccc3ncnc(N[C@H]4CCN(C(=O)OC(C)(C)C)C4)c3c2)cn1 1857653544 QIWKFCFWIZPVDJ-KRWDZBQOSA-N 421.501 4.122 0 1 HIAF O=C(Nc1ccc(C2(C(=O)NC3CCOCC3)CCC2)cc1)c1cccc(Cl)c1 1911585456 OOIDIBXKCRGNEG-UHFFFAOYSA-N 412.917 4.309 0 1 HIAF CCC(C)=CC(=O)O[C@@H]1C=C2[C@H](OC)O[C@H](OC(C)=O)[C@@H]3CC[C@@H]4C(C)(C)[C@H]1C[C@@]234 2356437550 WYBPMCYBIZBVKA-PGAMQDHESA-N 418.530 4.145 0 1 HIAF COc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(OC)cc4)no3)C2)cc1 1362817 YYRWSZVCJBDNDT-MRXNPFEDSA-N 408.458 4.165 0 3 HIAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1OC 4204819 NPJQGKYGCVXUIF-FYYLOGMGSA-N 420.465 4.095 0 1 HIAF O=C(O)C[C@@](O)(CSCCCCCCc1ccc(-c2ccccc2)cc1)C(=O)O 13758236 LJAJLOCYYSMBMX-HSZRJFAPSA-N 416.539 4.480 0 1 HIAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N3CCC[C@H]3C2)cc1OC 29405458 IWBAJYUYVTZPJH-KRWDZBQOSA-N 409.482 4.027 0 1 HIAF Cn1c(/C(=C/c2ccc(Cl)cc2Cl)C2=NC(=O)CS2)nc2cccnc21 33702849 OPMROFGEEZODAK-GHXNOFRVSA-N 403.294 4.488 0 1 HIAF C[C@H](CC(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1)CC(C)(C)C 40391315 BBJGEALTXUKPHL-VVGSNODYSA-N 408.922 4.407 0 1 HIAF NCCCCCCNCc1c2c(nc3ccccc13)-c1cc3ccccc3c(=O)n1C2 45339999 GKHQAEZITSKVSG-UHFFFAOYSA-N 412.537 4.187 0 1 HIAF O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(F)c(F)c2)cc1 49792592 JYOJZLONKKFYQN-UHFFFAOYSA-N 413.489 4.294 0 1 HIAF CCCCCC(=O)N1C[C@@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(Cl)cc1 72141089 IJAKDSXXAILQSP-QHAWAJNXSA-N 416.953 4.265 0 1 HIAF COc1cccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccco3)n2)c1OC 82165926 PDDZYMGLUCIJPV-UHFFFAOYSA-N 406.442 4.372 0 1 HIAF C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2[C@H]1CCOC1)[C@H](O)[C@@H]1OC[C@]2(C)CCC(=O)[C@@]3(C)[C@@H]12 95592823 ARKGGIVBWHHQPU-FRXFGTQLSA-N 414.586 4.157 0 1 HIAF Cc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c(=O)n(CC(=O)O)[nH]c23)cc1 96269822 OIWDPSUMEGIMMM-UHFFFAOYSA-N 424.403 4.247 0 1 HIAF CC(C)C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](CC(C)C)C(=O)N1 103265335 SEPXRUFMMDATRK-KXBFYZLASA-N 419.472 4.021 0 1 HIAF Cc1ncoc1COc1ccc(Cl)cc1NC(=O)c1csc2cncnc12 113650435 WRORDPRTLRAARE-UHFFFAOYSA-N 400.847 4.472 0 1 HIAF CC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCCCCC(=O)NO 147372943 ZESWGGXOLXHHNG-UHFFFAOYSA-N 424.592 4.041 0 1 HIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccnc(-c2ccccn2)c1 167047733 CNKQUIXONISKEO-FQEVSTJZSA-N 403.482 4.415 0 1 HIAF O=Nc1c([C@H]2C(=O)Nc3ccc(I)cc32)[nH]c2ccccc12 169685116 ZJVHTWKAZJOGEG-ZDUSSCGKSA-N 403.179 4.254 0 1 HIAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cc1-c1cccc(F)c1 261075164 ATNUXEXEWZQNQZ-FQEVSTJZSA-N 408.429 4.151 0 1 HIAF COC(=O)c1cccc(-c2cc(C)c3ncc(C(N)=O)c(Nc4cccnc4)c3c2)c1 261159906 QQVDLWFTDAQZCQ-UHFFFAOYSA-N 412.449 4.234 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CCNC(=O)/C=C/c2c[nH]c3ccccc23)cc1 473109472 SAMAUVZSGFBMKG-BUHFOSPRSA-N 424.504 4.375 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C)c2[nH]1 586934631 CLHAALGUFHQCRQ-QGZVFWFLSA-N 403.573 4.261 0 1 HIAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587154180 LZLSSSJCEJWCJD-UHFFFAOYSA-N 420.828 4.357 0 1 HIAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Cl)ncc2[nH]1 587168206 VESBVAXEOSFXOE-UHFFFAOYSA-N 408.867 4.280 0 1 HIAF CCc1cc(=O)oc2cc(O[C@H](C)[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc12 587410604 YRUKOFPEKWWIPR-SHACYNPGSA-N 407.466 4.437 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc3c(c1C)C(=O)N/C(=C\Cl)N3)O2 587412998 LASDCZLKMKJSLI-KRSRXSRCSA-N 403.891 4.021 0 1 HIAF CCC[C@H]1C(=O)N2CCCc3cccc(c32)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437147 DOZRPFLHFBJSOH-OSWQYVSFSA-N 403.478 4.047 0 1 HIAF COc1ccc([C@@]2(CC(C)(C)CC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444619 WMXHLITXDFYRRE-HOYKHHGWSA-N 410.466 4.238 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(c1c[nH]c(C(=O)O)c1)CC2=O 587485364 RXHHCNCXEQHPPQ-DEOSSOPVSA-N 421.449 4.289 0 1 HIAF Cc1ccc(Cl)c2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551692 ILHUBOYMCLOTQF-VGSWGCGISA-N 407.809 4.163 0 1 HIAF C[C@]1(c2ccc(N3CCCC3)nc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573524 ZEHXZXLGVUYAQZ-HYBUGGRVSA-N 420.440 4.404 0 1 HIAF O=C(O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587576890 LCUQIFXSOJUFAN-ZJSXRUAMSA-N 415.401 4.134 0 1 HIAF CCOC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587597718 RRBNIHPZUPNWGS-RDPSFJRHSA-N 404.418 4.446 0 1 HIAF Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2c(C)noc2n1 587659996 LZOIPZODMGRAFP-UHFFFAOYSA-N 414.396 4.044 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)ccc(F)c2C(=O)O)N1 587716016 DALXEFXKKFJBGD-ASCAZGACSA-N 414.221 4.362 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCOC3=O)c2)N1 587764275 CVXPBWFYBMJWML-MPBGBICISA-N 419.294 4.343 0 1 HIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCCO 587798036 NNQSWYDWHQFXNR-ORAYPTAESA-N 408.311 4.200 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCNCC2)N1 587798725 VPWJUIXBDPPPAO-SZNDQCEHSA-N 403.339 4.366 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(Cl)nc2[nH]cnc12 587863963 AGEACHYBGGQOGT-UHFFFAOYSA-N 408.771 4.277 0 1 HIAF Oc1cc(-c2ccccc2Br)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 587944586 CWUIUSQDMXSLRX-UHFFFAOYSA-N 415.222 4.242 0 1 HIAF CO[C@H]1CCN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)C1 653664349 DHKQQYYRRQNKQA-IBGZPJMESA-N 408.571 4.295 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2c[nH]c3cnc(Cl)cc23)N1 962708378 YZWRYHYVJMBCMB-BBRMVZONSA-N 413.758 4.063 0 1 HIAF CCCNS(=O)(=O)c1ccc([C@@]2(C)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962942639 FZISXGXEZGTZRZ-UZUQRXQVSA-N 411.571 4.044 0 1 HIAF NCc1ccc(COc2ccc3c(c2)CCC[C@]32c3c(N)ccc4c3CCN2C4)cc1 962958357 OGOWPNRKYSNLRP-HHHXNRCGSA-N 411.549 4.258 0 1 HIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(-n3cnc4ccccc43)cc2)N1 963223435 ATSXKEAGBQBVIU-NOZRDPDXSA-N 420.472 4.262 0 1 HIAF COc1ccc([C@@]2(CC(F)(F)F)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963231564 NDKCQRXOAIHWEL-TZIWHRDSSA-N 416.399 4.038 0 1 HIAF COc1cccc([C@@]2(c3cccc(C)n3)N[C@H](C)Cc3c(OC)ccc(OC)c32)c1 963634610 KWCQVWHKTWXESY-NSYGIPOTSA-N 404.510 4.242 0 1 HIAF O=S(=O)(NCc1ccco1)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C(F)(F)F 1772621798 ZBPOEOJUGLPFAD-GDZNZVCISA-N 414.449 4.377 0 1 HIAF COc1cc(-c2nnc3ccc(-c4ccc(SC)cc4)nn23)cc(OC)c1OC 1772654418 FGEJWTVPFVWQQJ-UHFFFAOYSA-N 408.483 4.206 0 1 HIAF O=C(NCCCCOc1ccc(C(=O)O)cc1)Nc1ccc(OC(F)(F)F)cc1 1857645288 VGUKZSLXBVJRLW-UHFFFAOYSA-N 412.364 4.264 0 1 HIAF Cc1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1ccc(C(=O)O)cc1 1857748928 MXTLBJFCRXQEFP-UHFFFAOYSA-N 422.462 4.216 0 1 HIAF CCCCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358369 IAZPXLCQCRLWJX-QFIPXVFZSA-N 411.498 4.457 0 1 HIAF CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2[C@@H]1O3 13474836 OUVBYPZNWMJZAC-QHCPKHFHSA-N 406.482 4.365 0 1 HIAF Cc1c(OC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)ccc2c3c(c(=O)oc12)CCC3 16031501 PQNFOQFTVLFDMQ-GOSISDBHSA-N 415.486 4.045 0 1 HIAF biogenic CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C\c2ccc3ccccc3n2)C(=O)O1 42922503 DRXBCTFIEPSCHE-MFGYPMPUSA-N 411.498 4.056 0 1 HIAF O=C(NCCN1CCCC1)c1cc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)o1 45186619 GEYMTTKWMFQGFL-UHFFFAOYSA-N 411.889 4.193 0 1 HIAF COC1(C(F)(F)F)C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 49033458 KKHHXBXVLWYZEV-MVVMVCHASA-N 405.482 4.247 0 1 HIAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@@H]1c1ccc(Cl)cc1 49072139 ZRCZGEIHIFDAPM-GOSISDBHSA-N 408.310 4.205 0 1 HIAF C=CC1=C(C(=O)N2CCN(c3ccccc3Cl)CC2)[C@@H](c2ccc(OC)cc2)OC1 73223323 OGACMBPLTAURAE-HSZRJFAPSA-N 424.928 4.251 0 1 HIAF CCN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccco2)n1 82142041 ZGHDHEBOVZSIPI-UHFFFAOYSA-N 404.392 4.142 0 1 HIAF Cc1ccc(-c2ccc(N)nn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 84710454 UCIZAIFZGCLTCQ-UHFFFAOYSA-N 411.465 4.261 0 1 HIAF OC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 95873234 IBZUTKZKACVZJU-BHDDXSALSA-N 408.508 4.431 0 1 HIAF Cc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175188 BOTJUSZAYZXPQS-KBXCAEBGSA-N 400.931 4.322 0 1 HIAF Cc1nccn1-c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 169704630 FWKFFHDXORZIAF-UHFFFAOYSA-N 414.391 4.179 0 1 HIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC[C@H](C)O)no2)cc1C#N 202707701 FBXBFQOUAAFYCM-BTYIYWSLSA-N 418.497 4.020 0 1 HIAF O=C(O)[C@H]1C/C(=C2/CCN(c3ccccc3)C2=O)c2c(Cl)cc(Cl)cc2N1 204311459 FCMZVVRKJTVTQK-TUQDCPSNSA-N 403.265 4.453 0 1 HIAF Cc1ccc([C@@H](CNC(=O)c2cccc(F)c2Cl)N2CCC(F)(F)CC2)cn1 207640532 IWMLZDIDWYRXSJ-QGZVFWFLSA-N 411.855 4.385 0 1 HIAF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCCC[C@@H]2C)cn1 207666948 STLVAHIPHWAEBN-UGSOOPFHSA-N 407.345 4.437 0 1 HIAF COC1CCC2(CC1)Cc1ccc(OCC3CC(F)(F)C3)cc1[C@]21N=C(C)C(N)=N1 210676219 MBVITGGTLKHHQT-MUEFNIMKSA-N 417.500 4.227 0 1 HIAF Cc1[nH]nc(C2CC2)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)c(F)c2)CC1 223044993 AYMIBMGURKMJHT-UHFFFAOYSA-N 411.930 4.031 0 1 HIAF CC1(NS(=O)(=O)c2ccccc2-c2ccc(-c3ccc(N)nc3)c(F)c2)CCC1 224787280 MXUGRSAPZKWIDO-UHFFFAOYSA-N 411.502 4.358 0 1 HIAF CCCCC[C@@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(CO)c2/C=C/[C@@H]1O 238768345 UQFUUOPYXCPQFQ-QOWNCMNNSA-N 412.482 4.479 0 1 HIAF COc1ccc2c(-c3cnc(O)c(-c4cc(OC)c(OC)c(OC)c4)n3)c[nH]c2c1 299826303 FSSVUOAMGLPSIE-UHFFFAOYSA-N 407.426 4.032 0 1 HIAF O=C(NCc1ccc(-c2ccsc2)cc1)c1nc[nH]c1C(=O)Nc1ccc(F)cc1 299829637 UUSUOGFRIARTIN-UHFFFAOYSA-N 420.469 4.460 0 1 HIAF CC(C)Nc1ccc(-c2ccccc2)c(CC(=O)NCc2ccc(C(=N)N)cc2)c1F 473149167 IJHKSKJRRNOZMS-UHFFFAOYSA-N 418.516 4.456 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@H](C)c3ccc(C)cc3)nc2c1 586892988 YPEPDSCYXAJHFB-PIGZYNQJSA-N 403.276 4.258 0 1 HIAF Fc1cnc(Br)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 587074996 AYWHDNYITQDOBY-UHFFFAOYSA-N 422.645 4.348 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)cc2F)c1 587143491 FRLIIJMQEMANOX-UHFFFAOYSA-N 418.384 4.325 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 587328842 KKVQECZMVPMAOP-UGKGYDQZSA-N 409.800 4.391 0 1 HIAF CCn1ccc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587338260 CASBOVVFZBBXFM-GPTCXVGRSA-N 421.472 4.077 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccc(C(F)(F)F)cn3)c1C)O2 587384245 YVKKBIKINLPBJS-HXUWFJFHSA-N 416.403 4.366 0 1 HIAF CCOC(=O)CCc1c(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccn12 587435469 HILUBHYRNVMYHL-CRICUBBOSA-N 419.477 4.241 0 1 HIAF Cc1ccccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581267 VIQACJRVFPHAAI-ZJSXRUAMSA-N 403.434 4.450 0 1 HIAF CCOC(=O)C[C@]1(c2ccc(C)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617394 PCSBHGVSTPCHKL-NFBKMPQASA-N 408.406 4.104 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccco1)[C@H](O)c1ccco1 587619332 WXXQMOZEGBUSCC-WWPVKYPJSA-N 404.374 4.169 0 1 HIAF Cc1cc(C)nc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587755685 PSQXHNAFIHINBQ-ORAYPTAESA-N 415.310 4.409 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)OCc3ccccc3)C2)N1 587802453 SDBZKXGWFCAIQQ-DTKABELVSA-N 418.306 4.471 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)c3ccccc32)N1 587826333 KLTGJDIODVJAMY-STYXZAMGSA-N 404.279 4.328 0 1 HIAF Cc1ccc([C@]2(/C=C/C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587826942 JWAHSJWALVDTEB-OCIFBBHSSA-N 404.279 4.315 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc(N(C)C)cc1 587868932 XHHANJYMGQKUBY-UHFFFAOYSA-N 405.380 4.119 0 1 HIAF CN(C)C(=O)c1ccc(N(CC2CCCC2)C(=O)c2cc(Cl)c(O)cc2O)cc1 653768471 PEBSAFYPABRJIH-UHFFFAOYSA-N 416.905 4.290 0 1 HIAF CCOC(=O)c1ccc([C@@]2(C3CCCC3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963037444 VONUWQDXDZDTCW-HFJWLAOPSA-N 418.537 4.350 0 1 HIAF CCN(CC)CCN=c1c2c(n(C)c3ccccc13)-c1cc(OC)c(OC)cc1CC2 1772574934 FUORUWWYIABHBZ-UHFFFAOYSA-N 419.569 4.204 0 1 HIAF O=C1[C@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(Cl)c(F)c1 1772629743 DWVPNVCSRAPCCL-OAQYLSRUSA-N 402.897 4.165 0 1 HIAF CCn1c([C@](O)(c2ccc(C)cc2)c2ncccc2C)nc2ccc(CCCO)cc21 1857588784 IJESSUBSFUBJCD-SANMLTNESA-N 415.537 4.277 0 1 HIAF O=C(NCCCN(Cc1ccccc1)c1ccccc1)c1ccc(-n2cccn2)nc1 1857750067 ZGJINBCTMCLKSE-UHFFFAOYSA-N 411.509 4.094 0 1 HIAF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc1 767498 SHANLFTULBQYEI-FYYLOGMGSA-N 404.466 4.129 0 1 HIAF O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959210 HJULFTQEKBTIGR-UNMCSNQZSA-N 418.884 4.113 0 1 HIAF CC(C)N1CCC(Oc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1 22933594 QZVUVDIPJNQXBD-UHFFFAOYSA-N 407.602 4.256 0 1 HIAF C[C@@H](C1CC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823215 WZELMIGAHJXWFE-LBPRGKRZSA-N 400.327 4.480 0 1 HIAF COc1ccc2c(=O)n(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(C)nc2c1 45484665 KRBPBDKNTPVHRB-UHFFFAOYSA-N 419.525 4.098 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1 68248067 CGXSPIMMMGDAPS-UHFFFAOYSA-N 424.785 4.412 0 1 HIAF COc1cc([C@@H]2CC(c3ccc(Cl)cc3Cl)=NN2C(C)=O)cc2nc(N)oc12 96934807 BUQWAEDDCJYTLE-INIZCTEOSA-N 419.268 4.423 0 1 HIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(-c2noc(C)n2)c1 167365022 LQQRWVVSBRNSJK-KBXCAEBGSA-N 407.470 4.172 0 1 HIAF O=C1C[C@@](c2ccccc2)(c2ccncc2)OC(=O)[C@H]1SCCc1ccccc1 169684733 FTFCWRGMEWBWBU-LADGPHEKSA-N 403.503 4.186 0 1 HIAF Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@H](CO)c1ccccc1 205606549 HFYQYNACOYCCNL-FQEVSTJZSA-N 407.514 4.065 0 1 HIAF O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(C(F)(F)F)cc1 221947385 KPPMZPXVFQSIFU-INIZCTEOSA-N 404.171 4.425 0 1 HIAF C[C@@H]1CC[C@@]2(C)C(COC(=O)CC(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CCOC1=O 238779632 FNONBYOWFSCKDW-CMERVKLISA-N 404.503 4.047 0 1 HIAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 299879004 KCCBCRWZISEWHW-XXWQXCTJSA-N 416.521 4.455 0 1 HIAF CCOC(=O)/C(=C\N(C)C)c1nc2cccc3c2c(c1CC)-c1ccccc1C3=O 587104780 WCFJRZJJXTVPEG-RGEXLXHISA-N 400.478 4.474 0 1 HIAF Fc1cc(CCc2nc3ccc(I)cc3[nH]2)cc(F)c1F 587138025 CBZLHVBEWNDBEH-UHFFFAOYSA-N 402.157 4.370 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(C)(C)C 587206100 VGQRQOLSYAIZNJ-KRWDZBQOSA-N 401.486 4.370 0 1 HIAF Nc1ncc(-c2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cn1 587255119 YMCUMCAJYLBYTP-UHFFFAOYSA-N 406.318 4.318 0 1 HIAF COc1ccc([C@@]2(c3ccc(O)cc3)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587401420 XXOAAVOFIAEOLL-DEOSSOPVSA-N 405.450 4.209 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ncc1Br)[C@@H](C2)C3=O 587424064 WVCDRSZOTDVTIC-QFYYESIMSA-N 414.177 4.360 0 1 HIAF COc1cc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587592762 KFPXFWVRQPNQEG-ZJSXRUAMSA-N 422.433 4.295 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Br)n1 587616267 ZOTPYDFDZSLDHF-CZUORRHYSA-N 404.241 4.314 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Br)c2)N1 587679858 HHFWNNTYNTWGLQ-VXJOIVPMSA-N 400.089 4.369 0 1 HIAF Cc1nc(N)sc1[C@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961774317 GHDVLBWPEMBYRZ-QFIPXVFZSA-N 414.575 4.449 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc3[nH]nc(Cl)c3c2)N1 962695965 DUMXVJFZWRTTBR-GJZGRUSLSA-N 413.758 4.063 0 1 HIAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cncc(F)c2)CC1 1772598037 NNDVZNZZIGMFGY-QAQDUYKDSA-N 416.449 4.403 0 1 HIAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356308449 UNEXLHASNFZPAF-OTWHNJEPSA-N 411.546 4.249 0 1 HIAF CC(C)CNC(=O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356612149 VJYDYOYYSFAXSI-ASYSDMAGSA-N 405.538 4.217 0 1 HIAF CC(=O)O[C@@H]1CC[C@H](O)[C@@]23C[C@@H](C[C@@H](OC=Cc4ccccc4)[C@]12C)C(C)(C)O3 2356636858 YHIPIHWCMHCVMP-JKNQRQLFSA-N 400.515 4.093 0 1 HIAF COc1ccc(C=C2OC(=O)[C@@H](Cc3ccc(O)c(Cl)c3)[C@@]2(O)C(C)C)cc1 2356715238 RSVNZCJGMZWPMU-VGSWGCGISA-N 402.874 4.198 0 1 HIAF OCCCNc1nc(-c2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 8684362 DPOZLZXSEFHNDP-UHFFFAOYSA-N 419.710 4.416 0 3 HIAF Nc1c(Cl)cc(C2=NCCn3c2c2ccc(C(F)(F)F)cc2[n+]3[O-])cc1Cl 36383498 JKMKGHBSANYJIS-UHFFFAOYSA-N 415.202 4.034 0 3 HIAF CCCCC(=O)N(C)c1c(CC)nc2c(OCC(=O)c3ccc(F)cc3)cccn12 61907387 HEFPUTVGTVQVHV-UHFFFAOYSA-N 411.477 4.451 0 3 HIAF CC(C)c1ccc(S(=O)(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)cc1 263590324 NWNPTAOXXNVKOO-QAPCUYQASA-N 422.909 4.026 0 3 HIAF O=C(O)[C@H]1C[C@H](NC(=O)N2CCc3ccccc32)c2c(Cl)cc(Cl)cc2N1 13455371 DVRSJXGXYYNCGL-LSDHHAIUSA-N 406.269 4.076 0 1 HIAF CCn1cnc2c(NCc3ccc(OC)cc3)nc(NCc3ccc(OC)cc3)nc21 13470834 ORYPWNNOYGLZJU-UHFFFAOYSA-N 418.501 4.088 0 1 HIAF CO[C@@]1(c2cc(F)cc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCO[C@H](C)C1 13589955 WXLDKPVBBUEYJC-GYCJOSAFSA-N 411.473 4.297 0 1 HIAF O=C(NCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 26029266 ZIYBVYZSWYOSQP-UHFFFAOYSA-N 410.521 4.305 0 1 HIAF COC(=O)c1cc2c(cc1Br)C=C[C@H]1[C@@](C)(C(=O)OC)CCC[C@]21C 27525153 JGRRYJDPOIUZCT-AHRSYUTCSA-N 407.304 4.500 0 1 HIAF O=S(=O)(c1ccccc1C(F)(F)F)n1cc(C2=CCCNC2)c2ccccc21 28525113 JDWKQLXSXWWWGH-UHFFFAOYSA-N 406.429 4.274 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c3c1OCO3)C[C@H](C)[C@H](C)C2 33833414 MXQNEADTXQGZEJ-OLZOCXBDSA-N 400.471 4.488 0 1 HIAF biogenic CN1CCN(CCc2ccc(C3=CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)cc2)CC1 36289125 WTJMJPZPMMIOOV-XNMGPUDCSA-N 401.598 4.012 0 1 HIAF Cc1ccc([C@@H]2CN(C)[C@]3(C(=O)N(C)c4ccccc43)[C@]23Cc2ccccc2C3=O)cc1 40874436 ZQRBXGZAPRHKAG-MLKSZZLFSA-N 422.528 4.321 0 1 HIAF CCCc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1 82187553 CKIZJGXJJQQALI-UHFFFAOYSA-N 410.541 4.058 0 1 HIAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 95877069 XNACUZIZQDXWGE-VNEHVADISA-N 423.532 4.315 0 1 HIAF N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c([C@H]3CC[C@H](O)CC3)n2)C1 100637758 HKGQXARMABOEGN-FPAYPSAMSA-N 411.521 4.045 0 1 HIAF CCN(CC)C(=O)Cc1c(-c2ccc(OCCC[18F])cc2)nn2c(C)cc(C)nc12 101669643 MDSWWISMWYFQEL-MIGPCILRSA-N 411.512 4.162 0 1 HIAF COc1ccc(-c2nc3c(C(=O)N[C@H]4C[C@@H]5CCC[C@H](C4)N5C)cccc3o2)cc1 103267888 VDBKJDOCZOVAPB-NNZMDNLPSA-N 405.498 4.249 0 1 HIAF COc1cccc(-c2nc(C)oc2C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 103291369 FBNYFNGJKUNOID-UHFFFAOYSA-N 411.889 4.274 0 1 HIAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 103871392 YJOKLFNMHRNWDK-AGGMBTAESA-N 420.469 4.367 0 1 HIAF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1)CC3=O)C=C[C@](C)(CO)O2 144724263 JBYKRTWBBLFUGO-NBGIEHNGSA-N 422.477 4.470 0 1 HIAF CC[C@@H](C)C(=O)O[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 145379015 PCZOHLXUXFIOCF-GGOIRIPRSA-N 404.547 4.196 0 1 HIAF CC[C@H](C)C(=O)O[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 202614317 PCZOHLXUXFIOCF-LHWLUEEQSA-N 404.547 4.196 0 1 HIAF O=C(OCc1ccccc1)N1CCC(c2[nH]c(=S)n3cnc4[nH]ccc4c23)CC1 205549378 AXDWMLNRKRXDCZ-UHFFFAOYSA-N 407.499 4.389 0 1 HIAF C[C@@H]1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccc2F)CC1)OCO3 206545205 JVKFMUQLFIOIAJ-MRXNPFEDSA-N 410.489 4.374 0 1 HIAF CC1=CCCN(c2nc3c(Cn4nc(C(=O)O)cc4C)cc(Cl)cc3s2)C1 208112149 UAXANUPFKSSNSO-UHFFFAOYSA-N 402.907 4.358 0 1 HIAF Cc1cnc(Cl)c2[nH]c([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc12 586938853 RNQYYPFUFWNNFV-CYBMUJFWSA-N 413.330 4.249 0 1 HIAF Cc1ccnc2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc12 586964148 WMXBOJKJFSYTSQ-UHFFFAOYSA-N 412.906 4.051 0 1 HIAF COc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1OC 587018803 PMERSVFKJWLSHM-UHFFFAOYSA-N 409.467 4.066 0 1 HIAF Cc1cnc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1 587141645 YHRIBNTVNJYXIW-UHFFFAOYSA-N 400.410 4.012 0 1 HIAF O=C1C[C@H](c2nc3cc(F)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587148567 ITTKXAHUNCMKDH-JTQLQIEISA-N 424.220 4.259 0 1 HIAF Cc1nc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2cc1Br 587160762 GIMPTPLXGKKQBA-UHFFFAOYSA-N 421.661 4.128 0 1 HIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)c(C)c(C)c3[nH]1)C2 587246197 DOGCROOTPOXBKJ-FQEVSTJZSA-N 400.320 4.294 0 1 HIAF COC(=O)c1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1Br 587375554 DLLLBGTWJOKXNL-IBGZPJMESA-N 404.260 4.007 0 1 HIAF CC(C)n1ncc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc21 587583705 WUYMESITQGTLRN-UGKGYDQZSA-N 401.422 4.421 0 1 HIAF COc1nc(N2CCCC2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587766604 OGXDVLZXROFFRK-CWTRNNRKSA-N 420.326 4.216 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C(=O)OC(C)(C)C)CC2)N1 587768850 MUJJPZVGUHMSTM-CWTRNNRKSA-N 411.315 4.472 0 1 HIAF C[C@H](O)[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 587802944 OPTKGTHDJXKLES-JGRMJRGVSA-N 403.295 4.228 0 1 HIAF Cc1ccc(-c2cc3nc(SCC(=O)c4cccs4)n(N)c(=O)c3s2)cc1 958026588 RJBFXDGMGJGFBC-UHFFFAOYSA-N 413.549 4.184 0 1 HIAF CCOC(=O)[C@@]1(c2c(C)cccc2Cl)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962563478 GLQBUIAPWBVTAU-IQMFZBJNSA-N 417.933 4.349 0 1 HIAF COC(=O)c1ccc(Br)c([C@H]2NCCc3c(OC)ccc(Cl)c32)c1 963257088 GWWKKKMJIMPWAQ-QGZVFWFLSA-N 410.695 4.133 0 1 HIAF CSc1cccc(N2C(=O)CN(c3ccccc3)C[C@@]2(C)C(=O)NC2CCCC2)c1 1772607395 HRCHBQBMBCIWDK-DEOSSOPVSA-N 423.582 4.079 0 1 HIAF COc1ccc(NC(=O)c2cc(F)c(N3CCCN(C)CC3)cc2F)cc1Cl 1857580399 HXKXNCOPUHYOSY-UHFFFAOYSA-N 409.864 4.021 0 1 HIAF CC1=C[C@H](CNC2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356302089 LRXHHWFZZNOXNK-HHEBOYGLSA-N 410.606 4.496 0 1 HIAF CC1=C[C@H](CNCCN(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 2356853282 RFGJVZXPVHSSKA-ZVDOUQERSA-N 414.569 4.424 0 1 HIAF Cc1ccccc1-c1nc(C[S@](=O)CC(=O)N[C@H](C)CCc2ccccc2)c(C)o1 5058180 RGLGEVZRXTZOIY-VPTFNQTCSA-N 424.566 4.345 0 3 HIAF Cc1ccc(Cl)cc1NC(=O)C1=CNN2C1=N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 103999632 MCHJGQTWHCYKEP-ZBFHGGJFSA-N 424.810 4.358 0 3 HIAF CCCCn1cc2c(nc(NC(=O)Nc3ccccc3)n3nc(-c4ccco4)nc23)n1 13472359 WUAXAEHITYFYHE-UHFFFAOYSA-N 416.445 4.178 0 1 HIAF O=C(NCCCCc1ccccc1)c1ccccc1CNCCc1ccccc1O 13589110 KLHZUWXDOJXNOX-UHFFFAOYSA-N 402.538 4.477 0 1 HIAF CC(C)=CC(=O)O[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 27984934 IPTAYEGJXGBMNA-NAWUPNOKSA-N 402.531 4.116 0 1 HIAF CN(C)C(=N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1 34297231 PPHVBIYZGFXZSA-UHFFFAOYSA-N 421.888 4.127 0 1 HIAF CC[C@@H](C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1)c1ccccc1 40897263 NDDKHJOXHSQFAW-HVOMYRRBSA-N 414.885 4.138 0 1 HIAF O=C1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 40956073 LVFZKDWFNZONNO-UHFFFAOYSA-N 405.250 4.213 0 1 HIAF O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)CN1CCCCC1 73167841 MUVOURKTEHUOJQ-HXUWFJFHSA-N 403.469 4.006 0 1 HIAF CN(C)C(=O)Oc1ccc2cc(C(=O)NC3CCCC3)ccc2c1Br 84706397 FLBAGGNSZQRKAU-UHFFFAOYSA-N 405.292 4.335 0 1 HIAF COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3F)cc2)c1 100109318 UWENYPRZIHDRFG-UBRQYEGLSA-N 417.484 4.473 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccnc(OC[C@@H]4CC4(F)F)c3F)C2)cc1 145756882 VWAYBWSVJJEUQF-UGSOOPFHSA-N 419.447 4.056 0 1 HIAF Cc1ccc(SCc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc2)cc1 199942324 PYGWUPDOXUMSPQ-UHFFFAOYSA-N 401.557 4.438 0 1 HIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)c(C)nc2[nH]1 586972577 INBBIQNPECBBEP-INIZCTEOSA-N 419.348 4.139 0 1 HIAF O=C(Nc1ccc(Cc2nc3cc(F)cnc3[nH]2)cc1)c1ccc(Br)o1 587008836 YYPKUTYKABRFRG-UHFFFAOYSA-N 415.222 4.296 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3c(F)ccc(F)c3OC)nc2c1 587132891 KRHFVZWKQURBSB-UHFFFAOYSA-N 411.202 4.456 0 1 HIAF Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2C 587340133 SDVFQWFVRQEDGS-XUZZJYLKSA-N 403.409 4.071 0 1 HIAF C[C@]1(CSc2nncs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372717 FZLDBUGQZRNHKD-VQIMIIECSA-N 402.472 4.293 0 1 HIAF CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431453 OTVKNCXVYHNCAB-IQGLISFBSA-N 417.461 4.347 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCN1CCCC[C@@H]1C)[C@@H](C2)C3=O 587434563 AROJQXUWGPYYCN-BLRRAGTOSA-N 407.510 4.437 0 1 HIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Cl)cn1)CC2=O 587462688 QIEJIQIWXBZYCJ-OAQYLSRUSA-N 403.862 4.207 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)C(F)F)cc1)CC2=O 587466150 MDSISWSHAWENEP-HXUWFJFHSA-N 410.438 4.222 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1cc(OC)c(OC)c(OC)c1)CC2=O 587485026 XZQHMBOXAOMQPX-QHCPKHFHSA-N 400.471 4.337 0 1 HIAF CC(=O)N(C)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587568295 BIJVQKJKFVPABE-ZJSXRUAMSA-N 403.434 4.252 0 1 HIAF CC[C@]1(c2ccc(C(=O)OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595348 RIMQZMTZFXVZDJ-HYBUGGRVSA-N 404.418 4.446 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3ccnc3)cc2)N1 587752805 GFHYZYOMZRQSNB-ZUOKHONESA-N 400.295 4.457 0 1 HIAF COc1ccc2[nH]c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587775803 ADLIMZSYRPJRRL-DGIBIBHMSA-N 417.278 4.062 0 1 HIAF COc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 587779805 WEINZWNRQWMVIZ-GIGQVBGESA-N 417.278 4.474 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1-n1cccc1 587867788 BDMADYYKUVGPHP-UHFFFAOYSA-N 412.371 4.452 0 1 HIAF COCCN(C)C(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772621951 BCTSEOORPYXGCJ-UHFFFAOYSA-N 405.376 4.159 0 1 HIAF CNC(=O)c1ccc2nc(C)c3nnc(-c4cc(OC(C)(C)C)ccc4Cl)n3c2c1 1857633615 BKLVFFTVSNAQTK-UHFFFAOYSA-N 423.904 4.443 0 1 HIAF CC=C(C)C(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)CC[C@@H](O)[C@H]2C 2356628437 TYOANDKPHLTYEY-RHSMWYFYSA-N 400.471 4.477 0 1 HIAF O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1c[nH]c2ccccc12 2911415 OTZPYCRVHJKCDF-UHFFFAOYSA-N 415.478 4.438 0 1 HIAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214680 GVTDUFDOSJYLTD-HGIWEUDGSA-N 402.535 4.129 0 1 HIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CC(=O)NCc1ccccn1)C2=O 13681877 XLAUBGGXGLESCX-QYNIVMFBSA-N 418.537 4.145 0 1 HIAF CCO[C@](CC)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O 36757873 NZZMRMMECJETRO-XMMPIXPASA-N 424.497 4.479 0 1 HIAF COc1cccc(COc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)c1 71318636 CAAPYGAYUZRWMF-UHFFFAOYSA-N 406.467 4.299 0 1 HIAF O=C(NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1)C1CCCCC1 72103127 PXXQQUVCJWZTLN-QFIPXVFZSA-N 414.500 4.005 0 1 HIAF CC(C)(C)Cc1nc2c(NCc3ccccc3)ncnc2n1CCCN1CCCC1=O 82178733 LCVNUMWZQMTLBS-UHFFFAOYSA-N 420.561 4.040 0 1 HIAF CCC(CC)CNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2 82209503 JSZATBYIDHHBFG-OAQYLSRUSA-N 424.589 4.453 0 1 HIAF Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)C[C@H]3CCCN3C5)c(=O)c2)cn1 113109747 IAQBOGSGXCSAIW-HXUWFJFHSA-N 410.521 4.220 0 1 HIAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccc(F)c4)C[C@H]3C2)n1 116823305 SJLACDBRLFYAGQ-BGYRXZFFSA-N 416.500 4.108 0 1 HIAF CC1(C)CC=C(c2cc(C3(N)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1 146963973 GOIKZFAIJSSESM-UHFFFAOYSA-N 419.529 4.092 0 1 HIAF CCOCc1ccc2c(c1)[C@@]1(N=C(SCC)N(C)C1=O)C1(CCC(OC)CC1)C2 201230417 CXJLKFGSQVGDNZ-CKRJSAQMSA-N 416.587 4.131 0 1 HIAF CCC(CC)(c1ccc2c(c1)OCCO2)c1c[nH]c2c(NS(C)(=O)=O)cccc12 202433360 GSFVAKUVWLMOLW-UHFFFAOYSA-N 414.527 4.417 0 1 HIAF O=C(O)CCCCCC(=O)N1CCc2c(n(Cc3ccccc3)c3ncccc23)C1 218187102 LXSSTTKJIZDMBP-UHFFFAOYSA-N 405.498 4.004 0 1 HIAF CC(=O)OCC[C@H]1c2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c2N1C)OCO4 238749924 WADSRLPCHRQYER-SFHVURJKSA-N 419.433 4.408 0 1 HIAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cc(C(F)(F)F)ccn3)nn21 473104957 QOLOJLRTGJOOHZ-GFCCVEGCSA-N 420.366 4.236 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Br)ncc2[nH]1 587043571 RZBZTCUHEBLXLB-LBPRGKRZSA-N 409.696 4.029 0 1 HIAF O=C(O)c1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352067 LPRCJBJYBOWHQR-URXFXBBRSA-N 404.393 4.430 0 1 HIAF COC(=O)[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355219 WWYMBZWCIUIYPL-DHLKQENFSA-N 420.436 4.435 0 1 HIAF COc1ccc([C@]2(c3cccc(N)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587392140 XCKBVTHUTWYWSF-XMMPIXPASA-N 404.466 4.086 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc3c4c(c(=O)oc3c1C)CCC4)O2 587410185 VXTUQKWXMIBOHC-RUZDIDTESA-N 419.477 4.284 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4occc4C(=O)O)c1)[C@@H](C2)C3=O 587456896 YIBFTEKSCNIUJS-HTAPYJJXSA-N 406.390 4.054 0 1 HIAF COc1ncc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC 587551835 KJMFRLFURWUOBG-QFBILLFUSA-N 413.813 4.161 0 1 HIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@]12C 587561811 MBEIZWXTTQSIKN-WLMPGLRASA-N 419.525 4.433 0 1 HIAF COc1ccccc1[C@@]1(CNC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570583 JNGOULWSFPLOJJ-RCZVLFRGSA-N 419.477 4.256 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ncccn2)s1 587614067 QZKONEGMFOHUJI-APWZRJJASA-N 403.419 4.009 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)c3ccccc3N)c2c1 587650989 XZMQRLWIEXJARK-UHFFFAOYSA-N 406.463 4.040 0 1 HIAF CCCCN(CCCC)c1ccc(-c2nn(CCO)c(=O)c3ccccc23)c(O)c1 587660982 LJVQWCUXYWDPRV-UHFFFAOYSA-N 409.530 4.168 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(CCN)c3ccccc23)N1 587753804 CDFHQTNIHKHRQV-LRTDBIEQSA-N 416.338 4.299 0 1 HIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1OCCO 587798033 NNQSWYDWHQFXNR-DJJJIMSYSA-N 408.311 4.200 0 1 HIAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CC(=O)O 587808919 RKAUIHBQPARTOW-GIPWTMENSA-N 422.294 4.022 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn2c(C)cccc2n1 587863481 LHDUVRSYMSMAPX-UHFFFAOYSA-N 400.360 4.222 0 1 HIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587961827 GLAOSCQBXRAFIX-STQMWFEESA-N 417.918 4.175 0 1 HIAF CC(C)Cn1c(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc2ccccc21 653700764 BRRDPENMDBWXNL-IBGZPJMESA-N 409.511 4.165 0 1 HIAF CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)CC1=O 653848947 NAYOZXVQLJRKTB-JOCHJYFZSA-N 423.944 4.405 0 1 HIAF CCC(CC)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1 1772652162 WJTNMGPCDFVTPW-UHFFFAOYSA-N 422.573 4.159 0 1 HIAF O=C(/C(=C/c1cccc(Cl)c1)c1ccc(F)cc1)N1CCN(c2ncccn2)CC1 1857761217 OMZVUVIKAKJCKG-LTGZKZEYSA-N 422.891 4.159 0 1 HIAF CC(C)=CCc1ccc(O)c2c1[C@@H](c1cc(C)cc3c1O[C@@H](C(C)(C)O)CO3)OC2=O 2356325546 PIRIAKYXNOUWPI-AUSIDOKSSA-N 424.493 4.380 0 1 HIAF Cc1ccc(-n2cccn2)c(CN2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)c1 11761976 GMGOWYUFAKEZNW-LJQANCHMSA-N 403.482 4.004 0 3 HIAF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4054957 PUCAKVJSRUEHHK-QUCCMNQESA-N 417.962 4.095 0 1 HIAF COc1ccc(OC)c(-c2nc3n(c2/C=C2/C(=O)Nc4ccccc42)CCS3)c1 5800833 KLSFQANGDMDDCW-NTCAYCPXSA-N 405.479 4.166 0 1 HIAF COc1c2c(c(OC)c3occc13)O[C@H](c1ccc3c(c1)OCO3)[C@@H](OC)[C@@H]2OC 14859168 IRTVRUQCSNGIAC-OZOXKJRCSA-N 414.410 4.015 0 1 HIAF biogenic Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 40422537 VJTHXWKGZRWATQ-UHFFFAOYSA-N 404.542 4.061 0 1 HIAF CC[C@@H](CN(C)C)c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 40974446 GEIXBGVNHOPPCT-HNNXBMFYSA-N 404.493 4.235 0 1 HIAF C[C@H](Cc1ccc(C2=CCNCC2)cc1)NC[C@H](O)c1cccc(C(F)(F)F)c1 45195957 ZJLCWHVPJHAQPZ-ZHRRBRCNSA-N 404.476 4.336 0 1 HIAF NC(=O)c1c(Cl)cccc1CSCCNC(=O)c1c(Cl)cccc1Cl 49802453 QMAXXSFETXDLKE-UHFFFAOYSA-N 417.745 4.409 0 1 HIAF CN(C)[C@@H]1CCc2c(c3ccccc3n2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 60325606 XNHXAWXVLOOHSD-OAHLLOKOSA-N 422.472 4.316 0 1 HIAF CC(C)n1cnc2c(NCc3ccccc3)cc(OCCCN3CCOCC3)cc21 64448167 BSOUALKCQUKKSZ-UHFFFAOYSA-N 408.546 4.330 0 1 HIAF c1ccc(OCCn2c([C@@H]3CCCN(Cc4ncco4)C3)nc3ccccc32)cc1 73385902 YSFFIZSLOXOSOV-LJQANCHMSA-N 402.498 4.483 0 1 HIAF COc1cccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccc(F)cc3)n2)c1 82195411 YUXXBAFGEPTPIS-FQEVSTJZSA-N 411.502 4.243 0 1 HIAF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2c(c1)OCCCO2 95589069 KFGIPVXQPLKUSS-SFHVURJKSA-N 415.287 4.308 0 1 HIAF CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cc1c[nH]c2ccccc12)C1CC1 139054523 AFDCQWJHWZTKAB-OAQYLSRUSA-N 409.555 4.419 0 1 HIAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ncns4)ccn23)c1 140471762 VRIJHHSGNPTXBM-UHFFFAOYSA-N 418.404 4.204 0 1 HIAF CCc1ncc(Cc2ccc3cccc(C(N)=O)c3n2)c2cc(OC)c(OC)cc12 145153059 JTNNEYJWGWUMCU-UHFFFAOYSA-N 401.466 4.052 0 1 HIAF CN(C)CCNC(=O)c1cc(-c2ccc3c(c2)CC[C@@H]3N=O)c(-c2ccncc2)o1 169686186 TWWYSBDKJOLFJP-FQEVSTJZSA-N 404.470 4.054 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(CC)cc2)c1 169707323 SIMCHOJWTNJWHB-FQEVSTJZSA-N 416.525 4.129 0 1 HIAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C5CC5)cn4)n3)cc(Cl)c2[nH]1 205650917 AKNFWUNABMBUGJ-UHFFFAOYSA-N 421.892 4.255 0 1 HIAF Cc1ccc(-c2nc(C3CC(F)(F)C3)no2)cc1NC(=O)c1cnc2ccccn12 206120562 UMMDASRURJTCCN-UHFFFAOYSA-N 409.396 4.458 0 1 HIAF CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@H]12 253678791 QIJAKJCZCKPPNN-ADHGMGHFSA-N 417.962 4.011 0 1 HIAF COc1ccccc1OCCNC(=O)c1ccc(OC(F)F)c(OC2CCCC2)c1 473145709 ZDLZPHXFOZELTF-UHFFFAOYSA-N 421.440 4.427 0 1 HIAF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nccnc2N)cc1 474609867 WKUZBDLDKOSYOV-UHFFFAOYSA-N 416.934 4.478 0 1 HIAF Brc1ccnc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587029086 HHMJKVJZHLBQOP-UHFFFAOYSA-N 411.288 4.242 0 1 HIAF C[C@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174090 MAHZGRZIWKFAFI-QGZVFWFLSA-N 411.177 4.371 0 1 HIAF CSc1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1 587185666 MJSLXOFNENLTGU-ZDUSSCGKSA-N 409.296 4.132 0 1 HIAF Cc1c(F)ccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339343 VMKYTKRVTZKCOV-WMZHIEFXSA-N 407.372 4.185 0 1 HIAF C=C1NC(C)=Cn2nc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 587347121 OIBJOVKRMVGLHL-ISKFKSNPSA-N 417.440 4.394 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1 587413530 ROCUGKOFSONVFY-ZEQRLZLVSA-N 401.418 4.003 0 1 HIAF COc1cc2c3c(c1)OC1(c4ccccc4N(C[C@H]4CO4)c4ccccc41)[C@@H](C2)C3=O 587434816 BCUOYUIMTPSHRR-PXNSSMCTSA-N 411.457 4.237 0 1 HIAF CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440624 HHSFMHGMBINCNA-LMNBIXAWSA-N 410.510 4.351 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(C)c(Br)cc21 587457479 IKLGVWXMGQJGFM-FQEVSTJZSA-N 416.271 4.228 0 1 HIAF COC(=O)[C@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587495976 GGGDXRSBFABQIT-OAQYLSRUSA-N 415.283 4.362 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591788 XBHONYVADKISBE-MBSDFSHPSA-N 407.422 4.166 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc4c(cc32)OCCO4)N1 587834216 KDPPZKLFNNRTIN-GIPWTMENSA-N 404.279 4.083 0 1 HIAF COc1ccc([C@]2(Cc3ccc(F)c(F)c3)NCCc3c2c(C(C)C)nn3C)cc1 962921581 ORIJSSHXOCUGGI-DEOSSOPVSA-N 411.496 4.462 0 1 HIAF COc1ccc2[nH]c([C@@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)c(C)c2c1 962961701 GZGRHBPXTSYSFL-DNVCBOLYSA-N 406.816 4.105 0 1 HIAF COC(=O)c1ccc2c(c1)CCCC[C@]21NCCc2cnc3c(OC)cccc3c21 963063902 FUZJDAGROSJYAI-VWLOTQADSA-N 402.494 4.146 0 1 HIAF Cc1ccc(CN2CC[C@H](N3CC[C@H](c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F 1772577310 PUIRTODRPCIZAD-CTNGQTDRSA-N 418.459 4.065 0 1 HIAF CN1c2ccc(F)cc2C(=O)N2CCn3c(cc4cc(OC(F)(F)F)ccc43)[C@H]21 1857558791 DTUBSKIXTJYWOP-SFHVURJKSA-N 405.351 4.283 0 1 HIAF O=C(NCCNC/C=C/c1ccc(-c2cccnc2)cc1)c1cccc2cnccc12 1857564483 GXJDUVIUIYKTQV-DUXPYHPUSA-N 408.505 4.330 0 1 HIAF CC(C)=CCC1(CC=C(C)C)C(=O)[C@H](C(=O)C(C)C)C(=O)[C@@](O)(CC=C(C)C)C1=O 2356322618 SLIXMIXEBCIOLT-DFBJGRDBSA-N 416.558 4.335 0 1 HIAF CC[C@H](C)C[C@](C)(O)C[C@H](CO)C[C@@H](C)C=C(C)C=C(C[C@@H](C)C(=O)O)C(=O)O 2356440069 MBFFSCGMVQIKKY-LLWKNBHXSA-N 412.567 4.267 0 1 HIAF COc1cc(OC)c2c(c1)O[C@]1(c3ccccc3)[C@H](c3ccccc3)C[C@H](O)[C@]21OC 2356570524 LPOCCMXPFMBZCP-JWWGNVLFSA-N 418.489 4.382 0 1 HIAF CCCCC[C@](C)(O)C=C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)OC(C)C 2356746563 DMLOOJUPVUOLJU-NBTNLBJRSA-N 410.595 4.300 0 1 HIAF CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NCC(C)(C)CO 774208 HONSUYXNPUUMKF-UHFFFAOYSA-N 424.497 4.164 0 1 HIAF CC1(C)C[C@@H](NCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 2486644 HQDRJBXWLWAFGM-HSZRJFAPSA-N 421.585 4.294 0 1 HIAF COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 4081614 KLECVOOXRDWZGE-PZJWPPBQSA-N 410.857 4.350 0 1 HIAF Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2Nc2ccc(CC(=O)O)cc2)n1 6786247 YLHMYPNASFEMKC-UHFFFAOYSA-N 407.861 4.456 0 1 HIAF COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccccc23)CC1 13677374 CUKQTCOUHQWBHN-UHFFFAOYSA-N 417.553 4.181 0 1 HIAF O=S(=O)(/N=c1/c(-c2ccccc2)c(O)[nH]c2cc(Cl)ccc12)c1ccccc1 13761231 ABCYBDLMCHAQLQ-UHFFFAOYSA-N 410.882 4.484 0 1 HIAF CC(C)[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 22941278 GLZPLACVFCDCPW-QHCPKHFHSA-N 411.977 4.072 0 1 HIAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](SCCO)CC(=O)[C@@H]1CCCCCCC(=O)O 27999837 OZGLGSVEPKBOGG-QDVVXYLWSA-N 414.608 4.208 0 1 HIAF COc1cccc(CCNCc2ccccc2-c2ccc(CN3CCNCC3)cc2)c1 40917382 CJILLDRFVHJQRA-UHFFFAOYSA-N 415.581 4.100 0 1 HIAF COc1ccc(Nc2nccc(NC[C@@H](O)c3ccc(C(F)(F)F)cc3)n2)cc1 45193434 ZQXAPSWKADMPNW-QGZVFWFLSA-N 404.392 4.393 0 1 HIAF COc1cc(N[C@H](C)CCCNC(=O)NCCc2ccccc2)c2ncccc2c1 45498460 FNWHYNXAOZESHK-GOSISDBHSA-N 406.530 4.366 0 1 HIAF C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)c2ccccc2O1 96929124 VPRIEZAAWFVLOJ-OAQYLSRUSA-N 410.836 4.097 0 1 HIAF CC(=O)N1N=C(c2ccccc2Br)C[C@H]1c1cc(N)c(O)c(Cl)c1 96934803 LVZLFLVTXYRPFO-INIZCTEOSA-N 408.683 4.088 0 1 HIAF COc1cccc(OC)c1[C@@H]1SCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 98176751 PJFKYDHJQFKZOC-SFHVURJKSA-N 413.417 4.377 0 1 HIAF Cc1cccc(-c2[nH]c(CNc3cccc(F)c3F)nc2-c2ccc3ncnn3c2)n1 113387817 YHUQKNYNUQCOER-UHFFFAOYSA-N 417.423 4.380 0 1 HIAF CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncnc(NC)c3c2)c1Cl 169312826 HVIDHQMXFGTZNH-UHFFFAOYSA-N 423.901 4.359 0 1 HIAF Cc1ccccc1[C@H]1CCc2cc(Oc3nc(C)c(C(=O)NCCO)s3)ccc2O1 169710722 DMIPPPFIKPSSGE-HXUWFJFHSA-N 424.522 4.341 0 1 HIAF Fc1cc2[nH]c(CCNc3ccc(Br)cc3)nc2cc1-n1cccn1 586995722 NFFAEXKLAUTHMF-UHFFFAOYSA-N 400.255 4.305 0 1 HIAF COc1cncc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 587072433 WMOLQSOQOXOAIH-AWEZNQCLSA-N 402.882 4.428 0 1 HIAF Nc1cc(F)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1N 587136842 WZCIHPHCFVAJCH-UHFFFAOYSA-N 405.149 4.195 0 1 HIAF Nc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1N 587179566 XXPFCZDDUDZVFY-UHFFFAOYSA-N 418.160 4.018 0 1 HIAF C[C@]1(c2cccc3oc(N)nc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333802 IFOTZXYQKHITLS-AUSIDOKSSA-N 404.397 4.529 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3[nH]nc(Nc4ccccc4)c31)O2 587396840 PZEVMYCSRDXXTJ-DEOSSOPVSA-N 402.498 4.877 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3cc(Br)cs3)CC1)O2 587410152 LRCGBYATLYGUMN-UHFFFAOYSA-N 421.360 4.401 0 1 HIAF C[C@]1(Cn2ccc(C(F)(F)F)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554158 HSXOSFAQTIYNJZ-VQIMIIECSA-N 404.344 4.028 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1N1CCCCC1 587597447 VGEYIGMTQRYKKV-NZQKXSOJSA-N 402.450 4.480 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 587769965 BYAJLFWRUJOKCH-PRXAMGSTSA-N 413.331 4.421 0 1 HIAF Cc1ccc([C@]2(c3ncc[nH]3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587790120 HFSORIDEHFEUSB-XCLFUZPHSA-N 400.295 4.446 0 1 HIAF C[C@H](O)[C@]1(c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 587848905 PTMFNUSWRTZEQM-YNEJBJPTSA-N 404.732 4.462 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1=NS(=O)(=O)c2ccccc21 587861044 JPHUSKLHVUPTBF-UHFFFAOYSA-N 422.293 4.253 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(-c2ccccc2)c1 587863253 WETBEQUGSQVBBE-UHFFFAOYSA-N 412.371 4.452 0 1 HIAF Cc1c(Br)ccc2nc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cn12 587872973 UROKKUKTKQQTMQ-UHFFFAOYSA-N 413.206 4.202 0 1 HIAF CN(C(=O)CCN1CCC2(CCc3ccccc32)CC1)[C@H]1CCCC[C@@H]1N1CCCC1 621431680 WRSPSWUIJANUQW-DQEYMECFSA-N 423.645 4.222 0 1 HIAF CC(C)(C)OC(=O)N(C[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21)C(C)(C)C 962760475 FEVUJNZJPVKYNC-CVEARBPZSA-N 414.468 4.409 0 1 HIAF COc1ccc(C[C@@]2(C(F)(F)F)NCCc3cc4cccc(OC)c4nc32)cc1 963050769 CXGLETLUFDAOCR-OAQYLSRUSA-N 402.416 4.398 0 1 HIAF Cc1ccnc2c1CCN[C@@]21CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 963071320 QRHIBOUYYBYPEJ-HYBUGGRVSA-N 411.521 4.295 0 1 HIAF Cc1ccc(C)c([C@]2(c3ccc(C)nc3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963239581 XHRWYFOYIUKTCO-VPUSJEBWSA-N 423.516 4.446 0 1 HIAF Cc1cccc2c1[C@@]1(C=CN(C)C=C1Cl)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863498 XXLQMRSOVQTJON-ZHRRBRCNSA-N 418.921 4.366 0 1 HIAF CC(C)Cc1cc(C(=O)NCC2[C@H]3CN(CCC(C)(C)C)C[C@H]23)nn1-c1ccccc1 1857575176 BTOCVKXISIRIDV-DHIUTWEWSA-N 422.617 4.415 0 1 HIAF CCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)ccc21 1857642890 ASTPGACVFVRHDR-UHFFFAOYSA-N 406.507 4.148 0 1 HIAF CCCCn1cc(NC(=O)CCc2ccc3c(Cl)c(O)ccc3c2)c(C(=O)O)n1 1911579909 WWJPEYQTIBPZDB-UHFFFAOYSA-N 415.877 4.465 0 1 HIAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)c5ccncc5)sc4C[C@@]3(C)CC[C@H]12 2356450466 WAFHSEYUNIHITI-RBQSZOHBSA-N 411.527 4.044 0 1 HIAF C[S@](=O)c1cc2c(Br)c(Br)c(Br)cc2[nH]1 2356790140 FFJYRNYSTOIEKQ-HNNXBMFYSA-N 415.932 4.193 0 1 HIAF COC(=O)[C@]12C=C3CC(c4ccc(C)s4)=C3C(=O)N1Cc1[nH]c3ccccc3c1C2 96018509 VAAHJJVJQMOUDW-XMMPIXPASA-N 416.502 4.132 0 3 HIAF O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 4162963 VCXVSXKWDHGHLX-PKIAMQTDSA-N 421.316 4.258 0 1 HIAF CC/C=C/CO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13642013 NFJUISWVZRMNFR-LAQIPUCWSA-N 409.305 4.348 0 1 HIAF COc1cc2cc(OC)c1OCCCCCCn1ccc3cc(ccc31)[C@H](O)[C@H]2O 28954145 UDHXJLKVFGHXGB-GOTSBHOMSA-N 411.498 4.378 0 1 HIAF CCCN(CCC)c1c(C[C@H](C)O)nc(-c2c(C)cc(C)cc2OC)nc1OC 38395147 NETYIQUXXGHKOM-KRWDZBQOSA-N 401.551 4.327 0 1 HIAF Cc1c(CN2CCN(C)CC2)sc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n12 40422198 SGFIYCZUUXHIBQ-UHFFFAOYSA-N 421.545 4.320 0 1 HIAF CCOC(=O)[C@H](CO)NC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@H]12 96901002 MVIDEWQCLWCLHW-HXOCAIRYSA-N 417.590 4.162 0 1 HIAF CCN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12 140844116 FGLHWNAUXDJDRA-VXKWHMMOSA-N 407.533 4.307 0 1 HIAF Cc1cn(-c2cc3c(c(C4CCOCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 169308158 IULUGODLBRFXLM-UHFFFAOYSA-N 406.526 4.121 0 1 HIAF COc1ccc2cccc(CCN3C(=O)c4ccc(Br)cc4C3=O)c2c1 169311994 RQIGJXXESSWRSO-UHFFFAOYSA-N 410.267 4.450 0 1 HIAF COCc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccccn2)cc1OC 200417402 MOZLNDFIHAJQOG-SQJMNOBHSA-N 418.493 4.212 0 1 HIAF CN(C)c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1 203008156 CBNCQNQQRQDSDD-UHFFFAOYSA-N 416.489 4.154 0 1 HIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586983687 BIJXPLXPICIJPB-INIZCTEOSA-N 415.335 4.438 0 1 HIAF COc1nccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c12 587033317 YPKBTJHYKFJGDQ-VPMLRQHESA-N 401.517 4.093 0 1 HIAF Cc1ccc(S(N)(=O)=O)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209737 UJYNECKVYHOIQX-UHFFFAOYSA-N 400.459 4.069 0 1 HIAF Cc1cc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)n2n1 587349076 TWUNIGRREOPMCT-UPVQGACJSA-N 417.440 4.465 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)ccnc1Br)O2 587374675 ZFIYGRZTDMFZBX-LBPRGKRZSA-N 412.081 4.204 0 1 HIAF CS(=O)(=O)C[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531183 JCORFMZMSKVITF-NRFANRHFSA-N 404.915 4.124 0 1 HIAF O=C(O)c1[nH]c2ccc(F)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567238 CHDRFLZLWBSUCL-GCJKJVERSA-N 419.364 4.414 0 1 HIAF CC1(C)Cc2nc(O)ccc2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587585170 CHIMZTLIDOSVLT-RDPSFJRHSA-N 403.434 4.322 0 1 HIAF COc1cccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587657092 UHCYPYBABWFNJD-UHFFFAOYSA-N 422.387 4.070 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccn2Cc2ccccc2)N1 587759164 ZFMSWMRNNKAYSN-YJYMSZOUSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccccc23)([C@@H](C)O)N1 587801412 GAZJXRVPMXCXKO-HTGLOVNISA-N 403.295 4.228 0 1 HIAF Cc1ccc([C@@]2(/C=C/C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587826933 JWAHSJWALVDTEB-GYHBZHIHSA-N 404.279 4.315 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(N)=S)cc2)N1 587844401 NQQBHXCPIHHLDV-YPMLDQLKSA-N 408.340 4.041 0 1 HIAF CSc1ncc2c(n1)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587847213 SRNXDHFDYZGGIH-YPMLDQLKSA-N 408.340 4.214 0 1 HIAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c(OCc2ccccc2)c1 962890039 AQQDXFXAFKSUPI-GMAHTHKFSA-N 407.441 4.102 0 1 HIAF Cc1nc(C(=O)N[C@H]2CC[C@H](N3C(=O)OC(C)(C)[C@@H]3c3ccccc3)CC2)cs1 1772581609 VRRKLMDARZMTCF-LNLFQRSKSA-N 413.543 4.465 0 1 HIAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2C[C@@H]3C[C@H]1C[C@@](c1ncc[nH]1)(C2)C3 1857549943 XGDUOZKIZRASEM-MAKJDDDQSA-N 413.949 4.483 0 1 HIAF COc1ccc(Cl)c(-c2nnc3c(C)nc4ccc(C(=O)NC(C)C)cc4n23)c1 1857635249 LVBMTHQKYBLZCL-UHFFFAOYSA-N 409.877 4.053 0 1 HIAF Oc1n/c(=C\C2CCCCC2)c(O)n/c1=C\c1cccc(Oc2ccc(F)cc2)c1 1911579596 RBPCOXZHIVQSTF-HHQODBOJSA-N 406.457 4.009 0 1 HIAF CC=Cc1cc(OC)c(O[C@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356517306 FLBWVIKFCMUTDS-SPLOXXLWSA-N 418.486 4.264 0 1 HIAF O=C(Nc1ccc2c(c1)OCO2)c1cc([C@H]2CCCCN2C(=O)c2ccccc2)on1 61927826 GMSFIMKHGAMVCX-GOSISDBHSA-N 419.437 4.023 0 3 HIAF CCC[C@H]1[C@@H](NC(=O)c2ccc(N(C)C)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712176 XCTCOMNFEJXCRG-HXKBJWFLSA-N 411.590 4.222 0 3 HIAF NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 3976847 AYGLZYIWAZBQDC-DEOSSOPVSA-N 419.500 4.199 0 1 HIAF COC(=O)C1=C(C)OC(C)=C(C(=O)OC)C1c1ccc(Cl)c(C(F)(F)F)c1 13536934 IZAPACWTFAGCCB-UHFFFAOYSA-N 404.768 4.367 0 1 HIAF O=C(OC1CCN(CCc2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1 13835332 JKIFVAGMHORRSW-UHFFFAOYSA-N 415.533 4.173 0 1 HIAF COc1c2c(c3ccoc3c1OC)O[C@H](c1ccc3c(c1)OCO3)[C@@H](OC)[C@H]2OC 14859170 GOCVYXVPIUFXNU-LKUPVBHCSA-N 414.410 4.015 0 1 HIAF biogenic COC(=O)[C@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1N2C 26979829 FNAOGECRNHWQIQ-ANULTFPQSA-N 401.453 4.095 0 1 HIAF COc1ccc2cc([C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)ccc2c1 28253079 ZQWIRBYHXKBFEM-WNSKOXEYSA-N 416.477 4.245 0 1 HIAF Cc1cc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)[C@H](C)C2)nnc1Cl 28394045 RVHRWZKXTPOGRJ-OAHLLOKOSA-N 401.942 4.479 0 1 HIAF COc1ccc(Nc2ncc(C(=O)NCc3ccccc3)c(C(F)(F)F)n2)cc1 28645235 KNSLTFSMWROIDG-UHFFFAOYSA-N 402.376 4.178 0 1 HIAF CNC(=O)Nc1snc(S[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1C(N)=O 36348977 HYEDJICMYMBSHW-SECBINFHSA-N 424.857 4.042 0 1 HIAF C[C@H]1C[C@@H](OC2CCCCC2)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40402536 MTSBFCKHSKFLIM-KBXCAEBGSA-N 406.914 4.014 0 1 HIAF O=C(Nc1cnccn1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 43202243 QHAJPNKPMOJDKH-UHFFFAOYSA-N 423.904 4.272 0 1 HIAF CCCCCN1C(=O)[C@@](CCC(=O)OC)(c2ccc3c(c2)OCO3)c2ccccc21 71333097 GYEHECPMYVJHCI-DEOSSOPVSA-N 409.482 4.191 0 1 HIAF COC[C@H](C)Oc1cc(Oc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 71340334 OAHXKGMOXATJDV-HNNXBMFYSA-N 422.437 4.238 0 1 HIAF COCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 82147052 SFZXCDVQXQADOE-AGKXRFJRSA-N 422.573 4.311 0 1 HIAF C[C@@H]1C(=O)[C@]2(CS(=O)(=O)N3CCC4(C=Cc5ccccc54)CC3)CC[C@@H]1C2(C)C 100043724 ZIKSQYXDYRQMMQ-WVMBUTMQSA-N 413.583 4.018 0 1 HIAF Cc1ccc(C(=O)NC(C)(C)CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144329869 AEAKUTLWKRVNAP-UHFFFAOYSA-N 417.509 4.059 0 1 HIAF COc1ccc(CCN(C(=O)c2ccccc2)C2=C[C@@H]3CC[C@@H](C2)N3C)cc1OC 169343805 LWQRWVCCOBVUNU-SFTDATJTSA-N 406.526 4.139 0 1 HIAF O[C@@H](COc1cccc(-c2ccc3cnoc3c2)c1)CN1CCc2ccccc2C1 219749171 HVKQCRTUTDCBIU-HSZRJFAPSA-N 400.478 4.293 0 1 HIAF CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCC(C(F)(F)F)CC3)[C@@H]2CC1 299815447 KFLGQYFSIFGDNS-KVIJGQROSA-N 401.469 4.096 0 1 HIAF Ic1cccc([C@@H]2C[C@@H](c3ccccc3)N3NN=NC3=N2)c1 473247729 GLNDSDBWBSURQI-GJZGRUSLSA-N 403.227 4.021 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4cccc(Cl)c4Cl)nn1)[C@@H](C2)C3=O 587420628 QNWBCMAVOVPXDX-JEOXALJRSA-N 402.237 4.071 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)N1CCCCC1)CC2=O 587474253 FTSYJKHRVQWNJG-HSZRJFAPSA-N 423.509 4.443 0 1 HIAF CC(C)([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N1CCN(Cc2ccccc2)CC1 587515159 QOXOUWCHVOHXNW-RUZDIDTESA-N 418.581 4.496 0 1 HIAF C[C@]1(c2cc(F)c(N)c(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559461 XOYAYIUOSIUDNQ-QVKFZJNVSA-N 401.340 4.269 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CCC2=O 587562248 TVEOVVSPPLMXMI-AGQRBOKQSA-N 405.498 4.187 0 1 HIAF Nc1ccccc1[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578200 MXBOVXBBDHCXNH-RDGATRHJSA-N 410.429 4.275 0 1 HIAF Cc1cc(C)cc(-n2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c1 587582121 OIOGFIXXUOJJHK-ZJSXRUAMSA-N 413.433 4.293 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccco1)[C@@H](O)c1ccco1 587619326 WXXQMOZEGBUSCC-AJSBUHFISA-N 404.374 4.169 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc(N)sc3c2)N1 587857634 MEYDZDKMUVCWJT-DYBLOJMWSA-N 406.324 4.578 0 1 HIAF O=CN1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc2ccccc2nc1N1CCOCC1 653726604 PDAJQXVVQRTSGR-JOCHJYFZSA-N 420.900 4.032 0 1 HIAF CC(C)(C)OC(=O)N1CCC(=O)[C@H]([C@H]2NCCc3cc(-c4ccccc4)ccc32)C1 962659273 BPLWWZDUBCYVQX-GGAORHGYSA-N 406.526 4.367 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@](Cc2ccccc2Cl)([C@@H]2CCOC2)N1)C(F)(F)F 962768309 QXEPMOKMQAQUPP-PBEJRMEISA-N 423.862 4.460 0 1 HIAF O=C(O)c1cccc2c1[C@]1(N[C@H](C(=O)O)Cc3cccc(F)c31)c1cc(Cl)ccc1-2 962920789 MBFVXHQIIPAOTP-MBSDFSHPSA-N 423.827 4.049 0 1 HIAF CCn1cnc2c(-c3ccc(F)c(-c4ccccc4S(=O)(=O)CC)c3)cnnc21 1857557032 MHBFVPVYPARAIN-UHFFFAOYSA-N 410.474 4.113 0 1 HIAF COc1cc2c(cc1O)CN(CCCCNC(=O)c1ccc3ccccc3c1)CC2 1857772478 BVFIHIUYFGGHND-UHFFFAOYSA-N 404.510 4.122 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C(C(=O)O)[C@@H](C[C@H](OC(C)=O)[C@@H]12)C3 2356424038 ONGLJJBMKPIZJW-TUVAXONDSA-N 418.530 4.125 0 1 HIAF CC=C(C)C(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)C(C)C 2356655231 CBADSRIBFMZVLJ-VQTJNVASSA-N 414.454 4.082 0 1 HIAF COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(Cc3ccccc3C)[C@@H]21 202239276 DCFYNVCSHSCULI-HSZRJFAPSA-N 414.461 4.327 0 3 HIAF CC(=O)Nc1ccc(Cl)c(NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)c1 13673987 BHYKCBYITJXWAR-UHFFFAOYSA-N 402.184 4.192 0 1 HIAF COc1cc2c(cc1OC)S[C@H](C(=O)CCc1cc[n+](Cc3ccccc3)cc1)C2 28398073 UBOLSYAFJBJJBX-VWLOTQADSA-N 420.554 4.258 0 1 HIAF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(O)c1 28564728 PANYIYYRWMZUGA-CLJLJLNGSA-N 418.581 4.482 0 1 HIAF Cc1cc2c(cc1C(=O)N1CCOCC1)OC(c1ccccc1)(c1ccccc1)O2 29054565 SCQIZSIOFTUDQV-UHFFFAOYSA-N 401.462 4.140 0 1 HIAF COc1c(-c2ccc3c(c2)CNC3)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 35090197 INFOMPWYYGJYFO-UHFFFAOYSA-N 423.469 4.070 0 1 HIAF CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2cc(Br)ccc21 58569098 AKOBEJUBLNQHMO-UHFFFAOYSA-N 420.351 4.085 0 1 HIAF C[C@@H](CNC(=O)Cc1c(F)ccc(F)c1F)C1CCN(C(=O)OC(C)(C)C)CC1 66077645 NCFMLEOQTUZOKH-ZDUSSCGKSA-N 414.468 4.046 0 1 HIAF CN(C(=O)c1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CCN(C2CCCC2)C1 72123341 SFTGLKQVBHRCCN-JOCHJYFZSA-N 402.542 4.174 0 1 HIAF c1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3CCc2ccccn2)cc1 82178381 QCNZDTWXKKEAFB-UHFFFAOYSA-N 407.481 4.138 0 1 HIAF O=C(NCc1ccccc1)OCCc1ccc(OC(=O)NCc2ccccc2)cc1 95603306 NXZAIPYLOYEFRU-UHFFFAOYSA-N 404.466 4.444 0 1 HIAF COc1ccc(-c2nc3cccc(C(=O)N[C@H]4C[C@@H]5CCC[C@H](C4)N5C)c3o2)cc1 103264131 FVAIFXRTWOJMOT-NNZMDNLPSA-N 405.498 4.249 0 1 HIAF O=C1C[C@H](C2c3ccccc3-c3ccccc32)C(=O)N1C(=O)c1ccc2[nH]ccc2c1 103278106 KMCBMRDRIPUTAN-OAQYLSRUSA-N 406.441 4.496 0 1 HIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C(C)=O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169370543 DIISWROLLPLGMW-SMIYNLNTSA-N 416.606 4.251 0 1 HIAF Cc1[nH]c2cn(C[C@@H]3CCCO3)c(=O)c-2c(-c2ccc(Cl)cc2Cl)c1CN 169730472 AYOPVVONJRFMDB-ZDUSSCGKSA-N 406.313 4.201 0 1 HIAF Cc1nn(Cc2ccncc2)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2 200983384 PDVABSXJIQYWMT-UHFFFAOYSA-N 414.440 4.439 0 1 HIAF CC(C)Cc1cc(CNC(=O)C2[C@H]3CN(CCC(C)(C)C)C[C@H]23)nn1-c1ccccc1 220239839 DOKOGLOPIXTMOO-GOTSBHOMSA-N 422.617 4.301 0 1 HIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587039555 GHQXSSKTHNDLQF-SFHVURJKSA-N 411.531 4.377 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(CCN(Cc3ccccc3)C2=O)[C@H]1c1ccc(F)cc1 587342650 GHUCFWGTGJZZPN-DHLKQENFSA-N 417.436 4.062 0 1 HIAF O=C(O)[C@@H]1C[C@H]2C=CC[C@@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359458 YQZLKTKHWYCFGC-CVJGGJOGSA-N 408.425 4.316 0 1 HIAF Cc1ccc([C@@]2(c3cc(/C=C/C(=O)O)n(C)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587391140 PPNDFZNIEHTSDU-REJWQLKLSA-N 416.477 4.231 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1[C@@H]3C[C@H]1N(C(=O)OC(C)(C)C)C3)CC2=O 587489307 TZLNDIVQJMZOKN-GKBQASAGSA-N 401.503 4.324 0 1 HIAF O=C1C[C@H](c2cc3cc4c(cc3nc2O)OCCO4)Oc2c1ccc1c2CCCC1 587527312 SGAAXTGUYNPUHC-HXUWFJFHSA-N 403.434 4.297 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc4ccccc4c3)c(CN3CCOCC3)c2c1 587651625 XEZGXJPLUQFEGL-UHFFFAOYSA-N 420.534 4.224 0 1 HIAF O=C([C@@H]1CCN1Cc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661128 NDAKXNYYFSSUCQ-QFIPXVFZSA-N 413.452 4.117 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]ccc2=NC(=O)C(C)(C)C)N1 587739565 AXDAGMALYNOSFG-VOJFVSQTSA-N 420.326 4.013 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587740710 FCVSKAOECIACTJ-YBTHPKLGSA-N 421.310 4.353 0 1 HIAF COc1ccccc1[C@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804903 DBZPOFNBYWVJBA-YUNKPMOVSA-N 406.295 4.354 0 1 HIAF CC(=O)N(c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1)C1CC1 587853466 NHCDYDBHKIDISH-HUTHGQBESA-N 424.339 4.184 0 1 HIAF C[C@]1(CCc2ccc(F)c(F)c2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962650770 ZXEWIEROBZIVKY-BJKOFHAPSA-N 410.464 4.460 0 1 HIAF CC(C)(C)OC(=O)Nc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962895319 IESSABLRYLZOHH-AVRDEDQJSA-N 400.450 4.035 0 1 HIAF Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)NCCc3nc4ccccn4c32)cc1F 962981228 FKCZJAVSBMBJPT-DEOSSOPVSA-N 418.541 4.352 0 1 HIAF C[C@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)F)cn4)ccc3n2)C[C@H](C)N1 1772617701 IDNDWBZRKZOKQO-KBPBESRZSA-N 412.440 4.182 0 1 HIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(OC)cc2)C(=O)OC)cc1 1772649099 IAPQNUXKZNWLHV-UZUQRXQVSA-N 413.514 4.083 0 1 HIAF CC(C)(C)OC(=O)NCCCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 1857535461 PQPQLJKSJQTVNM-UHFFFAOYSA-N 411.458 4.403 0 1 HIAF Cc1cccc([C@H]2C(C(=O)O)=CC[C@@H](c3ccc(Cl)cc3)N2S(C)(=O)=O)c1 1857570628 JJMHLDFCXFPMDY-OALUTQOASA-N 405.903 4.107 0 1 HIAF O=C(Nc1ccc(F)c(F)c1)c1cc(NS(=O)(=O)C2CCCCC2)ccc1F 1857644907 NNVGDHRVCQMTCQ-UHFFFAOYSA-N 412.433 4.431 0 1 HIAF COc1ccc(CO[C@@H]2O[C@H](OCc3ccc4c(c3)OCO4)[C@@H](C)[C@H]2C)cc1OC 2356510151 OSEQANKLJOXPBT-LDZHWTRMSA-N 416.470 4.121 0 1 HIAF COC[C@H](CC=Cc1ccc(OC)c(OC)c1)[C@@H](O)c1ccc(OC)c(OC)c1 2356682116 DYVFUMMQRMNAMH-MBSDFSHPSA-N 402.487 4.121 0 1 HIAF O=C(Nc1cccc2c1CCCC2)c1cc([C@H]2CCCCN2C(=O)OCCF)on1 61906025 HWZWOUDCMFWGEO-LJQANCHMSA-N 415.465 4.439 0 3 HIAF COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC(C)C)c(OC)c1OC 773725 PTYNWTYHNNXOLE-UHFFFAOYSA-N 414.433 4.312 0 1 HIAF O=[N+]([O-])OCCCO[C@]1(c2ccc(-c3ccccc3)cc2)CN2CCCC[C@@H]2CO1 27619746 GBXOBAOTOKUUGH-DHIUTWEWSA-N 412.486 4.006 0 1 HIAF CCN(C#N)c1nc(Cl)c(-c2c(F)cc(F)cc2F)c(NCC(F)(F)F)n1 28703516 AXBYKBJRPSKKRG-UHFFFAOYSA-N 409.721 4.496 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1 29325180 JWMZVYLTBJGTOQ-OAQYLSRUSA-N 420.465 4.229 0 1 HIAF CC(C)[C@H]1Cc2n[nH]cc2[C@@H](C(C)C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 49072472 YZBKPKKTDXQEEB-QZTJIDSGSA-N 415.481 4.397 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)C)cc1 73222495 XEBJWAMHNOGVTM-INIZCTEOSA-N 420.579 4.046 0 1 HIAF CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ncnc4[nH]ccc34)cc2)c1 73258564 AHEOXHOZNNFHHZ-UHFFFAOYSA-N 414.469 4.407 0 1 HIAF C[C@H](Cc1nc2c(NCC3CC3)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 82186177 VDXYEJIVRQXZIY-WIYYLYMNSA-N 418.589 4.479 0 1 HIAF CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCCN1CCCC1=O 82188771 QGTVNBLDQZNAPU-SFHVURJKSA-N 420.561 4.007 0 1 HIAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C1(O)CCCCC1)/C=C/C=C3CO 169297101 AHYOUXMXCQWDCX-ZYTJNFGJSA-N 408.538 4.400 0 1 HIAF COC(=O)C[C@@H]1Oc2ccccc2-c2ccc3c(c21)C(=O)C(=O)N3Cc1ccccc1 299858702 GQZBAPAYQNYGKJ-FQEVSTJZSA-N 413.429 4.080 0 1 HIAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 299881594 OGDOVIGXOQRDQR-JAXLGGSGSA-N 414.933 4.442 0 1 HIAF CCOc1ncc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 473162500 DQXRZOLGSQYVPN-HBFSDRIKSA-N 403.482 4.101 0 1 HIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1 586937965 SVAPVYMGQPXUBV-GFCCVEGCSA-N 422.348 4.378 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](N)c3ccccc3Cl)nc2c1 587056956 LRZQXUGXSMGKRS-AWEZNQCLSA-N 422.710 4.398 0 1 HIAF COC(=O)c1cccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587104715 VDSRYEIWWLFTTR-UHFFFAOYSA-N 422.440 4.414 0 1 HIAF Fc1cc(Br)cc(-c2nc3cc(I)cnc3[nH]2)c1 587161070 MESLRKXDPIQCQX-UHFFFAOYSA-N 418.007 4.131 0 1 HIAF Fc1ccc(-c2cnn(Cc3nc4ccc(I)cc4[nH]3)c2)cc1 587165031 JPQPYMXXIYRVJW-UHFFFAOYSA-N 418.213 4.218 0 1 HIAF O=C(c1cc(Br)cs1)c1c(CO)oc2cc(Br)cnc12 587276144 KOJBHMBSFQUTQG-UHFFFAOYSA-N 417.078 4.138 0 1 HIAF O=C1c2ccc(O)cc2OC2(CCN(Cc3cscn3)CC2)[C@H]1c1ccc(F)cc1 587370387 AURASNPJNQWTJK-NRFANRHFSA-N 424.497 4.382 0 1 HIAF CC[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530640 GETVMAOGLUTRDO-OAQYLSRUSA-N 419.930 4.137 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587700124 RUGHBNPXAADIFR-NIVTXAMTSA-N 409.686 4.280 0 1 HIAF CCOC(=O)C[C@@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587725355 CSHQOBOXSKIXCB-YUNKPMOVSA-N 424.285 4.458 0 1 HIAF CC(=O)N(C)c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587744475 BITSDSJQAKCESC-MPBGBICISA-N 405.311 4.369 0 1 HIAF CCO[C@H](C)c1ccc([C@@]2(CN)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587751918 ZZZMEMOYAHFCDO-ZMOMAAQPSA-N 421.354 4.422 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3n(C)c2=O)N1 587771986 UWUCHLWRGVYDRJ-WYRIXSBYSA-N 401.279 4.064 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cnn(C)c3)s2)N1 587856260 XFSYWIQDRSSLND-JDNHERCYSA-N 407.312 4.069 0 1 HIAF COc1cc2c(cc1OC)[C@@](CC(=O)C(F)F)(c1ccc(C)s1)N(C)[C@H](C)C2 962630979 IWPPBQKIGYLKOD-GTJPDFRWSA-N 409.498 4.418 0 1 HIAF C[C@@]1(c2cc(Br)ncc2O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962714495 OYHQBXVZQFLQAD-BLVKFPJESA-N 423.351 4.316 0 1 HIAF CC(C)(C)n1cc(O)c([C@@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)n1 962949011 CFZNZUFAWBPNGS-FQEVSTJZSA-N 423.479 4.277 0 1 HIAF Cc1cccc([C@@]2(c3ccc(CN4CCC4)cc3)NCCc3c(C(=O)O)cccc32)c1 963118263 BDKWYYKWYORYIU-HHHXNRCGSA-N 412.533 4.337 0 1 HIAF Cc1c(C)c2ccc(OC[C@@H]3CCCN(Cc4cccc(CO)c4)C3)cc2oc1=O 1857600096 JFAXGIYNMLALLU-OAQYLSRUSA-N 407.510 4.193 0 1 HIAF O=C(O)C[C@H]1CCN(CCCc2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356302730 WBSKAKMINJHGJA-MOPGFXCFSA-N 409.505 4.290 0 1 HIAF CC[C@H](C)C[C@](C)(O)C[C@H](CO)C[C@@H](C)C=C(C)C=C(C[C@H](C)C(=O)O)C(=O)O 2356440071 MBFFSCGMVQIKKY-XNAUIMBHSA-N 412.567 4.267 0 1 HIAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCc1ccccc1N 4080022 VCJIGDPGIKGVCH-VWNXMTODSA-N 415.493 4.076 0 1 HIAF CCCc1nc([C@@H](C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13745629 AKBCFEJJFRYVQQ-CQSZACIVSA-N 408.454 4.001 0 1 HIAF O=C(c1cn2c3c(cccc13)OC[C@H]2C1CCCCC1)N1CCN2CCCC[C@H]2C1 13983270 ZFXQUUUELIZMGT-UGKGYDQZSA-N 407.558 4.465 0 1 HIAF COc1cccc(CCn2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)c1 14959755 QZHQPTPQLDIMDW-UHFFFAOYSA-N 419.569 4.495 0 1 HIAF CCO/C(=C\C(C)=C\COc1c(OC)cc(/C=C/CO)cc1OC)CC(C)(C)O 15253832 GMSWMOZEIVVWPB-MRMHHQDGSA-N 406.519 4.116 0 1 HIAF CC(=O)OCc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccccc1Cl 28379519 BSSMJWXAPNQDMH-UHFFFAOYSA-N 409.916 4.439 0 1 HIAF COc1cccc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1 40975321 XSRNXUBVNYNCJC-UHFFFAOYSA-N 415.295 4.204 0 1 HIAF CC(C)CNC(=O)c1ccc(-c2cccc(CN3CCC(N4CCCC4)CC3)c2)nc1 45168418 VZPDDFQSNCHYRI-UHFFFAOYSA-N 420.601 4.195 0 1 HIAF Cc1ccccc1Nc1nc2ccc(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12 73161582 IHOAMLDSNGLEGW-JXMROGBWSA-N 414.513 4.015 0 1 HIAF CC[C@H](C)NC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccccc1F 82152668 DAGCEZHQGUPFRM-INIZCTEOSA-N 422.504 4.474 0 1 HIAF CNC(=O)c1cc(Oc2cccc(NC(=S)Nc3ccc(F)c(F)c3)c2)ccn1 95579500 UEDHRQCTWDFSOY-UHFFFAOYSA-N 414.437 4.321 0 1 HIAF O=C(c1cc2ccccc2cn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1 96168912 NFWMFRCADUDQPW-UHFFFAOYSA-N 417.509 4.207 0 1 HIAF CC(=O)Nc1ccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)cc1 102201218 PNOGAHJUBGLREP-UHFFFAOYSA-N 406.507 4.237 0 1 HIAF O=c1cc(-c2ccc(C(F)(F)F)cn2)ccn1-c1ccc2c3c([nH]c2c1)CCNCC3 115014269 NTQXZRWJLBDGGZ-UHFFFAOYSA-N 424.426 4.088 0 1 HIAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccc(F)c4)C[C@H]3C2)n1 116823310 SJLACDBRLFYAGQ-PMACEKPBSA-N 416.500 4.108 0 1 HIAF CN1C(=O)C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)[C@H]1CC(C)(C)C 141930254 BONIRPMJEKDABR-OAHLLOKOSA-N 413.345 4.131 0 1 HIAF CN(CC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)[C@H]1CCOC1 146470466 GSISLXKFMHYNDC-IBGZPJMESA-N 408.571 4.295 0 1 HIAF CSc1nn(-c2ccccc2)c2cc(N3CCN(Cc4ccncc4)CC3)ccc12 147343504 RJMJHQFAOOMQGI-UHFFFAOYSA-N 415.566 4.465 0 1 HIAF CCCCCCOc1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H]2CCc3ccccc3C2)cc1 148952998 KESXWGDGUNIUTR-WMZHIEFXSA-N 422.569 4.438 0 1 HIAF CC(=O)c1cccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)c1 219733212 ODJBWOYBRMTPAI-RUZDIDTESA-N 401.506 4.354 0 1 HIAF O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1ccccc1Cl 220227511 JIUSFZSCMYJTBW-UHFFFAOYSA-N 407.904 4.128 0 1 HIAF CN1c2ccc(F)cc2C(=O)N2CCn3c(cc4cc(Br)ccc43)[C@H]21 221966714 ZOPOQTWLTDCVRX-SFHVURJKSA-N 400.251 4.147 0 1 HIAF Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1cc(C(N)=O)ccc1C 230559794 ILNDZSHQMHVGQP-UHFFFAOYSA-N 414.509 4.317 0 1 HIAF N=c1[nH][nH]c(=NCc2c(Cl)cccc2Oc2ccc(SC(F)(F)F)cc2)[nH]1 473113539 JEPZAUTZBZMZJT-UHFFFAOYSA-N 415.828 4.309 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Br)c(O)c2[nH]1 587043131 OVMMWVKWFUQPCH-LBPRGKRZSA-N 424.707 4.340 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(Br)ccnc2[nH]1 587043824 VRCYIDVENLZDAQ-LLVKDONJSA-N 409.696 4.029 0 1 HIAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1OC(C)=O 587424107 XJLZTXRGJAGAKS-JLTOFOAXSA-N 402.830 4.161 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCN4CCC[C@H](C)C4)cc1)[C@@H](C2)C3=O 587440471 ZXNWEVPFHVINRV-YVPSIOQSSA-N 407.510 4.295 0 1 HIAF COC(=O)c1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587590163 RPBGSJCBAAHDMY-REWPJTCUSA-N 415.401 4.363 0 1 HIAF Cc1nn(-c2ccccc2)c(C)c1CCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652303 BQNHWQRKKXEHEQ-UHFFFAOYSA-N 406.873 4.125 0 1 HIAF CCOC(=O)[C@]1(CCC(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587709078 HVDKSOOEXVSDQK-BJOHPYRUSA-N 412.221 4.223 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(C(F)F)N1 587714708 ALUUAXGJNKIUBG-HUTHGQBESA-N 402.210 4.449 0 1 HIAF CCn1nc(C(F)(F)F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587721412 PZLNGCXGNABLKA-VXJOIVPMSA-N 406.221 4.447 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCN(C)C)cc2)N1 587739005 FMDJHFNTMBLJTQ-RNODOKPDSA-N 407.327 4.152 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(N)sc32)N1 587858452 QTKZMYVFPRWWTO-DYBLOJMWSA-N 410.356 4.377 0 1 HIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587934685 DUMHHKZEYLKBFW-JOCHJYFZSA-N 421.522 4.002 0 1 HIAF CCOc1cc(C=O)c(OCC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 587944596 HFZXFLAESRVGCQ-UHFFFAOYSA-N 417.462 4.308 0 1 HIAF CC(C)(C)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 653916369 IWDGTLNDRGRCLK-UHFFFAOYSA-N 403.482 4.309 0 1 HIAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCN(C(=O)OC(C)(C)C)C[C@@H]2OC(C)=O 963233983 DQFWGSZEWZOGKT-QATBIIFWSA-N 416.562 4.111 0 1 HIAF O=C1[C@H](N2CC[C@H](c3ccc(O)cc3)[C@@H](F)C2)CCN1Cc1ccc(Cl)c(F)c1 1772633204 JATJVTHLUABLLD-JRGCBEDISA-N 420.887 4.113 0 1 HIAF CCOC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 1772641658 FDUYAGKGAATWMU-FSXKIHRRSA-N 413.558 4.203 0 1 HIAF COC(=O)CCCCN1C(=O)[C@H](CCSC)N=C(c2ccccc2)c2ccccc21 1772643477 XWTLBJATJCSEOM-FQEVSTJZSA-N 424.566 4.336 0 1 HIAF CCOC(=O)[C@H](C(=O)c1ccc(OC)cc1)[C@H](NC(C)=O)c1cccc2ccccc12 1857550967 XLBJLDIAFCTKRY-XZOQPEGZSA-N 419.477 4.088 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@H]1c1cc(F)ccc1Cl 1857634425 FGCLYZGQTDCLGQ-INIZCTEOSA-N 405.882 4.350 0 1 HIAF O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-c3ncco3)cc2)c2ccccc12 1857756253 GALIORKQODCYBB-GMAHTHKFSA-N 415.493 4.378 0 1 HIAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NCc3ccccc3)n2)cc1 591684 LJNRMZTVMWCJOD-UHFFFAOYSA-N 407.417 4.178 0 1 HIAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1-c1coc(C)c(OC)c1=O 14441498 FMCPZMXUDWPSID-UHFFFAOYSA-N 406.390 4.111 0 1 HIAF biogenic,in-vitro CO[C@H](C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCc2cccs2)C[C@@H]1C 26728592 JIKKIUARYBEXPE-QKLQHJQFSA-N 404.551 4.208 0 1 HIAF O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(C3CCCC3)c2)CC1 40899805 JIURPIOICOLPRZ-UHFFFAOYSA-N 415.965 4.416 0 1 HIAF O=S(=O)(NC[C@H](c1ccccc1)N1CCCCCC1)c1ccc(F)c(Cl)c1 58487530 MSTDPKUXQYECFM-HXUWFJFHSA-N 410.942 4.375 0 1 HIAF COc1ccc(F)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1 95593360 RFZDGPIOKDAECB-UHFFFAOYSA-N 409.461 4.485 0 1 HIAF CCC[C@H](C)NC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 96922838 SOUKVVUNVQTGMB-HNNXBMFYSA-N 420.538 4.264 0 1 HIAF COC1CCC2(CC1)Cc1ccc(C3CCCC3)cc1[C@]21N=C(N)N(C(C)C)C1=O 169700424 UROGHDPZGITNBK-LRARRHDQSA-N 409.574 4.236 0 1 HIAF CCS(=O)(=O)CCCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 202732387 NUKKBDWDURQAMW-VXKWHMMOSA-N 421.990 4.143 0 1 HIAF CN(C)c1ccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)cc1 219744169 NBLUPANHTSTPQP-VWLOTQADSA-N 402.538 4.218 0 1 HIAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cc(Cl)cc(Cl)c1 299836436 GSZCEANLPGXNOK-UHFFFAOYSA-N 418.660 4.416 0 1 HIAF COc1ccc(C=O)c2cc(-c3nc4cc(I)ccc4[nH]3)oc12 586903652 KQGIKTBSNNAXNW-UHFFFAOYSA-N 418.190 4.402 0 1 HIAF O=S(=O)(c1ccc(Cl)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1)N1CCC1 586955377 PRNUQOUJHYZRJE-UHFFFAOYSA-N 401.919 4.157 0 1 HIAF Cc1cc2c(Br)ccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2o1 587004454 UAPUWAWQMMXCEJ-UHFFFAOYSA-N 407.245 4.294 0 1 HIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1 587014288 OHZPUXXEOUIBMJ-UHFFFAOYSA-N 410.402 4.033 0 1 HIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(=O)OC)ncc2[nH]1 587034783 LRUBKPVGEASUNX-CYBMUJFWSA-N 408.483 4.230 0 1 HIAF COCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587377579 NOZAUULESBOXRM-IBGZPJMESA-N 420.303 4.462 0 1 HIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O 587444529 UHDBBFJGFQLZRZ-DFBJGRDBSA-N 402.446 4.404 0 1 HIAF CNc1nc(N)c([C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536569 WQCDKLHJTOMWMR-DEOSSOPVSA-N 419.550 4.863 0 1 HIAF C[C@@]1(c2cccc(Br)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548818 VSLKGSUELXOILC-XLIONFOSSA-N 412.239 4.427 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cnc1F 587569872 NAWVKLZEXFQZSM-YJBOKZPZSA-N 416.202 4.392 0 1 HIAF C[C@@]1(CC(=O)Nc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573690 WRYURUFRZSKYGW-REWPJTCUSA-N 407.397 4.280 0 1 HIAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC 587596164 UXXXHIIDLZEDCW-RDPSFJRHSA-N 422.433 4.295 0 1 HIAF Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587702281 WFUUDOVXEJHSBB-DYBLOJMWSA-N 409.686 4.280 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c2ccc(Cl)c1F 587738300 MNSSATFBRFHOEY-BWKAKNAASA-N 413.649 4.111 0 1 HIAF CC(=O)Nc1cccc2c1[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587745937 XRIGJAQMYUCGJW-YBTHPKLGSA-N 403.295 4.271 0 1 HIAF CC(C)CN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587767020 HSSXIRUEFSWHMR-YEJXKQKISA-N 417.322 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3cccc(CO)n3)CCC2)N1 587772873 PITGHDXVEHOGBX-ASSNKEHSSA-N 417.322 4.473 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(C2CCOCC2)N1 587774148 LSGFUMXKEBOWET-RNODOKPDSA-N 405.311 4.188 0 1 HIAF COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(O)c1OC 587805287 FKNAELBROAJTFW-GIGQVBGESA-N 410.283 4.109 0 1 HIAF Cc1oc2c(c1C(=O)O)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587828971 PJGMTYORJWEINK-HOGDKLEQSA-N 408.267 4.302 0 1 HIAF CN1C(=O)C[C@H]2CN[C@](c3cccc(CN4CCCCC4)c3)(C3CC3)c3cccc1c32 963025585 OQPNZZPOIWMRQO-DCFHFQCYSA-N 415.581 4.379 0 1 HIAF COc1cccc2c3c(cnc12)CCN[C@]31C(=O)[C@@H](c2ccccc2)Oc2ccccc21 963065018 IAOSVOSLRXKLMY-VPUSJEBWSA-N 422.484 4.336 0 1 HIAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cccc(F)c3)c2)c1 1772632427 DSXDLHOBZOZXGY-UHFFFAOYSA-N 406.417 4.317 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2ccc(F)cn2)=N[C@@H]1c1ccc(F)cc1Cl 1857632654 LZKWAMWWBFZQFU-LJQANCHMSA-N 417.843 4.428 0 1 HIAF COc1cc([C@@H]2Oc3cc(OC)c4c(c3[C@@H]2CO)CCc2cc(O)ccc2-4)ccc1O 2356433118 XKQDVEXEOLLCBI-BVZFJXPGSA-N 420.461 4.090 0 1 HIAF C[C@@H]1CC(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@]46C[C@@H](O)[C@]3(C)[C@H]12 2356495508 UMLHBLLBOOEXQG-DTHYZVHNSA-N 416.602 4.319 0 1 HIAF CCOc1ccc([C@@H]2N(c3cc(Cl)ccc3OC)C(=O)[C@@H]3CCCN32)cc1OC 250526561 XREMXXYPIHMRFV-KKSFZXQISA-N 416.905 4.266 0 3 HIAF O=c1[nH]c(NCCCNCc2cc3c(Cl)cc(Cl)cc3[nH]2)nc2ccccc12 4830980 NMEFYZKHRBDWLZ-UHFFFAOYSA-N 416.312 4.303 0 1 HIAF COc1cc(OC)c(-n2cc(-c3ccc(Br)cc3)[nH]c2=O)cc1Cl 4881775 XKEPMBHRUKJIAN-UHFFFAOYSA-N 409.667 4.266 0 1 HIAF O=S(=O)(c1cccc(Br)c1)N1CCC2(C=Cc3ccccc32)CC1 13728199 SNUQMXKAXHLIOE-UHFFFAOYSA-N 404.329 4.198 0 1 HIAF CCn1cnc2c(Nc3cccc(C(F)(F)F)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 28089674 OMLBDSQGJYDWMS-LSDHHAIUSA-N 419.455 4.290 0 1 HIAF O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 28229139 PZWFEFXVQPZYKM-AIMAZDRCSA-N 404.315 4.172 0 1 HIAF CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)Nc1ccc(SC)cc1 29060417 XXHWLCFFJLCOGY-GOSISDBHSA-N 404.557 4.395 0 1 HIAF CN1CCN(c2cccc3[nH]c(-c4nc(CCc5ccc(Cl)cc5)no4)cc23)CC1 36311433 JXVLSCXVNQXJPE-UHFFFAOYSA-N 421.932 4.408 0 1 HIAF CC(C)N(c1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 58582409 CUHSWRCFUZEEGS-UHFFFAOYSA-N 423.582 4.195 0 1 HIAF COc1cc2nc(NCCCOC(C)C)nc(NCc3ccccc3)c2cc1OC 82126169 BUDOQZQIZRQRKD-UHFFFAOYSA-N 410.518 4.486 0 1 HIAF Clc1cccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@H]2CCCO2)c1 82181208 ILTAOIHSKHNRSX-GOSISDBHSA-N 420.904 4.333 0 1 HIAF CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](CC)N2 82207695 SNZBFHGMRHZOEU-HXUWFJFHSA-N 420.557 4.264 0 1 HIAF COc1ccccc1OCCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 96939456 UMKVCAQGQBPXMY-SFHVURJKSA-N 420.509 4.128 0 1 HIAF CC[C@@H]1C/C=C/C[C@H](C)Oc2ccccc2C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1 100088366 VVNIRXJTAKNISC-JZJWMPOZSA-N 420.553 4.382 0 1 HIAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3C)cc2)c1 100105994 GIYGJGBAFNSABF-YXFZHOHLSA-N 418.562 4.099 0 1 HIAF CC[C@H](C)C(=O)O[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 104449806 PCZOHLXUXFIOCF-QPDQLBIHSA-N 404.547 4.196 0 1 HIAF COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1OC 473145130 KMZDJRBSGHAFCV-UHFFFAOYSA-N 407.413 4.024 0 1 HIAF CCCCCCOc1ccc(Br)cc1-c1nc2c(O)nc(O)nc2[nH]1 586980763 AAWHKBVPUDJJFE-UHFFFAOYSA-N 407.268 4.153 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587024127 OKPUYLLJTJPDFQ-UHFFFAOYSA-N 418.569 4.445 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047958 CPOLCBGBPKLAMC-VXGBXAGGSA-N 410.326 4.391 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 587231373 NTSHRGGBBRCCLI-NWDGAFQWSA-N 414.731 4.015 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cncc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587240474 UIGVBNJOQQGOKY-RPLLZPRCSA-N 406.914 4.166 0 1 HIAF COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587594911 PUDSNOCONOTHBL-REWPJTCUSA-N 408.406 4.121 0 1 HIAF Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587697266 NGOSOLMOTMJVRS-ASCAZGACSA-N 409.686 4.280 0 1 HIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1-n1cncn1 587760722 QDMKXQUEXAAGSO-CWTRNNRKSA-N 401.283 4.101 0 1 HIAF COc1ccc(-c2ccc(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)cc2)cc1OC 587928368 FBINIXJJUSWJCG-UHFFFAOYSA-N 410.451 4.161 0 1 HIAF COc1ccc2c(c1)C[C@H](c1nc3cccc(I)c3[nH]1)CC2 587944939 BCKAIKOTFJXMQF-GFCCVEGCSA-N 404.251 4.449 0 1 HIAF CCNC(=O)c1cccc(-c2ccc([C@H]3NCCc4c(C(=O)O)cccc43)cc2)c1 963129517 GCPMLOQQCPDIAF-HSZRJFAPSA-N 400.478 4.037 0 1 HIAF O=C1C[C@@H](c2ccc(Br)cc2)C[C@]2(C1)NCCc1c(C(=O)O)cccc12 963136184 YZUGKGJTMFZZDE-SPLOXXLWSA-N 414.299 4.025 0 1 HIAF COc1ccc(Cl)c2c1CCN[C@@]21CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 963258152 OCRMGUQNALIKTM-IFMALSPDSA-N 419.974 4.415 0 1 HIAF CON(C)C(=O)[C@H](CC(C)C)NC(=O)c1cc(Cl)ccc1OCc1ccccc1 1772651210 YFWDJVXLEIONMF-IBGZPJMESA-N 418.921 4.083 0 1 HIAF Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2ncnc(N3CCC(C)CC3)c12 2924535 JJJZHALXGCBZGV-UHFFFAOYSA-N 410.499 4.217 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1 3978514 WJOGTCZNZPHODB-HNSUAQOOSA-N 416.558 4.175 0 1 HIAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 4054918 JBCKGNAWJNZXKM-JTHBVZDNSA-N 420.896 4.207 0 1 HIAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc2ccccc12 13601805 BKVDDRUPSUWQNR-DEOSSOPVSA-N 405.457 4.385 0 1 HIAF CC(C)n1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CCCO)sc21 13672764 IHMGMLCMCKUCRO-UHFFFAOYSA-N 418.946 4.152 0 1 HIAF C[C@H](/C=C/c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)n1oc(=O)nc1O 27098962 LVOGMNHMHJMCPC-URWSZGRFSA-N 406.360 4.414 0 1 HIAF CN1CCN(c2ccc(-c3cc(NCCN4CCCC4)c4ccccc4n3)cc2)CC1 28245321 NXWXAQLNOAFKBT-UHFFFAOYSA-N 415.585 4.161 0 1 HIAF Cc1cc2c(cc1Cl)S[C@H](C(=O)c1ccc3ccccc3c1)NS2(=O)=O 40380791 DZIHLSNSMOYORU-LJQANCHMSA-N 403.912 4.395 0 1 HIAF CCN(CC)CCCOc1ccc(C[C@@H]2CCn3c2nc2ccccc2c3=O)cc1 40892357 JFLLGMOAKXBLQP-FQEVSTJZSA-N 405.542 4.237 0 1 HIAF CN(c1cc(NC(=O)c2cccs2)ccn1)C1CCN(Cc2ccccc2)CC1 45187047 RMSAPLTVVXHXRV-UHFFFAOYSA-N 406.555 4.496 0 1 HIAF Cc1cc(C)c(C[C@H](N)COc2cncc(-c3cc4c(C)n[nH]c4cn3)c2)c(C)c1 45288593 LKGYOMNCBCJAAC-IBGZPJMESA-N 401.514 4.202 0 1 HIAF Cc1ccc(N2C(=O)C3(CCN(Cc4nccn4C)CC3)c3ccccc32)cc1C 84710733 XJVXTJXBXKHPAZ-UHFFFAOYSA-N 400.526 4.249 0 1 HIAF O=C(NC1CCCCCC1)c1cc(Br)cn(Cc2ccc(F)cc2)c1=O 103263596 VRYXNVNTWFHKHF-UHFFFAOYSA-N 421.310 4.251 0 1 HIAF O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@@]1(C(=O)c3ccccc3)CC[C@@]2(c2ccccc2)O1 195508164 OXEKLCAFUFECLU-SDDHZKHCSA-N 423.468 4.133 0 1 HIAF COc1cc(-c2c([C@@H]3O[C@H](OC)[C@@H](C)[C@H]3C)cc3c(c2OC)OCO3)ccc1O 238789058 BDGXQQPRVHLWJO-JDLIUEASSA-N 402.443 4.121 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(C4CCCC4)c3F)C2)cc1 261084061 CFIDNHFLDMMECM-MGPUTAFESA-N 412.509 4.128 0 1 HIAF Cc1ccc(C)c(N2C(=O)Cc3c(n(C)c4ccccc34)[C@@H]2C(=O)NC(C)(C)C)c1 299824364 GUMNCVJNYCFGDX-HSZRJFAPSA-N 403.526 4.340 0 1 HIAF CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4ccncc43)CC2)[C@H]1c1ccccc1 299847383 ASPAIZVXHBLSIT-ZWOKBUDYSA-N 406.486 4.180 0 1 HIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)cc1 586930779 GWSSYBIEFYOSFR-UHFFFAOYSA-N 412.902 4.412 0 1 HIAF N[C@@H](N=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985252 MFLZZKFBYMZVEP-ROUUACIJSA-N 414.307 4.234 0 1 HIAF COc1cc(Cl)cc(C=O)c1OCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587064806 GWKSEHNEVRKKSB-UHFFFAOYSA-N 421.162 4.030 0 1 HIAF CNS(=O)(=O)c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587101219 DKDSHWUIWXELBZ-UHFFFAOYSA-N 414.486 4.330 0 1 HIAF N[C@H](N=O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587115914 FAKLHAYNOYPRDY-GFCCVEGCSA-N 400.158 4.130 0 1 HIAF COC(=O)[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587348956 HXONKZPWOWARTL-QNIAMRLHSA-N 418.420 4.446 0 1 HIAF COc1cc2c3c(c1)O[C@@H](C1(c4ccccc4)CCC4(CC1)OCCO4)[C@@H](C2)C3=O 587452855 MCUAHPUBMUOWPJ-WMZHIEFXSA-N 406.478 4.066 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CC2=O 587474863 KLPWYGFTSGFTEL-QIEVIBBNSA-N 401.503 4.182 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccccc1)CC2 587582719 NSGMCKTVOUJSJH-OAQYLSRUSA-N 415.445 4.029 0 1 HIAF COc1cc(C)ccc1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660130 NUTWWTKLMISOQT-UHFFFAOYSA-N 418.424 4.239 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCCN(C)C)c2)N1 587741184 MFBVPXYDQLDOMH-SZNDQCEHSA-N 421.354 4.326 0 1 HIAF Cc1ccc([C@]2(c3nccn3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587757075 URPDDUBUPDFJCX-SZNDQCEHSA-N 414.322 4.456 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3cccc(CO)n3)CCC2)N1 587772877 PITGHDXVEHOGBX-YEJXKQKISA-N 417.322 4.473 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792036 OAOZUGPYGXHZEQ-ZRNGKTOUSA-N 409.299 4.283 0 1 HIAF COc1cc([C@H]2NCCc3cc(C)c(F)cc32)c(Br)c(Cl)c1O 962296214 FORNHFSEGYFMFF-INIZCTEOSA-N 400.675 4.499 0 1 HIAF C[C@@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901717 KPYKOSNSRQHUJA-URXFXBBRSA-N 423.415 4.192 0 1 HIAF COc1ccccc1[C@@]1(c2cccc(C)c2)NCCc2ccc(C(=O)N(C)C)cc21 962922558 KKSWBLZTROVLHY-AREMUKBSSA-N 400.522 4.143 0 1 HIAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc3cc(F)c(F)cc3nc1Cl)NCC2 962930720 YXKXGORIMJFCHA-LJQANCHMSA-N 401.844 4.103 0 1 HIAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCCCN(C)C 2356489047 HYTUDZGQKPADOZ-VJBWXMMDSA-N 422.654 4.488 0 1 HIAF CCOc1c2ccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cc2nn1CC 8762985 MQTYECCKJMFZKP-UHFFFAOYSA-N 407.392 4.284 0 3 HIAF COc1cccc(-c2cc3nc(NCc4ccccc4OC)n(C)c(=O)c3s2)c1 61908186 HOOCZRYUIAMMDN-UHFFFAOYSA-N 407.495 4.291 0 3 HIAF COc1ccc(-c2cnn(C(C)(C)C(=O)NCc3cccc(Cl)c3)c2)cc1OC 205214531 WVABTWWJHUGLGF-UHFFFAOYSA-N 413.905 4.272 0 3 HIAF Cc1ccnc2c(NC(=O)c3ccc(N4C(=O)[C@H]5[C@@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3)cccc12 915690 BLPUCTSDPCUHQQ-UWSKWSKGSA-N 423.472 4.107 0 1 HIAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1O[C@H]1CCCO1 13536023 LQFOHBHJWWQMHJ-SFHVURJKSA-N 406.269 4.446 0 1 HIAF O=C1c2c(O)cccc2C(C(=O)Cc2ccc(Br)cc2)c2cccc(O)c21 13862153 KOFBSISXYWMBGI-UHFFFAOYSA-N 423.262 4.348 0 1 HIAF CCc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(=O)O)c2n1 34270696 URZYTJCGTHKZPQ-UHFFFAOYSA-N 405.401 4.301 0 1 HIAF O=c1cc(OCc2ccc(F)cc2)ccn1Cc1cccc(OCCN2CCCC2)c1 45302334 OSPOQVAMMNQZQR-UHFFFAOYSA-N 422.500 4.089 0 1 HIAF CN1CCC(c2n[nH]c3ccc(S(=O)(=O)c4ccc(C(F)(F)F)cc4)cc23)CC1 71295389 WGKBZBJVYXQAGY-UHFFFAOYSA-N 423.460 4.224 0 1 HIAF CN(C)c1ccc(C(=O)N2CCCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1 71318857 VMCSEFNEMZGBGH-UHFFFAOYSA-N 422.573 4.430 0 1 HIAF F[C@H]1CCNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12 96175079 ABZNMUCRZXRUAU-AZUAARDMSA-N 417.488 4.291 0 1 HIAF FC(F)Oc1ccc(-c2nnc3cncc(N4CC[C@H](c5ccccc5)C4)n23)cc1 103302965 DHFJQIXVZGXHFA-KRWDZBQOSA-N 407.424 4.387 0 1 HIAF CC(=O)Nc1ccc2c(c1)[C@H](c1[nH]c3ccc(Br)cc3c1N=O)C(=O)N2 169722509 KTUYTFLNYYSWEW-OAHLLOKOSA-N 413.231 4.371 0 1 HIAF CC[C@H](C)C(=O)O[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 202685609 PCZOHLXUXFIOCF-UCGHXHQMSA-N 404.547 4.196 0 1 HIAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@@H]4CCCOC4)n3)c(Cl)cn2)CC1 261185770 XJYNNRFFUUQEFR-ULQDDVLXSA-N 416.953 4.351 0 1 HIAF COc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1Cl 587020068 VIZDPMUIEXOAHK-UHFFFAOYSA-N 414.874 4.230 0 1 HIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(C(N)=O)c2[nH]1)c1cccc(Cl)c1 587071231 LCSDVNWANWUFKD-MRXNPFEDSA-N 414.893 4.124 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3ncccc3C(F)(F)F)nc2c1 587109575 ZAXNOLPVYBPWEI-UHFFFAOYSA-N 400.154 4.193 0 1 HIAF Fc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)nc1Br 587155324 KEGGAPMSBIKXSG-UHFFFAOYSA-N 406.440 4.337 0 1 HIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1OC 587338187 QWROLZHZANFVLY-YKSBVNFPSA-N 423.440 4.405 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)([C@H](C)NC(=O)OC(C)(C)C)O2 587388067 VHCAUSABVWBHRT-UPCLLVRISA-N 410.514 4.437 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1)O2 587407727 IXJDRRRWGXEQLS-MYYSRTQBSA-N 407.466 4.492 0 1 HIAF COc1cc2c3c(c1)O[C@](CC(C)(C)C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419158 CTLJPWKJMYHQJK-KSFYIVLOSA-N 400.858 4.492 0 1 HIAF C[C@H](CC(=O)O)[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574059 YLZUQTWAVYIRMR-FCDRKTINSA-N 422.408 4.499 0 1 HIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(C)=O 587600740 POQPZERFSPJRAC-REWPJTCUSA-N 406.390 4.029 0 1 HIAF COC(=O)N(C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 587739132 FZQDNTWFRFIVBG-KPZWWZAWSA-N 407.283 4.437 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCN(C)C)cc2)N1 587739137 FZYYIOZLOAXSJN-RNODOKPDSA-N 407.327 4.152 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c2ccc(Cl)c1F 587739658 VJITWJKKODGYSG-IWEMQMMOSA-N 413.649 4.111 0 1 HIAF Cc1ccc2oc(N)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 587749035 ZVFOJKIILXVVAA-MLCYQJTMSA-N 417.278 4.209 0 1 HIAF Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccccc1 587758282 IJJKRSVQIVMLLO-MPBGBICISA-N 415.310 4.275 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2O[C@H](C)C(=O)O)N1 587798271 ZHUIQEJECWASQR-YRUZYCQGSA-N 408.267 4.064 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSCC(=O)O)(c2ccccc2)N1 587847161 RYSXZHZQGFMISX-CWTRNNRKSA-N 424.335 4.184 0 1 HIAF O=S(=O)(c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1)C(F)(F)F 587951100 RQSZZCCPHSMFFC-UHFFFAOYSA-N 414.449 4.342 0 1 HIAF O=C(COC(=O)/C=C/c1ccc(Cl)cc1)N=c1c2c([nH]c3ccccc13)CCCC2 653854464 NCFVPBIKQCXQSR-SDNWHVSQSA-N 420.896 4.384 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1C 962694563 DQBGQZAKGNAPNR-BTYIYWSLSA-N 402.535 4.400 0 1 HIAF CN(C)C(=O)c1cccc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962963740 WYUOTUFPFAKUJO-HXUWFJFHSA-N 418.459 4.148 0 1 HIAF COc1cccc2cc3c(nc12)[C@H]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)NCC3 963045469 GBTKJPVJZBHVEJ-KLHJMIIUSA-N 411.546 4.466 0 1 HIAF NCCOc1ccc([C@@]2(c3ccccc3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963097407 FAPHWDIZRMJAOR-GJZUVCINSA-N 402.513 4.476 0 1 HIAF CC[C@]1(c2ccc(OCC(=O)O)c(OC)c2)NCCc2c(Cl)cc(Cl)cc21 963115274 VKFUZBRLGWRUNQ-HXUWFJFHSA-N 410.297 4.265 0 1 HIAF NC(=O)c1cc([C@@]2(Cc3ccccc3)NCCc3c(Cl)cc(Cl)cc32)c[nH]1 963123904 PYKBBHZQEOHREV-OAQYLSRUSA-N 400.309 4.052 0 1 HIAF Cc1ccccc1[C@@]1(CCCCC(=O)O)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228608 SUXRPBJQDBOJOY-WIOPSUGQSA-N 418.493 4.031 0 1 HIAF Fc1cc(NC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc(F)c1F 1772570046 IRNWELPJOWEMGB-HAQNSBGRSA-N 400.408 4.409 0 1 HIAF O=C(O)c1cccc(CSc2nc(-c3cccs3)c(Br)c(=O)[nH]2)c1 1857558728 TZERFWGKJFPBEM-UHFFFAOYSA-N 423.313 4.251 0 1 HIAF CC(=O)N1CCc2c(c(-c3cccc4c(Cl)cncc34)nn2C2CCOCC2)C1 1857755160 QRHSMFNSBKWHNZ-UHFFFAOYSA-N 410.905 4.008 0 1 HIAF Cc1ccc(Cl)cc1N=c1nc(C[C@H](C)NC2CC(C)(C)NC(C)(C)C2)[nH]s1 1857764480 JGPDVMWPHBXHJP-AWEZNQCLSA-N 422.042 4.495 0 1 HIAF CO[C@@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]12C 2356507800 HNYWCLCFGNCFCF-PBYOLKGNSA-N 420.590 4.152 0 1 HIAF COc1cc(OC)c(C(=O)Nc2cccc3c2CCN(C)[C@H]3C)cc1Br 4394138 VLYHYDMUTKXEGI-LBPRGKRZSA-N 419.319 4.268 0 1 HIAF CCN(CC)CCC[C@@H](C)NC(=O)c1cc(-c2nccn2C)nc2ccc(C)cc12 5501886 YFLQOQBVEIBODJ-GOSISDBHSA-N 407.562 4.184 0 1 HIAF CCc1c(CC(N)=O)c2cc(SCCCC(=O)O)ccc2n1Cc1ccccc1 13446167 RGAUVAINCRFLMV-UHFFFAOYSA-N 410.539 4.237 0 1 HIAF CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1 13983481 CDZPSYGUMJXDLL-UHFFFAOYSA-N 408.481 4.190 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H]3CCCC[C@@H]3O)CN(C)[C@@H]1C2 27518274 GSCVQDHIWDOSEW-BBTZQSFGSA-N 410.558 4.029 0 1 HIAF Cc1cccc(C)c1NC(=O)CNCCCC(=O)Nc1ccccc1Br 28706760 VKROJEYAHFGMBX-UHFFFAOYSA-N 418.335 4.013 0 1 HIAF C[C@@H]([C@H](O)c1ccc(O)c(C(C)(C)C)c1)N1CCC(O)(c2ccc(F)cc2)CC1 28952049 YFUQTKXRMIUUCZ-AOMKIAJQSA-N 401.522 4.234 0 1 HIAF CS(=O)(=O)c1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)[C@@H](CC(=O)O)CC1 36190299 BCFNIKDKIBXOIX-CQSZACIVSA-N 417.914 4.251 0 1 HIAF COc1cc2nc(NCCCCO)nc(NCc3ccccc3Cl)c2cc1OC 82131575 GHNKEODTUMZDED-UHFFFAOYSA-N 416.909 4.097 0 1 HIAF Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2C(=O)N2CCCC2)c1 82146001 QWBLAMFTEUGJSZ-UHFFFAOYSA-N 404.489 4.482 0 1 HIAF COc1cc(C(=O)c2nc(-c3ccc(Br)cc3)c[nH]2)cc(OC)c1OC 95583423 VHTRZSKIFINYOL-UHFFFAOYSA-N 417.259 4.096 0 1 HIAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cccc(C)c3)cc2)cc1 100106671 FCATZLUSBQEYRT-LNWKWYTESA-N 418.562 4.099 0 1 HIAF CCC(=O)CC[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 118924653 AAOYRDOLIWFRIW-MKRBMIMYSA-N 420.634 4.343 0 1 HIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(CC)c2)c1 169707315 QVANEKOQGFDKRS-FQEVSTJZSA-N 416.525 4.129 0 1 HIAF CCN1CCC(N(C)c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CC1 205436161 WGMPSBONQCGIOX-UHFFFAOYSA-N 408.477 4.055 0 1 HIAF CC(C)n1ncc2c1C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 220420478 ZBKQSWPCHUEZBL-QGZVFWFLSA-N 417.296 4.219 0 1 HIAF Cc1ncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C)c1Br 586979269 VHLCPYQGOONBEZ-UHFFFAOYSA-N 406.593 4.418 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4c(cc3[nH]1)OCO4)N2 587033387 YZRIHBQVKZUCIC-UWJMNNEMSA-N 414.512 4.419 0 1 HIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587043771 UZXXYJICMGQRSM-KRWDZBQOSA-N 413.865 4.197 0 1 HIAF CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cccnc2[nH]1 587222729 ZNMCMCGPQLGNNQ-QGZVFWFLSA-N 410.474 4.047 0 1 HIAF COC(=O)C[C@@]1(Cc2cc(F)c(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501351 BMARQPQNEYYXJO-HSZRJFAPSA-N 418.411 4.493 0 1 HIAF CC(C)c1ccc(C(=O)Nc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587554170 JNVXYVPYEWJPLH-UHFFFAOYSA-N 400.438 4.479 0 1 HIAF CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)n1 587556976 PPBWQWOUMFHEFU-QAPCUYQASA-N 404.344 4.330 0 1 HIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585069 CHJNZKCADMDFMA-XIUXGDNYSA-N 423.465 4.264 0 1 HIAF C[C@]1(c2cccc(N3CCCC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597029 UCLHZDWFVOYRTL-RCZVLFRGSA-N 415.445 4.396 0 1 HIAF CCN(CC)c1ccc(-c2nn(C(=O)NC3CCCC3)c(=O)c3ccccc23)c(O)c1 587664385 FWABLUWMHGHIQT-UHFFFAOYSA-N 420.513 4.116 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(CN=O)=COc1ccccc12 587739000 FLOWYURYTPSYKJ-JEOXALJRSA-N 403.251 4.409 0 1 HIAF Cc1ccc2oc(N)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587743749 FJSNCUNFOLRURM-MGNBDDOMSA-N 417.278 4.209 0 1 HIAF C[C@H]1CN(Cc2ccccc2)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587760179 JGJPDGJNKOYJCY-ZSDSOXJFSA-N 403.339 4.470 0 1 HIAF CCCNc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587854385 TWNKCIMOXXQJEX-MGNBDDOMSA-N 412.372 4.973 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C(F)(F)F)n[nH]1 587861980 YWSHSBGXPAANST-UHFFFAOYSA-N 404.270 4.008 0 1 HIAF C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCCCC2)S3)CCC[C@H]1C 618007511 KBBJJNFHPXWHTL-XCLVFQIOSA-N 401.576 4.097 0 1 HIAF Cc1cc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)nnc1Cl 653669369 SXBULXXRUIFERC-ZDUSSCGKSA-N 409.873 4.498 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2C)NC2(CC2)Cc2ccc(Br)cc21 961319561 JCGYWMLNKLHXPV-NRFANRHFSA-N 400.316 4.243 0 1 HIAF C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)c3c(F)cccc3C[C@H]3CCCN32)C1=O 963111481 ODNPSPXEISPLPK-FZOAFFARSA-N 406.501 4.090 0 1 HIAF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2C[C@H]3CC[C@H]2C3)cn1 1772623181 WMQAHZDDTGBJQY-YEWWUXTCSA-N 405.329 4.047 0 1 HIAF COc1ccc(CCCNc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC 1857563611 FHCSGFCICRLMJX-UHFFFAOYSA-N 422.407 4.228 0 1 HIAF O=S(=O)(c1ccc2cccnc2c1)n1cc(C2=CCNCC2)c2cc(Cl)ccc21 1857612310 MSWZLRLBKLDMKM-UHFFFAOYSA-N 423.925 4.457 0 1 HIAF CC(=O)O[C@]1(C)[C@@H]2c3cc4oc(-c5ccccc5)cc(=O)c4cc3O[C@H]2OC1(C)C 2356713548 MEZWCMSJPRUAKQ-AOHZBQACSA-N 406.434 4.393 0 1 HIAF CC(C)C(=O)O[C@@H]1C[C@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@]21C 2356721924 SNZFZCATEUKWED-MTIBJUKJSA-N 406.563 4.275 0 1 HIAF CN(CCCCN1CCCC1)CCCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1 6010398 NIIHIKGKIFIVBC-UHFFFAOYSA-N 414.421 4.192 0 1 HIAF CCCCc1cnnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn12 13861637 DNUXACKDHSOIBB-UHFFFAOYSA-N 424.501 4.344 0 1 HIAF CC(C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@H](C(C)(C)O)O2 14585990 KYQBNYMPQRSMLV-MRXNPFEDSA-N 408.450 4.079 0 1 HIAF endogenous,in-man O=C(c1cnc(N2CCCCC2)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1 21651035 MYCBZNRUIXKAMT-UHFFFAOYSA-N 418.516 4.327 0 1 HIAF CC[C@H](O)[C@@H](O)n1c(=O)c(-c2ccc(F)cc2)c(-c2ccncc2)c2ccccc21 29039976 HGDZRTCSWAZCQY-NZQKXSOJSA-N 404.441 4.131 0 1 HIAF CCSC(=S)SCC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 40934651 JNOFCFLOICBBCN-UHFFFAOYSA-N 411.595 4.441 0 1 HIAF CCCCc1ccc(CN(Cc2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 43013790 WMJQFJNBLGORJF-UHFFFAOYSA-N 403.544 4.008 0 1 HIAF O=C(O)COCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1 45353166 BHCJZNGDYXVVII-UHFFFAOYSA-N 416.477 4.307 0 1 HIAF C[C@H]1CN(c2nnc(-c3cccnc3)c3ccccc23)CCN1C(=O)c1ccccc1 49035582 FURZQUUFGCPYIO-SFHVURJKSA-N 409.493 4.043 0 1 HIAF c1cncc(-c2cncc(-c3cnc(Nc4cc(N5CCOCC5)ccn4)s3)c2)c1 84614485 NWDVUFMFJOBAFA-UHFFFAOYSA-N 416.510 4.242 0 1 HIAF O=C(Nc1cccc(Br)n1)Nc1cccc2c1[C@H]1CCCCN1C2=O 95573984 BIDYUGXUCHBVIV-CYBMUJFWSA-N 401.264 4.169 0 1 HIAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4F)C[C@H]23)cc1 95873545 RDEQLRCOXKGDQP-QWRVKZSASA-N 423.532 4.315 0 1 HIAF COc1ccc2c(c1)CCCN2c1cc(Br)cc(C(=O)NC2CC2)c1 96910968 HYOBVXAUEHOWFL-UHFFFAOYSA-N 401.304 4.434 0 1 HIAF COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)/C=C\c1ccc(O)c-2c1 164846176 CDTGNBVPXHNHGE-RSVAXJBXSA-N 421.493 4.401 0 1 HIAF Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1N1CCc2nc(N)ncc2C1 169710102 OFIGQJPITSATRF-UHFFFAOYSA-N 401.514 4.306 0 1 HIAF CCCCn1c(O)c2n(c1=O)[C@H](c1ccc(OC)cc1)c1c(c3ccccc3n1C)C2 169717803 GEEVBQJPONUBOQ-JOCHJYFZSA-N 417.509 4.198 0 1 HIAF Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCCC3)cc2F)cn1 224826854 VTDMPJMBZNNQKU-UHFFFAOYSA-N 412.490 4.033 0 1 HIAF CC(=O)N1c2ccccc2Sc2ccc([C@]3(O)CN(C)[C@H]4CCCC[C@H]4O3)cc21 261113675 ILKCLTYYJHHDOS-WGGBDISSSA-N 410.539 4.254 0 1 HIAF CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 299875467 CZLSVMXLHBIJOW-NXXWWENFSA-N 417.557 4.272 0 1 HIAF Cc1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c(C)n1 586961853 TVPUOSHMUFQYMS-AHRSYUTCSA-N 410.543 4.269 0 1 HIAF Cc1c(Br)ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587006639 PGGDDSYKRLLIBU-UHFFFAOYSA-N 407.069 4.106 0 1 HIAF CC(C)OC(=O)C1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC(F)(F)C1 587130779 QLNNUNSJJQJHBN-UHFFFAOYSA-N 409.177 4.222 0 1 HIAF CC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587171480 PTRKCXPUOIQUQI-UHFFFAOYSA-N 409.442 4.372 0 1 HIAF Nc1cc(C(=O)O)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587250175 XFWDDVFCBOEVJL-UHFFFAOYSA-N 416.153 4.171 0 1 HIAF O=C(O)c1ccc2c(c1)OC=C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355712 GEQUUTAYKGWLDO-QPPBQGQZSA-N 418.376 4.390 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3ccnc3)c(Br)c1)O2 587378969 XXUKEVFNUREPBD-FQEVSTJZSA-N 412.287 4.406 0 1 HIAF CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417585 CKLHENRNWNEEFZ-PMAPCBKXSA-N 414.885 4.277 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(F)cc2)c1 587569719 JADIHOZPPZYUHO-NFBKMPQASA-N 402.381 4.420 0 1 HIAF Cn1ccnc1C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580471 YCENCGFRHIASOA-RDGATRHJSA-N 412.445 4.226 0 1 HIAF CN1C(=O)CCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587599108 ZQUCZTYNQVNZDE-ZJSXRUAMSA-N 401.418 4.004 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cccnc2Cl)N1 587708019 XKXDJHRJDATUMJ-ZQFPPLQWSA-N 424.745 4.490 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCNC(=O)OCc2ccccc2)N1 587756957 SNWXRKFOUSHHOE-YJYMSZOUSA-N 421.310 4.480 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C)N(C(=O)OC(C)(C)C)C2)N1 587759564 GKQGWOOTVWPLJC-CLUVUEOHSA-N 413.331 4.347 0 1 HIAF COC(=O)c1[nH]c(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587794401 UQSYNHDNHQDEJP-HOGDKLEQSA-N 409.299 4.117 0 1 HIAF COC(=O)c1coc2c1[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587827337 JLYAVIXRDKXZPJ-OVWNDWIMSA-N 408.267 4.082 0 1 HIAF Oc1cc(-c2cccc(Br)c2)c(O)n1-c1ccnc(Br)c1 587941549 WDUVVNQIRONOQO-UHFFFAOYSA-N 410.065 4.476 0 1 HIAF CC1=C2CCC(=O)[C@@]2(C)CC[C@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962663098 JIMAUEXRFVVPGE-ISJGIBHGSA-N 404.510 4.008 0 1 HIAF Cc1ccccc1-n1cc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cn1 962699507 ORQLNWDPDKPHPG-PKOBYXMFSA-N 419.378 4.027 0 1 HIAF C[C@]1(c2cccc3c2OCO3)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963674 YMARKZXEZQQBKG-FQEVSTJZSA-N 405.416 4.349 0 1 HIAF O=c1cc(Cn2cc(CSc3nc4ccccc4[nH]3)nn2)c2ccc(Cl)cc2o1 1857542819 AONLJRCRXKJTHS-UHFFFAOYSA-N 423.885 4.255 0 1 HIAF CCOCC(=O)NCCCCN=c1cc(/C=C/c2ccccc2)[nH]c2ccccc12 1857605680 CMJQNOWEJDRMBS-CCEZHUSRSA-N 403.526 4.172 0 1 HIAF COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4ccccc4Cl)CO3)c2c1 1857642705 YZRPKNNJMRWHIL-RXAXNXDRSA-N 412.917 4.361 0 1 HIAF COc1cc(NC(=O)c2ccnnc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 13682505 RNGPMHWRDUKQAT-UHFFFAOYSA-N 416.359 4.009 0 3 HIAF Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Br)cc2)s1 836821 DUCAGZWZZJKLLU-UHFFFAOYSA-N 409.330 4.195 0 1 HIAF O=C(O)c1ccccc1-c1ccc(Cn2c(C3CC3)nc3c(C(=O)O)ccnc32)cc1 1484079 PSJHZGDAMLMKFJ-UHFFFAOYSA-N 413.433 4.420 0 1 HIAF O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F)N1CCOCC1 4077573 MNMPIGMRBIGOLD-IEBWSBKVSA-N 423.271 4.083 0 1 HIAF O[C@@H](COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12 26978723 QPVCARYMJPFDQI-JOCHJYFZSA-N 403.522 4.239 0 1 HIAF CSc1ccc([C@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1 27733876 MLSZXJCNMSDLMX-RTBURBONSA-N 423.003 4.164 0 1 HIAF CCCc1cccc([C@]2(c3ccc(OC(F)(F)F)cc3)N=C(N)N3CCCN=C32)c1 38239456 UZPWRQOCXKHIDG-NRFANRHFSA-N 416.447 4.214 0 1 HIAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCN3CCOCC3)C[C@H]12 73159707 OQOGMEFNRHFVDB-FRQCXROJSA-N 421.507 4.117 0 1 HIAF COc1ccccc1CCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccco1 82216546 FNIIEVSCNIKUFJ-UHFFFAOYSA-N 420.513 4.462 0 1 HIAF CC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3nccs3)CC2)c1 84619812 XJODWNGVERGAGS-UHFFFAOYSA-N 407.543 4.240 0 1 HIAF CCc1cc(Nc2nc(Nc3ccc4nc(C)cc(N)c4c3)nc(SC)n2)ccn1 98084093 YWLYURBPMIMNRX-UHFFFAOYSA-N 418.530 4.477 0 1 HIAF Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)n1 142921774 CDYMECDOYLYYMF-UHFFFAOYSA-N 401.495 4.033 0 1 HIAF Cc1ccc(-n2c(COc3ccc4ccccc4c3)nnc2SCC(=O)O)cc1 169323752 BBIVVOMVILDPJV-UHFFFAOYSA-N 405.479 4.485 0 1 HIAF CN(CCCCCCn1c(O)c2n(c1=O)Cc1ccccc1C2)Cc1ccccc1 169718930 RWAPURHAIHQIDI-UHFFFAOYSA-N 405.542 4.000 0 1 HIAF CC(=O)N1CCc2c(c(-c3cccc(C(F)(F)F)c3)nn2Cc2ncccc2C)C1 204896627 MXJGOIDFIKRWMM-UHFFFAOYSA-N 414.431 4.225 0 1 HIAF C[C@@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 473105436 SIZSYSCZGKCDPI-LLVKDONJSA-N 421.810 4.229 0 1 HIAF CCOCc1cc(C)cc(Cc2ccc(-c3noc([C@@H]4CCCN4C(=N)N)n3)cc2)c1 473150921 NKQLXCMMJCAFLM-NRFANRHFSA-N 419.529 4.203 0 1 HIAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 586936256 IGKLBCFPLGSUCQ-SFHVURJKSA-N 414.918 4.440 0 1 HIAF Cc1ccc(C)c2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc12 586945027 BNKKEPDHAUYWJF-UHFFFAOYSA-N 403.554 4.448 0 1 HIAF O=C(O)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 587230744 HZZZPEYLTRVWMQ-UHFFFAOYSA-N 416.437 4.150 0 1 HIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 587350156 WUOAYHAEUKGWGC-ZJSXRUAMSA-N 417.392 4.352 0 1 HIAF COc1cc2c3c(c1)O[C@@H]([C@H]1Cc4ccccc4CN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587437625 LCNQDMRGBBNCGS-YCRNBWNJSA-N 421.493 4.173 0 1 HIAF Nc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br 587540724 QTFLVSSIJQIROD-YLJYHZDGSA-N 412.239 4.440 0 1 HIAF Cn1ccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587568939 GJYXAURYNJBTDB-XUZZJYLKSA-N 416.408 4.170 0 1 HIAF CC(C)(C)OC(=O)NCC1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587579497 OICDBVBIRJTLSY-SCTWRPTPSA-N 411.454 4.027 0 1 HIAF CCOC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587593046 BSYFYUXPEOKXMJ-HYBUGGRVSA-N 404.418 4.446 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccncn2)s1 587614758 UCYYKLVFWHVTIG-XLIONFOSSA-N 403.419 4.009 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(C(=O)O)N1 587729028 BRZKHEJEQXFZQY-XUAOIPRYSA-N 408.242 4.255 0 1 HIAF COC(=O)/C=C/c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587809521 ROPWABKVYOFOSI-OEFQTELASA-N 404.279 4.398 0 1 HIAF CCN(C)C(=O)Oc1cccc([C@@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1 962617118 BSUBDUIQXXLUGU-GYCJOSAFSA-N 412.530 4.294 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(c1ncc(Br)cc1C)N(C)[C@@H](C)C2 962620432 HNVLYBDKLJIOBY-RNODOKPDSA-N 405.336 4.310 0 1 HIAF CC(C)[C@]1(c2ccc(F)cn2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186840 LJAFPNTXRXDMIJ-FZKQIMNGSA-N 416.802 4.391 0 1 HIAF Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1[C@H]1CC[C@H](C)CO1 1772653310 SUECNHKSTARKJF-SUMWQHHRSA-N 416.522 4.037 0 1 HIAF C[C@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1Cl 1857593632 VRPBEXXAJILOFI-ZDUSSCGKSA-N 415.900 4.384 0 1 HIAF COc1nc2ccccc2n1Cc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1 1857603611 WQUZFCJEDAPESJ-UHFFFAOYSA-N 413.481 4.120 0 1 HIAF COc1cc(NC(=O)Nc2cc(Nc3cc(F)ccc3OC)ncn2)cc(OC)c1 1857619610 IVEHYPHIZUJTNX-UHFFFAOYSA-N 413.409 4.029 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13C[C@@H](C=C[C@@H]21)[C@@](C)(O)C3 2356738323 JUJCSASCNCKTOP-GLVNRMKBSA-N 404.547 4.031 0 1 HIAF CC=C(C)[C@@H]1C(C)=C[C@@H]2CC[C@H](OS(=O)(=O)O)[C@H](C)[C@@H]2[C@@H]1C=CC=CC(=O)O 2356829466 IYRMAAQKPZZPSB-CEMGKJSLSA-N 410.532 4.192 0 1 HIAF CC(C)(C(=O)NCc1cccc(Cl)c1)n1cc(-c2ccc3c(c2)OCCO3)cn1 205228632 CDFGLYYISXRJOM-UHFFFAOYSA-N 411.889 4.026 0 3 HIAF CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 263591346 XEKUMIDAHMMSES-ULOLCFCTSA-N 402.623 4.168 0 3 HIAF CC(C)C[C@H]1[C@@H](OCc2ccccc2)COS(=O)(=O)N1[C@H](C)c1ccccc1 5840997 MTQJMWTYIRKCLO-COPCDDAFSA-N 403.544 4.325 0 1 HIAF O=S(=O)(c1ccccc1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccccc1 8590358 BQZCVLQKDCUEFD-UHFFFAOYSA-N 424.913 4.448 0 1 HIAF O=C(O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2O[C@@H]1c1ccc2c(c1)OCO2 13473351 JJLDJASXHCEZBR-HSZRJFAPSA-N 416.385 4.164 0 1 HIAF CC(=O)O[C@H](CCCCCCCCCCCO)Cc1cc(O)cc(O)c1C(=O)O 15117880 IBGMKKHYCCQKNX-LJQANCHMSA-N 410.507 4.164 0 1 HIAF biogenic Cc1ccc(-c2nc(NC(=O)COc3ccccc3F)cc(-c3nccs3)n2)o1 29041622 OUSRTLFULTUCSU-UHFFFAOYSA-N 410.430 4.325 0 1 HIAF CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2CCc2ccccc2)CC1 29053362 MOKMULSVSYWIEJ-UHFFFAOYSA-N 401.341 4.474 0 1 HIAF O=C(O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 34075156 WGOJWAPMMYTFMQ-UHFFFAOYSA-N 419.949 4.158 0 1 HIAF C[C@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)OC4)[C@@]3(C)[C@H](O)C[C@@H]12 34167527 BHUWRPVVYSATJU-QDNKKCNYSA-N 402.575 4.242 0 1 HIAF in-vitro O=C(c1nn(-c2ccc(Cl)cc2)cc1O)n1nc(-c2ccco2)cc1C(F)(F)F 49066868 BPPGGQRXASLINR-UHFFFAOYSA-N 422.750 4.395 0 1 HIAF CN(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc2ncnn2c1 96914922 GYXFLCZOXIFYAH-UHFFFAOYSA-N 409.449 4.133 0 1 HIAF Cn1cc(-c2cc(OCCCCO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144846576 QTRPVHUUUZPPER-NRFANRHFSA-N 418.415 4.017 0 1 HIAF CCc1nn(Cc2ccc(C)nc2)c2cccc(NC(=O)c3cnc4ccccn34)c12 169706584 JMNQZEVFQQRSQH-UHFFFAOYSA-N 410.481 4.250 0 1 HIAF CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)o1 299877045 GQVJCKBBXNGZDU-HDSHLONJSA-N 415.486 4.383 0 1 HIAF Oc1ccc(C2(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)CCOCC2)cc1 586912548 GQSAFQHZIAMNIF-UHFFFAOYSA-N 413.346 4.414 0 1 HIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 586917236 RQRHHMIGQMDDMJ-CWTRNNRKSA-N 401.260 4.247 0 1 HIAF COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OC)nc1OC 586988135 LQBALWIGPWAQAJ-UHFFFAOYSA-N 414.417 4.240 0 1 HIAF CN(C)C(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 587032174 RQNFUWHKIWADFY-UHFFFAOYSA-N 415.316 4.491 0 1 HIAF Cc1onc(-c2nc3nc(Br)c[nH]c-3n2)c1COc1ccc(Cl)cc1 587075486 JOJMOHYSGOEHSU-UHFFFAOYSA-N 420.654 4.263 0 1 HIAF CCn1cc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587334764 YOQFBLKRZHUCOL-RXVVDRJESA-N 402.372 4.267 0 1 HIAF O=C1C[C@H](c2ccccc2OCC(=O)N2CCCC2)Oc2c1ccc1c2CCCC1 587512330 CPIBKUNVOGIGHI-HSZRJFAPSA-N 405.494 4.273 0 1 HIAF CC(C)(C)OC(=O)N1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583776 UUAMWISPPMSKSU-MBSDFSHPSA-N 411.454 4.124 0 1 HIAF CN1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(C=O)c21 587592694 IOZWZQIGVOWPGX-SQJMNOBHSA-N 415.445 4.290 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc(O)cc1 587594086 KERLSPUDYPHRIY-WMZHIEFXSA-N 400.390 4.191 0 1 HIAF CCCNc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614045 QYSLYKASQADDMQ-HTAPYJJXSA-N 410.495 4.856 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2N2CCOC2=O)N1 587768053 SOMUJYROVJBCOA-YUNKPMOVSA-N 419.294 4.343 0 1 HIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 587787714 WCLKJBHCIZEKPL-KGLIPLIRSA-N 418.234 4.111 0 1 HIAF COC(=O)[C@H](C)Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587796757 VCUBIJHLKZRSHC-UYSIFFEZSA-N 422.294 4.152 0 1 HIAF COc1ccc2[nH]c(O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587802331 LGULKUCPDZWGSE-DYBLOJMWSA-N 405.267 4.407 0 1 HIAF COc1cc(OC)c2c(c1)OCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587831745 AAUWALJHLUPTGU-PRWKNARSSA-N 422.294 4.166 0 1 HIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(I)cc3[nH]2)cc1 587936344 KQYBQTKEABZLMF-MGPLVRAMSA-N 408.239 4.013 0 1 HIAF CC(C)(C)[C@]1(c2ncco2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963180068 GAMPIZFRUKKDJB-DIFFPNOSSA-N 402.800 4.235 0 1 HIAF CCCCN(CCC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 1772626343 XZUWJVJVVBARGQ-UHFFFAOYSA-N 415.582 4.170 0 1 HIAF c1ccc(CCn2c(CCc3cnc[nH]3)nnc2CCc2c[nH]c3ccccc23)cc1 1857604159 JXXJRKXRZXOISP-UHFFFAOYSA-N 410.525 4.296 0 1 HIAF CC[C@H](C)NC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2ccc(C)cn12 1857614131 SKSKAMRYHHYBSJ-ZDUSSCGKSA-N 418.419 4.442 0 1 HIAF O=c1c2cnn(CC3CC3)c2nc(SCc2cccc(F)c2)n1-c1ccccc1 1857647648 LCTDEBWGGOLDFQ-UHFFFAOYSA-N 406.486 4.424 0 1 HIAF C[C@]1(C(=O)Nc2ccc3[nH]cnc3c2)CCN1C(=O)C1(c2ccccc2)CCCC1 61925745 ISAYDBKGRHOEMP-HSZRJFAPSA-N 402.498 4.004 0 3 HIAF Cc1ccc(NC(=O)CN2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1C 203474780 NOLNEEHIWDCHGV-UHFFFAOYSA-N 406.555 4.188 0 3 HIAF CNc1nc2cnc(Nc3cccc(F)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 205225580 BFFHKRAWHKPCLA-UHFFFAOYSA-N 423.448 4.371 0 3 HIAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCc1ccccc1N 771704 AQYZSFQCRXCLCL-RBBKRZOGSA-N 421.522 4.137 0 1 HIAF CC(C)OCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 4909859 WDSXYPVEAVGVNP-DHIUTWEWSA-N 419.525 4.010 0 1 HIAF CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(Cl)cc1)S2(=O)=O 8673303 RNRHUNFLOWRQMY-UHFFFAOYSA-N 403.916 4.228 0 1 HIAF O=C(O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1Br 14960356 XLRSUECDXLGZSH-UHFFFAOYSA-N 401.220 4.130 0 1 HIAF Cc1cc(C)cc(COC[C@@H](NCC(N)=O)C(c2ccccc2)c2ccccc2)c1 29549977 PEMJJXJCZVQVTB-XMMPIXPASA-N 402.538 4.096 0 1 HIAF CN(C(=O)C(C)(C)C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 43061452 OBKWTJQXEGSJAY-UHFFFAOYSA-N 413.949 4.311 0 1 HIAF CCCN(CC1CC1)c1ncc(-c2cccc(CNCC[C@@H]3CCCN3C)c2)cn1 45167982 HMBREJCXKAPQSA-DEOSSOPVSA-N 407.606 4.344 0 1 HIAF O=C(NCCc1cccc(F)c1)c1cnc(N2CCCCC2)nc1-c1ccccc1 82133355 MUDWMJKAZCROGS-UHFFFAOYSA-N 404.489 4.246 0 1 HIAF COCCCNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC(C)(C)O2 82177668 PZQCGOPOEBSHGX-OAQYLSRUSA-N 414.521 4.027 0 1 HIAF Cc1c(Cc2cnn3c(Cl)cc(N4CCOCC4)nc23)cccc1C(F)(F)F 95583053 DROXDHRFPNDVLL-UHFFFAOYSA-N 410.827 4.137 0 1 HIAF Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)nc1)C2=O 96286162 FOFBYGHDKURTMS-UHFFFAOYSA-N 412.537 4.471 0 1 HIAF COc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)c1 100106727 UUDWUAYDSTVMFH-BKFWDETESA-N 417.484 4.473 0 1 HIAF CC1=C[C@@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(Cl)cc3)C(=O)[C@H]21 101922334 QIJAKJCZCKPPNN-QXDIGNSFSA-N 417.962 4.011 0 1 HIAF N[C@H]1CC[C@H](Nc2cc(-c3cccc(NC[C@@H]4CCCOC4)n3)c(Cl)cn2)CC1 261141591 NDOZPWULCVWYRD-ULQDDVLXSA-N 415.969 4.317 0 1 HIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(S(=O)(=O)N(C)C)cccc2[nH]1 587065906 DNAIGSBLEOFMQE-UHFFFAOYSA-N 414.918 4.233 0 1 HIAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1F 587144597 OLMLKSBRHQIMNY-UHFFFAOYSA-N 417.440 4.310 0 1 HIAF Cc1cc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2cc1Br 587194166 NHLGNNIETUTBTH-CYBMUJFWSA-N 411.344 4.151 0 1 HIAF CCOC(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333869 DAAHVJKMWBALPI-VWNXMTODSA-N 421.424 4.134 0 1 HIAF COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)[C@@H](c1ccccc1)O2 587407826 FDNKTBYKUQWIBE-RDGATRHJSA-N 415.445 4.149 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(NC(=O)C(C)(C)C)c(Cl)n1)[C@@H](C2)C3=O 587420916 KAHLJJWEUWOFAP-KPZWWZAWSA-N 400.862 4.217 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(OC(F)F)cc1)[C@@H](C2)C3=O 587424855 WLVLHVUZYHZHAW-IGONNILYSA-N 401.409 4.015 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587443886 QKGAIPCJWDXHOT-YADARESESA-N 416.429 4.461 0 1 HIAF COc1cc2c3c(c1)O[C@](CCc1ccccc1)(CP(=O)(OC)OC)[C@@H](C2)C3=O 587448898 MRFBJMAGUZYINL-PGRDOPGGSA-N 416.410 4.300 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2N2CCOCC2)N1 587723839 YRCQOHYQUHHHDD-BUXKBTBVSA-N 423.301 4.188 0 1 HIAF COc1ccccc1[C@@]1(CNC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756672 RZYCWAHRHUQWIX-LHSJRXKWSA-N 421.354 4.373 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)OC(C)(C)C)CC2)N1 587770187 QYESRGZAASUTGI-GFCCVEGCSA-N 413.331 4.349 0 1 HIAF CC(C)COC(=O)N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587770208 RBKDUGNTJHXBDO-ZDUSSCGKSA-N 413.331 4.206 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C(=O)OC(C)(C)C)CC2)N1 587771226 WCXKVSAIRFVOHZ-CWTRNNRKSA-N 411.315 4.472 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cnccc12 587779630 VARXYTZZULDGCC-AMXDTQDGSA-N 423.285 4.354 0 1 HIAF COc1cccc(/C=C/[C@@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587804380 BBQIMGLONKZPML-WGOCBILJSA-N 420.278 4.124 0 1 HIAF COc1cccc(/C=C/[C@@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587805057 DAHIJQOHWIHZKG-LIVVEMJYSA-N 420.278 4.124 0 1 HIAF COc1ccc([C@]2(/C=C\C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587812239 YUTWQAAFEKVVSI-ZZCRCUEWSA-N 420.278 4.015 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 587872065 INNLDGVAYDQIIC-KRWDZBQOSA-N 407.445 4.090 0 1 HIAF Cc1[nH]c([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)cc1C(=O)O 961749228 MLGDXBCPBGPECK-HXUWFJFHSA-N 411.502 4.262 0 1 HIAF CN(C)c1cccc(Cl)c1[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962658358 CNMLEYZYWAMLDC-REWPJTCUSA-N 409.917 4.142 0 1 HIAF O=C([C@H]1Cc2ccccc2[C@H](c2cn3cc(Cl)cc(Cl)c3n2)N1)C(F)(F)F 962728487 DXPYMVCFGSIZCP-UKRRQHHQSA-N 414.214 4.376 0 1 HIAF Cc1cccc(OCc2cn(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)nn2)c1 1857576051 WQXDLTKDRVCDRA-UHFFFAOYSA-N 423.480 4.061 0 1 HIAF Nc1cccc([C@H](OCCN2CCCCC2)c2cc3nccc(C(=O)O)c3s2)c1 1857651680 FTKYSFLMVOPKTH-FQEVSTJZSA-N 411.527 4.169 0 1 HIAF CC(C)CNC(=O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356612150 VJYDYOYYSFAXSI-CVBBGBGHSA-N 405.538 4.217 0 1 HIAF C/C=C1\CO[C@](C(=O)NCCN2CCCC2)(C(F)(F)F)C=C1C=C1CCCCC1 13828957 SFBIOLLOMCGUCC-FXNUXSGLSA-N 412.496 4.293 0 3 HIAF CC(C)c1ccc(C(=O)N2CCOC[C@@H]2c2cc(C(=O)Nc3ccccc3)no2)cc1 61897211 TXWMWTADTSGFNT-OAQYLSRUSA-N 419.481 4.264 0 3 HIAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1OC 775202 DORXOKAHBMWNAE-KSSFIOAISA-N 412.461 4.293 0 1 HIAF O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N1c2ccccc2CC12CCCC2 22941296 UXSXSSBOLOHWNU-UHFFFAOYSA-N 423.988 4.360 0 1 HIAF CC1([C@H](O)/C=C/[C@@H]2[C@H]3C/C(=C/CCCC(=O)O)C[C@@H]3C[C@H]2O)Cc2ccccc2C1 26143464 MQWSTBYQAHHSQY-BQVMNPQASA-N 410.554 4.297 0 1 HIAF O=C(NCc1ncc(-c2ccccc2)[nH]1)Nc1ncc(Sc2ccccn2)s1 28710346 LBPFTVJCIOEKBZ-UHFFFAOYSA-N 408.512 4.401 0 1 HIAF C[C@@H](c1ccc(O)cc1)[C@H](O)/C=C/[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 29469679 XAKUZHBVDGUKLO-KIMTYUMSSA-N 400.515 4.408 0 1 HIAF COc1ccc(CCN2CCC([C@H](O)c3cccc(OCCF)c3OC)CC2)cc1 40950367 YTQJBBJHLKKOLR-QHCPKHFHSA-N 417.521 4.040 0 1 HIAF CO[C@]1([C@@H]2CSC(=O)N2C)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 45352090 ZBEGSVSIVKRYDW-DWRTXULVSA-N 423.575 4.300 0 1 HIAF O=C(NC1CC1)c1ccc(Cl)c(Nc2nncc3c2cnn3-c2cccc(F)c2)c1 49068462 PTPPUAJLZKQZQU-UHFFFAOYSA-N 422.851 4.244 0 1 HIAF COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@H](C)C1 71317769 QZOZSUVAWOGZQQ-OAHLLOKOSA-N 410.905 4.090 0 1 HIAF CCN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 73293123 ZXNAXEZHUKKKTA-UHFFFAOYSA-N 419.451 4.439 0 1 HIAF CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCC1=CCCCC1 82082104 HZFLMUFZAHNGOC-GOSISDBHSA-N 401.532 4.164 0 1 HIAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NCC3CCCCC3)c2cc1OC 82125423 XDZGFQQBYFTVJQ-INIZCTEOSA-N 400.523 4.230 0 1 HIAF CCOCC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 100636727 POFKKAQUIQQULJ-BGYRXZFFSA-N 413.562 4.142 0 1 HIAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](Oc2ccccc2C(=O)O)CC1 101110687 UHXYWVLCWHQMMN-PQODNNDASA-N 412.530 4.343 0 1 HIAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1C 101417728 QOLHUCVLXVPCQL-NUJGCVRESA-N 412.490 4.057 0 1 HIAF CC[C@H](C)C(=O)O[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 105489422 PCZOHLXUXFIOCF-CVRRMIMLSA-N 404.547 4.196 0 1 HIAF O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2)[C@@H]1C(=O)c1cc2ccccc2o1 169688698 FTYVNZMAQAGQDZ-MSOLQXFVSA-N 402.431 4.045 0 1 HIAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)nn(C)c3C)c12 225372678 NYQXIJGSGRXQON-UHFFFAOYSA-N 402.458 4.409 0 1 HIAF Cc1c(C2CN(C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)C2)sc2ccccc12 299824237 AFINXHDSKJHHKG-RMKNXTFCSA-N 403.507 4.129 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2ccc(F)cc2)cc1 299856379 BRJRJWOWPFJJDT-FYYLOGMGSA-N 421.497 4.001 0 1 HIAF Cc1nn(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C)c1Br 586979018 OBPDOOFNUMNHAD-UHFFFAOYSA-N 424.171 4.236 0 1 HIAF Brc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cn1 586998648 NEHFPIINUXSALE-OWOJBTEDSA-N 423.064 4.382 0 1 HIAF CCCn1cnc2cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)cc(Br)c21 587005103 NFJJDMCIMOWBGP-UHFFFAOYSA-N 411.263 4.334 0 1 HIAF C[C@H](O)c1ncc(-c2nc3cc(Br)c(Br)cc3[nH]2)s1 587021057 FAYGBKPIAXUYJF-YFKPBYRVSA-N 403.099 4.265 0 1 HIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587114268 YHZOEWVKLUFPTA-QGZVFWFLSA-N 401.310 4.399 0 1 HIAF CCOc1cc(/C=C\c2nc3ccc(S(C)(=O)=O)cc3[nH]2)ccc1OC(F)F 587129727 FQAICHYYJDPFBB-UITAMQMPSA-N 408.426 4.137 0 1 HIAF Cc1nc(C(F)(F)F)c(C(=O)c2c(CO)oc3cc(Br)cnc23)s1 587275931 HFOQYYYMWWCBMN-UHFFFAOYSA-N 421.194 4.097 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2Cn2cncn2)[C@@H]1c1ccc(F)cc1 587345399 ZKNSRZWMALYHJR-YTJPUZGESA-N 407.445 4.111 0 1 HIAF COC(=O)[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587348951 HXONKZPWOWARTL-OPJGWUQDSA-N 418.420 4.446 0 1 HIAF CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442586 QZZOIHHCUGHVOD-KHTISZTLSA-N 406.478 4.328 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C(=O)O)=COc2ccc(Cl)cc21 587460089 FWYSRSPIEIWRCW-OAQYLSRUSA-N 400.814 4.220 0 1 HIAF CNC(=O)Oc1cccc2c1OC(C)(C)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587513418 SJOCVZPJCHCQLI-DEOSSOPVSA-N 407.466 4.315 0 1 HIAF COC(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550281 WJPPCGOUMULXHC-REWPJTCUSA-N 424.836 4.466 0 1 HIAF COc1cc2c(cc1OC)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598880 CBOADOOIERULHD-XUZZJYLKSA-N 404.418 4.213 0 1 HIAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)nn1C 587721895 RHPGMJHRDWISBP-WJWGPLDTSA-N 406.221 4.273 0 1 HIAF C[C@H](Oc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)O 587796775 VGAFZFWXAFUSCX-XAAFQQQXSA-N 422.294 4.238 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(C(=O)O)ccc23)N1 587803979 QJVWPXOLVQWUDI-DYBLOJMWSA-N 403.251 4.391 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 587871592 AAJUWXHJPXWERB-MRXNPFEDSA-N 417.481 4.375 0 1 HIAF O=C(O)c1cc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)c(Br)cn1 587939736 KWUHWJAXAJRUNO-UHFFFAOYSA-N 409.623 4.065 0 1 HIAF O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccn1)c1ccccc1 653882121 GFCMPNXFMMIOOU-UHFFFAOYSA-N 401.491 4.009 0 1 HIAF CCOC(=O)CCC[C@]1(c2ccccc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962731951 VCDQYOHYRCIZEM-SIKLNZKXSA-N 419.443 4.309 0 1 HIAF COc1cccc([C@@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1N 962958800 PGUYISKTXRBIHC-HXUWFJFHSA-N 406.448 4.211 0 1 HIAF CCC[C@]1(c2cc3ccc(O)cc3oc2=O)NCCc2cc3cccc(OC)c3nc21 963034194 LXKIYZISXZIEGG-RUZDIDTESA-N 416.477 4.245 0 1 HIAF C[C@@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963226198 KQQBQKBOGCAPFZ-FPHBUGIRSA-N 415.537 4.275 0 1 HIAF Cc1ncc(-c2ccn3ncc(-c4ccc5c(c4)[C@](C)(CC4CC4)C(=O)N5)c3n2)cn1 1857551199 BWZJQTMIXIJENC-DEOSSOPVSA-N 410.481 4.172 0 1 HIAF O=C(Nc1ccc2[nH][nH]c(=Nc3cccc4ccccc34)c2c1)[C@H]1CCC[C@@H](O)C1 1857745890 DYLAMJXLLKYZNV-FUHWJXTLSA-N 400.482 4.371 0 1 HIAF Cc1cccc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 1857755268 XOEJGAGLGMRRHY-UHFFFAOYSA-N 410.491 4.408 0 1 HIAF COc1nc2ccccc2cc1-c1cnc([C@@H](N)CCCCCC(=O)c2ncc[nH]2)[nH]1 1911576399 QWCIDQYVYURRSR-KRWDZBQOSA-N 418.501 4.190 0 1 HIAF COC(=O)C=C(CC[C@@H]1[C@H](C(=O)OC)C=C[C@H]2C(C)(C)CCC[C@@]21C)COC(C)=O 2356494095 RMNXDJMOHAWPAV-MTXNFPGFSA-N 420.546 4.237 0 1 HIAF COC(=O)[C@@H]1[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccccc2)[C@@H]1C 13816389 ZPWSMNJWLWWFPP-BVGQSLNGSA-N 406.404 4.150 0 3 HIAF Cc1ccc([C@H]2C(C(=O)O)=C[C@@H](C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 34131488 YKYCTCBRSJICEX-SFTDATJTSA-N 413.539 4.475 0 3 HIAF O=C1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 13743415 QTIYMYWNEFFXIL-UHFFFAOYSA-N 405.517 4.364 0 1 HIAF O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc([C@@H](O)C(F)(F)F)cc1 14976837 YKHCWWRCGHFHFR-CQSZACIVSA-N 413.339 4.040 0 1 HIAF CN(CCOc1ccc(-c2ccc3c(c2)OCO3)cc1-c1cccs1)CC(=O)O 28958394 WPFANTQSQQKQPP-UHFFFAOYSA-N 411.479 4.206 0 1 HIAF CN(C(=O)Cc1cs/c(=N\c2ccc(Br)cc2)n1C)c1ccccc1 29124754 NMBUMHBQUUNFBX-VZCXRCSSSA-N 416.344 4.287 0 1 HIAF Cc1cc(OC[C@H]2CCCN(c3ncc(C(=O)NC4CC4)cc3Cl)C2)ccc1F 45202203 TXOPYJDBARLWHL-HNNXBMFYSA-N 417.912 4.370 0 1 HIAF C=C(NNc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc2c(c1)OCCO2 64586038 WHOLBHXXMRWJEM-UHFFFAOYSA-N 416.648 4.099 0 1 HIAF O=C(C[C@@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc2c(c1)[nH]c1ccccc12 95579326 OBMGEBSSWPCBJP-SFHVURJKSA-N 401.418 4.463 0 1 HIAF Nc1scc(CN2CCN3c4ccccc4C[C@H]3C2)c1C(=O)c1ccc(Cl)cc1 96914662 MRQZDERCAANJEF-IBGZPJMESA-N 423.969 4.462 0 1 HIAF O=C(Nc1ccc(Cl)cc1)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 103303126 CAFUHAVOTBMKAN-UHFFFAOYSA-N 415.787 4.298 0 1 HIAF O=C(O)CCn1cc(-c2cc(Cl)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144875794 WHSDYLUXQCKJHW-LJQANCHMSA-N 422.790 4.457 0 1 HIAF Cc1nn(Cc2ccc(NC(=O)C3C4CC5CC(C4)CC3C5)cc2)c(C)c1CC(=O)O 168878842 JRMXUARTETXTMA-UHFFFAOYSA-N 421.541 4.186 0 1 HIAF S=C1N[C@H]2/C(=C/c3ccccc3Cl)CNC[C@H]2[C@H](c2ccccc2Cl)N1 169308422 ULTQRBSNPGXDHC-CULFBHPNSA-N 404.366 4.184 0 1 HIAF CC[C@@H]1C(=O)c2c(cc(OCc3nnn[nH]3)c(Cl)c2Cl)[C@H]1c1ccccc1 169345784 LBSXDTWIFKMNQR-NHYWBVRUSA-N 403.269 4.440 0 1 HIAF NCC[C@@H](NCCC=C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 169348753 XIILOJJCXUOYNX-AREMUKBSSA-N 413.565 4.132 0 1 HIAF CCCCN1CCN([C@@H](CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1 198331900 FMQYLMODRVYWBF-SANMLTNESA-N 412.666 4.096 0 1 HIAF Nc1ncnc(N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c1Br 219316437 CBLGCUTYOUXBOB-UHFFFAOYSA-N 415.257 4.299 0 1 HIAF COc1ccc(Cl)c(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)c1 299871757 ZEEUDOKATBQEKL-UHFFFAOYSA-N 408.639 4.413 0 1 HIAF O=Cc1cc(Br)cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 586982791 QBKVEZLQZUSYIB-UHFFFAOYSA-N 424.048 4.266 0 1 HIAF CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1 587105650 CPUISYUZRGJPGY-XQAUZQBESA-N 412.489 4.017 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3cncc(C(F)(F)F)c3)nc2c1 587115024 DUMOISNWPQNVDB-UHFFFAOYSA-N 400.154 4.193 0 1 HIAF FC(F)(F)c1ncc2nc(/C=C/c3cccc(I)c3)nc-2[nH]1 587183843 JNKITMKXXLGAKZ-SNAWJCMRSA-N 416.144 4.098 0 1 HIAF C[C@@]1(c2ccccc2-n2ccnn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344599 XFFQRXBLJMZINF-VWNXMTODSA-N 415.424 4.386 0 1 HIAF C[C@@]1(c2ccc3c(c2)NC(=O)CO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349948 QVXIMVMWFBQLJE-UPVQGACJSA-N 419.408 4.137 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccccc1Br)O2 587378023 RIJTYZZLHLCPJA-LJQANCHMSA-N 403.276 4.092 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1nc(N(C)C)n(-c4ccc(C)cc4)c1Cl)[C@@H](C2)C3=O 587419915 GABXZAXXTGGLLP-KKSFZXQISA-N 423.900 4.397 0 1 HIAF COc1cc2c3c(c1)O[C@H](CCc1ccccc1CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587431285 FHGXHFYPBUJZEZ-WOJBJXKFSA-N 423.509 4.469 0 1 HIAF CC(=O)N(C)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587568284 BIJVQKJKFVPABE-QPPBQGQZSA-N 403.434 4.252 0 1 HIAF C[C@]1(c2cc(N3CCCC3)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594648 NGXXHHWVYIKVEF-WIOPSUGQSA-N 416.477 4.452 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccn2)N1 587677212 HGIXAUFIOQPXHA-GLEZIHRCSA-N 400.089 4.369 0 1 HIAF Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nn2)cc1 587761489 UUGOJFFJYYSPSN-XCLFUZPHSA-N 415.310 4.160 0 1 HIAF Cc1cc(C)cc(-n2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c1 587764827 RKIKKJWUEVNWKN-RBZFPXEDSA-N 415.310 4.409 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)OCc2ccccc2)N1 587801193 JNPGRHBLXIQKJX-RBZFPXEDSA-N 406.295 4.471 0 1 HIAF COC(=O)c1ccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587804545 RNCMBBYVSQORNE-APBUJDDRSA-N 417.278 4.480 0 1 HIAF COC(=O)CC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806482 JJQFIZRFBPZBEI-RBZFPXEDSA-N 406.295 4.319 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)s2)([C@@H](C)O)N1 587847312 KGMHRIZGWOEDKE-LGZSNQIQSA-N 404.732 4.462 0 1 HIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cnn(C(C)C)c(=O)c1Cl 587861284 QOHBGBRTVFZBQU-UHFFFAOYSA-N 412.799 4.358 0 1 HIAF Nc1nccn2c(-c3cccc(NC(=O)c4ccc(F)c(C(F)(F)F)c4)c3)cnc12 653784966 ISSCBGYJAGDSPG-UHFFFAOYSA-N 415.350 4.389 0 1 HIAF COc1ccc2c(c1)[C@]1(CCCC[C@H]1[C@]1(O)C(=O)Nc3ccccc31)N(C(C)C)CC2 962090568 LSSGDDPUDVKBNR-AFESJLNVSA-N 420.553 4.187 0 1 HIAF CCOC(=O)c1c(NC(C)=O)sc2c1CCC[C@]21NCCc2cc(C)c(F)cc21 962293842 AHJAMKWNFIFAJE-JOCHJYFZSA-N 416.518 4.056 0 1 HIAF C[C@]1(c2ccc(F)cc2OC(F)F)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962761934 IHHBMRPGECOBJM-KDOFPFPSSA-N 403.322 4.336 0 1 HIAF CCOc1ccc(C(=O)[C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OCC 962767737 QNDMEVRFBUIVGD-APWZRJJASA-N 421.415 4.054 0 1 HIAF Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccco2)cc1Cl 1772614566 QREJBKFFAKVFKC-UHFFFAOYSA-N 400.287 4.405 0 1 HIAF COc1nc(C(=O)[C@@H]2C[C@@H]2C(=O)O)ncc1N(CC1CC1)c1cccc2ccccc12 1772616348 QYPOYXFLLPVCEL-MSOLQXFVSA-N 417.465 4.090 0 1 HIAF CC(C=C1C(=O)N(C)[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)=C(Cl)Cl 2356596329 GSTRDEBFQFLBIV-WCBMZHEXSA-N 422.567 4.275 0 1 HIAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OC2CCNCC2)ccc1Cl 28825937 OEBYBEDUCVHKBU-UHFFFAOYSA-N 402.966 4.417 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@H](C)N2C[C@@H](c3ccccc3)C[C@@H]2C1 29415316 PKZKDNACFVSZIJ-LEUOFYLZSA-N 413.949 4.070 0 1 HIAF COCC(=O)N(c1ccccc1Cl)[C@H]1CCN(CCc2ccccc2)C[C@H]1C 36215847 IDBGRMWFLVNQQD-NQIIRXRSSA-N 400.950 4.273 0 1 HIAF CC(=O)c1ccc(OCc2ccc(Oc3cccc(-c4nnn[nH]4)c3)cc2)c(C)c1O 38253587 QIADWIHDXWIEST-UHFFFAOYSA-N 416.437 4.455 0 1 HIAF COC(=O)CCNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 38841185 CJQUPGBTPTYESJ-AWEZNQCLSA-N 415.317 4.046 0 1 HIAF COc1cccc(C(=O)[C@@H]2C[C@H]2CN2CC=C(c3c[nH]c4ccc(OC)nc34)CC2)c1 45323292 GSNLSTHOWFWZIF-AZUAARDMSA-N 417.509 4.188 0 1 HIAF CC(C)[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 71329744 AHUKDBFUVJNLJK-GVXSCFBNSA-N 401.510 4.439 0 1 HIAF COC[C@H](Nc1ccc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1)c1ccccc1 72173081 GSWDHTCUBCDGFJ-NRFANRHFSA-N 415.497 4.446 0 1 HIAF O=C(CCCOc1cc(=O)oc2ccccc12)N1CCC(Cc2ccccc2)CC1 96271530 WWCCTNJSLRMIRU-UHFFFAOYSA-N 405.494 4.433 0 1 HIAF Cn1nnnc1Sc1cc(NC(=O)c2ccc(Cl)cc2)c2ccccc2c1O 96922659 FXLJIBNPVLSVCE-UHFFFAOYSA-N 411.874 4.126 0 1 HIAF O=S(=O)(c1ccccc1)N1CCC2(CC1)O[C@@H](c1ccccc1)c1ccccc12 142032746 BHAJHNUHYDNWSX-QHCPKHFHSA-N 405.519 4.486 0 1 HIAF C[C@@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(=O)O 145463154 SIFKFUBAGMELIQ-DYVFJYSZSA-N 424.478 4.205 0 1 HIAF CC(C)(C)N1C[C@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OC1=O 209404101 JASFTBXZDINFFH-QFIPXVFZSA-N 407.558 4.013 0 1 HIAF CCCS(=O)(=O)N1CCC(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CC1 586953368 SYMYJEPEIBMWDE-UHFFFAOYSA-N 413.543 4.061 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Cl)c(Cl)nc4[nH]3)cc12 587037164 FGJVOPXDVVCTCS-SSDOTTSWSA-N 409.302 4.012 0 1 HIAF N[C@@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1cccc2ccccc12 587259166 YDTHGWJOXFLSNP-IBGZPJMESA-N 410.481 4.018 0 1 HIAF CCn1nccc1[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338352 CGCRAHJDICLQRT-UKSQEYPKSA-N 421.472 4.077 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Cl)c1S(=O)(=O)CC)CC2=O 587485074 JCJYDDZSCBLVNT-GOSISDBHSA-N 408.903 4.498 0 1 HIAF CCOC(=O)C(=O)C[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587503999 LNJXETMDRKPMLY-DEOSSOPVSA-N 410.441 4.088 0 1 HIAF CN(C)CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587568671 CQTUTTFCSZVILB-RCZVLFRGSA-N 419.477 4.426 0 1 HIAF Cc1noc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 587588878 UQOKYCTYHZODFL-UGKGYDQZSA-N 400.390 4.454 0 1 HIAF COc1ccc(OC)c2c1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602744 YOTNGQVADYBBOF-URXFXBBRSA-N 404.418 4.213 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)Nc3ccc(F)cc32)N1 587728368 FHSLLKYAAQGNEC-DGIBIBHMSA-N 407.258 4.237 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(F)cc(Cl)c12 587728687 FVMWCMIMFIRILQ-IWEMQMMOSA-N 413.649 4.111 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC(=O)N(C)C)N1 587739975 IZGWPJMYLNKXMF-VOJFVSQTSA-N 407.283 4.272 0 1 HIAF COCCc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587853353 QFKZXECZZRWQOK-YPMLDQLKSA-N 413.356 4.340 0 1 HIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)cc(C(F)(F)F)n1 587867640 BPARPYOYUAYJGR-UHFFFAOYSA-N 403.286 4.079 0 1 HIAF CC(C)(C)OC(=O)NC[C@H]1Cc2c3cccc2[C@]2(C=COC(C(F)(F)F)=C2)N1C3 962645923 YVHGQWRNDPSZJZ-JLTOFOAXSA-N 408.420 4.137 0 1 HIAF Cc1c(O)ccc2c1[C@](C(=O)c1ccccc1)(c1ccc(Cl)cc1)N[C@H](C(=O)O)C2 963488861 GIUANFZNEIKSRB-CYFREDJKSA-N 421.880 4.079 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCNc2c(F)cc(Br)cc21 963638531 UDRRHUVEPDWQQH-YBTHPKLGSA-N 421.310 4.199 0 1 HIAF CC1(C)CN(c2ccc(C(F)(F)F)cc2)CC[C@@H]1C(=O)N[C@H]1CCC[C@H](CO)C1 1772583025 APFUSSJGZAJSNI-VDZJLULYSA-N 412.496 4.225 0 1 HIAF O=C(N[C@H]1CCC[C@H]1O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772602994 ILLPJLYQSWJJTC-FUHWJXTLSA-N 417.387 4.084 0 1 HIAF COc1ccc([C@@H]2C[C@H](OC(=O)C=Cc3ccc(O)cc3)C[C@@H]3CCCCN32)cc1O 2356638845 SYMZKAVNWGDBHC-NNWRFLSQSA-N 423.509 4.421 0 1 HIAF Cc1sc2nc(CN(CCc3ccccc3)C(=O)c3ccco3)[nH]c(=O)c2c1C 8772714 RKJBQNYFTBIWNI-UHFFFAOYSA-N 407.495 4.080 0 3 HIAF aggregator COc1ccc(NC(=O)[C@]2(C)CCN2C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 61929842 UYKJYEKLKOPKFP-DEOSSOPVSA-N 410.514 4.245 0 3 HIAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(OCC)cc1 4152677 MHPCHNJJIKSGSP-GGAORHGYSA-N 410.514 4.492 0 1 HIAF Cc1ccc(-n2nc(C(=O)N3CCCC[C@H]3C)c3c4ccccc4n(C)c3c2=O)cc1 4920355 MIDKAESCZVNCPV-QGZVFWFLSA-N 414.509 4.200 0 1 HIAF COc1ccc([C@H]2CC(=O)N(CCN(C)C)c3cccc(C(F)(F)F)c3C2)cc1 13450903 PCWTXOQMEZBHOB-MRXNPFEDSA-N 406.448 4.339 0 1 HIAF CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncccc1[C@H](C)O 13832851 ABUNYPRNLSTCMK-KRWDZBQOSA-N 414.513 4.399 0 1 HIAF COc1ccc2nc(N3CCC[C@H](N)C3)n(Cc3ccccc3C(F)(F)F)c2c1F 14953936 CZSRBTBSPLWAAW-AWEZNQCLSA-N 422.426 4.179 0 1 HIAF Cc1n(CCCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1Cc1ccccc1 26822037 KFZQMMUSOMJBQB-UHFFFAOYSA-O 424.568 4.384 0 1 HIAF COc1ccc(-c2cnc(N3C[C@@H](N)[C@@H](c4ccc(Cl)cc4Cl)C3)nc2)cc1 28899521 MGPCIBLVBGADEC-UYAOXDASSA-N 415.324 4.390 0 1 HIAF OC[C@@H]1CCCN1CCc1ccc(C2=CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1 29127993 CNPAPCMIYUFOOZ-OBDYRVMHSA-N 402.582 4.221 0 1 HIAF CCOC(=O)CCc1ccc2c(c1)C[C@@H](NC[C@@H](O)c1cccc(Cl)c1)CC2 29564125 UGZLTFCKIQRBBC-FCHUYYIVSA-N 401.934 4.016 0 1 HIAF C[C@](N)(CO)C(=O)Nc1ccc(OCCc2ccc(-c3ccc(Cl)cc3)cc2)cc1 40914641 PNZWVSLUPJUUKD-DEOSSOPVSA-N 424.928 4.277 0 1 HIAF COc1cccc2nc(C)n(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c(=O)c12 42887345 MQCHIKVWSTVDAI-UHFFFAOYSA-N 419.525 4.098 0 1 HIAF CCc1cccc(CC)c1NC(=O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 66123758 YOFKVJGPRBAURH-PDGQHHTCSA-N 410.495 4.153 0 1 HIAF CCOc1ccc2c(=O)cc(CC)oc2c1COC[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 72116647 YJGZYZNCWNPGDN-BJKOFHAPSA-N 414.498 4.393 0 1 HIAF COC(=O)C1=C(c2cnc(-c3cccc(Br)c3)s2)C[C@@H]2CC[C@H]1O2 84604078 JZUOHICLNJQBTJ-GXTWGEPZSA-N 406.301 4.451 0 1 HIAF C/C(=C\CC/C(C)=C/CC/C(C)=C/CC/C(=C/C[C@H]1OC(=O)C=C1CO)CO)CO 96085819 QYNVMFGBDSWBRM-YLASZLQJSA-N 418.574 4.311 0 1 HIAF C[C@]1(c2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)ccc2F)CCSC(N)=N1 96174353 GARAICGSKAAZGK-HXUWFJFHSA-N 400.454 4.365 0 1 HIAF CCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@@H]4CC[C@H]3N4)ccc21 96175261 VBKANYWYTNJEAU-OXJNMPFZSA-N 419.550 4.335 0 1 HIAF O=C(O)c1ccc(CN2C(=O)S/C(=C\c3ccc(Br)cc3)C2=O)cc1 103212728 CYWIZCKHIDJZAA-DHDCSXOGSA-N 418.268 4.384 0 1 HIAF O=C(O)C[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccc(C(F)(F)F)cc3)cc21 114895501 JMWNUNJZMFRTNQ-SFHVURJKSA-N 404.388 4.427 0 1 HIAF O=C(N[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1)c1ccccc1Br 169322522 IYAVAIHWKWEEKA-XOBRGWDASA-N 424.342 4.422 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@@H]3c3ccc(C)o3)sc2c1 169690104 DBQKPIMGHJRMHE-ROUUACIJSA-N 420.446 4.255 0 1 HIAF CC1CCN(c2c(S(=O)(=O)c3ccc(C#N)cc3)cnc3ccc(F)cc23)CC1 201536812 XUISTWFVILYIHJ-UHFFFAOYSA-N 409.486 4.315 0 1 HIAF COCc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 261128038 KPCBAEXWWIODOK-UHFFFAOYSA-N 410.481 4.309 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(C34CCC(CO)(CC3)CC4)nc2c1 586895563 MXKYXGJMDLDNDF-UHFFFAOYSA-N 407.308 4.086 0 1 HIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)cc(F)c3[nH]2)C(F)(F)C1 587132201 MRWGTHHPVGCJAH-SECBINFHSA-N 420.229 4.434 0 1 HIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Cl)nc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238142 BATJRPWJXIWCQO-CJAGKMTESA-N 406.914 4.166 0 1 HIAF O=C(O)c1cccc2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350954 ITXCWMSVJOFPRG-QPPBQGQZSA-N 404.393 4.430 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cncc1Br)O2 587370277 DKCBWZWRSISEPF-CYBMUJFWSA-N 412.081 4.204 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc31)O2 587409666 SFNLQIQHWKVFML-UPVQGACJSA-N 403.434 4.373 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC(=O)Oc3cc(Br)ccc31)CC2=O 587458081 POAANXDCDALMNQ-FQEVSTJZSA-N 417.255 4.277 0 1 HIAF COC(=O)[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587503516 ORCDRQDXNNFEGC-NRFANRHFSA-N 415.283 4.362 0 1 HIAF C[C@@]1(c2ccc(O)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588300 SHASSYDXIZUDBK-YKSBVNFPSA-N 415.401 4.229 0 1 HIAF COc1ccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O 587592263 JPZDJVVWTYXRIP-XUZZJYLKSA-N 406.434 4.460 0 1 HIAF CCOC(=O)CC[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587768391 CRDSVKRELFRQCY-ZUOKHONESA-N 421.310 4.104 0 1 HIAF COC(=O)c1ccc(OC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587811345 ZDZCJFJLBMIBGY-XTZNXHDOSA-N 408.267 4.007 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc3c(c2)CCCC3)N1 587832675 ZUETZOTUNMBWPL-QKVFXAPYSA-N 418.306 4.329 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)cs2)N1 587853051 OQLMCZGMBLDFLE-PWCHPLFNSA-N 406.118 4.431 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cnn(CC)c(=O)c1Cl 587855114 IWFWFWLPIGEGSG-UHFFFAOYSA-N 413.692 4.475 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c1 587930891 HQGMXDXDFKMAJE-HTAPYJJXSA-N 413.543 4.047 0 1 HIAF COc1ccc2c(c1)[C@H](c1sc(N3CCC(=O)CC3)nc1Cl)N(C(C)C)CC2 962090078 IMIUUBCTVLVQBL-GOSISDBHSA-N 419.978 4.330 0 1 HIAF C[C@]1(c2ccc(F)cc2S(C)(=O)=O)c2ccsc2CCN1Cc1ccco1 962712633 VLJCMEJGMLURGZ-HXUWFJFHSA-N 405.516 4.206 0 1 HIAF CSc1ncc([C@@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(C)n1 962950164 CFOWNVZKCCXYJS-LJQANCHMSA-N 423.504 4.441 0 1 HIAF COc1cc2c(cc1OC)[C@](CCC(C)=O)(C(C)C)N(C(=O)c1ccccc1N)CC2 963141122 OSKSAFJVTMQBOG-VWLOTQADSA-N 424.541 4.205 0 1 HIAF CCCOc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1OCCC 963468905 IZVACBQZVBUDSZ-MHECFPHRSA-N 413.514 4.141 0 1 HIAF O=c1c2c(oc3cc(C(F)(F)F)ccc13)N1C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]1CC2 1857605946 ZCVJZDCCVNSTGU-FSPMTTQMSA-N 418.459 4.437 0 1 HIAF O=C(O)C[C@@H](c1ccccc1)c1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 2356581753 JTBOHUIWOZNDGR-INIZCTEOSA-N 418.401 4.183 0 1 HIAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)Nc1cccc(O)c1 2356870162 XOAGZOZYQXXAAQ-IAGOWNOFSA-N 411.502 4.310 0 1 HIAF O=C(CC[C@H]1CCCN(Cc2cccc3c2OCO3)C1)NCc1ccc(F)c(F)c1 13596352 RVLZLEROBRPVDG-MRXNPFEDSA-N 416.468 4.002 0 3 HIAF O[C@H](COc1ccccc1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 23408299 BGJBRLUWTHXPQH-VWLOTQADSA-N 417.549 4.074 0 3 HIAF CCCCc1nc(CCCC)n(Cc2ccc(-c3ccncc3-c3nnn[nH]3)cc2)n1 13560874 WYLPQXJUVNJGAJ-UHFFFAOYSA-N 416.533 4.254 0 1 HIAF CCN(Cc1ccccc1)C(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C(=O)O)cc1 27201763 XFSODOROYUAZFF-QFIPXVFZSA-N 424.497 4.380 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCC2CCCCC2)[C@@H]1Oc1ccc(C(=O)O)cc1 27204530 BNPBKHLQTOQNLR-HXUWFJFHSA-N 402.491 4.028 0 1 HIAF CC1=C[C@@]23C(=O)OC(C)(C)[C@@H]1C[C@@]2(O)CC1=C2C(=O)O[C@@H](c4ccoc4)[C@]2(C)CC[C@H]13 34046778 JJXOUNRHCCYHOY-NDURPYHNSA-N 424.493 4.013 0 1 HIAF COc1ccc(-c2c(C)nn3c(N[C@@H](C)Cc4noc(C)n4)cc(C)nc23)c(C)c1 34629870 MSOMZUDREVYDGN-ZDUSSCGKSA-N 406.490 4.065 0 1 HIAF Cc1ccc(-c2nc(CCOc3ccc(C[C@@]4(C(=O)O)CCCO4)cn3)c(C)o2)cc1 34717783 FMKXCULQTCLWSI-XMMPIXPASA-N 422.481 4.151 0 1 HIAF CC(=O)O[C@@H](COc1ccccc1C(=O)CCc1ccccc1)CN1CCCCC1 40585081 KYLIMYBWENAMDS-JOCHJYFZSA-N 409.526 4.299 0 1 HIAF CC(C)=CCc1cc(-c2coc3cc4c(c(O)c3c2=O)C[C@@H](O)C(C)(C)O4)ccc1O 59728682 CDLIAMHAUSAXIS-OAQYLSRUSA-N 422.477 4.454 0 1 HIAF biogenic CCCCN1C[C@@H](CSC)[C@H](CC(=O)Nc2ccc(Br)cc2)C1=O 72136653 XRQZFAYRQQGPFB-BBRMVZONSA-N 413.381 4.015 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](c3ccc(O)cc3)CS2)cc1 96273664 FXCUYPUWZLTQGM-OAQYLSRUSA-N 418.522 4.160 0 1 HIAF CN(C1=NC[C@]2(S1)c1ccccc1N(C(=O)OC(C)(C)C)[C@@H]2O)c1ccccc1 96938429 VOBOGJIMLMFNJL-GCJKJVERSA-N 411.527 4.195 0 1 HIAF CCOC(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 140115765 QLCMXGVTKNOWDX-UHFFFAOYSA-N 410.477 4.472 0 1 HIAF CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@H]3CCCC[C@@H]3O)CN(C)[C@@H]1C2 169351144 GSCVQDHIWDOSEW-HTKBXHQZSA-N 410.558 4.029 0 1 HIAF C[C@@H]1CCC[C@@H](C)C1COc1cc(F)c(C(=O)NS(=O)(=O)C2CC2)cc1Cl 207165163 QKIAAUILZUAVKM-VXGBXAGGSA-N 417.930 4.152 0 1 HIAF COC1=C(OC)[C@H](O)[C@H](C/C=C(\C)CC/C=C(\C)C/C=C/C(C)(C)O)[C@@H](C)C1=O 219112936 LUSZELLFBWUVBI-IWBJKXSYSA-N 406.563 4.467 0 1 HIAF CCCCNc1ncc(NC(=O)c2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 261115161 IQJYTBNFPSQTDY-RZDIXWSQSA-N 414.529 4.009 0 1 HIAF O=C(c1ccc(Cl)cc1)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 473082920 AJHFOGJCDKOZKC-UHFFFAOYSA-N 405.889 4.235 0 1 HIAF in-vitro COc1cc2nc(-c3ccccc3)[nH]c(=NCCCCCN3CCCC3)c2cc1OC 473115900 VLGFDLLQSSWMFB-UHFFFAOYSA-N 420.557 4.414 0 1 HIAF COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC=C(C)C5=C[C@@H]43)CC2)c1 504366959 DUJXNMSRDCOORC-APAYAGTCSA-N 422.569 4.052 0 1 HIAF biogenic CNS(=O)(=O)c1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587103618 YWLUMMQZDPQHPC-UHFFFAOYSA-N 414.486 4.330 0 1 HIAF NC(=O)c1cccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587111614 PMERAFUMMITPHI-UHFFFAOYSA-N 401.310 4.485 0 1 HIAF Nc1c(F)c(F)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1F 587137235 VMFULIQFMIMVGX-UHFFFAOYSA-N 422.002 4.149 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cccc(N)c4C(=O)O)[nH]c3c2)cc1 587249763 JDMXQWVEMBHOPQ-UHFFFAOYSA-N 403.394 4.089 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](CC=C(C)C)C(=O)c4ccccc41)[C@@H](C2)C3=O 587447022 KBILENMZHIDABM-FXJWSJNKSA-N 402.446 4.076 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(N)c(Br)c31)CC2=O 587458837 LRGQCXUJIAKQBY-HXUWFJFHSA-N 402.288 4.496 0 1 HIAF Cn1c(O)cc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587575241 DZAMJCZMYYWQJC-XUZZJYLKSA-N 401.418 4.467 0 1 HIAF CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587579194 CIOQXUHQEOIWHM-PXNSSMCTSA-N 408.410 4.075 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)c(Br)c2)N1 587676509 FBGVVHAEIUQRPE-NXSYQRQQSA-N 416.088 4.075 0 1 HIAF CCn1ncc(Br)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587676871 GLPAANAQEFSSSD-CLAHSXSESA-N 417.120 4.191 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)ccc(F)c2C(=O)O)N1 587723362 XHQNEICKTWHFCD-DCXZOGHSSA-N 414.221 4.362 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccccc3c2=O)N1 587776826 DWMHIOXKJYCCFV-BIBXISHDSA-N 401.279 4.227 0 1 HIAF C[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2N1 587874079 PKYFXPJQQLXVHD-RTHLEPHNSA-N 407.327 3.987 0 1 HIAF CN(C)S(=O)(=O)c1cccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587954823 AXOXQVOPMNVNAC-LJQANCHMSA-N 405.523 4.188 0 1 HIAF CCOC(=O)C1(NC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 618010131 QAIBVFDORZIDFY-UHFFFAOYSA-N 403.526 4.489 0 1 HIAF CC1(C)OCc2c(Nc3n[nH]c4c(C(F)(F)F)cccc34)nc(-c3cn[nH]c3)nc21 653708702 WRTRKQNELWWYGA-UHFFFAOYSA-N 415.379 4.271 0 1 HIAF CC(=O)N(c1ccc(F)cc1)c1nc([C@@H]2NCCc3c2c(C(C)C)nn3C)cs1 962921377 NLIMIBLOHQKOSF-FQEVSTJZSA-N 413.522 4.059 0 1 HIAF FC(F)(F)c1cccc2c1C1(CCN(Cc3ccco3)CC1)NCC21CCOCC1 962949908 DMRYKOOAMZHNMR-UHFFFAOYSA-N 420.475 4.441 0 1 HIAF O=C(O)[C@H]1CC[C@H]([C@@]2(c3cccc(Cl)c3)NCCc3nc4ccccn4c32)CC1 962979925 BAYBERVAYAVMJL-KXNSMUHISA-N 409.917 4.268 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CCC(O)(c2ccc(Cl)cc2)CC1 1772579331 MQVFMLRFITXVFG-YKSBVNFPSA-N 413.945 4.144 0 1 HIAF CC(C)Nc1nccc(-c2ccc3c(c2)C(=O)N([C@H](CO)c2cccc(Cl)c2)C3)n1 1857563383 BZEWIPPKSPNWQI-OAQYLSRUSA-N 422.916 4.307 0 1 HIAF COc1cc([C@@H]2Oc3c(OC)cc(C=O)cc3[C@H]2COC(=O)CC(C)C)ccc1O 1857585500 PHOKYTQYMWTTST-VGSWGCGISA-N 414.454 4.029 0 1 HIAF COc1ccc(OC)c(CCN=c2[nH]c3cnc(-c4cccc(Cl)c4)cc3n2C)c1 1857602425 MZRSMUQXKXUOCL-UHFFFAOYSA-N 422.916 4.382 0 1 HIAF COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 1857617415 UQUIESQULVDVOA-UHFFFAOYSA-N 419.521 4.228 0 1 HIAF Cc1ccccc1-n1ncc2c(SCC(=O)N3c4ccccc4C[C@@H]3C)ncnc21 1346292 RMEJZDXNPJNPSY-INIZCTEOSA-N 415.522 4.194 0 3 HIAF Cc1csc(N[C@H](C)c2nc3cc(C(F)(F)F)ccc3n2CCOCCO)n1 12489937 OBWDVKLRMKIKDZ-GFCCVEGCSA-N 414.453 4.002 0 3 HIAF CCc1nc2ccc(C(=O)NCc3ccc(OC)cc3)cn2c1N(C)CCC(C)C 61898797 MDNSLBNUDBOFQY-UHFFFAOYSA-N 408.546 4.318 0 3 HIAF CC(=O)Nc1ccc(CNc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2C)cc1 61904520 VXUMQYPDZUNWGI-UHFFFAOYSA-N 422.485 4.372 0 3 HIAF Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)cc2)c1 1650341 GGIAHEUYQBDTAI-UHFFFAOYSA-N 405.483 4.065 0 1 HIAF CN1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 12529886 ABMZEGWLFWAVTB-SFTDATJTSA-N 416.456 4.204 0 1 HIAF biogenic COC(=O)[C@@H](NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1ccccc1 13762420 KRJLKXJBFDJOJK-QHCPKHFHSA-N 412.445 4.252 0 1 HIAF CC(=O)Oc1ccccc1C(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26576234 ZBYFGMLAGLKASZ-QFIPXVFZSA-N 416.433 4.283 0 1 HIAF COc1ccccc1CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1 35817778 OOBAQMLMJUYICG-UHFFFAOYSA-N 415.295 4.204 0 1 HIAF CCCc1nc2c(=O)n(Cc3ccccc3)nc(C)c2c2cc(-c3ccccc3)nn12 36242942 UEMKDTSBXWIJFQ-UHFFFAOYSA-N 409.493 4.415 0 1 HIAF O=C(O)c1cn(Cc2ccc(-c3ccc(Cl)cc3)cc2)c2c(c1=O)[C@H](O)CCC2 49071443 OTVPDXFBIBWKAI-HXUWFJFHSA-N 409.869 4.285 0 1 HIAF COc1ccccc1N1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1 73142276 QTUGTOBZOQEFKJ-UHFFFAOYSA-N 401.510 4.182 0 1 HIAF CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2ccc(C)cc2c1=O 84687226 ONABNBQCVWQAHV-UHFFFAOYSA-N 409.419 4.487 0 1 HIAF CC1(C)CCN(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(C3CCCCC3)c21 95588138 HKFKIRVNMWCAKD-RWYNZKLVSA-N 411.590 4.451 0 1 HIAF CCc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)cc2)cc1 115651423 NKXFLDPRONKJFU-VWLOTQADSA-N 400.453 4.201 0 1 HIAF O=C(Nc1cc2cccnc2cc1O[C@H]1CC[C@H](O)CC1)c1csc2cncnc12 166799333 MURKOANUFGPGGP-GASCZTMLSA-N 420.494 4.174 0 1 HIAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@H](N=O)C2 169714303 ZTQFAOQTCFNCRU-KKLQWCBXSA-N 414.571 4.338 0 1 HIAF Cc1cc(NCCNc2ccnc3cc(Cl)ccc23)nc(NCCCCCO)n1 204916708 SYAODEUEQUZWEX-UHFFFAOYSA-N 414.941 4.085 0 1 HIAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)c3ccccc3)cc2F)cn1 224788694 TVRQMPVRBSNBRH-UHFFFAOYSA-N 405.454 4.365 0 1 HIAF CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2ccco2)C1 299882488 PVBZQROJRCDVBX-RAZUEPIFSA-N 416.562 4.107 0 1 HIAF CCOC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 473243896 FDUYAGKGAATWMU-KCLXPQBDSA-N 413.558 4.203 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc2c1 586903174 NWHOSHFGDJHIHS-XJKSGUPXSA-N 401.260 4.071 0 1 HIAF NS(=O)(=O)c1ccc(CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 586929732 HZCLZMLRAWDWPV-UHFFFAOYSA-N 409.536 4.147 0 1 HIAF CCCn1cnc2cc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)cc(Br)c21 587003365 IXBFVXQPCBROSP-KRWDZBQOSA-N 413.279 4.476 0 1 HIAF Nc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587340125 VCOYPQAFGHXAQF-VWNXMTODSA-N 421.424 4.233 0 1 HIAF Cc1ccc(C)c2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351928 VRWKTFIFIWNMCO-GBXCKJPGSA-N 403.409 4.355 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(c4ccc(C)cc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587453505 OYQONOXQYBVMAB-FYSMJZIKSA-N 402.402 4.212 0 1 HIAF COCCOc1cccc(F)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556447 JRRKIQOACVUYLB-QPPBQGQZSA-N 424.424 4.434 0 1 HIAF COc1cc(NC(C)=O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576439 HARLLPURGFNWBI-QPPBQGQZSA-N 419.433 4.236 0 1 HIAF C[C@@]1(c2ccc3nc(N)sc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616973 IFJQGHPYEYLJHR-AVRDEDQJSA-N 404.447 4.461 0 1 HIAF Cc1ccc(S(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)cc2)cc1 587653982 FZZNWWFYYLMNCD-UHFFFAOYSA-N 410.882 4.180 0 1 HIAF CCOC(=O)[C@H](C(F)(F)F)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587708300 AUSYTUJQMKDYBX-AFEMSUNCSA-N 412.221 4.079 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587759728 VFRRQCZZCLDJMF-YBTHPKLGSA-N 415.310 4.409 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(c3ccccc3)C(=O)C2)N1 587769764 QDHGHRORWQUQNY-RBZFPXEDSA-N 403.295 4.145 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3=O)cc2)N1 587770011 ZXGAUWORIVRWFI-MPBGBICISA-N 403.295 4.339 0 1 HIAF COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(O)c1OC 587805288 FKNAELBROAJTFW-OVWNDWIMSA-N 410.283 4.109 0 1 HIAF COC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587810701 VRDMQHYLNMAFLD-HUTJROTASA-N 418.306 4.416 0 1 HIAF CSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(SC)n1 587844767 MIRPUUAZEDNWBE-RMLUDKJBSA-N 414.369 4.446 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ncccn3)s2)N1 587853950 PBFTVORXYPNTKE-PSLIRLAXSA-N 405.296 4.125 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cccnc2)no1 587866179 XCPJOIMPFAKMGU-UHFFFAOYSA-N 401.348 4.402 0 1 HIAF O=C(NC[C@H](Cc1ccc(F)cc1)N1C[C@H]2CC[C@H]1C2)C1(c2ccc(F)cc2)CC1 1857645987 WNHGZOOXCDSJNW-TZYHBYERSA-N 410.508 4.208 0 1 HIAF CCOC(=O)[C@@H]1Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1ccc(Cl)cc1 1911576476 JKELFDAYHFKWSK-IFMALSPDSA-N 423.896 4.314 0 1 HIAF COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](OC)[C@@H](C)[C@H](C)C2 2356678964 ZSRXTAWAFTULPM-UYSIFFEZSA-N 418.486 4.315 0 1 HIAF COc1ccc(CNC(=O)Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)cc1 61906552 JZFJOQKOJYBFRI-KRWDZBQOSA-N 416.934 4.369 0 3 HIAF O=C1c2ccccc2C(=O)N1CCCN1[C@H]2CC[C@@H]1Cc1[nH]c3ccc(F)cc3c12 13861338 UWOJGRHXHUGQNA-VFNWGFHPSA-N 403.457 4.055 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CBr 16027892 IJWRHVPBIVEEQB-VQGUNAKRSA-N 409.364 4.213 0 1 HIAF biogenic CN1C(=O)[C@@H](N(C)C(=O)c2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 26379786 JHZGBJJYRSJSHT-JOCHJYFZSA-N 417.896 4.252 0 1 HIAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1c(C)cc(C(=O)O)cc1C 27868760 GUDXEFHGVHYFLV-QFIPXVFZSA-N 424.497 4.265 0 1 HIAF CCSc1nc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2n1C 28523886 IMUIOYIDCCEONQ-UHFFFAOYSA-N 411.575 4.469 0 1 HIAF COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@H]2OCCC[C@H]12 72136480 COSCUZRDNFVXDW-MKUCUKIISA-N 409.320 4.297 0 1 HIAF C[C@@H](CNc1ncnc2c1nc(C1CC1)n2CCN1CCCCC1)c1ccccc1 82188850 QJZRMTVKZOANRG-SFHVURJKSA-N 404.562 4.405 0 1 HIAF COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@@H](CO)N3)c1 95866486 IDYHYZBOSZEVMK-AGILITTLSA-N 406.526 4.228 0 1 HIAF O=C1CO[C@@H](COc2cccc3[nH]c4ccccc4c23)CN1CCOC1CCCCC1 96939973 WPXCQEUFXIGSID-LJQANCHMSA-N 422.525 4.277 0 1 HIAF O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(Br)s3)cc2)CC1 101501609 NKPTYQMBWUYYNN-PHIMTYICSA-N 424.320 4.301 0 1 HIAF Oc1c2nc3ccc(F)cc3c-2ncn1CCN1CCC(Cc2ccccc2)CC1 103591270 XDMAXIJLFWEQEQ-UHFFFAOYSA-N 404.489 4.336 0 1 HIAF NCc1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1 149955958 JOMLKFMEZNJGLY-UHFFFAOYSA-N 401.285 4.337 0 1 HIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(OCC(F)F)c1 167124534 KYSCRMHLIVJYBV-RHSMWYFYSA-N 405.441 4.457 0 1 HIAF CCOCc1ccc2c(c1)[C@]1(N=C(SCC)N(C)C1=O)C1(CCC(OC)CC1)C2 201230382 CXJLKFGSQVGDNZ-UWFXLKAESA-N 416.587 4.131 0 1 HIAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC[C@H]4c4cccnc4)[C@H]3[C@@H]3O[C@@]132 299877123 GTMDREKJKNESRU-FFYPVONISA-N 410.558 4.134 0 1 HIAF CCOC(=O)c1cc2c3ccccc3n(Cc3cc(OC)c(OC)c(OC)c3)c2cn1 473127355 BKUHCWHHPADIGP-UHFFFAOYSA-N 420.465 4.440 0 1 HIAF O=C1C[C@@H](N2CCN(c3ccccc3)CC2)CN1c1ccc(Oc2ccccc2)cc1 584629612 JNXDMSREKNNPJW-HSZRJFAPSA-N 413.521 4.406 0 1 HIAF O=[S@@](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(c1ccccc1)c1ccccc1 586961917 YZBOJJACZYFIAU-LJAQVGFWSA-N 402.479 4.183 0 1 HIAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(F)c2[nH]1 586984524 SBAPWFNNYJXPRN-LBPRGKRZSA-N 413.088 4.470 0 1 HIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)s1 587023382 ORZAXTDIUCQREQ-UHFFFAOYSA-N 420.804 4.447 0 1 HIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(CCO)cc3[nH]1)N2 587032880 VDGHNTITTNXABY-PFSWGADMSA-N 414.556 4.225 0 1 HIAF CC1=C(c2ccc3nc(-c4ccnc(SCC(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 587093938 VGHKZQIJZVLJNE-UHFFFAOYSA-N 419.432 4.035 0 1 HIAF Nc1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1C(=O)O 587248727 VDDMDWDDUSCZNP-UHFFFAOYSA-N 411.053 4.035 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCOc3cc4c(cc32)OCO4)[C@H]1c1ccc(F)cc1 587360083 UIIDHIXLRUSZPA-UPVQGACJSA-N 420.392 4.297 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(F)ccc(Br)c21 587470128 DORVONKPVWYEBV-LJQANCHMSA-N 420.234 4.059 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587549850 SBXYOAXABKGVGQ-PJUBBZNESA-N 418.392 4.091 0 1 HIAF Cc1cc(C)cc(-n2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c1 587582118 OIOGFIXXUOJJHK-QPPBQGQZSA-N 413.433 4.293 0 1 HIAF COc1cc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587589854 AWVYGGBSWNMKOW-URXFXBBRSA-N 406.434 4.460 0 1 HIAF CCOC(=O)[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594705 HPCLTCWOAAVJHY-BWKNWUBXSA-N 418.445 4.289 0 1 HIAF CCC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587600182 MOZXIJDYFBMDLI-ZJSXRUAMSA-N 420.417 4.419 0 1 HIAF CCOc1ccc(-c2nn(C(=O)C(F)(F)F)c(=O)c3ccccc23)cc1OCC 587668155 BWIWUHIMJSWRRG-UHFFFAOYSA-N 406.360 4.063 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ncc[nH]2)N1 587735533 QGNAEBHERRVANQ-WLRWDXFRSA-N 404.258 4.277 0 1 HIAF COc1cccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587744023 YPOFGQAQGONTDD-QPONMKGCSA-N 419.338 4.450 0 1 HIAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(C)=O 587806551 JZSQMCRTITZCLK-GIGQVBGESA-N 408.267 4.146 0 1 HIAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1C=O 587808221 PRNOAYHFAFXARM-APBUJDDRSA-N 408.267 4.042 0 1 HIAF CC(=O)n1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c2ccccc21 962699296 IKBYDBJKUBUICC-IEBWSBKVSA-N 420.362 4.148 0 1 HIAF NC(=O)N1CCc2sccc2[C@@H]1C[C@H]1CCCCN1C(=O)OCc1ccccc1 962713912 PWKBRUWGFDDIJH-MJGOQNOKSA-N 413.543 4.307 0 1 HIAF CC(=O)Oc1ccccc1[C@@]1(c2cccc(C)c2)NCCc2c1c(C(C)C)nn2C 962918382 IPKVRZVIBKHBTO-RUZDIDTESA-N 403.526 4.215 0 1 HIAF CCOC(=O)CCC[C@@]1(c2c(C)cc(C)cc2C)NCCc2nc3ccccn3c21 962991405 VNCCKBXOTASAPN-VWLOTQADSA-N 405.542 4.382 0 1 HIAF CCOC(=O)[C@]1(c2ccc(Cl)cc2C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963631493 DNCSBYBCFJINMQ-JLCFBVMHSA-N 403.906 4.007 0 1 HIAF O=C([C@@H]1CCCN(c2ccc3nc(Cc4cccc(Cl)c4)[nH]c3n2)C1)N1CCCC1 1772593463 MBLPHYFHJIDNQO-QGZVFWFLSA-N 423.948 4.041 0 1 HIAF COc1cc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC 1772638790 KGHHCZONGRVNSD-UHFFFAOYSA-N 404.422 4.168 0 1 HIAF CC1(C)CCC[C@]2(C)[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H]3CO[C@H](O)[C@@H]3[C@]12C 2356635849 MEIBKHXXKNZYPZ-ZVRAQLMHSA-N 400.515 4.135 0 1 HIAF COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@H]3CCCCN13)OC(=O)/C=C\c1ccc(O)c-2c1 5371568 CDTGNBVPXHNHGE-RDOPERODSA-N 421.493 4.401 0 1 HIAF Cc1c(CN(C)Cc2c(C(=O)N3CCCC3)nc3sccn23)[nH]c2ccccc12 11935346 HIXIRQNJGWBYLN-UHFFFAOYSA-N 407.543 4.054 0 1 HIAF C[C@](O)(COc1ccccc1)c1ccc2c(c1)CN(C/C=C/c1ccco1)CCO2 12127538 BLEFYBRNCYLFRR-KPPJJKTOSA-N 405.494 4.474 0 1 HIAF CC(C)=CCCN(C)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 13802509 FNCSEFKHEOBIBT-UHFFFAOYSA-N 420.605 4.434 0 1 HIAF O[C@H](CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1 22927420 QXSQEZQXOARTKZ-XMMPIXPASA-N 420.553 4.127 0 1 HIAF COc1ccccc1NC1CCN(CCCCNC(=O)/C=C/c2ccccc2)CC1 28869992 JAWKNWQXUPQJQD-BUHFOSPRSA-N 407.558 4.181 0 1 HIAF COc1cc(C(=O)c2c(-n3cccc3)oc3c(O)c(OC)ccc23)cc(OC)c1OC 35969482 PIFWAAWNDKULCB-UHFFFAOYSA-N 423.421 4.195 0 1 HIAF COC(=O)c1ccc(N(Cc2ccccc2)c2cc(C(=O)N3CCCC3)n(C)c2)cc1 40412585 HHUYAHYYUYTRFJ-UHFFFAOYSA-N 417.509 4.386 0 1 HIAF CC(C)N(CC[C@@](CCN1CCCCC1)(C(N)=O)c1cccc(Cl)c1)C(C)C 40465471 UZNPKUNGOXYDTE-HSZRJFAPSA-N 408.030 4.448 0 1 HIAF COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(C)c4)oc3C)cc2oc1=O 40915616 NATAHZDMVJBKML-UHFFFAOYSA-N 419.433 4.473 0 1 HIAF Fc1cccc(Cn2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1 45375188 WYQMXGDAJRQRIO-UHFFFAOYSA-N 403.461 4.199 0 1 HIAF O=C(O)c1ccc(OC2CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1 45390688 SJFWZPJFJSGSAB-UHFFFAOYSA-N 423.296 4.445 0 1 HIAF N[C@H](CNc1nnc(-c2ccc3cnccc3c2)o1)Cc1ccc(C(F)(F)F)cc1 49032804 OWLZQWZFSLKVIT-SFHVURJKSA-N 413.403 4.286 0 1 HIAF COc1cc(-c2ccc3nnc(-c4ccc(OCCCN(C)C)cc4)n3c2)ccc1O 82082875 YRAFNYFJPQNOLZ-UHFFFAOYSA-N 418.497 4.108 0 1 HIAF Cc1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2C[C@H]2CCCO2)o1 82185747 LKKUVVYDTASLQO-QGZVFWFLSA-N 407.449 4.325 0 1 HIAF O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccncc2)[C@@H]1C(=O)c1cc2ccccc2o1 169688275 RNYAJCUSBIPWGN-PKTZIBPZSA-N 424.456 4.022 0 1 HIAF COc1cc(C#N)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 219335957 WMYLESPXATZBNH-UHFFFAOYSA-N 410.481 4.459 0 1 HIAF Cc1ccc(C[C@H](O)c2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1 221601184 YPAACVDRGCUVKD-QHCPKHFHSA-N 401.441 4.119 0 1 HIAF NC1=N[C@](c2cc(-c3nc4ccc(Cl)cc4o3)ccc2F)(C(F)F)[C@@H]2C[C@@H]2O1 226075264 OYSKNFZAYPELTO-WQBCIRTESA-N 407.779 4.481 0 1 HIAF COc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c2cc1Cl 586954911 KFXVTEBHLSJFMG-UHFFFAOYSA-N 419.934 4.102 0 1 HIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)ncc(F)c3[nH]2)s1 587023341 NXFGHHKUEMFGBB-UHFFFAOYSA-N 414.260 4.330 0 1 HIAF CCS(=O)(=O)c1ccc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2c1 587044671 MQBYSLBERZGZTM-UHFFFAOYSA-N 415.298 4.348 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CCCS(=O)(=O)c3ccc(C)cc31)CC2=O 587492407 OXOWLFZCHHWIJO-QFIPXVFZSA-N 400.496 4.081 0 1 HIAF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582292 ZLVNPUJTRUCIKK-SXHVTTPXSA-N 411.454 4.170 0 1 HIAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]1Oc1ccccc1 587600087 KVEJVZSSTYPVGP-HWIPXOPOSA-N 418.445 4.349 0 1 HIAF CCOC(=O)[C@@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587728059 QVRWFHNZNIXDJI-WLRWDXFRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCN(C)C)N1 587742759 TWWRVQYJALDBSG-XCLFUZPHSA-N 407.327 4.152 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)OCc2ccccc2)N1 587754872 LJYZTIRTRCMYEY-WBMJQRKESA-N 407.283 4.090 0 1 HIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc(N2CCCCC2)n1 587764589 GFLMUIXQIUZWRV-HXPMCKFVSA-N 419.342 4.301 0 1 HIAF CCOC(=O)N1C=C([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 587768194 LGJDOCXEYLRIKT-CWTRNNRKSA-N 411.315 4.474 0 1 HIAF COC(=O)[C@H](C)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587811249 WCAYUDNNWBGTFV-UVARLRKDSA-N 406.295 4.175 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587847523 UJJWTOGFAWGYEA-LZVRBXCZSA-N 407.308 4.040 0 1 HIAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cccc(-c3cc[nH]n3)c2)C1 1772638663 YJKDJQRXFSYKSN-KRWDZBQOSA-N 408.889 4.221 0 1 HIAF CO[C@H]1C[C@@H]2CC[C@H](C1)N2c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12 1857753139 QLFREGOMFNYDON-ZSBIGDGJSA-N 423.826 4.008 0 1 HIAF Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)Cc1ccc(F)cc1)CC(=O)N2 2456272 XSTXAYQXYIJEKK-DEOSSOPVSA-N 406.432 4.386 0 1 HIAF O=C(NCCCN1CCCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4054959 PUCAKVJSRUEHHK-ICSRJNTNSA-N 417.962 4.095 0 1 HIAF CC(C)=CCN1CC[C@@]2(C)c3cc(O)c(I)cc3C[C@@H]1[C@@H]2C 13742465 BWXORCIRGKQZPT-BOFPYLFWSA-N 411.327 4.487 0 1 HIAF Cc1cc(C)c(CC[P@](=O)(O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 26743867 AAQMQVNMIKIIFW-KRWDZBQOSA-N 408.406 4.066 0 1 HIAF Cc1cncc(C)c1-c1ccc2c(=O)c(C(N)=O)cn(-c3ccc(O)cc3Cl)c2c1 27313153 KUKWQBFMLVFMML-UHFFFAOYSA-N 419.868 4.127 0 1 HIAF COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1I 27992048 CYSYOZSBZCGURR-UHFFFAOYSA-N 408.191 4.082 0 1 HIAF CN1[C@@H](C(=O)NCc2ccccc2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 36378257 QRAQLPHQVSZGDI-MJXNMMHHSA-N 415.324 4.035 0 1 HIAF COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)N1CCOCC1 40394404 PYHWWPPLQATTEX-FQEVSTJZSA-N 413.315 4.428 0 1 HIAF CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC2CCCCCC2)[C@@H](C(C)C)C1 45284138 VPTJLDZKNJLOMA-ILBGXUMGSA-N 401.639 4.135 0 1 HIAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)O)C3)co2)cc1 82069322 VRRTXBOCAOLPSC-KRWDZBQOSA-N 400.475 4.238 0 1 HIAF C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(Cl)c1 84714506 VAYFGQOETGYPTK-AWEZNQCLSA-N 422.978 4.429 0 1 HIAF CC(C)Oc1ccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1 142163200 ZIMZRWUPTPFDPR-LHHJGKSTSA-N 422.506 4.354 0 1 HIAF O=C(CNC(=O)c1ccc(OCc2ccccc2)cc1)N[C@@H]1CCCc2ccccc21 149037988 ZBDPIQKBBUTDEH-XMMPIXPASA-N 414.505 4.189 0 1 HIAF Cc1ncc(C(=O)N[C@@]23CCC[C@@](NC(=O)c4cccc(Cl)c4)(CC2)C3)s1 169710853 PLUGGALXTRCKCA-UXHICEINSA-N 403.935 4.110 0 1 HIAF CCCCOC(=O)[C@@H]1C[C@](C)(O)C[C@@H]2[C@@H]1CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@]12C 238734707 LNFYPZFRGUFQCL-IWAYPSTESA-N 418.530 4.421 0 1 HIAF O=C(O)c1cc(F)cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586921813 NNDRZHIXXJVLNN-UHFFFAOYSA-N 410.426 4.041 0 1 HIAF N[C@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(Br)cc1 586996326 FKZYMQLMHSZPOT-GFCCVEGCSA-N 413.088 4.470 0 1 HIAF O=C(O)c1ccc(-c2cc(-c3nc4c(S)nc(S)nc4[nH]3)ccc2F)cc1F 587139260 FDXXPDSOMYTAOE-UHFFFAOYSA-N 416.434 4.241 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cccc(Cl)c32)[C@@H]1c1ccc(F)cc1 587328900 KRHPLJYFEDDAKW-GCJKJVERSA-N 409.800 4.391 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2CCN(CC2)[C@H]1Cc1ccccc1OC 587480007 BRBAGOLUULARBB-AHWVRZQESA-N 421.537 4.394 0 1 HIAF Nc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539770 JKQZNLHAGXJAGY-YLJYHZDGSA-N 412.239 4.440 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591635 WOZSGIJHIGZZFJ-CVDCTZTESA-N 415.401 4.363 0 1 HIAF CCCNc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614054 QYSLYKASQADDMQ-VGSWGCGISA-N 410.495 4.856 0 1 HIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C[C@](F)(Cl)C(F)(F)Br 587649268 OOHSPFJMLVMCPH-GFCCVEGCSA-N 418.662 4.315 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCC3=O)c2)N1 587766376 GLRWHMJVNGPBHJ-ODXCJYRJSA-N 403.295 4.123 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)c3ccccc32)N1 587820256 AOYWNDWEPVOVEW-QRVQBPJGSA-N 404.279 4.328 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)s2)N1 587853157 LAJQWBWCLOOBFL-INWYIAFRSA-N 406.118 4.431 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(COC34CC5CC(CC(C5)C3)C4)nc-2[nH]1 587951373 UALOCZZLKWZUFR-UHFFFAOYSA-N 405.502 4.108 0 1 HIAF Cc1cc2c([nH]1)CC(C)(C)C[C@]21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962622094 AUOHGSVICUXNDD-OXJNMPFZSA-N 408.420 4.037 0 1 HIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](COC=C(F)F)(c3ccccc3)N12 962674204 VUEYDPSCAXKZCJ-RPWUZVMVSA-N 424.447 4.332 0 1 HIAF CC(C)(C)OC(=O)N(C[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21)C(C)(C)C 962760476 FEVUJNZJPVKYNC-HOTGVXAUSA-N 414.468 4.409 0 1 HIAF C[C@@H](c1cc(-c2ccc(F)cc2)no1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F 1772606380 AQIPXROKPZTTAH-YEJXKQKISA-N 414.387 4.042 0 1 HIAF CCN(CC)c1nc(Cn2cc(C)cc2C(=O)Nc2ccc(C(=O)O)cc2)cs1 1857560071 YSXMOUMAMBJUOP-UHFFFAOYSA-N 412.515 4.098 0 1 HIAF CCOC(=O)c1cc2cc(OC(=O)NC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 1857602568 LLZUALDCWPLAMC-UHFFFAOYSA-N 421.497 4.098 0 1 HIAF CC(=CCOC(=O)CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]23COC(=O)C2=CCC[C@@H]31 2356448633 KCSXWFRRJNDLTQ-ZDZLMVPKSA-N 404.503 4.047 0 1 HIAF C[C@@H](c1ccon1)N(C)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 11843947 JBQXCOVWKGUGDV-AWEZNQCLSA-N 414.893 4.333 0 3 HIAF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 769208 UHOYXVCERVTWJE-UYAOXDASSA-N 411.914 4.392 0 1 HIAF CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(F)c(F)c2)cc1 836804 ZVNVGVWXTHIDSW-UHFFFAOYSA-N 402.344 4.444 0 1 HIAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 4055062 GQNUGIAZZYIEJI-ZEYPLWLESA-N 422.912 4.472 0 1 HIAF O=c1c2ncn([C@@H]3CCCCO3)c2n(-c2ccccc2)c(=S)n1-c1ccccc1 5580262 MKWJBHBVTAYNSD-SFHVURJKSA-N 404.495 4.406 0 1 HIAF Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)/C=C/c3ccccn3)C2)n1 11971339 RCTFCLCOMXXSBO-CVTTXWKISA-N 402.473 4.406 0 1 HIAF Cc1n(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1Cc1ccccc1 13651149 RWZMXMZZYRLIFO-AREMUKBSSA-N 423.536 4.434 0 1 HIAF COc1cc2c(cc1O)[C@H]1C[C@@H](C[C@@H]3CCCCN31)OC(=O)/C=C\c1ccc(O)c-2c1 17063618 CDTGNBVPXHNHGE-BYAGTOFKSA-N 421.493 4.401 0 1 HIAF CC[C@H](C)C(=O)O[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 44021314 PCZOHLXUXFIOCF-SOEBDWJBSA-N 404.547 4.196 0 1 HIAF CCOc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(Cl)cc12 44889103 QLIYUNLEEBUGHJ-UHFFFAOYSA-N 413.890 4.289 0 1 HIAF CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N1CCCCC1 82082438 STUBVHDRQMYIKG-NRFANRHFSA-N 405.498 4.262 0 1 HIAF O=c1c2ccccc2sn1[C@@H](Cc1ccccc1)c1nnc(-c2ccncc2)o1 95593236 HQPJMAJVSMTGNL-SFHVURJKSA-N 400.463 4.340 0 1 HIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ncccn2)c1 98176756 HROQOTIYMUULKT-LJQANCHMSA-N 403.482 4.415 0 1 HIAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1)c1ccccc1O 103220841 DILQBZZOWXNCEV-QGZVFWFLSA-N 400.751 4.152 0 1 HIAF CCc1nn(Cc2ccc(NC(=O)c3ccc(C)cc3)cc2)c(CC)c1CC(=O)O 141703480 LWNBHMDFYKBUQF-UHFFFAOYSA-N 405.498 4.244 0 1 HIAF COc1cc(-c2ccc3ncnc(Nc4ccc(C(=O)O)cc4O)c3c2)ccc1O 143152248 REWNVEJKEAUCTR-UHFFFAOYSA-N 403.394 4.158 0 1 HIAF CC(C)(O)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711120 VFSAAGKCBXDENJ-PUZFROQSSA-N 412.574 4.448 0 1 HIAF COc1cc(/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(Cl)c1OCC(C)C 587046829 MYAJNMISYKSFST-QPJJXVBHSA-N 424.892 4.406 0 1 HIAF CC(=O)c1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587170901 VNZAUIIMHGFOQD-UHFFFAOYSA-N 415.471 4.434 0 1 HIAF C[C@]1(c2nc3c(Cl)c(Br)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171830 BPPWQDBCSNKZRQ-MRXNPFEDSA-N 410.630 4.141 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C)c(OC)cc2[nH]1 587181448 QXDZMTAWJAAOBH-SNVBAGLBSA-N 410.259 4.319 0 1 HIAF N[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1cccc2ccccc12 587259549 VJJNLSRMGZLXNH-INIZCTEOSA-N 419.428 4.252 0 1 HIAF CO[C@H](C)c1ccc([C@@]2(CN)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587341125 XWADJMWBISKTIT-AWKKRCEGSA-N 421.468 4.452 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccc(Cl)cc4)c1O)[C@@H](C2)C3=O 587422090 PDQAAGAYNUCTDG-KKSFZXQISA-N 410.857 4.096 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c[nH]c(C(=O)OC)c1)CC2=O 587480826 FPKMYWIFAZKCSC-DEOSSOPVSA-N 405.450 4.368 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c1sc(N)c3C(=O)OCC)CC2=O 587493734 GLWAVYALBBSJEM-JOCHJYFZSA-N 415.511 4.362 0 1 HIAF CC1(C)Cc2nc(O)c(C(=O)O)cc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587521845 BWEALTHKLPXNRR-XMMPIXPASA-N 407.466 4.197 0 1 HIAF C[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]43C)[C@@H]1CCC2=O 587562252 TVEOVVSPPLMXMI-UBKOIBSRSA-N 405.498 4.187 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2cc(F)ccc2c1=O 587572991 UIKMASFQQOGVRV-CVDCTZTESA-N 404.349 4.341 0 1 HIAF CC(C)(C)OC(=O)[C@]1(C2=COCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606156 BTKIBXJMQLZGMX-NTKDMRAZSA-N 424.449 4.129 0 1 HIAF CSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587612319 JFWXLQOFUSSZNI-YOEHRIQHSA-N 400.843 4.260 0 1 HIAF O=C(c1cc(-c2ccccn2)nc2ccccc12)n1ncc2ccc(Cl)cc2c1=O 587652511 SZPRLSHFTVXDJL-UHFFFAOYSA-N 412.836 4.349 0 1 HIAF COc1cccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587658906 UXLILCCGCHPORQ-OAHLLOKOSA-N 418.424 4.319 0 1 HIAF CC(=O)OC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587737056 WAUHQTWJPZMFGP-JEOXALJRSA-N 410.258 4.068 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2ccccc2N)N1 587745690 GKAJSKFTEJSVIZ-ASSNKEHSSA-N 412.306 4.392 0 1 HIAF COc1ccccc1-n1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587761168 STOMVEKKAOVOOI-MPBGBICISA-N 416.294 4.406 0 1 HIAF CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774072 LXMOAHHLTNZHQK-IDTLQRJASA-N 411.315 4.101 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O[C@H](C)C(=O)O)cc2)N1 587796772 VGAFZFWXAFUSCX-HTGLOVNISA-N 422.294 4.238 0 1 HIAF CCOC(=O)C[C@]1(c2cccc(O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800183 VTZIKYJLFSQHKS-FKIZINRSSA-N 422.294 4.025 0 1 HIAF CCCCCn1c2c(c(O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c1=O)CCCC2 653728018 GWEVBIZRNGLDKU-UHFFFAOYSA-N 412.574 4.322 0 1 HIAF N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccccc2)cc1 653760134 SNNSGPYMBKEIBR-FCHUYYIVSA-N 424.504 4.347 0 1 HIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cc(F)c(Br)cc2F)N1)C(F)(F)F 962729211 HCPLMXBBDYZOQW-GJZGRUSLSA-N 420.175 4.462 0 1 HIAF COc1ccc(-n2c(C)c(C)c([C@H]3NCCc4ccc(C(=O)N(C)C)cc43)c2C)cc1 962924729 LUJPKVQXJKLVGK-VWLOTQADSA-N 417.553 4.348 0 1 HIAF C[C@]1(c2ccccc2OC(F)(F)F)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962964105 JIEVMPWKPJDKKZ-YVEFUNNKSA-N 421.749 4.379 0 1 HIAF CN(C)C1=N[C@H](c2ccc3cc(OCc4ccc(Cl)cc4)ccc3c2)NC(=N)N1 1857755915 JXDHZQDUEAEXKK-HXUWFJFHSA-N 407.905 4.116 0 1 HIAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccnc2[nH]1 2356305872 OCTAJGSIXUSXQB-VAMGGRTRSA-N 403.530 4.180 0 1 HIAF CCCC=C1OC(=O)C2=C[C@H]3CC[C@@]12[C@@H]1C2=C(CC[C@H]31)C(=CC[C@@H](C)CO)OC2=O 2356357796 LOVKMDKTRUJTIN-BTIOCGGFSA-N 410.510 4.346 0 1 HIAF CCCCC[C@](C)(O)C=C[C@H]1[C@H](CC=CCCCC(=O)OC(C)C)[C@H](O)C[C@H]1O 2356746564 DMLOOJUPVUOLJU-UQUMJBAASA-N 410.595 4.300 0 1 HIAF COc1ccc(C[C@@H](N)c2csc(Nc3cc(NCc4ccco4)ncn3)n2)cc1 61895971 PEBKOCDMVUPPRR-QGZVFWFLSA-N 422.514 4.133 0 3 HIAF COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC(C)C)c(OC)c1OC 775311 IPEVOASQYPFIBO-UHFFFAOYSA-N 414.433 4.312 0 1 HIAF COc1c(OCc2ccc(F)cc2)ccnc1C[S@](=O)c1nc2cscc2[nH]1 3796073 XSQFMWWRRXIOGG-MUUNZHRXSA-N 417.487 4.054 0 1 HIAF O=C1O[C@@](O)(c2ccc(Cl)cc2)C(Cc2ccccc2)=C1c1ccc2c(c1)OCO2 13740946 HIOIBSDPMJWBMG-DEOSSOPVSA-N 420.848 4.467 0 1 HIAF CCOc1ccc(F)c(F)c1CCNC(=S)Nc1ccc(Br)cn1 13759872 MJRKVMJMSUHOAI-UHFFFAOYSA-N 416.291 4.050 0 1 HIAF O=C(c1ccco1)N(c1cc(Cl)ncn1)C1CCN(CCc2ccccc2)CC1 27740624 PXGVJPWYBJFAQH-UHFFFAOYSA-N 410.905 4.077 0 1 HIAF CCSC(=S)SCC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 28709971 NWIKUOBTLUTCAT-UHFFFAOYSA-N 420.581 4.462 0 1 HIAF CC(C)NC(=O)[C@H](C)Sc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 33941593 FXQAHKCRKNITQZ-HNNXBMFYSA-N 405.527 4.033 0 1 HIAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@]1(C)c1cccc(C(F)(F)F)c1 73167310 ZUDXFSXGZSJDTO-SFTDATJTSA-N 422.399 4.278 0 1 HIAF COc1ccc(-c2nc3c(NCc4cccs4)ncnc3n2C[C@H]2CCCO2)cc1 82190018 KBENBPAVUXNOAB-QGZVFWFLSA-N 421.526 4.355 0 1 HIAF CN(C)Cc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 84709438 OJZJHCQBKBQNDW-UHFFFAOYSA-N 408.445 4.473 0 1 HIAF CS(=O)(=O)c1ccc(N2N=C(c3ccc(Oc4ccccc4)cc3)CCC2=O)cc1 96911509 GWXQPDFARAVUGY-UHFFFAOYSA-N 420.490 4.414 0 1 HIAF S=C1NC2=C(CNC/C2=C\c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1 101679930 FALQBQVQYUEXOX-MOVXZBDNSA-N 402.350 4.453 0 1 HIAF C[C@H](O)C[C@H](C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 113654067 HRNAVIYNHGZRMP-STQMWFEESA-N 408.483 4.030 0 1 HIAF CCC[C@H](O)C1=CC(=C(Br)Br)N(c2ccccc2)C1=O 114389021 KBMALTYDDVUIAD-ZDUSSCGKSA-N 401.098 4.080 0 1 HIAF Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2cnn3C(C)C)nc1 142227999 NZSBFLDDHJCIGA-UHFFFAOYSA-N 400.486 4.016 0 1 HIAF O=C1C[C@H](C(=O)N2CCc3ccccc3[C@@H]2CN2CCCC2)c2cc(Cl)ccc21 144247557 RRQASIUAJTWWEC-VXKWHMMOSA-N 408.929 4.232 0 1 HIAF Cc1nc2cccnc2n2c(-c3cc(O[C@H](C)C4CCOCC4)ccc3Cl)nnc12 145717518 VWFNAIFRRIYIIT-CQSZACIVSA-N 423.904 4.495 0 1 HIAF O=C(CNC(=O)c1ccc(OCc2ccccc2)cc1)N[C@H]1CCCc2ccccc21 149038194 ZBDPIQKBBUTDEH-DEOSSOPVSA-N 414.505 4.189 0 1 HIAF CCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(-c4cccnc4)cc3C2)cc1 166117763 TUYOUCDPHHSPBV-UHFFFAOYSA-N 400.482 4.436 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccc(C)c(F)c1 261136684 MERZSQYPCHEOMK-FQEVSTJZSA-N 422.456 4.459 0 1 HIAF Clc1ccc(Br)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 586979876 DXRITCMRWJAHBT-UHFFFAOYSA-N 406.711 4.478 0 1 HIAF Nc1nccc2[nH]c(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc12 586984202 OHLLDPMLLXJOKR-UHFFFAOYSA-N 408.259 4.222 0 1 HIAF Ic1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587043440 ZNKBYJQHGPRJQM-CABCVRRESA-N 421.307 4.114 0 1 HIAF Oc1nc(NCc2ccccc2)c2nc(-c3cc(Cl)nc4ccccc34)nc-2[nH]1 587085593 VXMNCRVJLQCTCI-UHFFFAOYSA-N 402.845 4.491 0 1 HIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587092986 CIDBHEYCUOUWPZ-RXMQYKEDSA-N 418.135 4.474 0 1 HIAF COC(=O)c1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587115930 FREHAQRBAOGYEU-UHFFFAOYSA-N 400.154 4.193 0 1 HIAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc(NC(N)=O)cc4)nc3c2)cc1 587243744 PUFIHFHAWLXYPQ-UHFFFAOYSA-N 402.410 4.299 0 1 HIAF Oc1nc(O)c2ccc(-c3ccc(Br)cc3OCc3ccccc3)nc2n1 587366725 PQSBGGFHHRRIRA-UHFFFAOYSA-N 424.254 4.445 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccc(Cl)cc4)c1O)[C@@H](C2)C3=O 587422085 PDQAAGAYNUCTDG-HRAATJIYSA-N 410.857 4.096 0 1 HIAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCOCC1 587518986 SFWMEYBXXGVRPM-DEOSSOPVSA-N 407.510 4.113 0 1 HIAF CCOC(=O)c1[nH]c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587586997 DUMBQWALFOENNU-PGRDOPGGSA-N 407.422 4.217 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(c2nccn2C)N1 587731787 ZXNMFRQLQJNFBZ-YUNKPMOVSA-N 418.285 4.287 0 1 HIAF COc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587739189 GJKMIVUZMHPCLG-NXVOGEQNSA-N 419.338 4.450 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCN(C)C)c2)N1 587743138 VUBKMKWISMFRGN-ZUOKHONESA-N 407.327 4.152 0 1 HIAF COc1ccccc1[C@]1(CNC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756673 RZYCWAHRHUQWIX-QKKBWIMNSA-N 421.354 4.373 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C(=O)C2)N1 587767652 JOTNCJXYSCZYAZ-SPLOXXLWSA-N 417.322 4.140 0 1 HIAF COc1ccc(C[C@H](C)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1OC 587926260 LOYMAJPLHGZASJ-QMMMGPOBSA-N 400.788 4.340 0 1 HIAF CN1CCN(c2ccc3nc(-c4cccc5ccccc45)c(-c4ccncc4)n3n2)CC1 653749412 RTWXJPNBTHXJKE-UHFFFAOYSA-N 420.520 4.363 0 1 HIAF CC(C)=C1NCCc2ccc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)cc21 962729914 LANPMCARBSSPBX-FPOVZHCZSA-N 400.444 4.318 0 1 HIAF CCOC(=O)C[C@H]([C@]1(C)NCCc2c1sc(C)c2C)P(=O)(OCC)OCC 963029275 RIWDQYPODDGJJU-APWZRJJASA-N 417.508 4.314 0 1 HIAF Clc1ccc(C2=NO[C@@H](CN3CCN(c4nsc5ccccc45)CC3)C2)cc1 1772582165 RPDCHZKZAVRDMM-QGZVFWFLSA-N 412.946 4.265 0 1 HIAF CCc1ccc(CN2CCN(Cc3ccc(CC)cc3)[C@H](Cn3ccnc3)C2)cc1 1857597568 DPBSNGNCJMLBES-SANMLTNESA-N 402.586 4.395 0 1 HIAF CC(C)CNC(=O)[C@@H]1[C@H]2C=C[C@@H]3[C@H]4[C@@H]2[C@@H](CCCc2ccc5c(c2)OCO5)[C@H]4C[C@H]31 2356368715 MZNYKIXDEPFZJF-AGJZDFAHSA-N 407.554 4.441 0 1 HIAF Cc1cc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)n[nH]1 15934928 IQFVZEAIOKMHBE-GOSISDBHSA-N 414.513 4.112 0 3 HIAF O=C(Nc1ccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)c(Cl)c1)c1ccccn1 66124033 UYGDCIXFYIWDMR-INIZCTEOSA-N 405.841 4.034 0 3 HIAF CCCn1c(=O)c(N2CCN(c3ccccc3)CC2)nc2sc3ccccc3c21 1860505 GTWZBGCKINLREQ-UHFFFAOYSA-N 404.539 4.348 0 1 HIAF CCCCN(CC)c1nc(C)nc2c1ncn2-c1c(Cl)cc(OC)cc1OC 13795031 ONURHJKRLLGMBV-UHFFFAOYSA-N 403.914 4.421 0 1 HIAF CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)OC[C@@](O)(c1ccc(O)cc1O)C2=O 14727572 YHOORZKAQSJJSM-RUZDIDTESA-N 424.493 4.284 0 1 HIAF biogenic C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1 28760840 IBUFHEOAFDYSLT-SKPFHBQLSA-N 422.569 4.202 0 1 HIAF CC1(C)CCC[C@]2(C)[C@@H]3C[C@H](O)[C@]4(C)[C@@H]5C(=CC[C@@H]4[C@]3(C)CC[C@H]12)C(=O)O[C@H]5O 34010733 ATVQOEWPZTUPDT-XDGWIERRSA-N 402.575 4.444 0 1 HIAF 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)Nc1cccc(N)c1 58486850 GXYDBTCLBZLDRJ-RKRMHJIESA-N 407.558 4.121 0 1 HIAF COc1cc2nc(NC[C@H]3CCCO3)nc(NCCCc3ccccc3)c2cc1OC 82132075 DSUBEPYUOPTAEE-GOSISDBHSA-N 422.529 4.283 0 1 HIAF COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 82132240 USPHLNZLFIAUCS-LMQGHGSNSA-N 422.573 4.393 0 1 HIAF COc1ccc(NC(=O)c2ccccc2F)c(C(=O)Nc2ccccc2C(=O)O)c1 84711842 ISTIHGHWCPUYDM-UHFFFAOYSA-N 408.385 4.037 0 1 HIAF CCC1C[C@H]2C(=O)[C@H](C1)[C@H](c1ccc(O)c(OC)c1)N[C@@H]2c1ccc(O)c(OC)c1 102997634 DJQKXCZAWGHYAP-OZTVYSSKSA-N 411.498 4.122 0 1 HIAF C[C@@H](C[C@@H](C)O)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 113654065 HRNAVIYNHGZRMP-OLZOCXBDSA-N 408.483 4.030 0 1 HIAF C[C@@]1(c2cc(Nc3cccc4cc(OC(F)F)cnc34)ccc2F)COCC(N)=N1 143079227 CHPYWNCYTLASBD-NRFANRHFSA-N 416.403 4.322 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccnc(OC[C@H]4CC4(F)F)c3F)C2)cc1 145757066 VWAYBWSVJJEUQF-SCLBCKFNSA-N 419.447 4.056 0 1 HIAF O=C(NCCCc1ccccc1)c1cnc(NC(=O)N2Cc3ccccc3C2)s1 166293254 KLCUUXIMSHUQFC-UHFFFAOYSA-N 406.511 4.053 0 1 HIAF CC1=N[C@@]2(C[C@]3(CCCOC3)Oc3ccc(-c4ccc(F)c(Cl)c4)cc32)N=C1N 169708637 AMESWUXBYLEHJV-VXKWHMMOSA-N 413.880 4.462 0 1 HIAF CC1=CCC[C@H]2[C@@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@@H](CO)[C@]2(C)CCc1ccoc1 238762130 AIGWUCNUZVDRHF-YBROWDRVSA-N 418.530 4.370 0 1 HIAF CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 299875466 CZLSVMXLHBIJOW-MTOHEIAKSA-N 417.557 4.272 0 1 HIAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3cccc(CO)c3)[nH]c2c1 586895338 FMWRJVJBIUJFBX-UHFFFAOYSA-N 413.886 4.176 0 1 HIAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(N)ncc4[nH]3)c(=O)oc2c1C 586918961 VTLQGOSSKNVENR-UHFFFAOYSA-N 404.470 4.199 0 1 HIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(C(=O)O)cc4[nH]3)c2)cc1 586930812 HMOLEFGIMZQCSA-UHFFFAOYSA-N 421.478 4.062 0 1 HIAF COC(=O)c1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 587031696 LCTCQSMXMBARSV-UHFFFAOYSA-N 413.499 4.371 0 1 HIAF CS(=O)(=O)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587149951 JBJVYTQHRHPXEY-FQEVSTJZSA-N 414.433 4.413 0 1 HIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587189272 AURDYULOVKNYBT-CYBMUJFWSA-N 407.396 4.280 0 1 HIAF COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587353696 RVKKVYNXOAYQCQ-URXFXBBRSA-N 422.408 4.298 0 1 HIAF C[C@H](C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O 587573450 WPFMSNWAVSJNCY-AQDXNVIQSA-N 422.408 4.499 0 1 HIAF C[C@@]1(c2cccc(N3CCOCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595671 PWVTWNBBDHMAOH-DHLKQENFSA-N 417.461 4.106 0 1 HIAF C[C@H](Sc1nc2ccccc2s1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587653199 FKSSPFFESZFQER-JTQLQIEISA-N 401.900 4.481 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCOCC3)c2)N1 587774886 QBISGVCVGTXFEI-SPLOXXLWSA-N 419.338 4.223 0 1 HIAF COC(=O)c1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587805352 TVJYXPOOXDKJLN-OVWNDWIMSA-N 417.278 4.480 0 1 HIAF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587808498 QJLZXDXTJIYWLX-YPMLDQLKSA-N 408.267 4.007 0 1 HIAF CSc1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1 653677663 IISDZKGQQUJOBN-UHFFFAOYSA-N 407.543 4.369 0 1 HIAF COc1cccc2cc3c(nc12)[C@](c1ccccc1)(c1sc(N)nc1C)NCC3 963045460 FWIZEKVBDBZYTK-HSZRJFAPSA-N 402.523 4.028 0 1 HIAF Cc1nc2ccc(-c3ccc(CN4CCC[C@@H]4CO)cc3)cc2n1C[C@@H]1CCCO1 1772607593 WQSNRUPTXRLHMZ-PKTZIBPZSA-N 405.542 4.147 0 1 HIAF CCN(CC)CCNC(=O)c1cccc(-c2cnn3ccc(-c4cccs4)nc23)c1 1857753696 YSKSTXLCXKYQRX-UHFFFAOYSA-N 419.554 4.196 0 1 HIAF CSc1cccc(N=c2nc(C[C@H](C)NC3CC(C)(C)NC(C)(C)C3)[nH]s2)c1 1857765767 OOCFBHULZBKRPH-AWEZNQCLSA-N 419.664 4.255 0 1 HIAF C[C@]1(C(=O)Nc2ccc(Cl)cc2)Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61906428 AXPJSNBGUWPGMH-JOCHJYFZSA-N 408.841 4.463 0 3 HIAF C[C@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 2724683 DSPJRFUPQVUUDT-WNSKOXEYSA-N 422.431 4.302 0 1 HIAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 4076040 HSPZVPFUXRJCRH-HFYSXDIOSA-N 406.935 4.017 0 1 HIAF O=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1 6580946 CJIIERPDFZUYPI-UHFFFAOYSA-N 411.461 4.327 0 1 HIAF biogenic,in-vivo Cn1c(Nc2c(Cl)cccc2Cl)nc2c3c(ccc21)C(C)(C)C(=O)NC3=O 13475191 VSVVHWVLLUAAQK-UHFFFAOYSA-N 403.269 4.171 0 1 HIAF O=C(NCCCc1ccccc1)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 13738981 QNBPTJBTPTYDEV-ZOOXZOTBSA-N 411.501 4.343 0 1 HIAF C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 22941433 JHLGZIBTXUVCIJ-HXUWFJFHSA-N 405.586 4.080 0 1 HIAF CCCCC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N21 26950951 VXZPZDGVAUGUMM-VABKMULXSA-N 415.537 4.284 0 1 HIAF O[C@H](CCN1CCN([C@H]2C=Cc3ccccc3N2)CC1)c1csc2ccccc12 27412843 OJOWITMTCTZCJP-VWNXMTODSA-N 405.567 4.407 0 1 HIAF CC1(C)SC[C@@H](CCCCC(=O)Nc2ccc3c(c2)CO[C@H](C(=O)O)C3)S1 43062373 IMKWGCNSYRUWJI-SJORKVTESA-N 409.573 4.296 0 1 HIAF CN(Cc1cccc(F)c1)[C@H]1CCN(c2cc(NC(=O)c3ccc(F)cc3)ccn2)C1 45193227 OOZULWCFNJXCGH-QFIPXVFZSA-N 422.479 4.323 0 1 HIAF COc1ccc(CN(CC2CCCCC2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 59081410 ANZYYJSHJNYWAU-UHFFFAOYSA-N 417.527 4.165 0 1 HIAF COc1ccccc1C(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12 63539988 CTQIQHVVPQICIK-UHFFFAOYSA-N 424.464 4.131 0 1 HIAF O=C(O)CCc1cccc(N2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)c1 73295106 XUWVCPYSUSCWLU-YVRUHCSNSA-N 413.901 4.012 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1 82133376 GLQAAGZIAZUBKM-OAHLLOKOSA-N 404.470 4.013 0 1 HIAF C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82211954 ZPWXNTGGQIFARZ-INIZCTEOSA-N 406.530 4.046 0 1 HIAF O=C([C@@H]1COc2ccccc2O1)N1N=C(c2ccccc2)C[C@@H]1c1cccc(F)c1 95562036 OXPBOTODAMHWNT-OFNKIYASSA-N 402.425 4.343 0 1 HIAF CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 95595797 IVPRIRIFLMWNSH-HOTGVXAUSA-N 420.494 4.035 0 1 HIAF CCCOC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 96286032 KDYJIWZXMZGJQG-KRWDZBQOSA-N 407.513 4.327 0 1 HIAF Nc1ccc2c(c1)[C@H](O)[C@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2 103232419 LNIMWHNBBWKUND-BXKMTCNYSA-N 409.505 4.415 0 1 HIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](NNc3ccccc3)[C@@H]2C)OCO4)c1O 105521037 YUFWLCGNALQQFC-FUEHQLCJSA-N 420.465 4.233 0 1 HIAF Cc1cc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)ccc1Cl 167426156 XEODZNQRERFCHJ-UHFFFAOYSA-N 407.901 4.454 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccccc1F 203894686 RIXYKFDQEVIVNT-IBGZPJMESA-N 408.429 4.151 0 1 HIAF O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccon1 261086089 CORJZZNGLVYDPC-WOVMCDHWSA-N 407.445 4.408 0 1 HIAF Nc1nc(N)c2c(n1)N[C@H](c1sc(Cl)nc1Cl)CC(c1ccccc1)=N2 299870863 WYUKCGZVMOYEDC-VIFPVBQESA-N 406.302 4.082 0 1 HIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(Br)ccnc3[nH]2)c1 586915602 OSTYNPAGVIBUQK-UHFFFAOYSA-N 410.227 4.489 0 1 HIAF Cc1ccc(CNC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586987139 ARAYKTIJJQVMFB-UHFFFAOYSA-N 408.457 4.319 0 1 HIAF Cc1nc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2cc1Br 587041783 FIZOYFGWZKUSSV-CYBMUJFWSA-N 423.723 4.338 0 1 HIAF Nc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cn1 587160700 BHBOVKXQBFNIEI-UHFFFAOYSA-N 400.211 4.296 0 1 HIAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587250223 QOYZRTMWQVOMJF-UHFFFAOYSA-N 414.181 4.215 0 1 HIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cl)c3ccccc32)[C@H]1c1ccc(F)cc1 587329551 LMKUJZVJRKGTJK-SIKLNZKXSA-N 409.800 4.286 0 1 HIAF COCCOCCCc1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1F 587426138 LRBIDLCUABLYOG-DVECYGJZSA-N 414.473 4.093 0 1 HIAF COC(=O)c1ccc(-c2ncccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587437224 YAJUAWAZIMKPPT-WZONZLPQSA-N 401.418 4.033 0 1 HIAF COCCc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614149 RJGOWYDZXYCUHT-AVRDEDQJSA-N 411.479 4.223 0 1 HIAF CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C(=O)O)cccc12 587637973 RSODUNFVXPAZMO-UHFFFAOYSA-N 405.328 4.298 0 1 HIAF COc1ccccc1NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655613 AYBSVGDOYYOAJQ-UHFFFAOYSA-N 421.403 4.103 0 1 HIAF Cc1nn(C)c(C)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587705439 MPCMICFKGXIXSR-ZKANADHPSA-N 420.248 4.279 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(CCN)c3ccccc23)N1 587753935 CDFHQTNIHKHRQV-YEJXKQKISA-N 416.338 4.299 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)c3ccccc3)C2)N1 587767224 JFXBEQURSNMKAN-LHSJRXKWSA-N 417.322 4.254 0 1 HIAF Cc1c(C(=O)O)oc2c1[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587826252 DWFFYOZCXPOOBD-HOGDKLEQSA-N 408.267 4.302 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2N2CCSCC2)N1 587854772 GWJDYMZKBXIWAF-VMDGZTHMSA-N 413.400 4.309 0 1 HIAF O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccc2c(c1)OCCCO2 653730212 JXGOOOYEZCRLHL-UHFFFAOYSA-N 420.339 4.235 0 1 HIAF O=C(c1ccccc1)c1ccc2c(c1)oc(=O)n2C(=O)NCCCCc1ccccc1 653790201 OVYCTSIDMKYFCH-UHFFFAOYSA-N 414.461 4.406 0 1 HIAF COc1ccc2c(c1)C1(CCN([C@H](C(=O)O)c3ccccc3)CC1)N(C(C)C)CC2 962044172 MCAWPTCWAHILDI-QHCPKHFHSA-N 408.542 4.079 0 1 HIAF CC(=O)c1ccc2cccc([C@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2n1 962775174 ZIEPGAQDPQAHQA-DENIHFKCSA-N 412.411 4.347 0 1 HIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCc2nnc(N)s2)(c2ccccc2)N1 962955077 RQHBKKUYQRMKCZ-HJPURHCSSA-N 403.555 4.402 0 1 HIAF COc1ccc(-n2cc(NC(=O)Cn3ccc(-c4cccc(Cl)c4)n3)cn2)cc1 1857645477 CCWFKHGNLYYUHD-UHFFFAOYSA-N 407.861 4.037 0 1 HIAF CO[C@H]1C[C@H]2C(=C[C@@H]1c1c[nH]c3ccccc13)[C@H]1CN2Cc2cc3c(cc21)OCO3 1857762695 WEZXDRJSFPHZIJ-VLSUOOLDSA-N 400.478 4.307 0 1 HIAF CC1=C[C@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356697102 JHTXRKPGWPKLQU-QRVBRYPASA-N 411.546 4.249 0 1 HIAF O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCCN2C(=O)C2CCCCC2)on1 61903918 AAQBRUMKUJLJAZ-FQEVSTJZSA-N 413.493 4.378 0 3 HIAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 4208356 LKIKRFUYRAOTBB-JTZSMWBOSA-N 406.935 4.017 0 1 HIAF COc1ccc(-n2nc(C(=O)Nc3cnc4ccccc4c3)c3ccccc3c2=O)cc1 9505623 KVMOQYTTZIFTPQ-UHFFFAOYSA-N 422.444 4.195 0 1 HIAF O=C(Nc1nc2c(s1)CCCC2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C1CC1)N2 13123783 OOIIANIFWVIHLY-BXUZGUMPSA-N 411.453 4.168 0 1 HIAF O=C1NC(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 13680105 OGAIUTUFCWEMLV-ZDUSSCGKSA-N 410.065 4.009 0 1 HIAF Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 28889734 MNCGWHHPXZQUQI-UHFFFAOYSA-N 409.799 4.352 0 1 HIAF Cc1nc(-c2nc(-c3ccc(C(N)=O)cc3)[nH]c2-c2ccc3c(c2)OCO3)cs1 73295445 JTANZEBEHQHBTJ-UHFFFAOYSA-N 404.451 4.003 0 1 HIAF C[C@H](NC(=O)[C@@H](N)C1CCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1 96167870 ZFIDLIZAQNLPSV-UZLBHIALSA-N 402.431 4.317 0 1 HIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccc(F)cc1C 203880082 VWQFQZLVYLMYIG-FQEVSTJZSA-N 422.456 4.459 0 1 HIAF CC(=O)Nc1cccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)c1 219777869 QVMMKPSLTGLMFQ-RUZDIDTESA-N 416.521 4.110 0 1 HIAF COc1ccc2c(c1)cc1n2CCN2C(=O)c3cc(Br)ccc3N(C)[C@H]12 221935531 OXENKJYUTVNMFU-IBGZPJMESA-N 412.287 4.017 0 1 HIAF Cc1c(C(=O)C2CC2)nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cn12 224398558 BXXXYZIOUUHSOK-UHFFFAOYSA-N 417.440 4.104 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN2[C@H](c3ccccc3)CCC[C@@H]2C1 253691683 SOGJYZZBYBPOFE-LZJOCLMNSA-N 413.949 4.419 0 1 HIAF COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2OCCC[C@H]12 254046366 COSCUZRDNFVXDW-SUUSFRPXSA-N 409.320 4.297 0 1 HIAF C[C@H]1CCC[C@@H](C)[C@@H]1COc1cc(F)c(C(=O)NS(=O)(=O)C2CC2)cc1Cl 261158760 QKIAAUILZUAVKM-JYAVWHMHSA-N 417.930 4.152 0 1 HIAF Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(F)cc1)[C@H]2C(=O)NC(C)(C)C 299822736 CHKJWQTUWHHRSS-JOCHJYFZSA-N 407.489 4.253 0 1 HIAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(C3CCCC3)n2)c1O 299835193 LYEQQHUNRMJWEV-UHFFFAOYSA-N 411.911 4.125 0 1 HIAF CS(=O)(=O)Nc1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 586950758 LGDWFCPFFGJBII-UHFFFAOYSA-N 405.785 4.153 0 1 HIAF CCOc1ccccc1[C@@](N)(c1nc2ccc(Br)cc2[nH]1)C(F)(F)F 587092416 MMGDYOXAYOMLHY-MRXNPFEDSA-N 414.225 4.489 0 1 HIAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cncc(OC)c3[nH]2)c1C 587165824 LIEZRITUXUGBCE-UHFFFAOYSA-N 422.460 4.302 0 1 HIAF Cc1c(I)cnn1[C@@H](C)c1nc2cc3ccccc3cc2[nH]1 587181858 GCSOZMZHIDJSPB-NSHDSACASA-N 402.239 4.435 0 1 HIAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587223305 BQBPAINHZGCJBT-SNVBAGLBSA-N 413.783 4.199 0 1 HIAF C[C@]1(CC(=O)NCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339643 SGBIHERPYKBFCO-UKILVPOCSA-N 419.452 4.355 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cc(-n4cccn4)ncn3)cc1)O2 587393074 YPGMMPAQSOKVEO-HXUWFJFHSA-N 413.437 4.052 0 1 HIAF CCc1cc(=O)oc2cc(C)cc(OC[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12 587408834 ORAWWOCNQNGFSP-XMMPIXPASA-N 407.466 4.357 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccc(F)c(F)c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587425233 ANMXPANDFTXACS-BXKMTCNYSA-N 422.383 4.363 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(OC(F)(F)F)cc21 587464574 SZPYJBKTZOGSBR-IBGZPJMESA-N 407.344 4.056 0 1 HIAF C[C@@]1(c2ccc(O)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588299 SHASSYDXIZUDBK-RDPSFJRHSA-N 415.401 4.229 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H]1CCCNC1 587595886 PJMJLXBTDVDMSE-WSUBETFTSA-N 401.462 4.249 0 1 HIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(Cl)cn1 587621951 QODBWTVOUJGRQT-UHFFFAOYSA-N 404.655 4.416 0 1 HIAF CC(=O)OC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587729181 CETUQCGEHWBIMP-NSPYISDASA-N 410.258 4.068 0 1 HIAF COC(=O)c1coc2c1[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587827324 JLYAVIXRDKXZPJ-APBUJDDRSA-N 408.267 4.082 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(CN(C)C)o1 587863818 AGWLSXAGTYYLGD-UHFFFAOYSA-N 407.392 4.311 0 1 HIAF Fc1cc(F)c(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1 653665398 RUXNUUZGYYXZRX-UHFFFAOYSA-N 415.419 4.064 0 1 HIAF C[C@@H]1CN(Cc2ccccn2)CC[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962696694 GRMLXFSMLNOLCS-WWEVIYMKSA-N 411.590 4.322 0 1 HIAF Cc1cccc2c1N(C)C=C(C(=O)O)[C@]21c2ccsc2CCN1Cc1ccco1 962716067 TYYJGEPYAZDBQB-QHCPKHFHSA-N 406.507 4.370 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]21)[C@@H](OC(C)=O)C1=C(C)C(=O)O[C@@H]1C3 2356480383 AMSYBMMUEQADOI-CYQJCTBBSA-N 416.514 4.030 0 1 HIAF COc1ccc([C@H](CC(=O)N2CCC[C@@H](C)C2)c2c(O)cc(OC)cc2OC)cc1 13661415 JESWDHXLYTYZAC-UZLBHIALSA-N 413.514 4.199 0 3 HIAF COc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 61923821 YUNAFMYDWMIAOK-SGNDLWITSA-N 410.562 4.093 0 3 HIAF Cn1nc(C(C)(C)C)cc1N1C(=O)CC[C@@]1(C)C(=O)Nc1ccc2ccccc2c1 95601266 IAWOMVQRHVXXMU-DEOSSOPVSA-N 404.514 4.395 0 3 HIAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCCc1c(Cl)cccc1Cl 771057 KPUSGQDBNYCENW-OAQYLSRUSA-N 421.324 4.492 0 1 HIAF C[C@@]1(C(=O)NCc2ccccc2Br)CON=C1c1cccc(Cl)c1 772117 JKJICTHZDHTMIZ-GOSISDBHSA-N 407.695 4.160 0 1 HIAF COc1cc(C(C)(C)C)c(OC(=O)/C=C/C(=O)O/C=C/[N+](=O)[O-])c(C(C)(C)C)c1 5950619 ZVTXJIHHTKOISF-BNFZFUHLSA-N 405.447 4.043 0 1 HIAF C[C@]12CC[C@H]3c4ccc(OP(=O)(N5CC5)N5CC5)cc4CC[C@H]3[C@@H]1CCC2=O 17323947 QFASSRYAKVZHGY-IIZPIQPGSA-N 400.459 4.230 0 1 HIAF CCOC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2 34517452 AKVQJIISOMHZTO-IVAOSVALSA-N 401.453 4.143 0 1 HIAF N[C@H](CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(C(F)(F)F)cc1 35860685 BRTIFMBVAUCZIX-HNNXBMFYSA-N 418.448 4.082 0 1 HIAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(F)cc1 38359394 PQUIAOFHYBQBIA-QGZVFWFLSA-N 413.927 4.402 0 1 HIAF O=C1C=C(C(F)(F)F)[C@@H]2C=C(N(Cc3ccccc3)CC(F)(F)F)C=C[C@H]2N1 52996775 XXMVSLOGYARTFA-GOEBONIOSA-N 402.338 4.108 0 1 HIAF COc1ccc(/C=C\N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccccn2)cc1 73062287 QVDMHXUBHJZRFF-SSZFMOIBSA-N 418.493 4.463 0 1 HIAF CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)O 82070049 FJURSDOOAOGTAC-GFCCVEGCSA-N 424.297 4.218 0 1 HIAF COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccc(OC)c3F)ccc1O2 95579319 NSIJUJTVSFVOSJ-QHCPKHFHSA-N 406.413 4.204 0 1 HIAF COc1ccccc1N1CCN(C[C@@H]2CO[C@@H](c3cccc4ccccc34)O2)CC1 103220215 ZPOXZVXRHXPTRT-CJFMBICVSA-N 404.510 4.085 0 1 HIAF COCCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnn1C 114774231 CJNRCOWLIRPSLZ-UHFFFAOYSA-N 419.403 4.383 0 1 HIAF Cn1c(=O)ccc2cc([C@@H]3CCN(C(=O)OC4C5CC6CC(C5)CC4C6)C3)ccc21 142426333 LMIMAVCHOCDGGS-AMLODAPQSA-N 406.526 4.289 0 1 HIAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2)nc2ccc(C(F)(F)F)cc21 143958681 CUXYCPLCNZQYIO-LLVKDONJSA-N 415.412 4.254 0 1 HIAF O=C1c2nnc(-c3ccc(F)cc3)n2CCN1Cc1cccc(C(F)(F)F)c1Cl 219139534 LCNBYJZWIZWCKK-UHFFFAOYSA-N 424.785 4.412 0 1 HIAF COc1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)ccc1F 221091276 TYJMNGKEIHXBJU-TUIFFPIZSA-N 408.445 4.147 0 1 HIAF Cc1ccccc1N(CCO)C(=O)Nc1ccc(-c2ncnc3[nH]cc(C)c23)cc1 299854947 APKDACACJQNRMB-UHFFFAOYSA-N 401.470 4.273 0 1 HIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cncc(Br)c3[nH]2)c1 586914875 DAMNQJCOKCYJGU-UHFFFAOYSA-N 410.227 4.489 0 1 HIAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(F)cc(F)c2[nH]1 586946977 WXHZCIZYQGILCE-UHFFFAOYSA-N 411.480 4.110 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)c(F)ccc2[nH]1 587181267 PYTJJJODDNSUAP-SSDOTTSWSA-N 402.186 4.280 0 1 HIAF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5cccnc5N(C)C)nc4c3)o2)cc1 587195283 GCRRHTPSEYXWOW-UHFFFAOYSA-N 412.453 4.417 0 1 HIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587201562 SERFVPLENMARDV-UHFFFAOYSA-N 401.486 4.469 0 1 HIAF C[C@@]1(c2ccc3oc(N)nc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336719 OGLKFMYAKOYSMJ-REWPJTCUSA-N 404.397 4.529 0 1 HIAF O=C(O)C1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587360447 VMGWNESECLNLML-URXFXBBRSA-N 418.376 4.147 0 1 HIAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Cl)c1OC(C)=O 587424109 XJLZTXRGJAGAKS-VLIAUNLRSA-N 402.830 4.161 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1N1CCOCC1 587556847 KMUIJTICNKWRGO-QPPBQGQZSA-N 421.424 4.071 0 1 HIAF CCn1ncc(Br)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587676875 GLPAANAQEFSSSD-XLKFXECMSA-N 417.120 4.191 0 1 HIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587704309 JCWQDWNQHWKYCO-GSDQYQHOSA-N 420.269 4.316 0 1 HIAF O=C(Cn1c(=O)c(/C=C\c2ccncc2)nc2ccccc21)Nc1ccc(Cl)cc1 653726424 BZRIJAGEJSHIQM-YHYXMXQVSA-N 416.868 4.254 0 1 HIAF CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@]12c1ccsc1CCN2C(N)=O 962703696 FFSPDYJVUIBVHS-JLDZCNIISA-N 419.591 4.470 0 1 HIAF CC[C@]1(CCCCC(=O)O)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962919481 KTPAXPVGKIXBCZ-NZQKXSOJSA-N 413.470 4.034 0 1 HIAF O=C(O)c1ccc2c(c1)C(=O)c1ccccc1[C@]21c2c(F)cccc2C[C@@H]2CCCN21 963105361 MEBBRSGVMVTGTE-MRDQGFSESA-N 413.448 4.381 0 1 HIAF Cc1sc2ncn(C[C@]3(C)NCCc4c(Cl)cc(Cl)cc43)c(=O)c2c1C 963125282 TXTJUQBNSJSUBD-IBGZPJMESA-N 408.354 4.443 0 1 HIAF O=C(Nc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1)c1ccccc1 1772586284 OHVIRCSJFFPEGC-XMMPIXPASA-N 416.521 4.475 0 1 HIAF COc1cc2c(cc1OC)-c1ccc3cc4c(cc3c1N(CCN(C)C)C2)OCO4 1857635286 YUMNTRHQUNZDNO-UHFFFAOYSA-N 406.482 4.134 0 1 HIAF Cc1ccc(CNC[C@@H]2O[C@@H](Cc3cc(-c4ccc(F)cc4)on3)CC[C@H]2O)cc1 2356287581 LYJMYMOWQAIVCN-AKFKNWHVSA-N 410.489 4.030 0 1 HIAF CO[C@@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C 2356507802 HNYWCLCFGNCFCF-RLSIGXRHSA-N 420.590 4.152 0 1 HIAF O=C(CC(=O)N1N=C(N2CCCCC2)C[C@H]1c1ccccc1)Nc1ccc(Cl)cc1 1647553 AOABVNZKJIMHHB-FQEVSTJZSA-N 424.932 4.442 0 1 HIAF COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CC=C(c2ccccc2)CC1 7005117 SFIKHQLQMQJGOP-UHFFFAOYSA-N 410.495 4.137 0 1 HIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2cc(O)ccc2[C@H]1CN1CCCC1 26817524 QFXSXGDIYAVCMJ-OAQYLSRUSA-N 419.352 4.463 0 1 HIAF COC(=O)CC/C=C/CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)/C=C/C1=CCCC1 33954415 ZZVPHCPLTZTOBC-GEQFKEHBSA-N 416.558 4.206 0 1 HIAF O=C(Nc1ccc(Br)cc1)O[C@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 34105692 SWAPELXGNLSFEZ-OALUTQOASA-N 416.319 4.098 0 1 HIAF O=C(O)c1nn(Cc2cc(Br)ccc2OCc2ccccc2)cc1F 40567219 DDQCEABWCTWWBM-UHFFFAOYSA-N 405.223 4.110 0 1 HIAF CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O 95559716 FNEORDYLRZOEEP-LJQANCHMSA-N 410.949 4.300 0 1 HIAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)[C@H](OC)[C@@H](C)[C@@H](C)C2 95590597 RCTRTBIRSVYGPR-JOOBJXAISA-N 416.470 4.330 0 1 HIAF CC(C)(C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)cc2c1OCC2 103250777 GOOXKCJWRRSCPC-FQEVSTJZSA-N 423.410 4.236 0 1 HIAF C[C@]1(c2cccc(Nc3nsc4cc(Br)ccc34)c2)COCC(N)=N1 145448088 IRNHZHZGEZSMNC-GOSISDBHSA-N 417.332 4.405 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(C)C)c3F)C2)cc1 169709820 DMKLXWUUEOSSQC-OXJNMPFZSA-N 415.509 4.110 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3C)C2)cc1 169709830 WSDLQZKDURJGRK-HTAPYJJXSA-N 409.530 4.034 0 1 HIAF C[C@H]1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 473105449 SIZSYSCZGKCDPI-NSHDSACASA-N 421.810 4.229 0 1 HIAF Cc1nc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2cc1Br 586983886 KWMPSEXJGXXZID-LBPRGKRZSA-N 410.113 4.034 0 1 HIAF COc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1F 587001988 CVYXGLJXIWRVFG-VIFPVBQESA-N 405.223 4.109 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cncc(OC)c3[nH]2)c1 587049418 IQBBOLHKBFJUJR-FPLPWBNLSA-N 413.865 4.010 0 1 HIAF FC(F)(F)[C@@](F)(Cl)c1nc2c(I)cnc(Cl)c2[nH]1 587090769 XJXZDRMAWQQGIC-SSDOTTSWSA-N 413.927 4.139 0 1 HIAF O=C1c2ccccc2-c2c(CCN3C(=O)c4ccccc4C3=O)cnc3cccc1c23 587105095 OCVBHWKMEMANAC-UHFFFAOYSA-N 404.425 4.285 0 1 HIAF O=C(NCc1nc2cc(Br)cc(F)c2[nH]1)c1cccc(C(F)(F)F)c1 587110716 ALEZLFJGFHJJRC-UHFFFAOYSA-N 416.172 4.413 0 1 HIAF Oc1nc(S)nc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587112581 WJHIZNAQPONRMG-UHFFFAOYSA-N 408.327 4.170 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)C[C@@H]1CCCO1 587197167 KNZUEAIYEWHKLB-JTQLQIEISA-N 401.294 4.181 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)c4cccc(Cl)c4)cn1C)[C@@H](C2)C3=O 587417941 FUXXIWGFCRKZCQ-GAJHUEQPSA-N 407.853 4.407 0 1 HIAF CN(C)C(=S)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587612062 IQFFIXWYQDDWEL-KNQAVFIVSA-N 421.474 4.320 0 1 HIAF CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650441 VYOPOYPLFZLKGL-UHFFFAOYSA-N 411.401 4.434 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2N2CCOCC2)N1 587723845 YRCQOHYQUHHHDD-HXPMCKFVSA-N 423.301 4.188 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC(=O)N(C)C)N1 587739976 IZGWPJMYLNKXMF-ZMZPIMSZSA-N 407.283 4.272 0 1 HIAF COc1ccc([C@]2(CCN(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587741545 ODAGRNKCURZKBT-QKKBWIMNSA-N 421.354 4.326 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnccn2)(c2ccccc2)N1 587774145 LQPRBVJCKPLHAR-SZNDQCEHSA-N 412.306 4.399 0 1 HIAF COc1ccc2occ([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 587836971 CPYYPKRYXPNNLZ-GIGQVBGESA-N 418.262 4.327 0 1 HIAF Clc1cc(Cl)c2c(c1)[C@H](c1sc(N3CCOCC3)nc1Cl)NCC2 963115154 ZNUQQAYRNGDFPL-CYBMUJFWSA-N 404.750 4.175 0 1 HIAF Cn1nc(-c2cnc(N)c(-c3c[nH]c4ccccc34)n2)nc1C1(c2ccccc2)CC1 1772644508 DSAKLJIMKNEYQI-UHFFFAOYSA-N 407.481 4.083 0 1 HIAF CCOc1ccc(S(=O)(=O)N(c2cc(OC)c(Cl)cc2OC)C(C)C)cc1 1857568871 VVVCOXBWHBWSSE-UHFFFAOYSA-N 413.923 4.360 0 1 HIAF CN(C)C(=O)c1cccc([C@@](O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1 1857593183 DXQLKALJASYDOE-DEOSSOPVSA-N 419.912 4.213 0 1 HIAF CC(=O)N=[S@](=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(C)cc1 1911576573 NRMJIUNGTHZIEJ-LJAQVGFWSA-N 411.527 4.083 0 1 HIAF CC1=Nc2nc(NS(=O)(=O)c3ccc(C)cc3)nn2[C@@H](c2ccc(Cl)cc2)C1 13124869 LHOHCQPZKMTYQG-QGZVFWFLSA-N 415.906 4.126 0 1 HIAF CCCCCc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 27998485 HGBUQTOGNIRVHU-FBRRREGBSA-N 419.485 4.097 0 1 HIAF CCCn1nc(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2cccnc21 29052399 SXLBZZWNBKTXEL-UHFFFAOYSA-N 411.469 4.267 0 1 HIAF CCc1sc(-c2ccc(C(C)(C)C)cc2)nc1C(=O)NCCCN1CCCC1=O 45202462 VEWXXTWMUXWUAW-UHFFFAOYSA-N 413.587 4.412 0 1 HIAF c1ccc2c(N3CCN(CCCCOc4ccc5c(c4)CNC5)CC3)cccc2c1 64548797 JKWVQRPLWQNRNL-UHFFFAOYSA-N 401.554 4.424 0 1 HIAF CC(C)(C)OC(=O)NCCCNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 64693592 ZTGXOOQTTQAXJK-UHFFFAOYSA-N 422.485 4.352 0 1 HIAF CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069570 PXVAPFYGCGPSSB-GOSISDBHSA-N 416.543 4.022 0 1 HIAF COCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc(C)c2)n1 82146917 JNLIQWGAYJHXLE-UHFFFAOYSA-N 410.905 4.094 0 1 HIAF COc1ccc(-c2nc3cc(C)c(C)cc3n2-c2ccc3c(N)nc(N)nc3c2)cc1 103247280 GIEXPBPEJBLVIC-UHFFFAOYSA-N 410.481 4.426 0 1 HIAF COc1ccc(CN[C@@H](CN2CCC(N3CCCCC3)CC2)c2ccccc2)cc1 116238793 VJZNTQJUCSGWKO-SANMLTNESA-N 407.602 4.476 0 1 HIAF CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccn1 169695430 VHUQCJPWPCRVMF-PMACEKPBSA-N 404.491 4.308 0 1 HIAF O=c1ccc2cc3ccoc3c(OS(=O)(=O)c3ccc(Br)cc3)c2o1 238758835 DJPUNDYHGIIVEG-UHFFFAOYSA-N 421.224 4.069 0 1 HIAF O=C(c1cccs1)c1c(C(F)(F)F)[n+](=O)c2ccc(C(F)(F)F)cc2n1O 377825236 WKSCBNKRCMRGPG-UHFFFAOYSA-N 409.287 4.123 0 1 HIAF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2ncncc2N)cc1 474609102 OEKSYTIEVKORHD-UHFFFAOYSA-N 416.934 4.478 0 1 HIAF CCOCc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)o1 586903133 MASLEKBNEFFUDZ-UHFFFAOYSA-N 401.058 4.279 0 1 HIAF Cc1cc(Br)cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586920438 KEFVEVYSNCDKBQ-UHFFFAOYSA-N 419.344 4.139 0 1 HIAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(SC)cc2[nH]1 586935937 JYYAROLBWZQINI-MRXNPFEDSA-N 407.586 4.058 0 1 HIAF Cc1cc(Cl)cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 586942764 IXFNRUJRIXZMBH-UHFFFAOYSA-N 418.733 4.353 0 1 HIAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 586944210 NYUKSCWUWUWFRI-UHFFFAOYSA-N 417.943 4.466 0 1 HIAF COC(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1OC 587016906 DXKTZMYFZODGQG-UHFFFAOYSA-N 407.451 4.084 0 1 HIAF O=C(Cc1ccsc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 587027114 PJYGSSNNENOWFA-IHRRRGAJSA-N 401.923 4.094 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3cc(NC(C)=O)ccc3Cl)nc2c1 587051392 WSEMFLQZKAXITP-UHFFFAOYSA-N 422.666 4.391 0 1 HIAF Cc1nccc2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc12 587092626 VYWFFHRHEGEGRY-UHFFFAOYSA-N 414.428 4.071 0 1 HIAF CN(C)C(=O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587116208 UCSFXJBQSGOFGK-UHFFFAOYSA-N 413.197 4.108 0 1 HIAF O=C(O)c1cc(Br)cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 587165352 RUBDUYMNBLQBPF-UHFFFAOYSA-N 415.222 4.075 0 1 HIAF CC[C@@H](c1nc2cccc(Cl)c2[nH]1)n1cc(I)c(C)n1 587186209 USTPSIKZSQLGAK-LBPRGKRZSA-N 400.651 4.325 0 1 HIAF CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587379937 YMYKJZBLLWAZOM-VGSWGCGISA-N 401.890 4.377 0 1 HIAF COc1ccc2c(c1)O[C@@H](c1ccccc1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2=O 587411002 IEMRWYGCMSKKML-LOSJGSFVSA-N 415.445 4.306 0 1 HIAF COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593033 ZYZCAZORPFBGQR-CVDCTZTESA-N 402.406 4.427 0 1 HIAF CC[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609512 NETOJSYJGIAMFV-URXFXBBRSA-N 404.418 4.431 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(F)cc2)N1 587728943 GEXOVPPHINDMNB-JEOXALJRSA-N 410.258 4.370 0 1 HIAF COc1cccc(/C=C/[C@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587805058 DAHIJQOHWIHZKG-QWTYKDCCSA-N 420.278 4.124 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(C)o2)N[C@H](C)Cc2cc(Br)c(F)cc21 587828453 NJXHTCYLLXJIRJ-NSPYISDASA-N 410.283 4.221 0 1 HIAF CSc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587847530 UJJWTOGFAWGYEA-YYSFKGJASA-N 407.308 4.040 0 1 HIAF C[C@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901720 KPYKOSNSRQHUJA-XUZZJYLKSA-N 423.415 4.192 0 1 HIAF CCOC(=O)c1ccc(NC(=O)C[C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)cc1 963118238 ZCEOPAAADFQJSG-NTKDMRAZSA-N 410.489 4.267 0 1 HIAF O=C(O)c1cccc2c1CCN[C@@H]2c1c(-c2ccc(Cl)cc2)nc2n1CCS2 963130029 HXYZWUSJVQPIFA-SFHVURJKSA-N 411.914 4.243 0 1 HIAF COc1ccc([C@]2(CC(F)(F)F)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963231560 NDKCQRXOAIHWEL-FPOVZHCZSA-N 416.399 4.038 0 1 HIAF O=S(=O)(c1ccc(Cl)cc1)N1[C@H](c2cccc(F)c2)CCC[C@@H]1C1(O)CC1 1772578870 WISYZEUUQPAFAG-RBUKOAKNSA-N 409.910 4.289 0 1 HIAF O=C(CCN1CCOCC1)Nc1cc(-c2ccco2)c2oc(-c3ccco3)nc2c1 1857655197 DAUWIIFVZOQDLA-UHFFFAOYSA-N 407.426 4.009 0 1 HIAF CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NCCCc2ccccc2)cc1 2356804021 AAFRNMHBQQJNCI-MOUTVQLLSA-N 424.541 4.116 0 1 HIAF CC[C@@H](C)C=C(C)c1cc2cc3c(c(O)c2cn1)C(=O)[C@](O)(CC(C)=O)C(OC)=C3 2356871883 YMENRVORZPDFTB-OZAJXLCCSA-N 409.482 4.284 0 1 HIAF O=C1N[C@H](Cc2ccccc2)c2nc3ccccc3c(=O)n2-c2cc(Cl)ccc21 36389170 FXJBTPOXPLUTAQ-LJQANCHMSA-N 401.853 4.066 0 3 HIAF COc1ccc(OC)c(NC(=O)Nc2nc([C@H](N)CCc3ccccc3)cs2)c1 61904812 QCBQPERTMCCNMN-MRXNPFEDSA-N 412.515 4.437 0 3 HIAF CC(=O)c1cccc(NC(=O)[C@@H]2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)c1 61905535 YPUVTNZFCLOPJM-QFIPXVFZSA-N 400.434 4.096 0 3 HIAF CCCc1c(OCCCN2C(=O)CSC2=O)ccc2c(C(F)(F)F)noc12 3938179 YJVYOKPEHRXKEJ-UHFFFAOYSA-N 402.394 4.263 0 1 HIAF Cc1c(C(=O)NC2CCCC2)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 4826900 XVKVZJRZDGREIP-HUUCEWRRSA-N 418.559 4.080 0 1 HIAF COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc(OC)c(CC=C(C)C)c3O[C@H]1CO2 6186067 QADCCYSYLNTZHV-FCHUYYIVSA-N 410.466 4.341 0 1 HIAF biogenic Cc1cccc(-c2nc(Cc3cc4cc(C[C@@H]5OC(=O)NC5=O)ccc4o3)c(C)o2)c1 29330637 DTIIXLXYEWLPHL-NRFANRHFSA-N 416.433 4.473 0 1 HIAF CC1(C)c2[nH]c3cc(Cl)c(Cl)cc3c2C[C@@]23NC[C@]4(CCCN4C2=O)C[C@H]13 40847010 RHXYWMKZOPEVBY-CZAAIQMYSA-N 404.341 4.032 0 1 HIAF S=c1oc(-c2ccccc2COc2ccc(Cl)cc2)nn1CN1CCOCC1 64446449 OXUBNRWAYBKTLJ-UHFFFAOYSA-N 417.918 4.395 0 1 HIAF COc1ccc(C(=O)c2cnc(-c3ccccc3)n2S(=O)(=O)c2ccccc2)cc1 64512057 QAXZNJJFYNYCPU-UHFFFAOYSA-N 418.474 4.027 0 1 HIAF COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](C)C1 71318890 QZOZSUVAWOGZQQ-HNNXBMFYSA-N 410.905 4.090 0 1 HIAF OC1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)CC1 82165891 AGZVBUYQQHPMJT-UHFFFAOYSA-N 404.495 4.488 0 1 HIAF Cc1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2C[C@H]2CCCO2)o1 82187335 SZIYJCWBPKYPEV-GOSISDBHSA-N 421.476 4.367 0 1 HIAF Cc1nc(OC2CCN(Cc3cscn3)CC2)c2ccn(Cc3ccccc3)c2n1 84603998 JKJROAPYAHIAJY-UHFFFAOYSA-N 419.554 4.288 0 1 HIAF Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1cnc3ccccc3c1)c1ccccc12 84655244 PSPDPFZXWBXPNF-UHFFFAOYSA-N 423.520 4.180 0 1 HIAF Cc1noc(C)c1NS(=O)(=O)c1ccc(-c2cccc(C3CCNCC3)c2)cc1 117313136 VXVXFYLXGIOSJK-UHFFFAOYSA-N 411.527 4.226 0 1 HIAF COC(=O)Nc1nc2ccc(C(=O)c3ccccc3NC(=O)c3ccccc3)cc2[nH]1 223888169 DUTIZIJGZLSWNM-UHFFFAOYSA-N 414.421 4.225 0 1 HIAF CCOc1cc(/C=C\c2nc3ccc(OC)nc3[nH]2)cc(Br)c1OC 586977348 FORRCGDQDUVECK-ALCCZGGFSA-N 404.264 4.307 0 1 HIAF Cc1ncc(-c2nc3c(F)cnc(Br)c3[nH]2)c(C)c1Br 586979301 WIHKNEZTXKQELG-UHFFFAOYSA-N 400.049 4.301 0 1 HIAF CC[C@H]1CCCCN1C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988232 NQMHICGDHAGZLO-INIZCTEOSA-N 400.478 4.485 0 1 HIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(Cl)c(Cl)cnc4[nH]3)cc12 587037767 NCXLDMOQJLGKSC-ZETCQYMHSA-N 409.302 4.012 0 1 HIAF COc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2n1 587165697 JRRQPTPCVSZTEF-UHFFFAOYSA-N 414.444 4.443 0 1 HIAF CCCCOc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1Br 587249753 MEZVYCMNTZXENI-UHFFFAOYSA-N 418.291 4.376 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(Br)cc1Br)O2 587377252 LWTWNYQVLQARRA-ZDUSSCGKSA-N 412.081 4.204 0 1 HIAF COCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587378139 RZPOFXDNCMTGJJ-GOSISDBHSA-N 406.276 4.071 0 1 HIAF COc1ccc2c(c1)c([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)cn2-c1ncccn1 587392375 YZRWPDBFZZGPHM-NRFANRHFSA-N 400.438 4.026 0 1 HIAF C=CN1CCCC[C@H]([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587443099 KTGDVWKFODYVDF-WZOHSFFVSA-N 403.478 4.110 0 1 HIAF CNc1nc(N)c([C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536572 WQCDKLHJTOMWMR-XMMPIXPASA-N 419.550 4.863 0 1 HIAF C[C@H](CN1CCCCCC1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660668 IWBZCLKFKRINHT-QGZVFWFLSA-N 407.489 4.355 0 1 HIAF CC(C)Cn1cc([C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587720391 SXNAOUPTDKUFKA-ZMZPIMSZSA-N 416.285 4.484 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc(O)cc2)N1 587791707 GZMYPRYQDANBDD-DGIBIBHMSA-N 402.267 4.308 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(C(=O)O)ccc23)N1 587803987 QJVWPXOLVQWUDI-YYSFKGJASA-N 403.251 4.391 0 1 HIAF Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@H]3c3cncn3C)nc(Cl)c2C)s1 653808315 DWBQURIBJNXZJR-ZIAGYGMSSA-N 418.954 4.040 0 1 HIAF C[C@@]1(Cc2c[nH]c3cccc(F)c23)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962659450 FLKQGIXIWNETEB-RPBOFIJWSA-N 417.484 4.412 0 1 HIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H]([C@H]2CCN(Cc3ccccc3)C2)N1 962717983 YCDQONAFKQBXHC-GKCIPKSASA-N 422.422 4.007 0 1 HIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(CCOc3c(F)cccc32)N1 963170254 IUTLKADGDKEZSY-YJBOKZPZSA-N 415.770 4.123 0 1 HIAF Cc1c(C)c2ccc(OCC3CCN(Cc4cccc(CO)c4)CC3)cc2oc1=O 1857551590 AKHUHXLIAAFKEN-UHFFFAOYSA-N 407.510 4.193 0 1 HIAF Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)n1Cc1csc(N2CCCCC2)n1 1857574832 VRPYBVIJDWPDNR-UHFFFAOYSA-N 424.526 4.242 0 1 HIAF CCN(CC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br 13794704 HMHTWDJYLCCPRJ-UHFFFAOYSA-N 403.328 4.251 0 1 HIAF COc1ccc2c(c1OC)[C@@H](CC(=O)O)N(C)c1c-2ccc2cc3c(cc12)OCO3 15043410 OZWQDEDYZWNLMM-MRXNPFEDSA-N 407.422 4.218 0 1 HIAF endogenous,in-man CC(C)CCn1c(Cn2c(=O)n(CCCN(C)C)c3ccccc32)nc2ccccc21 28570638 JDNXUTFZZLBCAY-UHFFFAOYSA-N 419.573 4.199 0 1 HIAF CCN(CC)S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@@H]3C)cc2)cc1 43068891 CEXJLCPGRGREOU-IBGZPJMESA-N 400.588 4.411 0 1 HIAF Cn1c(-c2ccc(-c3cc(=O)[nH]cn3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 71296411 GLTVSVCSEZJLOH-UHFFFAOYSA-N 417.900 4.356 0 1 HIAF COc1ccc([C@@H](O)Cc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 88368232 VBFAYOJVHJXVMZ-ZDUSSCGKSA-N 406.191 4.340 0 1 HIAF CC(=O)c1cccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1 95557029 XZINARAMCYHJRY-UHFFFAOYSA-N 413.481 4.179 0 1 HIAF S=C1N[C@@H]2/C(=C/c3ccc(Cl)cc3)CNC[C@@H]2[C@@H](c2ccc(Cl)cc2)N1 103231026 PZPVJFQTDWDACU-FXKUDJAQSA-N 404.366 4.184 0 1 HIAF CC(C)(C)NC[C@H](O)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)c2ccccc12 169317596 DYUGFZMFNUWWGQ-ZDUSSCGKSA-N 407.436 4.377 0 1 HIAF CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCC2(CC1)CC2 216247691 KMUNZHYYGDCWNZ-UHFFFAOYSA-N 409.523 4.132 0 1 HIAF C[C@H]([C@@H]1C[C@H]1C(=O)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 299848581 SPBCVLSZAPVLJN-LGCMACQRSA-N 404.591 4.334 0 1 HIAF Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)c(-c2ncccn2)c1 473162420 AWFBWQSVKFITPK-MMOPVJDHSA-N 418.472 4.058 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccc(C)nc3[nH]1)C(=O)OC2 586916436 ZBWRIRXHGNVPNJ-LFYBBSHMSA-N 407.470 4.081 0 1 HIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(Br)c3[nH]2)cs1 587014678 WQYZMHVOKPBQEV-UHFFFAOYSA-N 409.309 4.474 0 1 HIAF N[C@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(Br)cc1F 587143168 YYJQBYYNSOSMOX-SNVBAGLBSA-N 414.181 4.029 0 1 HIAF CCOC(=O)CCCCCc1cc2c(O)nc(O)nc2nc1-c1cccc(Cl)c1 587368127 BUEMWIIXDXCTKJ-UHFFFAOYSA-N 415.877 4.422 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OCc3ccccc3)CC1(C)C)O2 587397332 ZVGYGKCBPWLINJ-DEOSSOPVSA-N 408.498 4.350 0 1 HIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(OC)c(OC)c1)CC2=O 587470395 UAURLFACKZWJGA-BYUVYSIJSA-N 411.498 4.298 0 1 HIAF CC(=O)N(C)c1cccc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587515006 ZOOWQZONKJPUTH-ZUSJUXBOSA-N 418.537 4.484 0 1 HIAF COc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573097 ROTQDRGFQXYNHR-XBKUESJASA-N 417.461 4.333 0 1 HIAF COC(=O)c1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591633 WOZSGIJHIGZZFJ-AUSIDOKSSA-N 415.401 4.363 0 1 HIAF COc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587598155 AUYQQOKDBCYQKM-QPPBQGQZSA-N 420.417 4.123 0 1 HIAF COC(=O)c1coc2c1[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587829022 PTMOWHBRVXABHU-GIGQVBGESA-N 408.267 4.082 0 1 HIAF COC(=O)c1ccc(-n2c(OC(C)C)ccc2OC(C)C)c(O[C@H]2CCOC2)c1 587924491 AOYGAYFDSNQKHB-KRWDZBQOSA-N 403.475 4.006 0 1 HIAF Cc1nc(C2CC2)sc1[C@@]1(C)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962623053 BEUWVLNBVUADRP-XIKOKIGWSA-N 412.433 4.090 0 1 HIAF COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c2ccccc12 962967511 NNMNQLMUOVZIKE-OXQOHEQNSA-N 403.812 4.468 0 1 HIAF Cc1ccccc1-c1nc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)co1 962968690 DHKYZOABCTUEQM-KBXCAEBGSA-N 404.800 4.270 0 1 HIAF COc1ccc([C@@]2(Cc3ccncc3)NCCc3cnc4c(OC)cccc4c32)cc1 963049963 XDJICDDHGPFMFG-AREMUKBSSA-N 411.505 4.279 0 1 HIAF C[C@H](C[C@H]1CCCCN1)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772599822 MXNQCNJVMWIZPS-JFIYKMOQSA-N 421.549 4.173 0 1 HIAF Clc1nc2ccc(Br)cc2cc1Cn1nnc(Cc2ccccc2)n1 1772606502 KTODMRROILOUFU-UHFFFAOYSA-N 414.694 4.276 0 1 HIAF C[C@H]1c2ncncc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 1772651928 DCCXCJODTMVNPD-MOPGFXCFSA-N 401.514 4.158 0 1 HIAF CC(C)c1cc(C(=O)NC[C@H]2CCN(CCc3ccc(Cl)c(Cl)c3)C2)on1 1857621340 UZAGNYVVEIGYQI-OAHLLOKOSA-N 410.345 4.399 0 1 HIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13C[C@@H](CC[C@H]21)[C@](C)(O)C3 2356473937 VNDROSDKNARHKI-RELJMNFISA-N 406.563 4.255 0 1 HIAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@H](COC(=O)CCC(=O)O)[C@]2(C)CCc1ccoc1 2356756825 SENGMOFNXGYJSV-MZSBUEKBSA-N 418.530 4.370 0 1 HIAF CC(C)c1sc(-n2cccc2)nc1C(=O)N(C)C[C@H]1CCCN2CCCC[C@H]12 2356761622 RUAWMKCZIHIMQT-QZTJIDSGSA-N 400.592 4.394 0 1 HIAF CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccco3)c2)cc1 3022670 VPDUVUILUGMYLN-UHFFFAOYSA-N 416.474 4.273 0 1 HIAF Cc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCN(C)C)c4c2)CCC3)n1 3820630 OSOLSDDKICGWFS-UHFFFAOYSA-N 400.530 4.168 0 1 HIAF C[C@@H]1CN(CCC(=O)NCc2ccc3ncccc3c2)Cc2cc(Cl)ccc2O1 11908892 LPNDUECTWQFPCT-MRXNPFEDSA-N 409.917 4.178 0 1 HIAF Cc1ccc2c(C3CCN(CCN4CCNC4=O)CC3)cn(-c3ccc(F)cc3)c2c1 13731156 HTLQTFJVKLZPQC-UHFFFAOYSA-N 420.532 4.283 0 1 HIAF CCCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 13836516 PPWSIZYGKXCUNH-IDKOAPAUSA-N 406.563 4.421 0 1 HIAF COc1c2ccoc2nc2c(OC)c(OC/C=C(\C)CC[C@H](O)C(C)(C)O)ccc12 15222595 PTGOUHPHIRZGKO-MDNBWPLSSA-N 415.486 4.235 0 1 HIAF CCCCCc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)C3)cc1 28010943 BJFZJWWGJUHPTL-FBRRREGBSA-N 403.486 4.261 0 1 HIAF Cc1csc(-c2ccc(C(=O)NCc3ccc(OC(C)(C)C(=O)O)cc3)cc2)n1 28978887 APLBIJUJEBHZMP-UHFFFAOYSA-N 410.495 4.291 0 1 HIAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3cccc4oc(-c5ccccc5)nc34)cc2)O1 29340882 AFFOLIDIQKHOFY-LJQANCHMSA-N 400.390 4.465 0 1 HIAF CC1(C)CS(=O)(=O)C2=C1Nc1cc3c(cc1[C@@H]2c1cccc(Cl)c1)OCO3 40938987 JWMAZBLMIJBXTN-KRWDZBQOSA-N 403.887 4.292 0 1 HIAF C[C@@H]1C(=O)[C@H](C)[C@@H](c2cccc(F)c2)N(C(=O)Cn2ccnc2)[C@@H]1c1cccc(F)c1 71296260 RPBVLVICPNKVAG-IAAUVJCUSA-N 423.463 4.327 0 1 HIAF CC[C@@H](C)NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1F 82152272 VVAGINSKMJAXRV-CQSZACIVSA-N 422.460 4.152 0 1 HIAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 82199174 SNMXXOWVJDTQSH-ONSHHFHSSA-N 414.590 4.353 0 1 HIAF C[C@H](C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)c1ccccc1 101637753 LJNHBXNRZZXHQP-KANFNMMFSA-N 404.539 4.125 0 1 HIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCN(S(C)(=O)=O)CC[C@@]43C)[C@@H]1CC=C2n1ccnc1 146066864 ZMVNEWSGDOHVHM-WAUHAFJUSA-N 417.619 4.248 0 1 HIAF O=[P@@](O)(Oc1ccccc1)C(O)(c1ccccc1)[P@@](=O)(O)Oc1ccccc1 169309273 CIYBXFSPSDOSMJ-UHFFFAOYSA-N 420.294 4.318 0 1 HIAF CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)ccn1 169709392 ZMYKRMOVAAJLKS-JTSKRJEESA-N 409.530 4.114 0 1 HIAF O=C(c1nnc(CCc2ncc[nH]2)o1)c1nc2ccc(-c3ccccc3)cc2s1 210817910 RUXMUNABOCCKNV-UHFFFAOYSA-N 401.451 4.086 0 1 HIAF O=C(Nc1ccc(Br)cc1)c1c(NO)cc(-c2cccs2)oc1=O 473158354 WDAZSPYSHUDMJF-UHFFFAOYSA-N 407.245 4.184 0 1 HIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 586938892 LASIMONXDLMXAU-NSHDSACASA-N 413.421 4.205 0 1 HIAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(O)nc(S)nc2[nH]1 586983739 IHJMGGILFNNILJ-LLVKDONJSA-N 407.337 4.482 0 1 HIAF CCOC(=O)c1nn(C)c2c1CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098981 XRBNUAXJLPKGDE-UHFFFAOYSA-N 423.472 4.430 0 1 HIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587114335 ZAITXFDYEKFFJP-MRXNPFEDSA-N 416.325 4.395 0 1 HIAF Cc1nn(C)cc1[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327148 FGLUBSQBYVPSCS-RXVVDRJESA-N 402.372 4.093 0 1 HIAF COc1ccc2c(n1)NCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351382 UHZWZXZSJODPIU-NZQKXSOJSA-N 406.413 4.005 0 1 HIAF COc1cc2c3c(c1)O[C@](c1cccc(O)c1)(c1cc(Cl)ccc1N)[C@@H](C2)C3=O 587417219 ASOYWWSBRSGYDG-FDDCHVKYSA-N 407.853 4.328 0 1 HIAF CC(C)(C)c1cccc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595830 OUSUAOUUWBCEQR-KBMIEXCESA-N 415.445 4.499 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H]1CCCNC1 587595884 PJMJLXBTDVDMSE-MOADCYBESA-N 401.462 4.249 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccc(Cl)nn23)N1 587705321 MUJZBFYIICCYMG-HUTHGQBESA-N 409.690 4.082 0 1 HIAF CCn1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587708918 FZQOTSFIOKPBIU-RFAUZJTJSA-N 406.221 4.145 0 1 HIAF COC(=O)[C@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587804806 FTBSEEPIKACLBR-ZUOKHONESA-N 406.295 4.124 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2Cc3ccccc3C(=O)O2)N1 587831660 IORMTBSSZPEAQI-RTXGADQUSA-N 404.279 4.119 0 1 HIAF COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2C)c2cc(OC)ccc2-n2c(C)nnc21 653699442 MKZWYAWFICEQDA-SFHVURJKSA-N 424.888 4.001 0 1 HIAF Nc1ccc(-c2c[nH]c3cc(-c4cncc(O[C@H]5CC[C@H](N)CC5)n4)ccc23)c(F)n1 1772574053 YKQNBXPMZGTHNV-SHTZXODSSA-N 418.476 4.057 0 1 HIAF CCCSc1nc(Sc2ncccn2)c2[nH]c(=Nc3ccccn3)sc2n1 1857744995 KDYPZEWLIYEBAC-UHFFFAOYSA-N 413.557 4.090 0 1 HIAF COc1ccc2nc(C)cc(OCC(=O)Nc3cccc(Br)c3)c2c1 1857761761 VFNDOZCTGBYVGG-UHFFFAOYSA-N 401.260 4.332 0 1 HIAF CC(C)c1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cc1 61908773 DSXOENSQIPRDJL-VWLOTQADSA-N 415.493 4.303 0 3 HIAF CCCCCC(=O)N1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1 61923891 UPOQGJRHJOGQFT-HKBOAZHASA-N 416.953 4.265 0 3 HIAF CCc1nc2ccc(C(=O)NCC3CCCCC3)cn2c1N(C)Cc1nccs1 61926503 AVQOINKICUJJJD-UHFFFAOYSA-N 411.575 4.300 0 3 HIAF CC[C@@H](C)C(=O)O[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 9212685 PCZOHLXUXFIOCF-WFMZPPCHSA-N 404.547 4.196 0 1 HIAF Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 40392001 UORRYEIKTKCPBC-UHFFFAOYSA-N 407.489 4.229 0 1 HIAF COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 40918122 HVJOIRMQZXEGPW-UHFFFAOYSA-N 403.469 4.320 0 1 HIAF CCN(CC)C(=O)N1CCC(N[C@@H](c2ccc(OC(C)C)cc2)c2cccnc2)CC1 72186125 XFHXGSJSNDGPJH-DEOSSOPVSA-N 424.589 4.474 0 1 HIAF CC(C)(C)OC(=O)N1CCC(CCCCNc2ccc3c(c2)CCS3(=O)=O)CC1 84690791 UZVGRPOORJEDHS-UHFFFAOYSA-N 422.591 4.246 0 1 HIAF O=C(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21 95877458 RFXUEAARQGUESN-IEXUWNMDSA-N 402.469 4.483 0 1 HIAF COc1cc2nc(C3CC3)nc(N3CCN(Cc4ccc(C)cc4)CC3)c2cc1OC 96284493 NTOIAIPOJUIVOK-UHFFFAOYSA-N 418.541 4.155 0 1 HIAF CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)OC(C)C)c2cn1 147467197 VAKGHLWZPGERFT-UHFFFAOYSA-N 407.474 4.073 0 1 HIAF COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C 169351440 FXHWDUICKDQMSQ-UHFFFAOYSA-N 416.470 4.484 0 1 HIAF O[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(Cc2cccs2)C[C@H]1n1cc(C2CC2)nn1 254104183 YZURTNKNJIUDGQ-PWRODBHTSA-N 414.962 4.420 0 1 HIAF COc1ccc(CN2C[C@H]3CCC[C@@H](N4CCCC4)[C@H]2CN3Cc2ccccc2)cc1 261157513 QGHZKNVBZNJZGF-ZRJLEYOISA-N 419.613 4.399 0 1 HIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(OC)nc3[nH]2)c1 587050870 RRUJJLGABPQXIG-HJWRWDBZSA-N 413.865 4.010 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(CO)cc4[nH]3)cc2)cc1F 587147068 DOLWVIOFOHXZHP-UHFFFAOYSA-N 403.457 4.202 0 1 HIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(Br)c(C)cc21 587457822 NTPROJZMWLVNCL-HXUWFJFHSA-N 416.271 4.228 0 1 HIAF Cn1ccnc1[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571358 NFRUBYZERQLAKC-YKSBVNFPSA-N 416.408 4.170 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@@H]2Cn2cncn2)N1 587758379 IPRMCPDKOCBFCR-ZXYWRSMDSA-N 407.331 4.190 0 1 HIAF COC(=O)c1ccc(OC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587805493 GDWOSXDDGGWGSG-YPMLDQLKSA-N 408.267 4.007 0 1 HIAF Cc1cc2c(cc1C)[C@]1(CC(=O)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587839648 UFLYVVKMTMZSHH-YUNKPMOVSA-N 404.279 4.292 0 1 HIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@H]3c3ccnn3-c3ccccn3)C2)cc1 962648396 XPRCVMWFFRHECI-ATIYNZHBSA-N 407.521 4.104 0 1 HIAF COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(Cl)cc3)n2)cc1 1772586793 GPQPIISZHANVSM-UHFFFAOYSA-N 405.845 4.244 0 1 HIAF COc1cccc(-n2nccc2-c2ccc3nnn(-c4ccc5c[nH]nc5c4)c3c2)c1 1857596710 AHKDJIUXNAKVSI-UHFFFAOYSA-N 407.437 4.158 0 1 HIAF OCCCCn1c(Cn2c(-c3cscn3)nc3ccccc32)nc2ccccc21 1857635236 JONJSCAZZSVTID-UHFFFAOYSA-N 403.511 4.330 0 1 HIAF COc1cccc(-c2cnc3c(NC=O)cc(-c4ccc(OC)cc4OC)cn23)c1 61896137 SDIPCXFAOKSWQS-UHFFFAOYSA-N 403.438 4.262 0 3 HIAF CC(C)(C)OC(=O)N[C@@H](CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O 1645484 JEFUTBWRCLLDDI-SFHVURJKSA-N 415.511 4.129 0 1 HIAF O=C(O)CCC(=O)Nc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 8672197 ICYWEMDJYCTFIA-UHFFFAOYSA-N 422.312 4.123 0 1 HIAF O=C(N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ccccc1Cl 13601573 NHJFUOCXYVJTDE-HXUWFJFHSA-N 407.832 4.025 0 1 HIAF O=c1cc(N2CCOCC2)oc2cc(OCCOc3ccc4ccccc4c3)ccc12 13677043 SRDTZPIPIKOMJE-UHFFFAOYSA-N 417.461 4.241 0 1 HIAF COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1 26377707 DOBMUZRIJOLRKQ-UHFFFAOYSA-N 412.917 4.175 0 1 HIAF O=C(N1CCc2cc(O)ccc2[C@H]1c1ccc(Br)cc1)C(F)(F)F 26655795 DJRKSGRNONIHEI-OAHLLOKOSA-N 400.194 4.191 0 1 HIAF Cc1ccc(NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(C)CC2)cc1 28523508 NTSMSQNSDHTAOW-FQEVSTJZSA-N 420.479 4.124 0 1 HIAF Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCCCCC1 29038070 KYFRIZCSHPMESO-CTNGQTDRSA-N 418.603 4.212 0 1 HIAF CC(C)C(=O)SCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 36472578 LZJZURNPUBZJAF-KRWDZBQOSA-N 414.612 4.415 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H](O)O[C@@H](C3=CC(=O)O[C@H]3O)C[C@H]21 39033633 KBXIJAUSPXZGMP-BBFMFJFNSA-N 418.574 4.170 0 1 HIAF CC(C)Oc1ccc2c(c1)C[C@H](c1nc3ccc(-c4ccnc(N)n4)cc3[nH]1)CO2 40861948 GSVBHFQONNWYDN-INIZCTEOSA-N 401.470 4.108 0 1 HIAF Cn1c(Cc2csc3nc(-c4ccc(Br)cc4)cn23)n[nH]c1=S 45288967 DXVMTOWETCTZLG-UHFFFAOYSA-N 406.334 4.207 0 1 HIAF NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O 63540088 PDBPUXLUVDSLML-UHFFFAOYSA-N 414.465 4.209 0 1 HIAF O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCCCC1 73167496 DUTMVABYYXGZJO-UHFFFAOYSA-N 408.593 4.039 0 1 HIAF COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3C(=O)c3ccccc3)n2)cc1 84689737 CBTUUEQSTWLERG-HXUWFJFHSA-N 421.522 4.452 0 1 HIAF CCO[C@H](Cc1ccc(OC(=O)Cc2nc(-c3ccccc3)oc2C)c(C)c1)C(=O)O 114957350 GKMACXXUYRLPAO-OAQYLSRUSA-N 423.465 4.139 0 1 HIAF O=[S@@]1N=C(NCCCCc2ccccc2)C(Nc2cc(Cl)cc(Cl)c2)=N1 253706400 RTYWEAXTNBJPTO-AREMUKBSSA-N 409.342 4.407 0 1 HIAF CCOC(=O)CCCn1c(=O)oc2cc3ncnc(N[C@H](C)c4ccccc4)c3cc21 473121715 QYFGAOCGWCMURE-OAHLLOKOSA-N 420.469 4.054 0 1 HIAF CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1 473171799 VSSHUDIXCXMKSI-UHFFFAOYSA-N 402.535 4.380 0 1 HIAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C)c2[nH]1 586934628 CLHAALGUFHQCRQ-KRWDZBQOSA-N 403.573 4.261 0 1 HIAF Cc1cc(C)c2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c1 586951166 JUXMYYRHUYIAEM-UHFFFAOYSA-N 420.332 4.050 0 1 HIAF COc1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 587032912 VRQAKJOPOSOTTL-QVIVLVACSA-N 401.517 4.093 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(N)c(N)cc2[nH]1)c1cccc(Cl)c1 587072339 USSWSAWVRYAIOM-HNNXBMFYSA-N 401.898 4.189 0 1 HIAF CN(C)CCOc1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1 587202946 JAIMCNDWBLFVMM-UHFFFAOYSA-N 423.517 4.020 0 1 HIAF C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342472 DXGKEFBKHFQCSM-DPOVEGGPSA-N 413.445 4.268 0 1 HIAF COCCOCCCc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1F 587385482 OHLQWPMQZWZJIE-QHCPKHFHSA-N 401.478 4.193 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4c(C)noc4C)c(OC)c1)[C@@H](C2)C3=O 587435663 ICVDHWABCSWUHI-BXKMTCNYSA-N 421.449 4.376 0 1 HIAF O=Cc1c(F)c(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1F 587555396 KUECIGHLPNOVOH-SPLOXXLWSA-N 418.298 4.464 0 1 HIAF Cc1cccc(OCc2nc3c(I)cnc(Cl)c3[nH]2)c1C 587564760 XNSKKOKDJUYECY-UHFFFAOYSA-N 413.646 4.412 0 1 HIAF COC(=O)[C@H](C)[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591418 GWRXKGRYOQIKTC-LMNXFLSBSA-N 418.445 4.144 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOC[C@H]2OCc1ccccc1 587617051 OJAOUBUBZCDZCC-SLSDLSHTSA-N 418.445 4.098 0 1 HIAF COc1ccc2[nH]c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2c1 587661597 RWPUFUFMOMPEMC-UHFFFAOYSA-N 413.408 4.381 0 1 HIAF COc1cccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587740798 FMZAPDAAIKSCFG-FKIZINRSSA-N 421.310 4.375 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CN3CCOCC3)c2)N1 587775762 UUJSLNGDBXGLNQ-SPLOXXLWSA-N 419.338 4.044 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ncccn3)s2)N1 587853952 PBFTVORXYPNTKE-VFZGTOFNSA-N 405.296 4.125 0 1 HIAF COc1ccc(C2=C(N)c3ccccc3[C@@]23NCCc2cc(C)c(F)cc23)cc1OC 962147320 OTQNBWAEIMTNDU-SANMLTNESA-N 416.496 4.381 0 1 HIAF COc1cccc([C@]2(c3cccc(C)n3)N[C@H](C)Cc3c(OC)ccc(OC)c32)c1 963634602 KWCQVWHKTWXESY-CRICUBBOSA-N 404.510 4.242 0 1 HIAF COc1ccccc1OCCNC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1 1857567261 IPGPPSLCUMESRR-QHCPKHFHSA-N 419.521 4.370 0 1 HIAF CS(=O)(=O)NC(=O)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 1857594757 AZNSLHONMQLAEM-UHFFFAOYSA-N 423.519 4.396 0 1 HIAF COC(=O)c1cccc2c1C(O)=C1c3[nH]c4ccccc4c3CCN1[C@@H]2CC(C)=O 2356866638 VNZIETRQKRCGJR-LJQANCHMSA-N 402.450 4.230 0 1 HIAF COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)c(OC)c1 4936106 BGLCRLPUMCFXGU-UHFFFAOYSA-N 416.543 4.169 0 3 HIAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCCC3)n2)cc1 1489238 BURSRWZPRFNCOA-UHFFFAOYSA-N 400.422 4.277 0 1 HIAF COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1c(F)cccc1Cl 2484877 ROUNYHYVRBKNMA-UHFFFAOYSA-N 404.825 4.186 0 1 HIAF COC1=C(Cl)C(=O)[C@]2(Oc3cc(OC)c(Cl)c(C)c3C2=O)C(C)=C1Cl 3978950 DDXASNOQYJDVLY-KRWDZBQOSA-N 403.645 4.163 0 1 HIAF biogenic Cc1nc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)ccc1Br 8697199 QBKBVEQZXPNGQC-UHFFFAOYSA-N 420.332 4.173 0 1 HIAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NCc2ccccc2)C1 13677478 LAZPRLXGVMZIOA-FPOVZHCZSA-N 402.991 4.425 0 1 HIAF CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C(=O)[C@@H](O)[C@@]1(C)[C@@H]3C(=O)C[C@@H](c4ccoc4)[C@]3(C)CC[C@H]21 38968611 TXPREAFLNSTBRC-MXCZIWSJSA-N 424.537 4.106 0 1 HIAF CCc1c(C(=O)C(N)=O)c2c(OC)cccn2c1Cc1ccccc1-c1ccccc1 40402060 BZPQHOAILMRKES-UHFFFAOYSA-N 412.489 4.436 0 1 HIAF CC1(C)C[C@@]2(CN(Cc3ccc(Br)cc3)C(=O)CO2)c2ccccc2O1 40848182 IWOMHISQLWDWBJ-OAQYLSRUSA-N 416.315 4.265 0 1 HIAF COc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)nn2-c2ccccc2F)cc1OC 43121568 UXQGZKFWGFDRHF-UHFFFAOYSA-N 417.440 4.462 0 1 HIAF CN(CCc1ccccc1)C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 73196725 MVOCZHVZPVWESH-DEOSSOPVSA-N 417.549 4.416 0 1 HIAF O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccc(CO)cc4)c3)cccc12 101172091 RZBZSNZSIFOGOL-UHFFFAOYSA-N 413.473 4.456 0 1 HIAF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCNc1ccc(Cl)cc1 103208682 VXOCQGSGLITGJP-UHFFFAOYSA-N 405.885 4.248 0 1 HIAF CC(C)CN(Cc1ccc(N[C@H]2CCCOC2)cc1)S(=O)(=O)Cc1ccccc1 147292975 NLEGBEWTCQCGON-QHCPKHFHSA-N 416.587 4.266 0 1 HIAF O=C(N[C@H]1CCc2ccccc21)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 167448093 QSACZFYTYHIXDQ-NRFANRHFSA-N 420.476 4.432 0 1 HIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-c2ccccn2)n1 167860126 JEVWWXFGQZFWAN-HXUWFJFHSA-N 403.482 4.415 0 1 HIAF O=C(Nc1cccc([C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1)Nc1ccccn1 169011674 SLROIDVEJFGPDR-QGZVFWFLSA-N 413.485 4.381 0 1 HIAF CC1=N[C@@]2(C[C@@]3(CCCOC3)Oc3ccc(-c4ccc(F)c(Cl)c4)cc32)N=C1N 169708635 AMESWUXBYLEHJV-YADHBBJMSA-N 413.880 4.462 0 1 HIAF Cc1ccc(Cl)c(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1 220173628 VKMKKIYMKYLZLL-UHFFFAOYSA-N 421.931 4.436 0 1 HIAF C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCCC[C@H]3c3cccnc3)C(=O)O[C@@H]1C2 299886671 XPCVMHGRMJXVRE-VTAGXRHKSA-N 410.558 4.136 0 1 HIAF CCOC(=O)CCCn1c(=O)oc2cc3ncnc(N[C@@H](C)c4ccccc4)c3cc21 473121714 QYFGAOCGWCMURE-HNNXBMFYSA-N 420.469 4.054 0 1 HIAF COC(=O)c1cc(Br)c2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2c1 586904344 SLUGVINYDZAKID-UHFFFAOYSA-N 403.232 4.199 0 1 HIAF COc1ccc(S(=O)(=O)Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 586920486 LHDWPVVGEAUJOS-UHFFFAOYSA-N 420.796 4.097 0 1 HIAF CCOC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(F)(F)F 586987145 UAQAFXVJZPGSPK-SFHVURJKSA-N 401.340 4.361 0 1 HIAF Ic1cnc2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587027755 JJBFMPMBSNEGMR-UHFFFAOYSA-N 404.236 4.353 0 1 HIAF Cc1cc(-c2nc3nccc(N)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061578 ODTOCBVUAPZFOV-UHFFFAOYSA-N 403.877 4.270 0 1 HIAF O=C(N[C@H](c1ccccc1)c1nc2cncc(Br)c2[nH]1)c1ccccc1 587217194 BIPGQRVQBKGICC-QGZVFWFLSA-N 407.271 4.240 0 1 HIAF O=C(c1ccccc1OC(F)(F)F)c1c(CO)oc2cc(Br)cnc12 587277012 WJKRCXKZNUQIDW-UHFFFAOYSA-N 416.149 4.212 0 1 HIAF CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(Cl)c21 587326908 DLGNAJDSNSGZCW-CVDCTZTESA-N 423.827 4.416 0 1 HIAF O=C1c2ccc(O)cc2O[C@@](Cc2cccc(F)c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587332122 IZHQOISNEDXCEC-NFBKMPQASA-N 410.372 4.095 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CN4CCC(C)CC4)c1)[C@@H](C2)C3=O 587435266 DYYCZYCQHXCCHY-NBGIEHNGSA-N 407.510 4.424 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1cn3ccc(Br)cc3n1)CC2=O 587461811 ZGTOKXGUWSQBTQ-KRWDZBQOSA-N 401.260 4.461 0 1 HIAF C[C@@]1(CC(=O)Nc2cccnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550372 AAQSXPDZIRFJGY-AVRDEDQJSA-N 424.840 4.190 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3cccnc3)CC2)N1 587764986 AWRMFHFLJANRLZ-CQSZACIVSA-N 404.327 4.009 0 1 HIAF COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1O 587805671 HDBRGKIBBAIJLD-GIGQVBGESA-N 410.283 4.109 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccccc1O 587864735 OGXQCENUOXNLSU-UHFFFAOYSA-N 406.360 4.392 0 1 HIAF O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccn1)c1ccc(F)cc1 653884790 ZITOWKNWFUMQIP-UHFFFAOYSA-N 419.481 4.148 0 1 HIAF C[C@@]1(c2ccccc2OC(F)(F)F)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962964098 JIEVMPWKPJDKKZ-SJCJKPOMSA-N 421.749 4.379 0 1 HIAF CN1C(=O)C[C@H]2CN[C@@]3(c4ccccc4COc4cc(F)ccc43)c3cccc1c32 963025072 JJLSGFVCUUKUKS-IVCQMTBJSA-N 400.453 4.063 0 1 HIAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c(Cl)n1 963189545 WXLXYMRQBHEQGP-JSGCOSHPSA-N 421.202 4.104 0 1 HIAF C[C@@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963226195 KQQBQKBOGCAPFZ-FBOFCAQXSA-N 415.537 4.275 0 1 HIAF CCCC(/C=C1\C[C@@](CO)(COC(=O)c2cn(C)c3ccccc23)OC1=O)CCC 1772631872 GNIYOZALILMSSH-IRUWDQCASA-N 413.514 4.156 0 1 HIAF Cc1cccc(O)c1C(=O)C[C@@H]1CC[C@@H]2[C@H]3C(=O)c4c(C)cccc4O[C@@H]3CCN12 1857542485 KNJADUGVIYKDFZ-LKMOQRQYSA-N 405.494 4.079 0 1 HIAF Cc1nc(CCN2CCCN(Cc3cccc(F)c3)CC2)cc(-c2cccs2)n1 1857555903 PZYGNGKJNICNTP-UHFFFAOYSA-N 410.562 4.403 0 1 HIAF C[C@@](O)(COc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 1857583720 JJHCNHVCJLEFJQ-MRXNPFEDSA-N 423.309 4.373 0 1 HIAF COc1ccc(NC(=O)Nc2ccc3nc(-c4ccccc4OC)nn3c2)cc1OC 1857616812 NXJKYXYOHIFRSX-UHFFFAOYSA-N 419.441 4.066 0 1 HIAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3cnccc3s2)cc1 1857628397 VDUYIWYYPNLOON-UHFFFAOYSA-N 402.479 4.061 0 1 HIAF O=c1oc(-c2ccc(O)cc2)cc(Cc2ccc(O)cc2)c1Cc1ccc(O)cc1O 1911575401 ALOKGBOHBCZWBY-UHFFFAOYSA-N 416.429 4.311 0 1 HIAF C[C@@H]1c2nc(NC(=O)c3ccncc3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356450464 WAFHSEYUNIHITI-BLHXGTNJSA-N 411.527 4.044 0 1 HIAF Cn1c(=O)c2cc(NC(=O)Cc3ccccc3F)ccc2n1C/C=C/c1ccccc1 61904840 AZPYXATVPOYJNC-JXMROGBWSA-N 415.468 4.374 0 3 HIAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccco3)CC2)cc1 13444609 GZGINHDPANJTJY-UHFFFAOYSA-N 412.530 4.270 0 1 HIAF CC(C)Oc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCCCC3)cc2)CC1 13600954 SYNTUEMBUHFZEZ-UHFFFAOYSA-N 421.585 4.422 0 1 HIAF Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)Nc1ccccc1 29037979 PWIBKEWBERRHGJ-AZUAARDMSA-N 412.555 4.448 0 1 HIAF CCc1cc(-c2ccc3c(c2)C[C@H](CC(=O)NCc2cccnc2)C3=O)ccc1O 29123413 LAQWQHUNZZCYEC-OAQYLSRUSA-N 400.478 4.078 0 1 HIAF CC(C)n1nc(C(=O)NCCN2CCC(Cc3ccccc3)CC2)c2ccccc21 29571495 OSLIFIRHTDZIFD-UHFFFAOYSA-N 404.558 4.302 0 1 HIAF c1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c(NCc2ccns2)c1 33829715 XPZBNWXQLKVMIM-UHFFFAOYSA-N 407.455 4.320 0 1 HIAF COc1cc(OC)cc(C(=O)N[C@@H]2CCN([C@H](C)c3ccc4ccccc4c3)C2)c1 36351714 LNMOZVGTRGFUFP-VGOFRKELSA-N 404.510 4.422 0 1 HIAF CC[C@H](CO)Nc1nc(Nc2ccc(-c3cccnc3)cc2)c2ncn(C(C)C)c2n1 40914360 OWWGWPXWKGEHDM-GOSISDBHSA-N 417.517 4.396 0 1 HIAF COCCC(=O)Nc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1 45253935 XNVUSGWCJPEGQX-UHFFFAOYSA-N 413.481 4.082 0 1 HIAF Cc1cc(OCCCN2C[C@H]3CCN(C)[C@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 58626675 FGSBLNXBYOAEOJ-JPYJTQIMSA-N 422.548 4.391 0 1 HIAF Cc1csc(-c2nc(-c3ccc(C(N)=O)cc3)[nH]c2-c2ccc3c(c2)OCO3)n1 73295200 ZTJGCEQYYQZYKQ-UHFFFAOYSA-N 404.451 4.003 0 1 HIAF CC(C)NC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 82192126 DFQWZZGWOAFAHC-HNNXBMFYSA-N 423.464 4.100 0 1 HIAF O=C(NCCCNc1nc(Nc2cnn(C3CCCC3)c2)ncc1C1CC1)C1CCC1 95563423 BGULRIZNMKERDJ-UHFFFAOYSA-N 423.565 4.128 0 1 HIAF CCOc1ccc2c(c1OC)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2 95590519 STZKVRHBTLCNCX-UHFFFAOYSA-N 418.497 4.007 0 1 HIAF O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)cc1 96271892 MNBKFBNIOCSONB-UHFFFAOYSA-N 422.618 4.159 0 1 HIAF CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 102330649 KNAOHFQHRNIUOB-OAQYLSRUSA-N 403.438 4.257 0 1 HIAF CCOc1ccc(/C=C/C(O)=C2\C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1OC 102603053 KVAQMYGBORMBRI-ILYCSRTRSA-N 407.466 4.332 0 1 HIAF CC(C)O[C@@H](Cc1ccc(OCCc2noc(C3CCCCC3)n2)cc1)C(=O)O 103292087 YNVVLCIEAUHFQP-IBGZPJMESA-N 402.491 4.160 0 1 HIAF COC(=O)C1=C[C@H]([C@@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2OCCC[C@@H]12 169355935 COSCUZRDNFVXDW-BKLVVLCVSA-N 409.320 4.297 0 1 HIAF COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 169695371 JCYYMPXQRKTVFQ-FCHUYYIVSA-N 417.461 4.454 0 1 HIAF CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1ccccc1OC)C[C@@H](C)CC3 206149630 DCIFFTAOKNOUHO-RBZFPXEDSA-N 407.514 4.192 0 1 HIAF COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 261153286 PILAMBNAJPBLFA-RWXRFDSASA-N 416.481 4.408 0 1 HIAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3c(C)ccnc3[nH]1)C(=O)OC2 586914837 CKAQWHTVIDZZQE-XGICHPGQSA-N 407.470 4.081 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 586919108 XIGILDVFESUBEZ-HNNXBMFYSA-N 403.232 4.015 0 1 HIAF NC(=O)c1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 587000285 KPYAUWCRLKMNCW-UHFFFAOYSA-N 422.286 4.098 0 1 HIAF CCO[C@H](C)c1nc(C)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)s1 587013941 DDSRAEYYYQACKO-GFCCVEGCSA-N 410.503 4.152 0 1 HIAF FC(F)(c1ccccn1)c1nc2c(Br)cnc(Br)c2[nH]1 587089547 UQWGVKAVUDNSQY-UHFFFAOYSA-N 404.012 4.018 0 1 HIAF COC(=O)c1cc2[nH]c(-c3ccc(N(C)C)cn3)nc2c(F)c1Nc1ccccc1 587194791 OJSPWIPSPCIUDI-UHFFFAOYSA-N 405.433 4.360 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H](C(=O)O)c3ccccc32)[C@@H]1c1ccc(F)cc1 587349400 FWJKXXKVYHWCTA-JLGINSKQSA-N 404.393 4.358 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)c4ccccc4)cc1)[C@@H](C2)C3=O 587447569 CLEWGYBLWOUKMZ-WMZHIEFXSA-N 406.459 4.017 0 1 HIAF C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475578 PSMHVOLAWJXPEF-CPJSRVTESA-N 421.493 4.206 0 1 HIAF C[C@@]1(c2cc(F)nc(N3CCCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569845 MOJJOMDWHMLRBC-QPPBQGQZSA-N 420.440 4.404 0 1 HIAF COc1ccc2c(c1)OCCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613368 XPGQHRAUILCTRT-QPPBQGQZSA-N 404.418 4.431 0 1 HIAF CCOC(=O)c1cnc(Cl)cc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656968 OFNHNHHLPUIVQK-UHFFFAOYSA-N 423.831 4.417 0 1 HIAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2cc(F)c(Cl)cc2F)N1 962644130 TWJVVHPNNSTKAD-DOMZBBRYSA-N 407.722 4.205 0 1 HIAF COc1ccc2c(c1OC)[C@]1(CCCN(C(=O)OC(C)(C)C)[C@@H]1C)N(C)[C@@H](C)C2 962645455 ZRYGHCHRXFOCTM-NXHTTZLHSA-N 404.551 4.195 0 1 HIAF CC1=C(Oc2ccccc2)[C@]2(NCCc3nc4ccccn4c32)c2ccc(O)cc2O1 962979919 AZSWPMLRDCXNMG-VWLOTQADSA-N 411.461 4.132 0 1 HIAF CC[C@@]1(c2ccc(OCC(=O)O)c(OC)c2)NCCc2c(Cl)cc(Cl)cc21 963115259 VKFUZBRLGWRUNQ-FQEVSTJZSA-N 410.297 4.265 0 1 HIAF Cc1nc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)s1 963183189 SNLXDJUNDWPUPZ-MEDUHNTESA-N 404.841 4.295 0 1 HIAF C/C=C/C(=O)O[C@H]1C[C@H]2[C@H](C(=O)OC)[C@H](Cc3c1[nH]c1ccccc31)N(C)C[C@@H]2CC 1772601481 LZRICBBRQWJAND-CVTUKNLQSA-N 424.541 4.020 0 1 HIAF Cn1ccc2cc(-c3cn4c(-c5ccc(C(=O)NC6CC6)cc5)cnc4cn3)ccc21 1857549894 NPYBQNQWZADPCY-UHFFFAOYSA-N 407.477 4.447 0 1 HIAF CC(C)c1nc(-c2nnc(C3CCN(CC4CCOCC4)CC3)o2)n2ccccc12 1857647693 AAJSRQUZUOYDDU-UHFFFAOYSA-N 409.534 4.114 0 1 HIAF C[C@@H]1CC[C@]2(C)C(COC(=O)CC(=O)O)=CCC[C@@H]2[C@]1(C)CCC1=CCOC1=O 2356677053 FNONBYOWFSCKDW-ZIFPLYCDSA-N 404.503 4.047 0 1 HIAF COc1ccc(-c2nc3c4ccccc4ccn3c2CN2CCOCC2)cc1OC 2472544 JVCMUYZFYCMKIH-UHFFFAOYSA-N 403.482 4.004 0 3 HIAF C[C@@]1(C(=O)NCc2ccc(Cl)cc2)CCN1C(=O)Cc1cccc2ccccc12 61895629 XRLRERMCDCXHEV-DEOSSOPVSA-N 406.913 4.343 0 3 HIAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccc7c(c6)OCO7)cccc5c4CCN3C[C@@H]12 203468688 YLSWLCUTHVUNLW-CXTHYWKRSA-N 417.509 4.117 0 3 HIAF COc1cccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccc(F)cc2)c1 2724206 WFGLTZQLXVTHHL-QHCPKHFHSA-N 404.441 4.327 0 1 HIAF Cc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1 3814719 OBKZBCUTXVLFQO-UHFFFAOYSA-N 415.824 4.167 0 1 HIAF CCCC1(CCC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 26489631 YJIZDBHOJXZBQK-QFIPXVFZSA-N 424.497 4.428 0 1 HIAF O=C(OCc1ccccc1)N1CC[C@@]1(Cc1ccccc1)C(=O)NC1CCCCC1 28475218 NSQRGKHDURGKNQ-RUZDIDTESA-N 406.526 4.459 0 1 HIAF O=C(c1cccc2cc(O)ccc12)c1cn(CCN2CCOCC2)c2ccccc12 31905347 SKGUHEIQVWXDGI-UHFFFAOYSA-N 400.478 4.063 0 1 HIAF CC1(C)c2[nH]c3ccc(Cl)c(Cl)c3c2C[C@@]23CN4CCC[C@]4(C[C@H]12)C(=O)N3 40847012 PNMFVJGOHRBGLI-IFZYUDKTSA-N 404.341 4.032 0 1 HIAF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2ccccc2)n1 82069056 UKFPZSIWWUYQMK-FQEVSTJZSA-N 419.550 4.164 0 1 HIAF NCc1ccc(CNC(=O)Cc2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)cc1 95580784 IOCGHYIPZDZBAO-UHFFFAOYSA-N 420.381 4.367 0 1 HIAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]3C2)n1 116823035 LZTSTMNHWRCGAK-QZTJIDSGSA-N 404.539 4.030 0 1 HIAF O=C(Nc1ccc(C(=O)N2CCC[C@H]2C(F)(F)F)cc1)N1Cc2ccccc2C1 166288487 BLQCGTCKIMJWAF-SFHVURJKSA-N 403.404 4.401 0 1 HIAF CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(CCC(=O)O)c3)n2)s1 166614487 KWCOZWQHQYQGDU-UHFFFAOYSA-N 402.501 4.294 0 1 HIAF COc1cncc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1 167554425 VJUIXCOOQUYPSQ-FQEVSTJZSA-N 403.482 4.415 0 1 HIAF CC(=O)OC[C@@]1(CCc2ccoc2)C2=C(C[C@@H](OC(C)=O)[C@H]1C)C(C)(C)[C@H](O)CC2 238782082 KDRXONPTYSVBIZ-IPQOYABUSA-N 418.530 4.211 0 1 HIAF COc1ccc(Br)cc1Cc1sc(=O)n(Cc2ccc(C)cc2)c1O 473132738 VOMKPPBQYVKYOE-UHFFFAOYSA-N 420.328 4.334 0 1 HIAF COc1cc(OC)c2[nH]c(CSc3nncn3-c3ccc(C)c(Cl)c3)nc2c1 586968351 QPORQQXPMSHYMO-UHFFFAOYSA-N 415.906 4.415 0 1 HIAF Cc1ncsc1CCc1nc2c(Br)cnc(Br)c2[nH]1 587026408 DGXASZVHKKRUJQ-UHFFFAOYSA-N 402.115 4.033 0 1 HIAF Clc1ccc(-c2nnc(CCc3nc4ccnc(Br)c4[nH]3)o2)cc1 587075322 BKHPNGZKZLSEAF-UHFFFAOYSA-N 404.655 4.209 0 1 HIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587113997 PZBDXNDYUYJTNS-QMMMGPOBSA-N 409.721 4.238 0 1 HIAF Oc1nc(O)c2ccc(-c3cnc(Nc4ccccc4C(F)(F)F)s3)nc2n1 587368690 VLWTZJTWSNZLCZ-UHFFFAOYSA-N 405.361 4.322 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587370247 CYBSEQQQCOFDAZ-HXUWFJFHSA-N 418.287 4.154 0 1 HIAF CN(C)/C=C/[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378819 WOQZQZFBGPTDFF-KCCBKOOLSA-N 410.470 4.318 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)O2 587392775 DBFKEIJPAQKDHO-TZIWHRDSSA-N 408.498 4.273 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)nc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O 587421966 OPSAHGBVCIEZPC-UGSOOPFHSA-N 400.862 4.217 0 1 HIAF COc1cc(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587589853 AWVYGGBSWNMKOW-QPPBQGQZSA-N 406.434 4.460 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591790 XBHONYVADKISBE-WZONZLPQSA-N 407.422 4.166 0 1 HIAF CC1(C)Oc2ccc(C(=O)O)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587615248 FVTVKXDBOOFHHS-CYFREDJKSA-N 418.401 4.119 0 1 HIAF COc1ccccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587745558 WNYDIQLUGDTJIW-MPBGBICISA-N 421.310 4.375 0 1 HIAF CC(=O)N1CC[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1 587771738 XHNLNDBQOWMIIY-LRTDBIEQSA-N 417.322 4.118 0 1 HIAF COC(=O)c1ccc(-n2c(OC)cc(-c3ccccc3)c2OC)c(O[C@H]2CCOC2)c1 587924594 DXYCZYXXTRMNMT-SFHVURJKSA-N 423.465 4.116 0 1 HIAF Cc1ccccc1[C@@]1(c2ccc(Cl)nc2)NCCc2ccc(C(=O)N(C)C)cc21 962925447 MYPQUFIQBQMJCZ-XMMPIXPASA-N 405.929 4.183 0 1 HIAF Cc1ccc(F)cc1[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983809 ZURGKNYUPGHQGM-GUYCJALGSA-N 423.740 4.471 0 1 HIAF C[C@]1(c2cc(C=O)cs2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963185113 KKGRWWMQYMUKEE-BDJLRTHQSA-N 403.809 4.095 0 1 HIAF CSc1ccccc1[C@@]1(c2cccc(CN3CCC3)c2)c2nn(C)cc2CCN1C 963956832 ZOSASPDMYLWWPX-VWLOTQADSA-N 418.610 4.128 0 1 HIAF CSCC[C@@H]1N=C(c2ccccc2)c2ccccc2N(CCCCC(=O)O)C1=O 1772607610 YANCLSUNTOXRLT-IBGZPJMESA-N 410.539 4.247 0 1 HIAF CC=C(C)C(=O)O[C@@H](c1cc2ccc(=O)oc2cc1OC)[C@@H]1OC(C)(C)OC1(C)C 2356321832 YMVDDLDKESKNJK-PMACEKPBSA-N 416.470 4.282 0 1 HIAF CC(C=C1C(=O)N(C)[C@H](C[C@@H](C)C(Cl)(Cl)Cl)C(=O)N1C)=C(Cl)Cl 2356596326 GSTRDEBFQFLBIV-PSASIEDQSA-N 422.567 4.275 0 1 HIAF CC(C)N(Cc1nccn1C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 11661073 KRKYNPRCWZQZSR-UHFFFAOYSA-N 422.407 4.057 0 3 HIAF CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1cc[nH]n1)c1ccccc1 13150723 GZWVTRHCASXRSY-HXUWFJFHSA-N 408.477 4.242 0 3 HIAF COc1ccc(CCNC(=O)Nc2nc([C@@H](N)C3CCCCC3)cs2)cc1OC 61907121 MVIDOMMBFZWZFM-IBGZPJMESA-N 418.563 4.105 0 3 HIAF COc1cccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccccc2)c1OC 2724790 MNOWVXGEGCQQOD-QFIPXVFZSA-N 420.440 4.027 0 1 HIAF O[C@@H](CNCc1ccccc1OCc1ccccn1)c1cc(Br)cs1 14966901 OXXWZGNREZXHNZ-KRWDZBQOSA-N 419.344 4.308 0 1 HIAF COc1c(Br)cc(CO)c(OCc2ccccc2)c1Br 28652099 SHBPXUUWUZNSPT-UHFFFAOYSA-N 402.082 4.292 0 1 HIAF CC(C)CNC(=O)c1cncc(-c2ccc(CN3CCC(N4CCCC4)CC3)cc2)c1 45190562 CPXNSULPGRIQSZ-UHFFFAOYSA-N 420.601 4.195 0 1 HIAF COc1ccc([S@@](=O)c2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 73315821 BKUNIFXFINDIKU-LJAQVGFWSA-N 424.909 4.274 0 1 HIAF C[C@H](Cc1nc2c(NCC3CC3)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 82186174 VDXYEJIVRQXZIY-NQIIRXRSSA-N 418.589 4.479 0 1 HIAF O=C(Nc1cnc(-c2ccncc2)s1)[C@H](Cc1ccccc1)NCc1cncs1 96284451 MZINYAOYTSGCRP-SFHVURJKSA-N 421.551 4.001 0 1 HIAF CNc1nc(Nc2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2OC)ncc1Cl 169705015 IABVILFOULNYAX-BETUJISGSA-N 403.914 4.042 0 1 HIAF Cc1ccc(NC(=O)c2cccc(F)c2)cc1C(=O)Nc1ccc(-c2ncc[nH]2)nc1 299866400 OVAXQIDXAPXNKP-UHFFFAOYSA-N 415.428 4.424 0 1 HIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Cl)ncc4[nH]3)c2)cc1 586931392 SKOFMKNHVQWORP-UHFFFAOYSA-N 412.902 4.412 0 1 HIAF COc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2n1 587001186 UIUJFXGPNCJEOS-UHFFFAOYSA-N 410.275 4.403 0 1 HIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 587124782 CJEHIOXKMPCHGL-KRTXAFLBSA-N 413.787 4.174 0 1 HIAF CN(C)c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)nc1 587195649 ZJHSWNRGQWZKMF-UHFFFAOYSA-N 401.186 4.352 0 1 HIAF C[C@@H]1Nc2ccccc2C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348828 SKMFHXFRIBNRFA-DKEVXLODSA-N 403.409 4.326 0 1 HIAF COC(=O)c1cccc(-c2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2)c1 587436081 NHBKJGCMCNMUBT-HXOBKFHXSA-N 401.418 4.033 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3cnn(C)c3)cc1)CC2=O 587474419 DQKIGEDHLAJODB-OAQYLSRUSA-N 406.438 4.004 0 1 HIAF Cc1cc2c(cc1C)[C@]1(CC(=O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613771 YXUFOCHKCCWVEI-URXFXBBRSA-N 402.402 4.175 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccncc2)N1 587763128 IFQLYKMWPRGIOQ-JEOXALJRSA-N 401.283 4.007 0 1 HIAF Cc1ccc([C@@]2(/C=C/C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587829667 RYPHLCHMZOBASC-KAEOXXQDSA-N 404.279 4.315 0 1 HIAF CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N3CCCCC3)c2n1 653861170 RJJCQFIKDHPNRC-UHFFFAOYSA-N 406.530 4.085 0 1 HIAF CC(C)NC(=O)[C@]1(C(C)C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961772204 BKRAPQFUHLGZGE-DEOSSOPVSA-N 415.578 4.214 0 1 HIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2cc3ccc(Br)cc3s2)N1 962899025 NWJCCCAJUKEHED-WMLDXEAASA-N 406.276 4.491 0 1 HIAF COc1cc(OC)cc(Oc2ccc([C@H]3NCCc4nc5ccccn5c43)cc2)c1 962982813 KUMHLHSXBXPYBO-HSZRJFAPSA-N 401.466 4.379 0 1 HIAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12CCc1cc(Cl)ccc12 963135083 CZJSWKALIAWIOB-MGPUTAFESA-N 420.918 4.233 0 1 HIAF COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 4101679 QHTDMJVJHKYWSF-GGAORHGYSA-N 410.489 4.331 0 3 HIAF CC(=O)Nc1cc(-c2cccc(C(=O)N(C)C)c2)cn2c(-c3ccc(F)cc3)cnc12 61897058 INXGMKCUUJMRDE-UHFFFAOYSA-N 416.456 4.468 0 3 HIAF COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C(=O)[C@@H](C)[C@H](C)C2 15270821 GWGFXKOBEDDHFA-NEPJUHHUSA-N 416.470 4.113 0 1 HIAF biogenic Cc1c(F)cccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1 27735285 DCQXFHHMCAJRDF-UHFFFAOYSA-N 411.521 4.000 0 1 HIAF CC(C)(C)c1cccc([C@H]2CNC[C@H]2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c1 49046807 HNAXCRUIEUANFZ-RTBURBONSA-N 423.944 4.421 0 1 HIAF O=C(COc1ccc(F)c(Cl)c1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 66129272 FVHKBZQBYVLIDA-UHFFFAOYSA-N 401.825 4.425 0 1 HIAF CN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5F)cc4=O)ccc23)C1 72116464 KMMWYEGCINPOGT-UHFFFAOYSA-N 403.457 4.066 0 1 HIAF CC(C)(C)NC(=O)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72185676 GAIWJZJORROHHH-HXUWFJFHSA-N 400.954 4.387 0 1 HIAF CN(C)c1cc(/C=C/c2cc(/C=C/c3ccc(O)c(N(C)C)c3)ncn2)ccc1O 84690125 XKMKSONISLTTHV-NXZHAISVSA-N 402.498 4.361 0 1 HIAF COc1ccc(CSc2nnc(C3=CC=C4NC=CN4C3)o2)cc1C(F)(F)F 100086645 SHDABICSYCNXED-UHFFFAOYSA-N 408.405 4.004 0 1 HIAF O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccco2)[C@@H]1C(=O)c1cc2ccccc2o1 100277050 DYYZEJOLMRXKMN-YADHBBJMSA-N 413.429 4.220 0 1 HIAF Oc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)n1-c1ccc(F)cc1 169689656 FLSAMGILMPPTDK-UHFFFAOYSA-N 421.394 4.373 0 1 HIAF NC[C@@H]1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)C1 205261874 ZNVUMRSQGFRLPG-HNNXBMFYSA-N 402.477 4.001 0 1 HIAF Cn1ccc2ccc(-c3ccnc(NC[C@H](O)CN4CCc5ccccc5C4)c3)cc21 219729326 DMWLNIKQERRLLK-DEOSSOPVSA-N 412.537 4.071 0 1 HIAF CC(=O)OCC1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1[C@H]3OC(C)=O 238788078 YJYOZRWDYXVENI-UXMFAGORSA-N 418.530 4.125 0 1 HIAF C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@H]21 254128284 KCGXXRBMPRXFSA-WSMBLCCSSA-N 406.448 4.348 0 1 HIAF O=C1OCC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)c1cc3c(cc1N2CCO)CCC3 299827786 PEAKVZRAGYGWHS-FQEVSTJZSA-N 416.304 4.237 0 1 HIAF N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 587183170 BHNMSTLIEQLQAQ-LBPRGKRZSA-N 415.637 4.203 0 1 HIAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 587241638 ZWAFBOSCWMIJCH-UHFFFAOYSA-N 408.483 4.419 0 1 HIAF COc1cc2c3c(c1)O[C@H](CC1CCN(C(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587435566 GKJOOIOCZSKNNB-NHCUHLMSSA-N 421.493 4.250 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Cl)cn1)CC2=O 587462687 QIEJIQIWXBZYCJ-NRFANRHFSA-N 403.862 4.207 0 1 HIAF COc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587595025 MGYFOKHCVQVCRT-GBXCKJPGSA-N 414.417 4.494 0 1 HIAF C[C@]1(c2ccccc2N2CCOC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595127 OUPIEWHENYMGSZ-GBXCKJPGSA-N 417.417 4.226 0 1 HIAF CCOC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587650304 RKOZNGRDFUXGRF-UHFFFAOYSA-N 411.401 4.434 0 1 HIAF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccccc1 587758280 IJJKRSVQIVMLLO-FKIZINRSSA-N 415.310 4.275 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccncn3)s2)N1 587851864 CZAPJOYYWXNCBJ-XXFAHNHDSA-N 405.296 4.125 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc(O)c(N)c1 587858964 QWPDARHVCSQRGC-UHFFFAOYSA-N 406.269 4.426 0 1 HIAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc(OCC(=O)O)c(Cl)c1 962373536 MUTHJAUEYDYWGH-OAQYLSRUSA-N 416.930 4.351 0 1 HIAF Cc1ccccc1C(=O)N1CCC2(CC1)c1cccc(Br)c1CCN2C 963278856 CSAGMFMQYVNEBB-UHFFFAOYSA-N 413.359 4.377 0 1 HIAF CC(C)(C)c1nn2c(=O)cc(-c3cccc(C(N)=O)c3)[nH]c2c1-c1ccc(Cl)cc1 1857579501 HZEMIIJUTFFDTC-UHFFFAOYSA-N 420.900 4.406 0 1 HIAF CN(C)CCNC(=O)c1ccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)cc1 1857599417 VZCNWHWQKJTTDL-UHFFFAOYSA-N 419.916 4.008 0 1 HIAF O=C(Nc1ccc2[nH][nH]c(=Nc3cccc4ccccc34)c2c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c1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@@H](C(=O)NCc2ccccn2)C1 3959613 MFIFLRKZIUTNER-GOSISDBHSA-N 424.932 4.227 0 3 HIAF Cc1ccc(CNC(=O)[C@@H]2CC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)=NO2)o1 13478549 GXOYKDVHHUNPBT-HNNXBMFYSA-N 420.309 4.435 0 3 HIAF C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccccc1 61924201 KDLOOFLJURVORL-NQCBNZPSSA-N 418.541 4.000 0 3 HIAF Fc1cnc(-c2ccccc2C(F)F)nc1NCC1CCN(c2cnccn2)CC1 169342080 PQPUCPBYGILAGI-UHFFFAOYSA-N 414.435 4.339 0 3 HIAF COc1ccc(-c2noc(C)c2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 774255 RYJDRRZZKOPVEZ-UHFFFAOYSA-N 406.360 4.487 0 1 HIAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1CCc2ccccc2C1 13679943 FFVHKELADRCBJW-DEOSSOPVSA-N 402.582 4.278 0 1 HIAF CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12 13683952 KWGCCNJTWRSFKV-UHFFFAOYSA-N 422.525 4.468 0 1 HIAF O=C(O)[C@@H]1CCCN(CCOC=C(c2cc(F)ccc2F)c2cc(F)ccc2F)C1 13800113 ZPEWSGRSBCOTKK-CQSZACIVSA-N 423.406 4.445 0 1 HIAF COc1c(C)c2c(c(C=O)c1Cl)Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2 14654214 JHWGPZNTALJDRQ-UHFFFAOYSA-N 411.193 4.274 0 1 HIAF biogenic C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1ccc(C(N)=O)cc1)C2=O 29131686 DRTLOKYKRHRNTD-DXBKKHHHSA-N 403.522 4.385 0 1 HIAF CC1(C)C[C@@]2(CN(Cc3ccccc3)C(=O)CO2)c2cc(Br)ccc2O1 40847528 YJPBLRAGISPJEW-OAQYLSRUSA-N 416.315 4.265 0 1 HIAF COc1cccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(F)(F)F)n2)c1 82195394 CFQDBFCCXRSEDT-ZDUSSCGKSA-N 419.494 4.031 0 1 HIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3ccc(F)cn3)cnc2C1 95565474 VVOXZDJGHIIZQY-UHFFFAOYSA-N 424.785 4.412 0 1 HIAF O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cc(-c2cn[nH]c2)cc1Cl 96928696 VOKQMCFXWSLSJF-UHFFFAOYSA-N 416.268 4.379 0 1 HIAF Cc1cccc(-c2ccc(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)cc2)c1C 101211248 IGKMFPAARDLTHI-UHFFFAOYSA-N 420.490 4.128 0 1 HIAF O=S(=O)(c1ccccc1)[C@H]1C[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 101427884 CFDCTBOVDXIEET-ZFGGDYGUSA-N 420.486 4.022 0 1 HIAF CC(C)(C)n1ncc(OCc2nnc(-c3ccc(Cl)cc3)s2)c(Cl)c1=O 103217121 YYVAYNUHFARAPT-UHFFFAOYSA-N 411.314 4.403 0 1 HIAF CC(C)C[C@H]1CN(C(=O)c2cc(-c3ccc(F)c(F)c3)on2)[C@@H](CC(C)C)C(=O)N1 103265332 GQILRFCDGPKKRG-KXBFYZLASA-N 419.472 4.021 0 1 HIAF CC[C@@H](Sc1n[nH]c2c3ccccc3nc-2n1)C(=O)Nc1nc2c(s1)CCCC2 103879012 BKJLPXGMUCZVLT-CQSZACIVSA-N 424.555 4.302 0 1 HIAF CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)no1 116244797 RFXYCONJKGVEBN-UHFFFAOYSA-N 418.437 4.182 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccc(C)o4)[C@@H]3c3ccco3)sc2c1 169691849 ITIZJANZAYCPAV-MSOLQXFVSA-N 420.446 4.255 0 1 HIAF COc1ccccc1[C@]1(O)c2ccc3nc(C)c(OC)c(OC)c3c2[C@@H]2CC[C@H]1O2 195841732 XHNIIQKOPPYGRE-GLDPYIMESA-N 407.466 4.039 0 1 HIAF CC(C)n1cc2c(n1)C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 220421057 OGSOMZCUMMDDJU-GOSISDBHSA-N 417.296 4.219 0 1 HIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cccc(C(=O)O)c3[nH]2)cc1 586949173 STJDLSZJUPYLMD-UHFFFAOYSA-N 407.451 4.037 0 1 HIAF Clc1ncc(I)c2nc(-c3csc4c3CCOC4)[nH]c12 587031346 FMAWDGMNAIJKJC-UHFFFAOYSA-N 417.659 4.017 0 1 HIAF COc1ncc(F)cc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 587176570 WJRUFNHWVWDKFZ-UHFFFAOYSA-N 406.133 4.434 0 1 HIAF CCc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587344048 BOBCZNWOEVSWQQ-QPPBQGQZSA-N 403.409 4.300 0 1 HIAF COP(=O)(C[C@]1(CCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)OC 587410180 VWKSUAOQQANIBL-NRFANRHFSA-N 403.415 4.400 0 1 HIAF COc1cc2c3c(c1)OC1(CCN(c4nc5cc(Cl)ccc5o4)CC1)[C@@H](C2)C3=O 587422553 QPBDCYFAZVZJLJ-HNNXBMFYSA-N 410.857 4.276 0 1 HIAF Nc1cccc([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575788 DJQGKZYAQCAHCX-RDGATRHJSA-N 410.429 4.275 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ncc[nH]2)N1 587736731 UAKYGAGMAYVIBK-WYRIXSBYSA-N 404.258 4.277 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cnn(C)c2)N1 587767315 YCSYUJPANDZLST-RBZFPXEDSA-N 400.295 4.148 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3cccc(CO)n3)CCC2)N1 587773700 RIUVZTBGIPTISD-ASSNKEHSSA-N 417.322 4.473 0 1 HIAF COc1ccc2[nH]c(O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587800640 BZQGJRVYWIMUBQ-LZVRBXCZSA-N 405.267 4.407 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2N2CCSCC2)N1 587853961 BPOQSBAIMJJEIC-VVFCZOMOSA-N 413.400 4.309 0 1 HIAF Cc1ccc(N(CC(=O)Nc2cc(F)ccc2F)S(=O)(=O)c2cccs2)cc1 618006315 CCFLMWHJGHFDEI-UHFFFAOYSA-N 422.478 4.169 0 1 HIAF CCOC(=O)CSc1nnc(-c2cc3cc(Br)ccc3o2)n1CC 957856794 HPRIECYPNDUZME-UHFFFAOYSA-N 410.293 4.129 0 1 HIAF CCOC(=O)[C@]1(c2cc(Cl)ccc2OC)c2c(F)cccc2C[C@@H]2CCCN21 963089290 GTEQGBKHDIQYHL-AOMKIAJQSA-N 403.881 4.315 0 1 HIAF COc1ccc2c(c1)C[C@H](Cc1cc[n+](Cc3ccccc3C)cc1C(C)=O)C2=O 1772627729 OAJIBEPXRANJSK-QFIPXVFZSA-N 400.498 4.140 0 1 HIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(cccc3OC[C@H]3CC3(F)F)C2)cc1 1772629813 OARGRHIXKCJBHZ-IIBYNOLFSA-N 414.496 4.476 0 1 HIAF CC(=O)Nc1cc2ccc(OCc3ccccc3Br)c(C)c2oc1=O 1857651478 SHIWRPQQQCYAPQ-UHFFFAOYSA-N 402.244 4.401 0 1 HIAF O=C(NC1CCCCC1)N1Cc2cc(-c3cccc(F)c3)ccc2-n2nncc2C1 72137944 BGXZQYVQJHDKER-UHFFFAOYSA-N 405.477 4.431 0 3 HIAF Cn1cc(-c2ccc3c(c2)N(Cc2ccc(C(F)(F)F)cc2)C(=O)COC3)cn1 205226018 JEFBSJHNCUTZRP-UHFFFAOYSA-N 401.388 4.169 0 3 HIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccccc1OCC 4152643 FRQCFFFYTVDOJK-JTHBVZDNSA-N 410.514 4.492 0 1 HIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1 5383305 WJOGTCZNZPHODB-JIMMMHPXSA-N 416.558 4.175 0 1 HIAF biogenic CCN(CC)CCCCNc1cc2nc(N)c(-c3cc(OC)cc(OC)c3)cc2cn1 13647830 CWWGWUITOJWIQB-UHFFFAOYSA-N 423.561 4.430 0 1 HIAF CCOc1ccc(OCC)c(CCNC(=S)Nc2ccc(Br)cn2)c1 13759871 XPASKBKRVYRRKP-UHFFFAOYSA-N 424.364 4.171 0 1 HIAF COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1CC=C(C)C 14648346 NVPPDJQPJXYMLK-UHFFFAOYSA-N 412.438 4.406 0 1 HIAF biogenic CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc(C(F)(F)F)cc2)CC(=O)N1 14954356 PDSGDBHQLRAVID-MRXNPFEDSA-N 414.387 4.098 0 1 HIAF Fc1ccc(-c2noc3ncnc(NCCCN4CCc5ccccc5C4)c23)cc1 20940406 WHTCGVOTCQWDFT-UHFFFAOYSA-N 403.461 4.284 0 1 HIAF O=C(O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCC1 26143371 UEVQEKTWOVYWOF-UHFFFAOYSA-N 412.449 4.095 0 1 HIAF C[C@H](C1=C(O)[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O)c1ccccc1 26837961 VMPXKFBRICFDMH-GKVSMKOHSA-N 407.510 4.445 0 1 HIAF CCCNC[C@@H](O)COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 27104541 DATGFPGTPIHOMT-OAHLLOKOSA-N 421.415 4.218 0 1 HIAF CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@H](C)NCC2(C)C)cc1 36221839 YLSDZONXUSTQQM-YADARESESA-N 423.601 4.339 0 1 HIAF COC(=O)[C@@H]1C[C@@]2(CC=C(C)C)c3ccccc3N3C(=N)[C@H](c4ccccc4)N1[C@H]32 40423668 OMJPNSTUBJQYKU-MHOPESGUSA-N 401.510 4.406 0 1 HIAF CN(C)Cc1ccc([C@@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@H]2c2ccc(F)cc2)cc1 68201032 QOITWWGIMYRLSV-GMAHTHKFSA-N 414.484 4.423 0 1 HIAF CCCc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCc1ccccn1 82179703 HNLKEVDBYJXPOE-UHFFFAOYSA-N 404.493 4.210 0 1 HIAF CCOc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)cc1 82195907 IHNACRAZPBRJQU-NRFANRHFSA-N 407.539 4.494 0 1 HIAF O=C(O)Cc1cccc(C2=C3Cc4cc(CNC5CCC(O)CC5)ccc4[C@H]3N=N2)c1 87612919 PSNCJTUMVUJRTN-OZTQUORISA-N 417.509 4.181 0 1 HIAF CC[C@@H](C)C(=O)O[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 97975247 PCZOHLXUXFIOCF-WDLVNFQGSA-N 404.547 4.196 0 1 HIAF Cc1nc2ccccc2n(C2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1=O 169334306 PNYFUXOIQZKPGY-UHFFFAOYSA-N 407.489 4.144 0 1 HIAF C/C(=C\CC/C(=C/C[C@@H]1OC(=O)C=C1CO)CO)CC[C@@H]1C(C)(C)CCC[C@]1(C)O 195105141 BYAXMGMKQCMKDN-CBKKWIOXSA-N 420.590 4.223 0 1 HIAF COc1ccc(-c2c(CO)n(Cc3cccc(F)c3)c3cc4c(cc23)OCO4)cn1 299820445 GUHNMFCPVWTRLD-UHFFFAOYSA-N 406.413 4.120 0 1 HIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 586948660 RGMJLPZNDFJVTM-UHFFFAOYSA-N 412.284 4.282 0 1 HIAF O=C(O)c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1F 586966072 CPJBQJKLSZLAIE-UHFFFAOYSA-N 423.473 4.210 0 1 HIAF Cc1ccc(-n2cnnc2SCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1Cl 586967739 DVNAITBHDHPFOF-QGZVFWFLSA-N 413.894 4.121 0 1 HIAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(F)(F)F)cc2[nH]1 587182810 SRMHQCAYTMOLJZ-QMMMGPOBSA-N 420.176 4.301 0 1 HIAF CCCCOc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587276354 MUYCIQKOCCFKNB-UHFFFAOYSA-N 404.260 4.493 0 1 HIAF CCOC(=O)[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328125 AXDJMOLDRZTZIR-XUZZJYLKSA-N 424.399 4.488 0 1 HIAF Cc1cc(F)cc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330261 DOGNAESXKLPMJB-WMZHIEFXSA-N 407.372 4.185 0 1 HIAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2Cn2cncn2)[C@@H]1c1ccc(F)cc1 587345392 ZKNSRZWMALYHJR-VZPUWSDOSA-N 407.445 4.111 0 1 HIAF C[C@@]1(c2cccc(OCC(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345774 GPFILCKGNRQCHV-UPVQGACJSA-N 422.408 4.269 0 1 HIAF CC(C)(C)OC(=O)N1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347167 TWDPPSZMZDGQEW-WMZHIEFXSA-N 413.445 4.270 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CS(=O)(=O)c1ccc(Cl)cc1)(C(C)(C)C)O2 587406352 BOJYPDQNWXPCIC-NRFANRHFSA-N 421.946 4.455 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(C)c(C)cc3n3nnnc13)CC2=O 587481664 HGCAVEJMCFXNCU-OAQYLSRUSA-N 402.454 4.259 0 1 HIAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCC(=O)O 587520498 DDZQLTPXFYPNFS-XMMPIXPASA-N 410.466 4.308 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1cnccn1)c1ccccc1 587587630 NOHMXQYHWTXBCP-WIOPSUGQSA-N 410.429 4.282 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c(O)nc1-c1ccccc1 587591552 VYERRTMIHGIYAN-JTSKRJEESA-N 400.390 4.191 0 1 HIAF CCCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587597431 VEGOQSVAHOCEPK-PXDATVDWSA-N 415.445 4.396 0 1 HIAF CCOC(=O)[C@H](c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599645 YJBXPXWCBRQZEG-ZRCGQRJVSA-N 404.418 4.069 0 1 HIAF COc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587756985 UAIRPROQFFZPHC-FKIZINRSSA-N 416.294 4.406 0 1 HIAF CCOC(=O)Cc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792280 BHBWJECWTCZPAW-ASSNKEHSSA-N 420.322 4.492 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(C(=O)O)ccc1OC2(C)C 587828890 AURYZZLVHVXMPY-CFMSYZGJSA-N 420.278 4.235 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2nccn2C)N1 587850699 DXIXUPZVOFFECR-ADLMAVQZSA-N 406.324 4.209 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)s2)N1 587852149 DKOMPHBWJPUETN-SREIQFSDSA-N 406.118 4.431 0 1 HIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(C)c(C)c1Cl 587863552 BKAZWACBFZZMFN-UHFFFAOYSA-N 412.799 4.351 0 1 HIAF COc1ccc2c(c1)[C@@H](c1ccccc1OCC(=O)N1CCCC1)N(C(C)C)CC2 962090504 LHZGPVZCTOMPFV-RUZDIDTESA-N 408.542 4.052 0 1 HIAF CCOC(=O)CCC[C@@]1(c2ccc3c(c2)OCCO3)NCCc2ccc(F)c(C)c21 962376461 PMTSZNAEHKPLHC-DEOSSOPVSA-N 413.489 4.028 0 1 HIAF CCN1C(C)=C[C@]2(c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c2cc(C(=O)O)ccc21 962633975 POIAVLBQTSPOOU-BZQUYTCOSA-N 422.525 4.266 0 1 HIAF CN1Cc2c(C3=C[C@H]4CC[C@@H](C3)N4CC(=O)O)[nH]c3nccc(c23)-c2cc(F)ccc21 1772632981 XLRQZTUNWNIGSH-CVEARBPZSA-N 418.472 4.024 0 1 HIAF O=C(N[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1)c1ccccc1-n1cccn1 1772645204 FMHILWNARCKYLW-IRXDYDNUSA-N 415.419 4.049 0 1 HIAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@@H]1c1cccc(F)c1Cl 1857751033 HOIJRGFGRKZXII-MRXNPFEDSA-N 405.882 4.350 0 1 HIAF CC1=C[C@H](CNC(=O)C(C)(C)C)[C@@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 2356499342 AWBRWTAXVOOPHV-BHDDXSALSA-N 413.606 4.447 0 1 HIAF Cc1ccc2nc(C[C@@H]3CN(C(=O)Nc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356692755 KHDKJOAEIMFBOG-IAGOWNOFSA-N 406.486 4.059 0 1 HIAF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 767848 UUPBEXZRCLLWAS-RBBKRZOGSA-N 423.875 4.470 0 1 HIAF O=C(c1cc2ccccc2[nH]1)N1CCN(c2ncccc2NCc2ccccc2)CC1 6580090 LJRNOCGYBNRDSO-UHFFFAOYSA-N 411.509 4.137 0 1 HIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cc2ccc(C)cc2[nH]c1=O 8692188 WNBNXHDZQXLGIE-WDWWVRLLSA-N 410.470 4.038 0 1 HIAF C=C(C)C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@H](OC(=O)C(=C)C)[C@]2(C)[C@@H]1C 13322657 WNVFOQLUTQMREJ-KKMIRAPMSA-N 400.471 4.485 0 1 HIAF biogenic COc1cc([C@H]2COc3cc(OC)c4c(c3[C@@H]2O)CCc2cc(O)ccc2-4)ccc1O 13378528 DARDHUFDRYDZMZ-IQGLISFBSA-N 420.461 4.090 0 1 HIAF biogenic O=C(CSc1nc(O)cc(=O)n1C1CCCC1)Nc1cccc(Cl)c1Cl 13636265 OXOZIUUKPYUENW-UHFFFAOYSA-N 414.314 4.102 0 1 HIAF CN(CCC1CCN(C[C@H]2COc3ccccc3O2)CC1)C(=O)Nc1ccccc1 13813695 NCFQNALJMWRWNO-NRFANRHFSA-N 409.530 4.092 0 1 HIAF CCOCCn1c([S@](=O)Cc2nccc(SCC)c2C)nc2ccccc21 13820836 YIGAFYBJFIMEHZ-MHZLTWQESA-N 403.573 4.196 0 1 HIAF COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H]1[C@@H](O2)OC(C)(C)[C@H]1OC(C)=O 14610773 XMJHOTVIJNLONQ-PMVMPFDFSA-N 422.433 4.011 0 1 HIAF biogenic COc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccn1 45284392 CQCYZYXYLGEQJN-UHFFFAOYSA-N 409.559 4.217 0 1 HIAF COCC(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1 49073378 DMSZROMUVZKINV-UHFFFAOYSA-N 410.905 4.145 0 1 HIAF CCCc1nc2c(NCCc3cccc(F)c3)ncnc2n1CC[C@H]1CCCN1C 82179708 ZJPQNPOBIGOMSQ-LJQANCHMSA-N 410.541 4.057 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 82199173 SNMXXOWVJDTQSH-NTZBCVIUSA-N 414.590 4.353 0 1 HIAF O=C(NCc1ccccc1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21 96271931 IULOSGUWEJIXAA-NRFANRHFSA-N 405.885 4.083 0 1 HIAF O=C(CSc1ncc2c(n1)-c1cc(F)ccc1SC2)NCCc1ccccc1 103107165 WSFQURYIMGBIKF-UHFFFAOYSA-N 411.527 4.339 0 1 HIAF C[C@@H]1CCN(c2cnc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)cn2)C1 169706668 YLWWTQCEOSVPGY-OAHLLOKOSA-N 414.517 4.474 0 1 HIAF Cc1ccc(N2CCN([C@@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 170112546 IPTMTFLQMURYAT-RUZDIDTESA-N 412.653 4.153 0 1 HIAF CN1c2ccc(F)cc2C(=O)N2CCn3c(cc4cc(Br)ccc43)[C@@H]21 221966646 ZOPOQTWLTDCVRX-GOSISDBHSA-N 400.251 4.147 0 1 HIAF CN(C)C(=O)[C@]1(c2ccccc2)CC(O)=C(Sc2ccccc2Cl)C(=O)O1 299823777 UUMLTAIJFDZQSD-HXUWFJFHSA-N 403.887 4.132 0 1 HIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C)c(Br)cc3[nH]2)c1 586931259 ZMBMJDAMOGXRID-UHFFFAOYSA-N 422.348 4.331 0 1 HIAF N[C@H](Cc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(Br)cc1 586997364 QCOJQTFWYWVWIF-LLVKDONJSA-N 411.097 4.036 0 1 HIAF CN(C)S(=O)(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195941 KMVFSFNDZSZLNZ-UHFFFAOYSA-N 420.538 4.020 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1c(O)[nH]c4cc(Br)ccc14)[C@@H](C2)C3=O 587416566 DCZMLZMYJQVAID-SGTLLEGYSA-N 400.228 4.133 0 1 HIAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420807 JDNGKWVHGUBGNL-SZNDQCEHSA-N 411.841 4.495 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cccnc1)[C@@H](C2)C3=O 587433172 VQISNAWLIHOXPV-UQBPGWFLSA-N 409.445 4.432 0 1 HIAF COC(=O)c1ccc(-c2ncccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587437223 YAJUAWAZIMKPPT-JPYJTQIMSA-N 401.418 4.033 0 1 HIAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587809471 TYMABDLVSPFZHB-DYZYQPBXSA-N 410.283 4.238 0 1 HIAF CCOC(=O)c1csc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587854261 SJKYBZJVLSSNML-XYZCENFISA-N 413.312 4.019 0 1 HIAF CC(C)(C)[C@]1(c2ccc(N)cc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962659157 FUOILRYPBFJBFQ-DQEYMECFSA-N 403.526 4.205 0 1 HIAF Cc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 1772575414 VPCBUIFZQHYYDU-XMMPIXPASA-N 403.522 4.323 0 1 HIAF COCCCn1cc(-c2cnc(N)c(O[C@H](C)c3cc(F)ccc3Cl)c2)cn1 1911583485 GJMOWPNLZOPPJD-CYBMUJFWSA-N 404.873 4.496 0 1 HIAF CC(=CCCC(=CC[C@@H]1OC(=O)C=C1CO)CO)CCC=C(C)CCC[C@H](C)CO 2356418198 CCONHYLQHTWPKT-URXFXBBRSA-N 420.590 4.391 0 1 HIAF Cc1ccc(C(C)C)c(OCC(=O)N2N=C3CC[C@@H](C)C[C@H]3[C@]2(O)C(F)(F)F)c1 4172201 ADWUUUJQYFCWKJ-AUJRIZCKSA-N 412.452 4.383 0 1 HIAF Cc1cccc([C@H]2SCC(=O)N2CCN2C(=O)CS[C@@H]2c2cccc(C)c2)c1 26666482 SRFUBVUBPMENPP-FGZHOGPDSA-N 412.580 4.152 0 1 HIAF CC(=O)Oc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]32)c(OC(C)=O)c1 27570278 GSJSDLGYROZESW-DRSNIGMVSA-N 407.422 4.062 0 1 HIAF Clc1ccc2c(c1)CCc1cccnc1[C@H]2N1CCN(CCc2cccnc2)CC1 27988879 QWHQOLBRGJTMOG-VWLOTQADSA-N 418.972 4.178 0 1 HIAF COc1ccc(CCn2c(-c3ccc(F)c(N)c3)nc3cc(C(=O)O)ccc32)cc1 43074463 SXCOIMASPHBPQH-UHFFFAOYSA-N 405.429 4.374 0 1 HIAF C#Cc1cccc(Nc2ncnc3ccc(OCCCCCCC(=O)NO)cc23)c1 59149214 UPDVFBHUYSIDCL-UHFFFAOYSA-N 404.470 4.189 0 1 HIAF CCn1cc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c(=O)c2ccc(C)nc21 72179182 KXDSLXAQYJOOBW-UHFFFAOYSA-N 422.901 4.211 0 1 HIAF O=C(O)[C@@H]1COc2c(-c3cccs3)c(Cc3cccc4ccccc34)cc(=O)n21 84705340 MWTHSUVLDSPKJJ-SFHVURJKSA-N 403.459 4.339 0 1 HIAF CNC[C@H](O)c1ccc(O)c2c1C[C@@H]([C@@H]1OC[C@H](C)c3ncccc31)CC(C)(C)C2 85510716 WLEJUQSLUFOHJJ-IPQITSKNSA-N 410.558 4.046 0 1 HIAF biogenic,in-vitro OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccc(Br)cc2-3)cc1 96174160 MQURKQFMQHPPER-UHFFFAOYSA-N 420.270 4.308 0 1 HIAF CC(C)Oc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175208 WJLQDOOELRWEQR-HNAYVOBHSA-N 410.539 4.148 0 1 HIAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC3Cc4ccccc4C3)ccc21 114899663 KWLCTOBOVQSXQF-UHFFFAOYSA-N 403.522 4.217 0 1 HIAF Oc1ccc(-c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)cn1 117696406 KIQWHSXCLUTZKG-UHFFFAOYSA-N 424.468 4.396 0 1 HIAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H](C)C(F)(F)F)cn1 141341426 AXSNSFLHODCXTA-ZDUSSCGKSA-N 405.376 4.305 0 1 HIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CCc4cc(C(F)(F)F)ccc43)cc21 145745778 KLRIPCCWIPWFHR-QGZVFWFLSA-N 403.404 4.423 0 1 HIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cnc(OC(F)F)c(C)c1 215900590 MGVQTTHWUSUJOE-OAHLLOKOSA-N 406.429 4.262 0 1 HIAF COc1ccc(Br)cc1[C@@H]1N(c2ccc(F)cc2)C(=O)[C@@H]2CCCN21 250399061 LCFPIERQBFFEKX-WMZOPIPTSA-N 405.267 4.107 0 1 HIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](c4ccccc4)C(F)F)ncc23)ccn1 261127485 KNFMKKYSAAGCMK-LJQANCHMSA-N 408.412 4.456 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 299873845 AKFJNRGYGYALQC-VMSSMSMFSA-N 424.516 4.155 0 1 HIAF Cc1ccc(NC(=O)CSCCc2nc3c(F)cnc(Br)c3[nH]2)cc1 586969932 BLROCHANBGLZCF-UHFFFAOYSA-N 423.311 4.082 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(OC)nc3Cl)nc2c1 587087431 QAROVWXMBWLGAY-UHFFFAOYSA-N 410.655 4.226 0 1 HIAF COc1cc(N)c(I)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 587179095 PUXSMDFKXVAMBG-UHFFFAOYSA-N 417.609 4.218 0 1 HIAF CC(=O)OC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334901 MWRRMYYTNJPFHR-VWNXMTODSA-N 424.399 4.488 0 1 HIAF Cc1[nH]c(C(=O)O)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344823 HKRJHERNVJQYLV-CVDCTZTESA-N 409.413 4.449 0 1 HIAF COc1cc2c3c(c1)OC1(CCC(CNC(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O 587433980 YLQYATNSUOIKQS-RDEMWXPNSA-N 421.493 4.298 0 1 HIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OC[C@@H]4CO4)cc1)[C@@H](C2)C3=O 587455311 MEYHLNOCWXSEOM-TVZXLZGTSA-N 414.457 4.164 0 1 HIAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccc(C(=O)O)o4)c1)[C@@H](C2)C3=O 587455897 QXMLYFOKVFONKJ-HTAPYJJXSA-N 406.390 4.054 0 1 HIAF O=C1C[C@@H](c2ccc(S(=O)(=O)N3CCCC3)cc2)Oc2c1ccc1c2CCCC1 587532828 OYGWFLRPKNPLPZ-QFIPXVFZSA-N 411.523 4.056 0 1 HIAF CCOC(=O)CCOCCCOCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587566394 KRLSSZVBQUYNHB-UHFFFAOYSA-N 422.831 4.154 0 1 HIAF CN(C)c1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587616255 ZKJUWWWTAIHTGR-CZUORRHYSA-N 402.859 4.271 0 1 HIAF Cc1nn(-c2ccccn2)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587760371 XWACYNYCRNQORV-GIPWTMENSA-N 415.310 4.409 0 1 HIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587963665 PZBAYKLNQQVIRT-QWHCGFSZSA-N 417.918 4.175 0 1 HIAF CCCCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 653802041 MLMXORBEZPDELJ-UHFFFAOYSA-N 419.460 4.008 0 1 HIAF Nc1cccnc1C(=O)Nc1ccc(N2C[C@H](Cc3ccccc3)CC2=O)c(Cl)c1 653849872 GMARWYTUKIGILU-MRXNPFEDSA-N 420.900 4.165 0 1 HIAF COc1cc2c(cc1OC)[C@](C)(c1ncc(Br)cc1C)N(C)[C@H](C)C2 962620434 HNVLYBDKLJIOBY-ZUOKHONESA-N 405.336 4.310 0 1 HIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCCN(C(=O)Oc2ccccc2)CC1 963634058 IWPLGWMGJCSCOL-BXKMTCNYSA-N 410.514 4.118 0 1 HIAF COc1cc(N(Cc2cccc(C)c2C)CC2CC2)cnc1C(=O)[C@H]1C[C@H]1C(=O)O 1772586905 LRXJWJPKMGAWTD-VQTJNVASSA-N 408.498 4.027 0 1 HIAF Cc1cncc(C(=O)Nc2cc(CN3CCC(C(=O)NC(C)(C)C)CC3)ccc2C)c1 1772596069 GHKSGRPKHNXBHE-UHFFFAOYSA-N 422.573 4.077 0 1 HIAF COc1ccccc1-c1cccc2c(O)c(C(=O)N[C@H]3CC[C@H](OC)CC3)ncc12 1911581830 IHMMBXMPFGHJIT-WKILWMFISA-N 406.482 4.303 0 1 HIAF O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1csnn1)C1CCCC1 4965103 VWHMYYQNEMIYEA-FQEVSTJZSA-N 412.559 4.113 0 3 HIAF O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCCN2C(=O)C2CCCCC2)on1 61903919 AAQBRUMKUJLJAZ-HXUWFJFHSA-N 413.493 4.378 0 3 HIAF CCCOC[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 29044212 CIPHZNQEIMSGOJ-JTQLQIEISA-N 424.341 4.103 0 1 HIAF Cc1oc(-c2ccccc2)nc1COc1ccc(/C=C/C=C2/OC(=O)NC2=O)cc1 29318315 XJRUMXNKTPUPQQ-UVZAAPLCSA-N 402.406 4.393 0 1 HIAF NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(CCC(=O)O)cc4)cc3)nc2c1 34230775 QELFWESNQXCDSC-UHFFFAOYSA-N 401.422 4.138 0 1 HIAF COc1ccc(CN2CCN([C@@H](c3ccccc3)[C@@H](O)c3ccccc3)CC2)cc1 39238984 LYTUIICOBLXIQR-UIOOFZCWSA-N 402.538 4.288 0 1 HIAF COc1cc(NC(=O)C(F)(F)F)c(C(=O)c2ccc(C(F)(F)F)cc2)cc1OC 45321423 QYAOOWIBVCVDQA-UHFFFAOYSA-N 421.293 4.454 0 1 HIAF Cc1cc(OCCCNCCc2c[nH]cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49035836 DTGZGHPOXFQXNP-UHFFFAOYSA-N 407.493 4.310 0 1 HIAF CN(C)CCOc1cc(-c2cn[nH]c2)cc2sc([C@@H]3COc4ccccc4C3)nc12 49036032 ZGUUKCRQBSGXTR-KRWDZBQOSA-N 420.538 4.346 0 1 HIAF O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1ccnn1-c1ccccc1 66128827 DYZOAIFMPFBAFE-IBGZPJMESA-N 401.445 4.005 0 1 HIAF COc1cc(-c2n[nH]c3ccnc(-c4cccc(C(=N)O)c4)c23)cc(OC)c1OC 82079097 AOJFVKBGEULZMK-UHFFFAOYSA-N 404.426 4.201 0 1 HIAF O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(OCCC3(O)CCCCC3)c12 85569501 UQXZPQZQTMIXKX-UHFFFAOYSA-N 412.438 4.041 0 1 HIAF biogenic,in-vitro COc1cccc(O[C@@H](C)C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1OC 95604468 GMAPNQAGUQCFQS-AWEZNQCLSA-N 419.437 4.313 0 1 HIAF COc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3F)cc2)cc1 100092363 GRHSCRKGJUIMLU-BKFWDETESA-N 417.484 4.473 0 1 HIAF COc1cccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1 113387561 QCYZWZQAUQXIEC-UHFFFAOYSA-N 411.469 4.111 0 1 HIAF COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2[C@@H](CCC[C@@H]2c2ccccc2)C1 169365894 SOGJYZZBYBPOFE-XGHQBKJUSA-N 413.949 4.419 0 1 HIAF COc1ncc(Cl)cc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 220078769 XRSLSCDBAUDAGF-UHFFFAOYSA-N 408.767 4.164 0 1 HIAF CCC[C@H]1CC[C@@H]([C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H]3N=C(CCCCC(=O)OC)C[C@@H]32)CC1 299841546 UQEOPLABKYFAJH-SXFQMNBESA-N 419.606 4.454 0 1 HIAF investigational Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)cc1 586930860 IMBNARDMUCPSAC-UHFFFAOYSA-N 412.902 4.412 0 1 HIAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586931654 HZZKOZCBOXMEKU-UHFFFAOYSA-N 423.494 4.185 0 1 HIAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc3c(c2[nH]1)CCCC3 586945461 FXKVQVYPGICILU-UHFFFAOYSA-N 413.524 4.242 0 1 HIAF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cccc(O)c3[nH]2)ccc1Cl 586963563 MXTQBSBVMKDZKG-UHFFFAOYSA-N 413.890 4.053 0 1 HIAF CCOC(=O)C[C@H](C(=O)CC)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586989411 HXUXOJCITNNNBJ-MRXNPFEDSA-N 417.461 4.476 0 1 HIAF CN1CCN(c2ccc3nc(-c4ccnc(SCC(F)(F)F)c4)[nH]c3c2)CC1 587092238 BKLSFDMYIIUVDC-UHFFFAOYSA-N 407.465 4.031 0 1 HIAF COc1nccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 587120334 YTNMOJDGXAZLIY-UHFFFAOYSA-N 410.359 4.362 0 1 HIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(OC)nc4[nH]3)cc2)cc1F 587148024 XZHUQMQCKWWUGI-UHFFFAOYSA-N 404.445 4.113 0 1 HIAF CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)cc2[nH]1)C[C@H]1CCCO1 587196760 WMDLOZUTXZZQRM-CYBMUJFWSA-N 410.312 4.242 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Br)cc(F)cc21 587472427 QKBJTUDJKZYLPC-IBGZPJMESA-N 420.234 4.059 0 1 HIAF CCCn1cc(Cl)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587656958 NUPKIWQISSVDOF-UHFFFAOYSA-N 410.836 4.151 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2N2CCOCC2)N1 587723836 YRCQOHYQUHHHDD-BLVKFPJESA-N 423.301 4.188 0 1 HIAF COc1ccc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587739941 IRDVNQYQUXFBOQ-IHEKVJPJSA-N 419.338 4.450 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](NC(=O)OC(C)(C)C)C2)N1 587741041 FVUSHECBTDGQEM-MVBJNABHSA-N 413.331 4.395 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)NC(=O)OC(C)(C)C)N1 587756667 RVWDKGDRCKEAJT-ZUZCIYMTSA-N 401.320 4.467 0 1 HIAF COC(=O)[C@@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587808573 OODKYLNWWZKYMD-PKQAIAMASA-N 418.306 4.101 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)s2)N1 587850584 ZYUINXVFFXMOJY-ADLMAVQZSA-N 411.340 4.110 0 1 HIAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1Cl 653895464 VMPILXRUWAHARK-UHFFFAOYSA-N 421.280 4.221 0 1 HIAF COc1ccc2c(c1)[C@](C)(CC(=O)c1cnn(-c3ccccc3)c1O)N(C(C)C)CC2 962087494 FGDOIYZYKDRQOO-VWLOTQADSA-N 419.525 4.341 0 1 HIAF CN1C(=O)C[C@H]2CN[C@](C)(c3c(-c4ccccc4)nn(C)c3Cl)c3cccc1c32 963031596 REKFWUAQCNFGOT-WNSKOXEYSA-N 406.917 4.057 0 1 HIAF Cc1ccc([C@@]2(c3c(N)sc(C)c3C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963472165 PCOOBFNVBZVAHQ-MHECFPHRSA-N 422.550 4.160 0 1 HIAF C[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1OS(=O)(=O)O 2356552764 BJLIZEUOFAZAFA-OTELFMOQSA-N 400.581 4.214 0 1 HIAF CC1=CC(=O)O[C@]1(O)C=C[C@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@H]3C(C)(C)CCC[C@@]32C)O1 2356653737 JDGXUUFIFAKRTF-ODQHFGPKSA-N 418.574 4.276 0 1 HIAF COC(=O)N1CCCC[C@H]1c1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)no1 61896844 MKAFJKFIAJLVAT-HNNXBMFYSA-N 412.273 4.205 0 3 HIAF C[C@@H](NC(=O)CCCN1C(=O)CSc2ncccc21)C12CC3CC(CC(C3)C1)C2 4913029 BBJSSLBMEQELNX-LRYXAPPNSA-N 413.587 4.022 0 1 HIAF O=C1C[C@H](c2ccc(O)cc2)c2ccc(O)c(C(=O)CCc3ccc(O)cc3)c2O1 13382652 YSYWPWCXPKWOIK-LJQANCHMSA-N 404.418 4.060 0 1 HIAF biogenic CC(=O)OCC1=C[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C(C)C)=C3[C@@H]2C[C@H]1OC(C)=O 13413245 VTVZSBYDYBCNCU-BVETWUGGSA-N 404.547 4.341 0 1 HIAF biogenic O=C(O)C[C@@](O)(CSCCCC/C=C\c1ccc(Cl)cc1Cl)C(=O)O 13758178 QIPBDFRVBPUFTR-MAVJXHJTSA-N 407.315 4.201 0 1 HIAF C[C@](O)(c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26007486 DBNSJQYHNPJTNN-ROUUACIJSA-N 412.704 4.034 0 1 HIAF COc1cc(-c2nnc(Sc3ncnc4ccccc34)s2)cc(OC)c1OC 28819719 JXFCJYXDWVYEOK-UHFFFAOYSA-N 412.496 4.325 0 1 HIAF CC[C@H]1CC2(C[C@@H](CC)N1)C(=O)N(CCc1ccccc1)C(=O)N2c1ccccc1 28971295 QXIBZXMYFNEWGV-KEVCNVLYSA-N 405.542 4.377 0 1 HIAF CCCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1 66102746 XHRJZEOBDDVMLG-UHFFFAOYSA-N 405.410 4.007 0 1 HIAF O=C(c1ccc(F)cc1)c1cc2c([nH]1)C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2 73295646 GMUIIXHFDSJPCW-JWQCQUIFSA-N 418.512 4.093 0 1 HIAF O=C(NCc1ccccc1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc(F)cc2)cs1 82192229 ICXAKSMDWDOEEP-IBGZPJMESA-N 421.501 4.012 0 1 HIAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccccc3)cc12 96908221 JZOCGPUEPAWZNC-UHFFFAOYSA-N 406.530 4.416 0 1 HIAF N#Cc1cccnc1N1CCc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2CC1 137700896 BAGUEGFKMVEFSF-UHFFFAOYSA-N 410.403 4.111 0 1 HIAF COc1ccc(/C=C/C(=O)O[C@@H]2CCC(C)(C)[C@@H]3C=CC4=C(COC4=O)[C@]32C)cc1 138246908 QUYNMBZRMCYARM-BRWGWCLTSA-N 408.494 4.486 0 1 HIAF CCOC(=O)[C@H]1C(C)=NC(=O)N(C)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 169729867 XFYUVWXNUSVPAY-LEWJYISDSA-N 410.470 4.021 0 1 HIAF Cn1nc2c(c1-c1ccncc1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 225980769 NBBMQMOBCCQIDF-UHFFFAOYSA-N 420.822 4.353 0 1 HIAF Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c1 253837794 XJARKGGVDJGJMK-KDURUIRLSA-N 403.530 4.157 0 1 HIAF CN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cc(=O)c(O)cn1C1CC1 299837236 JSJYTBSWIDVQPG-UHFFFAOYSA-N 412.921 4.024 0 1 HIAF CCSc1c(C(=O)N2CCOCC2)cnc2ccc(OCc3ccccc3)cc12 584905656 INDSTSRQMXNXSG-UHFFFAOYSA-N 408.523 4.398 0 1 HIAF in-vitro COc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1F 586936139 HKVGGKMUFKKAJR-QGZVFWFLSA-N 411.886 4.040 0 1 HIAF O=S(=O)(N[C@H](c1ccccc1)c1nc2cccc(Cl)c2[nH]1)c1ccc(F)cc1 587169758 JWLYSVQHUMBRIX-GOSISDBHSA-N 415.877 4.423 0 1 HIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)cc(C)c3N)nc2c1 587250330 MYKVTOUWVDTZET-UHFFFAOYSA-N 404.264 4.068 0 1 HIAF C[C@]1(CC(=O)Nc2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329874 AVUHJGIVDZCFLB-FYYLOGMGSA-N 406.413 4.073 0 1 HIAF COC(=O)C[C@@]1(C2CC(F)(F)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334556 OZWJGLBZQASZIR-KNQAVFIVSA-N 420.383 4.237 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CNC(=O)OC(C)(C)C)cc1F)O2 587384474 DZISHJBNFWENOT-LJQANCHMSA-N 400.450 4.448 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc(Cl)cc2)nn1 587551973 LVNFORAUUDRZGP-SIKLNZKXSA-N 419.824 4.329 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Br)ccc1F 587570751 XTEAFXLALXFLCR-BEFAXECRSA-N 416.202 4.392 0 1 HIAF CCn1ncc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)c1C 587623045 XKIQUDBIDZDMDO-UHFFFAOYSA-N 422.233 4.446 0 1 HIAF C/C(=C\[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587739202 GNUUIFOHXFYPQD-DJWNQLJPSA-N 404.327 4.226 0 1 HIAF COc1ccc2c(c1)nc([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)n2C 587760602 ZBSPVCFGQVEAGR-MLCYQJTMSA-N 404.283 4.107 0 1 HIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 587787713 WCLKJBHCIZEKPL-KBPBESRZSA-N 418.234 4.111 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](C(=O)O)(C3)C1 587825158 BLSBQLCMKKYNGD-ZWDZNKSQSA-N 408.311 4.229 0 1 HIAF CCCNc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587854389 TWNKCIMOXXQJEX-XTZNXHDOSA-N 412.372 4.973 0 1 HIAF Cc1c(F)ccc2c1[C@H]([C@@H]1[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]1C3)NCC2 962089048 FPQOONNKKHYSAB-IZVJSRMBSA-N 406.501 4.438 0 1 HIAF CN(C)c1cccc(Cl)c1[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962658352 CNMLEYZYWAMLDC-OFNKIYASSA-N 409.917 4.142 0 1 HIAF Cc1ccc([C@]2(c3ccc(OC(C)C)cc3)c3ccsc3CCN2C(N)=O)nc1 962713970 QCSATSWDLHMJSG-QHCPKHFHSA-N 407.539 4.467 0 1 HIAF COc1ccc([C@]2(c3ccc(F)cc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963038731 ZUCOVCOUKFNLGM-CPJLOUKISA-N 402.469 4.180 0 1 HIAF CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(-c2[nH]c(C)c3c(O)nncc23)c1 1772652880 YYFWVXHZOKCWDD-UHFFFAOYSA-N 424.482 4.193 0 1 HIAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1OC)O[C@](C)(CC)C=C2Cl 1857616274 MWWWWJZXLKNAMH-WIYYLYMNSA-N 420.893 4.027 0 1 HIAF CC[C@@H]1O[C@H](OC)[C@@](C)(C=CC=CC=CC=Cc2oc(=O)cc(OC)c2C)[C@@]1(C)O 2356717801 XJLVGLQWWKSJQC-XGAJZPNHSA-N 416.514 4.177 0 1 HIAF O=C1N[C@H](Cc2ccccc2)c2nc3cc(Cl)ccc3c(=O)n2-c2ccccc21 61949334 XTPRNCAUEKRMLQ-LJQANCHMSA-N 401.853 4.066 0 3 HIAF Cc1cccc(C)c1NC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccc1 95570897 ORCULEGJWJQIRC-DEOSSOPVSA-N 400.478 4.404 0 3 HIAF CC(=O)O[C@H]1CCC(C)(C)[C@H]2CC[C@]34C=C[C@](CO)(C3)[C@H](OC(C)=O)C[C@H]4[C@]12C 6948255 WRLNWJQBFVMEKW-HSWPYSAYSA-N 404.547 4.031 0 1 HIAF CC[C@H](Cc1ccc(OC)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1)C(=O)O 12358308 VJMQPSAWRWCRIL-MRXNPFEDSA-N 423.431 4.340 0 1 HIAF CCN(CC)CCCOc1ccc(S(=O)(=O)c2c(C)cn3ccccc23)cc1 13451397 PHXDYXWVUUCIIL-UHFFFAOYSA-N 400.544 4.191 0 1 HIAF c1cc2c(c(N3CCN(CCCCCc4c[nH]c5ccccc45)CC3)c1)OCCO2 13674813 UIIYRSHAVQCSGP-UHFFFAOYSA-N 405.542 4.474 0 1 HIAF CCc1cc(-c2ccc3c(c2)C[C@@H](CC(=O)NCc2cccnc2)C3=O)ccc1O 29123415 LAQWQHUNZZCYEC-NRFANRHFSA-N 400.478 4.078 0 1 HIAF Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)O)n2ccnn2)cc1 34231960 XKEQYIWVQUGPSH-JOCHJYFZSA-N 416.481 4.285 0 1 HIAF COc1cc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc(OC)c1OC 36338675 UHZNIUQYBFSJGH-UHFFFAOYSA-N 407.470 4.159 0 1 HIAF CC[C@H](C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2c(n1)N(C(C)C)CN2 70719243 NIOYZQFWTBLLCD-XJKSGUPXSA-N 404.946 4.290 0 1 HIAF COc1ncccc1[C@@H](OC1CN(C(=O)N2CCCCC2)C1)c1ccc(Cl)cc1 73279814 VDEYZZWPCLNWLU-FQEVSTJZSA-N 415.921 4.140 0 1 HIAF COCCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(F)cc1 82136230 GRIPVKUUOOICCA-UHFFFAOYSA-N 400.498 4.041 0 1 HIAF CCCCCNc1ncnc2c1nc(-c1ccccc1)n2CCCN1CCCC1=O 82186146 OFBRZZFATOHQPO-UHFFFAOYSA-N 406.534 4.108 0 1 HIAF C[C@@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82211917 MQOQUJONIQLGOG-QGZVFWFLSA-N 418.541 4.190 0 1 HIAF Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4nnnn4C=N[C@H]32)cc1 98083199 KVUHESOFOLRHJU-UPVQGACJSA-N 404.477 4.370 0 1 HIAF Cc1ccccc1-n1ncc2c1C(C)(C)CCN(C1[C@H]3CC4C[C@H]1CC(O)(C4)C3)C2=O 101668460 MKPLGVXEMMRGTK-CSIGTHSRSA-N 419.569 4.244 0 1 HIAF CCC/N=c1\c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(O)oc2ccccc12 102796808 JICZTXRIPLPRLS-ATJXCDBQSA-N 412.511 4.129 0 1 HIAF S=C1N[C@H](c2ccc(Cl)cc2)[C@H]2CNC/C(=C\c3ccc(Cl)cc3)[C@@H]2N1 103231032 PZPVJFQTDWDACU-YYIDZPINSA-N 404.366 4.184 0 1 HIAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccncn4)ccn23)c1 147017200 OBIGQHHQWHGMBR-UHFFFAOYSA-N 412.375 4.142 0 1 HIAF O=C1C[C@H](c2coc3ccccc3c2=O)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1 169299932 IDRNOGGTOOLXSI-BHIFYINESA-N 402.494 4.167 0 1 HIAF Cc1cc2ccccc2n1CCNC(=O)/C=C/c1ccc(OCCCN(C)C)cc1 169348263 WNRIBLHYTOPIKK-SDNWHVSQSA-N 405.542 4.110 0 1 HIAF O=C(O)CCc1ccc(-c2ccc3nc(C(=O)NCc4ccc(F)cc4)cn3c2)cc1 299823654 SDMGOPUIZLXHIM-UHFFFAOYSA-N 417.440 4.088 0 1 HIAF COc1ccc(C(=O)NC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1OC 299830534 NXFZIOJYKRGWJS-UHFFFAOYSA-N 416.437 4.209 0 1 HIAF COc1cc(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cc2N)cc(OC)c1OC 299833063 NNUDZSBFWBBRKN-UHFFFAOYSA-N 414.408 4.492 0 1 HIAF O=c1c(-c2nc3cc(F)c(F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 587006784 PANRCAAUJNZDJW-UHFFFAOYSA-N 416.225 4.481 0 1 HIAF O=C(Nc1nc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cs1)c1cccs1 587019421 LXNFFLGSGZDAMA-UHFFFAOYSA-N 412.496 4.085 0 1 HIAF Cc1onc(-c2nc3nc(Br)c[nH]c-3n2)c1COc1ccccc1Cl 587063742 UUTQHMPUUIPZTE-UHFFFAOYSA-N 420.654 4.263 0 1 HIAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cnc(Cl)[nH]c-3n2)cc1 587165271 OCIUSICJGBPXTE-UHFFFAOYSA-N 419.851 4.434 0 1 HIAF COc1cccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 587167015 DUTMXNMLIUQZQY-UHFFFAOYSA-N 403.460 4.240 0 1 HIAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 587230898 JQTDGIGEWBQKMG-QWHCGFSZSA-N 401.454 4.211 0 1 HIAF C[C@@]1(COC(=O)c2ccccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340817 WYDJDISSKNKBIN-QPPBQGQZSA-N 421.424 4.088 0 1 HIAF C[C@]1(CN2Cc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342205 ZSNNCOJRSXGAES-RCZVLFRGSA-N 417.436 4.305 0 1 HIAF C=C1NC(C)=Cn2nc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 587347132 OIBJOVKRMVGLHL-LADGPHEKSA-N 417.440 4.394 0 1 HIAF CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)n1 587556975 PPBWQWOUMFHEFU-MAUKXSAKSA-N 404.344 4.330 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)oc3ccc(F)cc3c2=O)N1 587729317 GYFUZTJAXJYHBM-WNWIJWBNSA-N 421.241 4.040 0 1 HIAF CCCOc1ccccc1[C@]1(CN)N[C@H](C)Cc2ccc(F)c(Br)c21 587750134 RRHMBAYTRQFNNZ-XCLFUZPHSA-N 407.327 4.114 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccncc3)CC2)N1 587765431 CDGRJLSPVWFSMP-AWEZNQCLSA-N 404.327 4.009 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2N2CCOC2=O)N1 587768047 SOMUJYROVJBCOA-FKIZINRSSA-N 419.294 4.343 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)sc3c2CCOC3)N1 587856198 WSBBECQIGSMJAA-YYSFKGJASA-N 411.340 4.102 0 1 HIAF Clc1ccc(Cn2cc(CN=c3c4c([nH]c5ccccc35)CCCC4)nn2)cc1 1772618619 OZXIGLKISXJFGY-UHFFFAOYSA-N 403.917 4.441 0 1 HIAF Cc1nn(Cc2ccc(-c3nc4cc(Cl)ccc4n3C)cc2)c(C)c1CC(=O)O 1772643838 LFLXSAVFWUIIQO-UHFFFAOYSA-N 408.889 4.382 0 1 HIAF COC(=O)C1=CO[C@H](C)[C@]2(C)CN3CCc4c([nH]c5ccc(OC)cc45)[C@@]3(C)C[C@]12C 2356517033 UHDJCSZGZJGMDR-OCMIMPLTSA-N 424.541 4.142 0 1 HIAF O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)on1 61906528 FXJNNWJPDWJYEF-SFHVURJKSA-N 413.493 4.030 0 3 HIAF CC(=O)Nc1cccc(NC(=O)C[C@]2(C)N=C(c3ccc(C(C)C)cc3)N(C)O2)c1 205213040 YDXBSNLPXIRCAR-HSZRJFAPSA-N 408.502 4.137 0 3 HIAF CN(Cc1ccccc1)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 2500040 ZEPDDSLBDPTNLM-UHFFFAOYSA-N 402.523 4.388 0 1 HIAF CN(CCc1ccccc1)C(=O)Cc1cc(OCc2ccccc2)ccc1C(=O)O 13758639 GUTRZMALLIWWMQ-UHFFFAOYSA-N 403.478 4.207 0 1 HIAF CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCCN)c1ccccc1 36184654 QJBOHADGMLFYLD-QFIPXVFZSA-N 400.473 4.129 0 1 HIAF O=S(=O)(Nc1nccs1)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 40423076 NGAYTPQETINQLO-UHFFFAOYSA-N 424.960 4.406 0 1 HIAF c1nc(N2CCC(N3CCCC3)CC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 64675883 QBYRAKMIONRGTM-UHFFFAOYSA-N 402.498 4.090 0 1 HIAF CCCC[C@H](CC)CNc1nc(N2CCC(O)CC2)nc2cc(OC)c(OC)cc12 82136507 UGKGNKUMDCZAFU-INIZCTEOSA-N 416.566 4.236 0 1 HIAF CCCc1nc2c(NCCc3ccccc3F)ncnc2n1CCN1CCCCC1 82180972 JUGKGVUBENZTNW-UHFFFAOYSA-N 410.541 4.058 0 1 HIAF C[C@H](NC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)c1ccccc1 100596193 DNBSIUOZUWKDAY-VICSCYKQSA-N 420.347 4.141 0 1 HIAF OC1=C2C(=Nc3ncnn3[C@H]2c2cc(Br)ccc2OC(F)F)CCC1 104060027 SJABBBCVOLHQSO-AWEZNQCLSA-N 411.206 4.314 0 1 HIAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 104556965 ZAHNDAGNFYIZGM-OVAKBDNTSA-N 404.595 4.166 0 1 HIAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)NC[C@]4(C)[C@H]3CC[C@]12C 169370592 SLZJMEMEWDUTRZ-CLKHMLALSA-N 403.611 4.127 0 1 HIAF Cc1c2c(c(CN)c3c4ccccc4n(COCC[Si](C)(C)C)c13)C(=O)N(C)C2=O 169857909 NBGLJEIQSXOTSI-UHFFFAOYSA-N 423.589 4.100 0 1 HIAF O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1nnc2ccccc21 299832559 JUHJGIJJCBPJTA-UHFFFAOYSA-N 413.481 4.010 0 1 HIAF O=C1COc2cc3[nH]c(-c4ccc(F)c(-c5ccc(C(=O)O)c(F)c5)c4)nc3cc2N1 587138675 PRXMJRSJGIMKTM-UHFFFAOYSA-N 421.359 4.204 0 1 HIAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 587154849 SSJPKPNVCAJEKZ-UHFFFAOYSA-N 402.838 4.218 0 1 HIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)nccc2[nH]1 587180568 GUZCVHOYRGNNQG-SSDOTTSWSA-N 401.639 4.050 0 1 HIAF COc1cc(OC)c2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2c1 587197995 CWCWHXREYSKAPD-UHFFFAOYSA-N 402.454 4.106 0 1 HIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(C)(C)C 587205224 NYCKJROWYHYXBU-QMMMGPOBSA-N 421.851 4.459 0 1 HIAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)cc(Cl)c2[nH]1 587225425 QRWLVLQNQRMFRH-JTQLQIEISA-N 408.683 4.063 0 1 HIAF COC(=O)c1ccc(Oc2ccc3nc(-c4ccc(CC(=O)O)c(N)c4)[nH]c3c2)cc1 587250676 WEECYLARCKMMIZ-UHFFFAOYSA-N 417.421 4.018 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1C(=O)OCC)CC2=O 587474993 JLMIYBADYRQKAF-OAQYLSRUSA-N 420.465 4.414 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 587484949 HHWNUDOIJCUQFT-HBAYXTBCSA-N 401.503 4.326 0 1 HIAF O=C1C[C@H](c2ncc(I)s2)Oc2c1ccc1c2CCCC1 587501205 BKJIGRVRWOPGRC-CYBMUJFWSA-N 411.264 4.333 0 1 HIAF COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587594910 PUDSNOCONOTHBL-OFNKIYASSA-N 408.406 4.121 0 1 HIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nncc(-c2ccccc2)n1 587657336 UJYFCBNRMRMIAI-UHFFFAOYSA-N 413.387 4.183 0 1 HIAF CCOC(=O)C[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587727224 BDPSLWFGBRXPBI-YUNKPMOVSA-N 424.285 4.458 0 1 HIAF COc1ccccc1-n1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587760727 QDRVTPCQZSKVAE-YUNKPMOVSA-N 416.294 4.406 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cnccc12 587780272 ZRNXQEUOUYNXDB-IPQOISQHSA-N 423.285 4.354 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc3ccccc3c12 587792651 LVTUBVPALLZHQM-FIKIJFGZSA-N 411.274 4.471 0 1 HIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1OCCO 587796393 KDSZUFXLNHANCP-ORAYPTAESA-N 408.311 4.200 0 1 HIAF COC(=O)CC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807222 LMQODVFXOAETFD-RBZFPXEDSA-N 406.295 4.319 0 1 HIAF COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)cc(C)c2-n2c(C)nnc21 653702287 OCEYNNPVIQGXNM-SFHVURJKSA-N 424.888 4.001 0 1 HIAF CCCOc1ccc([C@@H]2NCCc3c(C(=O)O)cccc32)c(OCc2ccccn2)c1 963120543 JNMMSDOZTLGRMA-XMMPIXPASA-N 418.493 4.383 0 1 HIAF C[C@@]1(c2ccc(N)cc2Cl)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963184694 SWSXQQHAPXWEBT-GUYCJALGSA-N 419.230 4.457 0 1 HIAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CNC1CCCCC1 1772593508 OWOLOWXQNGINNU-WQRHYEAKSA-N 410.493 4.124 0 1 HIAF Cc1ccc2nc(NC(=O)c3ccccc3C(F)(F)F)c(C(=O)NCC(C)C)n2c1 1857603578 PDOQKZVZJVDZIJ-UHFFFAOYSA-N 418.419 4.300 0 1 HIAF O=C1[C@@H](c2ccccc2)CCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857766903 NVTOSHDAHDXEDR-VQTJNVASSA-N 420.459 4.450 0 1 HIAF COc1cc(OC)c2c(c1)O[C@]1(c3ccccc3)[C@H](c3ccccc3)C[C@@H](O)[C@]21OC 2356570523 LPOCCMXPFMBZCP-HCBGRYSISA-N 418.489 4.382 0 1 HIAF CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 773638 DAYMPGBMXHROBG-CQSZACIVSA-N 406.816 4.441 0 1 HIAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCC(C)(C)CO 4273904 UPSDQAPCJSABDM-SFTDATJTSA-N 404.551 4.234 0 1 HIAF CN(C(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCCC1 13725636 PTEGEICPLYKICS-UHFFFAOYSA-N 410.518 4.135 0 1 HIAF CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)Nc1ccc(OC)cc1)CC2 13817451 HCFPIWITAFMQSV-INIZCTEOSA-N 409.530 4.484 0 1 HIAF CCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832266 LBFIPUDXMOHGLM-UHFFFAOYSA-N 424.464 4.192 0 1 HIAF CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)N(C)C[C@@H]2C)cc1 22939636 SZURCNILRMZXHN-OHUGHZGNSA-N 423.601 4.291 0 1 HIAF CCc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26577678 DUSFGIDEUSUPMA-HXUWFJFHSA-N 422.506 4.420 0 1 HIAF Cc1nc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)nc(C)c1Br 40940443 YAMINYIBKLJXNV-CQSZACIVSA-N 416.703 4.427 0 1 HIAF OCCN1CCN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CC1 45202102 WRMHJBXEWKMEGK-UHFFFAOYSA-N 412.537 4.007 0 1 HIAF NCC1(CNc2nc(Nc3cccc(F)c3)nc(-c3cccc(F)c3)n2)CCCC1 45369340 ITDYLXXVRXJYOK-UHFFFAOYSA-N 410.472 4.491 0 1 HIAF Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CC(F)(F)C3)cc3c(nc(C)n3C)c2O1 49088992 SWHOPSBMILZQEO-IBGZPJMESA-N 411.452 4.348 0 1 HIAF CN(c1nc2cc(F)ccc2o1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 72317225 MSLWJGPYVYIMHV-AWEZNQCLSA-N 411.408 4.139 0 1 HIAF O=C1C[C@H](c2coc3ccccc3c2=O)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1 96929586 IDRNOGGTOOLXSI-BHDDXSALSA-N 402.494 4.167 0 1 HIAF CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(F)cc4)ncnc32)CC1 103259073 SYEAFCMKDODZGA-UHFFFAOYSA-N 413.453 4.330 0 1 HIAF CC(=O)OC[C@@]1(c2ccccc2)C[C@@H]1CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 169366997 OHPDVFPNOSPJJV-DIAQCFDZSA-N 419.565 4.437 0 1 HIAF COC(=O)C1=C[C@H](OC(C)=O)C[C@@H]2[C@@](C)(CC/C(C)=C/C(=O)O)[C@H](C)CC[C@@]12C 238735996 JYKSXPOWBJQKQL-ONSNFQCFSA-N 406.519 4.291 0 1 HIAF O=c1sc2ccccc2n1CCCCN1CCN(c2cccc(Cl)c2)CC1 299825897 LLOBFQZXDJVJPB-UHFFFAOYSA-N 401.963 4.319 0 1 HIAF COC(=O)COc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989750 QDLBCKGCDPFSJI-UHFFFAOYSA-N 411.413 4.371 0 1 HIAF Fc1ccc(-n2nnc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2C2CC2)cc1 587168714 NEUNCIQNKLVNNU-UHFFFAOYSA-N 423.761 4.241 0 1 HIAF CCOC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587332794 BDDJYNKVJDFLRI-XUZZJYLKSA-N 421.424 4.377 0 1 HIAF CN(C)/C=C/[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341937 ZUYJENHJHDWQTN-YMURLFRNSA-N 404.441 4.256 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1COC3(CCCCC3)N1C(=O)OC(C)(C)C)O2 587394236 RIVZDWVYSGIHBP-IEBWSBKVSA-N 416.518 4.207 0 1 HIAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](NC(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O 587433948 XQNTYQVICQVMDP-YIGJPRQDSA-N 407.466 4.050 0 1 HIAF CCOC(=O)Cn1c(C)cc2c1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587515411 MLCHUSLHTLVQMG-RUZDIDTESA-N 407.510 4.435 0 1 HIAF COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc(C)cc4)[nH]c3c2)cc1 587565836 VMPVEKIQBOUZTH-UHFFFAOYSA-N 423.494 4.260 0 1 HIAF COc1ccccc1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655591 AKXPLNLXYNXQLF-UHFFFAOYSA-N 406.388 4.233 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2C[C@H]2C(=O)O)N1 587828653 UQJLRYCWTBZRMI-GGEUHJLKSA-N 404.279 4.087 0 1 HIAF COc1cccc2c1OCC[C@@]21c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962636717 OHZLYBVHRTYTCM-AJTFRIOCSA-N 412.533 4.468 0 1 HIAF C[C@@H](CC(=O)O)C[C@]1(c2cccc3ccccc23)N[C@H](C(=O)O)Cc2cccc(F)c21 962915361 VLAJJXAOIJIVBO-HHCYOLOASA-N 421.468 4.322 0 1 HIAF COC(=O)C1=C[C@@]2(NCCc3c(Cl)cc(Cl)cc32)c2cc(Cl)ccc2O1 963125327 UBSZGXVHWJVRST-IBGZPJMESA-N 410.684 4.485 0 1 HIAF Cc1[nH]c2ccccc2c1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963134163 CWJICYCSZMZTAF-NVXWUHKLSA-N 413.499 4.269 0 1 HIAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)[C@H]2[C@](O)(C(C)C)CC[C@]21C 2356331971 XGDKDBPCTUJBNO-XEBLDREYSA-N 416.514 4.003 0 1 HIAF CC=C(C)[C@@H]1[C@H](C=CC=C(C)[C@H](O)[C@H](C)C(=O)O)[C@@H]2CC=C(C)C[C@H]2C(=O)[C@]1(C)O 2356827684 IOLXKDOORRFLDI-GFYUIIJASA-N 416.558 4.075 0 1 HIAF CCCCN(C)C(=O)c1ccc(Nc2nc([C@@H](N)Cc3ccccc3)cs2)nc1 61907774 KEYLYKKEADUEOA-SFHVURJKSA-N 409.559 4.396 0 3 HIAF CCn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610423 RZOFEWOHNOOHND-UHFFFAOYSA-N 400.486 4.342 0 1 HIAF Clc1cccc(Nc2cncc(-c3cncc(NCCCN4CCOCC4)c3)n2)c1 13648400 ILIYEHQBHWMGTJ-UHFFFAOYSA-N 424.936 4.070 0 1 HIAF CN(C)[C@H]1CCN(c2ccc(NC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)C1 28123207 HLIYKYSYTAZOKU-FQEVSTJZSA-N 411.505 4.291 0 1 HIAF CN(C)CCCn1c(CN2CCC[C@@H]3CCc4cccnc4[C@@H]32)nc2ccccc21 36486549 RIBOGSNJCBYELS-CJFMBICVSA-N 403.574 4.283 0 1 HIAF O=S(=O)(c1ccc2c(Cl)cccc2c1)n1c2c(c3ccccc31)CCNCC2 40936369 TUTVJSZDRKLJLW-UHFFFAOYSA-N 410.926 4.373 0 1 HIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc4c(c3)OCO4)C[C@@H]1O2 95556559 ZTJRGZBTXOQUQI-LFRPXUGBSA-N 409.482 4.047 0 1 HIAF Nc1sc2c(c1C(=O)NCc1cccc(Cl)c1)CCN(Cc1ccccc1)C2 96900082 YUUBMDDNBLGADF-UHFFFAOYSA-N 411.958 4.472 0 1 HIAF Cc1ccc2oc(=O)c3c(c2c1)NC(=S)N[C@H]3c1cccc(Br)c1 96931734 LBEOLDOAENQDRR-HNNXBMFYSA-N 401.285 4.253 0 1 HIAF O=C(NCc1ccccc1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 115655887 AZCCTENOQRXVIN-XMMPIXPASA-N 417.896 4.222 0 1 HIAF Cc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1 169692339 RISPKVKBGICOLK-SJORKVTESA-N 422.487 4.415 0 1 HIAF COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc2sccc2c1 169695613 WXLKBHGQJVVUQB-PMACEKPBSA-N 407.491 4.408 0 1 HIAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H]2OC[C@@]2(CCCc2ccccc2)C[C@@H]3[C@@H]1C5 195257777 AFNNIVJCAOZVSR-KVTJPUDMSA-N 417.549 4.079 0 1 HIAF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nnccc2N)cc1 474609019 NPYXXORYEHHBOI-UHFFFAOYSA-N 416.934 4.478 0 1 HIAF O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)nc2[nH]1)c1ccccc1 587219643 OPJKSFXRXRARHJ-QGZVFWFLSA-N 407.271 4.240 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(-c4cccnc4)ncc31)CC2=O 587491977 VJUZPUIZJSIJDR-XMMPIXPASA-N 401.466 4.394 0 1 HIAF O=Cc1c(F)c(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1F 587555394 KUECIGHLPNOVOH-LHSJRXKWSA-N 418.298 4.464 0 1 HIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3Cl)c(CC3OCCCO3)c2c1 587648719 GKUNSZWBCQCQGY-UHFFFAOYSA-N 405.903 4.197 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cn3cccn3)c2)N1 587755479 AAGQFBWLJDWJJH-XCLFUZPHSA-N 400.295 4.457 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O[C@H](C)C(=O)O)cc2)N1 587789788 DLLTYRHGPJOWBL-HTGLOVNISA-N 422.294 4.238 0 1 HIAF CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792034 OAOZUGPYGXHZEQ-UGZDLDLSSA-N 409.299 4.283 0 1 HIAF O=C(O)c1cc(-n2c(O)cc(-c3ccc(Cl)cc3)c2O)c(Br)cn1 587939846 MMTOJIJFFMFXHE-UHFFFAOYSA-N 409.623 4.065 0 1 HIAF COc1ccc2nc(N3CCC[C@H](C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)C3)sc2c1 618005111 XSHLMYLYOHEJJI-UIBIWLFHSA-N 401.576 4.462 0 1 HIAF Cc1cc(O)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 653702265 JISINZDFNCFBNN-UHFFFAOYSA-N 422.535 4.422 0 1 HIAF Cc1ccn2c([C@@]3(c4ccc(Cl)cc4)NCCc4nc5ccccn5c43)cnc2c1 962983361 LCOVHKWYQMXNSS-XMMPIXPASA-N 413.912 4.381 0 1 HIAF C[C@@]1(c2ccc(S(C)(=O)=O)c(F)c2)c2ccsc2CCN1Cc1cccnc1 962996161 HGVUDOXSDMRFOH-OAQYLSRUSA-N 416.543 4.008 0 1 HIAF COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c(Cl)n1 963189548 WXLXYMRQBHEQGP-TZMCWYRMSA-N 421.202 4.104 0 1 HIAF CC1=CC2(C=C(C)N1CCCC(=O)O)c1cccc(Br)c1CCN2C 963268961 CAVKFFCNZCQRIW-UHFFFAOYSA-N 405.336 4.120 0 1 HIAF COc1ccccc1Cc1cc(C)nn([C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1=O 1857544486 LIAXSWIXVVSOGE-HNNXBMFYSA-N 411.889 4.004 0 1 HIAF Cn1c(COc2cc3c(s2)CC[C@@H](C(C)(C)C)C3)nnc1SCCC(=O)O 1857769488 KUKJPKZWBNVETG-CYBMUJFWSA-N 409.577 4.173 0 1 HIAF CN(Cc1ccccc1)C(=O)OCc1cn(Cc2ccccc2C(F)(F)F)nn1 203462440 BDIHNZWHXIBYHI-UHFFFAOYSA-N 404.392 4.114 0 3 HIAF Cc1cc(=O)oc2cc(OCc3nc4ccccc4c(=O)n3-c3ccccc3)ccc12 1628681 ACHBDNDMAZNYLJ-UHFFFAOYSA-N 410.429 4.380 0 1 HIAF C[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCC2=CCCCC2)C1=O 4972152 RLJSTYCSOSKNRM-IBGZPJMESA-N 415.537 4.266 0 1 HIAF O[C@H](CNCc1ccccc1OCc1ccncc1)c1cc(Br)cs1 14966921 PLWAYQZVPNTNGS-QGZVFWFLSA-N 419.344 4.308 0 1 HIAF COc1cccc([C@H]2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)c1 26179064 HZZKKMSFRUPAOX-JOCHJYFZSA-N 411.479 4.224 0 1 HIAF Cc1ccc(CNC(=O)Nc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C 28524063 SYTAKZNIBKDFJB-NHCUHLMSSA-N 403.482 4.081 0 1 HIAF COCCn1c(-c2ccc(OC)cc2)nc2c(NCCCc3ccccc3)ncnc21 82179774 PFJOZFSVJLQFFC-UHFFFAOYSA-N 417.513 4.193 0 1 HIAF O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1cccnn1)CC2 84709103 INPWWKFMSKGNEX-UHFFFAOYSA-N 421.504 4.237 0 1 HIAF O=C(Nc1cc(F)c(F)cc1C(=O)Nc1ccccc1C(=O)O)c1ccccc1F 84711844 RJCROQUNXSVMRW-UHFFFAOYSA-N 414.339 4.307 0 1 HIAF NCc1ccccc1C1(O)CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1 96318634 OVMRKPFMLHSDOF-UHFFFAOYSA-N 408.492 4.497 0 1 HIAF OCCOCCN1[C@@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 101009562 SPARNWYFZQKTHR-FGZHOGPDSA-N 417.496 4.075 0 1 HIAF O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1 103247973 IRNGVYZGPNAVHN-WOJBJXKFSA-N 400.906 4.224 0 1 HIAF Cc1nc(-c2ccccc2F)c(C(=O)N2CCN(c3cc(F)cc(F)c3)CC2)o1 103294233 NAWSMKVWKSQXPH-UHFFFAOYSA-N 401.388 4.030 0 1 HIAF Cc1cccc(-c2[nH]c(CNc3cc(F)cc(F)c3)nc2-c2ccc3ncnn3c2)n1 113390740 MFIQSIKORGZOQM-UHFFFAOYSA-N 417.423 4.380 0 1 HIAF CS(=O)(=O)c1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1 143156818 QSCGMEKWMHMVOY-UHFFFAOYSA-N 415.478 4.320 0 1 HIAF O=S(=O)(c1ccc([C@H]2CCO2)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 147543700 CNZKKZUHDSKSNZ-GOSISDBHSA-N 403.887 4.026 0 1 HIAF CC[C@@H](C)C(=O)O[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 169303672 PCZOHLXUXFIOCF-BOFQSFMPSA-N 404.547 4.196 0 1 HIAF CCN(CC)CCOc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nn2C)cc1 169312766 RICXAOXUMKUCST-UHFFFAOYSA-N 422.529 4.069 0 1 HIAF CCCCCc1ccc(-c2cn(CCCN3C(=O)COc4ccccc43)nn2)cc1 299820980 IYWMQBWDVHXIFV-UHFFFAOYSA-N 404.514 4.494 0 1 HIAF COc1cccc(-c2cc(=O)c3cc(Cl)cc(NC4CCOCC4)c3o2)c1N 299831082 NLDDBDJGWFUXIR-UHFFFAOYSA-N 400.862 4.295 0 1 HIAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 299885846 WDBSOFKIYJKKEL-SVPADUAOSA-N 406.526 4.322 0 1 HIAF CN1C(=O)[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21 586987399 ADNUNNCBVQARGO-QFIPXVFZSA-N 420.424 4.095 0 1 HIAF O=C1C[C@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)c2c(Br)cccc2O1 587001980 CUPIULLAXKMOHM-ZETCQYMHSA-N 411.177 4.378 0 1 HIAF O=c1c(-c2nc3ncc(Cl)cc3[nH]2)cc(Br)cn1Cc1ccccc1 587006479 LGMMBEHVHCTTIG-UHFFFAOYSA-N 415.678 4.251 0 1 HIAF COc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1OC 587116420 WFKFRMJYAFKYTN-UHFFFAOYSA-N 402.170 4.423 0 1 HIAF C[C@]1(c2nc3c(Br)cnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172672 JUHYJPCROGEJBN-MRXNPFEDSA-N 410.630 4.141 0 1 HIAF COC(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1OC 587243738 HSWIXKHSIPCRCT-UHFFFAOYSA-N 401.422 4.277 0 1 HIAF Cc1ccnc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587329655 ACKMQLYBVAGJJU-VWNXMTODSA-N 420.440 4.381 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(Br)cc1)CC2=O 587457035 DOKAEAROAWLOJP-LJQANCHMSA-N 405.244 4.053 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)nc(N2CCCC2)c1 587569057 KAWBRKUUVVPING-OFNKIYASSA-N 406.413 4.229 0 1 HIAF COC(=O)CC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572351 SFFKRXAMADGINI-QPPBQGQZSA-N 422.408 4.342 0 1 HIAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1OC 587589818 AMVYUDDVKSTMRJ-WZONZLPQSA-N 408.406 4.126 0 1 HIAF CCOC(=O)[C@@]1(c2ccc(C)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726411 XFZHCNNEPBSPPJ-YUNKPMOVSA-N 424.285 4.377 0 1 HIAF CC(=O)N(C)c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587744477 BITSDSJQAKCESC-YUNKPMOVSA-N 405.311 4.369 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(=O)n(C)c3ccccc23)N1 587771993 UWYNUNFIYZUQSD-GIPWTMENSA-N 401.279 4.064 0 1 HIAF CC(C)N1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587772880 XOFCRHUTRSJQGE-YUNKPMOVSA-N 403.295 4.121 0 1 HIAF COc1ccccc1[C@@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587804901 DBZPOFNBYWVJBA-MPBGBICISA-N 406.295 4.354 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)O)cc1 587859809 LYGUOCGXIHKAPZ-UHFFFAOYSA-N 413.282 4.492 0 1 HIAF C[C@@]1(CCc2ccc(F)cc2F)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962622061 APZSDZYJSMKMAM-BEFAXECRSA-N 415.358 4.310 0 1 HIAF CN1C(=O)C[C@H]2CN[C@](CCCCC(=O)O)(c3ccc(Cl)cc3)c3cccc1c32 963030557 QZHKTWRQVYSSFY-NPMXOYFQSA-N 412.917 4.282 0 1 HIAF CCN(CC)CCOc1ccc([C@H]2NCCc3cnc4c(OC)cccc4c32)cc1 963060787 WYQPOXCZDIFPQW-XMMPIXPASA-N 405.542 4.199 0 1 HIAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@@H]2c1ccncc1 1772610014 HJFSGSAQKHTGIY-HXUWFJFHSA-N 411.465 4.241 0 1 HIAF O=C(O)[C@H]1C[C@H]1COc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cn2)cn1 1857584176 JKCCOSPNBZCSBI-HOCLYGCPSA-N 420.856 4.440 0 1 HIAF CC(=O)Nc1sc2c(c1-c1nc3cc(-c4cnn(C)c4)ccc3s1)CCNC2 1857609665 HORWWQONCQGVFX-UHFFFAOYSA-N 409.540 4.029 0 1 HIAF COc1cc2c(cc1O)[C@H]1C[C@@H](C[C@@H]3CCCCN31)OC(=O)CCc1ccc(O)c-2c1 2356481121 DUKDUISHTJYQFV-CSODHUTKSA-N 423.509 4.321 0 1 HIAF CCC[C@@H]1CC[C@@H]2[C@H](CC[C@H](O)[C@@H]2CCCC[C@@H]2CC[C@@H]3[C@H](CC[C@H](O)[C@@H]3C)N2)N1 2356871580 YCENIDWJQBLCPN-OJXVDRNESA-N 420.682 4.382 0 1 HIAF O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 1902490 MVKXTLCCIMTCPB-QFIPXVFZSA-N 421.566 4.068 0 1 HIAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1N 26951568 BCKQSIZBCMVWRU-WWNUHHRHSA-N 407.558 4.121 0 1 HIAF CN1C(=O)[C@H](Cc2ccccc2Cc2ccccc2)NC(=O)c2cc(Cl)ccc21 40764053 PPNTUOWARRYFBM-NRFANRHFSA-N 404.897 4.248 0 1 HIAF O=C1N(Cc2cccc3ccccc23)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCO2 71333874 AQFQNIVKKMRDCY-SANMLTNESA-N 409.441 4.351 0 1 HIAF Cc1ccccc1Oc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1 72181681 ORUHPWOPDTWXMU-UHFFFAOYSA-N 412.493 4.172 0 1 HIAF COc1ccc(Br)c(-c2nnc3n2N[C@H](c2ccc(C)cc2)S3)c1 73298053 HXSWYGORRJZDOX-INIZCTEOSA-N 403.305 4.373 0 1 HIAF CCN(CC)CCCNc1nc(NCCC(C)C)c2cc(OC)c(OC)cc2n1 82130589 XJRKOCPRSBVLNS-UHFFFAOYSA-N 403.571 4.249 0 1 HIAF CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCc3cccc(F)c3)ncnc21 82181506 ZIXZHUUYBVKHCW-IBGZPJMESA-N 420.492 4.322 0 1 HIAF CC(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](C(C)C)N2 82206358 QKYVXNVSEFGWCX-OAQYLSRUSA-N 420.557 4.120 0 1 HIAF COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccc(F)cc3)cc2)cc1 100112786 NDPSIDQXQROANG-BKFWDETESA-N 417.484 4.473 0 1 HIAF CCOc1cccc(C2(N3CCN(c4cccc(OC)n4)CC3)[C@H]3CC(C)C[C@@H]32)c1 101685248 TUAILPCAUJWQFS-QYYKVDRLSA-N 407.558 4.182 0 1 HIAF O=C(O)[C@@H]1CCCN(c2cc(C(F)(F)F)nc3ccc(Br)cc23)C1 102756267 XETGRZBAQGVZIY-SECBINFHSA-N 403.198 4.317 0 1 HIAF c1ccc(-c2csc3ncnc(N4CCC[C@@H](OCCN5CCCC5)C4)c23)cc1 146440890 STPSLISAVQWZDS-LJQANCHMSA-N 408.571 4.440 0 1 HIAF CCN1C/C(=C\c2ccccc2OC)C2=NC(=S)N[C@H](c3ccccc3OC)[C@@H]2C1 169730320 XNCKAKVIVQPWFX-LGGLXIBXSA-N 421.566 4.109 0 1 HIAF COc1ccc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1 203003293 NBLKUQNFKYEZAQ-UHFFFAOYSA-N 415.295 4.204 0 1 HIAF COc1ccc(F)c([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)c1 221117105 TXVHVFNLLBOUJJ-WLJAHRKQSA-N 408.445 4.147 0 1 HIAF O=S(=O)(c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1)N1CCCC1 224794491 WJCHMLSALJNQLM-UHFFFAOYSA-N 422.485 4.216 0 1 HIAF CCS(=O)(=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587075715 JEKXKMHGCDTZST-LJQANCHMSA-N 403.935 4.347 0 1 HIAF Cc1cc(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144619 MCZXGWKJAKSBGL-UHFFFAOYSA-N 424.453 4.446 0 1 HIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC[C@H]4CCCCO4)c(F)c1)[C@@H](C2)C3=O 587425688 GIORLMOHGVLZHC-SDWUMEBZSA-N 412.457 4.445 0 1 HIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCCCOC)c1)CC2=O 587484609 STJIKNQVLRUNRR-NRFANRHFSA-N 400.471 4.475 0 1 HIAF CCCc1c(O)ccc2c1O[C@@H](C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587485755 KDZXLRUXXABFHX-GJZGRUSLSA-N 419.518 4.441 0 1 HIAF CC(C)N1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587594546 MUTBIQRXGXKZCX-GBXCKJPGSA-N 401.418 4.004 0 1 HIAF CCn1ncc([C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587724137 ZVLMYKFKPKBKIL-XYZCENFISA-N 402.258 4.156 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2ccccc2N)N1 587745694 GKAJSKFTEJSVIZ-ZSEKCTLFSA-N 412.306 4.392 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(CNC(=O)OC(C)(C)C)C2)N1 587755832 PLYHSAQDZPBLKB-UHOVJUMYSA-N 413.331 4.252 0 1 HIAF Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccccn1 587763525 JWQBPSNCECMPNJ-ODXCJYRJSA-N 415.310 4.275 0 1 HIAF COC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587803476 AYYUNVCTHMWPBE-CJAGKMTESA-N 404.279 4.026 0 1 HIAF COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)cc1 653861722 GBOJMLAQHKPOIU-UHFFFAOYSA-N 421.280 4.221 0 1 HIAF O=C1Nc2c(F)cccc2[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963832088 KTRPCQYMZQHNHB-VWLOTQADSA-N 413.452 4.227 0 1 HIAF CC(=O)N1CCN(c2ccc(CCc3cc(F)cc(-c4ccncc4)c3)cc2)CC1 1857649978 ZQXYJRUCSPIKLC-UHFFFAOYSA-N 403.501 4.341 0 1 HIAF COC(=O)C1=C[C@H](OC(C)=O)C[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)=CC(=O)O 2356466540 JYKSXPOWBJQKQL-FXNHOJHNSA-N 406.519 4.291 0 1 HIAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1ccc(-c2ccccn2)cc1 61904595 ADNCTURPYFHGLV-RUZDIDTESA-N 415.493 4.123 0 3 HIAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)c1 4036917 AFZQFMCFVQXPJT-ISKFKSNPSA-N 415.493 4.076 0 1 HIAF CCCC[C@@H](CC)COC(=O)C[C@@H](C(=O)OC[C@H](CC)CCCC)S(=O)(=O)O 8603035 HNSDLXPSAYFUHK-KURKYZTESA-N 422.584 4.152 0 1 HIAF CSc1nn(-c2c(Cl)cc(Cl)cc2C(F)(F)F)c2nc(C)[nH]c(=O)c12 13585082 KTEVVMFVQMNAET-UHFFFAOYSA-N 409.220 4.465 0 1 HIAF COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)c(Cl)c(OC)c(C)c1O2 14514495 GSOVLANTSDODFF-UHFFFAOYSA-N 406.818 4.399 0 1 HIAF biogenic COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H]1[C@H](O2)OC(C)(C)[C@@H]1OC(C)=O 14610775 XMJHOTVIJNLONQ-MDNUFGMLSA-N 422.433 4.011 0 1 HIAF biogenic Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1 22445272 RDRCWUAGNOMDCY-UHFFFAOYSA-N 412.537 4.288 0 1 HIAF COc1ccccc1N(C(=O)[C@H](C)OC)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C 26722842 DGHGOWMPBMIXER-ONTIZHBOSA-N 410.558 4.016 0 1 HIAF O=C1c2sccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)N1Cc1ccccc1 29124052 FYKXEJAWSCJUCH-UHFFFAOYSA-N 418.927 4.309 0 1 HIAF CN1CCC[C@@H](Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1 34821250 VETGEHMWKIZMPG-XXBNENTESA-N 403.574 4.283 0 1 HIAF CC(C)(C)OC(=O)NCCCCCCn1ccc(=O)c2c1ncn2Cc1ccccc1 49803430 CGMXFTWOGYGROV-UHFFFAOYSA-N 424.545 4.331 0 1 HIAF COc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cc(F)ccc1F 59150507 LUHBSVNLEDEPEF-UHFFFAOYSA-N 410.376 4.030 0 1 HIAF CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@@]4(C)O)[C@@H](OC(C)=O)C[C@@H]12 62178871 VNDROSDKNARHKI-MFLACVNRSA-N 406.563 4.255 0 1 HIAF COc1ccc2sc(SCC(=O)Nc3ncc(Br)s3)nc2c1 66259093 TVLYUBGSMNMTKB-UHFFFAOYSA-N 416.347 4.255 0 1 HIAF CCN(Cc1ccccc1)C(=O)c1cnc(NCCCOC)nc1-c1ccc(F)cc1 82141378 DFFWSZJBDLNWOI-UHFFFAOYSA-N 422.504 4.393 0 1 HIAF CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2 82205816 OKJCKJSZZKFKHR-NHCUHLMSSA-N 418.541 4.189 0 1 HIAF COc1ccc(C2=NN(C(=O)c3ccc4c(c3)OCCO4)[C@@H](c3ccccc3)C2)cc1 95561561 PSHJDGOJBUVBDF-JOCHJYFZSA-N 414.461 4.458 0 1 HIAF CC(=O)N1C[C@H]2C[C@@H]1CN2Cc1coc2cc(Oc3nc4cnccc4s3)ccc12 95594754 FCVJBHCSSQVABJ-HZPDHXFCSA-N 420.494 4.035 0 1 HIAF Cc1ccc(-c2cc(C(=O)NCc3cnccn3)cc(N(C)C(=O)C(C)C)c2)c(F)c1 142657725 JAZKCPZBBUZUPH-UHFFFAOYSA-N 420.488 4.140 0 1 HIAF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccccc3[nH]2)C[C@H](C)O1 586969365 WRPLTFZZZGHWBJ-GJZGRUSLSA-N 405.527 4.412 0 1 HIAF COc1ccc(CNC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586988603 NUXUDJZTOCMINX-UHFFFAOYSA-N 424.456 4.019 0 1 HIAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 587011094 GONBRJNJGHYATG-UHFFFAOYSA-N 404.539 4.418 0 1 HIAF CCCCNS(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c1 587150605 MJIDDFJLGNGRIN-LBPRGKRZSA-N 409.458 4.060 0 1 HIAF CCOc1ccc([C@]2(CN)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587335104 KQUMQVAYOVHXAL-UPVQGACJSA-N 407.441 4.143 0 1 HIAF CN(C)CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587568673 CQTUTTFCSZVILB-WIOPSUGQSA-N 419.477 4.426 0 1 HIAF O=C(CNc1ccc(F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656086 WASYJVAYOKTQPG-UHFFFAOYSA-N 409.367 4.233 0 1 HIAF Nc1ccc2oc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2c1 587656612 OAJGCABKWAORQF-UHFFFAOYSA-N 417.371 4.359 0 1 HIAF CSc1nc(Cl)cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587658191 KNHUTGFENSWKLF-UHFFFAOYSA-N 416.840 4.496 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCC(=O)O)cc2)N1 587796419 STYMBWRWHPUVPL-FKIZINRSSA-N 422.294 4.455 0 1 HIAF Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C(=O)O)=CO2 587838760 OXFAFVYEEZNJLY-GIPWTMENSA-N 418.262 4.035 0 1 HIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-n2cccn2)nn1 587859807 JLUJMQSAGRUCHZ-UHFFFAOYSA-N 401.257 4.221 0 1 HIAF CCOc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1OC 587867519 HPDIOQQAAZRQDU-UHFFFAOYSA-N 421.375 4.068 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2cc(Cl)cn2)o1 587870604 DWYKZFGWGSPEMM-UHFFFAOYSA-N 414.824 4.268 0 1 HIAF CN1CCN(C(=O)CC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 618010540 ZEGHNOYLSLSVEU-UHFFFAOYSA-N 416.569 4.215 0 1 HIAF O=C1NCCN1c1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962645874 SWRDWSRIZUXBEY-AHWVRZQESA-N 424.548 4.053 0 1 HIAF CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12c1ccsc1CCN2Cc1ccco1 962711636 UEHQZPKPYPFZQI-SIKLNZKXSA-N 418.559 4.251 0 1 HIAF Cc1ccc(C)c([C@@]2(c3ccccc3C(=O)O)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962894093 HLKVHIOSRCBWOQ-WIOPSUGQSA-N 419.452 4.032 0 1 HIAF CCOC(=O)CC[C@]1(C(C)C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963179348 KGEUVYAHFOKUJY-SCLBCKFNSA-N 421.843 4.152 0 1 HIAF COc1ccc2c(c1OC)[C@](COC=C(F)F)(C(C)(C)C)NCC21CCOCC1 963184558 GXQBTRAFVIPQOG-JOCHJYFZSA-N 411.489 4.351 0 1 HIAF COc1ccc(CC[C@]2(C3CCCC3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963490473 KCJIQOGBWOLKQO-WIOPSUGQSA-N 409.526 4.326 0 1 HIAF Cc1c(O)ccc2c1[C@](c1ccccc1)([C@@H](C)Oc1ccccc1)N[C@H](C(=O)O)C2 963527702 QEOOWTRMAMAJNC-FTGWLVSGSA-N 403.478 4.011 0 1 HIAF Cc1noc([C@H]2CCCN(C(=O)c3ccc4cc(Oc5ccccn5)ccc4n3)C2)n1 1772576033 IIGHWIYRODPGEC-KRWDZBQOSA-N 415.453 4.133 0 1 HIAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(C=Cc3ccc(Cl)cc3)c2=O)CC1 2356298580 MCLBMQUPBBBFLO-CTNGQTDRSA-N 423.988 4.185 0 1 HIAF CC(=O)O[C@@H]1C(=O)CC(C)=Cc2occ(C)c2C[C@H]2C(C)=CC[C@@H](OC(C)=O)[C@@]21C 2356649532 PJVNNUMZLXDJCQ-GDKQOWJMSA-N 414.498 4.343 0 1 HIAF CCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2ccc(C)cc2)on1 36384191 LEHVERSPAGTILU-UHFFFAOYSA-N 400.482 4.387 0 3 HIAF Cc1cc(N2CCN([C@@H](C(=O)NC3CCCC3)c3ccco3)CC2)c2ccccc2n1 95569353 IRVTXJAFEVXVAM-XMMPIXPASA-N 418.541 4.058 0 3 HIAF COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccccc1F 767925 XGBSFNOGSUNUPL-LADGPHEKSA-N 418.468 4.285 0 1 HIAF CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@@H]1CC(=O)NC1CCCCC1 25430176 LQGYZOLHFCESFG-QZTJIDSGSA-N 401.551 4.414 0 1 HIAF biogenic C/C(=C\CO[P@](=O)(O)CP(=O)(O)O)CC/C=C(\C)CNc1ccccc1 33917563 CLBOMKPSIILTKC-ZYHSJPTQSA-N 403.352 4.109 0 1 HIAF O=C(CCc1noc2c1ccc1c(Cl)c(O)ccc12)NC1=C(C(=O)O)CCCC1 40943734 UNAGMXHROTZMHW-UHFFFAOYSA-N 414.845 4.302 0 1 HIAF COc1ccccc1CCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccco1 82216539 QKWVWJDVOBWOQP-UHFFFAOYSA-N 406.486 4.072 0 1 HIAF CCOC(=O)CCCCCOc1ccc2cc(C[C@@H]3SC(=O)NC3=O)ccc2c1 137226034 NVNXQLMGRJETRO-IBGZPJMESA-N 415.511 4.236 0 1 HIAF CC(C)(C)n1c(-c2cc(C(=O)O)ccc2F)nc2cc(-c3cnc(N)nc3)ccc21 143909629 JLAWBYDDWQXMNI-UHFFFAOYSA-N 405.433 4.335 0 1 HIAF Fc1ccc(OC2CCN(c3nc4ccncc4nc3NC3CCC3)CC2)c(F)c1 144436056 LCJLAMYJOWBDDR-UHFFFAOYSA-N 411.456 4.315 0 1 HIAF CC(C)(C)NC[C@@H](O)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)c2c1CCCC2 169317593 HTAQISVWPRZTDC-CYBMUJFWSA-N 411.468 4.102 0 1 HIAF CN1CCN(C[C@@H](O)c2cc(-c3ccccc3)nc3c(Cl)cc(Cl)cc23)CC1 169334765 XRRVLLARYXCLEF-OAQYLSRUSA-N 416.352 4.489 0 1 HIAF O[C@H]1CC[C@H](Nc2cc(-c3cccc(NC4CCOCC4)n3)c(Cl)cn2)CC1 169703731 XDZCBOJGXFYBAM-FZNQNYSPSA-N 402.926 4.103 0 1 HIAF COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCN2CCCCC2)cc1 206067940 HTVJAZFLCLDXHC-UHFFFAOYSA-N 408.951 4.178 0 1 HIAF NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2ccc3ccccc3c2)cc1 299836878 IFYRDAMGDDMFTC-GOSISDBHSA-N 419.428 4.357 0 1 HIAF CCS(=O)(=O)c1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586921994 JQGLBUDGDMAZLZ-UHFFFAOYSA-N 405.348 4.073 0 1 HIAF Fc1cnc(Br)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 587116045 LKIIJUMWOKYAPV-UHFFFAOYSA-N 412.144 4.489 0 1 HIAF COc1c(F)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1F 587134430 GAQVNUKDNWEPEB-UHFFFAOYSA-N 421.572 4.170 0 1 HIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c(F)c2)c1 587147572 UJTKMKQBKXPYIV-UHFFFAOYSA-N 404.401 4.027 0 1 HIAF CC(=O)N[C@@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(C)cc1 587207831 XDVAJXKGJQFCCX-ZDUSSCGKSA-N 407.699 4.102 0 1 HIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C(=O)O)[C@@H]3C(=O)O)c1 587364970 BJQMPUDBFUKKAB-KXBFYZLASA-N 417.417 4.472 0 1 HIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587420383 FYPZZEYIQDJAMF-IMZWBVRYSA-N 403.400 4.432 0 1 HIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1sccc1Br)[C@@H](C2)C3=O 587450378 FRFKQOJSMFFEOU-XPOPHGQQSA-N 420.328 4.237 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cc(C)c(OC)c(C)c1)CC2=O 587483082 USDXLGRQMVNMMO-XMMPIXPASA-N 412.482 4.394 0 1 HIAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(NC[C@H]3CCCO3)nc1C)CC2=O 587494212 KBRAXZDWXUTURF-PEBXRYMYSA-N 416.543 4.581 0 1 HIAF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cnccc21 587587589 OZCLKOSOOPVTIH-GJZUVCINSA-N 421.408 4.237 0 1 HIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2nccn2C)N1 587729047 GMRRQTNPHNIXNG-FKIZINRSSA-N 418.285 4.287 0 1 HIAF CC1=C[C@@]2(CC(=O)N1Cc1ccco1)N[C@H](C)Cc1ccc(F)c(Br)c12 587760040 NSZVIGPBDVSOAY-ODXCJYRJSA-N 419.294 4.247 0 1 HIAF Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nn2)cc1 587760934 RFZOURVZPMKXGT-ZUOKHONESA-N 415.310 4.160 0 1 HIAF CC(C)Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587793296 NIPPUAVAHJBGKT-ODXCJYRJSA-N 408.311 4.491 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C)c(S(C)(=O)=O)cc1Cl 587873107 VJCQSRVJFLLZQL-UHFFFAOYSA-N 408.882 4.442 0 1 HIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587927320 PCTYWVXOQNDGLI-MRXNPFEDSA-N 419.485 4.181 0 1 HIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587938342 VCTZARFTUCRHQG-BJOHPYRUSA-N 401.335 4.458 0 1 HIAF Cc1c(F)ccc2c1[C@@](C)(c1cc3ccc(Br)cc3oc1=O)NCC2 962297162 ITKWZUXJOVARGO-HXUWFJFHSA-N 402.263 4.412 0 1 HIAF CC(=O)Oc1cccc([C@@]2(c3ccccc3Cl)NCCc3nc4ccccn4c32)c1 962988923 YZWZXHTYNKOLNQ-DEOSSOPVSA-N 417.896 4.351 0 1 HIAF COc1ccc(Cn2c(CCC(=O)N[C@H](C)c3ccccc3)nc3cccnc32)cc1 1772608666 SIHBNWJKTANPSL-GOSISDBHSA-N 414.509 4.298 0 1 HIAF CCOC(=O)[C@@H](C(=O)c1ccc(OC)cc1)[C@H](NC(C)=O)c1cccc2ccccc12 1857550964 XLBJLDIAFCTKRY-DHIUTWEWSA-N 419.477 4.088 0 1 HIAF O=C(Cc1ccccc1)N1N=C(c2cc(Cl)ccc2Cl)C[C@@]1(O)C(F)(F)F 1857637415 XDMFNUDZFFBBJU-QGZVFWFLSA-N 417.214 4.423 0 1 HIAF Cc1ccc(-n2cc(CSC3=N[C@H](c4ccccc4)CC(=O)N3C)nn2)cc1C 1911576580 ODVLKQYBUFOXJP-FQEVSTJZSA-N 405.527 4.077 0 1 HIAF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@H]3C=CC4=C(COC4=O)[C@@]23C)cc1 2356519832 QUYNMBZRMCYARM-DNRQZRRGSA-N 408.494 4.486 0 1 HIAF CC(C=C1C(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)=C(Cl)Cl 2356596331 GSTRDEBFQFLBIV-WPRPVWTQSA-N 422.567 4.275 0 1 HIAF CCOc1ccc(Cl)cc1-c1cc(C(=O)Nc2cc(OC)ccc2OC)[nH]n1 61895456 DSMYDIZVTSFQEA-UHFFFAOYSA-N 401.850 4.398 0 3 HIAF CCCOc1ccc(-c2csc(C)n2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1 1541552 KIFAWCZUBQDIFK-UHFFFAOYSA-N 409.515 4.336 0 1 HIAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4049036 IMFXGXVIAMNINI-ARNLJNQMSA-N 414.505 4.333 0 1 HIAF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 4211142 DRBVVVBGRVCFOR-XJUOHMSHSA-N 420.896 4.282 0 1 HIAF CNc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 13782346 SFBSYUXHSUTLDP-UHFFFAOYSA-N 407.345 4.072 0 1 HIAF COc1cc2c(cc1O)[C@@H]1C[C@@H](C[C@@H]3CCCCN31)OC(=O)/C=C\c1ccc(O)c-2c1 17063616 CDTGNBVPXHNHGE-MWLKEAPXSA-N 421.493 4.401 0 1 HIAF CC(C)=CCN1CC[C@]2(C)c3cc(O)c(I)cc3C[C@H]1[C@@H]2C 26747058 BWXORCIRGKQZPT-IXDGSTSKSA-N 411.327 4.487 0 1 HIAF CN(C(=O)C1c2ccccc2-c2ccccc21)[C@H](CN1CC[C@H](O)C1)c1ccccc1 27741605 AZGVFPJKXURBKA-NBGIEHNGSA-N 412.533 4.065 0 1 HIAF COc1ccc2c(c1)c(CCCC(=O)N1CCOCC1)c(C)n2Cc1ccc(C)cc1 28704769 HWUIJXGJMGDKQG-UHFFFAOYSA-N 420.553 4.497 0 1 HIAF COc1cc(C(=O)c2c(OC/C=C/C(=O)O)ccc3ccccc23)cc(OC)c1OC 40567194 FVWREIUFRQGLFU-RMKNXTFCSA-N 422.433 4.116 0 1 HIAF O=C1OCC2=C1[C@H](c1cccc(OC(F)(F)C(F)F)c1)c1cc3c(cc1N2)OCO3 40897807 JUJLAQPTDQOPEB-MRXNPFEDSA-N 423.318 4.020 0 1 HIAF CCCCCCOc1ccc(C(=O)CCN(C)C)c(I)c1 43066772 STFCAGFEWNVMMB-UHFFFAOYSA-N 403.304 4.385 0 1 HIAF CCN(CC)c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1 82066217 GMDVDYDPKCLBSJ-UHFFFAOYSA-N 409.490 4.139 0 1 HIAF Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(C(=O)NC(C)C)C[C@@H]34)cc2)c1 95875562 AJFGPRMGCHYGQR-GVAUOCQISA-N 421.585 4.005 0 1 HIAF Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c4ccccc4nc-3c2O)cc1 100705278 JDBQEYOALQLPNW-UHFFFAOYSA-N 418.522 4.254 0 1 HIAF CCCn1c(-c2ccc(F)cc2)nc2c(NC3C[C@@H]4CC[C@@H](C3)N4C)nc(C)nc21 102787260 FLABGLALTXSQHU-OALUTQOASA-N 408.525 4.388 0 1 HIAF CNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C 118427055 MPOZOKGMPYUMNX-UHFFFAOYSA-N 421.404 4.185 0 1 HIAF O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1)c1ccccc1 137667795 SFBZTOORZNQQMW-ZJZGAYNASA-N 422.484 4.070 0 1 HIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ncc(OCC4CC4)cc3C)C2)cc1 169709232 AMECFMCAQKMLKN-JTSKRJEESA-N 409.530 4.034 0 1 HIAF C[C@@H]1c2ncnc(-c3ccn[nH]3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl 219367533 CJGMJEYIRWOWHA-SNVBAGLBSA-N 421.810 4.298 0 1 HIAF COc1cc(Br)cc2c1nc(C)c1c(C)nc(-c3ccc(F)nc3)n12 220764689 PZAJISDCIZCGIB-UHFFFAOYSA-N 401.239 4.472 0 1 HIAF CC(C)(SCC(=O)O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586960655 XHFUAEJHWCUADF-UHFFFAOYSA-N 413.215 4.277 0 1 HIAF O=S(=O)(Nc1ccccc1-c1nc2ccc(O)cc2[nH]1)c1cc(F)ccc1F 587140871 TXPOQTVYSBYBIT-UHFFFAOYSA-N 401.394 4.015 0 1 HIAF CCCc1c(O)ccc2c1O[C@@](/C(=C/N(C)C)C(=O)OCC)(c1ccccc1)CC2=O 587470357 SRQZHVBENRMICY-RALKEJGDSA-N 423.509 4.214 0 1 HIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC2=O 587489916 WVTKYCLEQHRRSL-YJBOKZPZSA-N 405.491 4.051 0 1 HIAF CC(=O)Nc1sc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)O 587530043 CLHWBVXBBVFQIB-JOCHJYFZSA-N 413.495 4.473 0 1 HIAF COc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587578815 RWEZONQSOJOKRR-URXFXBBRSA-N 414.417 4.289 0 1 HIAF C[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584584 YVNYIAXBLKXJBL-MCCOCYNGSA-N 401.462 4.245 0 1 HIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(N)c(F)c2F)N1 587716048 DDKXFQPPZPJDKO-IWEMQMMOSA-N 403.217 4.385 0 1 HIAF CCOC(=O)Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587777482 NLFLNAVQYRJKQW-UHFFFAOYSA-N 409.339 4.079 0 1 HIAF CCOC(=O)CCC(=O)Nc1ccc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963101882 MIWNBZNQHSSMNX-SQJMNOBHSA-N 424.516 4.392 0 1 HIAF O=C1/C(=C/c2ccc(Cl)cc2)N=C2C(Br)=CC(Br)=CN12 1772583063 CTNYFWLMHLLANJ-XGICHPGQSA-N 414.484 4.450 0 1 HIAF O=C(/C=C/c1cccc(Br)c1)Nc1cccc(OCC2CCNCC2)c1 1857608895 AENXFNGMDVGTMJ-BQYQJAHWSA-N 415.331 4.479 0 1 HIAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@@H](CO)[C@@]2(C)CCc1ccoc1 2356520122 AIGWUCNUZVDRHF-OIJOUKJNSA-N 418.530 4.370 0 1 HIAF CC=C(C)C(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)CC[C@H](O)[C@H]2C 2356628436 TYOANDKPHLTYEY-PBHICJAKSA-N 400.471 4.477 0 1 HIAF CCOC(=O)C1=C[C@@H](CC)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccs1 72136795 OWAXXGPVFVNARZ-DNVCBOLYSA-N 405.541 4.070 0 3 HIAF COc1ccc(-c2cc(-c3noc(C4CC4)n3)c(=O)n(C)c2-c2ccncc2)cc1 13473214 MHVBIDYSCZQVSY-UHFFFAOYSA-N 400.438 4.050 0 1 HIAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)c3cc[n+](CCS(=O)(=O)O)cc3CC[C@H]21 38898069 FVJKDVMYGYXUKD-SQOUVECCSA-O 406.612 4.308 0 1 HIAF CC(C)NC(=O)Nc1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)ccc1F 40847090 CTHKZMMTDFSHPS-UHFFFAOYSA-N 423.473 4.358 0 1 HIAF COc1cc(CC(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O 40878004 QZJNKUSPJHZWGJ-KELGSRBJSA-N 402.531 4.399 0 1 HIAF O=C1Nc2ccc(Cl)cc2[C@](CNC(=O)c2ccccc2F)(C(F)(F)F)O1 45284291 VVCOFLHFXDJSKZ-MRXNPFEDSA-N 402.731 4.229 0 1 HIAF Cc1ccc(C(=O)NC2CC2)cc1Nc1nncc2c1cnn2-c1ccc(F)cc1F 49068466 UYGUSJUAUIWJMP-UHFFFAOYSA-N 420.423 4.038 0 1 HIAF C[C@]1(COC(=O)Cc2ccccc2)Cc2ccccc2CN1C(=O)Cc1ccccc1 72184030 YPOSMQPBVIXZBM-HHHXNRCGSA-N 413.517 4.359 0 1 HIAF CCCNCCc1ccc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 72190124 PRLYDBKNTGETHT-UHFFFAOYSA-N 400.466 4.134 0 1 HIAF investigational O=S(=O)(Nc1cc(-c2ccc3nccnc3c2)cnc1Cl)c1ccc(F)cc1 73195718 TZARJJVXWKVJIK-UHFFFAOYSA-N 414.849 4.285 0 1 HIAF CCOCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 73220755 YMRMKCOJONCFSM-LJQANCHMSA-N 401.572 4.191 0 1 HIAF COC(=O)/C=C/c1c(OC)ccc2c1CCC=C2c1cc(OC)c(OC)c(OC)c1 84617484 FYHNNTVZSVGGEN-ZRDIBKRKSA-N 410.466 4.285 0 1 HIAF CCCNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 84729103 VYUMKROVEIYUII-GOSISDBHSA-N 417.868 4.059 0 1 HIAF COc1nn2c(O)cc(-c3ccncc3)nc2c1Cc1cccc(Cl)c1Cl 95583684 YSMSSJBFBPYZSK-UHFFFAOYSA-N 401.253 4.403 0 1 HIAF COCO[C@@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1N2C 101038297 ASVJPCQXPWNHDI-CIAFKFPVSA-N 403.469 4.295 0 1 HIAF COCN1[C@@H](c2ccc(Cl)cc2)CS(=O)(=O)C[C@@H]1c1ccc(Cl)cc1 103277485 HZPGUZIFRUXCEC-QZTJIDSGSA-N 400.327 4.110 0 1 HIAF CCOCCc1ccc(OCCNC(=O)c2c(Cl)c(C(C)(C)C)nn2C)c(C)c1 103287005 IEZRDKALUNBDPM-UHFFFAOYSA-N 421.969 4.067 0 1 HIAF O=C(c1cncc2[nH]ccc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 149583279 WQMFJXHQKZJCOW-IBGZPJMESA-N 408.408 4.040 0 1 HIAF Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(C(C)C)cc1 198919580 PGKLIZKBSJEMLX-UHFFFAOYSA-N 415.540 4.196 0 1 HIAF COc1cc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCN(C)C)c2cc1OC 299868528 RQLXMJJZQJCLKW-JXMROGBWSA-N 412.921 4.444 0 1 HIAF Clc1cccnc1-c1nc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cs1 587016760 BVGKVWDNFYFFGB-UHFFFAOYSA-N 411.918 4.234 0 1 HIAF Clc1ccc(-c2nnc(CCc3nc4ccc(Br)nc4[nH]3)o2)cc1 587075396 COSCSRPPIWCABZ-UHFFFAOYSA-N 404.655 4.209 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCC(F)(F)F)nc1 587551365 ZZANEWKVAWZTDS-FXAWDEMLSA-N 417.339 4.431 0 1 HIAF CCOC(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570736 XLNRYUDVLFUCJZ-ZJSXRUAMSA-N 422.408 4.342 0 1 HIAF CC(=O)OC[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590762 ALMRWAXBOUJPIA-XUZZJYLKSA-N 404.418 4.121 0 1 HIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2=O)cc1 587598183 XAFUNGJHUKRVBP-QPPBQGQZSA-N 401.418 4.222 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc2c(c1)OCCO2 587611493 RZQSCFFTOUQULU-KNQAVFIVSA-N 404.418 4.126 0 1 HIAF Cc1ccc(NCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655589 AHQBSEQIOZUFAS-UHFFFAOYSA-N 405.404 4.402 0 1 HIAF CCn1cc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587681707 KKWLPYUJTDPMME-AYVTZFPOSA-N 417.120 4.191 0 1 HIAF CCOC(=O)[C@H](C)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587703217 GGHWWZJGWHQPND-KOSWAMCASA-N 412.221 4.079 0 1 HIAF COC(=O)CC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587806486 JJQFIZRFBPZBEI-ZUOKHONESA-N 406.295 4.319 0 1 HIAF C/C(=C\[C@]1(c2nccs2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C 587853438 MZXHJJNYLUNTJL-COAMDTCMSA-N 410.356 4.288 0 1 HIAF O=C1N(Cc2ccc3c(c2)OCO3)c2ccccc2[C@@]12Nc1ccccc1-n1cccc12 653693449 QQBJNIDUBLPZIV-SANMLTNESA-N 421.456 4.422 0 1 HIAF Cc1nc(-c2ccncc2)sc1[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972433 IPDYSPIWHXTYSU-CJNGLKHVSA-N 421.856 4.133 0 1 HIAF O=C1[C@H](c2ccccc2)Oc2cc(O)ccc2[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963115618 XFIINRFPWYGFQN-LUPFDQBXSA-N 415.464 4.498 0 1 HIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc(F)c(F)c2F)N1 963206878 ZDUZVPRQNZCQMZ-BMIGLBTASA-N 409.713 4.464 0 1 HIAF CC(=O)c1ccc(NC2=C[C@]3(C[C@@H](C)C2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c23)cc1 963487749 CQFRLLJOTYFHDE-WXQUHVEVSA-N 420.509 4.123 0 1 HIAF CCCCOc1cc(N2CC[C@@H](Oc3ccc([C@@H](C)C(=O)NCC)cc3)C2)ccn1 1772617332 JZHYKYDCQOFCOS-XMSQKQJNSA-N 411.546 4.158 0 1 HIAF C[C@H]1C(=O)N(CCN(C)C)c2cccc(C(F)(F)F)c2C[C@H]1c1ccc(O)cc1 13450744 MHYMDSDLEMBUDI-RHSMWYFYSA-N 406.448 4.282 0 1 HIAF C[C@H]1CCCC[C@H]1N(C)C1CCN(CCCNC(=O)/C=C/c2cccs2)CC1 20241374 JULDRBVVYBVBBQ-DKARIYQYSA-N 403.636 4.243 0 1 HIAF CN1CCN(CCCOc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)CC1 28371526 XJRSTLZTWSTPSI-UHFFFAOYSA-N 412.921 4.073 0 1 HIAF Cc1cc(-c2cccc(NC(=O)C3CC3)c2)n2ncc(C(=O)c3cccs3)c2n1 28819309 ZLZTZKHAWKMXIA-UHFFFAOYSA-N 402.479 4.346 0 1 HIAF CCCOc1cc(C)c2c(c1C)C[C@@H]([C@H](C)C(=O)N1CCC(C(=O)O)CC1)CC2 33622338 IPFUINKNWRNDQA-LPHOPBHVSA-N 401.547 4.156 0 1 HIAF biogenic COc1ccc(C[C@H](OC(=O)/C=C/c2ccc3ccccc3c2)C(=O)O)cc1OC 95587058 WDYVOVWWKMVZQY-FQTAANOTSA-N 406.434 4.109 0 1 HIAF CCOC(=O)c1[nH]c(Br)c(-c2ccc3c(c2)OCO3)c1Br 96933268 FPNKMTGQAFKZDE-UHFFFAOYSA-N 417.053 4.112 0 1 HIAF Cc1ncccc1Oc1ncnc(OC2C[C@@H]3CC[C@@H](C2)N3C(=O)OCC2CC2)c1C 101417572 JDZJEUOIGPNXEZ-ROUUACIJSA-N 424.501 4.202 0 1 HIAF CC(C)C[C@H](Nc1ncc2ccc(F)cc2n1)c1ccc(C(=O)NCCC(=O)O)cc1 148729572 BDUHTGNWMJUCPE-IBGZPJMESA-N 424.476 4.173 0 1 HIAF C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCN(c4ccc(O)cc4)CC3)[C@@H]2CC/C(C)=C\CC1 169354696 BFMMRUIXWOLGNQ-WJLTTWMDSA-N 410.558 4.139 0 1 HIAF Cc1ncc2ccc(-c3cccc(OC[C@H](O)CN4CCc5ccccc5C4)c3)cn12 218398974 KXXZKVYXBFLEEU-RUZDIDTESA-N 413.521 4.108 0 1 HIAF Cc1ccc(C2=Nc3c(N)nc(N)nc3N[C@@H](c3sc(Cl)nc3Cl)C2)cc1 299857429 CVQVOLROAKZJSQ-SNVBAGLBSA-N 420.329 4.390 0 1 HIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5F)CC4)[C@H]3C=C12 504564940 DJDMTKVUPCOQPO-JWZJQSSYSA-N 410.533 4.182 0 1 HIAF biogenic Fc1c(F)c(F)c2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1F 586969498 LMRPHTOUJJQKPD-UHFFFAOYSA-N 424.335 4.190 0 1 HIAF O=C(c1cccc(Br)c1)c1c(CO)oc2cc(Br)cnc12 587274119 SUGPHVAVRBRWKR-UHFFFAOYSA-N 411.049 4.076 0 1 HIAF O=C1c2ccc(O)cc2O[C@](c2ccccn2)([C@@H]2CCCNC2)[C@@H]1c1ccc(F)cc1 587349713 VLSMKHNYPHVEBR-HGMMTPDKSA-N 418.468 4.180 0 1 HIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)O2 587378813 QLRMGSCXCWTPKW-QFIPXVFZSA-N 410.857 4.360 0 1 HIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4c(C)noc4C)c(OC)c1)[C@@H](C2)C3=O 587435666 ICVDHWABCSWUHI-XDHUDOTRSA-N 421.449 4.376 0 1 HIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C)CC2)Oc2ccccc21 587475145 MNYLJRKNBXVRRB-RUZDIDTESA-N 407.510 4.452 0 1 HIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1F 587567646 IMBKKKVOOBFXAJ-XUZZJYLKSA-N 421.424 4.071 0 1 HIAF Cn1ccnc1C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580468 YCENCGFRHIASOA-DHLKQENFSA-N 412.445 4.226 0 1 HIAF O=C(c1cccnc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622000 SYMJCYFZAUJOMQ-UHFFFAOYSA-N 409.165 4.452 0 1 HIAF O=C(c1cc(Cl)ccc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587654583 VEWXDEPRYGBUED-UHFFFAOYSA-N 412.779 4.389 0 1 HIAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)nn1C 587721894 RHPGMJHRDWISBP-UOWDBTKRSA-N 406.221 4.273 0 1 HIAF Cc1cnn(Cc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c1 587759692 MAAJHDJHWXNTRW-CWTRNNRKSA-N 404.283 4.358 0 1 HIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(c2cccnc2)N1 587771980 MRISHXLLGZIKFX-QKKBWIMNSA-N 412.306 4.399 0 1 HIAF COCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587794654 PCASPUVDCIUUEP-MPBGBICISA-N 424.310 4.246 0 1 HIAF COc1cc2c(cc1OC)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804372 BAALODONGFQTFC-YBTHPKLGSA-N 406.295 4.329 0 1 HIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)sc3c2CCN(C)C3)N1 587854700 RYSJKLHLWXLRMJ-GIGQVBGESA-N 424.383 4.018 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Cn1cc(Br)cn1 587869920 UPRMNFNADSSCEW-LBPRGKRZSA-N 421.270 4.023 0 1 HIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccccc2)n1 587871927 FJEGVZJJHGYNKW-UHFFFAOYSA-N 406.417 4.009 0 1 HIAF Cn1cc([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)n(C)c1=S 961786055 PAYUIPVRMUOXFH-LJQANCHMSA-N 414.575 4.334 0 1 HIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2nc3c(s2)C[C@@H](c2ccccc2)CC3)N1 962913124 QPVMFQCCTGLCKB-DHUIEDIVSA-N 408.498 4.243 0 1 HIAF Cc1ccc([C@@]2(CC(C)(C)C(=O)O)NCCc3c2c(C(C)C)nn3C)cc1Cl 962915114 FUCYOQGRSLMWQB-JOCHJYFZSA-N 403.954 4.396 0 1 HIAF Nc1c(C=O)ccc2c1C(=O)c1ccccc1[C@@]21c2c(F)cccc2C[C@@H]2CCCN21 963102708 FYSBIUOXFXQVEZ-QLXKLKPCSA-N 412.464 4.077 0 1 HIAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1ccc2ncsc2c1 963152462 VNCGUZAYZFITBQ-DZGCQCFKSA-N 417.512 4.089 0 1 HIAF CCCC[C@H](CC)C(=O)OC[C@@]1(CO)CC(=Cc2ccc(Cl)c(F)c2)C(=O)O1 1857624407 ZNLUECRWFKKEBI-BTYIYWSLSA-N 412.885 4.300 0 1 HIAF O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCN(c2ncccn2)CC1 1857753327 XZVJMNBWWSFFHL-LVZFUZTISA-N 404.901 4.019 0 1 HIAF 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=C1C[C@H]3O 2356738932 LEMNKDYZZKCTCV-BRNXFUKRSA-N 404.591 4.486 0 1 HIAF