smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCNc1nc(NC(C)C)nc(N(C#N)CCOc2ccc(Cl)cc2Cl)n1 852961 IZEPKWIQFLJWDU-UHFFFAOYSA-N 410.309 3.797 0 50 HHAA COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)/C=C/c1ccccc1 1113583 VYNREGBCJONZLN-JLHYYAGUSA-N 400.500 3.522 0 50 HHAA Cc1cc(Br)cc2c1N(C)C(=O)[C@]2(O)CC(=O)c1ccc(Cl)cc1 1124163 ZTRFNZVLPKRRKQ-SFHVURJKSA-N 408.679 3.848 0 50 HHAA O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(I)cc1 1232373 RTAQOJNQYGIPJE-IZZDOVSWSA-N 408.264 3.818 0 50 HHAA CCOC(=O)c1c(NC(=O)c2nc(SC)ncc2Cl)sc(C(C)=O)c1C 4821011 NTRYCLZXJZHRCG-UHFFFAOYSA-N 413.908 3.853 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1C 11697975 BRVJCRSIBKEUDN-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA Cc1csc(SCC(=O)NC[C@@H]2Cc3cc(F)cc(-c4cccnc4)c3O2)n1 12040017 SQTAEDDHOCUPCW-INIZCTEOSA-N 415.515 3.865 0 50 HHAA COc1ccccc1/C=C/CN1CCC2(CC1)C[C@H]2C(=O)N(C)Cc1cscn1 12042605 BIFOXPDCNPMZHT-CYXJOQHWSA-N 411.571 3.926 0 50 HHAA COc1ccc(NC(=O)CCC2CCN(C3CSCCSC3)CC2)c(OC)c1 12051766 QRBJKEJCAGBRLX-UHFFFAOYSA-N 424.632 3.983 0 50 HHAA Cc1nnc(SCC(=O)N[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)s1 12457368 WGQLNPHSOPZCJS-OAHLLOKOSA-N 421.498 3.596 0 50 HHAA CCCO[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC2CCN(C(C)=O)CC2)C1 12582385 NCMPWSLGQXOFKQ-IBGZPJMESA-N 422.953 3.761 0 50 HHAA Cc1cccc([C@H]2CCCN(C(=O)C[C@@]3(c4ccccc4F)CC(=O)N(C)C3=O)C2)c1 14879845 ILWZZIOCYXWARN-UQBPGWFLSA-N 422.500 3.557 0 50 HHAA O=C(N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cccc(N2CCCC2=O)c1 15063182 QWQWQAZGRVJQCL-HXUWFJFHSA-N 411.933 3.861 0 50 HHAA O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cn(CCCc3ccccc3)nn2)C1 15064062 YEEPKHZOTRRZBF-SFHVURJKSA-N 408.527 3.708 0 50 HHAA COc1ccc(NC(=S)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1OC 17090404 LGLXVRTWUJXCDP-UHFFFAOYSA-N 415.603 3.987 0 50 HHAA COc1cccc(NC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CC[C@@H](C)C3)c1 17090672 FSYMEWGOSCPFJH-GFCCVEGCSA-N 416.499 3.937 0 50 HHAA Cc1nn2c(ncc3c(=O)n(-c4ccc5c(c4)OCCO5)ccc32)c1-c1ccccc1 19818805 DZXZTQBQJKNVSA-UHFFFAOYSA-N 410.433 3.780 0 50 HHAA CCN(Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)C[C@@H]1CCCO1 55211124 LXTXMQQYLKSVSE-NRFANRHFSA-N 423.623 3.648 0 50 HHAA COCCN1CCC(CN(Cc2ccncc2)Cc2nc3c(s2)CCCC3)CC1 55282876 FAABNDOAAYMYBQ-UHFFFAOYSA-N 414.619 3.778 0 50 HHAA Cc1ccnn1CCC(=O)N(C)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 77345047 IWVRXLGWAGDTAJ-FQEVSTJZSA-N 402.970 3.648 0 50 HHAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cnc(O)cc2O)cc1 92096874 NUDVMGOOJGSJPF-SFHVURJKSA-N 406.486 3.783 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Br)cc3nc(C)oc23)cc1 170600428 AVVYLABDOJNVCO-UHFFFAOYSA-N 424.276 3.658 0 50 HHAA Cc1cccc(C)c1NC(=O)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)CC1 239339175 LUIYJCWQDJMRHS-PFEFMSQKSA-N 418.537 3.854 0 50 HHAA Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 239402692 RAXYROGTNMRWJD-YPAWHYETSA-N 400.434 3.752 0 50 HHAA Cc1nnnn1-c1cccc(NC(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c1 440263778 GMMAOPBTEPAHSA-HSZRJFAPSA-N 402.502 3.873 0 50 HHAA O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(N2CCCC2)c(Cl)c1 828152551 YPPODZPCUBHTOG-UHFFFAOYSA-N 405.970 3.705 0 50 HHAA COc1ccc([C@@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4c3c2cn4C)cc1O 888089785 HWUQDULPFNGVLN-FQEVSTJZSA-N 403.438 3.742 0 50 HHAA CCc1cccc2c(C(C)=O)cn(CC(=O)N(C)C[C@@H]3Cc4ccccc4CN3C)c12 1506399813 JFXSIOYORURDOX-QFIPXVFZSA-N 417.553 3.921 0 50 HHAA Cc1c(CN2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)oc2ccccc12 1857710311 QCVWXXGJIPZVEB-YWQGAKJTSA-N 406.482 3.744 0 50 HHAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 1875263563 OKYOVRAIQKEJHU-LJQANCHMSA-N 411.889 3.604 0 50 HHAA NC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc(-c3cccc(F)c3F)ccc1F)C2=O 1875309766 MJKHTHQGAGYOIA-OYHNWAKOSA-N 417.431 3.710 0 50 HHAA COc1ccc(C)cc1-n1cnc(C(=O)Nc2ccc(OCCn3ccnc3)cc2)c1 2325745569 MFWCPTSDEBKMTJ-UHFFFAOYSA-N 417.469 3.717 0 50 HHAA COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1[C@H](C(=O)OC)CC2 955057 UBHZWFLCJZSHGY-ZQNFCJTASA-N 403.431 3.529 0 50 HHAA O=C(Oc1cccc(/C=c2\sc3nc4ccccc4n3c2=O)c1)c1cccs1 1120821 IWKXPWNDKQARDU-PDGQHHTCSA-N 404.472 3.738 0 50 HHAA COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c1 2841025 SWMGSXGWJVUKNZ-UHFFFAOYSA-N 416.890 3.653 0 50 HHAA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2OC(C)C)NC(=O)N1 4492513 WIGMZRZDAJTERC-OAQYLSRUSA-N 410.470 3.724 0 50 HHAA CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(C)cc1 4977941 IJBUNRNKJCUYIK-UHFFFAOYSA-N 421.570 3.714 0 50 HHAA CCCCNC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 11842005 LWBJHURUVFWSSP-UHFFFAOYSA-N 411.550 3.991 0 50 HHAA Cc1ccn(CCC(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccc(F)c(C)c4)c3O2)n1 12077946 ZPXCVKJBEQBISF-IBGZPJMESA-N 411.452 3.955 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)c1 12304303 LWKXITQDLXPELL-LJQANCHMSA-N 423.557 3.710 0 50 HHAA CCN(Cc1ccncc1)C(=O)c1c(CC2CCCC2)n(CCOC)c(C)cc1=O 14884034 MLZJNLQZHWMZTP-UHFFFAOYSA-N 411.546 3.593 0 50 HHAA CC[C@H](Oc1ccccc1)C(=O)NCCCCNC(=O)[C@@H](CC)Oc1ccccc1 16667923 AUWGVQFVPINIFI-SZPZYZBQSA-N 412.530 3.714 0 50 HHAA Cc1[nH]c2c(C(=O)N3CCOc4ccc(CN5CCOCC5)cc4C3)cccc2c1C 19840074 SEYLWAYTHVHMQP-UHFFFAOYSA-N 419.525 3.652 0 50 HHAA CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1 65363080 WOTBHGIOFLQHJB-SFHVURJKSA-N 402.502 3.607 0 50 HHAA CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4ccccc4s3)n2)cc1 71281752 ZVQYMNASUAYKRC-UHFFFAOYSA-N 408.508 3.881 0 50 HHAA CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCN2C3=O)c1 169766554 MFCLEXKVVSREIU-HXUWFJFHSA-N 407.470 3.518 0 50 HHAA Cc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccc(N(C)C)cc5)n4)c3CO2)cc1 169769428 KIJUQUIXRXCSNZ-IBGZPJMESA-N 402.458 3.641 0 50 HHAA COC(=O)[C@H](NC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21)c1ccccc1 253369312 AWTTZWCCGXRIMO-JFCAZQBUSA-N 423.557 3.505 0 50 HHAA C[C@@]1(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)CCCN(C(=O)c2ccccc2)C1 439058863 VNNHNPQIGUABRD-XMMPIXPASA-N 408.546 4.414 0 50 HHAA O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)N[C@@H]1COc2ccccc2C1 473947855 JRVVLYGJVKFFQQ-NRFANRHFSA-N 419.456 3.881 0 50 HHAA CC(=O)Nc1sc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)nc1-c1ccccc1 479351330 PXWJVIZUWKJRCC-HNNXBMFYSA-N 406.467 3.833 0 50 HHAA O=C(CNC1CCN(C(=O)OCc2ccccc2)CC1)Nc1ccc(Cl)cc1 790468573 XWJURBQKFYDPME-UHFFFAOYSA-N 401.894 3.669 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(C(=O)NCC[C@H]2CC[C@H](N)C2)C1 952894606 SEKCCJCGCVEZIQ-APWZRJJASA-N 413.541 3.623 0 50 HHAA O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CCOCC2)C1 1772717907 HZAVAONBARMJFJ-MRXNPFEDSA-N 407.466 3.891 0 50 HHAA O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(-c2ccc3ccccc3c2)on1 1775975061 CRHZHAWPWADZMF-NRFANRHFSA-N 417.465 3.891 0 50 HHAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NCc1ccc(F)c(Cl)c1 1857708536 YSBKGZQUQQVFNC-AWEZNQCLSA-N 402.857 3.938 0 50 HHAA COc1ccc([C@H](NC(=O)CN[C@H](C)c2cc(F)ccc2-n2cccn2)C2CC2)cc1 1875256623 FLSIEWOKUDAMRV-VOIUYBSRSA-N 422.504 3.938 0 50 HHAA Brc1ccc(OCc2nc(SCc3ccc4nonc4c3)n[nH]2)cc1 1875353165 LOPVQSIREVJOPL-UHFFFAOYSA-N 418.276 3.975 0 50 HHAA Cc1cc(Br)cc2c1CN(C(=O)CN1CCc3sccc3C1)CC2 2325723893 PDJITURFPVOQHM-UHFFFAOYSA-N 405.361 3.762 0 50 HHAA COc1cc(OC)cc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 692573 WJNMHKWLFWZJIM-UHFFFAOYSA-N 402.406 3.757 0 50 HHAA Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)c1 786429 JCHICBRDGFCIOY-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA CCOC(=O)/C=C(\C)Nc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 2675060 JXYUVYCKMSOYDV-PKNBQFBNSA-N 400.909 3.817 0 50 HHAA CC(C)NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 2938808 JXEZRWKXTBQCKV-UHFFFAOYSA-N 415.342 3.709 0 50 HHAA Cn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)nnc1-c1ccccc1 4825916 NRGBQNQJRZEJHX-UHFFFAOYSA-N 402.863 3.565 0 50 HHAA O=C(CCc1ccccc1)Nc1ccc(N2CCC(NCCn3cccn3)CC2)cc1 12054063 OZQPWUFFNLGIMY-UHFFFAOYSA-N 417.557 3.713 0 50 HHAA Cc1cnc(-n2ncc(C(=O)N[C@@H]3CCOC(C)(C)C3)c2C)nc1-c1cccs1 12280866 QQOKRLQGCZSDMQ-OAHLLOKOSA-N 411.531 3.695 0 50 HHAA O=C(c1ncoc1C1CC1)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 12458015 ILPIETSFYISEFB-QFIPXVFZSA-N 401.457 3.959 0 50 HHAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)Cc1c(F)cccc1Cl 12757496 LTUDQEBUMLHDOA-UHFFFAOYSA-N 409.977 3.676 0 50 HHAA CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccoc1)CC2 14741807 JLSMGNVIKJEAEB-UHFFFAOYSA-N 410.518 3.520 0 50 HHAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 17090764 SAGPQNGYCCGCHP-CABCVRRESA-N 416.543 3.859 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc4cccnc34)C[C@@H]2CCO)c(C)c1C 22919649 FTVWJTNMODSIFY-DEOSSOPVSA-N 419.569 3.929 0 50 HHAA CC(C)=CCN1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@@H]1CCO 23360704 JAMOXTCRXMTERV-NRFANRHFSA-N 400.954 3.632 0 50 HHAA CCOc1ccccc1-c1ccc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)o1 25694815 XJVJNCYSBYCOPR-UHFFFAOYSA-N 411.454 3.926 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)nn2)nc1 72139293 GMDCIJLSORBUMH-UHFFFAOYSA-N 402.502 3.503 0 50 HHAA O=C1CCC2(CCN(c3cccc(C(F)(F)F)n3)CC2)CN1Cc1ccccn1 91434360 YVDCUFBLNBMEMU-UHFFFAOYSA-N 404.436 3.905 0 50 HHAA O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2ccccc2)C1)c1ccccc1 110886482 XKSMGRAMABZIDW-ZEQRLZLVSA-N 413.521 3.741 0 50 HHAA C[C@@H]1C(=O)N(C[C@H](O)COc2cccc3ccccc23)C(=O)N1c1ccc(F)cc1 170124191 VUVVBJHSPNTYTJ-BEFAXECRSA-N 408.429 3.576 0 50 HHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCN(c3ccccc3Cl)CC1)[C@@H]2C(=O)O 222435829 RZZMIAUVCBPSGP-PBGAUENZSA-N 402.922 3.682 0 50 HHAA Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4[C@H]5C=C[C@@H](O5)[C@@H]4C(=O)O)cc3)sc2c1 225692725 DGNJHVRRXNEMGY-FPAYPSAMSA-N 406.463 3.864 0 50 HHAA O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccco3)[C@H]2C(=O)N1Cc1ccccc1 238899438 GKHNZKLMLAWTOH-VAMGGRTRSA-N 408.841 3.980 0 50 HHAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Oc1ccc(-c2ccccc2)cc1 239184785 QZFVGTCQAMIXKK-BSZKWMGISA-N 413.473 3.702 0 50 HHAA O=C(c1ccc2nccnc2n1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 240871439 IKOQFKQLMRRKCM-INIZCTEOSA-N 407.232 3.684 0 50 HHAA CN1CCC[C@@H](COc2cccc(CN(C(=O)c3cn4ccccc4n3)C3CC3)c2)C1 299767641 MQRYZZPKOQYDSD-HXUWFJFHSA-N 418.541 3.860 0 50 HHAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(OCc2ccccc2F)cc1 828247871 DZHARWCZFSIYPZ-KRWDZBQOSA-N 410.489 3.926 0 50 HHAA Cc1[nH]nc(CCC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1C 1704341492 UQWAGFVERZTVDC-RUZDIDTESA-N 415.541 3.923 0 50 HHAA CCn1nc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)O[C@H](c3ccccc3)C2)cc1C 1857715644 AZPWDPXTRVOLKY-XZOQPEGZSA-N 419.481 3.895 0 50 HHAA C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2ccccc2CN(C)C(=O)c2cc3ccccn3c2)O1 1875342986 BUDZSTPEHLLGSA-PMAPCBKXSA-N 419.525 3.641 0 50 HHAA Cn1cc(CN2CC[C@]3(C2)C(=O)N(CCCc2ccccc2)c2ccccc23)cn1 2100473590 IZGNVONLKMOKJH-RUZDIDTESA-N 400.526 3.543 0 50 HHAA Cc1ccc(-c2cc(C(=O)Nc3cccnc3C(N)=O)c3cnn(C(C)C)c3n2)s1 2325720330 JUIRLYIKFOSZJN-UHFFFAOYSA-N 420.498 3.795 0 50 HHAA CC(C)C[C@H](c1ccccc1)S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819366 CHJAAROLKBKZLD-OAQYLSRUSA-N 418.534 3.701 0 50 HHAA Cc1cc(S(=O)(=O)NC(=O)N2CC[C@@H](Cc3cccc(F)c3)C2)ccc1Cl 2325841218 JAFSELDPVWWPDU-HNNXBMFYSA-N 410.898 3.750 0 50 HHAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3ccc(-n4cccn4)cc3)C2=O)cc1 2356150958 JWIILUVAXOYUKC-VWLOTQADSA-N 414.509 3.983 0 50 HHAA CC(=O)Oc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)O)cc2)cc1 1170928 QVGQPSQBPJXMMB-UHFFFAOYSA-N 418.405 3.815 0 50 HHAA O=C(NC[C@H]1CCCO1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 1212551 KRYGXWQFVLVZBQ-CYBMUJFWSA-N 424.810 3.977 0 50 HHAA CC1(C)Cc2c(sc3nc(Cc4c(Cl)cccc4Cl)n(N)c(=O)c23)CO1 2861156 RMNJNVQZDPHDEU-UHFFFAOYSA-N 410.326 3.921 0 50 HHAA O=c1c2ccccc2ncn1CCCCOc1ccccc1I 2862811 NZMUCPHSCLKCJZ-UHFFFAOYSA-N 420.250 3.860 0 50 HHAA CC[C@H](Oc1ccccc1)C(=O)NCCCCNC(=O)[C@H](CC)Oc1ccccc1 4997526 AUWGVQFVPINIFI-VXKWHMMOSA-N 412.530 3.714 0 50 HHAA Cc1cc(OCc2cc(C(=O)N[C@H](C)Cc3cnccn3)no2)cc(C)c1Cl 11661728 FEUJVGWTCQZOLP-CQSZACIVSA-N 400.866 3.675 0 50 HHAA COc1ccccc1CCN1CCC[C@H](CN(C)Cc2cnc(SC)nc2)C1 11707327 DOYQGCCOHKESRE-GOSISDBHSA-N 400.592 3.594 0 50 HHAA Cn1c(CCNC(=O)c2ccccc2F)nnc1SCc1cccc(Cl)c1 12160779 QOIRKAKUDBSYKE-UHFFFAOYSA-N 404.898 3.872 0 50 HHAA COc1ccc(CNCCCSC)c(OC[C@H](O)CN2CCCCCCC2)c1 12208766 FZVXKFUKERTPKL-HXUWFJFHSA-N 410.624 3.544 0 50 HHAA Cc1ccc([C@H](C)CCN2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)o1 14748278 PUNKYBXDPMHCBG-QGZVFWFLSA-N 406.530 3.803 0 50 HHAA O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1C1Cc2ccccc2C1 15004951 FOLMCVDBOBSELU-KNQAVFIVSA-N 418.566 3.544 0 50 HHAA COc1ccccc1NC(=O)Nc1sc(NS(=O)(=O)c2ccccc2)nc1C 16265239 ZEBGFZDETVVZBQ-UHFFFAOYSA-N 418.500 3.905 0 50 HHAA COc1ccc(CN2CCN(Cc3nc(C(C)C)cs3)C[C@@H]2CCO)c(C)c1C 19837743 VZNFOSGCHUFNHX-FQEVSTJZSA-N 417.619 3.961 0 50 HHAA O[C@@H](COc1ccccc1CNCCc1ccc(Cl)cc1)CN1CCCCC1 20454941 KJMWVTLTNPQBQU-JOCHJYFZSA-N 402.966 3.898 0 50 HHAA CCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccc4c(c3)OCCO4)nc21 20604902 ZURGUSXOEZOQET-UHFFFAOYSA-N 421.375 3.760 0 50 HHAA COc1ccc(-n2ccnc2CN(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 22914131 HXFVDWDGYXMZDK-QHCPKHFHSA-N 416.569 3.945 0 50 HHAA Cc1ccc(CCC(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 55042136 PVJIDBIDJUTCTG-XMMPIXPASA-N 409.549 3.880 0 50 HHAA CC(=O)N[C@@H]1CCN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C1 72432545 QTBASGPLWTXDLG-MRXNPFEDSA-N 417.391 3.532 0 50 HHAA C[C@H](CNC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)c1ccccc1 263619104 WYJIOTUFSRVEHL-GOSISDBHSA-N 417.557 3.744 0 50 HHAA Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCO[C@@H](Cn4cccn4)C3)cc12 426370176 ASKNEANOLTZVMG-GOSISDBHSA-N 421.526 3.523 0 50 HHAA CC[C@H](NC(=O)c1ccc(OC)c(N2CCNC2=O)c1)c1ccccc1OC(F)F 460710891 VFLIRDFKQYSKAV-HNNXBMFYSA-N 419.428 3.707 0 50 HHAA CNC(=O)c1cccc(CCNC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c1 482621853 JETWTIJHVNBDGV-UHFFFAOYSA-N 406.313 3.663 0 50 HHAA O=C(NCn1ccc2ccc(F)cc21)c1nc(CCn2ccc3ccccc32)no1 888090511 FFGKFNWQAOAAIT-UHFFFAOYSA-N 403.417 3.748 0 50 HHAA Cc1cc(F)ccc1CN1C[C@@H]2[C@H](CNC(=O)c3ccccc3C)[C@H]3CC[C@]2(C1)O3 1857723520 JTHFFLGJXZYWGZ-XJTUCQONSA-N 408.517 3.852 0 50 HHAA C[C@@H](O)c1cnc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)s1 1875260723 ZLERHOWTDGXGBA-NEPJUHHUSA-N 411.453 3.638 0 50 HHAA Nc1c(C(=O)N(c2ccccc2)c2ccccc2)sc2[nH]c(=O)c(C(=O)O)cc12 1293916 SRKYVUHCYSCIHR-UHFFFAOYSA-N 405.435 3.849 0 50 HHAA COc1cc([C@H]2N[C@H](C(=O)O)CS2)cc(Br)c1OCc1ccccc1 2501108 YTLSLXBJQVQBSF-YOEHRIQHSA-N 424.316 3.825 0 50 HHAA CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)o2)sc(C)c1C 2855811 JDHZDVWCMLCSCY-UHFFFAOYSA-N 407.473 3.915 0 50 HHAA O=C(CSCC(=O)Nc1ccc2ccccc2c1)NCCOc1ccccc1F 2873862 RXWIRQWTEWNPIS-UHFFFAOYSA-N 412.486 3.846 0 50 HHAA O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1CN(Cc1cccc(F)c1)C1CC1 110914649 GJRCGOWKQQVACS-FQEVSTJZSA-N 421.394 3.757 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 72478169 VFFDLWZSBZWLLC-QFIPXVFZSA-N 404.514 3.634 0 50 HHAA CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCc2ccccc2-3)[C@@H](C(=O)O)C1 17093973 YTFMKSKHTNCQDV-IRXDYDNUSA-N 424.522 3.998 0 50 HHAA Cc1cc(Br)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C 225543015 WPIQQMARSRABCM-UHFFFAOYSA-N 423.376 3.572 0 50 HHAA Cc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)c(Cl)cc12 229863352 KBNRRYTZJGLIKS-QAPCUYQASA-N 418.921 3.514 0 50 HHAA CCN(Cc1ccncc1)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426604691 YTNAGBIOYLGGQD-UHFFFAOYSA-N 410.543 3.969 0 50 HHAA O=C(Nc1ccccc1Cl)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 239203440 SJTPZESSUTXFJT-JPKZGUTDSA-N 422.912 3.921 0 50 HHAA Cc1oc2c(c1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc3ccccc13)C(=O)CCC2 1704348972 DJDGWZPHZKPISS-VQIMIIECSA-N 404.466 3.643 0 50 HHAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@H]2CCCN(CC)C2)CC1 11813462 YLNJHQHDZKABAK-IBGZPJMESA-N 420.981 3.786 0 50 HHAA COc1ccccc1CCN1C(=O)CC[C@@H]2CN(C3Cc4ccccc4C3)CC[C@@H]21 12217358 OJESSZXODPNXQQ-VWNXMTODSA-N 404.554 3.718 0 50 HHAA CC(C)OCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12458643 AHUJVSGZIBVBQT-UHFFFAOYSA-N 410.558 3.927 0 50 HHAA CN(C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)[C@@H]1CCOC1 13595911 DNXGOCLDAXFQNW-JOCHJYFZSA-N 408.542 3.633 0 50 HHAA O=C(NCCc1ccccc1)[C@H]1CNC[C@@H](COc2cccc(C(F)(F)F)c2)C1 14740448 KCAUJMYAMSZVFU-ZWKOTPCHSA-N 406.448 3.669 0 50 HHAA COc1ccc(C(=O)NC[C@H]2Cc3cc(-c4ccc(C)cn4)ccc3O2)c(OC)c1 14888141 ZDGSWNLLYSTVKM-LJQANCHMSA-N 404.466 3.808 0 50 HHAA Cc1nnc(SCC(=O)N[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)s1 15067714 JDWBWRQLQKRPEF-INIZCTEOSA-N 413.572 3.935 0 50 HHAA CNc1nc(Nc2ccc(C(C)=O)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 753768 CDUUHIQFVLVPDY-UHFFFAOYSA-N 409.290 3.732 0 50 HHAA biogenic Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 4163843 UOSHCSGYPPXMJU-RLFYNMQTSA-N 412.795 3.752 0 50 HHAA Cc1ccc(-c2cc(C(=O)NCCN(C)C)c3cc(Br)ccc3n2)o1 2867521 BQEBHEOXUBHTAD-UHFFFAOYSA-N 402.292 3.857 0 50 HHAA COc1cc2c3c(c1)C(CSC(=S)N1CCCCC1)=CC(C)(C)N3C(=O)C2=O 1857526208 YRABQSBQBIEOIO-UHFFFAOYSA-N 416.568 3.904 0 50 HHAA O=C1C[C@H]2N(Cc3ccc(C(F)(F)F)cc3)CC[C@]23OC[C@@H](c2ccccc2)N13 1857731829 QHVNCWMARDKANB-ZVDOUQERSA-N 402.416 3.980 0 50 HHAA CCOc1ccc2c(c1)CN(C(=O)N[C@H](c1ccccc1F)c1nccn1C)CC2 1320794754 WZNLQJBIXBXEHG-OAQYLSRUSA-N 408.477 3.815 0 50 HHAA C[C@H](NC[C@H]1OCCc2ccccc21)c1cnn(-c2cccc(Br)c2)n1 2325854153 QAGVIPAJTDSKNY-VBKZILBWSA-N 413.319 3.994 0 50 HHAA COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2-c2ccccc2)cc1 714715 YXXNRAVZJLLDRW-UHFFFAOYSA-N 420.494 3.944 0 50 HHAA COc1ccccc1N1CCN(C(=S)Nc2ccc(Br)cc2)CC1 1137802 AWBIMCIDYJZQMT-UHFFFAOYSA-N 406.349 3.977 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2cccc(Br)c2)cc1 1140950 MCOSZNRRWGRAGJ-KRWDZBQOSA-N 403.276 3.610 0 50 HHAA O=C(Nc1ccccc1Br)C1CCN(C(=O)Cc2ccccc2)CC1 1162967 FUUJGEKMFQLVRU-UHFFFAOYSA-N 401.304 3.869 0 50 HHAA O[C@H](OCCCCCCO[C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1640286 ZQACRPYJMAADEF-HTQZYQBOSA-N 412.952 3.957 0 50 HHAA Cc1c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C 2882086 UCJFEXBWWDSKEA-UHFFFAOYSA-N 412.298 3.592 0 50 HHAA Cc1ccccc1CCN1CCC(CN(C(=O)c2ccc[n+]([O-])c2)C2CCCC2)CC1 12595832 ASKOCOLPZKBYHG-UHFFFAOYSA-N 421.585 3.968 0 50 HHAA CSc1ncc(CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)cn1 15067385 VYWROMVACAMSIL-NRFANRHFSA-N 404.624 3.834 0 50 HHAA O=C(c1cscn1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 15071765 OKPAJFUMJZLAHX-KRWDZBQOSA-N 424.492 3.589 0 50 HHAA COC[C@H]1CCCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)C1 15074388 XYSUPHJPPSBDBK-FQEVSTJZSA-N 423.623 3.506 0 50 HHAA O=C(CN1C(=O)/C(=C2\SC(=S)N=C2O)c2ccccc21)Nc1ccc(F)cc1 16945635 QJQLQVLNWLEURO-NXVVXOECSA-N 413.455 3.510 0 50 HHAA CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccsc3)C2)cc1 170618439 BDMZNHVPQPVKNX-QGZVFWFLSA-N 415.496 3.704 0 50 HHAA CCn1ncnc1CNC(=O)c1cccnc1Sc1ccc(Br)cc1 225438182 JPPJEPKZCPOZHO-UHFFFAOYSA-N 418.320 3.537 0 50 HHAA COc1cc(C(N)=O)cc(I)c1OCc1ccccc1Cl 226360828 UIPJLTQZFLLSNR-UHFFFAOYSA-N 417.630 3.631 0 50 HHAA CC1CCC(N2CCC(N(C)C(=O)c3ccccc3CN3CCOCC3)CC2)CC1 252571561 YGFVNURNZIMRRM-UHFFFAOYSA-N 413.606 3.634 0 50 HHAA COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCn1c(C)csc1=O)CC2 302761634 WEMUSISCGCWJLA-JOCHJYFZSA-N 410.539 3.883 0 50 HHAA COc1cccc(-n2cc([C@H](C)NC(=O)CCn3c(C)nc4ccccc43)cn2)c1 824792510 KRDLEUGUOLJBOR-INIZCTEOSA-N 403.486 3.807 0 50 HHAA Cc1cc(-c2ccc(S(=O)(=O)N3CCC[C@H]3c3ccc(CN(C)C)cc3)o2)on1 952979322 UNPPTHOGYXBXQY-SFHVURJKSA-N 415.515 3.830 0 50 HHAA Cc1oc(-c2ccc(F)cc2)nc1CN1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 1529173295 UVNZQJGKELUKIB-LADGPHEKSA-N 410.489 3.577 0 50 HHAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCOC[C@H](CN2CCCCCC2)C1 1857672579 GIGFGECSZGVXJH-HXUWFJFHSA-N 411.546 3.544 0 50 HHAA O=C(N[C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C(F)(F)c1cnc(O)nc1O 1875257261 FEUNBDSSKWDIBP-ZANVPECISA-N 418.227 3.739 0 50 HHAA CC1(C)OC(=O)c2cc(S(=O)(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)ccc21 2325820234 INKANPNCQCPCRB-CTYIDZIISA-N 405.903 3.970 0 50 HHAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCCC[C@@H]1c1nccs1 2356158901 DJXSFKGNVCATCR-OAHLLOKOSA-N 403.573 3.723 0 50 HHAA Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 671122 LHGTYLFCBYBORS-UHFFFAOYSA-N 402.516 3.577 0 50 HHAA Cc1ccccc1Cn1nc(C)c(NS(=O)(=O)c2c(C)nn(C(F)F)c2C)c1C 2804200 ITQLGMPEVQQFBN-UHFFFAOYSA-N 423.489 3.866 0 50 HHAA Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2882972 FGTSWLVFAPDTLH-QGZVFWFLSA-N 402.516 3.576 0 50 HHAA Cc1cc(=O)oc2cc(OC(=O)CCNC(=O)OCc3ccccc3)c(Cl)cc12 4077389 NAJVOKXEHGVKDM-UHFFFAOYSA-N 415.829 3.977 0 50 HHAA Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)N1CCCCC1 5059674 PJUCDBDBYNNXFU-UHFFFAOYSA-N 415.346 3.806 0 50 HHAA COCCN(Cc1ccc(COC)o1)CC1CCN(Cc2ccccc2F)CC1 11838319 GRHSEJLAKLUCAD-UHFFFAOYSA-N 404.526 3.926 0 50 HHAA O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)[C@H]3CCCO3)CC2)c(Cl)c1 12023265 UUUCMDCPYMDHPC-HXUWFJFHSA-N 420.937 3.561 0 50 HHAA Cc1noc(C)c1CCC(=O)N(C)CC1CCN(CCc2ccc(F)cc2)CC1 12580287 KYESBMAEURVJAR-UHFFFAOYSA-N 401.526 3.776 0 50 HHAA CCc1ccc(CN2CCC3(CC2)C(=O)N(C2Cc4ccccc4C2)C(=O)N3CC)o1 14531927 OQEFQDKZXBJQPZ-UHFFFAOYSA-N 421.541 3.628 0 50 HHAA COCCSc1nnc(CCNC(=O)c2ccc(-c3ccc(C)cc3)cc2)n1C 14971655 RGACQGUKGIUWPR-UHFFFAOYSA-N 410.543 3.502 0 50 HHAA CSc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 16214145 CTFKEWWGSZOFEX-UHFFFAOYSA-N 418.462 3.832 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)ccc1C 16651144 IVVHFVUEOOZKTI-UHFFFAOYSA-N 424.888 3.859 0 50 HHAA COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2nc3ccccc3[nH]2)CC1 20363784 GTHSXSRPGRBLES-UHFFFAOYSA-N 420.513 3.507 0 50 HHAA CC[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 44857013 KHMZHSQPMMSAIE-NRFANRHFSA-N 400.544 3.567 0 50 HHAA CCCOc1ccccc1CN1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 91624854 SZQJVHNYXNLASC-NRFANRHFSA-N 400.563 3.859 0 50 HHAA Cc1sc(=O)n(CCC(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c1C 225604608 DXFVWPQHHBVONJ-UHFFFAOYSA-N 400.504 3.653 0 50 HHAA O[C@H](CNCc1ccc(OCc2ccccc2)c(Br)c1)CN1CCCC1 237961779 FNDJWLALUKKUDG-LJQANCHMSA-N 419.363 3.574 0 50 HHAA CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@H](c2ccccc2)C1 248024718 KWNJDAAJXUHYPI-AQNXPRMDSA-N 411.512 3.850 0 50 HHAA O=C(OCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC1CCN(CC(F)(F)F)CC1 252535881 HBUNVANYESJEDY-RAUXBKROSA-N 410.480 3.761 0 50 HHAA COCC1(CNC(=O)[C@H](C)c2ccc(OC)cc2)CCN(C(=O)OC(C)(C)C)CC1 253416361 JAHMKFFJBIBDHE-QGZVFWFLSA-N 420.550 3.579 0 50 HHAA CCOC(=O)N1CCN(C(=O)C[C@@H](c2cccc3ccccc23)n2cccc2)CC1 263587548 ICWSRESSUDNQFK-QFIPXVFZSA-N 405.498 3.922 0 50 HHAA CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@@H](O)COc1cc(C)cc(C)c1)C2=O 302717383 FMFBATOPHRRWGI-IQJRZOLZSA-N 416.562 3.960 0 50 HHAA Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2c(c1)CCCC2 328590620 SYFYGCHUCKXEFA-HXUWFJFHSA-N 424.545 3.733 0 50 HHAA Cn1c(CNC(=O)C2(c3cccc(F)c3)CCOCC2)nc2cc(Cl)ccc21 491444044 FSTVGXXDBZUJQN-UHFFFAOYSA-N 401.869 3.730 0 50 HHAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N[C@H]3CCCN(Cc4cccs4)C3)c2n1 825148829 CREBXMZXTWKVDZ-ZDUSSCGKSA-N 423.464 3.512 0 50 HHAA Cn1nc(-c2cccs2)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 952977381 AVRPDUOFMWSLBD-MOPGFXCFSA-N 406.555 3.885 0 50 HHAA CCOc1cc(CNC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)ccc1OC 952981674 UEYACWSGUTTYEN-UHFFFAOYSA-N 410.514 3.571 0 50 HHAA Nc1nccc(C2CCN(C(=O)c3ccc(CSc4ccccn4)cc3)CC2)n1 952984088 ZPLXRNRMZKMOAD-UHFFFAOYSA-N 405.527 3.766 0 50 HHAA CNc1nnc(Cc2csc(NC(=O)Cc3c(C)[nH]c4ccc(F)cc34)n2)s1 1529161416 IMQIJFSPXUHEBI-UHFFFAOYSA-N 416.507 3.737 0 50 HHAA CC(=O)N1C[C@@H]2CN(C(=O)c3sccc3Cl)C[C@]2(CCc2ccccc2)C1 1772705626 YGOMDBFFDGAOMR-UTKZUKDTSA-N 402.947 3.955 0 50 HHAA OC[C@@]12CNC[C@@H]1CN(Cc1ccc3c(c1)C1c4ccccc4C3c3ccccc31)C2 1772708479 HOGKWTHONYKFAD-KOBQFJDOSA-N 408.545 3.688 0 50 HHAA Cn1c(Cl)nc2nc(Cl)nc(Nc3cccc(CN4CCSCC4)c3)c21 1875334743 CDLYRRGYUZWOQT-UHFFFAOYSA-N 409.346 3.963 0 50 HHAA CCCNC(=O)c1c(C)[nH]c(C(=O)N2Cc3ccccc3OC3(CCC3)C2)c1CC 1875343507 LISBZOMCRXFAOK-UHFFFAOYSA-N 409.530 3.983 0 50 HHAA CC(C)(C)c1cccc(CCNC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 2325729823 HSRAGYFUMRKZIC-UHFFFAOYSA-N 423.557 3.750 0 50 HHAA O=C(c1c(O)cccc1O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356161171 JNXYAVXCCCNMBM-ZFMNYDKASA-N 424.516 3.795 0 50 HHAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2Cl)c1 909953 PIONEMPAISDVGO-SFHVURJKSA-N 401.850 3.624 0 50 HHAA CC(C)OC(=O)c1ccc(NC(=S)NC(=O)c2cncc(Br)c2)cc1 977569 HWIHVLRRZGTMMI-UHFFFAOYSA-N 422.304 3.536 0 50 HHAA Cn1nc(-c2ccc(C(=O)Nc3ccc4c(c3)C(=O)OC4)cc2)c2ccccc2c1=O 1114492 ULHPUFUSSRBTDV-UHFFFAOYSA-N 411.417 3.523 0 50 HHAA CCCc1nnc(NC(=O)[C@@H](CC)Sc2nnc3c(n2)[nH]c2ccccc23)s1 2774711 PEHFKHXKLSJOCS-GFCCVEGCSA-N 413.532 3.820 0 50 HHAA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 4616340 GPOZKBAFUCAXSJ-JOCHJYFZSA-N 424.497 3.862 0 50 HHAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cscn2)CC1 11932754 DDWMOHLMMCSFNQ-OAQYLSRUSA-N 413.587 3.985 0 50 HHAA Cc1cc(=O)c(C(=O)NCc2nccs2)c(CC2CCCC2)n1Cc1cccnc1 12218529 QITKWSCXGQZLAC-UHFFFAOYSA-N 422.554 3.719 0 50 HHAA Cc1nc2cc(OCc3cc(C(=O)N[C@H](C)Cc4ccccn4)no3)ccc2s1 12432698 DKLJLDPXLKKUJW-CYBMUJFWSA-N 408.483 3.928 0 50 HHAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCC2=NNC(=O)CC2)cc1 12597414 XTEIVLPDVSJJAQ-FQEVSTJZSA-N 421.545 3.710 0 50 HHAA Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 13124029 LUVGKBBKHDPRTJ-WFASDCNBSA-N 424.452 3.577 0 50 HHAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCCc1cccs1)C2 14531167 XAVRYPQQOAKXTE-KRWDZBQOSA-N 400.592 3.526 0 50 HHAA COCCCN(C(=O)c1ccc(-c2ccccc2C)nc1N(C)C)C1CCN(C)CC1 14975038 BVMKGLYEBOQRNA-UHFFFAOYSA-N 424.589 3.696 0 50 HHAA CC(C)Cn1c(=O)c(CNCc2cnn(-c3ccccc3)n2)cc2ccc(F)cc21 14998718 BYAHLRMMNVVMCF-UHFFFAOYSA-N 405.477 3.667 0 50 HHAA COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)sc2c1CCCC2 18204315 OUERDVOUECJYLU-UHFFFAOYSA-N 415.920 3.876 0 50 HHAA O=C(CC[C@H]1CCCN(C(=O)C2=CCCCC2)C1)N1CCN(Cc2ccccc2)CC1 20255368 CDVMGQXEKSYBNR-HSZRJFAPSA-N 423.601 3.850 0 50 HHAA CCOc1ccc2nc(N3CCC(N4CC[C@H](N(CC)CC)C4)CC3)nc(C)c2c1 20998965 RIATUHRRKOIFDC-FQEVSTJZSA-N 411.594 3.722 0 50 HHAA CN(Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O)C[C@@H](O)c1ccccc1 23129127 TWPQOYFHDOVDEM-XMMPIXPASA-N 417.484 3.749 0 50 HHAA O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@]1(O)C(F)(F)F 36056509 KVPDPAYJXWEZAU-JJRVBVJISA-N 414.836 3.609 0 50 HHAA Cc1cccc(-c2ncc(CN3CCN(Cc4ccccc4C)[C@H](CCO)C3)cn2)c1 39485093 PHGLOOLLTQJPKE-RUZDIDTESA-N 416.569 3.829 0 50 HHAA Cc1ccc(NC(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)c(Cl)c1 72119281 RZFWCRCBABCMRQ-UHFFFAOYSA-N 402.930 3.971 0 50 HHAA CCCn1c(C)c(CC(=O)N[C@@H](C)c2nc(CC)no2)c2c1CC(C)(C)CC2=O 95510412 RYLQHDTZAGKJMP-ZDUSSCGKSA-N 400.523 3.727 0 50 HHAA Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(N2CCOCC2)c(F)c1 110869316 FAVOGZXCDLYXPH-UHFFFAOYSA-N 402.514 3.703 0 50 HHAA COc1ccc2[nH]c([C@@H](C)NC(=O)[C@@H](C)Oc3ccccc3Br)nc2c1 170598436 ALMNFFFQMZMFEG-VXGBXAGGSA-N 418.291 3.979 0 50 HHAA COCCN(C)c1ccnc(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)c1 170601878 XZLFCTQUTFSFBT-UHFFFAOYSA-N 406.530 3.974 0 50 HHAA O=C(O)CCCN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 237955731 WSHNGKAZBOXILM-UHFFFAOYSA-N 403.482 3.868 0 50 HHAA CC(C)C(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](c2ccccc2Cl)n2cccn2)CC1 390832675 NXAQEILAYCEIFW-JXFKEZNVSA-N 416.953 3.525 0 50 HHAA COc1ccc(-n2nc(C(=O)N3CCC[C@@H](C4(O)CC4)C3)cc2-c2ccccc2)cc1 1772816749 UGCRINHYGKXIPT-LJQANCHMSA-N 417.509 3.925 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1C[C@H]1c1cccs1 1857798526 LTFCLOZFGILUAA-ZIAGYGMSSA-N 405.526 3.748 0 50 HHAA CN1CC[C@@H](CN=c2cc[nH]c(-c3ccc(F)cn3)n2)[C@H]1c1ccc(Cl)c(F)c1 1875334978 NMCKGOXMSZNLNC-VBKZILBWSA-N 415.875 3.997 0 50 HHAA CCCC(=O)c1cc(F)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C 916757 CXCQOQAQIDPIDJ-UHFFFAOYSA-N 404.507 3.628 0 50 HHAA O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccc(Cl)cc2)CC1 1119605 ZHIMBFCJNJCWBV-UHFFFAOYSA-N 421.769 3.675 0 50 HHAA COc1ccc(-c2noc(CN3CC[C@@H](c4ccc(F)cc4)C3)n2)c(OC)c1OC 20994948 CBIPHGRENOYLIG-OAHLLOKOSA-N 413.449 3.891 0 50 HHAA CC(C)Cn1nc(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c2ccccc2c1=O 433537397 DSCUUWLSTMYDCE-KKSFZXQISA-N 405.498 3.517 0 50 HHAA O=C(Cc1cccc(N2CCCC2=O)c1)NCc1ccc(Oc2cccnc2)c(F)c1 485750954 SSFGZTFCOKHVOB-UHFFFAOYSA-N 419.456 3.999 0 50 HHAA Cc1c[nH]c(CNC(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)n1 77504680 NSFKZMXCXHLHHN-UHFFFAOYSA-N 407.518 3.680 0 50 HHAA CCO[C@H]1C[C@H](N(C)C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1(C)C 170636678 CNCPXSMWDWHNAH-OALUTQOASA-N 403.473 3.915 0 50 HHAA Cc1ccccc1Cn1cc(NC(=S)N2CCN(Cc3cccc(F)c3)CC2)cn1 20028684 GKZYFYKKGDXDHD-UHFFFAOYSA-N 423.561 3.894 0 50 HHAA Cc1cc(O)cc(=O)n1CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C(C)C 334160730 LEDBLXKSQNTAKZ-OAQYLSRUSA-N 422.529 3.937 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cccc(C(F)(F)F)c4)c3CO2)cc1 263618550 UHWXAKINMQZOSP-KRWDZBQOSA-N 418.375 3.829 0 50 HHAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCOc2ccc(Cl)cc2C1 11661600 OZTFOXJUKKDYRR-UHFFFAOYSA-N 421.259 3.807 0 50 HHAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2ccnc(Cl)c2)C1 11879618 QHIKOSJKZFPSMH-JOCHJYFZSA-N 416.905 3.990 0 50 HHAA O=C(NC[C@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)c1coc2c1C(=O)CCC2 12079838 BCPVTNWKMOCZPD-MRXNPFEDSA-N 406.413 3.733 0 50 HHAA COc1cccc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c1 12240883 NKJFKASWHJXSAB-NQIIRXRSSA-N 424.570 3.831 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4scnc4C)C3)C2)c1 12315958 ZOPUIDSPNJAHKK-OAQYLSRUSA-N 403.523 3.728 0 50 HHAA Cc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 2879600 QMBVQOSZEVOETO-UHFFFAOYSA-N 418.902 3.753 0 50 HHAA C[C@H](OC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)c1ccccc1 17986859 YJYHXTHZKFWVIC-SZMVWBNQSA-N 403.434 3.570 0 50 HHAA COc1cc(Cl)ccc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 1133003 LRZJPKUDDWHAHB-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 6268887 IHCJNPCEDORBQE-UHFFFAOYSA-N 402.497 3.732 0 50 HHAA O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CC[C@H](c2ccccc2)C1 1156389 QATWCMFUDHETCL-URXFXBBRSA-N 424.500 3.910 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(C)c1 1157824 LXDIQNRCRBSRRR-UHFFFAOYSA-N 416.524 3.905 0 50 HHAA CCOC(=O)c1ccc(N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 5796458 MEDCQMBHKJOYTI-OAHLLOKOSA-N 405.665 3.995 0 50 HHAA Cc1cc(CN2CCCC(=O)N3CCCC[C@@H]3CCc3cccc(c3)OCC2)on1 1857702784 PKOFLEFSFJINNP-OAQYLSRUSA-N 411.546 3.972 0 50 HHAA CCOc1cc2c(cc1CNC(=O)[C@@H]1CC(c3cc(C)ccc3C)=NO1)O[C@@H](C)C2 1264928495 BXPXUMWYFRCOSU-HJPURHCSSA-N 408.498 3.835 0 50 HHAA COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2OC(C)C)cc1 706417 RAYPJFXAUKAFNC-OAQYLSRUSA-N 410.470 3.854 0 50 HHAA CN(C(=O)c1cccc(Cn2cccn2)c1)[C@H]1CCCN(Cc2ccccc2F)C1 12836025 UGFGXJRZQDKEFB-QFIPXVFZSA-N 406.505 3.807 0 50 HHAA C[C@]1(c2cccs2)C[C@H]1CNC(=O)NCc1cc2c(cc1OC(F)F)OCO2 2325737786 WYUXOHGICPVFTJ-BUXKBTBVSA-N 410.442 3.855 0 50 HHAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 1200008 GFGLOLOOOSNLRS-GFCCVEGCSA-N 405.834 3.628 0 50 HHAA CCn1nc(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cc1C 2356155465 IDZGEJVIZYJVFJ-XMMPIXPASA-N 401.514 3.789 0 50 HHAA CC(C)CCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 4712785 RPWBVDXQQFNLHZ-UHFFFAOYSA-N 400.972 3.587 0 50 HHAA CCOC(=O)[C@]12C(=O)OC(C)(C)[C@@H]1[C@]2(CC)C(=O)c1ccc(Br)cc1 100641789 HHJZEZAEEBZHAM-CCKFTAQKSA-N 409.276 3.543 0 50 HHAA biogenic COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1 225540882 DFTGTYWPSSXKEV-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA COC(C)(C)C[C@@H](C)NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 225808706 GPQZUPCVCHAOPC-MRXNPFEDSA-N 417.575 3.509 0 50 HHAA CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(Cl)nc2OC2CCC2)C1 170595808 ZQGRWFCHHDVVGA-ZDUSSCGKSA-N 409.914 3.748 0 50 HHAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 426190462 FOMAUFMBBCTSLW-CWEPVFGFSA-N 408.517 3.570 0 50 HHAA O=C1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CCN1 72418945 MAQXBKBCCZOVKG-UHFFFAOYSA-N 409.873 3.606 0 50 HHAA O=S(=O)(NCc1cccc(Br)c1)c1ccc(Br)s1 13324122 GALANZTYFUDXQA-UHFFFAOYSA-N 411.140 3.752 0 50 HHAA Fc1cccc(Cl)c1Cn1cc(Cl)c(NC(=S)NC[C@H]2CCCO2)n1 17082608 GUFIBHNBQXJKAB-SNVBAGLBSA-N 403.310 3.843 0 50 HHAA COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)O)cc2)o1)c1cc2c(cc1O)OCO2 253398010 BUZGTNQPAJYLJK-OAHLLOKOSA-N 410.378 3.774 0 50 HHAA biogenic Cc1ccc2c(c1)CN(CCC(=O)N(Cc1c(C)nn(C)c1C)C(C)C)C[C@H](C)O2 299773714 DJUPVHHIECPROS-SFHVURJKSA-N 412.578 3.756 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)cc1 952869966 RGJPNKKYFCOAPD-SFHVURJKSA-N 417.465 3.870 0 50 HHAA Cc1nc[nH]c1CN1C[C@@H]2CN(Cc3nccs3)C[C@]2(CCc2ccccc2)C1 1772804109 GIYWBGUILVVGFC-OFNKIYASSA-N 407.587 3.741 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccccc2)cc1 655153 XLLUZGQIFXOUGE-UHFFFAOYSA-N 424.522 3.549 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(C)on2)C1 11950751 CYTLYGAVIYUCID-AWEZNQCLSA-N 405.882 3.916 0 50 HHAA COCCNC(=O)c1cccc(OC2CCN(Cc3ccnc4ccccc34)CC2)c1 12448805 SOQQNECPISSQMV-UHFFFAOYSA-N 419.525 3.654 0 50 HHAA COc1ccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c(OC)c1 169753516 ZIAJVLPPHDIUOJ-KRWDZBQOSA-N 424.476 3.632 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)CC1 4472799 GNHAFUQUHRHYCK-UHFFFAOYSA-N 404.557 3.838 0 50 HHAA NC(=O)c1c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)sc2c1CCCC2 2628391 XHIHKEPIGAKSSE-OAHLLOKOSA-N 400.500 3.536 0 50 HHAA CCOc1ccccc1N1C(=O)C[C@H](Sc2nc(C)c3cc(OC)ccc3n2)C1=O 792823 KDMKIXCQDDHJOM-IBGZPJMESA-N 423.494 3.770 0 50 HHAA O=C(c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCSCC1 866663 QGXBJKKEGIDPAJ-YPMHNXCESA-N 402.467 3.794 0 50 HHAA Cc1ccc(N(C(=O)c2ccc(Br)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 1317962 ALTXUCMXKGFFCO-QGZVFWFLSA-N 406.301 3.715 0 50 HHAA CN(C)CCCOc1ccc(-c2nccn2C2CCN(c3ncccn3)CC2)cc1 1857700332 TWTUBNOLIANETE-UHFFFAOYSA-N 406.534 3.512 0 50 HHAA CC(C)CCN1CC2(CCN(C(=O)c3cnc4ccccc4c3)CC2)OCCC1=O 1857712526 QCVIAEHPKUVFRG-UHFFFAOYSA-N 409.530 3.505 0 50 HHAA COc1cccc2c1OCCN(C(=O)c1ccc(C(=O)Nc3ccccc3)cc1)C2 1875327809 LYXIRCUFKALMPU-UHFFFAOYSA-N 402.450 3.982 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)C1 1875371660 INZSIVZUXVAINC-NVXWUHKLSA-N 412.477 3.747 0 50 HHAA CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 1423134 RZKLLIROISQQJH-IBGZPJMESA-N 410.861 3.561 0 50 HHAA CCOc1ccc(CN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 822662 RETNTHCDGFYJTP-UHFFFAOYSA-N 414.513 3.536 0 50 HHAA CCCOc1ccc(/C=c2/sc3nc(-c4ccc(OCC)cc4)nn3c2=O)cc1 2533330 VTUFTEMCRXWGLQ-XMHGGMMESA-N 407.495 3.553 0 50 HHAA COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccccc1C(F)(F)F 2871547 UKKCYJLPKKJHKV-KRWDZBQOSA-N 400.360 3.896 0 50 HHAA CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1 4412900 GWHPETCXCHMIPV-UHFFFAOYSA-N 415.921 3.588 0 50 HHAA CN(Cc1nc2ccccc2s1)C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 12090340 KGDOJMLDTRBKGT-UHFFFAOYSA-N 422.466 3.666 0 50 HHAA CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CSc2ccncc2)CC1 12197081 FUXNXDVHHNMESU-UHFFFAOYSA-N 411.571 3.851 0 50 HHAA COC(=O)[C@@H](NC(=O)c1csc2nc(-c3ccccc3OC)cn12)c1ccccc1 12316807 UVCCAJWBXZMIEB-IBGZPJMESA-N 421.478 3.716 0 50 HHAA COc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccccc2)cc1 15821932 LRUXAKIDHPFLGD-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 16122263 QILGDVBYUVAHSX-OKILXGFUSA-N 414.574 3.501 0 50 HHAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C)CC1 16624338 DPVJVPJSNXEAON-UHFFFAOYSA-N 416.543 3.660 0 50 HHAA COc1cc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc(OC)c1OC 19359861 BPODBJNIXZVMBD-UHFFFAOYSA-N 400.563 3.655 0 50 HHAA CN(Cc1ccc2nonc2c1)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 19853616 YHILZBBDZBETKZ-UHFFFAOYSA-N 403.364 3.847 0 50 HHAA Cc1oc(-c2cccs2)nc1CN1CCN(Cc2ccsc2)[C@H](CCO)C1 22853611 UNEBJTIMZAWRJQ-QGZVFWFLSA-N 403.573 3.842 0 50 HHAA CN(Cc1nccs1)Cc1ccccc1OC[C@H](O)CN(C)C1CCCCC1 55183426 UQAVEWSZATZHEC-HXUWFJFHSA-N 403.592 3.779 0 50 HHAA Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 170623564 GMHYQIPEPSAOKT-HXUWFJFHSA-N 415.559 3.731 0 50 HHAA COc1ccc(CNC(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cc1 229428253 JJYFSVXSZXCTHI-UYAOXDASSA-N 402.560 3.741 0 50 HHAA COc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239090992 HOMHFMIPIGNPOE-NEEVBFIGSA-N 414.461 3.505 0 50 HHAA CC(C)[C@H](NC(=O)c1cc(-c2ccc(F)cc2)n(CC2CCCCC2)n1)C(N)=O 575598583 XMZXGVYPIIOHAQ-FQEVSTJZSA-N 400.498 3.509 0 50 HHAA in-vitro COc1ccc(NC2(C(=O)NCCCc3nnc4ccccn34)CCCCC2)cc1 1506430023 WUARWORHBVWZLK-UHFFFAOYSA-N 407.518 3.602 0 50 HHAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cc(O)nc3cc(F)ccc13)CC2 1857701312 RZAJHEXMICRURM-UHFFFAOYSA-N 416.456 3.721 0 50 HHAA COC(=O)c1ccc2ncnc(N[C@H]3COc4ccc(Br)cc4C3)c2c1 2325839135 JYSSVLQTLXQVDU-CQSZACIVSA-N 414.259 3.595 0 50 HHAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(=S)NCc1cccnc1 956739 FCDSZURTKAWXST-UHFFFAOYSA-N 404.854 3.642 0 50 HHAA COc1ccccc1C(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 1001628 AKJCBNUORDAQNA-UHFFFAOYSA-N 415.493 3.910 0 50 HHAA CCOc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccc(CC)cc3)C2=O)cc1 1051809 KUAFUXASZGPXCX-IBGZPJMESA-N 412.511 3.652 0 50 HHAA Cc1cc(I)ccc1NC(=S)NC(=O)c1cccs1 2369702 JNBWUFHFIUFGFI-UHFFFAOYSA-N 402.282 3.788 0 50 HHAA CCCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)c2ccccc12 2887319 ABBPCZDRVSGQPA-UHFFFAOYSA-N 405.516 3.592 0 50 HHAA CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCc1ccc2c(c1)OCO2 4113544 BIMUJKHZHKKVFX-OAQYLSRUSA-N 424.453 3.575 0 50 HHAA CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3)cc2)CC1 4121770 ASGJDZRYZXJIEI-UHFFFAOYSA-N 424.570 3.571 0 50 HHAA COc1ccc(NC(=O)NCCCN2CCN(c3ccc(SC)cc3)CC2)cc1 5069310 AECYRFYLCGUJJB-UHFFFAOYSA-N 414.575 3.751 0 50 HHAA Cc1c(CN2CCC3(CC2)C[C@@H]3C(=O)NCc2ccccc2C(F)(F)F)cnn1C 11782745 WCPDWJYMPRBBQM-LJQANCHMSA-N 420.479 3.666 0 50 HHAA O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1Cc1ccc(CO)o1 12387722 IFRWFYZAUSFWAK-QFIPXVFZSA-N 407.470 3.952 0 50 HHAA O=C(Nc1ccc2[nH]ccc2c1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 12408779 IYDOPKJKHRRRLE-UHFFFAOYSA-N 405.479 3.899 0 50 HHAA Cc1ccc(OCCN(C)C(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)cc1 12592575 GDBGKFSYMXQANM-UHFFFAOYSA-N 418.497 3.920 0 50 HHAA CN1CCC[C@@]2(CCCN(Cc3nc(Cc4cccc(C(F)(F)F)c4)no3)C2)C1 12715668 DFZYFWYFYCQVCS-HXUWFJFHSA-N 408.468 3.987 0 50 HHAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)CCN2CCCO2)C1 12747837 AFCRLVUPQDZNFA-HXUWFJFHSA-N 410.489 3.941 0 50 HHAA Cc1cccc([C@H]2CCCN(C(=O)C[C@]3(c4ccccc4F)CC(=O)N(C)C3=O)C2)c1 14879846 ILWZZIOCYXWARN-DFBJGRDBSA-N 422.500 3.557 0 50 HHAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cnc(-c4ccccc4)s3)C2)CC1 23359400 OSZYZHZVTDETFN-LJQANCHMSA-N 414.575 3.549 0 50 HHAA Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 170599057 OLFLHAQFCYBGLI-RTWAWAEBSA-N 407.493 3.833 0 50 HHAA Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 170599059 OLFLHAQFCYBGLI-NHCUHLMSSA-N 407.493 3.833 0 50 HHAA Nc1nccn2c([C@H]3CCCN3C(=O)OCc3ccccc3)nc(Br)c12 208770136 DLXYYJDQLZHBNU-CYBMUJFWSA-N 416.279 3.548 0 50 HHAA COc1ccccc1C(=O)N1[C@H](C(=O)Nc2cccc3nonc23)C[C@H]2CCCC[C@@H]21 225795460 GJFGQJAXKOKWPZ-CCKFTAQKSA-N 420.469 3.643 0 50 HHAA O=S(=O)(NCc1ccccc1CN1CCCCC1)c1c[nH]c2cccc(F)c12 474587847 ZVJAWXXNYNFJCX-UHFFFAOYSA-N 401.507 3.771 0 50 HHAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1noc(-c3cccs3)n1)O2 670460090 SXROYYNRDQBTNW-OAQYLSRUSA-N 413.499 3.829 0 50 HHAA Cc1ccc(C(F)(F)F)cc1CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704310472 YIMNMOUEIRISNE-PZJWPPBQSA-N 407.432 3.894 0 50 HHAA O=C(N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1n[nH]c2c1CCCCC2 1775986992 MYLFLKJDOHJUKO-CQSZACIVSA-N 411.456 3.565 0 50 HHAA O=C(N=c1cc(C2CCOCC2)o[nH]1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 1857531528 MDNIEPZPXBWKPW-HNNXBMFYSA-N 414.289 3.543 0 50 HHAA C[C@@H](NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1)c1ccc(OCC(N)=O)cc1 1875261010 FBSLLFIBPWPXBG-APWZRJJASA-N 420.513 3.682 0 50 HHAA CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1 590964 QFCXANHHBCGMAS-UHFFFAOYSA-N 409.833 3.953 0 50 HHAA in-man Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)COc2ccccc2C)n1 1123343 DPLYJKLQGYJTFM-UHFFFAOYSA-N 405.454 3.733 0 50 HHAA CCOc1ccc(N(CC(=O)Nc2c(CC)cccc2CC)S(C)(=O)=O)cc1 1143969 RTEMRLCMXITQDA-UHFFFAOYSA-N 404.532 3.615 0 50 HHAA COc1ccc(/C=C2\SC(=O)N(CCC(=O)Nc3ccccc3)C2=O)cc1OC 1210235 IHUQJNWWFPKMFR-AQTBWJFISA-N 412.467 3.769 0 50 HHAA aggregator CCc1cc2c(C)cc(=O)oc2cc1OC(=O)CCNC(=O)OCc1ccccc1 1785577 LCZOTBAVALDOOI-UHFFFAOYSA-N 409.438 3.886 0 50 HHAA CCOc1ccccc1N1CCN(C(=O)C2CCN(C[C@H]3CC=CCC3)CC2)CC1 2828229 MTEFEMYTWMEHFL-NRFANRHFSA-N 411.590 3.802 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(C)c1C 2840641 CKIPHOCQKHMSHW-AWEZNQCLSA-N 416.499 3.542 0 50 HHAA C[C@H](Sc1nc(=O)c(-c2ccccc2)c(O)[nH]1)C(=O)Nc1ccc(Cl)cc1 2841561 OGETWRVLVJZZOE-NSHDSACASA-N 401.875 3.915 0 50 HHAA CSc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)[C@H]2Cc4ccccc4O2)CC3)cc1 12054746 IMQMOJQGWUYOAN-TZIWHRDSSA-N 422.550 3.979 0 50 HHAA CCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)s1 12112310 JXAVNPTVGYHRNL-HNNXBMFYSA-N 423.556 3.611 0 50 HHAA Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)nc(N)n1 12431550 MFGOEISDRDYSQU-FQEVSTJZSA-N 400.482 3.769 0 50 HHAA COc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)cc1C 12438662 SOJGOINGYRHVSE-WATLYSKOSA-N 406.526 3.950 0 50 HHAA C[C@H](Cc1ccsc1)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 12710956 HAHOCCSNJVZWTK-MRXNPFEDSA-N 412.555 3.889 0 50 HHAA c1cnn(CCCN(CCN2CCCCC2)C[C@@H]2CCCN(C3CCCC3)C2)c1 19222553 FPTGUDZVJOSFFF-QHCPKHFHSA-N 401.643 3.716 0 50 HHAA COc1ccc(Br)cc1CN1CCN(C(=O)c2ccc(F)cc2)CC1 19559174 FBJXXKDGBMEHDR-UHFFFAOYSA-N 407.283 3.555 0 50 HHAA Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)CC1 19741161 AQAAOESVHFCTBB-HSZRJFAPSA-N 419.548 3.798 0 50 HHAA CCn1ccnc1CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 19956692 XAOTWLAZZLEMFS-UHFFFAOYSA-N 406.534 3.508 0 50 HHAA Cc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 20206373 YRVFJHCJOVETFD-JOCHJYFZSA-N 406.574 3.731 0 50 HHAA CCc1cc2c(=O)[nH]c([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3)nc2s1 170596407 HYIQMSBAOYNIGP-SNVBAGLBSA-N 418.316 3.830 0 50 HHAA C[C@H](OC(=O)c1c2c(nc3ccccc13)CCN(C)C2)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 239309556 HRVHXBQIXOYFAS-PDOICOKGSA-N 423.557 3.709 0 50 HHAA NC(=O)Nc1cccc(C(=O)OCc2c(F)c(F)c(Br)c(F)c2F)c1 252506347 VZUWCIOZJVKUEU-UHFFFAOYSA-N 421.144 3.853 0 50 HHAA COc1cc(Cl)c(CN2CCC3(CC2)C[C@@](C)(O)CCO3)c(Cl)c1OC 1704328300 LSRZYERQCRBSTG-SFHVURJKSA-N 404.334 3.907 0 50 HHAA COCC(=O)N1CCCCOc2cc(ccc2OC)Cc2[nH]c3ccccc3c2CC1 1857689075 NZLSBDHZHKRDER-UHFFFAOYSA-N 422.525 3.957 0 50 HHAA Cc1nc(N2CCOCC2)sc1C(=O)N(C)[C@H](C)c1cc(-c2ccccc2)n[nH]1 1857728540 GKRVFGICAPOXSM-OAHLLOKOSA-N 411.531 3.511 0 50 HHAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC=C(c2cn(C)c3ccccc23)CC1 1875256386 KICNAAIQAJDVMV-JOCHJYFZSA-N 417.509 3.761 0 50 HHAA O=C1NC[C@@H](C(=O)Nc2ccc3nc(Cc4ccc(F)cc4)[nH]c3c2)c2ccccc21 2325874946 BULZROLQDDQUJR-LJQANCHMSA-N 414.440 3.759 0 50 HHAA C[C@@H]1CCc2c(sc3nc(SCC(=O)NCc4ccccc4)n(C)c(=O)c23)C1 1159874 AKECPXJPHULJPI-CYBMUJFWSA-N 413.568 3.528 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 1169123 NLMQIRQGPAJQLQ-UHFFFAOYSA-N 421.457 3.695 0 50 HHAA CCOc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 1201408 JTTYPSKMTQFILM-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA COCn1cc(NC(=O)c2ccc(COc3c(F)c(F)c(F)c(F)c3F)o2)cn1 2799978 AQWRWCZFCBOLTP-UHFFFAOYSA-N 417.290 3.607 0 50 HHAA CN(CC(=O)N(Cc1ccccc1)C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 2862575 KWXZATZNMROJQR-UHFFFAOYSA-N 408.951 3.788 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)CC1 4472798 YEZQPHDCCZNMCR-UHFFFAOYSA-N 416.543 3.905 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccc(Cl)cc2)c1 4819462 XSVZYXBQQLADTF-UHFFFAOYSA-N 410.923 3.560 0 50 HHAA Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1CNC[C@@H]1CCCO1 4992337 FOFDCQHEZOTDFJ-SESVDKBCSA-N 400.906 3.580 0 50 HHAA CN(Cc1ncc[nH]1)C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1 11664289 XVUQUGKIXRERSH-UHFFFAOYSA-N 401.470 3.642 0 50 HHAA Cc1nc2ccc(C(=O)N3CCC[C@H](CNC(=O)c4ccc(F)cc4)C3)cc2nc1C 11764122 GCRXNEGKVHJAJK-QGZVFWFLSA-N 420.488 3.668 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(Cc3ccc4cccnc4c3)CC2)O1)c1ccco1 11785543 FBJOABQZRNRNDE-FQEVSTJZSA-N 405.498 3.771 0 50 HHAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@H]1c1nccs1 11816147 DTVSPUYRYLKEPO-INIZCTEOSA-N 405.886 3.943 0 50 HHAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)COc2ccc(Cl)cc2)O3)n1 12023232 SVZMPDNYLIOWJM-HXUWFJFHSA-N 423.900 3.913 0 50 HHAA O=S(=O)(c1ccc(F)c(F)c1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 12151061 XTRAWHZINXJBCM-UHFFFAOYSA-N 403.454 3.923 0 50 HHAA COc1cc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc(Cl)c1O 12373205 LXXJMZCPDFQMNN-CQSZACIVSA-N 406.885 3.835 0 50 HHAA O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)CC1 12475226 FWHXLJLYGGEMKO-NRFANRHFSA-N 422.500 3.686 0 50 HHAA CCn1nccc1-c1cc(C(=O)O)n2nc3nc(C(F)(F)F)cc(C4CC4)c3c2n1 13645629 PIKYOJWTJRCJNK-UHFFFAOYSA-N 416.363 3.755 0 50 HHAA O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCC2)CN(Cc2ccccc2)C1 14746116 HJGCOOVVKNONDQ-UXHICEINSA-N 409.505 3.525 0 50 HHAA O=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1 14972023 LHKGQBXYVLHTNZ-UHFFFAOYSA-N 414.466 3.600 0 50 HHAA CSc1cccc(NC(=O)COc2ccc(-c3ncccn3)cc2CN(C)C)c1 14980045 NUSCTCQTWGKGCP-UHFFFAOYSA-N 408.527 3.945 0 50 HHAA Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CCN([C@@H](C)Cc2cccnc2)CC3)cc1 14996595 GWORXNYQGUOQHR-XUZZJYLKSA-N 421.585 3.961 0 50 HHAA Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1C 17976278 UVOZQROLTOPGGO-RTBURBONSA-N 417.461 3.799 0 50 HHAA COc1ccc([C@@H](C)NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)cc1 20602104 GKVQUTFTFWYENI-KZULUSFZSA-N 403.276 3.828 0 50 HHAA CCc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 20998000 KHIDEZSFUASJQW-QFIPXVFZSA-N 421.545 3.619 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1Cl 67614110 RVCSLXDSMQRVCC-UHFFFAOYSA-N 408.907 3.776 0 50 HHAA COCc1c(C(=O)N2C[C@H]3CC[C@H]2C3)cnn1-c1nccc(-c2cc(C)sc2C)n1 102692060 JOGIQTMPHHNCBT-HOTGVXAUSA-N 423.542 3.779 0 50 HHAA C[C@H](Nc1ccc(NC(=O)CCc2nc(-c3nnc[nH]3)no2)cc1)c1ccccc1 109709072 GMUUCNWWZKAHRG-AWEZNQCLSA-N 403.446 3.599 0 50 HHAA CN(C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1F 238950616 YZCSIIBTITZEQU-OAHLLOKOSA-N 409.285 3.853 0 50 HHAA Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)CC2)cc1 239235602 WHGUELHYNSHDCW-VCGFRXSMSA-N 404.510 3.545 0 50 HHAA C[C@H](OC(=O)c1cc(=O)c2cc(Cl)ccc2o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 252458536 PLOUSOOVTSNWOG-NFFDBFGFSA-N 405.878 3.933 0 50 HHAA CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl 253416644 XQKWLHKGNHNKJZ-RVKKMQEKSA-N 401.309 3.622 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(C)c(C)c4)ccn3n2)cc1 263617556 OJJDEAQKKAFJCU-QHCPKHFHSA-N 403.482 3.912 0 50 HHAA O=S(=O)(c1ccccc1-c1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 497942663 BOCUNBUREDUMGY-GOSISDBHSA-N 408.527 3.917 0 50 HHAA CN(Cc1cccc2cccnc12)C(=O)c1cc2cc(C3(O)CCNCC3)ccc2o1 823635074 SLIVEDRTWAGQNV-UHFFFAOYSA-N 415.493 3.824 0 50 HHAA O=S(=O)(c1ccccc1)N1CCC(c2ccccc2)(c2nc(C3CC3)no2)CC1 2325736036 PIHHQUFUVRHCKG-UHFFFAOYSA-N 409.511 3.718 0 50 HHAA COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(C)C)c(Cl)c2)Cc2ccccc21 2325819162 XCULAOYUGWQRKI-GOSISDBHSA-N 407.919 3.925 0 50 HHAA CN1CCC(CC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 2356145196 FUBIVSFNZQVVOT-RUZDIDTESA-N 404.558 3.682 0 50 HHAA CCCCOc1ccccc1C(=O)N1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1 2356157957 AABSLNCRSDNMKJ-DEOSSOPVSA-N 408.546 3.842 0 50 HHAA COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCc2ccccc2)cc(Cl)c1O 885754 SISFEVBSXFQDLW-GOSISDBHSA-N 416.861 3.768 0 50 HHAA CCOc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2CC)S(C)(=O)=O)cc1 1118435 ZRKNRGDXEIGMJM-MRXNPFEDSA-N 404.532 3.749 0 50 HHAA C[C@H](OC(=O)CCC(=O)Nc1ccc(Br)cc1)C(=O)c1ccccc1 2814266 UFYYFKYWGDBIPZ-ZDUSSCGKSA-N 404.260 3.982 0 50 HHAA CCCCN1C=C(C(=O)OC)C(c2ccc(OC(C)C)c(OC)c2)C(C(=O)OC)=C1 2868402 LLXOYINIEMMPEV-UHFFFAOYSA-N 417.502 3.796 0 50 HHAA CC(=O)c1ccc(N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 7058746 RRXJLXHSARIQFD-UHFFFAOYSA-N 400.544 3.634 0 50 HHAA COc1ccc(OCc2cc(C(=O)N(C)[C@@H](C)c3nccs3)n[nH]2)c(Cl)c1 11661975 GINBNYCZNOTZEW-NSHDSACASA-N 406.895 3.940 0 50 HHAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1OC 11842947 YMNRNSCDGQBGTR-INIZCTEOSA-N 402.457 3.512 0 50 HHAA O=C(c1ccco1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 11912339 ZMWPQJNMEXANMO-UHFFFAOYSA-N 417.509 3.637 0 50 HHAA O=C(NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1ccc2[nH]ccc2c1 11912350 VLIRSOVTOXLEPG-OAQYLSRUSA-N 404.514 3.507 0 50 HHAA O=C(Nc1ccnn1C1CCN(CCCn2cccn2)CC1)c1ccccc1Cl 12387381 WMBFBDAPZPZEBT-UHFFFAOYSA-N 412.925 3.713 0 50 HHAA Cc1cccc(-n2c(S)nc(=O)c3c(C(=O)O)cc(-c4ccc(F)cc4)nc32)c1 20605713 PHWKUQGVNLPNKQ-UHFFFAOYSA-N 407.426 3.882 0 50 HHAA CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc12 22065077 PRDRPGSRUMNUDN-UHFFFAOYSA-N 416.455 3.677 0 50 HHAA OCC[C@H]1CN(Cc2cnn(-c3ccccc3F)c2)CCN1CCCc1ccccc1 23373895 AXEXRAZVQLVEKS-QHCPKHFHSA-N 422.548 3.513 0 50 HHAA Cc1ccc(C2(c3noc(CN4CCN(c5ccncc5)CC4)n3)CCCC2)cc1 55133367 FOMVYUDCMNWGTD-UHFFFAOYSA-N 403.530 3.955 0 50 HHAA c1ccc(CCCc2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)cc1 65362899 OJIGSJOLISRTIW-UHFFFAOYSA-N 418.570 3.683 0 50 HHAA Cc1cccc(Nc2ccc(N3CCN(C(=O)Nc4cccc(F)c4C)CC3)nn2)n1 72139274 UPPTWJVKBWELJE-UHFFFAOYSA-N 421.480 3.725 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c2cccc(C)c2)cc1 101668227 SVGJNGAAAHFLAL-IPJJNNNSSA-N 412.555 3.804 0 50 HHAA CC(C)c1ccc(CNC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)cc1 169759855 NFKZZCUIKMAYGF-HSZRJFAPSA-N 419.481 3.937 0 50 HHAA Cc1nc(CS(=O)(=O)c2ncc(-c3ccccc3)n2CC(F)(F)F)cs1 303454019 KDVAGBKYXSPKLN-UHFFFAOYSA-N 401.435 3.851 0 50 HHAA Cc1nc(NS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)nc2c1CCCC2 328594492 NZVWDGITZTWKDI-UHFFFAOYSA-N 421.482 3.668 0 50 HHAA NC(=O)c1ccc(NC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)cc1F 432068024 DCODJKUAALCNFZ-UMSPYCQHSA-N 424.245 3.894 0 50 HHAA COc1cc(-n2ccnc2-c2coc(-c3ccccc3)n2)ccc1NS(C)(=O)=O 1857681070 WXWNJBXFCSTLPK-UHFFFAOYSA-N 410.455 3.574 0 50 HHAA Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2cc3cc(Cl)ccc3n2C)s1 2325853973 JNBLPUIAOOYTOS-HNNXBMFYSA-N 420.947 3.750 0 50 HHAA CCc1cc(C(=O)N[C@H](Cc2cccc(C(F)(F)F)c2F)C(=O)O)cc2c[nH]nc12 2325877688 XRXVQSMQRBDBEK-OAHLLOKOSA-N 423.366 3.709 0 50 HHAA O=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 2883279 JWGHNFVMQIHJCA-AEFFLSMTSA-N 419.535 3.757 0 50 HHAA O=C(CCc1ccccc1O)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 4867561 OVRJFIOBVJSEKT-SFHVURJKSA-N 412.795 3.866 0 50 HHAA COC(=O)Nc1ccc(NC(=O)C(=O)N2CC3(CCCC3)c3c(F)cccc32)cc1 225475978 GYUNHYNNKUCCAE-UHFFFAOYSA-N 411.433 3.801 0 50 HHAA OC1(c2ccc(Cl)cc2)CCN(Cc2nc(Cc3ccccc3F)no2)CC1 11932996 LQNXFVLCQOIWBD-UHFFFAOYSA-N 401.869 3.937 0 50 HHAA CCN1CCN(C(=O)CCC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 67783694 GVDBJJHHHAVQFG-UHFFFAOYSA-N 411.512 3.862 0 50 HHAA C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 252444104 OWOBMBYGKWKREV-APWZRJJASA-N 415.534 3.532 0 50 HHAA CN(C)C(=O)C[C@@H]1CN(C(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)c2ccc(Cl)cc21 476101583 AUAPCBXTJMKROB-ZWSNJMLGSA-N 410.945 3.643 0 50 HHAA C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)CCc1nc(C2CCCC2)no1 253418693 ZUFALUYLVNOBEM-CLCXKQKWSA-N 420.554 3.810 0 50 HHAA O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 72115456 RVRLGOQNSDNYEY-UHFFFAOYSA-N 402.502 3.584 0 50 HHAA COc1cccc(OC[C@H](O)CNC(=O)c2oc3c(Cl)cc(C)cc3c2C)c1 14950311 COVTVZHQSQAPCS-CQSZACIVSA-N 403.862 3.881 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C(N)=O)C1 17082922 QDVGFMMSWZDTEO-YUELXQCFSA-N 404.532 3.748 0 50 HHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)N1CCCN1[C@H]2c1ccc(Cl)cc1 135994745 CHMYTBHWHYXYCO-OKZBNKHCSA-N 402.281 3.529 0 50 HHAA COC(=O)c1ccc(CN2CCOc3c(cc(-c4cccnc4)cc3OC)C2)cc1 64110623 RKSRUXDKVPFDDO-UHFFFAOYSA-N 404.466 3.938 0 50 HHAA O=C(CCc1nc(-c2ccccc2F)no1)N[C@H]1CCCN(Cc2cccs2)C1 828013083 OKEHLCORHNJRBR-HNNXBMFYSA-N 414.506 3.651 0 50 HHAA C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc3c(cn2)OCCC3)CC1 1342137126 BDHBIBVJLLFRSI-HNNXBMFYSA-N 408.527 3.535 0 50 HHAA CC(C)Cc1cc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)nc(O)n1 1506415385 NLYAGQDVDGJYOJ-XZDHIHRUSA-N 409.530 3.673 0 50 HHAA CN(C)CC1(CO)CCN([C@H](C(=O)O)c2ccc3sc4ccccc4c3c2)CC1 1506399389 MXPJTYHSRKKXBV-NRFANRHFSA-N 412.555 3.816 0 50 HHAA Cc1cccc(Nc2ccc(N3CCN(C(=O)CCCc4ccccc4)CC3)nn2)n1 11697214 NIGBCAKHAUWVSP-UHFFFAOYSA-N 416.529 3.595 0 50 HHAA O=C(c1ccc(OC2CCN(C3CSCCSC3)CC2)cc1)N1CCCC1 12005428 HSNFGTYNMQSIBU-UHFFFAOYSA-N 406.617 3.614 0 50 HHAA COCc1ccc(C(=O)N[C@@H](C)c2nnc(SCc3ccccc3C)n2C)o1 15068782 SYYNYAVEOSPMJY-AWEZNQCLSA-N 400.504 3.646 0 50 HHAA CC(C)S(=O)(=O)c1ncc(CN2C[C@@H]3CCC[C@H]2C3)n1CCc1ccccc1 15075222 RQGJGZXXWFZBMO-UXHICEINSA-N 401.576 3.682 0 50 HHAA COc1ccc([Si](c2ccccc2C)(c2ccccc2C)c2ccccc2C)cc1 169815936 CMGCKYFDANCZQL-UHFFFAOYSA-N 408.617 3.998 0 50 HHAA CN1CCC[C@@H](COc2cccc(CN(C3CC3)S(=O)(=O)c3cccs3)c2)C1 20208132 LKZQKQSGQBQPMV-GOSISDBHSA-N 420.600 3.822 0 50 HHAA CNc1cnc(-c2noc(-c3cc(C4CC4)nc4c3c(C)nn4C(C)(C)C)n2)cn1 2325735546 KATXCZZMQUQYJK-UHFFFAOYSA-N 404.478 3.921 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2Br)cc1OC 940929 YWLVRYMFXDXNCY-UHFFFAOYSA-N 409.305 3.902 0 50 HHAA COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccc(O)cc1 1112338 GIWYQMFWUVOEFG-UHFFFAOYSA-N 413.857 3.759 0 50 HHAA COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)Nc2cccc(C(C)=O)c2)cc1 1228884 XTOARHZLAMXQOB-MOSHPQCFSA-N 404.422 3.900 0 50 HHAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)C(F)(F)F)cc1 4064575 LUTSGRVECBVQAA-CQSZACIVSA-N 422.350 3.844 0 50 HHAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(COc3ccccc3)o2)c1 4538386 MOTLVLJWOCQGME-UHFFFAOYSA-N 409.394 3.684 0 50 HHAA CCCC[C@H](C(=O)Nc1ccc(C(=O)OCC)cc1)N1C(=O)c2ccccc2C1=O 4725070 HQIQKBZRBFPRDT-LJQANCHMSA-N 408.454 3.657 0 50 HHAA CN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(Br)c4)ccc1c23 8768182 LNJNQUCXEMIOFQ-UHFFFAOYSA-N 417.284 3.993 0 50 HHAA Cc1nn(C)c(C)c1[C@H](C)N(C)Cc1cnc(S(=O)(=O)C(C)C)n1CCC(C)C 11819422 OXWNTOKJBZEJLO-KRWDZBQOSA-N 423.627 3.655 0 50 HHAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2Cc2ccc(Cl)s2)cc1 11910002 CITJYVVQWCDRPU-MRXNPFEDSA-N 406.935 3.859 0 50 HHAA Cn1c(SC[C@@H]2CCCO2)nnc1C1CCN(Cc2cc(F)ccc2F)CC1 12330916 SATQOWAKIJWUKM-KRWDZBQOSA-N 408.518 3.744 0 50 HHAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cccs3)CC2)cc1 12431515 YTHUFAKOTVGEJM-UHFFFAOYSA-N 410.499 3.683 0 50 HHAA O=C(NC[C@H]1CCCO1)c1cc2cc(C3(O)CCN(C4CCCC4)CC3)ccc2o1 14993467 WCQBNAPUBXLKFS-HXUWFJFHSA-N 412.530 3.568 0 50 HHAA Clc1ccc(Cn2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)cc1 54333071 MMDXYLMCFFZMJQ-UHFFFAOYSA-N 418.932 3.850 0 50 HHAA O=C(c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1)N1CCCCC1 72476849 ITKDVKALITXYED-UHFFFAOYSA-N 410.905 3.853 0 50 HHAA CS(=O)(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)C[C@H]1Cc1ccccc1 91997867 OKOQYZQXFBVXQB-HSZRJFAPSA-N 420.534 3.573 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(F)c(F)c5)no4)c3CO2)cc1 169758371 PJVWFJVJBRAIRB-KRWDZBQOSA-N 411.368 3.553 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(C)c(C)c5)no4)c3CO2)cc1 169758378 XMQJBDNGIFHNFY-LJQANCHMSA-N 403.442 3.892 0 50 HHAA Cc1cc(N(C)C)ccc1NC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 170595770 NCEYCBKTMXQRJC-UHFFFAOYSA-N 416.522 3.546 0 50 HHAA CCCOc1c(Cl)cc(C(=O)N2CCN(Cc3cccnc3)C[C@H]2C)cc1OC 170597627 QUWLUEXHYPDZCT-MRXNPFEDSA-N 417.937 3.879 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H]2CCCC2=O)cc1OC 170606038 KFSCPFFUEZVRIT-KRWDZBQOSA-N 419.481 3.656 0 50 HHAA COc1ccc(CN(CCc2ccccn2)c2ccc3nnc(C(F)F)n3n2)cc1 225462435 OFQHZNXMDUHDRS-UHFFFAOYSA-N 410.428 3.715 0 50 HHAA O=C(Cc1ccccc1)NCCC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 225602593 GLYJIBOAUZNKCL-UHFFFAOYSA-N 402.897 3.876 0 50 HHAA C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H](c2cccs2)N(C)C)C[C@@H](C)O1 229832365 UNEQDSMLZYIGND-GPMSIDNRSA-N 402.564 3.786 0 50 HHAA Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(O)cc3)N(c3ccccc3)O[C@H]2C1=O 229963436 MCEWVEMNJCRCNB-BHDDXSALSA-N 400.434 3.752 0 50 HHAA CC[C@H](C)c1csc(NC(=O)c2cccc(N3NC(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)n1 251383133 UBMGVGUUDHRBIB-IAOVAPTHSA-N 424.526 3.869 0 50 HHAA NC(=O)[C@@H](NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)c1ccccc1 465508513 MQJTVUSHAGVEID-FQEVSTJZSA-N 411.408 3.783 0 50 HHAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccn(-c2ccccc2Cl)n1 489045961 RAEDZUKGMDNQRT-IBGZPJMESA-N 421.888 3.693 0 50 HHAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2c(C)nc3ccccc32)cc1 824668758 QUEQKRWTTWZCKG-NRFANRHFSA-N 407.514 3.951 0 50 HHAA C[C@@H](NC(=O)CN1C(=O)c2ccccc2C(F)(F)C1=O)c1ccc2ccccc2c1 1307328534 ICZIYYDMCANBTL-CQSZACIVSA-N 408.404 3.791 0 50 HHAA CCc1c(C)nn(-c2cccc(C(=O)N[C@@H](C(N)=O)c3ccc(Cl)cc3)c2)c1C 1337646810 UANCJQHGSJYDPH-HXUWFJFHSA-N 410.905 3.661 0 50 HHAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCC[C@H](OCc2ccccn2)C1 1506400527 NOWWEGPBOVLWOY-FQEVSTJZSA-N 404.470 3.830 0 50 HHAA Cc1cc2c(cc1C(=O)N1CCCN(c3nc4ccccc4s3)CC1)OCCO2 1506418979 LLKLDJRKRGFSEH-UHFFFAOYSA-N 409.511 3.728 0 50 HHAA COc1ccc(CNS(=O)(=O)c2cc(Cl)c(C)cc2Br)cc1 1775967682 KGSBYVUROVRXFW-UHFFFAOYSA-N 404.713 3.898 0 50 HHAA COC(=O)[C@@H](c1ccccc1)N(C)C(=O)CSCCOc1ccc(Cl)cc1 1875259353 LFJLAHFURPFNNU-LJQANCHMSA-N 407.919 3.825 0 50 HHAA O=C(C[C@H](Cc1ccccc1)C(=O)O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 2325877665 WWQYWBXVWBIBLK-REWPJTCUSA-N 416.477 3.816 0 50 HHAA O=C(c1cc(-c2ccccn2)[nH]n1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356144847 OOGXPUCJCPXBDP-UHFFFAOYSA-N 413.481 3.657 0 50 HHAA Cc1c(C(=O)N2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)[nH]c2ccc(F)cc12 2356165869 IUGRBFVNRYNKIT-XMMPIXPASA-N 420.488 3.808 0 50 HHAA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccn1 1195218 QWYGTKZLVLFYFT-UHFFFAOYSA-N 401.875 3.569 0 50 HHAA Cc1sc2[nH]c(SCc3nnc(S)n3-c3ccccc3)nc(=O)c2c1C 2671301 MDKPHABWUZYDEJ-UHFFFAOYSA-N 401.542 3.763 0 50 HHAA CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)nc21 2775267 TWFUMFWOCSUZHY-UHFFFAOYSA-N 405.483 3.933 0 50 HHAA C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 4991073 DOJLHUMRZPZHPU-FXAINCCUSA-N 401.677 3.838 0 50 HHAA CSc1nnc(CNS(=O)(=O)c2cccc(Cl)c2C)n1-c1ccccc1C 11995579 CCYVBTFJLUKEAZ-UHFFFAOYSA-N 422.963 3.738 0 50 HHAA COc1ccc(-c2ncc(CN3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)cn2)cc1 12300824 KAUUPZPROPIMAH-FQEVSTJZSA-N 418.497 3.957 0 50 HHAA O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccc2nsnc2c1 13324504 PMNLOKPXXHDNQD-UHFFFAOYSA-N 422.341 3.759 0 50 HHAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CC(C)C 14534729 NEOSMEJXGNHRDD-GOSISDBHSA-N 401.551 3.749 0 50 HHAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2snnc2C)C1 14963965 AGIUWZAHVPOTKQ-NRFANRHFSA-N 401.532 3.655 0 50 HHAA C[C@H]1CN(Cc2cc3ccc(F)cc3n(CCOc3ccccc3)c2=O)C[C@@H](C)O1 14980169 AZLCAUHUPAXJMN-HDICACEKSA-N 410.489 3.829 0 50 HHAA C[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)c1ccc2c(c1)NC(=O)CO2 16651295 UYJCITQLJAEHSN-GFCCVEGCSA-N 404.451 3.577 0 50 HHAA Cc1cc(-c2nnc(CCC(=O)N(C)CC3(N4CCCCC4)CCCCC3)o2)no1 20110067 UZYZHVBRDLXFLD-UHFFFAOYSA-N 415.538 3.613 0 50 HHAA COc1cc(F)ccc1CN1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 20598580 WMLJKHBEZNJQJG-NRFANRHFSA-N 413.537 3.630 0 50 HHAA CN(C)c1cccc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)c1 169753792 GGEKQYKYAMNFFH-SFHVURJKSA-N 409.921 3.805 0 50 HHAA CCOc1cccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(OC)cc3)C4)n2)c1 169758354 DROOLMUBOINJEV-IBGZPJMESA-N 419.441 3.674 0 50 HHAA COc1cc(CNC(=O)Nc2ccc(Oc3ccccc3)cn2)ccc1OCCO 170594557 SJSJIZGULFYQJS-UHFFFAOYSA-N 409.442 3.575 0 50 HHAA CCOc1cc(CNc2nnc(CO)o2)ccc1OCc1c(F)cccc1Cl 225425782 HOSAULUSVHDYCT-UHFFFAOYSA-N 407.829 3.944 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 252394302 FUQKGAWRINVOJB-YDYCPSOVSA-N 418.559 3.865 0 50 HHAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C)[C@H](c3ccc4c(c3)OCO4)C2=C1O 888089645 UOKVYNKTDHEXFG-FQEVSTJZSA-N 401.422 3.757 0 50 HHAA CCNC(=O)NCc1ccc(NC(=O)c2cc(-c3ccc(O)cc3)c(C)nc2O)cc1 1875262213 ZYZQLXLVEQSWKP-UHFFFAOYSA-N 420.469 3.540 0 50 HHAA O=C(c1cccc2cccnc12)N1CC[C@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1940197379 LZBMPJMZUYJOGJ-SQJMNOBHSA-N 418.493 3.536 0 50 HHAA CO[C@H]1CC[C@H](NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 2356142560 XNRLTNMWCCQVFT-MEMLXQNLSA-N 400.563 3.910 0 50 HHAA CCOc1cc(C=O)cc(I)c1OC(=O)c1ccccc1F 1162908 HJGCHIUOZUCPJR-UHFFFAOYSA-N 414.170 3.861 0 50 HHAA O=C(c1ccccc1Br)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 1215059 PSIGKQFTVPRZOH-MRXNPFEDSA-N 413.193 3.950 0 50 HHAA COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 2853775 SYOBJBANESUBDW-UHFFFAOYSA-N 416.543 3.878 0 50 HHAA C[C@@H](Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 2856195 PVAZOFMKZIFWSN-GFCCVEGCSA-N 400.891 3.587 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 4163544 NPJKEALJGNVULE-WDMOLILDSA-N 400.426 3.514 0 50 HHAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCC([C@H](O)c2cccs2)CC1 12193448 GKPLCQMJOFUZHL-NRFANRHFSA-N 410.543 3.558 0 50 HHAA Cc1cnc(C(=O)N(C)C[C@@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cn1 14978801 MNYMXSNDUNATRN-SFHVURJKSA-N 420.479 3.831 0 50 HHAA CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C/C=C/c3ccccc3)CC2)c1 15073156 LXEOPTDOYOBJPK-DHZHZOJOSA-N 421.585 3.877 0 50 HHAA CCn1ccc(CN(CCc2c[nH]c3ccccc23)S(=O)(=O)c2ccccc2)n1 20614300 WNIYXCPDIDQRAY-UHFFFAOYSA-N 408.527 3.818 0 50 HHAA CCN1CCN(C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)CC1 20782998 CHGKDFGMJBPNMR-OAQYLSRUSA-N 420.601 3.784 0 50 HHAA CCCCN(C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 23312395 YJXDTWKPCHZIJI-UHFFFAOYSA-N 411.594 3.657 0 50 HHAA COc1ccc(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3)C2)c(C)c1C 23361811 UPKXOTBMDRFPTH-PKTZIBPZSA-N 409.574 3.569 0 50 HHAA COc1ccc(-n2nc(NC(=O)N3CCOCC3)c3c(OC(C)C)cccc32)cc1 77323773 CJVUZVACYCLYJP-UHFFFAOYSA-N 410.474 3.685 0 50 HHAA COc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4CC=C(C)C[C@H]4C3=O)cc2)cc1 100911345 FHQNHOPKQCMTDK-LEWJYISDSA-N 405.450 3.803 0 50 HHAA CCOc1ccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(OC)cc4)n[nH]3)C2)cc1 169753957 QKGIJFVUYUFUCN-LJQANCHMSA-N 420.513 3.883 0 50 HHAA O=C(/C=C/c1ccc(Cl)cc1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169779845 CYTQGRUFHJGPDQ-DHZHZOJOSA-N 408.889 3.633 0 50 HHAA O=C(NC[C@H](O)c1ccccc1F)Nc1cc2ccccc2nc1Br 225443230 WEBDQXSCNCKPGS-INIZCTEOSA-N 404.239 3.992 0 50 HHAA CC(C)N1CC[C@@H](C(=O)Nc2c3c(cc4c2CCC4)CCC3)[C@@H](c2cnn(C)c2)C1 849593051 ANIAOFYKCWHZCJ-DHIUTWEWSA-N 406.574 3.850 0 50 HHAA CC[C@](N)(C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1)c1cccc(Cl)c1 952880272 NNVJNUUNQIYDTL-LRAJWGHMSA-N 402.926 3.551 0 50 HHAA CC1(C)C=C(CN2CCN(c3ccccc3Cl)CC2)c2cccc3c2N1C(=O)C3=O 1740816820 WFBPUBMBIZYSAL-UHFFFAOYSA-N 421.928 3.867 0 50 HHAA NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 1857528511 FNARUDORUXGBCT-CPJSRVTESA-N 419.525 3.662 0 50 HHAA OC[C@@H]1C[C@@H](n2ccnc2-c2cccc(OCc3c(F)cccc3Cl)c2)CN1 1857738656 RMYWJRJGUGZREA-JKSUJKDBSA-N 401.869 3.817 0 50 HHAA CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCCC1 1875344193 GYAFRACBTNNFJY-FGZHOGPDSA-N 408.542 3.892 0 50 HHAA O=C1Nc2ccccc2C[C@@H]1NCc1cnn(Cc2ccccc2C(F)(F)F)c1 2325869995 FLZMCJRAPUSRLY-IBGZPJMESA-N 400.404 3.603 0 50 HHAA O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC[C@@H]1CCCO1 917931 KDUULBCCBTWWAL-NSHDSACASA-N 401.410 3.533 0 50 HHAA CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 1126675 CVMGQWFKDRTWBH-UHFFFAOYSA-N 420.947 3.690 0 50 HHAA COc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 1156780 WLUWSGMAMCKWNZ-UHFFFAOYSA-N 416.543 3.966 0 50 HHAA CCOc1ccccc1[C@H]1NC(=O)N(C)C(C)=C1C(=O)OCCOc1ccccc1 2058805 HULQGWAXUAUBTF-OAQYLSRUSA-N 410.470 3.678 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(N)=O)C1 4628391 PBOVIXZMMDUONI-UPJWGTAASA-N 406.548 3.828 0 50 HHAA O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 4840185 MRICDQMATGSSSO-UHFFFAOYSA-N 407.495 3.579 0 50 HHAA Cc1cc(C)cc(OCn2ccc(C(=O)Nc3ccc(Br)cn3)n2)c1 6275776 OQDYJFVUJASKSY-UHFFFAOYSA-N 401.264 3.946 0 50 HHAA CCN(CC)C[C@@H](O)COc1ccc(CNCCc2ccc(Cl)cc2)cc1OC 12300670 UQZVIHBXIYDNOD-OAQYLSRUSA-N 420.981 3.762 0 50 HHAA O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1CCCn1cccn1 12309036 KTTFAFBFVSWVCQ-JOCHJYFZSA-N 405.502 3.954 0 50 HHAA O=C(CCc1[nH]nc2c1CCCC2)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 12317241 GCLQEYLVXUWEGL-GOSISDBHSA-N 400.954 3.655 0 50 HHAA COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1 12593407 AOYUARWXDXOVQF-QGZVFWFLSA-N 403.906 3.815 0 50 HHAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCCC1=CCCCC1)CC2 14748811 YCEKNNKLBWZVMX-OAQYLSRUSA-N 406.574 3.971 0 50 HHAA Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)[C@H](C)NC(=O)c1ccco1 16576827 SIWUYJUAXBFPSU-HNNXBMFYSA-N 400.438 3.955 0 50 HHAA O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccccc2Cl)CC1 19790316 WSDTUVYONIPCCA-UHFFFAOYSA-N 423.738 3.826 0 50 HHAA CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OC 65364052 NMIJKENCZSUNSW-ZDUSSCGKSA-N 413.865 3.506 0 50 HHAA CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc4nccnc4c3)CC2)C1 96137695 CTXYOGYSEOQXCN-OAQYLSRUSA-N 400.526 3.972 0 50 HHAA O=C(c1ccc(Cl)cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101268469 MXSYTYSCPQSEAH-HZVDNRATSA-N 424.859 3.844 0 50 HHAA COc1cccc(Cc2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)c1 169769214 ICJDUHLWPIMUPB-SFHVURJKSA-N 423.860 3.852 0 50 HHAA Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)sc2c1 169772928 WGKBLJYWLWWOQI-NSHDSACASA-N 409.446 3.612 0 50 HHAA CCOC(=O)[C@H](NC(=O)CCc1ccc(F)cc1)c1c(C)nn(-c2ccccc2)c1C 225493444 WCJILKUZFLPLLK-HSZRJFAPSA-N 423.488 3.981 0 50 HHAA O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 252477981 YZOYYNUALNCASF-PIKADFDJSA-N 417.347 3.555 0 50 HHAA CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 390832684 UPOBRNGMVVFUBJ-VGSWGCGISA-N 410.489 3.929 0 50 HHAA COc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(NC(C)=O)c3)C2)cc1 462492111 FYIGIENHKSJXLN-IBGZPJMESA-N 416.543 3.605 0 50 HHAA COc1cccc([C@@H](C(=O)O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c1 1506421540 IGOGRVWKWVCMAQ-FQEVSTJZSA-N 416.905 3.503 0 50 HHAA Cc1[nH]c2ccc(C(=O)N3CCC[C@]4(CCc5cnc(N(C)C)nc54)C3)cc2c1C 1704343324 WGGIZKSLGPIDEW-DEOSSOPVSA-N 403.530 3.761 0 50 HHAA Cc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NC[C@@H](c3ccco3)N(C)C)c2o1 1848442944 PMGHEAGKTYCTMV-SFHVURJKSA-N 420.465 3.916 0 50 HHAA CCC1(CC)CCN(C(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)C1 1857715231 HYMHOPOKKQCIJP-QGZVFWFLSA-N 412.559 3.521 0 50 HHAA Cc1ccc(CNc2cccc(C(=O)N[C@H]3C[C@H]4CO[C@H](C5CC5)CN4C3)c2)cc1 1857722121 BXNNWZBFPFHNPQ-HJOGWXRNSA-N 405.542 3.589 0 50 HHAA CS[C@H](C(=O)N1CCc2c(Br)cnc(N(C)C)c2C1)c1ccccc1 1875340985 BKNLIFJBGVZOKH-KRWDZBQOSA-N 420.376 3.899 0 50 HHAA Cc1ccc(CNc2cc(N3CCN(C(=O)c4ccc(C)cc4)CC3)ncn2)cc1 2050024947 KBQFANVJRHZUJF-UHFFFAOYSA-N 401.514 3.668 0 50 HHAA O=C(Nc1ccccc1)Nc1cccc(CNC(=O)[C@H]2CC(c3ccncc3)=NO2)c1 2325741921 SDSIBJGJQGJPIG-OAQYLSRUSA-N 415.453 3.535 0 50 HHAA O=C(OCc1ccccc1)N1CC[C@]2(C[C@@H]2C(=O)N2CC[C@H](c3ccc(O)cc3)C2)C1 2325873719 QVZZDWUOWJUBQT-HOKHCIIBSA-N 420.509 3.757 0 50 HHAA C[C@H](NC(=O)c1c(OCc2ccccc2)c(=O)ccn1C)c1nc2c(s1)CCCC2 2356149623 MNLZPLANNIAFFO-HNNXBMFYSA-N 423.538 3.791 0 50 HHAA CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(=O)NCc1ccco1 816375 OAQLYDCPPAJTNF-UHFFFAOYSA-N 409.515 3.680 0 50 HHAA CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 1136519 IZINULYSKVCJLB-UHFFFAOYSA-N 406.813 3.861 0 50 HHAA CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4)cc3n2)cc1 1186158 KSFPYUUGANGUHL-UHFFFAOYSA-N 417.494 3.946 0 50 HHAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3[C@H](C)CCC[C@H]3C)c2n1 2781697 BNCMSVCLGLHPSX-VXGBXAGGSA-N 420.439 3.860 0 50 HHAA O=C(CCS(=O)(=O)c1ccc(Cl)c(Cl)c1)OCC(=O)c1ccccc1 3185199 ODUIUIMOPIGTTE-UHFFFAOYSA-N 401.267 3.583 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 4952945 UNRABGGJLVMDPJ-CWRNSKLLSA-N 412.387 3.591 0 50 HHAA CCOc1ccccc1CNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 8588458 NTVAKYLCCBWPLO-UHFFFAOYSA-N 421.472 3.889 0 50 HHAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2cnc(C)cn2)C3)s1 11967611 RQZIJDFAZJFQPS-OAHLLOKOSA-N 411.458 3.589 0 50 HHAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1=CCCCC1 11996963 NDGZXZRUORZAKD-FQEVSTJZSA-N 401.570 3.928 0 50 HHAA O=c1c(CNCc2ccc3c(c2)OCO3)cc2ccc(F)cc2n1Cc1cccnc1 12248138 OSRQLMACAHJOCZ-UHFFFAOYSA-N 417.440 3.602 0 50 HHAA COc1cc(CN2CCC(CO)(CCOc3ccccc3)CC2)cc(OC)c1OC 12443547 BXMCRATWRLNTMD-UHFFFAOYSA-N 415.530 3.756 0 50 HHAA CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCn1cccn1 12597016 ZODPQOCSWZWKSG-UHFFFAOYSA-N 422.495 3.705 0 50 HHAA Cc1nc(C)n(CC(=O)N(Cc2ccncc2)Cc2ccc(OCC(C)C)cc2)n1 14883274 HNCDOWFWPIGZFB-UHFFFAOYSA-N 407.518 3.554 0 50 HHAA CSCCC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 14952036 BIAKYFLKXQUFME-HXUWFJFHSA-N 408.583 3.798 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)Cc3cccs3)C2)c1 14972243 JOESRLRZPKUCLB-QGZVFWFLSA-N 400.544 3.634 0 50 HHAA CCOc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 16647538 OCUHMUWPUVAMLN-UHFFFAOYSA-N 420.556 3.844 0 50 HHAA Cc1ccc(O[C@H](C)c2nnc(SCc3cc(=O)n4ccsc4n3)n2C)cc1 17089625 ZBACYKKHINXQCI-CYBMUJFWSA-N 413.528 3.625 0 50 HHAA CCOC(=O)c1n[nH]cc1CN1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 19228809 DQOORDKSNTWECD-AWEZNQCLSA-N 409.408 3.700 0 50 HHAA Cc1ccc(C2(c3noc(CN4CCN(Cc5ccccn5)CC4)n3)CCCC2)cc1 19742054 XHBGJLZMSGWLRI-UHFFFAOYSA-N 417.557 3.951 0 50 HHAA CCN1CCN(C(=O)c2c(NC(=O)c3cccs3)sc3c2CCCC3)CC1 54214531 NUENWGVGWHPQHZ-UHFFFAOYSA-N 403.573 3.718 0 50 HHAA Cc1ccc(-c2ccccc2CN2CCn3nc(CNc4ncccn4)cc3C2)o1 426690531 FYTAFSLBYFKKQE-UHFFFAOYSA-N 400.486 3.869 0 50 HHAA C[C@H](NC(=O)CCC(=O)N[C@@H](C)c1nc2ccccc2s1)C(=O)c1ccccc1 2325730806 DAQWXABNCPTICP-GJZGRUSLSA-N 409.511 3.641 0 50 HHAA Cc1nn(C)c(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1C 2356144403 WCKFALRILQJALW-XMMPIXPASA-N 401.514 3.614 0 50 HHAA CCOC(=O)[C@@](NC(=O)NCCc1ccccc1)(c1ccc(F)cc1)C(F)(F)F 2872290 HCLWHJQYRWRUPB-IBGZPJMESA-N 412.383 3.688 0 50 HHAA CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O 4865887 FRZMMMBZQZIPES-UHFFFAOYSA-N 401.422 3.529 0 50 HHAA CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1 8477150 RCNQSGYPFJLWSS-UHFFFAOYSA-N 404.557 3.838 0 50 HHAA COc1ccc(Br)cc1CNC(=O)CN1CCSc2ccccc21 8610756 KGRCGPHTRAWULZ-UHFFFAOYSA-N 407.333 3.686 0 50 HHAA Cc1ccc(C)c(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1 11697224 YJSGAUMIJBAZHX-UHFFFAOYSA-N 402.502 3.503 0 50 HHAA CC(C)c1c(C(=O)NCCc2cccnc2)cnn1-c1nccc(-c2cccs2)n1 12152203 XDGJHFONTJWRCA-UHFFFAOYSA-N 418.526 3.882 0 50 HHAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cnn(CC)c2)C1 12458208 IXBFKCAPRDJKEG-OAQYLSRUSA-N 403.910 3.585 0 50 HHAA Cc1nn(C)c(Cl)c1CN1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 12590567 NNTAIFPQXMBXNX-HNNXBMFYSA-N 424.923 3.969 0 50 HHAA CCOc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4cccc(C)c4)n[nH]3)C2=O)cc1 18208807 LNYWMOOANWIOGL-QGZVFWFLSA-N 408.483 3.603 0 50 HHAA O=C(c1nc2ccc(Cl)cn2c1CNC[C@H]1CCCO1)N1CCCCCCC1 20167109 OEPLESHKVNLZHD-QGZVFWFLSA-N 404.942 3.663 0 50 HHAA COc1ccc(CNCCc2ccc(Cl)cc2)cc1OC[C@@H](O)CN(C)C(C)C 20540985 HEUKXOKVPPEXSL-NRFANRHFSA-N 420.981 3.761 0 50 HHAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1OC 20541005 JBFWUMDQWLGYMS-QFIPXVFZSA-N 410.558 3.778 0 50 HHAA O=C(Cn1cnc2ccccc21)N1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 39447012 SHJQTKXKHGNYOC-DEOSSOPVSA-N 406.505 3.690 0 50 HHAA O=C(Nc1nc(-c2ccccc2)ns1)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 55385357 XMYKFTADFNDMOB-KRWDZBQOSA-N 403.471 3.503 0 50 HHAA Cc1nc[nH]c1C(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67947743 CVIKRDMRMJXILG-UHFFFAOYSA-N 406.467 3.735 0 50 HHAA COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)[C@@H](CCO)C2)cc1 106991101 BRYLWTLKSMIBHH-QFIPXVFZSA-N 405.542 3.717 0 50 HHAA CCCC(=O)Nc1cccc(NC(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 146049966 XCLRAQMMVIKDRS-UHFFFAOYSA-N 405.458 3.674 0 50 HHAA Cc1nc([C@H](NC(=O)c2ccc(N3CCCCCC3)nc2)c2ccccc2F)no1 170626966 NSGOMJNQFSAXGW-HXUWFJFHSA-N 409.465 3.812 0 50 HHAA Cc1cccc(C)c1NC(=O)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)CC1 239339173 LUIYJCWQDJMRHS-ARGCFSIZSA-N 418.537 3.854 0 50 HHAA O=C(NCCCn1cccn1)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 247449896 ZMYDFFRDBPOHCT-AHRSYUTCSA-N 414.937 3.516 0 50 HHAA O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247745719 PUYXGBKMVCVGDK-CZYKHXBRSA-N 416.477 3.806 0 50 HHAA O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)[C@@H]1CC(=O)N(Cc2ccco2)C1 252500965 UAJXSCDUYUFGRW-FZKQIMNGSA-N 411.889 3.957 0 50 HHAA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 257358364 SZTAYWGUFKACAE-YFRWDYPASA-N 408.510 3.552 0 50 HHAA Cc1ccc(-c2cc3n(n2)[C@H](NCc2cccc(Br)c2)CNC3=O)cc1 263619285 XXEIGERYNHICAG-IBGZPJMESA-N 411.303 3.653 0 50 HHAA Cc1nc(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CCOCC2)c2ccccn12 772786526 SBIHOUOFMUCLIQ-UHFFFAOYSA-N 419.403 3.977 0 50 HHAA Cc1ccc(-c2nc(N3CCC(C(N)=O)CC3)c3oc(-c4ccccc4)nc3n2)cc1 826834651 HMNBZAYKEUCMHA-UHFFFAOYSA-N 413.481 3.962 0 50 HHAA Cc1noc([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3c(C)noc3C)s2)n1 1506397276 ARGWODWICSXEND-CYBMUJFWSA-N 408.505 3.627 0 50 HHAA COc1cc2c(cc1-c1nccn1CC1(c3ccccc3)CCN(C)CC1)OCO2 1857672136 LTYMBIUVBFLYEC-UHFFFAOYSA-N 405.498 3.951 0 50 HHAA CCN1CC[C@@H](Oc2ccc3c(c2)CCOC32CCN(C(=O)c3ccoc3C)CC2)C1 1857678208 ILINXTCFIBOULM-OAQYLSRUSA-N 424.541 3.765 0 50 HHAA CCCOc1cc(Cl)c(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)cc1OCC 1857685074 BLWIFRWEYXXDRG-MRXNPFEDSA-N 411.926 3.841 0 50 HHAA NC(=O)c1c(NC(=O)COc2ccccc2Br)sc2c1CCCC2 706811 GYNXEUNVPUMKRT-UHFFFAOYSA-N 409.305 3.506 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccc(C(C)C)cc2)cc1 1179092 HCIXJMKQLDUBEC-UHFFFAOYSA-N 400.544 3.936 0 50 HHAA Cc1c(Cl)cccc1N(CC(=O)NCCSC1CCCCC1)S(C)(=O)=O 2816922 LXTSDZJTGGJHFU-UHFFFAOYSA-N 419.012 3.597 0 50 HHAA CCCCOc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NCC)cc1 2895409 NIGRXPCXVOCAID-CPNJWEJPSA-N 410.470 3.501 0 50 HHAA O=C1c2ccccc2CN1CCNS(=O)(=O)c1ccc2oc3ccccc3c2c1 4833986 DQBGVFYNURBIRF-UHFFFAOYSA-N 406.463 3.520 0 50 HHAA CCOC(=O)N[C@H](NC(=S)Nc1ccc(OCC)cc1)C(Cl)(Cl)Cl 8690059 KSUZFVDURMEBRW-NSHDSACASA-N 414.742 3.814 0 50 HHAA aggregator COc1cccc(CCNC(=O)[C@H]2CC23CCN(C(=O)/C=C/c2cccs2)CC3)c1 11787606 KWDFQGUSWHQTCB-QQUYBBDPSA-N 424.566 3.758 0 50 HHAA Cc1c(C(=O)NCc2cccc(F)c2)sc2ncnc(NC[C@H]3CCCO3)c12 12028274 KJHQVOCVNAPNAO-OAHLLOKOSA-N 400.479 3.660 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCC[C@@H]3c3nc4cc(F)ccc4[nH]3)n2)cc1 12316566 HDHMLYCYFOCSCU-GOSISDBHSA-N 421.432 3.876 0 50 HHAA CCN(CCn1cccn1)C(=O)c1cc(COc2ccc(OC)c3ccccc23)on1 12705252 ZFQJWIHKNIOWHA-UHFFFAOYSA-N 420.469 3.774 0 50 HHAA Cn1ccc(CC(=O)N2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3C2)c1 12716735 NBBZHXGKUKWTHE-UHFFFAOYSA-N 413.521 3.823 0 50 HHAA Fc1cccc(Cl)c1Cn1cc(Cl)c(NC(=S)NC[C@@H]2CCCO2)n1 17082607 GUFIBHNBQXJKAB-JTQLQIEISA-N 403.310 3.843 0 50 HHAA COc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)ccc1F 19635740 WVJCNWGHJGBCLF-HXUWFJFHSA-N 413.537 3.630 0 50 HHAA CCOC(=O)N1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 19839053 PSOWFKQRJPBBTI-UHFFFAOYSA-N 406.486 3.524 0 50 HHAA O=C(CSc1ncccn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19921099 PEKNUWSVPWGPBU-UHFFFAOYSA-N 404.539 3.503 0 50 HHAA CC(C)c1csc(CN2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)n1 20783241 SUGMUYSUAOYNJP-HNNXBMFYSA-N 401.532 3.637 0 50 HHAA O=C(CCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)Nc1nccs1 40267784 JAWZNNZDECEPFL-UHFFFAOYSA-N 402.451 3.548 0 50 HHAA Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN[C@@H]2CCC[C@H]2Cc2ccccc2)n1 170607282 HAZYCDDSJJFPDZ-LEWJYISDSA-N 418.545 3.527 0 50 HHAA Cc1nnnn1-c1cc(NC(=O)NC2(c3ccc(Cl)cc3)CCC2)ccc1F 170620799 UQBBBUKASCUDCQ-UHFFFAOYSA-N 400.845 3.964 0 50 HHAA O=C([C@H]1COc2ccccc2O1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 170622643 OSWSQQPQCGUXCE-ZWKOTPCHSA-N 412.244 3.872 0 50 HHAA Cc1nc(NC(=O)[C@@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)sc1C 170647882 RKMUYTOSFNYAHM-RISCZKNCSA-N 418.500 3.775 0 50 HHAA O=C(NCc1cc(Br)ccc1OC(F)F)c1cnc2n1CCCC2 170685969 XSJBPXZAEAPXKT-UHFFFAOYSA-N 400.223 3.513 0 50 HHAA COc1cc(Br)c(NC(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)cc1OC 230218438 MTGUTEKVBREEDI-ZWZTZDBGSA-N 401.301 3.647 0 50 HHAA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(SC)cc2)CN1Cc1ccc(Cl)cc1 299784686 KJLORCUMVPPBHR-FPOVZHCZSA-N 418.006 3.931 0 50 HHAA Cc1ccc(Br)c(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 499687965 ZHICKQVFTBWYDM-OAHLLOKOSA-N 401.304 3.883 0 50 HHAA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 756024605 SVEITPPCCRSYPV-UGKGYDQZSA-N 412.505 3.935 0 50 HHAA O=C(N[C@@H](Cc1ccccc1Cl)C(=O)O)c1cccc(OCc2cccnc2)c1 1857531215 NLCSQQHYZXHSGZ-FQEVSTJZSA-N 410.857 3.740 0 50 HHAA NS(=O)(=O)c1cc(F)cc(NC(=O)NCCCc2ccc(Cl)c(Cl)c2)c1 1875259288 HEXUUDMUXCPRNU-UHFFFAOYSA-N 420.293 3.534 0 50 HHAA Clc1cccc(-n2ccnc2)c1CN1CCN(c2ncnc3ccsc23)CC1 1875334823 GPBBIKQJPYCNEJ-UHFFFAOYSA-N 410.934 3.853 0 50 HHAA Cc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C 821149 PHKQTGJUZLCDIA-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA O=C(NCc1cccnc1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 845048 BDIXUBICRBMTQZ-UHFFFAOYSA-N 403.389 3.802 0 50 HHAA O=C(Oc1ccccc1C(=S)N1CCOCC1)c1ccc(Br)cc1 866326 ZDQVQQXZBCCXTC-UHFFFAOYSA-N 406.301 3.676 0 50 HHAA COc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 881383 OMLHMMXPPVMMDF-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 884708 LJOYNDBBBDAMAC-RDJZCZTQSA-N 418.423 3.515 0 50 HHAA COc1ccc(OC)c(NC(=O)COc2ccc(C(=O)NCc3ccccc3)cc2)c1 935792 SYYZRYQQFZXOLD-UHFFFAOYSA-N 420.465 3.651 0 50 HHAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 1166969 CVDYFIAXWFUOFN-LJQANCHMSA-N 408.483 3.792 0 50 HHAA COc1ccc2c(c1OC)C(=O)N1[C@@H]2c2[nH]c3ccccc3c2C[C@@H]1C(=O)OC(C)C 1322234 STJVGZLEYYPBJO-UTKZUKDTSA-N 420.465 3.607 0 50 HHAA biogenic C[C@]1(O)N(CCC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)OC12CCCCC2 1425306 LHOOIKDYLYOGIS-QGZVFWFLSA-N 400.397 3.898 0 50 HHAA Cc1n[nH]c(O)c1[C@H](c1ccc(OC(=O)c2ccccc2F)cc1)c1c(O)n[nH]c1C 9014900 NKTVSUCPQYTWLX-UHFFFAOYSA-N 422.416 3.699 0 50 HHAA Cc1c(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)[nH]c2c(Cl)cccc12 11821113 NSEWHNYXGGHLRF-FGZHOGPDSA-N 412.965 3.634 0 50 HHAA O=C(Cc1ccccn1)NCc1nc(NCCCc2ccccc2)c2ccccc2n1 11910327 AHMSJSCKNLLYQV-UHFFFAOYSA-N 411.509 3.928 0 50 HHAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2cc(C)nn2C)C3)s1 12039723 MKNNOJIUYLYXMS-OAHLLOKOSA-N 413.474 3.532 0 50 HHAA COc1ccccc1CNc1ncnc2sc(C(=O)NC[C@@H]3CCCO3)c(C)c12 12148778 GZPYCFKRFSKWNT-HNNXBMFYSA-N 412.515 3.529 0 50 HHAA CCCCc1nc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)c[nH]1 12301396 FENRLBSYJDQSGI-WXVUKLJWSA-N 408.546 3.699 0 50 HHAA Cc1cc2ccccc2n1CCN(C)C(=O)c1cn(CCCc2ccccc2)nn1 12434947 OBERCNQDAHJMDR-UHFFFAOYSA-N 401.514 3.946 0 50 HHAA O=C(Nc1ccc2c(c1)CN(C(=O)[C@@H]1CCOC1)CC2)c1ccc(C(F)(F)F)cc1 12708223 LGNXGVRTRIMQFV-MRXNPFEDSA-N 418.415 3.879 0 50 HHAA CC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 14747520 ZAYFBGDGMHAGNQ-IBGZPJMESA-N 406.530 3.679 0 50 HHAA CN(Cc1ccccc1)Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1 14886629 ZFKGSOIZHAGWDY-HXUWFJFHSA-N 409.559 3.776 0 50 HHAA CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2cc(C)ccc2C)ccc1=O 20095505 UJYOZDFQQDLAAV-HXUWFJFHSA-N 419.481 3.888 0 50 HHAA CC(C)c1nccn1CCCNC(=O)c1ccc(N[C@H]2CCc3cccnc32)nc1 67907966 ZVKCRBSMFLFYBH-IBGZPJMESA-N 404.518 3.716 0 50 HHAA COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@H]2C(N)=O)cc1OC 72418259 DDAYVCCBRHHILS-FQEVSTJZSA-N 405.498 3.677 0 50 HHAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2nc3ccccc3[nH]2)C1 76996805 IMNNDLKRRHPBDR-DEOSSOPVSA-N 407.514 3.960 0 50 HHAA CC(C)N1CCC(N2CCN(Cc3ccc(-c4ccco4)cc3)C[C@H]2CCO)CC1 104626502 HJJOAPMOSNFVMN-XMMPIXPASA-N 411.590 3.688 0 50 HHAA CCOc1ccc(C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1OCC 252484898 GKCFKQWMULTBHA-QFIPXVFZSA-N 406.523 3.861 0 50 HHAA COc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 263618062 RBRGFZJRWLSXOS-QGZVFWFLSA-N 409.442 3.740 0 50 HHAA Cc1ccc(-c2cc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4C)n[nH]2)o1 446638282 OLBXRVFMRIMGHI-UHFFFAOYSA-N 408.439 3.522 0 50 HHAA COc1ccc([C@H](NC(=O)c2cn(C)c3ccc(C)cc3c2=O)c2ccncc2)cc1 670437273 NLRWHEZRPYXRIO-QHCPKHFHSA-N 413.477 3.770 0 50 HHAA Cc1ccc(CNC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)c(Oc2ccccc2)c1 849558299 MQZOIBMCJVUULD-PKTZIBPZSA-N 418.541 3.873 0 50 HHAA O=C(C1CCN(Cc2cccc(-n3cccn3)c2)CC1)N1CCc2ccccc2C1 1506417806 TVGJDCNZNKECJO-UHFFFAOYSA-N 400.526 3.669 0 50 HHAA Cc1cc(C(=O)N2CCCC[C@@H]2CCc2cccs2)cc(S(N)(=O)=O)c1C 1506419084 XBAUODZRJMRYQD-QGZVFWFLSA-N 406.573 3.640 0 50 HHAA CC(C)[C@H](C(=O)N(C)Cc1cccc2cnccc12)n1cnc2ccccc2c1=O 1506422112 OXHUUJGNNRXPOD-JOCHJYFZSA-N 400.482 3.800 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3C)n2)ccc1C 1848442327 BUNBRTXPTXJRAT-UHFFFAOYSA-N 424.888 3.778 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)C1 1875371740 KTHUVZDNCGHBIZ-UTKZUKDTSA-N 419.363 3.797 0 50 HHAA C[S@](=O)c1cccc(NC(=O)c2[nH]c3ccccc3c2I)c1 2325862373 RJKCBUJEPQJHTI-QFIPXVFZSA-N 424.263 3.762 0 50 HHAA CCCN(C)C[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cccc3cc[nH]c13)C[C@H]2O 2356144519 BMYYFNOSIXEOSM-ICLZECGLSA-N 417.553 3.726 0 50 HHAA Cc1c(Cl)cccc1C(=O)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 2356167916 ISMDUSYFMOAAJR-NFBKMPQASA-N 415.917 3.949 0 50 HHAA CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 643482 XWHSDAMUFMNYQH-UHFFFAOYSA-N 402.394 3.863 0 50 HHAA Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1 730368 XOUBJYSHBCWUMM-KRWDZBQOSA-N 402.516 3.576 0 50 HHAA COc1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc(Br)c1OC 1058992 WHKFHZXTRNODHY-NSHDSACASA-N 420.259 3.712 0 50 HHAA CCOC(=O)COc1c(/C=C2/N=C(c3ccccc3Cl)OC2=O)cccc1OC 1120698 QNFNPERHQCBMMW-LFIBNONCSA-N 415.829 3.635 0 50 HHAA CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1 1136063 JNDVANXFWPYXJQ-UHFFFAOYSA-N 409.463 3.948 0 50 HHAA CCOc1ccccc1/C=C1/NC(=O)N(Cc2ccc(Br)cc2)C1=O 1164745 HNUMYPSLMUSCRH-LFIBNONCSA-N 401.260 3.941 0 50 HHAA Cc1ccc(Cl)c2c1NC(=O)[C@@]2(O)CC(=O)c1ccc(Br)s1 2841991 JEOYAZAOOZHETP-OAHLLOKOSA-N 400.681 3.885 0 50 HHAA CC(C)CC(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 3130780 KJRRTNJFBLDQFE-GFCCVEGCSA-N 407.146 3.972 0 50 HHAA C[C@@H](Sc1nnc(NC(=O)c2ccccc2)s1)c1nc2ccccc2c(=O)[nH]1 4741532 SOJQWOIKLIXYQZ-LLVKDONJSA-N 409.496 3.880 0 50 HHAA O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)[C@H]1CC=CC[C@H]1C(=O)O 4820972 AWOAFAXLVFCJHV-VQTJNVASSA-N 404.466 3.885 0 50 HHAA CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)c1 6767414 DHKDLTMFOATKOR-UHFFFAOYSA-N 415.493 3.939 0 50 HHAA Cc1ccn2c(CN(C)CCC3CCOCC3)c(C(=O)N3CCCCCC3)nc2c1 11935493 UCBACVRKBRFSDX-UHFFFAOYSA-N 412.578 3.907 0 50 HHAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2csc(C(C)=O)c2)CC1 12432947 SDXUSSIYJXKPSX-FQEVSTJZSA-N 405.608 3.543 0 50 HHAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(COC)o1 12457999 UZCVJDZDRUYTBU-HXUWFJFHSA-N 414.546 3.851 0 50 HHAA O=C(NC1CC1)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCCC2 17090757 ODVHRKNQCBTSEO-SEDVZULUSA-N 416.543 3.595 0 50 HHAA COc1ccccc1-c1ncc(CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cn1 19794923 DDXALEVLCLWZBL-JOCHJYFZSA-N 414.553 3.874 0 50 HHAA Cc1ccc(CN[C@@H]2CCc3c(sc4ncn(Cc5ccccn5)c(=O)c34)C2)cc1 20599053 LCZNKPCKWJSOKJ-GOSISDBHSA-N 416.550 3.857 0 50 HHAA O=C(N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1)C1(c2ccccc2)CC1 55358161 QLTQGKYFGPZRME-QHCPKHFHSA-N 407.533 3.671 0 50 HHAA CS[C@H](C)C(=O)Nc1nn(-c2cccc(F)c2)c2cccc(N3CCOC3=O)c12 77390331 CEENBUWBIKDJSX-GFCCVEGCSA-N 414.462 3.811 0 50 HHAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 239038836 FAAOUEXTILHBKZ-BNBDDXAPSA-N 406.269 3.700 0 50 HHAA CC1=C(CN2C[C@@H]3CN(C(=O)c4cnsc4)C[C@@]3(CN(C)C)C2)C(C)(C)CCC1 1772814073 ILXHUMYDCIBOEN-AUSIDOKSSA-N 416.635 3.605 0 50 HHAA C[C@@H](COc1ccc(F)c(F)c1)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 1875257357 YHZYVHGETWAIIP-HNNXBMFYSA-N 403.473 3.542 0 50 HHAA C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NC[C@@H](CO)Cc1ccccc1F 1875261054 SQNFVYGJGJTSGL-ZBFHGGJFSA-N 412.427 3.926 0 50 HHAA COC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 629800 QOQWOEKMXOENCO-BBITVKMKSA-N 409.441 3.870 0 50 HHAA COC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 1075621 WYVZZEWJYBSPSZ-UHFFFAOYSA-N 410.451 3.526 0 50 HHAA O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)NCc1ccco1 1113296 ZHZQDDMUTINREL-UHFFFAOYSA-N 422.485 3.999 0 50 HHAA COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OC)ccc4ccccc34)C2=O)cc1 1192442 JQXLCYQPNCXLJU-CPNJWEJPSA-N 402.406 3.523 0 50 HHAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)cc1OC 1217574 ADAVDMHUHALCNU-IBGZPJMESA-N 415.877 3.932 0 50 HHAA CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 1847292 NFHRQQKPEBFUJK-HSZRJFAPSA-N 408.461 3.738 0 50 HHAA aggregator,in-man O=C1c2cccc3c(Br)ccc(c23)C(=O)N1c1ccc2[nH]c(=O)[nH]c2c1 2738307 LYKVCMPUDKLPDM-UHFFFAOYSA-N 408.211 3.573 0 50 HHAA COc1ccccc1CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 2932919 SZNOBYBPKFXKCI-UHFFFAOYSA-N 424.522 3.591 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2cccc(C)c2)cc1 2982643 JKCNSSWIJGUTFC-UHFFFAOYSA-N 400.544 3.757 0 50 HHAA CCc1c(C)nc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)[nH]c1=O 5151880 PKXMAKBASLVWJF-UHFFFAOYSA-N 409.511 3.951 0 50 HHAA Cn1c([C@@H]2CCCO2)nc2cc(NC(=O)CC3CCCC3)cc(C(=O)NC3CC3)c21 11785132 NFOSKICNGNTARW-IBGZPJMESA-N 410.518 3.836 0 50 HHAA CSCC[C@H](C)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 11821298 ZOCGJJZRCJIQLZ-SFHVURJKSA-N 413.587 3.996 0 50 HHAA Cc1cc(C(=O)N2CCC(n3c(C)nc4cc(C(F)(F)F)ccc43)CC2)n(C)n1 11965440 GWROYVSEASQSQJ-UHFFFAOYSA-N 405.424 3.883 0 50 HHAA COc1cccc(-c2cc(C(=O)N[C@H](C)c3csc(C)n3)cc(-n3cnnn3)c2)c1 12036787 FGFPMTDMLPXHPY-CYBMUJFWSA-N 420.498 3.594 0 50 HHAA c1ccc(-c2nc3c(c(N4CCN(Cc5cccc6c5OCO6)CC4)n2)CCC3)cc1 12477423 AAGVNRPHNVCRDY-UHFFFAOYSA-N 414.509 3.683 0 50 HHAA COc1ccccc1/C=C/CN1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 12716510 YIBMHRUILJZEHV-CDDKBXLESA-N 414.571 3.540 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCCc1ccccc1OC)C2 14752284 KLPXAOFJXNHNQF-HXUWFJFHSA-N 424.589 3.617 0 50 HHAA CCc1c(C)sc2[nH]c(=S)n(NC(=O)COc3ccc(C)cc3C)c(=O)c12 17082726 DVQXSORMGMRQAM-UHFFFAOYSA-N 403.529 3.757 0 50 HHAA FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(Cc4cccnc4)C3)CC2)c1 19798620 MORMPUYFYCRRMZ-OAQYLSRUSA-N 404.480 3.887 0 50 HHAA CN(Cc1cccnc1)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 55255171 HXKDGRKWFQMKAV-UHFFFAOYSA-N 419.554 3.738 0 50 HHAA CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1 144381774 LPHHQYKGKRJZTF-CQSZACIVSA-N 412.490 3.767 0 50 HHAA CCOc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccccc5F)no4)c3CO2)cc1 169758408 FDUUBFABVRCRAC-GOSISDBHSA-N 407.405 3.804 0 50 HHAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)s4)ccn3n2)c(C)c1 169775703 LCWYKRFWAQBKCH-UHFFFAOYSA-N 406.511 3.580 0 50 HHAA O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F 195627169 FQUILCACLKZVKX-UHFFFAOYSA-N 416.338 3.863 0 50 HHAA CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 252477045 HFSUCFZKYLYZFV-MDASCCDHSA-N 402.926 3.850 0 50 HHAA O=S(=O)(NC1CCN(Cc2ccccc2)CC1)C1CCC(C(F)(F)F)CC1 253426936 BZWCKXKASUMAAX-UHFFFAOYSA-N 404.498 3.692 0 50 HHAA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 756024603 SVEITPPCCRSYPV-KNQAVFIVSA-N 412.505 3.935 0 50 HHAA CCNC(=O)c1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1 952962935 GMNRFZAJJCQNRQ-SFHVURJKSA-N 423.513 3.524 0 50 HHAA O=C1NCCN(C(=O)c2ccc3c(c2)CCC=C3)[C@@H]1c1ccc(C(F)(F)F)cc1 1266882760 JLGRVEZZSHTFPF-LJQANCHMSA-N 400.400 3.978 0 50 HHAA COc1ccc(-c2ccc(C(=O)N(C)Cc3nc4ccc(C)cc4[nH]3)c(O)n2)cc1 1506407326 MWDUPOCXEAMEFI-UHFFFAOYSA-N 402.454 3.920 0 50 HHAA NC(=O)COc1ccc(CN2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cc1Cl 1506429748 ZLYHOUYJZKNDAB-UHFFFAOYSA-N 416.884 3.599 0 50 HHAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCCc3ccccc3)CCSCC2)o1 1776111295 MGEOLGOSNXRSCJ-UHFFFAOYSA-N 401.528 3.558 0 50 HHAA Cc1nc(-c2ccccn2)n(Cc2ccc(Cn3nc(C)nc3-c3ccccn3)cc2)n1 2325739473 MFEOUHKBYVKWBS-UHFFFAOYSA-N 422.496 3.707 0 50 HHAA O=C(NCc1cccs1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 826516 PHGQUJVINZRHEA-UHFFFAOYSA-N 403.389 3.802 0 50 HHAA O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(F)cc1 991867 SVTRDJBJMCOYEM-UHFFFAOYSA-N 403.365 3.666 0 50 HHAA Cn1c(SCc2ccccc2)nc2ccc(I)cc2c1=O 2859697 KLAVYTIXLOXABG-UHFFFAOYSA-N 408.264 3.830 0 50 HHAA COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 2960989 SRYHAUPEXMNSKK-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA O=C(N/C(=C\c1cccnc1)C(=O)N1CCCCC1)c1cccc(Br)c1 4567341 XYQQJCXLGMOYDA-PDGQHHTCSA-N 414.303 3.628 0 50 HHAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)CSc2ccccc2)CC1 11662800 JSXJDOWVXRFPTF-SFHVURJKSA-N 405.560 3.910 0 50 HHAA COc1ccc(OCc2cc(C(=O)N[C@@H](C)Cc3ccccn3)no2)c(Cl)c1 11667970 JWCSYYMAORRZMX-ZDUSSCGKSA-N 401.850 3.672 0 50 HHAA CCCCn1c(CN2CCCC[C@H]2COC)cnc1S(=O)(=O)C1CCCCC1 11936742 IHANOOFGVIYUOF-SFHVURJKSA-N 411.612 3.791 0 50 HHAA CCc1ocnc1C(=O)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 11996653 FFFKBYQHHULZAF-MRXNPFEDSA-N 403.473 3.890 0 50 HHAA Cc1occc1C(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 12075603 MPCGXYMTJWGJHW-UHFFFAOYSA-N 409.530 3.569 0 50 HHAA CC(=O)Nc1ccc(C(=O)Nc2sc(Nc3ccc(C)cc3)nc2C(N)=O)cc1 12461689 RWNDPFJQAMDBNT-UHFFFAOYSA-N 409.471 3.505 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)/C=C/c2cnn(C)c2)CC1 12758383 PYBUGROAMIDFIO-VAWYXSNFSA-N 409.530 3.628 0 50 HHAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C[C@H]1CC=CCC1)CC2 14530307 AMHCWVWTOGMGKR-IBGZPJMESA-N 411.546 3.670 0 50 HHAA CCOc1ccc2nc(CN3CCN(Cc4ccsc4)[C@H](CCO)C3)ccc2c1 36385567 UEFMQICMWILKST-OAQYLSRUSA-N 411.571 3.764 0 50 HHAA CCCC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 169817549 NTFXSLYJVDZFMK-UHFFFAOYSA-N 407.145 3.957 0 50 HHAA CCOC(OCC)c1nnc(SC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C 170592915 DZLJCXVCHAULFV-CQSZACIVSA-N 414.572 3.626 0 50 HHAA C[C@H](O)[C@@](C)(CNC(=O)c1cccc(NC(=O)c2ccco2)c1)Cc1ccccc1 170611682 SEFOUZGVVRXVEP-BXKMTCNYSA-N 406.482 3.892 0 50 HHAA CC(C)[C@@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C 223242822 SGIMSRLUHMGFGC-JOCHJYFZSA-N 417.513 3.577 0 50 HHAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cccnc1Oc1ccc(Br)cc1 229605432 BKRAGWZUQLQYSL-MSOLQXFVSA-N 416.319 3.993 0 50 HHAA O=C(Nc1ccc(Br)cc1)N1CCC(c2nnc3n2CCCC3)CC1 479708402 UBXZKBHNEBKZGI-UHFFFAOYSA-N 404.312 3.788 0 50 HHAA COc1cc(OC)c2nc(N3CCC[C@@H](c4nnc5ccccn45)C3)cc(C)c2c1 1704336367 MIBQWYCFTMVOEC-MRXNPFEDSA-N 403.486 3.987 0 50 HHAA COc1c(F)cccc1CN1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857704536 WGNZVQBFHPEXAE-DEOSSOPVSA-N 420.488 3.872 0 50 HHAA O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(Cn2ccccc2=O)o1 1875254712 XVRHZQIHNOLXBH-UHFFFAOYSA-N 412.348 3.780 0 50 HHAA C[C@H](Nc1ccc(Oc2cnccn2)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 1875258700 MXLLZIMTRJPJSW-INIZCTEOSA-N 417.469 3.835 0 50 HHAA Cc1cc(C(F)(F)F)ccc1CC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)O)C1 2325851970 OJQZMDJCANBHQP-IEBWSBKVSA-N 405.416 3.958 0 50 HHAA O=C1N[C@H](c2cccs2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 909073 FPEQHSJHBCNENB-ZOWXZIJZSA-N 404.797 3.505 0 50 HHAA COc1ccc(NC2CCN([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 1070202 XHDMROWYTZNCOQ-HXUWFJFHSA-N 413.905 3.557 0 50 HHAA Cc1ccc(OCCOCCOc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1C 5102462 JZJKNAZYBUQQBX-ZHZULCJRSA-N 412.511 3.917 0 50 HHAA CCc1c(C)sc(NC(=S)N2CCN(c3cccc(O)c3)CC2)c1C(=O)OC 6394602 KUVGZTQFSNQQOO-UHFFFAOYSA-N 419.572 3.630 0 50 HHAA COc1ccc(OCCCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 9087273 PLXYEEKNNWATMP-UHFFFAOYSA-N 420.512 3.506 0 50 HHAA C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(COc2c(F)cccc2F)on1 12435798 JHJKZVZIBCYDDD-OAHLLOKOSA-N 413.424 3.883 0 50 HHAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)c1sccc1C 12450422 MIQSZTKYOCJQOA-UHFFFAOYSA-N 413.543 3.968 0 50 HHAA COC(=O)c1ccc(C(=O)N(CCc2ccc(OC)cc2)CC2CCN(C)CC2)cc1 12704488 BIXZQGIXVHLEEP-UHFFFAOYSA-N 424.541 3.509 0 50 HHAA Cc1ccc(OCCN(C)C(=O)c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 12718906 PYMIBJGFSSSCGY-UHFFFAOYSA-N 418.419 3.805 0 50 HHAA Cc1ccc(N2C(=S)N[C@@H]3c4cc(Cl)ccc4O[C@@]2(C)[C@@H]3C(=O)N(C)C)cc1 13497252 FMPQCKISLAKUSP-UEXGIBASSA-N 415.946 3.897 0 50 HHAA O=C(c1ccco1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 15068112 GKLWJSCNDPEDRS-GOSISDBHSA-N 407.436 3.725 0 50 HHAA Cc1ccc(CN[C@H]2CCc3c(sc4ncn(Cc5ccccn5)c(=O)c34)C2)cc1 20599054 LCZNKPCKWJSOKJ-SFHVURJKSA-N 416.550 3.857 0 50 HHAA COc1cc([C@H]2C[C@@H](NC(C)=O)C[C@@H](c3cccc4nsnc34)O2)ccc1F 65505120 YMWZVQLCOFFFAL-XWIAVFTESA-N 401.463 3.937 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc4cc(F)ccc4n3)C[C@@H]2CCO)cc1C 76837366 CXTRHKLLVOKKDK-QHCPKHFHSA-N 423.532 3.760 0 50 HHAA O=C(CCS[C@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1 101160291 FRYPKFQTMNXYSJ-INIZCTEOSA-N 406.866 3.873 0 50 HHAA CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 170597466 FLBPPPZJVZBPKC-PKTZIBPZSA-N 423.557 3.691 0 50 HHAA COCc1c(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)sc2cccc(F)c12 170618673 QSPPTRRCKQNMFP-LBPRGKRZSA-N 400.479 3.579 0 50 HHAA COc1ccc(CN(C)C(=O)CN(Cc2ccccc2C(F)(F)F)C2COC2)cc1 225613786 JRXSJWCCJWUEJS-UHFFFAOYSA-N 422.447 3.573 0 50 HHAA CCCOc1ccc(CNc2ccc(C(=O)N[C@H](C)CO)cc2)c(OCCC)c1 225642441 MSUSEXBGHXDJSN-QGZVFWFLSA-N 400.519 3.987 0 50 HHAA CCCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 248233904 BIROQCBOOCIHGW-WDJPJFJCSA-N 416.562 3.780 0 50 HHAA biogenic O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCCN2CCC[C@H]2C1 252474621 IJVQQXZDUWCJLA-GOTSBHOMSA-N 416.512 3.602 0 50 HHAA Ic1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 252508223 XHDSDBGYEGPDHC-UHFFFAOYSA-N 405.224 3.519 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N(C)Cc3cscn3)csc2C1 426360113 HOSAWQJQLKKLIH-UHFFFAOYSA-N 402.545 3.640 0 50 HHAA Fc1ccc2cnc(N3CCC(NCc4nncn4C4CCCCC4)CC3)nc2c1 826607755 KWSOJADHSFGBSU-UHFFFAOYSA-N 409.513 3.624 0 50 HHAA O=C(c1ccncc1)N1CCC(NC[C@@H](c2ccccc2)N2CCCCCC2)CC1 828193908 CJZUGEPIKLCDOP-DEOSSOPVSA-N 406.574 3.893 0 50 HHAA CN1C(=O)C[C@H](C(=O)Nc2ccc(N3CCCC3)c3ncccc23)c2ccccc21 952977213 PBZHBUONDRCZNP-SFHVURJKSA-N 400.482 3.924 0 50 HHAA O=C(c1ccccn1)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857704665 BBCQYXNRAPOKSM-NRFANRHFSA-N 421.541 3.710 0 50 HHAA O=C(Cc1ccccc1F)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356158238 FYPHBWUFUQRKGG-KJBBBAAKSA-N 420.528 3.839 0 50 HHAA CCOc1ccccc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1 857836 CTUFBNJWKLXAKZ-UHFFFAOYSA-N 416.543 3.730 0 50 HHAA CCCN1C(=O)[C@](O)(CC(=O)c2c(C)coc2C)c2cc(Br)ccc21 1075367 KQMAMYQSYZLKMB-IBGZPJMESA-N 406.276 3.876 0 50 HHAA CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ncccc1C 1143921 IIZCFNJSWIKBSP-UHFFFAOYSA-N 417.922 3.965 0 50 HHAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C(C)=O)cc1 1172500 RWOUJMBSLBSYNY-UHFFFAOYSA-N 407.289 3.787 0 50 HHAA Cc1ccc(N2CCC[C@]3(CCCN3CCn3c(=O)oc4ccccc43)C2=O)cc1 2356134562 SDEMHXPFZZEFMB-XMMPIXPASA-N 405.498 3.565 0 50 HHAA COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2C)cc1 2849327 WFMNFQMDTKNDPV-UHFFFAOYSA-N 420.897 3.938 0 50 HHAA COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(Cl)(Cl)C(O)=N3)cc1 6578938 YQMQBRHIYONMOH-UHFFFAOYSA-N 415.254 3.506 0 50 HHAA COc1ccc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1OC 6761914 DNZHPHUYXYMNNV-UHFFFAOYSA-N 402.922 3.886 0 50 HHAA O=C(Nc1cccc(CNC(=O)c2ccc(Br)o2)c1)c1cccnc1 219907489 KEIQGEUYZVJDCN-UHFFFAOYSA-N 400.232 3.619 0 50 HHAA CC(C)(C)OC(=O)N1CCN(c2ncnc3cccc(F)c23)[C@@H](c2cccnc2)C1 225699472 NDEDSBGDQAYKPR-GOSISDBHSA-N 409.465 3.962 0 50 HHAA Cc1cccc(CN2CCC(C(=O)NCc3nc(-c4ccccc4C)no3)CC2)c1 67601890 FHYCISLULZQHDF-UHFFFAOYSA-N 404.514 3.882 0 50 HHAA O=C([C@H]1CCc2c[nH]nc2C1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 463612382 MRXRGELVELDJSH-HOCLYGCPSA-N 411.893 3.624 0 50 HHAA O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCCN(Cc2ccccc2)C1 247475643 HBNNDWATDWCNGP-UXHICEINSA-N 413.512 3.820 0 50 HHAA COc1cccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)c1 20776681 XOEVNSNSUCFBOV-FQEVSTJZSA-N 408.464 3.783 0 50 HHAA COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2nc(SC)n3ccccc23)C1 170618039 YCYVRMHXEFUVGS-CQSZACIVSA-N 416.934 3.727 0 50 HHAA CC(C)C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cnc2ccccn2c1=O 19113695 OZZLMDZVAMHLRL-HXUWFJFHSA-N 400.482 3.962 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3CCN([C@H]4CCc5ccccc5C4)CC3)n[nH]2)cc1 825180608 CHJZPFYQTFUHBB-QFIPXVFZSA-N 400.526 3.700 0 50 HHAA C[C@H]1C[C@H](c2cccnc2)N(C(=O)COc2ccc(I)cc2)C1 170594672 AWPYDMKHJFQTIN-SUMWQHHRSA-N 422.266 3.675 0 50 HHAA CCCCCn1nc(C(=O)NCc2nc(-c3cccs3)c[nH]2)c2ccccc2c1=O 170598389 NCQZOXRDABRQDW-UHFFFAOYSA-N 421.526 3.968 0 50 HHAA O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCCc1nc(-c2ccccc2)cs1 12123153 ORNYGDISVPWHME-HSZRJFAPSA-N 423.538 3.734 0 50 HHAA CCCn1cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)c(C)n1 12703389 VHVZVWDPTHDHJN-PTLVVNQVSA-N 408.546 3.548 0 50 HHAA COC(=O)c1c(NC(=O)c2ccc(OC)cc2)c2cc(NCC(C)C)cnc2n1C 14537595 QUTPACMEWOUWCD-UHFFFAOYSA-N 410.474 3.689 0 50 HHAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2cccc(Cl)c2)CC1 19889717 HAJNYFRZPPIMFU-UHFFFAOYSA-N 400.931 4.000 0 50 HHAA O=C(Cc1ccc(Cl)cn1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 785917643 QZVUTRVTHNVXBM-HXUWFJFHSA-N 406.873 3.960 0 50 HHAA CC1CCN(c2nc3ccccc3nc2SCC(=O)NO[C@H]2CCCCO2)CC1 2325742208 OMSSBOHWZXKPKA-IBGZPJMESA-N 416.547 3.533 0 50 HHAA O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](CCO)c2ccccc21 2325827818 RAYOGPMTKLBLTL-VIFPVBQESA-N 422.753 3.839 0 50 HHAA CCCCC[C@@H](O)/C=C/[C@H]1[C@@H]2C[C@H](CO2)[C@@H]1C/C=C\CCCC(=O)NCC(=O)OC 100016767 STIYTIWKJAUJKK-AVYHINAVSA-N 421.578 3.541 0 50 HHAA in-vitro COc1ccc(CCN2C(=O)c3ccccc3[C@@]2(O)Cc2ccccc2)cc1OC 892411 OXCDRVNXONCNKZ-VWLOTQADSA-N 403.478 3.790 0 50 HHAA CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCc1ccccc1F 1116744 QROVLNOUAGYJKR-BOPFTXTBSA-N 400.475 3.833 0 50 HHAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Br)cn1 1173677 IBIWBJSHSJSLPB-UHFFFAOYSA-N 400.685 3.633 0 50 HHAA O=C(Nc1ccc(I)cc1Cl)c1ccc2c(c1)OCO2 2855821 PKOHUTDBIOIKDK-UHFFFAOYSA-N 401.587 3.926 0 50 HHAA Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)c2)c1 2891059 OITVFZXFBDIOLE-DDVIMMDMSA-N 404.466 3.692 0 50 HHAA COc1ccc(NC(=S)N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cc1 2913321 XGHVNULAKCXATL-NSHDSACASA-N 412.770 3.840 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCSc2ccccc2)c1 4740517 CYTRSYPYLLFSRX-UHFFFAOYSA-N 422.572 3.847 0 50 HHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)CC[C@]3(Cc4ccco4)CCC(=O)N3)C2)cc1 11787758 FSKYHMQDARIDQW-NLFFAJNJSA-N 424.541 3.877 0 50 HHAA Cc1ccsc1C(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1 11964352 VOFIYPRIBGIGED-GOSISDBHSA-N 416.518 3.779 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@H]1CC(=O)Nc2ccccc21 12314897 BSZMVQVHOMYKRN-QFIPXVFZSA-N 423.532 3.665 0 50 HHAA Cn1c(SC[C@H]2CCCO2)nnc1C1CCN(Cc2cc(F)ccc2F)CC1 12330918 SATQOWAKIJWUKM-QGZVFWFLSA-N 408.518 3.744 0 50 HHAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccncc3)cc2)n1 12464745 MVZPIZRWAMRPNZ-NRFANRHFSA-N 403.486 3.518 0 50 HHAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(CC[C@H](C)c1ccc(C)o1)CC2 14543032 FRAUQZBZUATNSD-KRWDZBQOSA-N 422.529 3.956 0 50 HHAA OCc1ccc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@H]2CCCO2)o1 14960414 REUJUSLOYQBROL-OAQYLSRUSA-N 416.537 3.804 0 50 HHAA O=C1C[C@@H](C(=O)NC[C@@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)c2ccccc21 14984693 WDCBFRIUJLFSAA-QFBILLFUSA-N 402.425 3.678 0 50 HHAA COC(=O)CNc1c(Br)cc(Br)cc1Br 20504696 JCZKFWWBROUJEH-UHFFFAOYSA-N 401.880 3.559 0 50 HHAA O=C1[C@H]2[C@@H](c3ccccc3)N3CCCN3[C@H]2C(=O)N1c1c(Cl)cccc1Cl 138542131 GPOCAKKYADEXAK-LZLYRXPVSA-N 402.281 3.529 0 50 HHAA C[C@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 142805395 LOAFSWHUOUKUPQ-XTWXUEHJSA-N 416.521 3.506 0 50 HHAA CCCc1noc(-c2cccn3c(CNC(=O)[C@@H](CC)c4ccccc4)nnc23)n1 169776046 NEEZNUPHNUTREX-INIZCTEOSA-N 404.474 3.542 0 50 HHAA CC[C@H]1CN(CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1nc(-c2cccnc2)cs1 170613510 DGVXAVIHODYYOB-SJORKVTESA-N 417.579 3.683 0 50 HHAA C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C(=O)NC2CC2)C1 239309205 HHIPYHRVBWDGOQ-KWCYVHTRSA-N 404.532 3.595 0 50 HHAA O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 253414588 XXEFNKUKVVUJPS-BZRIBIQUSA-N 403.530 3.507 0 50 HHAA biogenic CO[C@@H]1O[C@@H]2CC[C@H](c3ccccc3)C[C@H]2[C@H](OC(C)=O)[C@H]1NC(=O)c1ccccc1 257346940 GMOOACLSMCVXRV-KTMWKADFSA-N 423.509 3.672 0 50 HHAA COc1ccc(F)c(CN2CCC[C@]3(CCN(CCn4cc(Cl)cn4)C3)C2)c1 426648176 RPOGEBDWDQUXDG-OAQYLSRUSA-N 406.933 3.672 0 50 HHAA CC(=O)N1CCC(N(Cc2csc(-c3ccoc3)n2)Cc2cncs2)CC1 429173780 BVXSHUYWGVAJFH-UHFFFAOYSA-N 402.545 3.873 0 50 HHAA C[C@H](SCC(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1nc2ccccc2[nH]1 444461323 RFPKHIZWIKUEAV-INIZCTEOSA-N 424.570 3.953 0 50 HHAA Cc1ccc2c(C(=O)Nc3cc(C4CC4)nn3[C@H]3CCS(=O)(=O)C3)csc2c1 480119011 WJKIFNOTLAASPB-AWEZNQCLSA-N 415.540 3.896 0 50 HHAA Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cn(-c3ccccc3Cl)nn2)CC1 804514138 FTCWFONSADYRRD-NRFANRHFSA-N 410.905 3.815 0 50 HHAA CCc1nc(CNC(=O)c2cc(=O)c3c(OC)c4ccoc4c(OC)c3o2)cs1 824528195 CCWCJDCBEKLYJD-UHFFFAOYSA-N 414.439 3.505 0 50 HHAA COC(=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 1848443576 DLYVTEULDNMQAR-OTOXXYKESA-N 422.606 3.537 0 50 HHAA Cc1cnc(C(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)cn1 1857703441 MHWQQIFIRPZBTM-QFIPXVFZSA-N 422.573 3.887 0 50 HHAA CNc1cc(N2CCC[C@H]2CN=c2nc(-c3cccs3)[nH]c3ccccc23)ncn1 1875334430 NSJADFFXNKAJMN-HNNXBMFYSA-N 417.542 3.693 0 50 HHAA COc1cnccc1-c1ccc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)cc1 2356153112 RWMMIGGSJQEVDK-HSZRJFAPSA-N 403.482 3.738 0 50 HHAA COc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 669952 GUROLWHHGPVHKJ-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1C 1142045 CDEOSPHUUJJDGT-UHFFFAOYSA-N 404.271 3.898 0 50 HHAA COC(=O)c1c(C(=O)OC)c2c3ccccc3cnn2c1C(=O)c1ccc(Cl)cc1 2544842 OXJUZJJVSGRKAZ-UHFFFAOYSA-N 422.824 3.945 0 50 HHAA CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCOc1ccccc1 4482393 ALIABIHPBFXMBP-NRFANRHFSA-N 410.470 3.726 0 50 HHAA COC(=O)c1cccc(NC(=O)/C(=C\c2ccc(F)cc2)NC(=O)c2ccco2)c1 5101648 GZRBCPLVSYIZGD-LDADJPATSA-N 408.385 3.615 0 50 HHAA CS(=O)(=O)c1ncc(CN2CCC(c3ccncc3)CC2)n1CC1CCCCC1 11663792 COMIZAFOUJCQRK-UHFFFAOYSA-N 416.591 3.642 0 50 HHAA COc1ccc(-c2ncc(CN3CCC(CO)(C[C@H]4CCCCO4)CC3)cn2)cc1 11934980 CYVVINVVXOFQSQ-JOCHJYFZSA-N 411.546 3.686 0 50 HHAA Cc1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 11937009 BVOPYJYZRJIJFT-QFIPXVFZSA-N 403.486 3.966 0 50 HHAA Cc1cccc(CN[C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)c1 14746108 BFOGZZBCJLJBNI-NRFANRHFSA-N 402.542 3.589 0 50 HHAA O=C(NCCCN1CCC[C@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 14963087 LYVQFBNDVGHBEM-NRFANRHFSA-N 421.541 3.580 0 50 HHAA COCCN1CCC(CN(Cc2ccncc2)Cc2cnn(-c3ccccc3)c2)CC1 15073291 DUQYRLYQQOTGTB-UHFFFAOYSA-N 419.573 3.628 0 50 HHAA Cc1c(Cl)ccc2c(C(=O)NCCCN3CCOCC3)cc(-c3ccccn3)nc12 20295532 SHRFEMANKNDQSG-UHFFFAOYSA-N 424.932 3.711 0 50 HHAA CN(C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1)C1CCOCC1 77406038 MEVDLBCMEREOHP-UHFFFAOYSA-N 411.546 3.969 0 50 HHAA O=C(N[C@H]1CCN(c2cc(-c3ccccc3)n[nH]2)C1)c1ccc(Br)cc1 169753828 SYEVJSXXBDCENF-KRWDZBQOSA-N 411.303 3.848 0 50 HHAA CC(C)C[C@@H](C(=O)NCCCc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O 252500924 TZKZLTNLFNDGRT-NRFANRHFSA-N 404.514 3.682 0 50 HHAA CCN1CCN([C@H]2CCN(C(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)CC1 436636538 RIQQTARMSSXNKU-IBGZPJMESA-N 415.622 3.839 0 50 HHAA C[C@@H](NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1Cl 477924738 GQZDAFJQDUNPSA-HIFRSBDPSA-N 406.864 3.701 0 50 HHAA COc1ccc2occ(-c3nc(-c4ccc(OC)c(OC)c4)c(C)n3O)c(=O)c2c1 824757838 MZMFGHACDAZNQN-UHFFFAOYSA-N 408.410 3.895 0 50 HHAA Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCCN1Cc1cccnc1 1251748786 HIQCUUHFUNBZPL-DEOSSOPVSA-N 417.557 3.614 0 50 HHAA O=C(NCc1ccccc1)[C@@]12CCCCN1C[C@@H](Nc1nccc3ccccc13)C2 1857702682 GSEAPZVPWDYICQ-OFVILXPXSA-N 400.526 3.960 0 50 HHAA COc1ccccc1Cc1nc([C@H]2CC[C@@H](N)[C@H](OC)C2)n(-c2ccccc2F)n1 1857716624 CFRAGLKTJHRPFD-YRISNDGFSA-N 410.493 3.616 0 50 HHAA CC1(C)CCc2c(sc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)c2C(=O)O)C1 2325829900 VRPMGZNRTFQUTA-LBPRGKRZSA-N 404.532 3.691 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc(Cl)ccc3OC)C2)[C@@H]2CCCC(=O)N12 2356146817 WUKOIUXMDXYFJG-QXGSTGNESA-N 404.938 3.990 0 50 HHAA CN(C)c1ccc(C(=O)N2CCC[C@]23CCCN(CCc2ccccc2)C3=O)cc1 2356163027 PONNWZHPULOJAO-VWLOTQADSA-N 405.542 3.593 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccncc1 648821 IQXGNWNOBPDKGX-UHFFFAOYSA-N 418.320 3.853 0 50 HHAA CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21 1132754 DJLQWQYQRBSPBD-GOSISDBHSA-N 408.679 3.930 0 50 HHAA CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@H]12 1156077 ALOBHKZKIFYQSA-YPHDTHBOSA-N 409.441 3.956 0 50 HHAA Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(=O)n1CC(=O)O 2541545 HCWRQDDZALSSOU-UHFFFAOYSA-N 404.422 3.602 0 50 HHAA CCn1ncc(NC(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)c1C 2787343 IFSPQTINIQARMG-UHFFFAOYSA-N 402.243 3.624 0 50 HHAA Cc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)c1ccc(Br)s1 2841992 JEOYAZAOOZHETP-HNNXBMFYSA-N 400.681 3.885 0 50 HHAA CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(-c3ccco3)c1)CC2 11784282 AMRHSHCXFPAKSN-OAQYLSRUSA-N 421.545 3.820 0 50 HHAA COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](N2CCCCC2)C4)c1 12278907 DKIDZKCPYLFBSU-QGZVFWFLSA-N 409.555 3.858 0 50 HHAA Cc1cn2c(C(=O)N(C)C[C@H]3CCCN(CCc4ccccc4F)C3)csc2n1 12302464 MCHJQKPCCKVFAU-QGZVFWFLSA-N 414.550 3.870 0 50 HHAA COCc1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3cc4ccccc4[nH]3)C2)s1 12581661 RXBHWFLSAZELPV-HNNXBMFYSA-N 411.527 3.658 0 50 HHAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@H]2CC23CCC3)CC1 12754774 HDMISJZCQLNZCP-HXUWFJFHSA-N 406.530 3.808 0 50 HHAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 15077064 QGPYDPUQHYABSP-IBGZPJMESA-N 423.948 3.508 0 50 HHAA CC1=C(C)C[C@@H](C(=O)Nc2sccc2C(=O)NCc2ccco2)[C@@H](C(=O)O)C1 17082396 JUZAYHZVIIUIAT-CVEARBPZSA-N 402.472 3.657 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(Cc2ccc3nsnc3c2)C1 19774000 JDCDWEDQQHQOHR-GOSISDBHSA-N 423.586 3.780 0 50 HHAA Cc1ccc(C)c(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 20993883 HOXXHZMKITYHDE-QFIPXVFZSA-N 421.545 3.673 0 50 HHAA O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CN2CCOCC2)cc1 22238507 VWCZRTKAQRMVBZ-UHFFFAOYSA-N 404.963 3.835 0 50 HHAA C[C@@H](c1ccccn1)N(C)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 55211387 SPILOPOZGGGDRQ-SFHVURJKSA-N 412.559 3.507 0 50 HHAA O=C(CC[C@H]1CCCN(S(=O)(=O)C2CC2)C1)Nc1ccc(C(F)(F)F)cc1 95507590 PDFOPMYBBJFXPZ-CYBMUJFWSA-N 404.454 3.628 0 50 HHAA CC[C@@H]1CN(C(=O)C[C@H]2C(=O)Nc3cc(OC)ccc32)Cc2ccc(Cl)cc2O1 102214003 OIBFMPCGPQUXFE-CRAIPNDOSA-N 414.889 3.974 0 50 HHAA COc1ccc(C(=O)NCCn2cccc2-c2nc(-c3ccccc3)no2)cc1F 169754419 NRVZKSGKRDHODQ-UHFFFAOYSA-N 406.417 3.783 0 50 HHAA C[C@@H]1C(=O)N(C[C@@H](O)COc2cccc3ccccc23)C(=O)N1c1ccc(F)cc1 170124196 VUVVBJHSPNTYTJ-DNVCBOLYSA-N 408.429 3.576 0 50 HHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c(F)c1)N1CCCN1[C@H]2c1ccc(Cl)cc1 239306108 GKVDWFQQUGKLFR-OKZBNKHCSA-N 420.271 3.668 0 50 HHAA O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 245227702 LZILBDLXYOPFAT-HXIANDDZSA-N 402.425 3.636 0 50 HHAA COc1ccccc1CN(CCc1ccc(F)cc1)C(=O)c1ccc(C)n(C)c1=O 952982010 ZDGHEJFHRWVXBX-UHFFFAOYSA-N 408.473 3.727 0 50 HHAA O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc(-c2ccccc2F)nc2onc(C3CC3)c12 2325730468 IGKZUQBGWMLVMR-CQSZACIVSA-N 417.444 3.917 0 50 HHAA CC(C)c1ncncc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2cccnc2c1 2325786955 LSOJPGAMAUGDSS-WOJBJXKFSA-N 417.513 3.619 0 50 HHAA O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@H]1CCNc2ccccc21 2325860405 HPEIRQUPOXPCEP-KRWDZBQOSA-N 417.307 3.634 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(Br)cc2)cc1 2325888954 WLVBJBNJGAPOSU-ZWKOTPCHSA-N 415.287 3.522 0 50 HHAA CN(C)c1ccc(C(=O)N2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)cc1 2356163026 PONNWZHPULOJAO-RUZDIDTESA-N 405.542 3.593 0 50 HHAA CC(=O)N(C)c1ccc(NC(=O)c2ccc(C)c(I)c2)cc1 675384 CVMWBWLCMSZAID-UHFFFAOYSA-N 408.239 3.835 0 50 HHAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Br)NC(=S)N1 708997 OFCYTGMXJDUUEA-INIZCTEOSA-N 402.317 3.881 0 50 HHAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 1123477 CRSNGISIZKNKJA-NSHDSACASA-N 417.314 3.650 0 50 HHAA CCc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2)cc1 1133785 IBVYBRVFPCCOOR-UHFFFAOYSA-N 400.544 3.847 0 50 HHAA CCCC(=O)N[C@H](Nc1sc2c(c1C(N)=O)CCCC2)C(Cl)(Cl)Cl 2069450 RKQRZTYCMMVRIP-CQSZACIVSA-N 412.770 3.750 0 50 HHAA CCCc1nnc(NC(=O)[C@H](CC)Sc2nnc3c(n2)[nH]c2ccccc23)s1 2774712 PEHFKHXKLSJOCS-LBPRGKRZSA-N 413.532 3.820 0 50 HHAA COc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 2884857 NMZSTIVJJIPRMY-UHFFFAOYSA-N 421.522 3.971 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C(N)=O)C1 5021127 MXASBNLPNWRENT-AGIUHOORSA-N 404.532 3.604 0 50 HHAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Br 5066798 PJCOUWQZPUCSPL-QGZVFWFLSA-N 416.275 3.724 0 50 HHAA O=C(Cn1cccn1)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 12020276 GSEGBYYWEAEOQX-OAHLLOKOSA-N 401.388 3.689 0 50 HHAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C/C=C/c2ccccc2)CC1 12297653 JDHVZQXTDOOMCP-RMKNXTFCSA-N 424.541 3.628 0 50 HHAA O[C@@H](COc1ccccc1CNC(C1CC1)C1CC1)CN1CCc2ccccc2C1 12387155 UACQWMSMVCHSEV-XMMPIXPASA-N 406.570 3.763 0 50 HHAA C[C@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3ccc4c(c3)OCO4)c3cccc1c32 12417596 LNOWUMLZVGLRMA-ZAMGYDSWSA-N 422.506 3.981 0 50 HHAA Cc1cnc(C(=O)N(CC2CCN(Cc3ccccc3C)CC2)C[C@@H]2CCCO2)cn1 12475763 VOKSEMVMTXWRFM-QHCPKHFHSA-N 422.573 3.627 0 50 HHAA CCCOc1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1OCC 13618612 KXKOXQGEDDUYFK-RGEXLXHISA-N 407.495 3.553 0 50 HHAA COc1ccc(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)Cc1cccc2ccccc12 14965386 FHALEXOBIOMDRB-UGKGYDQZSA-N 400.478 3.716 0 50 HHAA COCCN(C(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1)C(C)C 19218615 ICYNQZHFYGXVJM-UHFFFAOYSA-N 415.622 3.555 0 50 HHAA COCCN1CCC(CN(Cc2ccncc2)Cc2csc(C(C)=O)c2)CC1 55198220 KLNCGVSOPHFPEI-UHFFFAOYSA-N 401.576 3.706 0 50 HHAA C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)C1 461299935 IDTMQLOLJRFBGC-KKSFZXQISA-N 419.518 3.998 0 50 HHAA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N1Cc2cnn(-c3ccccc3)c2C1 493987452 UUJACAASFPPMHI-UHFFFAOYSA-N 420.472 3.924 0 50 HHAA Cc1cc(CN2CCCN(C(=O)[C@H](Oc3ccccc3)c3ccccc3)CC2)no1 1321082243 VHBZTZWUJAXSDQ-HSZRJFAPSA-N 405.498 3.838 0 50 HHAA COc1ccc(Cl)cc1[C@H](C(=O)O)N1CCC(c2nnc3n2CCCCC3)CC1 1506396123 OESUASITWQKLMX-LJQANCHMSA-N 418.925 3.672 0 50 HHAA Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnc2n1CCC2 1875320650 JGDXMOJFVSDSID-UHFFFAOYSA-N 414.469 3.529 0 50 HHAA O=C(O)c1c(NCCc2noc([C@@H]3CCCO3)n2)noc1-c1ccc(Cl)cc1 2356145698 RZBIKQAHALGUQJ-LBPRGKRZSA-N 404.810 3.582 0 50 HHAA Cc1ccc(OCCCN(C)C(=O)c2ccc3nnc([C@@H](O)C(C)C)n3c2)c(C)c1 2356165012 PAMLZWDDULNIJV-NRFANRHFSA-N 410.518 3.577 0 50 HHAA CCOc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1 654393 HTJQBXDFVLYBHS-UHFFFAOYSA-N 416.543 3.648 0 50 HHAA Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 820658 GUYUDRPTLMGJKS-OAHLLOKOSA-N 406.718 3.895 0 50 HHAA Cc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)c1 1143361 FDJCQFSHGJTBNW-UHFFFAOYSA-N 402.476 3.969 0 50 HHAA CSc1nnc2c(n1)O[C@@H](c1ccccc1OC(C)=O)N(C(C)=O)c1ccccc1-2 1160171 FHTSUMLSLCUMEC-FQEVSTJZSA-N 422.466 3.630 0 50 HHAA O=C(c1ccccc1Br)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 1215057 PSIGKQFTVPRZOH-INIZCTEOSA-N 413.193 3.950 0 50 HHAA COc1ccc(C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc1OC 1822503 BDXQLRJYFWOUNU-UHFFFAOYSA-N 407.422 3.648 0 50 HHAA biogenic CCOc1ccc(Cc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1OCC 2802509 XHIURRGXHHUICZ-UHFFFAOYSA-N 414.469 3.851 0 50 HHAA CCOC(=O)c1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)nc1-c1ccccc1 5510619 PPZCCVUBFFFPBO-KGLIPLIRSA-N 402.472 3.816 0 50 HHAA COc1ccc(OCc2cc(C(=O)NCc3ccccc3OC)no2)c(Cl)c1 12570294 ARCLQGFAGMPQEK-UHFFFAOYSA-N 402.834 3.854 0 50 HHAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccccc1Br 13745430 RBOJNQNPWBCYOY-UHFFFAOYSA-N 404.264 3.566 0 50 HHAA CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](N(C)CCc1ccccn1)C3 15000027 NGUIWJYNKDVZKR-GOSISDBHSA-N 410.587 3.931 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1cccs1 15068384 ATSUDEWQRRXDGW-UHFFFAOYSA-N 402.560 3.758 0 50 HHAA Sc1nnc(COc2ccc(Br)cc2Cl)n1C[C@H]1CCCO1 17083046 DMHXXROKEIBCKU-SNVBAGLBSA-N 404.717 3.741 0 50 HHAA C[C@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)O)c2C(=O)NC2CCCC2)C1 17087442 FVNWFVJGTYFRCU-QWHCGFSZSA-N 406.548 3.985 0 50 HHAA CN1CC[C@](C)(CNC(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 20775094 NCLXFORXVHNPKV-OAQYLSRUSA-N 416.953 3.584 0 50 HHAA CCCCC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 65408162 QGFQBYCYUPYXQT-GOSISDBHSA-N 413.543 3.911 0 50 HHAA CCc1ccccc1OCCN1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91575059 LQLWYTBNHVJQQZ-OAQYLSRUSA-N 400.563 3.511 0 50 HHAA CCOc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 95496395 PNAPYGCDWNIGOR-KRWDZBQOSA-N 418.902 3.743 0 50 HHAA COc1ccc(C(=O)C[C@H](C)C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)cc1 410159323 UTBSZLBBFWZFHA-ZDUSSCGKSA-N 415.877 3.726 0 50 HHAA Cc1cc(C)n(CCC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 1704338891 JLADMGHEJYZKLO-VWLOTQADSA-N 415.541 3.854 0 50 HHAA COC[C@@H](C)[C@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1875260797 HTNHYGJXWJCJFW-NEPJUHHUSA-N 407.864 3.757 0 50 HHAA O=C(O)[C@H]1CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)Cc2ccccc21 1875302733 DXSFPXMVVICQOJ-INIZCTEOSA-N 403.360 3.939 0 50 HHAA Cc1cccn(Cc2c(F)cccc2NC(=O)NCc2nc(C)n3c2CCCC3)c1=O 2325732876 VSYOHROCNGANMD-UHFFFAOYSA-N 423.492 3.507 0 50 HHAA NS(=O)(=O)c1c(N[C@H]2CCc3c(Cl)cccc32)cccc1OC(F)(F)F 2325828367 FLQQZLIJLYATRJ-LBPRGKRZSA-N 406.813 3.985 0 50 HHAA CCc1ccc(C(=O)NC2CCC(NC(=O)[C@H](O)CC3CCCCC3)CC2)s1 2325853587 VUWFKVAZDJGHPH-FAFZWHIHSA-N 406.592 3.799 0 50 HHAA COc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c(OC)c1 783463 MRSGTJKRAJDYGL-UHFFFAOYSA-N 404.216 3.825 0 50 HHAA COc1ccc2nc(S[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3=O)nc(C)c2c1 902618 DCLXLTVHFJYGQY-IBGZPJMESA-N 407.495 3.988 0 50 HHAA COc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C 1108523 SFFQKPASINPJEP-UHFFFAOYSA-N 414.449 3.533 0 50 HHAA COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Br)cc1F 1114952 NFLMGVHNINIRMU-UHFFFAOYSA-N 413.268 3.732 0 50 HHAA COCCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)sc2c1CCCC2 2744858 IJOIIEFBUVMNPW-CYBMUJFWSA-N 421.490 3.975 0 50 HHAA COc1cc(OC)cc(C(=O)Nc2ncn(Cc3cccc(C(F)(F)F)c3)n2)c1 2799293 GFNWNAVJDJKSFB-UHFFFAOYSA-N 406.364 3.615 0 50 HHAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(Cl)c(Cl)c1 2888847 ZQFGWUUKRZRGBT-UHFFFAOYSA-N 404.271 3.590 0 50 HHAA CC(C)Cc1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)n[nH]1 11819683 MVWDADHGUKGYCJ-JOCHJYFZSA-N 406.534 3.787 0 50 HHAA Cc1cccn2cc(CNC(=O)CC[C@@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)nc12 11838544 NNSVVLWVFIWASX-QHCPKHFHSA-N 424.932 3.584 0 50 HHAA COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3ccc(Cl)s3)c2C)cc1 11840108 UIUUPIBEOADAJT-LLVKDONJSA-N 411.936 3.944 0 50 HHAA O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCC([C@@H](O)c2cccs2)CC1 12112364 WKWCRVNEIWAQNB-FAZYEBOESA-N 408.527 3.639 0 50 HHAA CCC(CC)CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1 12165490 QTUIYUGOEDPHQE-SFHVURJKSA-N 401.555 3.683 0 50 HHAA COCCN(Cc1cc(CC(C)C)[nH]n1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12302047 BQUKZNYDUAGIJH-NRFANRHFSA-N 424.633 3.936 0 50 HHAA Cc1nc2ccc(C(=O)N3CCC[C@@](CO)(CCOc4ccccc4)C3)cc2nc1C 12443825 BOGXVSFAULALOE-RUZDIDTESA-N 419.525 3.930 0 50 HHAA COc1cccc(CN2C[C@@H](C(=O)N(C)Cc3cccc4cnccc34)CCC2=O)c1 12582525 BBFBTZFMGILUJF-NRFANRHFSA-N 417.509 3.641 0 50 HHAA CC[C@H](Sc1nnc(CC(=O)Nc2ccccc2C)n1CC)C(=O)NC(C)(C)C 13956513 KLLLZYAVJRBNQP-INIZCTEOSA-N 417.579 3.573 0 50 HHAA COC[C@@H](C)NC(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C 14991124 BCNHGEOSXOPKQZ-CYBMUJFWSA-N 423.542 3.900 0 50 HHAA O=C(CSCc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19973445 MUQOHWHUOIKAAC-UHFFFAOYSA-N 418.946 3.646 0 50 HHAA Cc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 20206369 YRVFJHCJOVETFD-QFIPXVFZSA-N 406.574 3.731 0 50 HHAA Cc1cccc(-n2c(S)nc(=O)c3c(C(=O)O)cc(-c4ccccc4F)nc32)c1 20605723 TYMUDACDDWBBBC-UHFFFAOYSA-N 407.426 3.882 0 50 HHAA O=C(c1cccs1)N1CCC[C@@H](COc2ccc(CN3CCOCC3)cc2)C1 20918231 RDSJVAWKXBGPEV-LJQANCHMSA-N 400.544 3.512 0 50 HHAA COc1ccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)cc1Cl 169780973 HZTBVUWFUZNHQZ-UHFFFAOYSA-N 414.893 3.534 0 50 HHAA O[C@@H](CNCc1ccc(OCc2ccccc2)c(Br)c1)CN1CCCC1 238062831 FNDJWLALUKKUDG-IBGZPJMESA-N 419.363 3.574 0 50 HHAA C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 239305949 GFWDVHDPAHYDLP-MAGRPPHWSA-N 410.942 3.512 0 50 HHAA CN(C)Cc1cc(C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)no1 428766828 VHYXSIXQTDREAK-INIZCTEOSA-N 410.287 3.909 0 50 HHAA Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)C2)cc1 475530247 NRPAYGRLCRCQOJ-BMAACGHNSA-N 419.569 3.749 0 50 HHAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 490999253 FZDRUMFSDRRCKZ-CQSZACIVSA-N 411.531 3.739 0 50 HHAA CC(C)N1CC[C@H](C(=O)Nc2c3c(cc4c2CCC4)CCC3)[C@H](c2cnn(C)c2)C1 849593052 ANIAOFYKCWHZCJ-GOTSBHOMSA-N 406.574 3.850 0 50 HHAA O=C(c1snc(O)c1Cl)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 857495271 UIWGHWQBECCSRJ-UHFFFAOYSA-N 422.812 3.525 0 50 HHAA CN(Cc1ccc2nsnc2c1)Cc1ccccc1OCC(=O)N1CCCCC1 952989358 UAGBVBFSRVIXDK-UHFFFAOYSA-N 410.543 3.715 0 50 HHAA CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1CCCCN1C(=O)c1ccccc1 1440715580 VNMBNIYQVCUMLT-HSZRJFAPSA-N 416.525 3.585 0 50 HHAA O=C(O)[C@@]1(Cc2ccccc2)CN(c2nc(-c3ccc(F)cc3)cs2)CC[C@@H]1O 1704342489 DFHYRWBSWQJPNJ-UGKGYDQZSA-N 412.486 3.834 0 50 HHAA Cn1c(=O)c(-c2nccn2[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc2ccccc21 1857693189 MDQFGAPRRIBMQS-HXUWFJFHSA-N 412.493 3.879 0 50 HHAA C[C@H](NC(=O)c1cc2c(s1)CCOC21CCNCC1)c1nc2c(s1)CCCC2 1857693451 XKJGIOOYIRUNIU-ZDUSSCGKSA-N 417.600 3.726 0 50 HHAA C[C@@H](NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1)c1ccc(OCC(N)=O)cc1 1875262463 SRJYGDXJLJWAOP-SNVBAGLBSA-N 406.269 3.830 0 50 HHAA Cc1ccc2occ([C@H]3CC(=O)Oc4c(O)cc5c(C)cc(=O)oc5c43)c(=O)c2c1 2049252114 ZFLBVNTXJUXZCY-CYBMUJFWSA-N 404.374 3.663 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 720061 SJMCCTRJCUKKBE-JTQLQIEISA-N 412.849 3.655 0 50 HHAA O=C(Nc1ccc(F)cc1F)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 941769 AGSDWVBFPXWALK-HXUWFJFHSA-N 406.388 3.811 0 50 HHAA CCOc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 975963 IUVRYOQXKUWJTI-UHFFFAOYSA-N 416.421 3.509 0 50 HHAA CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 993260 ZLLWKXCSOZDICE-HNNXBMFYSA-N 400.862 3.897 0 50 HHAA C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1065497 ZXDAGHLGGWOZHU-JTQLQIEISA-N 406.813 3.664 0 50 HHAA CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 1112016 YRPZYWFJGKDSCI-UHFFFAOYSA-N 414.886 3.573 0 50 HHAA Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5F)CC4)ncnc32)c(C)c1 1142271 QMNLEEHRJLNXBN-UHFFFAOYSA-N 402.477 3.898 0 50 HHAA COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)NCc1ccccc1 2774086 VQIPBAKDYYNGRJ-DEDYPNTBSA-N 414.461 3.883 0 50 HHAA CCn1nc(C)c(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CC[C@@H](C)C3)c1C 2781709 MHZHRPIRLXYXKT-LLVKDONJSA-N 400.548 3.851 0 50 HHAA COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1Cl 2859581 YOFQBLRWZJWUEF-UHFFFAOYSA-N 418.906 3.884 0 50 HHAA O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N2CCCC2)cc1 4175725 IWNRYQMYUXXFJP-UHFFFAOYSA-N 416.587 3.807 0 50 HHAA CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c(OC)c1OC)CC(=O)N2 4488954 CUBXKXQMUSACMV-AWEZNQCLSA-N 401.459 3.984 0 50 HHAA COc1cc(OC)c(C2=NO[C@@H](C(=O)N3CCCc4ccccc43)C2)cc1Cl 4825457 GCAASCUGFSAQQA-HXUWFJFHSA-N 400.862 3.830 0 50 HHAA O=C(N[C@H]1CCc2ccccc21)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 11753597 BQKROUPZWGLVBP-QHCPKHFHSA-N 404.510 3.884 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)CSc2ccncc2)C1 11821116 OKPOFHACXRJEAS-HSZRJFAPSA-N 412.555 3.897 0 50 HHAA CCN(CC)C(=O)C1CCN(Cc2nc(-c3ccc(F)c(OC)c3)oc2C)CC1 11844213 CBJXMERLGDKHMH-UHFFFAOYSA-N 403.498 3.878 0 50 HHAA CCCCn1c(CN(C)Cc2[nH]c3ccccc3c2C)cnc1S(=O)(=O)CC 12299873 QCNKDZCWCHEKFZ-UHFFFAOYSA-N 402.564 3.899 0 50 HHAA Cc1ccc(-n2cc(CNCCSc3nnnn3C)c(-c3cccc(C)c3)n2)cc1 12453191 AEQCKBJAOWWMDV-UHFFFAOYSA-N 419.558 3.562 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)cc3)n2)ccc1C 16648182 CNFNVUITNNFYPL-CQSZACIVSA-N 408.433 3.516 0 50 HHAA COc1ccc(CN2CCN(CCSc3ccc(C)cc3)CC2)c(OC)c1OC 20323332 MAXODDXKVCZCAU-UHFFFAOYSA-N 416.587 3.931 0 50 HHAA CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)CC1 36576231 HBIHILGQENLYSC-NTFDOXNWSA-N 407.599 3.698 0 50 HHAA CCc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1 54225079 MGLWAUBETXIINB-UHFFFAOYSA-N 402.336 3.772 0 50 HHAA CSc1ccc(CC(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 55107736 PCDBQGLUVKCZRG-QFIPXVFZSA-N 409.599 3.764 0 50 HHAA O=C(c1ccccn1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55107960 NGFOFUIIUVICLB-IBGZPJMESA-N 418.463 3.527 0 50 HHAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NC1CCCCC1 72137380 YEEHFHPGIIUKTO-HSZRJFAPSA-N 421.541 3.618 0 50 HHAA O=C1N[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 100736348 DJBWFJHVCRDNDT-JJRVBVJISA-N 416.758 3.583 0 50 HHAA Cc1nc(C2(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Br)CCC2)no1 170615115 DTALCDULUGCUOU-VIFPVBQESA-N 414.687 3.757 0 50 HHAA CCn1ccnc1[C@H]1CCCCN1C(=O)CCn1c(S)nnc1-c1ccc(C)cc1 225489825 XJMDHCZRXIIMJX-GOSISDBHSA-N 424.574 3.903 0 50 HHAA CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)cc1 328603137 FATMBKXDRIWFTL-FCHUYYIVSA-N 418.497 3.727 0 50 HHAA COc1ccccc1OCCN(C)C(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 824828068 NMZHLLAXGODLDW-JOCHJYFZSA-N 400.494 3.899 0 50 HHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC(=O)N(c3nccs3)C2)ccc1F 1857723443 FYUPHZJIIWYWQD-ZJPYXAASSA-N 413.518 3.881 0 50 HHAA CC(C)[C@H](NC(=O)CN[C@H](C)c1cnn(C2CC2)c1)c1ccc2c(c1)OCCCO2 1875316542 YJHLQBKKJJQOIN-MWTRTKDXSA-N 412.534 3.543 0 50 HHAA COc1ccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C)cc1 805456 UAGLIOSXDVZBLO-UHFFFAOYSA-N 417.508 3.637 0 50 HHAA O=c1[nH]c(O)nc2c1sc1nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c12 971479 NEXHCRVUTDBLDF-UHFFFAOYSA-N 421.356 3.695 0 50 HHAA CC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)=O)cc3)nc2)cc1 1111750 CWXMOFRUPLLSJB-UHFFFAOYSA-N 401.422 3.991 0 50 HHAA CCCC(=O)N1CCN(c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)CC1 4121198 OUPOAHLXOBJPAE-UHFFFAOYSA-N 409.530 3.770 0 50 HHAA COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4145245 WDBMZJOPGFWNLS-SFHVURJKSA-N 418.534 3.805 0 50 HHAA CCOC(=O)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(C)cc23)CC1 6242271 ISCMRIBTAJVMDN-UHFFFAOYSA-N 404.470 3.520 0 50 HHAA CCn1c(SCC(=O)Nc2ccccc2C(N)=O)nnc1-c1cc2ccccc2o1 10681886 CRGFYKNFDBAWPS-UHFFFAOYSA-N 421.482 3.541 0 50 HHAA COc1ccc(C(=O)NC[C@@H]2Cc3cccc(-c4ncccc4C)c3O2)cc1OC 11791456 JEUAIKKBESSPSY-SFHVURJKSA-N 404.466 3.808 0 50 HHAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCc2ccccc2C)c1 12022513 UWDJMWPPECUDTN-UHFFFAOYSA-N 422.525 3.713 0 50 HHAA COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)Cc3ccccc3F)C2)c1 12154485 VICLGIXLLCGKPF-DENIHFKCSA-N 410.489 3.530 0 50 HHAA Cc1cc2nc(N3CCC(C(=O)NCC4(O)CCCCC4)CC3)nc(C)c2cc1C 12167741 NFLQZSFZAHLIBE-UHFFFAOYSA-N 410.562 3.583 0 50 HHAA O=C(NC1c2ccccc2-c2ccccc21)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 12191280 PZWKTDBTIQMIOO-QHCPKHFHSA-N 412.445 3.989 0 50 HHAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CC[C@H](c2ccccc2F)C1 12455960 WTTNDMKLKKTCAG-ZDUSSCGKSA-N 402.832 3.888 0 50 HHAA O=C(c1nc(N2CCCC2)nc2c1CCCC2)N1CCC[C@H](OCc2ccccc2)C1 12578343 VLUUMQWSHPPODN-FQEVSTJZSA-N 420.557 3.777 0 50 HHAA CCN1CCN(C(=O)CCC2CCN([C@H](C)Cc3ccc(Cl)cc3)CC2)CC1 14953705 FWEWHOXBLZOBFT-LJQANCHMSA-N 406.014 3.927 0 50 HHAA Cc1ccc(OCc2cc(C(=O)N3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)no2)cn1 15063070 RBEQIOIKIFVGJQ-FQEVSTJZSA-N 421.432 3.950 0 50 HHAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1 15063598 MLRWHIWOXVKHMI-DEOSSOPVSA-N 412.505 3.977 0 50 HHAA CCN(Cc1nccn1C)C(=O)c1cc(-c2cnc(C)nc2)nc2ccc(C)cc12 63872463 MXBPZTYLNBRGCF-UHFFFAOYSA-N 400.486 3.704 0 50 HHAA CCc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1 65365520 KPHIKRKYWVBTIN-UHFFFAOYSA-N 408.550 3.692 0 50 HHAA Cc1cccc(-c2nc3cc4c(cc3cc2CN2C[C@H](O)[C@@H](N(C)C)C2)CCC4)c1 72425748 KUHUXJJIBUIDIG-DQEYMECFSA-N 401.554 3.806 0 50 HHAA Cc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccc([Si](C)(C)C)cc1 169817119 PZTUUNOLKABFDM-UHFFFAOYSA-N 422.720 3.918 0 50 HHAA COc1ccc(NC(=O)C(F)(F)C2(O)CCCCC2)cc1OCc1cccnc1 225471975 DCWHNHJHUYPSRG-UHFFFAOYSA-N 406.429 3.938 0 50 HHAA CN(C)CCN(C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Cl)c1Cl 225616532 MJPQPMIVVXTXMT-OAHLLOKOSA-N 412.361 3.537 0 50 HHAA Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2nccs2)C1 229821176 JHUJEIXNUPPYLQ-ZIAGYGMSSA-N 406.939 3.783 0 50 HHAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 239309704 HTTMRQODSNCUML-NUJGCVRESA-N 423.538 3.691 0 50 HHAA O=C(Cn1cnc2ccccc21)N(Cc1cccc(OC[C@@H]2CCOC2)c1)C1CC1 299759922 PCHMTSJTGFOSAI-LJQANCHMSA-N 405.498 3.643 0 50 HHAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1nncn1C1CCCCC1)O2 825116713 KNCGPXNCOXSEEU-HSZRJFAPSA-N 412.534 3.814 0 50 HHAA CCCOc1ccc(CN2CCc3c(-c4ccccc4)nn(C)c3CC2)cc1CO 1857667784 YWNCWUXGNDAENL-UHFFFAOYSA-N 405.542 3.969 0 50 HHAA Cc1ccc(C(F)(F)CNc2ncnc3c2NC(=O)CS3)c(Br)c1 1875341596 ZKTDSGWUWJXRSI-UHFFFAOYSA-N 415.263 3.796 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cccnc4C)C3)[C@@H]3CCCCN23)c1 2356145775 WINWKLLACNIDKG-QKYMMTCKSA-N 419.569 3.956 0 50 HHAA Cc1cc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCc3ccsc34)o2)on1 2356159506 DSIUMWKHTOLYAU-UHFFFAOYSA-N 420.512 3.557 0 50 HHAA CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1 809786 ZLMNDASMMFAVDA-UHFFFAOYSA-N 422.312 3.679 0 50 HHAA CCOC(=O)c1c(N[C@@H](NC(C)=O)C(Cl)(Cl)Cl)sc(C(C)=O)c1C 822190 NWVMWSMKCZZQFW-CYBMUJFWSA-N 415.726 3.680 0 50 HHAA Cc1cccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2)c1C 912616 VODSHUQQPXSYGG-UHFFFAOYSA-N 400.544 3.901 0 50 HHAA CC(=O)Nc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1 1123574 KVLBPIDAWDSAKE-SFHVURJKSA-N 414.918 3.730 0 50 HHAA CC(C)Oc1ccc(/C=C/C(=O)Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)cc1 6389245 NPPHLZOGPKQLRV-FMIVXFBMSA-N 408.483 3.934 0 50 HHAA Cn1c(SCC(=O)Nc2nnc(C3CCCCC3)s2)nnc1-c1cccnc1 6699951 BMAQEEWLVXMDHB-UHFFFAOYSA-N 415.548 3.507 0 50 HHAA O=C(NC[C@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)c1ccccc1-n1cccn1 11995725 PADHJQXKMYIMMH-LJQANCHMSA-N 414.440 3.807 0 50 HHAA COc1cccc(C[C@@]2(CO)CCCN(C(=O)c3ccc4c(c3)CCCN4C)C2)c1 12434709 WANYILLXBHQAFE-VWLOTQADSA-N 408.542 3.535 0 50 HHAA CCOc1ccc(Nc2nc([C@]3(C)C[C@]4(C[C@@H](C)OC4=O)C(=O)O3)cs2)cc1 12664197 WRSQOWMVQOLIQH-CFGAKRJMSA-N 402.472 3.769 0 50 HHAA biogenic Cc1ccccc1NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C 16448355 ZRVGRLJPKGKCBK-UHFFFAOYSA-N 418.316 3.735 0 50 HHAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)c(OC)c1 16972540 WAYMCUKYQGOMOK-HXUWFJFHSA-N 411.527 3.752 0 50 HHAA Cc1cccc2cc(CN(CCN(C)C)C(=O)c3cccc(F)c3)c(N(C)C)nc12 20784718 DHLPJAGNUMYVFU-UHFFFAOYSA-N 408.521 3.952 0 50 HHAA Clc1ccccc1[C@@H]1Cn2nnc(-c3noc(COc4ccccc4)n3)c2CO1 169769172 PZRRKYJZJUGIJG-KRWDZBQOSA-N 409.833 3.832 0 50 HHAA O=C1[C@H]2[C@@H](c3cccnc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 229982895 TVDUNKYDUZOHKX-XUVXKRRUSA-N 405.841 3.786 0 50 HHAA CN(C(=O)/C=C/c1ccc(N2CCCC2=O)cc1)C1CCN(c2ccccc2)CC1 253421742 MNOQBRLXIBBADO-SDNWHVSQSA-N 403.526 3.954 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)NCC[C@@H]2CC[C@@H](N)C2)C1 952891800 CICOXSGHYDCVRT-FUHWJXTLSA-N 413.541 3.623 0 50 HHAA CCc1cc(C(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)cc(O)n1 952892690 IUJDDJNLNHAOSZ-UHFFFAOYSA-N 408.477 3.899 0 50 HHAA CCc1oc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)cc1CN1CCCC1 952972963 JOZJNRXDHCUIAX-UHFFFAOYSA-N 400.523 3.964 0 50 HHAA O=C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1cc(Br)ccc1Cl 1319582433 GDHZZBJLBANXDF-UHFFFAOYSA-N 423.115 3.804 0 50 HHAA CN(Cc1cc(Cl)ccc1OCCCn1ccnc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704353824 MQBIIRAFKPESAT-ALFLXDJESA-N 403.954 3.987 0 50 HHAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cccc(Cl)c1)C2 1857691029 XWBYGWLNHSARGZ-KJXAQDMKSA-N 420.981 3.596 0 50 HHAA CCc1nc(N2C[C@@H]3[C@H](CNC(=O)c4sccc4C)[C@H]4CC[C@]3(C2)O4)ccc1C 1875251379 DDGZOMBWDGYWNG-UVELEOGVSA-N 411.571 3.736 0 50 HHAA CNc1cc(N2CCC[C@@H]2CN=c2nc(-c3cccs3)[nH]c3ccccc23)ncn1 1875334431 NSJADFFXNKAJMN-OAHLLOKOSA-N 417.542 3.693 0 50 HHAA CSCCCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1coc(C2CCCCC2)n1 2325872056 GJOOSAOIYYWSJW-VDZJLULYSA-N 405.564 3.585 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cccc4cnccc34)CC1)OCC2 2356152676 VNTDBXDNYAJRHG-UHFFFAOYSA-N 418.493 3.956 0 50 HHAA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 713363 TXBRINCVVPQLTF-OAHLLOKOSA-N 418.371 3.733 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)nc(C)n1 780116 NCDYDFMITDCUDD-UHFFFAOYSA-N 422.466 3.893 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1 1111275 CRWBIIBWIPHIBY-UHFFFAOYSA-N 412.496 3.822 0 50 HHAA CCOC(=O)c1c(NC(C)=O)n(CCc2ccccc2)c2nc3ccccc3nc12 1176802 AYEWMSCRROILLC-UHFFFAOYSA-N 402.454 3.962 0 50 HHAA CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 1231801 WXMCSYGIEMTDMJ-AYIBLLACSA-N 407.469 3.822 0 50 HHAA C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 2124358 FRBSRWBRSIOSQL-CQSZACIVSA-N 407.422 3.502 0 50 HHAA biogenic Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 2843467 DBSOEPBQJRZNNQ-UHFFFAOYSA-N 422.572 3.587 0 50 HHAA CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCCOc1cccc(OC)c1 3854448 UOMODCRGSMXZRP-UNOMPAQXSA-N 414.483 3.690 0 50 HHAA CCOC(=O)C[C@H](NC(=O)c1cc2cc(OC)ccc2oc1=O)c1ccc(C)cc1 4594021 ZODCLRBVWQMNSR-IBGZPJMESA-N 409.438 3.534 0 50 HHAA COc1ccc(CN2CCC(N3CCN(c4ccccc4F)CC3)CC2)c(OC)c1 4712136 IWTFDKQZJRIGIC-UHFFFAOYSA-N 413.537 3.630 0 50 HHAA C=COCCCCOC(=O)NCCCCCCNC(=O)OCCCCOC=C 4979238 SQPFTUPRJYKNIL-UHFFFAOYSA-N 400.516 3.880 0 50 HHAA O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccn2)CC1 5060109 GAXFRDJCIUIVPY-UHFFFAOYSA-N 400.693 3.769 0 50 HHAA CCOc1ccccc1-n1c(CSCc2ccccc2)nnc1SCC(N)=O 5949612 BBJHCYJOOJTXBA-UHFFFAOYSA-N 414.556 3.677 0 50 HHAA OCC1(C[C@H]2CCCCO2)CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 11775526 ALMYGAADXBDJAR-GOSISDBHSA-N 405.926 3.924 0 50 HHAA O=C(NCc1ccccc1)[C@@H]1CC12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 11971710 QUBGAYBDIWMUOU-SFHVURJKSA-N 412.917 3.987 0 50 HHAA Cc1ccn(CCC(=O)NC[C@H]2Cc3c(ccc4cc(-c5cccnc5)ccc34)O2)n1 11996171 HNYUSZKCZAHUTF-OAQYLSRUSA-N 412.493 3.917 0 50 HHAA Nc1nonc1NC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N 12376943 NAWNHTDFQJPASY-UHFFFAOYSA-N 420.376 3.782 0 50 HHAA CC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)s1 12381789 VDATYALKCDMSOX-UHFFFAOYSA-N 406.939 3.980 0 50 HHAA Cc1ccc(CN2C[C@@H]3C[C@@H](c4cnc(N5CCCC5)s4)N4CCC[C@@]34C2=O)o1 14953077 OCAVPAAYJNFKQI-ZJBJCVSYSA-N 412.559 3.583 0 50 HHAA O=C1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CCN1Cc1ccccc1Cl 14993699 KFLBZKNVDQUPLW-UHFFFAOYSA-N 412.896 3.899 0 50 HHAA Cc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1 14996700 SVFMORRGCMIXQU-FQEVSTJZSA-N 421.545 3.755 0 50 HHAA Cn1nc(C(=O)Nc2ccc3c(c2)CCC3)cc1C(=O)Nc1ccc2c(c1)CCC2 20616662 WZSBYWYKTUSGNY-UHFFFAOYSA-N 400.482 3.902 0 50 HHAA Cc1cccc(-c2ncc(CN3CCN(Cc4ccccc4C)[C@@H](CCO)C3)cn2)c1 23358043 PHGLOOLLTQJPKE-VWLOTQADSA-N 416.569 3.829 0 50 HHAA Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)CC1 55309207 HJAPBHYOOXOINI-QHCPKHFHSA-N 409.549 3.880 0 50 HHAA CCNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21 72190293 AAAQFGUYHFJNHI-GOSISDBHSA-N 423.904 3.656 0 50 HHAA in-vitro C[C@@H](CN1CC2(CCN(C(=O)CCc3cccnc3)CC2)OC1=O)c1ccccc1 77455439 YZCCIBMAHSBTJJ-IBGZPJMESA-N 407.514 3.631 0 50 HHAA COc1ccc(CN2C(=O)O[C@H]3CN(Cc4ccc(Cl)s4)C[C@H]32)cc1OC 208907569 MQFYWDHTWIBNFV-PBHICJAKSA-N 408.907 3.624 0 50 HHAA O=C(c1cc(-c2ccncc2)nc2ccccc12)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225416524 GWXXCPFWNKFKOV-MJGOQNOKSA-N 422.488 3.718 0 50 HHAA biogenic CSCC[C@H](CO)NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 252495071 OMBYQWVSGSHPHJ-UKRRQHHQSA-N 406.375 3.735 0 50 HHAA Cc1cc(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)nc(C)n1 1857702107 AEZXVBDUSPSTHS-JOCHJYFZSA-N 422.573 3.805 0 50 HHAA O=C(Nc1cccc(C(=O)N=c2cc(-c3cc4ccccc4o3)[nH][nH]2)c1)NC1CC1 1875258649 MXGJGPUUJAVEOK-UHFFFAOYSA-N 401.426 3.781 0 50 HHAA CCc1c(-c2csc(N3CCN(Cc4n[nH]cc4C)CC3)n2)[nH]c(C)c1C(C)=O 1875372701 KYSDHKMDVDJLFP-UHFFFAOYSA-N 412.563 3.565 0 50 HHAA Cn1ncc(C(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)c1Cc1ccccc1 2325840828 SDZZBNBUTHSELC-JRGCBEDISA-N 422.326 3.842 0 50 HHAA COc1cccc2ccc(CN3CCC[C@]34CCCN([C@H]3CC[C@H](O)CC3)C4=O)nc12 2356165174 WZYOHUNFQBOCDN-DNRQZRRGSA-N 423.557 3.504 0 50 HHAA CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]12 1156078 ALOBHKZKIFYQSA-LMGFAJPXSA-N 409.441 3.956 0 50 HHAA COc1cc(OC)cc(C(=O)NC[C@H]2Cc3cccc(-c4nc(C)cnc4C)c3O2)c1 11880670 PZRPZPYEGBDARO-HXUWFJFHSA-N 419.481 3.511 0 50 HHAA O=C(NC[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1)c1n[nH]c2ccccc12 11936222 YHEORAJPLVHXGC-HNNXBMFYSA-N 409.559 3.540 0 50 HHAA CC1(C)C[C@@H](NC(=O)CCc2nnc(Cc3cccc(C(F)(F)F)c3)o2)CCO1 12029138 NPBVZYYVDQCWDH-HNNXBMFYSA-N 411.424 3.686 0 50 HHAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 12298197 TZSKLWRNYKQJCG-OAHLLOKOSA-N 400.486 3.747 0 50 HHAA Cc1cc(C(=O)N(C)C[C@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)n(C)n1 12315355 PGUJTFXPDKANJZ-GOSISDBHSA-N 422.495 3.774 0 50 HHAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)c3scnc3C)C2)cc(OC)c1 12373548 RFRXWUVHBVPENC-OAHLLOKOSA-N 417.531 3.740 0 50 HHAA COc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)o1 13595906 KUCKIBCIVFKLSR-CQSZACIVSA-N 406.429 3.515 0 50 HHAA Cc1cc(CN[C@@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 14998350 GRVSHRHBDCZMCJ-QGZVFWFLSA-N 420.538 3.644 0 50 HHAA Fc1ccc(CN2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cc1 22752004 MTNLIZHUECPXFR-UHFFFAOYSA-N 411.502 3.996 0 50 HHAA c1ccc(-c2n[nH]cc2CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 23374980 IFWUGSJUQPQBIB-XMMPIXPASA-N 401.558 3.863 0 50 HHAA CCC(C)(C)C(=O)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 39404073 KYRDYXGGZHTGAF-UHFFFAOYSA-N 405.970 3.663 0 50 HHAA O=C([C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCC2(CCCC2)C1 82096861 WUVAGZCQZBCYTP-QFIPXVFZSA-N 410.606 3.551 0 50 HHAA COc1cc(Cl)ccc1C(=O)N[C@H]1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169754144 UORNHXOJSAORQK-INIZCTEOSA-N 414.868 3.887 0 50 HHAA Cc1ccccc1C(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777554 RHFLPNYVQJUHHG-UHFFFAOYSA-N 414.469 3.781 0 50 HHAA CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(C(c3ccccc3)c3ccccc3)C[C@@]23C=C[C@H]1O3 226888433 QPNGJIVJKYBPSE-BILGYAHESA-N 417.505 3.901 0 50 HHAA C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H]1C[C@H]2CC[C@H]1C2 242339312 ZGTGFSZBHNEKPB-XYCGUBGESA-N 416.521 3.835 0 50 HHAA Cc1ccc(F)cc1C1(c2noc(C(=O)N3CCN(c4ccccc4)CC3)n2)CC1 463057206 TVLPFZMEKJDJAV-UHFFFAOYSA-N 406.461 3.559 0 50 HHAA CCc1ccc(CN2C[C@H](C(=O)Nc3cccc(CN4CCCC4)c3)CC2=O)cc1 823517660 WJTPYSBUNHYCOU-JOCHJYFZSA-N 405.542 3.832 0 50 HHAA CCn1cc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)c(=O)c2ccc(C)nc21 952963784 KHKCTGTXNJRWEA-MRXNPFEDSA-N 407.470 3.535 0 50 HHAA Cc1csc([C@H](C)CNC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)n1 952990447 QKBBOYNAEUWAMV-OAHLLOKOSA-N 418.522 3.748 0 50 HHAA COc1cccc(OC[C@H](O)Cn2ccnc2-c2cc3cccc(C)c3nc2O)c1 1857685815 VKISUOBGDPFXSL-QGZVFWFLSA-N 405.454 3.561 0 50 HHAA Cc1ccccc1-c1ncc(-c2nccn2Cc2ccc(S(N)(=O)=O)cc2)s1 1857699569 TZXOHEOPEBUAEN-UHFFFAOYSA-N 410.524 3.678 0 50 HHAA O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 2325720755 WQEHYWDGSIEGSN-UHFFFAOYSA-N 409.409 3.836 0 50 HHAA COC(=O)c1ccccc1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2CCC(C)C 2356154889 OGXHPBLVZAIJFJ-FGSXEWAUSA-N 422.525 3.872 0 50 HHAA CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 656578 XVKYCCCVXPODLM-UHFFFAOYSA-N 412.861 3.527 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c1 799793 HLOPRHTZBRLBOE-SFHVURJKSA-N 417.918 3.789 0 50 HHAA CCOC(=O)c1ccccc1NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 950778 SRZOYEPOVFCAJM-MRXNPFEDSA-N 404.875 3.958 0 50 HHAA O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21 2565872 JZSULZSNDXGGHP-GOTSBHOMSA-N 417.461 3.582 0 50 HHAA in-vitro CCc1cc(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)n(C)n1 11663018 PQOOQHWBYLSZLM-MRXNPFEDSA-N 400.498 3.701 0 50 HHAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)c2ccc[n+]([O-])c2)C1 11874350 TUHITRLASYPNNK-LJQANCHMSA-N 404.441 3.861 0 50 HHAA COCc1c(C(=O)NC2CCCC2)cnn1-c1nccc(-c2cc(C)sc2C)n1 12128913 FTQDTIQSERDGIB-UHFFFAOYSA-N 411.531 3.826 0 50 HHAA CCN(CC)CC(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 12301035 YFHWTONKKSARMK-UHFFFAOYSA-N 402.542 3.816 0 50 HHAA COc1ccc(-c2noc(CN3CCCC[C@H]3c3ccccn3)n2)c(OC)c1OC 12304633 AUGNOFRCZZDEFV-KRWDZBQOSA-N 410.474 3.885 0 50 HHAA CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](c2cccnc2)n2ncnc2N1 12384922 HYNQKDAFMVSVNP-MRXNPFEDSA-N 401.257 3.908 0 50 HHAA O=C(CCC1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1)NCc1cccnc1 12448244 SZGNFWLIXZBORV-UHFFFAOYSA-N 417.912 3.752 0 50 HHAA CSCCCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C 12454749 IHLFXTHWERMVGW-UHFFFAOYSA-N 407.543 3.609 0 50 HHAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3cnn(C)c3)C2)cc1 12465512 SHXZBFQZOYUPKN-FQEVSTJZSA-N 404.514 3.946 0 50 HHAA Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 13483478 CRDLRALNYVFOLY-UHFFFAOYSA-N 406.417 3.530 0 50 HHAA CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)CCN2CCCCO2)C1 14976217 MINQBZIVXXDZCC-JIWMQAFSSA-N 414.546 3.679 0 50 HHAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2cnc(SC)nc2)C1 15068833 VXVMWRDRPMYTAV-JOCHJYFZSA-N 415.559 3.813 0 50 HHAA CN1CCN(C(=O)c2cc(COc3c(F)cccc3F)on2)C[C@@H]1c1ccccc1 20206839 QMGOQBMPMWYBNH-HXUWFJFHSA-N 413.424 3.661 0 50 HHAA CCOc1ccccc1-c1noc(-c2nnn3c2CO[C@H](c2cccc(OC)c2)C3)n1 169758460 UZHZTVFPXDELDT-IBGZPJMESA-N 419.441 3.674 0 50 HHAA COc1ccc(C(F)(F)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)cc1 225440801 FTWALAGXIMSAEZ-SFHVURJKSA-N 406.498 3.521 0 50 HHAA Cc1cccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)CC2)c1 239338805 LGRAPDBAHASXHP-VCGFRXSMSA-N 404.510 3.545 0 50 HHAA COc1cc(C(=O)Nc2cnc3c(Br)cccn23)ccc1OC(F)F 241383261 MTSIFWCBYPUTTJ-UHFFFAOYSA-N 412.190 3.959 0 50 HHAA C[C@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc(C[C@H]2CCCC2=O)cc1 252536709 JFSPMRQRQOMWKL-GWWHBBDRSA-N 418.537 3.509 0 50 HHAA Cc1ccc([C@H]2COCCN2C(=O)c2c(C)nc3ccc(Br)cn23)o1 476047699 HBOFVJNFSLDFMQ-CQSZACIVSA-N 404.264 3.520 0 50 HHAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 735802191 ZLTCZHPXJPNYDL-QLHLHSACSA-N 419.525 3.786 0 50 HHAA Cc1ccc(N2CCOC2=O)cc1NCc1nnnn1-c1ccc(C(F)(F)F)cc1 743064972 VWGYWBGICYVEDS-UHFFFAOYSA-N 418.379 3.558 0 50 HHAA COc1ccc([C@H](CC(=O)NCCCc2ccco2)c2cc3c(cc2O)OCO3)cc1 824654632 OQCDNGPDVKAWCC-IBGZPJMESA-N 423.465 3.994 0 50 HHAA biogenic Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(CN(C)C)cc1 952973092 XIQGMZVAHFAUEJ-LJQANCHMSA-N 414.531 3.566 0 50 HHAA Cc1ccc(NC(=O)CC(C)C)cc1NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 952979615 NVYQQDZIILEISY-UHFFFAOYSA-N 423.513 3.704 0 50 HHAA O=C(c1ccccc1-n1cccn1)N1CCCN([C@H]2CCc3ccccc3C2)CC1 1772815230 MDHMACIYZDILQA-QFIPXVFZSA-N 400.526 3.578 0 50 HHAA CSc1n[nH]c(=NC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)s1 1875328615 BYNXDNQURWXOOD-UHFFFAOYSA-N 413.739 3.843 0 50 HHAA Cn1cc([C@@H]2CCN(CCC(=O)Nc3ccc4nc(O)[nH]c4c3)C2)c2ccccc21 2325739594 WRXSRTRBLAUVRL-OAHLLOKOSA-N 403.486 3.578 0 50 HHAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 852979 ILTRTMJZTCJZLY-NRFANRHFSA-N 402.454 3.730 0 50 HHAA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)c1OC 867227 PLIFAJAUALGSDM-GOSISDBHSA-N 415.877 3.932 0 50 HHAA Cc1ccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c(Br)c1 1003213 MTGVMFWQTHGEQR-UHFFFAOYSA-N 401.717 3.580 0 50 HHAA CCOC(=O)Cc1nnc(NC(=O)[C@H](CC)Sc2nc3ccccc3s2)s1 2492105 YDGYOLCXHCJWKB-NSHDSACASA-N 422.557 3.763 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1F 2982565 AQDKLLFRHBQDMN-UHFFFAOYSA-N 424.803 3.903 0 50 HHAA CSc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3F)CC2)cc1 5050077 ACLPGRMEXAUBOL-UHFFFAOYSA-N 402.539 3.881 0 50 HHAA OCC1(C[C@@H]2CCCCO2)CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 11775520 ALMYGAADXBDJAR-SFHVURJKSA-N 405.926 3.924 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)N[C@H](C)c2ccc(F)cc2)c1=O 11968035 HLVQYYBYHOSCLW-MRXNPFEDSA-N 415.509 3.787 0 50 HHAA COc1ccccc1CCN1CCC(CN(C)C(=O)c2ccccc2N(C)C)CC1 12320823 JWGYDRMXHOGXCW-UHFFFAOYSA-N 409.574 3.788 0 50 HHAA COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1OC1CCN(C(C)=O)CC1 12385923 HBKAYVVGCMZETN-UHFFFAOYSA-N 416.905 3.668 0 50 HHAA Cc1noc(C)c1CC(=O)NCCN1Cc2ccccc2O[C@H](c2ccsc2)C1 15002658 RDMDBQXBEXTDJE-NRFANRHFSA-N 411.527 3.648 0 50 HHAA CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](C)Oc1ccc(OC)cc1 17091899 GUOTWXZGVIXPKK-LBPRGKRZSA-N 419.532 3.634 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c(OC)c1 19832135 UWGWOIWDQKYYMG-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA c1ccc(CCCN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 23359075 GAAXCNYMVQFBCH-XMMPIXPASA-N 421.585 3.630 0 50 HHAA CC(C)CC(=O)Nc1ccnn1C1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 23360024 RDAVNICYOINASS-JOCHJYFZSA-N 409.578 3.779 0 50 HHAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)n2)c(F)c1 49551707 IRRXTXUXQLLCAR-UHFFFAOYSA-N 421.350 3.716 0 50 HHAA O=C(Nc1cccc(OC[C@H]2CCCO2)c1)Nc1ccn(CCc2ccncc2)n1 170644017 KYBZBWANPOBXBR-HXUWFJFHSA-N 407.474 3.723 0 50 HHAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252516376 SGWBLBLPDDZRPY-PBXWNFIWSA-N 400.288 3.627 0 50 HHAA CN(c1ncnc2ccc(S(C)(=O)=O)cc12)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 253427301 PZPBEMPBKLRILC-PMACEKPBSA-N 411.527 3.716 0 50 HHAA O=C(NCc1ccccc1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1 299845042 FULGJPNHMAABCL-WGSAOQKQSA-N 415.497 3.528 0 50 HHAA COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H](C)CCOc1ccccc1 427073927 TTWHNVIQFZWESO-QVKFZJNVSA-N 412.461 3.613 0 50 HHAA O=C(Cc1coc2cc(F)ccc12)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 470233850 MDXOJGDZNFPIDO-LJQANCHMSA-N 416.399 3.700 0 50 HHAA NC(=O)c1ccc(NC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1F 732432530 LECXJPQVPAYBJJ-SFHVURJKSA-N 405.857 3.556 0 50 HHAA C[C@H](NC(=O)N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(-c2ccncc2)cc1 754664408 VLMDZWUUQUNHAS-IMRHEYAYSA-N 405.498 3.593 0 50 HHAA COc1ccccc1-c1ccnc(C2CCN(C(=O)[C@H]3C[C@@H]4CCCCN4C3)CC2)n1 952893897 ONQRFVVPHFNAHQ-PMACEKPBSA-N 420.557 3.733 0 50 HHAA Cc1cc(/C=C/C(=O)NCCC(=O)NCc2ccncc2)c(C)n1C1CCCCC1 1875252265 MWXZLUIOPFJHLD-CMDGGOBGSA-N 408.546 3.841 0 50 HHAA COc1ccccc1C(=O)NCC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 1875255759 ASZKZRWMAOWJMW-UHFFFAOYSA-N 410.499 3.706 0 50 HHAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 636658 OQJWYQZCIUTRAV-UHFFFAOYSA-N 408.470 3.927 0 50 HHAA O=C(C1CCN(C[C@H]2CC=CCC2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 795505 RJWUKQZQIJQCMM-SZIFGRNDSA-N 407.602 3.912 0 50 HHAA CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1cccs1 1077420 IBRZASMNOXKDGG-UHFFFAOYSA-N 404.517 3.775 0 50 HHAA CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 1106261 FBVDJOMAPPUZSG-UHFFFAOYSA-N 406.866 3.892 0 50 HHAA CCc1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 1151445 VZNSDCFZUSANOX-UHFFFAOYSA-N 401.315 3.961 0 50 HHAA CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc(C(=O)OC)c1C 1156351 STRJSGCROHZVRV-UHFFFAOYSA-N 411.863 3.934 0 50 HHAA Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1157976 PULVLXGTYBPJMQ-UHFFFAOYSA-N 410.898 3.827 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)Cc2ccccc2F)cc1 1160775 RGGLNHBGQFNARU-UHFFFAOYSA-N 418.534 3.584 0 50 HHAA CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 1161489 FVSHWRXQDXGEMD-AWEZNQCLSA-N 410.923 3.840 0 50 HHAA CS(=O)(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 2412371 MOEZLUSTUGJVNR-UHFFFAOYSA-N 411.229 3.686 0 50 HHAA biogenic Cc1ccc(S(=O)(=O)Nc2cnn(COc3ccc(Br)cc3)c2)cc1 2804339 BOTYEOVNUJFEQJ-UHFFFAOYSA-N 422.304 3.791 0 50 HHAA c1ccc2c(c1)CC(N1CCC(CN(Cc3ccncc3)C[C@H]3CCCO3)CC1)C2 11938490 RUUAFROVJDGKFT-AREMUKBSSA-N 405.586 3.942 0 50 HHAA O=C(NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)c1ccccc1-n1cccn1 11995724 PADHJQXKMYIMMH-IBGZPJMESA-N 414.440 3.807 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)CCc2c(C)noc2C)C1 12030454 AXOSGHKJKLYGQU-DEOSSOPVSA-N 412.530 3.947 0 50 HHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccc(COC)o2)CC1 12592383 MCVCFTPZHJHVNR-UHFFFAOYSA-N 401.503 3.823 0 50 HHAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)c3[nH]c(C)cc3C)C2)cc(OC)c1 12835074 YQWLLVNRXBKWNQ-QGZVFWFLSA-N 413.518 3.920 0 50 HHAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(C3Cc4ccccc4C3)CC2)c1 14955625 AQDWZCLSXDASMU-UHFFFAOYSA-N 406.526 3.598 0 50 HHAA COc1cc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1F 19841070 KFUBOLGRZBKLLL-NRFANRHFSA-N 401.501 3.760 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc(SC)c3)C[C@@H]2CCO)cc1C 22852439 LRRUWWLUROCTBF-NRFANRHFSA-N 400.588 3.794 0 50 HHAA O=C1N(Cc2ccccc2)C(c2ccccc2)=N[C@]1(Nc1ncccn1)C(F)(F)F 40267625 HHZQABCGNKLLEA-HXUWFJFHSA-N 411.387 3.636 0 50 HHAA Cc1nc(CN(C)C(=O)Cc2c3c(n(CC(C)C)c2C)CC(C)(C)CC3=O)no1 95502549 GIKHFCJJUDXPKO-UHFFFAOYSA-N 400.523 3.500 0 50 HHAA O=C1C[C@H]([C@H]2CCCC=C2N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 100789895 KOJFHACVEAYTSQ-IAGOWNOFSA-N 408.420 3.601 0 50 HHAA COc1ccc(CN2CCN(Cc3nc(C(C)C)cs3)C[C@H]2CCO)c(C)c1C 104327334 VZNFOSGCHUFNHX-HXUWFJFHSA-N 417.619 3.961 0 50 HHAA Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@H]1CCCN(Cc2ncccn2)C1 225855581 GLROCUGBRALKCZ-HNNXBMFYSA-N 412.877 3.915 0 50 HHAA C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CC[C@H]3CCCC[C@H]3C2)C1=O 239415205 TZMKODGHOSFECE-VDABOFBKSA-N 419.525 3.646 0 50 HHAA CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](C(=O)O)[C@H](C)CC)ccc12 253483615 DJTNPIMWQHAAEA-WAWZGNHOSA-N 417.502 3.827 0 50 HHAA O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 426580421 QTHXQYCPBXLXQL-VSKRKVRLSA-N 413.525 3.947 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4cscn4)csc3C2)nc1 426661393 WCLPQSVNQVRGQU-UHFFFAOYSA-N 412.584 3.993 0 50 HHAA Cc1nc(-c2ccc(S(=O)(=O)NC3CCN(C4CCCCC4)CC3)cc2)co1 474221743 URPLMZZTDAEQNF-UHFFFAOYSA-N 403.548 3.725 0 50 HHAA O=C(NCCCn1ccc2ccccc21)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 670444030 ADNUIJAFGLTCJT-LHHMWQFHSA-N 403.530 3.735 0 50 HHAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3cc(-c4cccnc4)nc4ccccc34)C[C@@H]2CC1=O 1529119382 GDKHIQBDWZQDIW-CEXWTWQISA-N 414.509 3.626 0 50 HHAA O=C(Nc1nnc(-c2ccc(I)o2)s1)c1ccccc1F 1857799765 ZXCCHRZDZRIBFW-UHFFFAOYSA-N 415.187 3.794 0 50 HHAA C=CC(=O)N1CCCc2cc(C(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)ccc21 1875371553 FRDGTNKQJKYYEN-OAQYLSRUSA-N 412.436 3.644 0 50 HHAA COCc1nn(C)cc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 2325722484 HQPMERGRZNDDNZ-UHFFFAOYSA-N 403.438 3.901 0 50 HHAA COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1cnc2ccnn2c1C 2325819454 FQDGZAVXCHKZCQ-INIZCTEOSA-N 415.291 3.786 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1 817200 GVKPDIRMIPMTBY-HNNXBMFYSA-N 418.515 3.519 0 50 HHAA COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1OC 1183394 NMVGYRGROMUULB-WQRHYEAKSA-N 412.467 3.687 0 50 HHAA O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1196381 DXSZRFFITZWGEN-UHFFFAOYSA-N 414.314 3.815 0 50 HHAA CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@@H]1c1ccc(Cl)cc1 1423135 RZKLLIROISQQJH-LJQANCHMSA-N 410.861 3.561 0 50 HHAA COc1cc(C=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 2953791 DTCZUXZGYCJQMR-UHFFFAOYSA-N 405.653 3.691 0 50 HHAA Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 11873385 KHUNRGJSTUWMTJ-FQEVSTJZSA-N 411.926 3.793 0 50 HHAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 11933465 LETIGSQVNGVBSI-SFHVURJKSA-N 421.472 3.814 0 50 HHAA C[C@H](Cc1ccccc1F)N1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 12457103 SEFFOPUJLQTDRQ-OAHLLOKOSA-N 418.896 3.873 0 50 HHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)[C@H]1CCCCN1C(=O)OCc1ccccc1 12648370 KIHDUTMNOVGCPQ-DLBZAZTESA-N 406.479 3.546 0 50 HHAA O=C1N[C@H](c2ccccc2F)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 13583944 KHYAUCQBMIYWPD-CKEIUWERSA-N 416.758 3.583 0 50 HHAA O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 15075513 UZZPOUHTCIIPMH-INIZCTEOSA-N 420.904 3.876 0 50 HHAA C[C@@H](NCc1cn(C)nc1-c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)no1 20600410 GXDRTEMKMJDMJL-OAHLLOKOSA-N 417.469 3.759 0 50 HHAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 21795137 ZBOCLKZODPCHFK-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA CCOc1ccc(CN2CCN(Cc3nc4ccccc4n3CC)C[C@H]2CCO)cc1 39518815 NXDINHMSNPDROX-OAQYLSRUSA-N 422.573 3.524 0 50 HHAA C[C@@H](CCCC(C)(C)O)NC(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 39552681 MBRASKNPMGVTRF-SFHVURJKSA-N 406.530 3.975 0 50 HHAA Cc1c(-c2ccnc(N3CCCC3)n2)cnc2nc(SCc3ccccc3)nn12 54202072 YOLZIPCIPSPIFD-UHFFFAOYSA-N 403.515 3.782 0 50 HHAA Cc1c(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 55090102 IADGHCZGELKRJR-UHFFFAOYSA-N 405.477 3.646 0 50 HHAA Cc1nc(C)c(CC(=O)NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)c(=O)[nH]1 77408248 NDOJVOQPARWIGL-UHFFFAOYSA-N 418.472 3.841 0 50 HHAA O=C1CCC2(CCN(c3noc(-c4ccccc4)n3)CC2)CN1Cc1cccnc1 91906323 LZFCQGBMTDCHAS-UHFFFAOYSA-N 403.486 3.541 0 50 HHAA Cn1c(=O)cc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c2ccccc21 109518810 SKPVZIZOTFUFDR-UHFFFAOYSA-N 422.488 3.867 0 50 HHAA O=C(COc1ccccc1)N[C@@H]1CCCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 169780770 JUBXBGUMUGWPRE-GOSISDBHSA-N 410.905 3.894 0 50 HHAA COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 229428135 BUIGRYTWMJQJQY-FRQCXROJSA-N 418.559 3.531 0 50 HHAA COc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239164774 MWIXYJCPLHLNDZ-NSZLKXBBSA-N 414.461 3.505 0 50 HHAA Cc1cc(C)nc(N2CCC[C@@H](C(=O)N[C@@H](c3nc4ccccc4n3C)C(C)C)C2)n1 252489006 JDNZDALQCFDGCF-WIYYLYMNSA-N 420.561 3.710 0 50 HHAA Cc1nc2sccn2c1CN(C)C(=O)c1ccc(-c2noc(C(F)F)n2)cc1 253418683 ZIKXOLJIYBNNSM-UHFFFAOYSA-N 403.414 3.964 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N(C)Cc3nccs3)csc2C1 426628778 OUOJUNOKPYPRPU-UHFFFAOYSA-N 402.545 3.640 0 50 HHAA CC(C)N1CCC(N2CCN(C(=O)c3cccc(Oc4ccncc4)c3)CC2)CC1 433574287 NBXGAVPEKWJSAL-UHFFFAOYSA-N 408.546 3.505 0 50 HHAA O=C(CSCc1cccnc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 728478961 YOJDGRRJPFPWES-UHFFFAOYSA-N 403.463 3.754 0 50 HHAA COc1ccc(N2CCN(Cc3cnc(-c4cccc(C)c4)nc3)[C@@H](C)C2=O)cc1 824679033 QSVUNLYQQGIMCD-SFHVURJKSA-N 402.498 3.698 0 50 HHAA CCc1nc(N2C[C@@H]3CN(Cc4nccs4)C[C@]3(CCc3ccccc3)C2)no1 1772813457 BCZSEZQCGMYHQX-PGRDOPGGSA-N 409.559 3.660 0 50 HHAA CCOc1cc2c(cc1NS(=O)(=O)c1cnn(-c3ccccc3)c1F)O[C@H](C)C2 1875336362 YAVNCRZURAAIGQ-CYBMUJFWSA-N 417.462 3.534 0 50 HHAA Cc1cc(NCc2ccc(OCCn3ccnc3)c(Cl)c2)ccc1OCCO 2325731325 UGWYCRQQWZCUMC-UHFFFAOYSA-N 401.894 3.907 0 50 HHAA O=C(NCc1cccnc1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 866514 GLNVTHRMCZGKIK-DZGCQCFKSA-N 407.421 3.930 0 50 HHAA CCn1nc(C)c(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CC[C@H](C)C3)c1C 2781708 MHZHRPIRLXYXKT-NSHDSACASA-N 400.548 3.851 0 50 HHAA Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2871253 LYULKGIYAYHAQR-AWEZNQCLSA-N 410.898 3.827 0 50 HHAA O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)NCc1ccccc1 4616343 GBMYHCFVNOREMT-UHFFFAOYSA-N 409.511 3.936 0 50 HHAA O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccc(Br)cc1 4706711 IINNOWQMMDWMMI-UHFFFAOYSA-N 406.299 3.739 0 50 HHAA Cc1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)ccc1Br 4706829 KPOJMFKPLOGCCA-UHFFFAOYSA-N 402.336 3.908 0 50 HHAA CC(C)Cc1cc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n[nH]1 11934797 SQQAOBPPPWUNQG-SFHVURJKSA-N 406.534 3.645 0 50 HHAA COc1ccc(C(=O)NC2CC2)c(OC2CCN([C@H](C)COc3ccccc3)CC2)c1 12713660 QOUIUFUYPGCIHP-GOSISDBHSA-N 424.541 3.898 0 50 HHAA Cc1ccccc1CN[C@H]1CCc2c(sc3ncn(Cc4ccccn4)c(=O)c23)C1 14994707 IIPLNAWXJUHLQL-SFHVURJKSA-N 416.550 3.857 0 50 HHAA Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)o1 15066571 YKZHAFFGFMKKIC-QGZVFWFLSA-N 403.548 3.539 0 50 HHAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCC2=NNC(=O)CC2)c1 20598463 VKZJLLRSFCNCGT-RUZDIDTESA-N 414.509 3.997 0 50 HHAA COCc1nn2c(ncc3c(=O)n(C[C@H]4CCCO4)ccc32)c1-c1ccc(Cl)cc1 40397889 UPLJPLLNSXQCFO-MRXNPFEDSA-N 424.888 3.690 0 50 HHAA COc1cccc(NC(=O)c2cccc(NC(=O)COCC(F)(F)C(F)F)c2)c1 55244138 QFCSVOZFWDZYJW-UHFFFAOYSA-N 414.355 3.803 0 50 HHAA Cc1cc(=O)oc2cc(NC(=S)N3CCN(CCc4ccccc4)CC3)ccc12 55552099 IJCNITQNXQIMBP-UHFFFAOYSA-N 407.539 3.659 0 50 HHAA Cn1nnc(-c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3F)cn2)n1 95938176 GIBJIBYBOVNDET-UHFFFAOYSA-N 404.405 3.827 0 50 HHAA CN(C)C(=O)C1CCN(C(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)CC1 143034346 HPWNDVRRMUXKSF-UHFFFAOYSA-N 405.498 3.687 0 50 HHAA COc1cccc(CC(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1 169770259 XUIPKUQRQUUIBF-IBGZPJMESA-N 408.477 3.552 0 50 HHAA C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 241317032 LXGDZIWVBSZLMJ-YEWWUXTCSA-N 409.910 3.951 0 50 HHAA O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCC[C@H]1c1nc2ccccc2s1 252444290 SDGQUGGWDCSSTB-ROUUACIJSA-N 406.511 3.554 0 50 HHAA O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC(O)(Cc2ccc(F)cc2)CC1 483312261 HGRXLDKWUONVLB-YADHBBJMSA-N 412.505 3.825 0 50 HHAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H](c1ccc(F)cc1)N1CCCCC1 827647438 KFYVCTYCRGWDIZ-HSZRJFAPSA-N 409.505 3.796 0 50 HHAA COc1ccccc1-c1ccnc(C2CCN(Cc3nc4c(s3)CNCC4)CC2)n1 952893892 OKFWWBCVVDAGEE-UHFFFAOYSA-N 421.570 3.634 0 50 HHAA CN(CCCc1cn(-c2ccsc2C(=O)O)nn1)C(=O)c1ccc(F)c(Cl)c1 1875355373 IBVFGIUAYGNLPL-UHFFFAOYSA-N 422.869 3.524 0 50 HHAA C=CC(=O)NC[C@@H](NC(=O)c1cnn(C(C)(C)C)c1C)c1ccc2ccccc2c1 1875386618 VSRHGFFCHBFUNE-OAQYLSRUSA-N 404.514 3.873 0 50 HHAA COc1cc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc(OC)c1OC 830215 CCGZVYQZQDNCKX-UHFFFAOYSA-N 404.426 3.699 0 50 HHAA CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCCOC)cc3n2)s1 2112625 WLTUSYRRZSQILD-UHFFFAOYSA-N 412.437 3.805 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccn1 2263523 RWDLYTOVUHXMKX-UHFFFAOYSA-N 418.320 3.853 0 50 HHAA CC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2I)cc1 2982175 QKADJYOHTOGHSO-UHFFFAOYSA-N 424.263 3.621 0 50 HHAA O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1 5773338 WMLYKLNIWSLNMU-UHFFFAOYSA-N 420.962 3.632 0 50 HHAA Cc1ccc(C)c(-c2ccc(=O)n(CC(=O)Nc3cccc(Br)c3)n2)c1 6767428 AITGYOJWYSBUIW-UHFFFAOYSA-N 412.287 3.928 0 50 HHAA CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1CNCc1ccc2c(c1)OCO2 12037897 UVDYNEIAHBJKDV-UHFFFAOYSA-N 413.861 3.721 0 50 HHAA O=C(N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cnc(CN2CCCC2)s1 12058362 BOTYKIGUYAYNIX-GOSISDBHSA-N 418.994 3.787 0 50 HHAA CC(=O)c1cccc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 12074079 XUDIKEJMTAXSHT-NRFANRHFSA-N 402.498 3.926 0 50 HHAA C[C@@H](Cc1cnccn1)NC(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1 12074808 WKAKEUUHPAEUEZ-SFHVURJKSA-N 410.562 3.727 0 50 HHAA COc1ccc(OCc2cc(C(=O)N(CCO)Cc3ccccc3)no2)c(Cl)c1 12076566 JRZZYFRUOZARDK-UHFFFAOYSA-N 416.861 3.550 0 50 HHAA COc1ccc(CC(=O)N(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)cc1 12111860 GOUNFHCRMUQGIR-DEOSSOPVSA-N 414.590 3.900 0 50 HHAA COc1cccc(C[C@@]2(CO)CCCN(CC3=Cc4cc(OC)ccc4OC3)C2)c1 12386294 NWQCCLJPCLAEDN-VWLOTQADSA-N 409.526 3.797 0 50 HHAA CCOC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c1C 12458195 QFCKPRYZSNQQJG-FQEVSTJZSA-N 411.546 3.635 0 50 HHAA COc1ccc(CN2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)cc1 17090838 UHQGQYLRQPCFQW-UHFFFAOYSA-N 416.587 3.744 0 50 HHAA Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1C 101228282 UVOZQROLTOPGGO-OALUTQOASA-N 417.461 3.799 0 50 HHAA O=C(C1CCCCC1)N1CCC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777707 DKHVOOXZVJPEQV-SFHVURJKSA-N 406.490 3.739 0 50 HHAA C[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CCN(CC(F)(F)F)CC1 239367339 AIJFVHKPBNNODG-SJKOYZFVSA-N 421.866 3.837 0 50 HHAA Cc1nc2ccccc2n1CCCCCN1CCN(C[C@H](O)c2ccccc2)CC1 328593979 FQWOOWVGGFGKOR-VWLOTQADSA-N 406.574 3.866 0 50 HHAA CC[C@H](c1ccccc1)S(=O)(=O)NC(=O)Cc1cccc(OCc2cccnc2)c1 814015323 DLIBZOOKPOBKPD-JOCHJYFZSA-N 424.522 3.800 0 50 HHAA Cc1cc(CN[C@@H](Cn2cccn2)c2ccccc2)c(C)c(CN2CCN(C)CC2)c1 952862248 NRYOORVGNDWJTN-SANMLTNESA-N 417.601 3.778 0 50 HHAA COCCc1noc([C@@H]2CCCN(C(=O)c3cc(C)nc4c(C)c(C)ccc34)C2)n1 952971273 GIMXTXUAZYGHRA-QGZVFWFLSA-N 408.502 3.752 0 50 HHAA Cc1ccccc1-c1noc(CCC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)n1 952987581 NFUJXMACGOXWPO-LJQANCHMSA-N 406.486 3.580 0 50 HHAA O=C(NCc1ccc(N=c2cc[nH]cc2)cc1)NC[C@H]1CCCN1Cc1ccccc1 1228118459 DFHPVGMEFATYSX-XMMPIXPASA-N 415.541 3.711 0 50 HHAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704301082 IWOJOUVCUYAAEF-DEOSSOPVSA-N 401.514 3.533 0 50 HHAA COc1cccc(CN2CCC3(CCc4c3nc(C)[nH]c4=NC(C)C)CC2)c1OC 1857696051 KDPLFYJEHXGETM-UHFFFAOYSA-N 410.562 3.524 0 50 HHAA C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2)C1 1875256273 VUIHMKZUWFBKNX-MRXNPFEDSA-N 412.559 3.750 0 50 HHAA Cn1ncc(C(=O)N[C@H](CO)c2ccc(F)c(C(F)(F)F)c2)c1Cc1ccccc1 1875357878 AGNCQJSQXVVZDG-GOSISDBHSA-N 421.394 3.632 0 50 HHAA Cc1cc2ncn(C[C@H](O)CNC(=O)c3[nH]c4ccc(F)cc4c3Cl)c2cc1C 2325722182 CYJGBHBQTPFUOY-CQSZACIVSA-N 414.868 3.718 0 50 HHAA CN1C(=O)c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2C1=O 678694 DGEGWMQXEBRGHR-UHFFFAOYSA-N 415.474 3.706 0 50 HHAA Cc1cc(-c2ccc(NC(=O)CCC(=O)O)c(C)c2)ccc1NC(=O)CCC(=O)O 721766 FMLIJUCXKOYSFK-UHFFFAOYSA-N 412.442 3.577 0 50 HHAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccnc1 784240 ASNPFBWFSFEZNP-UHFFFAOYSA-N 401.875 3.569 0 50 HHAA Cn1cnnc1S[C@@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccccc1 921818 FGWXANCJYIKIKW-WOJBJXKFSA-N 422.535 3.835 0 50 HHAA COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 1050635 WTRSOIKBLOMPDW-UHFFFAOYSA-N 410.495 3.734 0 50 HHAA CC(=O)Nc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1 1123573 KVLBPIDAWDSAKE-GOSISDBHSA-N 414.918 3.730 0 50 HHAA Cc1cccc(N2CCN(C(=O)c3cccc(I)c3)CC2)c1C 1179883 GPCXJDDNRUZSHR-UHFFFAOYSA-N 420.294 3.870 0 50 HHAA CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc2c(c1)OCO2 1184903 CNTKGRMQQYGWPT-HXUWFJFHSA-N 422.466 3.823 0 50 HHAA Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCSCC4)c3n2)cc1 1187675 BLCTZMWNDBLGBY-UHFFFAOYSA-N 406.433 3.913 0 50 HHAA COc1cc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)nc(OC)n1 1194871 GGFWEVRWOQKDIK-UHFFFAOYSA-N 423.039 3.908 0 50 HHAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 1200007 GFGLOLOOOSNLRS-LBPRGKRZSA-N 405.834 3.628 0 50 HHAA COc1ccc(/C=C2\NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 2312970 UQIMUARVWMEAEC-NVNXTCNLSA-N 408.401 3.985 0 50 HHAA CCOC(=O)c1sc2ncn3nc(CCn4nc(C)c(Cl)c4C)nc3c2c1C 2791209 KJTJNGHLXOAYJL-UHFFFAOYSA-N 418.910 3.534 0 50 HHAA CC(C)(C)SCCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 2989038 SGFPFUDZIBWNKQ-UHFFFAOYSA-N 420.600 3.914 0 50 HHAA COc1ccc(OCCOc2ccc(/C=C3\SC(=N)NC3=O)cc2Cl)cc1 4905362 BCQUQIDPVGGMMJ-BOPFTXTBSA-N 404.875 3.945 0 50 HHAA COc1ccc(-n2cc(CN(C)C[C@H]3COCCO3)c(-c3cccc(F)c3)n2)cc1 11661377 TUIFMNBMCWMSSX-QFIPXVFZSA-N 411.477 3.534 0 50 HHAA CC[C@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCc1ccc(Cl)cc1)C2 12056933 RKECDGWJWFUYAC-AAEUAGOBSA-N 419.934 3.843 0 50 HHAA COc1ccccc1-n1cc(CNC(=O)CCc2nnc(C3CCCCC3)o2)cn1 12073934 WXYDJADJLIIHLI-UHFFFAOYSA-N 409.490 3.561 0 50 HHAA COc1cc2nc(CN3CCC(c4nc5ccccc5o4)CC3)nc(N)c2cc1OC 12078664 GZOWQMCRLPXWAG-UHFFFAOYSA-N 419.485 3.750 0 50 HHAA Cc1cccnc1CNC(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1 12152096 SMHITAOCXKZXRZ-RUZDIDTESA-N 401.510 3.831 0 50 HHAA COc1cccc(COc2nc3cc(F)ccc3cc2CNCc2cnn(C)c2)c1 12161258 SBVWGTYPRRXCPK-UHFFFAOYSA-N 406.461 3.985 0 50 HHAA C[C@@H]1CN(C(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)CCN1C 12196940 IWUKXYWHKDRBGB-GFCCVEGCSA-N 408.449 3.858 0 50 HHAA COCC(=O)N1CCC(n2c([C@H]3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1 12246547 RKFUDXKTONKYCQ-QGZVFWFLSA-N 411.424 3.717 0 50 HHAA COc1ccc(OCc2nc(C(=O)N[C@H](c3ccccn3)C(F)(F)F)co2)cc1 12307553 AVUZYMFJNPUOEF-QGZVFWFLSA-N 407.348 3.691 0 50 HHAA COC1CCN(C(=O)CC[C@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)CC1 12326251 ILSYGSBLRZHMAK-SANMLTNESA-N 420.553 3.963 0 50 HHAA Cc1nnc(SCC(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)o1 12597073 PYPHDBCHBLHIPB-UHFFFAOYSA-N 406.467 3.863 0 50 HHAA O=C1C[C@@H](N2CCC(Nc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 18271589 VHAPVSCJNRSHHY-LJQANCHMSA-N 401.869 3.688 0 50 HHAA CCN1CCC(N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 20212341 RUGMAWYFZRANSR-JOCHJYFZSA-N 424.555 3.776 0 50 HHAA CCOc1ccccc1-n1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccco3)nc21 20604082 CCJAXULPHNPNLJ-UHFFFAOYSA-N 423.450 3.889 0 50 HHAA O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(F)c1 23382408 SSUSHHKAPOPJHE-FQEVSTJZSA-N 415.428 3.687 0 50 HHAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)CC1 55037203 VWJJGOLTXOHWRE-HXUWFJFHSA-N 412.509 3.653 0 50 HHAA CCc1ccc(CN2CCC(N3CCC(C(=O)NCc4cccnc4)CC3)CC2)cc1 55061142 OUFZAFFQQOITOT-UHFFFAOYSA-N 420.601 3.637 0 50 HHAA CCC1(C)CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 82114505 YEPRBWNDKMSVIO-JOCHJYFZSA-N 412.622 3.797 0 50 HHAA Clc1ccc2c(c1)c1cc(Cl)ccc1n2C[C@@H]1CN2CCOB(OCC2)O1 195815849 VIQOMLXNYDNRLI-HNNXBMFYSA-N 405.090 3.834 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)O)cc1F 225611236 CWDSDNDYWLGYRM-UHFFFAOYSA-N 402.241 3.704 0 50 HHAA Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]1c1ccncc1 238950269 XJZAFMJCRHXMSW-HBMCJLEFSA-N 403.413 3.580 0 50 HHAA CCOc1cccc2c1O[C@@]1(C)[C@H](C(=O)OC)[C@H]2NC(=S)N1c1ccc(C)cc1 245247958 ZQVCYOSNQIEPQB-SPEDKVCISA-N 412.511 3.727 0 50 HHAA CN(C[C@H]1COc2ccccc2O1)C[C@@H](O)COC(c1ccccc1)c1ccccc1 252452829 HCPYGECYHALWDB-PKTZIBPZSA-N 419.521 3.925 0 50 HHAA Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nccs2)c2ccccc21 253410263 NBVJQDQUTJNXGM-HNNXBMFYSA-N 400.504 3.709 0 50 HHAA COC(=O)c1cc(Cl)c(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1OC 328594210 ZDZWVGNHUSVOEV-UHFFFAOYSA-N 422.261 3.870 0 50 HHAA Cc1cnccc1CN(C)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426595068 RQRNCGSRZQQWIB-UHFFFAOYSA-N 410.543 3.887 0 50 HHAA CCc1noc(C)c1CS(=O)(=O)c1ncc(-c2ccccc2)n1CC(F)(F)F 466368870 PXTNSCULPLFFTQ-UHFFFAOYSA-N 413.421 3.945 0 50 HHAA Cc1cc(-n2c(C)cn(CN(C)[C@H](c3ccc(Cl)cc3)c3cccnc3)c2=O)no1 1875257184 FTFJMFWHXYIFNF-OAQYLSRUSA-N 423.904 3.971 0 50 HHAA CC(C)[C@@H](NC(=O)CN[C@@H](C)c1cnn(C2CC2)c1)c1ccc2c(c1)OCCCO2 1875316543 YJHLQBKKJJQOIN-QMHKHESXSA-N 412.534 3.543 0 50 HHAA C[C@@H]1CCO[C@H]1CCOC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 2325827210 ZHMYLTUTWBIXQE-MNEFBYGVSA-N 405.560 3.858 0 50 HHAA COc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccccc4)cc3C2=O)cc1 629845 RYOSLDSESMFPLO-UHFFFAOYSA-N 415.401 3.536 0 50 HHAA CCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccccc1 1013333 DDDRHGSHVJOOBH-UHFFFAOYSA-N 416.543 3.539 0 50 HHAA CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2cc(Br)ccc21 1066038 CKIUJYTTZXFXTB-MRXNPFEDSA-N 414.708 3.991 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2Cl)cc1 1135376 FUQKKLQAYWFYKQ-UHFFFAOYSA-N 420.962 3.898 0 50 HHAA COc1ccc(C)cc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccccc1 1173245 AJJQROBOPZQTGQ-UHFFFAOYSA-N 416.543 3.602 0 50 HHAA CCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 2868302 WQONSIQOYDPOJI-UHFFFAOYSA-N 410.495 3.810 0 50 HHAA O=C(O)c1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 4324338 PGUCUVQQVZYPJB-UHFFFAOYSA-N 400.478 3.932 0 50 HHAA COc1ccc(OCc2cc(C(=O)N(C)[C@H](C)c3nccs3)n[nH]2)c(Cl)c1 11661976 GINBNYCZNOTZEW-LLVKDONJSA-N 406.895 3.940 0 50 HHAA O=C(NC[C@H]1CCC2(CCN(Cc3cccc4ncccc34)CC2)O1)c1ccco1 11912632 QEPPGAFXEHJOCG-LJQANCHMSA-N 405.498 3.771 0 50 HHAA COc1ccc(-n2nc(NC(=O)c3cccnn3)c3c(OC(C)C)cccc32)cc1 72477238 MPUYJICDOYJLAK-UHFFFAOYSA-N 403.442 3.864 0 50 HHAA CCc1c(C(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)csc1C 91894318 REZCLIUGPQAWKU-KRWDZBQOSA-N 404.576 3.643 0 50 HHAA COc1cc(CN(C)Cc2ccoc2)ccc1OC[C@@H](O)CN1CCCCCC1 95496716 WWHKPXJHXLDDHX-NRFANRHFSA-N 402.535 3.536 0 50 HHAA CCOc1cccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)n2)c1 169758272 YTFSMDMTUDIOFX-SFHVURJKSA-N 407.405 3.804 0 50 HHAA COc1cccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(SC)cc5)no4)c3CO2)c1 169758467 OXWUQPQTBWNGCF-SFHVURJKSA-N 421.482 3.997 0 50 HHAA O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCC[C@H]1c1ccccc1 225526426 OQPDEBKRFQFCPX-ZWKOTPCHSA-N 401.304 3.631 0 50 HHAA Cc1csc(CN(C)C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)n1 1506420747 CITZMJQECHSUEP-UHFFFAOYSA-N 406.573 3.716 0 50 HHAA COC(=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 1848443575 DLYVTEULDNMQAR-ONCINLOESA-N 422.606 3.537 0 50 HHAA Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13 1857736761 UOTKRJLCANJBKT-FBLLAGFSSA-N 404.510 3.860 0 50 HHAA CO[C@@H]1C[C@H]2CN(Cc3nc(-c4ccc(C(C)C)cc4)no3)Cc3cccnc3N2C1 1875268161 BZUFUDSBQACCBW-LEWJYISDSA-N 419.529 3.865 0 50 HHAA O=C(NS(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccc(-n2cccc2)cc1 1875337706 ZQDDURPEKLTPTR-UHFFFAOYSA-N 400.403 3.676 0 50 HHAA C=CC(=O)N1CCC(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)CC1 1875369311 GWXNPVJYVYZQMQ-UHFFFAOYSA-N 401.482 3.708 0 50 HHAA C[C@@H](c1ccccc1)[C@H](NC(=O)CCC(=O)c1cc(Br)cs1)C(=O)O 2325876514 YCXCWNZVGPPRHT-GTNSWQLSSA-N 424.316 3.847 0 50 HHAA Cc1ccc(Cl)cc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1 877127 HRQNOFJIAMOXIM-UHFFFAOYSA-N 418.902 3.753 0 50 HHAA O=C(OCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ccccc2oc1=O 1132898 QWAHCLBTINGATM-UHFFFAOYSA-N 420.442 3.983 0 50 HHAA COc1cccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)c1 1147589 VRFQQAVYVZHMLU-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA COC(=O)C1=CN(Cc2ccc(C)cc2)C=C(C(=O)OC)C1c1ccc(F)c(F)c1 2774684 IWDGWQZJFLVDSG-UHFFFAOYSA-N 413.420 3.986 0 50 HHAA CCc1ccccc1N1C(=O)C[C@@H](SCC(=O)Nc2ccc(Cl)cc2)C1=O 2861152 ZCRWDHDLPVCWOZ-QGZVFWFLSA-N 402.903 3.906 0 50 HHAA CC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 2871288 QQGMOULOVGZNBF-UHFFFAOYSA-N 415.298 3.601 0 50 HHAA COc1ccc2c(C)c(CC(=O)NCc3ccc(Cl)cc3)c(=O)oc2c1OC 4540662 BBEUUTBZKPENMG-UHFFFAOYSA-N 401.846 3.631 0 50 HHAA CC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 9426652 BNJHEHOZVMGTOX-UHFFFAOYSA-N 406.939 3.980 0 50 HHAA CCN(Cc1ccncc1)Cc1ccc2c(c1)CN(C(=O)c1csc(C)n1)CCO2 11782316 OIYVOTCQJRQUQD-UHFFFAOYSA-N 422.554 3.903 0 50 HHAA COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@@H](O)CN(C)C(C)C 12076540 UVBRARIDQWBIDI-NRFANRHFSA-N 404.526 3.512 0 50 HHAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCC2CCOCC2)c1 12200486 AUFXZULHLAXNBD-UHFFFAOYSA-N 416.562 3.637 0 50 HHAA CN(CCc1ccccn1)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 12452405 BKGPOKKROSCVJI-UHFFFAOYSA-N 414.469 3.509 0 50 HHAA CSCC[C@@H](CO)NC(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 12458482 SEMMCEABWRNQSQ-INIZCTEOSA-N 404.919 3.916 0 50 HHAA Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCOCC3)o2)cc1 15684483 WZCHXPDQJSSDFF-XLNRJJMWSA-N 416.477 3.885 0 50 HHAA O[C@H](COCc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19720980 MSSZMIUMUQIRJI-SANMLTNESA-N 416.565 3.971 0 50 HHAA Cc1noc(C)c1COc1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1 20617742 OXZLTUFEVUFQLR-UHFFFAOYSA-N 423.488 3.968 0 50 HHAA CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1 43204022 LLXISKGBWFTGEI-FQEVSTJZSA-N 420.485 3.880 0 50 HHAA investigational O=C(O)c1cccc(-c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cn2)c1 67649334 ROKAYTWBKWQOQX-UHFFFAOYSA-N 403.438 3.525 0 50 HHAA Cn1c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc2cc(Cl)ccc21 147960786 RFACBOUHRDRAHN-UHFFFAOYSA-N 408.889 3.952 0 50 HHAA Cc1cccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)c1 169754948 ASJZZFZJNFZHEB-UHFFFAOYSA-N 414.303 3.671 0 50 HHAA COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 239672630 BUIGRYTWMJQJQY-BXWFABGCSA-N 418.559 3.531 0 50 HHAA C[C@@H]1CN(C[C@H](O)c2ccc(Cl)cc2)CCN1C[C@@H](O)c1ccc(Cl)cc1 252444215 SOSJSQXPSSZICL-GQWLDOHISA-N 409.357 3.767 0 50 HHAA O=C1NC(=O)[C@H](CCC(=O)N(CCC2=CCCCC2)Cc2ccc(Cl)cc2)N1 952870244 URTRSWGCWYIGFD-SFHVURJKSA-N 403.910 3.547 0 50 HHAA COCc1cc(=O)c(O)c(-c2[nH]c(-c3ccccc3)nc2-c2ccc(O)c(OC)c2)o1 1857526406 FHCGHPYQRQKTDM-UHFFFAOYSA-N 420.421 3.930 0 50 HHAA C[C@@H](c1ccc(-c2cncnc2)cc1)N1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1875257592 HNZQXJQZSVZRKO-NYHFZMIOSA-N 411.465 3.849 0 50 HHAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 2100477942 MBZDDLYFMBCBFT-OXQOHEQNSA-N 400.906 3.844 0 50 HHAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCN(C(=O)CCC(=O)c2cccs2)CC1 2325826040 MQONFMNNEDQVSE-ULQDDVLXSA-N 402.560 3.645 0 50 HHAA Cc1nc(-c2cccc(CNC(=O)Nc3cc(CN)cc(C(F)(F)F)c3)c2)n[nH]1 2325879169 KYDZAEPQBLYKDD-UHFFFAOYSA-N 404.396 3.579 0 50 HHAA O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NC[C@@H]1CCCO1 885352 YKGUPEDKHDJWLB-ZDUSSCGKSA-N 423.460 3.648 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@@H]2CCC(=O)N2C2CCCC2)sc2c1CCCC2 1123358 PZQMWTRIMXLUOS-HNNXBMFYSA-N 404.532 3.676 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)c(Cl)c1Cl 1127588 LDZCQSXXYRXXQW-UHFFFAOYSA-N 417.314 3.941 0 50 HHAA O=C1NC(=O)c2cc(N3C(=O)c4cccc(Oc5ccc(Cl)cc5)c4C3=O)ccc21 1164878 KXODRCKZTCOWNB-UHFFFAOYSA-N 418.792 3.817 0 50 HHAA O=C1OCC2=C1[C@@H](c1ccc(F)cc1)CC(=O)N2c1cccc(Br)c1 1427873 SOMWRUSGCJDPBE-OAHLLOKOSA-N 402.219 3.920 0 50 HHAA CCOC(=O)c1c2c3c(c(Br)ccc3n(C)c1=O)C(=O)c1ccccc1-2 1757665 QMEYRRLFSLHNJG-UHFFFAOYSA-N 412.239 3.689 0 50 HHAA CN(c1ccc(C(=O)NCCSC(C)(C)C)cc1)S(=O)(=O)c1ccccc1 2993140 HKYDGWJKLHOJOG-UHFFFAOYSA-N 406.573 3.773 0 50 HHAA CCOc1cc(C(=O)NCc2ccc(OC)c(OC)c2)cc(OCC)c1OCC 2995860 VCIDRJNXCITEEE-UHFFFAOYSA-N 403.475 3.830 0 50 HHAA CCCC[C@H](C(=O)OCC(=O)c1ccc(C)c(C)c1)N1C(=O)c2ccccc2C1=O 4724973 RBGNXTQTPPNDIY-HXUWFJFHSA-N 407.466 3.884 0 50 HHAA Cc1ncc2c(c1CNC(=O)c1ccco1)CCN(C(=O)Cc1ccccc1Cl)C2 12051126 HSUDWMWKVIEUQQ-UHFFFAOYSA-N 423.900 3.694 0 50 HHAA O=C(c1nc(N2CCCC2)nc2c1CCCC2)N1CCC[C@@H](OCc2ccccc2)C1 12578336 VLUUMQWSHPPODN-HXUWFJFHSA-N 420.557 3.777 0 50 HHAA CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1OC 13519596 OJQPVYHQMRJQNF-LBPRGKRZSA-N 403.533 3.858 0 50 HHAA Cc1c(C(=O)N2CCC[C@@H](O)C2)sc2ncnc(NCCC3=CCCCC3)c12 14886767 GJSCZTACKFCANT-MRXNPFEDSA-N 400.548 3.899 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1cnc2ccccc2c1)C[C@H](NCC1CC1)CC3 14887700 DDVBRLIOBYCHRG-GOSISDBHSA-N 416.550 3.911 0 50 HHAA O=C1CC[C@@](CCC(=O)N2CCC(c3nc4ccccc4o3)CC2)(Cc2ccco2)N1 14963659 NEXUDNMSGOJOLQ-XMMPIXPASA-N 421.497 3.799 0 50 HHAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(C1CCN(C(C)=O)CC1)C2 20256786 FGPRQXZCPSOFLA-UHFFFAOYSA-N 400.544 3.937 0 50 HHAA O=C(Cc1cccs1)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 95387568 XXQLLTQPEARJRT-UHFFFAOYSA-N 404.482 3.610 0 50 HHAA CC1=CC(C)(C)N(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c2ccc(C)cc21 169681402 IEHWZLVMTWVLBE-UHFFFAOYSA-N 407.514 3.575 0 50 HHAA COc1cccc2c1N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)CC[C@@H]2C 170597059 IACNOBFCFAUPJE-SFHVURJKSA-N 421.541 3.886 0 50 HHAA COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 239038577 DMTLHMBJHHIBLA-BDTNDASRSA-N 418.424 3.885 0 50 HHAA COc1cc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc2c1OCO2 253401385 FOUYCNXTGPANDW-INIZCTEOSA-N 418.401 3.802 0 50 HHAA biogenic CN1C(=O)C[C@H](C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)c2ccccc21 1506417727 SWTLIOCOEAUFTN-KRWDZBQOSA-N 406.461 3.558 0 50 HHAA Cc1cc2c(cc1CN1CCC[C@@]3(CCc4c(O)nc(C(C)(C)C)nc43)C1)OCO2 1857690360 IOBUYCZWOQFUBU-XMMPIXPASA-N 409.530 3.997 0 50 HHAA Cc1sc2nc(-c3cccnc3)nc(N3CCC(c4nc(O)n[nH]4)CC3)c2c1C 1875256915 AAJUMNIEFPTJIJ-UHFFFAOYSA-N 407.503 3.578 0 50 HHAA Cc1cc(C2CCN(S(=O)(=O)c3cc(Br)ccc3Cl)CC2)on1 2325819115 SKQXJRQLWMYRFK-UHFFFAOYSA-N 419.728 3.967 0 50 HHAA CC(C)(C)NS(=O)(=O)C1(CNc2ccnc(Cl)c2Br)CCC1 2325862324 QAVMOUUNSUQXJA-UHFFFAOYSA-N 410.765 3.550 0 50 HHAA Cc1cccc(-c2ncc(S(=O)(=O)Nc3cnn(Cc4ccncc4)c3)s2)c1 2325880154 WXITZBSASSDBRU-UHFFFAOYSA-N 411.512 3.559 0 50 HHAA COc1ccc(Cn2nc(C)cc2NC(=O)c2ccc(CN3CCCC3)o2)cc1OC 2356135527 IJWIJEBQVSUGSE-UHFFFAOYSA-N 424.501 3.698 0 50 HHAA O=C(Cc1cccnc1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2CC1CCCCC1 2356156961 YKHFTQWDMQYGOE-LDVJMBRRSA-N 409.574 3.823 0 50 HHAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cc(Br)ccc1F 1170790 MRYURBKPFYQBJH-UHFFFAOYSA-N 412.255 3.511 0 50 HHAA COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)N2CCCCC2)cc1OC 1171735 FXLFZSMMPKXGND-HMMYKYKNSA-N 408.498 3.796 0 50 HHAA Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1172260 GWCLQXWAIHWVKA-UHFFFAOYSA-N 414.458 3.952 0 50 HHAA Cc1ccc(Cn2cc(-n3c(S)nnc3-c3cc(C(F)(F)F)nn3C)cn2)cc1 2808414 WKBFQRZJRRDGQN-UHFFFAOYSA-N 419.436 3.529 0 50 HHAA CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3n2)s1 2808770 DPMXMSRUPAURNF-NSHDSACASA-N 424.448 3.948 0 50 HHAA O=C(NCCCN1CCCCC1)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 6895570 JFTPHYHNBWMXPM-HHHXNRCGSA-N 408.951 3.847 0 50 HHAA O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 11841407 UEGCOKQOWIPSKV-QHCPKHFHSA-N 411.885 3.904 0 50 HHAA O=C(c1cccnc1)N1CCC[C@@H](COc2ccc(CN3CCSCC3)cc2)C1 12282205 RKYDHJRRZYHSQG-HXUWFJFHSA-N 411.571 3.562 0 50 HHAA CCS(=O)(=O)c1ncc(CN2CC[C@@H]3CCCC[C@H]3C2)n1CCc1ccccc1 12444949 AACRXPVMSJYUSI-SFTDATJTSA-N 415.603 3.932 0 50 HHAA COc1ccccc1-n1cc(C(=O)N2CCC[C@](CO)(Cc3ccccc3C)C2)cn1 12583150 HBVUCDMMUCCJSY-VWLOTQADSA-N 419.525 3.647 0 50 HHAA CCN(CC)[C@H]1CCN(C(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)C1 12701673 KSXGDLMWXICOPA-IBGZPJMESA-N 407.514 3.984 0 50 HHAA CN(C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)[C@H]1CCOC1 13595914 DNXGOCLDAXFQNW-QFIPXVFZSA-N 408.542 3.633 0 50 HHAA O=c1c2c3c(sc2ncn1C1CCCC1)C[C@@H](NCC1(O)CCCCC1)CC3 14992360 XCDOWSJGLAIBTB-HNNXBMFYSA-N 401.576 3.715 0 50 HHAA CCc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cccc(C)c3n2)cc1 17082722 QRBQOKRPWPEQIN-UHFFFAOYSA-N 403.526 3.835 0 50 HHAA CCOCc1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)ccc1OC 20351563 NZYMIKFQMFWQBR-DEOSSOPVSA-N 412.574 3.609 0 50 HHAA COCCn1c(=O)c(CNCC2(N3CCCCC3)CCCC2)cc2cc(C)ccc21 39558083 WWPUIFHMOKOBDO-UHFFFAOYSA-N 411.590 3.845 0 50 HHAA COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)N(c4ccccc4)O[C@H]3C2=O)cc1 100722359 AWYACEIVBOFBHB-BHDDXSALSA-N 418.424 3.885 0 50 HHAA COc1ccc(OC)c2c1CN(C(=O)Nc1nc3c(s1)CCCCC3)C[C@@H]2O 170620708 VNQKJLNESJCIHK-AWEZNQCLSA-N 403.504 3.510 0 50 HHAA O=C(Nc1cccc(N2CCCS2(=O)=O)c1)N[C@H]1C[C@H]1c1cccc(Cl)c1 170637505 PSZZGTXPCJSOBC-ROUUACIJSA-N 405.907 3.558 0 50 HHAA Cc1cc(C)n(-c2cncc(N[C@H](c3ccc(Br)cc3)[C@H](C)CO)n2)n1 225606425 ZGIJNPODXVHUCP-BLVKFPJESA-N 416.323 3.823 0 50 HHAA CSCC[C@H](CO)NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 252495070 OMBYQWVSGSHPHJ-HIFRSBDPSA-N 406.375 3.735 0 50 HHAA O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 426580419 QTHXQYCPBXLXQL-BDTNDASRSA-N 413.525 3.947 0 50 HHAA Cc1ccc(OCc2occc2C(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 825178277 SQPKAWLTXSTKEV-QGZVFWFLSA-N 408.454 3.795 0 50 HHAA O=C1Nc2ccccc2[C@H]1C1CCN(c2nc(-c3ccccn3)nc3c2CCC3)CC1 1251902296 ISIGQIZBNKHGQO-JOCHJYFZSA-N 411.509 3.980 0 50 HHAA CCCOc1ccc(CN2CCc3nn(C)c(-c4ccccc4)c3CC2)cc1CO 1857730890 BGSMPKNIJQLYTA-UHFFFAOYSA-N 405.542 3.969 0 50 HHAA Cc1ccccc1/C=C/c1nc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)n[nH]1 1875256951 KTCWSULPVXFUGZ-GUOLPTJISA-N 413.528 3.563 0 50 HHAA CC[C@H](C)c1ccc(S(=O)(=O)NC2CCN(c3ccccc3C(=O)O)CC2)cc1 1875262943 NQYADKSBNSDDHO-INIZCTEOSA-N 416.543 3.846 0 50 HHAA CC(C)C[C@@H](c1ccccc1)S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819365 CHJAAROLKBKZLD-NRFANRHFSA-N 418.534 3.701 0 50 HHAA Cc1ncccc1-n1nc([C@H]2CCCO2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2C 2325872668 IQXCCDNWXIZSAJ-LJQANCHMSA-N 403.486 3.743 0 50 HHAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C1 2356145660 HDKKTHUKUOKCNP-XMMPIXPASA-N 402.473 3.815 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@]23CCCN(CCc2ccccc2)C3=O)cc1 2356149696 RAIMBGRXJOSYBQ-VWLOTQADSA-N 406.526 3.673 0 50 HHAA Cc1ccc(OCCCN(C)C(=O)c2ccc3nnc([C@H](O)C(C)C)n3c2)c(C)c1 2356165013 PAMLZWDDULNIJV-OAQYLSRUSA-N 410.518 3.577 0 50 HHAA CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cc(OC)cc(OC)c4)c3)nn12 1071108 QODXDMISHLKHJK-UHFFFAOYSA-N 423.498 3.993 0 50 HHAA COC(=O)c1cc(NC(=O)c2ccccc2I)ccc1Cl 1138927 CEEYIULDMQDYDV-UHFFFAOYSA-N 415.614 3.984 0 50 HHAA COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1 8598270 CQKXLFCWZSAKFR-UHFFFAOYSA-N 401.422 3.534 0 50 HHAA CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(N(C)C)cc1 10163963 UOIZQFJHVPKUJC-UHFFFAOYSA-N 411.531 3.770 0 50 HHAA CC(=O)Nc1cc(C(=O)N2CCC[C@H](C)C2)cc2ncn(CCc3ccccn3)c12 11965930 LGTVGXUWNHRPIU-INIZCTEOSA-N 405.502 3.505 0 50 HHAA Cc1nn(C)c(Cl)c1CN1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 12024631 GYFHNYOPLYJYQB-MRXNPFEDSA-N 406.933 3.830 0 50 HHAA COc1ccc([C@@H](C)N(C)Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)cc1 12199884 DGQYLUUWWRVYOB-CQSZACIVSA-N 413.474 3.964 0 50 HHAA CC(C)C1=NO[C@@H](C(=O)N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)C1 12298247 KMQRDXZSEYVUAL-GOSISDBHSA-N 412.452 3.650 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCC[C@H](OCc3cccnc3)C2)c(OC)c1 12302334 MPUQEFAJZPPQHA-FQEVSTJZSA-N 408.502 3.670 0 50 HHAA COc1ccc(N[C@H]2CCCN(C(=O)c3ccc4nc(C)c(C)nc4c3)C2)cc1OC 12432784 WPECONUPMHVKHZ-IBGZPJMESA-N 420.513 3.981 0 50 HHAA COc1ccc(CNCc2ccc(Cl)s2)cc1OC[C@@H](O)CN(C)C(C)C 12439987 PZAXMNMVPWWFCV-INIZCTEOSA-N 412.983 3.780 0 50 HHAA CC(=O)N1CCC(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)CC1 12464498 NVMHJZSPGFHSGI-HXUWFJFHSA-N 408.546 3.569 0 50 HHAA CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CSc2ccccc2)CC1 12592297 OGYZZXGHVXUQGR-UHFFFAOYSA-N 400.548 3.824 0 50 HHAA COc1cccc(CN2C(=O)CC[C@@H]2CCNCc2cc3c(cc2Cl)OCO3)c1 14988288 DEFRAKHAPCZYJF-QGZVFWFLSA-N 416.905 3.748 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3)n2)ccc1C 16650338 XAEINGZPFPUZRI-UHFFFAOYSA-N 424.888 3.859 0 50 HHAA c1ccc(N2CCN([C@H]3CCCN(Cc4cccn4-c4cccnc4)C3)CC2)cc1 19850332 MEVNRZDQSGVIQU-DEOSSOPVSA-N 401.558 3.659 0 50 HHAA O=C(CC[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)Nc1ccc(C(F)(F)F)cc1 95507589 PDFOPMYBBJFXPZ-ZDUSSCGKSA-N 404.454 3.628 0 50 HHAA O=C(Nc1cccc(Cl)c1)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)CC1 239426023 VPTGDJDMBLXQCZ-XGECVWACSA-N 424.928 3.890 0 50 HHAA CC(C)Cn1ccc2c(NC(=O)CC[C@H]3N=C(O)N(Cc4ccco4)C3=O)cccc21 252552122 UONFXTOFWCMUFO-LJQANCHMSA-N 422.485 3.934 0 50 HHAA COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2csc(Cc3cccc(F)c3)n2)C1 253419385 RLVNFOFZFIHAER-HSZRJFAPSA-N 424.497 3.830 0 50 HHAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N(Cc1ccccn1)C[C@@H]1CCCO1 1506416868 MYGAQJWIDTVOIJ-FQEVSTJZSA-N 404.470 3.830 0 50 HHAA CC[C@@H](C(=O)N(C)Cc1nc(-c2ccncc2)no1)n1cc(C(C)=O)c2ccccc21 1506421851 WSRKMNPWKWQVIH-IBGZPJMESA-N 417.469 3.899 0 50 HHAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cc(-c2cccnc2)nc2ccccc12 1704350468 KFHOESMERCYIFG-NTKDMRAZSA-N 410.477 3.679 0 50 HHAA O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2 1772501105 QJOPXQXMZUAXSL-UHFFFAOYSA-N 419.481 3.705 0 50 HHAA Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H]2CNC[C@@]2(CCc2ccccc2)C1 1772703381 MUCUDGMQKUSVAV-NVQXNPDNSA-N 415.537 3.873 0 50 HHAA CN(C)CCN1C(=O)CC[C@H]1CCn1ccnc1-c1ccc(CC(F)(F)F)cc1 1857693453 XLKFEQZGJNVZTO-SFHVURJKSA-N 408.468 3.598 0 50 HHAA Cc1cn2cccc(C(=O)N3CCC[C@]4(CCc5c(O)nc(C(C)(C)C)nc54)C3)c2n1 1857714356 ZPWDYPCSJXQPQO-DEOSSOPVSA-N 419.529 3.556 0 50 HHAA O=C(O)[C@H](C[C@H]1CCSC1)NCc1c(Br)cccc1OC(F)F 2325852696 OLIXANLITJRGIK-SKDRFNHKSA-N 410.280 3.737 0 50 HHAA CCOC(=O)c1cccc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 846860 DDRLEYDJELMLJI-LJQANCHMSA-N 408.454 3.513 0 50 HHAA COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)cc1 1145893 PFCJDRCJHKEBDT-UHFFFAOYSA-N 412.467 3.514 0 50 HHAA COc1ccc(C)cc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 1157826 QBOPDXSTPBMBER-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA NC(=O)c1c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)sc2c1CCCC2 2628392 XHIHKEPIGAKSSE-HNNXBMFYSA-N 400.500 3.536 0 50 HHAA Nn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 2841248 UPAXRYZTMDELJR-UHFFFAOYSA-N 416.919 3.653 0 50 HHAA COc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 2852585 AVULSFFUPCJVND-LLVKDONJSA-N 417.314 3.795 0 50 HHAA CCOc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)cc(OCC)c1OCC 4056114 ZQXPRXHKPWTHCK-UHFFFAOYSA-N 417.502 3.872 0 50 HHAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccco2)n1CCCc1ccccc1 11818927 BIDWIKLWYNKNDB-UHFFFAOYSA-N 401.532 3.535 0 50 HHAA Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cccn3-c3ncccn3)N3CCC[C@@]23C1=O 11873307 ZNACULOAPUKNRM-XTJBDQBJSA-N 413.525 3.514 0 50 HHAA COC(=O)[C@H](CCSC)NC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 12433284 VQTTZDIKRCSNGO-ZDUSSCGKSA-N 423.947 3.741 0 50 HHAA COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ocnc1C)CC2 12592090 JGONFLOGONVCAG-UHFFFAOYSA-N 419.481 3.761 0 50 HHAA COc1ccccc1NC(=S)N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 13556460 XQLSRZBJEUHDQD-CYBMUJFWSA-N 412.770 3.840 0 50 HHAA CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCCc1c[nH]c3ccccc13)C2 14746812 HYCVOVFSSVDFIH-LJQANCHMSA-N 419.573 3.700 0 50 HHAA COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2scc4c2CCCC4)O3)nn1 14973893 GDPDILFRGQQHOF-KRWDZBQOSA-N 421.522 3.826 0 50 HHAA CCOC(=O)c1sc(Nc2ccccc2)nc1CN1C(=O)c2ccccc2C1=O 35287366 TUQDVGYHQWLMAG-UHFFFAOYSA-N 407.451 3.860 0 50 HHAA CCc1ncc(C(=O)Nc2nn(CC(F)(F)F)c3cc(OC(C)C)ccc23)cn1 72422001 VWLOZEOSVUCOJS-UHFFFAOYSA-N 407.396 3.991 0 50 HHAA CN(Cc1cccc(OC[C@H](O)CN(C)C2CCCCC2)c1)Cc1nccs1 95527027 KKKQHXVFBSQARH-HXUWFJFHSA-N 403.592 3.779 0 50 HHAA O=C(CCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 96523165 PSWZKLIIBJTYBS-NWDGAFQWSA-N 401.677 3.840 0 50 HHAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 101289727 XLGKCUXOTWEAMG-HXHBTQRASA-N 416.477 3.741 0 50 HHAA COc1cccc(CCC(=O)N2CCC3(CC2)NC(c2ccc(Cl)cc2)=NO3)c1 169755063 WOEFVROCEMVRCO-UHFFFAOYSA-N 413.905 3.582 0 50 HHAA COc1ccc(OC)c2c1CN(C(=O)c1cccnc1Nc1ccccc1F)C[C@@H]2O 170615909 RJZJSUCOHMRBIB-SFHVURJKSA-N 423.444 3.671 0 50 HHAA O=S(=O)(NC[C@@H]1CCCN1c1ccccc1)c1ccc(OC(F)(F)F)cc1 211121993 LEWMFHSWHSWUPW-HNNXBMFYSA-N 400.422 3.533 0 50 HHAA O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cnn(-c2ccccc2F)c1 225446874 XNPQVNRWKOWRTL-FYYLOGMGSA-N 411.452 3.654 0 50 HHAA COc1ccc(C2=NO[C@@H](CNC(=O)Cc3csc(-c4ccc(C)o4)n3)C2)cc1 225768809 ZNEDTMOIBUFUEN-QGZVFWFLSA-N 411.483 3.572 0 50 HHAA O=C(NC[C@H](O)c1cccc(Br)c1)c1c[nH]nc1-c1ccc(Cl)cc1 800585280 RGUOHXLBJABRFF-INIZCTEOSA-N 420.694 3.956 0 50 HHAA Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(O)(Cc2ccccc2F)CC1 1326697575 BXTOXYMEDJUDHI-UHFFFAOYSA-N 415.553 3.824 0 50 HHAA Cc1cc(=O)c(O)c(C(C)(C)CC(=O)NCCc2nc(-c3ccccc3)cs2)o1 1857526628 PVMSQDMIEKEUHK-UHFFFAOYSA-N 412.511 3.804 0 50 HHAA CC1(C)C[C@H](C(=O)N2CCC3(CCc4c(O)nc(-c5ccccc5)nc43)CC2)CCO1 1857722029 CRJCZRTYFIXFGP-GOSISDBHSA-N 421.541 3.861 0 50 HHAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(C/C=C/c2ccccc2)CCCN1 1875240479 UOTYYSHEHCDBNO-IWXKUNQBSA-N 419.569 3.592 0 50 HHAA CC(C)C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1 1875315524 YIUVIJOBPAFQHN-NVXWUHKLSA-N 401.532 3.806 0 50 HHAA Cc1c(Cl)cc(C(=O)OCc2cc(=O)n3ccccc3n2)cc1Br 1875337750 FACZUOYDOCYDCF-UHFFFAOYSA-N 407.651 3.776 0 50 HHAA N[C@H](Cc1ccc(C(F)F)cc1)C(=O)N1CCC(c2ccccc2C(=O)O)CC1 2325830076 ZUHFCWBWCIQCFY-LJQANCHMSA-N 402.441 3.598 0 50 HHAA CCc1ccc2occ(CC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c2c1 4828722 ITENHTFTLHVFGX-KRWDZBQOSA-N 417.552 3.815 0 50 HHAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)NC(=S)N1 4828936 ACQWOIVUEBBUFA-QGZVFWFLSA-N 405.445 3.815 0 50 HHAA O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1C(=O)c1ccccc1 6457287 UIRYEZMETRNZJZ-UHFFFAOYSA-N 415.474 3.885 0 50 HHAA O=C(c1cncc(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)n1)N1CCCC1 20995253 LEXCZINKPJWQMQ-UHFFFAOYSA-N 410.481 3.686 0 50 HHAA O=C(NC1CCCC1)c1cn([C@H]2CCCN(C/C(Cl)=C/c3ccccc3)C2)nn1 20351405 DWXILIHFNWOJQA-LVSKKATPSA-N 413.953 3.867 0 50 HHAA COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCc2cccnc2)cc1 25577891 WYIWRIVWHBCIBM-FYJGNVAPSA-N 421.884 3.831 0 50 HHAA Cc1cccc(Cc2nnc(CCC(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)o2)c1 23153541 XWECUWZDZLZHKH-JOCHJYFZSA-N 418.541 3.682 0 50 HHAA Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)ccc1Br 479547569 SCPNOVPLLWMHCJ-UHFFFAOYSA-N 410.293 3.536 0 50 HHAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(C(N)=O)c1 261456150 ZJMZEPWGAVIQMD-FHLIZLRMSA-N 423.488 3.647 0 50 HHAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3Cc5ccccc5C3)[C@H]4C2=O)cc1 77471466 RCRCZZOJNWBBFE-HZLPDVBGSA-N 414.505 3.639 0 50 HHAA O=C(CCCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)Nc1nccs1 40283039 YNZLFKGGPMLSIF-UHFFFAOYSA-N 416.478 3.938 0 50 HHAA N=c1oc2ccc(Br)cc2cc1C(=O)Nc1ccc2c(c1)OCCO2 17082121 ISRNQDAGKAGDIK-UHFFFAOYSA-N 401.216 3.698 0 50 HHAA CC(=O)SCCCCCCCCCCCOCCOCCOCCOCCO 44583808 YIUDKVMGCQIRHR-UHFFFAOYSA-N 422.628 3.836 0 50 HHAA CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(CCc1ccccc1)CC2 299762612 OKMWTHNKGZLFNC-RPWUZVMVSA-N 424.610 3.812 0 50 HHAA O=C1CC[C@@H](CN(Cc2ccccn2)C(=O)c2cccc(-c3cccc(F)c3)c2)N1 828275979 MAFSIAVQRIVFHI-QFIPXVFZSA-N 403.457 3.809 0 50 HHAA CC1CCN(C(=O)COc2ccccc2CN2CCO[C@@H](c3ccccc3)C2)CC1 952977962 JZRDWJGRJDCMRU-XMMPIXPASA-N 408.542 3.897 0 50 HHAA Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN[C@H]2CCC[C@H]2Cc2ccccc2)n1 170607283 HAZYCDDSJJFPDZ-SFTDATJTSA-N 418.545 3.527 0 50 HHAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC3(CCOCC3)CC2)ccc1F 1704330260 ARYHSOQQZRJQOO-UHFFFAOYSA-N 417.481 3.588 0 50 HHAA O=C1CSC(=O)N1CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C1CCCCC1 11705363 GJTQHSGHRNVOFU-OAQYLSRUSA-N 411.527 3.869 0 50 HHAA CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CCN(Cc2ccoc2)CC1 11971777 GLDIOTVSTBTAKC-QHCPKHFHSA-N 406.530 3.609 0 50 HHAA COc1ccc(NC(=O)CC[C@@H]2CCCN(S(=O)(=O)c3ccsc3)C2)c(C)c1 12463559 MUXLCTDYXZBRDF-INIZCTEOSA-N 422.572 3.885 0 50 HHAA C[C@@H]1CN(CCC(=O)N(C)C[C@@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 12456615 GEAJAEVKGHTLRC-OXQOHEQNSA-N 402.922 3.505 0 50 HHAA COC(=O)c1cccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)o2)c1 16194269 OLVVRCIXTFSGCC-UHFFFAOYSA-N 417.874 3.831 0 50 HHAA Cc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)sc2c1 169772927 WGKBLJYWLWWOQI-LLVKDONJSA-N 409.446 3.612 0 50 HHAA CCCOc1cc(Cl)c(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)cc1OCC 1857685072 BLWIFRWEYXXDRG-INIZCTEOSA-N 411.926 3.841 0 50 HHAA CC[C@@H](NC(=O)c1ccc(OC)c(Oc2cc(F)cc(CN)c2)c1)c1ccnn1C 1857707423 ROPBMTPBVHBEHH-GOSISDBHSA-N 412.465 3.700 0 50 HHAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@]2(C)CCCc3ccccc32)C1 1875383198 KQBREQZFKYHYQL-QGDZQMKYSA-N 402.538 3.799 0 50 HHAA CNC(=O)c1cc(N2CCN(Cc3sc4ccccc4c3Cl)CC2)ccn1 2325701004 FPIHXXHANZGOMA-UHFFFAOYSA-N 400.935 3.632 0 50 HHAA OCCN(C/C=C/CN(CCO)[C@H]1CCc2ccccc21)[C@H]1CCc2ccccc21 2325707592 FWVYBRIWRJFQGS-SUWVIXMISA-N 406.570 3.506 0 50 HHAA CCOc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 816944 GNRGAECYRNJJQA-UHFFFAOYSA-N 410.495 3.919 0 50 HHAA COc1c(C)cccc1C(=O)NC(=S)Nc1cc(Cl)ccc1N1CCOCC1 1068670 LMISNXYRYHBGNF-UHFFFAOYSA-N 419.934 3.620 0 50 HHAA O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1)c1cncc(Br)c1 1183336 CSKFNLFSYKVWGW-UHFFFAOYSA-N 404.211 3.990 0 50 HHAA COc1ccccc1/C=C/[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SCCC(=O)N21 2695579 XECHECYDEDFUOZ-ZNFPLGDCSA-N 400.500 3.638 0 50 HHAA CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2OC)cc1OC 2819297 GTDNIUUYDDKVTC-UHFFFAOYSA-N 415.515 3.959 0 50 HHAA COc1ccc(OC)c([C@H]2CC(=O)c3c([nH]c(C(=O)OCCSC)c3C)C2)c1 4911743 URDLLSOWKPFASE-CYBMUJFWSA-N 403.500 3.773 0 50 HHAA Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1CNC[C@@H]1CCCO1 4992336 FOFDCQHEZOTDFJ-CEWLAPEOSA-N 400.906 3.580 0 50 HHAA COc1ccc(OC)c(CC(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)c1 11814859 CRYYIJKVVOPIGD-MRXNPFEDSA-N 411.527 3.641 0 50 HHAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cccs1 12058424 XDBDLABDMNGQND-GOSISDBHSA-N 403.567 3.803 0 50 HHAA CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)cn1 12073619 YXPSASLCGKFMHP-UHFFFAOYSA-N 410.547 3.581 0 50 HHAA O=C(CCC1CCN(C(=O)c2ccc(F)cc2Cl)CC1)NCc1cccnc1 12201162 GLRMDSYQNZNDTL-UHFFFAOYSA-N 403.885 3.823 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)CN2CCCCC2=O)C1 12386875 AQBLABXAZCDZSR-FQEVSTJZSA-N 420.509 3.913 0 50 HHAA C[C@@H](Cc1ccsc1)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 12710950 HAHOCCSNJVZWTK-INIZCTEOSA-N 412.555 3.889 0 50 HHAA CCOC(=O)C1(Cc2ccccc2Cl)CCN(C2CCN(C(C)=O)CC2)CC1 14963237 GGETVWUFEBKDPE-UHFFFAOYSA-N 406.954 3.539 0 50 HHAA CCCn1cc(CN2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c(C)n1 20534181 LSIKTOCOSNVFBJ-QFIPXVFZSA-N 414.594 3.758 0 50 HHAA COc1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)c(OC)c1 101191820 MIZDBXNJJPMSDC-MRXNPFEDSA-N 414.263 3.509 0 50 HHAA CSCC[C@H](NC(=O)[C@@H](C)N1Cc2ccccc2C1=O)c1nc2ccccc2n1C 252539486 OCLWUBCYUVFAOI-BEFAXECRSA-N 422.554 3.528 0 50 HHAA O=C(CN1C(=O)CC2(CCCC2)C1=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 253396870 BHOFJDQYSFRTLV-MRXNPFEDSA-N 413.905 3.634 0 50 HHAA N=C(O)c1c[nH]nc1[C@@H]1CCCN(Cc2csc(COc3ccc(F)cc3)n2)C1 328603549 GLNJVMQOLASUJI-CYBMUJFWSA-N 415.494 3.847 0 50 HHAA O=C(CCn1ccc2cc(Br)ccc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 409412977 BWDPTYLFMJMUHW-UZLBHIALSA-N 405.336 3.948 0 50 HHAA biogenic O=C(c1ccc(C(=O)N2CCCC[C@@H]2CCc2cccs2)cc1)N1CCOCC1 952870193 WXIJPYNMICFJSP-HXUWFJFHSA-N 412.555 3.848 0 50 HHAA COc1cc(CN2CCC(c3nc4ccc(F)cc4[nH]3)CC2)ccc1OCC(=O)O 1506412383 BXKFJDDSTFFFCE-UHFFFAOYSA-N 413.449 3.554 0 50 HHAA COc1cccc(-c2ncc(CNC3CCN(C(=O)c4cccnc4)CC3)s2)c1 1506418705 URSPMMYGRDRWPQ-UHFFFAOYSA-N 408.527 3.608 0 50 HHAA Cc1cnn(C2CCCC2)c1NC(=O)c1cccc(OCC(=O)N2CCCCC2)c1 1506422593 DFGAUHLUVLWCGT-UHFFFAOYSA-N 410.518 3.950 0 50 HHAA O=C(c1ccc[nH]1)N1C[C@@H]2CN(Cc3nccs3)C[C@@]2(CCc2ccccc2)C1 1772818346 QRJBMIYPZDXVOD-CVDCTZTESA-N 406.555 3.678 0 50 HHAA Cc1cccc(CC2(NC(=O)[C@@H]3CC(=O)N(c4nc5ccccc5s4)C3)CC2)c1 1857709874 WCXJGVLYGRGQKK-QGZVFWFLSA-N 405.523 3.849 0 50 HHAA O=C(c1ncc(F)cc1F)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1 2100557198 PHDVKYVDJNISQR-JOCHJYFZSA-N 423.463 3.938 0 50 HHAA Cc1sc(NC(=O)c2cc3c(O)ncnc3cn2)nc1-c1ccc2c(c1)CCCO2 2325744297 WWSWOVUSHCWIDG-UHFFFAOYSA-N 419.466 3.740 0 50 HHAA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccc(F)cc3)C2)cc1OC 890385 ZGBSFGYLPBIQHZ-SFHVURJKSA-N 414.433 3.776 0 50 HHAA O=C(CCCN1C(=O)c2ccccc2C1=O)OCc1cccc(Br)c1 950207 MNAJNEWCHZQBBR-UHFFFAOYSA-N 402.244 3.569 0 50 HHAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 1076797 MQLIECLVYGYLON-MRXNPFEDSA-N 404.532 3.904 0 50 HHAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(C)C)c(OC)c1 1126738 IIUHLGLCTGLKMK-UHFFFAOYSA-N 417.502 3.843 0 50 HHAA COC(=O)c1c(NC(=S)N2CCC3(CC2)OCCO3)sc2c1CCCCCC2 2858487 VAJFHYRGVRJDOS-UHFFFAOYSA-N 424.588 3.729 0 50 HHAA COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2cccc(C(=O)O)c2)cc1 4834268 BLORUYUWRJDNNF-STZFKDTASA-N 416.433 3.803 0 50 HHAA COc1ccc2cc(Br)ccc2c1CC(=O)N(C)C1CCN(C)CC1 4869860 WZGMITZIAWDLSH-UHFFFAOYSA-N 405.336 3.706 0 50 HHAA COCCNC(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 4952902 FFYQWEGNHYCCDP-NWDGAFQWSA-N 402.804 3.573 0 50 HHAA CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 5008660 VHASMCJGKPHFGN-HXUWFJFHSA-N 412.511 3.800 0 50 HHAA O=C(NCc1ccccn1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 6673604 PQTYYDAZZGSVKV-IRXDYDNUSA-N 401.392 3.868 0 50 HHAA O=C(NCc1cccnc1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11665496 AHVGYFATBVKWIA-UHFFFAOYSA-N 413.525 3.560 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)c1 12386541 LWJLKVQEIPEDLB-KRWDZBQOSA-N 415.559 3.717 0 50 HHAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 12475933 XISGKDPRTZVVOW-NRFANRHFSA-N 405.926 3.708 0 50 HHAA O=C(c1csc2c1CCCC2)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 12836338 UYTNHCKBEKSUEI-AWEZNQCLSA-N 424.613 3.519 0 50 HHAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(CCc1ccccc1)CC2 14755335 RAFAUYLQWQITOP-UHFFFAOYSA-N 421.541 3.557 0 50 HHAA Cc1nc2ncccn2c1C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 19743216 BWJPKAXFHRILGM-SFHVURJKSA-N 418.476 3.806 0 50 HHAA Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1ccccc1Cl)CC(=O)N2 65364599 XCXIZMSUKVQAGP-OAHLLOKOSA-N 408.893 3.698 0 50 HHAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1 65365469 JDRGFNRVTPBCKZ-UHFFFAOYSA-N 412.513 3.577 0 50 HHAA CCCCCCOc1ccc(N2C(=O)C[C@@H](NCc3ccc4c(c3)OCO4)C2=O)cc1 100509724 FNTHCIWHIAELJF-HXUWFJFHSA-N 424.497 3.796 0 50 HHAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 170640312 UYIXSMGFFKBCKE-FOIQADDNSA-N 400.475 3.684 0 50 HHAA C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1N[C@H](C)C[C@H](O)c1ccc(F)cc1 225408611 NFTOQMQICJCJQN-DGWIIEBVSA-N 410.530 3.546 0 50 HHAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1=O 229975335 YPTSNDHNTLWLCW-IOZGHAEBSA-N 419.525 3.788 0 50 HHAA CNC(=O)c1ccc(CNc2ccc(CCn3cc(Br)cn3)cc2)cc1 237044218 FCNBWNRIUSEDBE-UHFFFAOYSA-N 413.319 3.860 0 50 HHAA COc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 239358362 NCPYNQDHIIBZIX-MDAIXWLXSA-N 404.595 3.656 0 50 HHAA COCCn1c([C@@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)nc2ccccc21 252490409 KSVFUFLJHJUXGA-OAHLLOKOSA-N 419.485 3.572 0 50 HHAA COc1ccc(CC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1OC 263617570 ONGHOXQWUSCHFW-KRWDZBQOSA-N 411.433 3.799 0 50 HHAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CCN(CCOc1ccccc1)C2 426538642 ULHOSFHAYIAXFC-HSZRJFAPSA-N 400.469 3.858 0 50 HHAA Cc1cc(C[C@H](C)NC(=O)NC[C@@H](c2ccco2)N2CCCC2)n(-c2ccccc2)n1 448117035 UQOLBFBXCGRYIS-AVRDEDQJSA-N 421.545 3.841 0 50 HHAA O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CCOCC2)C1 1772717906 HZAVAONBARMJFJ-INIZCTEOSA-N 407.466 3.891 0 50 HHAA Cc1n[nH]cc1C1CCN(C(=O)NCc2cn3cc(Cl)cc(Cl)c3n2)CC1 1875316499 VDZAIONVKXNSGF-UHFFFAOYSA-N 407.305 3.762 0 50 HHAA CCOc1ccc([C@H]2CCCN2C(=O)C[S@](=O)Cc2nc3ccccc3[nH]2)cc1 1875320280 NZUSILLTURWINA-ACSYHNTCSA-N 411.527 3.574 0 50 HHAA O=C(NC[C@H]1CC[C@@H](O)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 1875328599 ASKQRMNWMIOOLZ-FOYXXMMASA-N 420.553 3.890 0 50 HHAA CNC(=O)CN(Cc1cc2ccccc2[nH]1)C(=O)c1ccncc1Oc1ccccc1 1875387773 WQJCYQCLXRBNCK-UHFFFAOYSA-N 414.465 3.744 0 50 HHAA O=C(C[C@H](Cc1ccccc1)C(=O)O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 2325877663 WWQYWBXVWBIBLK-NZQKXSOJSA-N 416.477 3.816 0 50 HHAA O=C1NCc2c1cccc2C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 2325899059 LPOWQNVVVFIDOS-UHFFFAOYSA-N 418.324 3.631 0 50 HHAA CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1cc(Cl)c(Cl)cc1Cl 1076565 BONKKCQNEBGVAA-UHFFFAOYSA-N 421.733 3.729 0 50 HHAA CCS(=O)(=O)c1ncc(CN2CC[C@@H]3CCCC[C@H]3C2)n1Cc1ccccc1 11936633 RZZVQZNGJQHJBL-PMACEKPBSA-N 401.576 3.737 0 50 HHAA O=C(CC[C@@H]1CCCN(C(=O)CCc2ccncc2)C1)NCc1ccc(F)c(F)c1 12201389 WAKQSCDDXZVATN-SFHVURJKSA-N 415.484 3.628 0 50 HHAA CC(C)c1nc(C(=O)N2CCC(CCC(=O)NCc3cccnc3)CC2)cs1 12320793 IXJSPWKVUFDDBB-UHFFFAOYSA-N 400.548 3.610 0 50 HHAA C[C@@H](NC(=O)C1CCCCC1)c1nnc(SCCOc2ccc(F)cc2)n1C 14978535 XADHIHQECVRLEB-CQSZACIVSA-N 406.527 3.883 0 50 HHAA COc1cc(C[C@]2(CCC(=O)NCc3cccc(Cl)c3)CCC(=O)N2)ccc1F 14979445 QXRPYGDPXWZHGY-QFIPXVFZSA-N 418.896 3.776 0 50 HHAA C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 16122259 QILGDVBYUVAHSX-ZIAGYGMSSA-N 414.574 3.501 0 50 HHAA O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1Br 20432560 UKXHDCQKBKFOHH-RMKNXTFCSA-N 414.347 3.719 0 50 HHAA COc1ccc2c(c1)C=C(CN1CCC[C@@H](N3CCN(c4ccccc4)CC3)C1)CO2 20780720 ULGWQMOIDSHDAS-XMMPIXPASA-N 419.569 3.758 0 50 HHAA C[C@@H](NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)c1ccc2[nH]ccc2c1 46018849 OQDSAXXPSSDUCA-CYBMUJFWSA-N 405.410 3.955 0 50 HHAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2cccc(C(F)(F)F)c2)n1 82230698 UGSARONCVGZFPB-UHFFFAOYSA-N 407.440 3.636 0 50 HHAA O=C(Cn1nc(-c2cccs2)ccc1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 169774004 QNRHHSYWZQDLRB-GOSISDBHSA-N 404.495 3.647 0 50 HHAA Cc1nc(N2CCC(NC(=O)c3ccc4ccccc4n3)CC2)cc(C(F)(F)F)n1 169780317 SIYNNRWNBQRXBO-UHFFFAOYSA-N 415.419 3.751 0 50 HHAA COc1cccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1OC 169780775 FMJXUJXISDCSNA-KRWDZBQOSA-N 424.476 3.632 0 50 HHAA COC(=O)CSCCC(=O)N[C@](C)(c1ccc(Br)cc1)C(C)C 170611477 GLGGZVWRQYZSKT-KRWDZBQOSA-N 402.354 3.733 0 50 HHAA COc1cccc([C@@H]2C[C@H]2C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 229429867 GTXXAQVDPOWIJP-ISJGIBHGSA-N 422.569 3.703 0 50 HHAA Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)c1 247871089 LKISCTNMRXYASH-IVAOSVALSA-N 422.912 3.792 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)NCc4ccc(O)cc4)csc3C2)nc1 426597151 BBBAZGHCDNQLFB-UHFFFAOYSA-N 407.539 3.899 0 50 HHAA CNS(=O)(=O)c1cc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)c(C)o1 433055751 BTDJMOJLWMBANP-VIFPVBQESA-N 417.314 3.562 0 50 HHAA CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 756024604 SVEITPPCCRSYPV-SIKLNZKXSA-N 412.505 3.935 0 50 HHAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCC(c2ccccc2C(=O)O)CC1 783966060 WGGXGHQRWJEBTE-HSZRJFAPSA-N 420.509 3.627 0 50 HHAA C[C@H]1CCCN(CCOc2ccccc2CN2CCN(c3ccc(O)cc3)CC2)C1 822413230 ZFNUTBOWHOHOPK-NRFANRHFSA-N 409.574 3.825 0 50 HHAA COc1ccc2nc(CNC(=O)c3cc(OC)c(OC(C)C)cc3Cl)[nH]c2c1 824539686 IPUPCHMFLLWHAV-UHFFFAOYSA-N 403.866 3.951 0 50 HHAA c1ccc(CO[C@H]2CCCN(Cc3cc4ccccc4nc3N3CCOCC3)C2)nc1 952979603 HOXBYZIIHHEHBD-QHCPKHFHSA-N 418.541 3.648 0 50 HHAA O=C(c1ccnc2[nH]cnc12)N(Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1 1875258480 QYGHNARMLHSJLK-IBGZPJMESA-N 406.873 3.987 0 50 HHAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@]4(CCc5cnc(C)nc54)C3)cc2)n1 2356162918 TYFVOBYLGLNVFT-XMMPIXPASA-N 401.514 3.708 0 50 HHAA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Br)cc1Cl 624579 CEAIEMHSOQJLTQ-UHFFFAOYSA-N 424.711 3.809 0 50 HHAA Cc1ccc(C)c(OCc2ccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)o2)c1 653549 HSGJEOXQNIKLBG-IBGZPJMESA-N 414.355 3.896 0 50 HHAA CSc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1SC 665954 GLQNURAKZUUSGQ-UHFFFAOYSA-N 403.558 3.837 0 50 HHAA Cc1cc(C)c(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(Cl)cc2)c(C)c1 754761 MUEJXJCKFHKIGE-KRWDZBQOSA-N 420.918 3.584 0 50 HHAA COc1cc(C(=O)Nc2ccc(F)cc2)cc(I)c1OC 1065467 SLBQYBOLMNNEOD-UHFFFAOYSA-N 401.175 3.700 0 50 HHAA Cc1ccc(C)c(OCC(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)NC4=O)c2)c1 1118638 UCVALYNUFUFBNI-UHFFFAOYSA-N 416.433 3.997 0 50 HHAA CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 1139969 KETGNRCDPALECF-UHFFFAOYSA-N 416.543 3.878 0 50 HHAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(NC(C)=O)cc1 1174653 LWXKSSCQARQALD-UHFFFAOYSA-N 422.304 3.543 0 50 HHAA CCOC(=O)c1ccc(NC(=S)Nc2cnn(Cc3cccc(OC)c3)c2)cc1 2857624 YLBGZWXSYFHCPD-UHFFFAOYSA-N 410.499 3.926 0 50 HHAA COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)N2CCC4CC2)cc1OC 4707715 VQWCSFAMSFVKOF-UHFFFAOYSA-N 410.499 3.845 0 50 HHAA C[C@@H](NC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O)c1ccco1 11967359 UQIVXMDHCAKEJE-MRXNPFEDSA-N 411.502 3.674 0 50 HHAA C[C@H]1Cc2cccc3c(=O)c(C(=O)N4CCN(C/C=C/c5ccccc5)CC4)cn1c23 33089153 UCLPDTIUGHSNKE-AIADIJKESA-N 413.521 3.590 0 50 HHAA CN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2ccccc2F)CC1 67622873 GLVOEEGBQATFIQ-UHFFFAOYSA-N 414.506 3.808 0 50 HHAA CN1CCCC[C@@H]1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67673274 KEMOEUZWPIVOPM-LJQANCHMSA-N 400.906 3.918 0 50 HHAA O=C(O)[C@H]1CC[C@@H](c2nc3ccc(Cl)cc3c3nc(=O)c(-c4ccccc4)nn23)C1 170620156 MZJANNJFIYBDHZ-KGLIPLIRSA-N 420.856 3.926 0 50 HHAA Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCC(=O)OC1CCCCC1 241316823 LVENDPPRCZNRRI-UHFFFAOYSA-N 407.873 3.969 0 50 HHAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cc(CC(C)C)no4)C3)C2=O)c1 426503717 VMTOUHJFFCYNLB-DEOSSOPVSA-N 409.530 3.836 0 50 HHAA CC1(C)C[C@H](NC(=O)N2CCn3c(nnc3-c3ccccc3)C2)c2ccc(F)cc2O1 486479040 MPYSRKAACZNADK-SFHVURJKSA-N 421.476 3.912 0 50 HHAA Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cnc4ccccc4c3)C2)cc1 499519663 RADOIHQWQCGKLU-LJQANCHMSA-N 409.555 3.734 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3CCN([C@@H]4CCc5ccccc5C4)CC3)n[nH]2)cc1 825180607 CHJZPFYQTFUHBB-JOCHJYFZSA-N 400.526 3.700 0 50 HHAA COc1ccc(CNC(=O)C2CCN(Cc3cnn(-c4ccccc4C)c3)CC2)cc1 952980843 KZAHAFNNZQIELV-UHFFFAOYSA-N 418.541 3.718 0 50 HHAA CCOCc1cc(CN2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)ccc1OC 1615964664 JZKGPSCCWLKULU-RDPSFJRHSA-N 406.526 3.815 0 50 HHAA COc1cccc(-c2nccn2-c2ccc3c(c2)COC3)c1OCCn1ccnc1 1772813947 CFBLCTJBFYGHKQ-UHFFFAOYSA-N 402.454 3.854 0 50 HHAA CCc1nc(CN2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)n[nH]1 1857703470 RBRLSEFGXJRACL-NRFANRHFSA-N 411.594 3.829 0 50 HHAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)N(C(C)=O)CCC2 1857740486 POANKNZNDSEJLV-QGZVFWFLSA-N 420.513 3.888 0 50 HHAA CCOc1ccc([C@@H]2CCCN2C(=O)C[S@@](=O)Cc2nc3ccccc3[nH]2)cc1 1875320283 NZUSILLTURWINA-WRONEBCDSA-N 411.527 3.574 0 50 HHAA C=CC(=O)N[C@@H]1CN(C(=O)CCCc2cc(C)sc2C)CC[C@H]1C(F)(F)F 1875386835 ZYDGDYJKHIQETJ-HZPDHXFCSA-N 402.482 3.769 0 50 HHAA Cc1cc(C)n2nc(NC(=O)c3ccc(CN4CCc5ccccc5C4)o3)cc2n1 1940194834 VWEVGBICQWCOES-UHFFFAOYSA-N 401.470 3.750 0 50 HHAA Cc1nc(-c2ccc(C(=O)N(C)C[C@H]3Cc4ccccc4CN3C)cc2)ccc1O 2356152119 AVFDMGDVZYZQTJ-JOCHJYFZSA-N 401.510 3.891 0 50 HHAA COc1ccc(OCc2cccc(C(=O)N3N=C(C)C[C@]3(O)C(F)(F)F)c2)cc1 652846 ZXPMLPPSBQPEBT-IBGZPJMESA-N 408.376 3.747 0 50 HHAA Cc1ccc(C)c(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 889772 IHECRBKQQZQPMW-UHFFFAOYSA-N 414.571 3.551 0 50 HHAA COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(Cl)s3)cc2oc1=O 1131853 UKFNHJSTXSMWBE-UHFFFAOYSA-N 406.843 3.794 0 50 HHAA Cc1ccc(CN(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 1154909 AEHROFQWJXFODK-UHFFFAOYSA-N 400.544 3.507 0 50 HHAA O=C1[C@H](Oc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1Cc1ccc2c(c1)OCO2 2862331 WELZJIPTOGHIJL-DHIUTWEWSA-N 417.417 3.675 0 50 HHAA Cc1ccccc1OCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 4017270 UVUWJOWQHICLOX-UHFFFAOYSA-N 404.422 3.712 0 50 HHAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1 4502477 VPTROVSXAUOQQD-CQSZACIVSA-N 408.907 3.742 0 50 HHAA COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c(OC)c1 4996212 MAIHAPBSSQWVEP-HNNXBMFYSA-N 418.515 3.519 0 50 HHAA O=C(NCCc1ccccn1)[C@H]1CC12CCN(C(=O)/C=C/c1ccc(Cl)cc1)CC2 11912784 BLEYPUZWIHNYCG-VHTFYLNKSA-N 423.944 3.736 0 50 HHAA CC(C)CN1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)Nc2ccc(Cl)cc2)C1 12124402 JYWBRRIAIMIYBK-GHTZIAJQSA-N 407.986 3.737 0 50 HHAA COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)CSC)C3)cc1 14991183 ZBTBTXASGBWJEY-INIZCTEOSA-N 405.903 3.576 0 50 HHAA CC(C)=CCC[C@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 15000424 WWIKWSYPAUSTHD-NRFANRHFSA-N 423.605 3.800 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(C)c3)n2)ccc1C 16651937 DEUAZIGVZZSCFB-UHFFFAOYSA-N 418.497 3.823 0 50 HHAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1 17082533 HARSQXNEJZAUNS-SFHVURJKSA-N 402.560 3.715 0 50 HHAA Cc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cccc(C)c3n2)cc1C 20418364 AAVXNEBAIVGOKI-UHFFFAOYSA-N 403.526 3.889 0 50 HHAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCC(Cc2ccccc2)CC1 44903520 UOTPNIWKRZQPFO-UHFFFAOYSA-N 405.473 3.531 0 50 HHAA Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1C 101224751 OGENYZWLZJBAJK-OYRHEFFESA-N 417.461 3.799 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCCN1Cc1ccc2nsnc2c1 200553100 QATMBPKLQVITRG-NRFANRHFSA-N 418.526 3.870 0 50 HHAA COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)nc(N2CCCC2)c1 241316834 LVGNGHATCOHGGU-OAHLLOKOSA-N 401.894 3.539 0 50 HHAA CCc1c(C(F)(F)F)noc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 408514118 ILAKTMGYTCZQCZ-GFCCVEGCSA-N 413.371 3.886 0 50 HHAA COc1cccc(-c2ccc(C(=O)N3C[C@@H]4[C@H](CN(C)C)[C@H]5CC[C@]4(C3)O5)cc2)c1 1857712828 URWCJXHXFDEMRC-XJTUCQONSA-N 406.526 3.543 0 50 HHAA Cc1csc(C2(NC(=O)c3cnn4c(-c5ccccc5)ccnc34)CCOCC2)n1 1875262607 FZAUGYYZHUCYLI-UHFFFAOYSA-N 419.510 3.597 0 50 HHAA Cc1cnc(C2(NC(=O)Nc3cccc(-c4noc([C@@H]5CCCO5)n4)c3)CCC2)[nH]1 2325854257 VIHVFXVBPZOCGX-INIZCTEOSA-N 408.462 3.821 0 50 HHAA Nc1c(Br)cc(C(=O)OCC(=O)c2ccccc2)cc1Br 1022142 BFPLJDBTUHFTKR-UHFFFAOYSA-N 413.065 3.834 0 50 HHAA Cc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 1126100 RXTAFHFBYRSNOA-UHFFFAOYSA-N 423.538 3.711 0 50 HHAA O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 4179248 XPQRTZDIRPPNBW-FCHUYYIVSA-N 406.526 3.811 0 50 HHAA Cc1cc(OCc2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)o2)ccc1Cl 6527805 SEOWDNKQWJCNNS-INIZCTEOSA-N 402.756 3.903 0 50 HHAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCc4c(C)nn(C)c4C)C3)C2)c1 11948159 IKLPMBQMSIWNOA-RUZDIDTESA-N 408.590 3.793 0 50 HHAA COc1cc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc(OC)c1O 12092951 VNQPVTCILDKDOB-JOCHJYFZSA-N 405.922 3.880 0 50 HHAA COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3OC)C2)cc1 12200026 DEOCAPJBMZJODN-RTWAWAEBSA-N 414.571 3.964 0 50 HHAA CC(C)c1ccc(-c2nc(CC(=O)N3CCN(c4ncccn4)CC3)cs2)cc1 12322293 VMRGYGKIZAJGSS-UHFFFAOYSA-N 407.543 3.615 0 50 HHAA COC[C@@H](C)NC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C1CC1 12572007 QFRYCIYBICPXSM-GFCCVEGCSA-N 411.531 3.650 0 50 HHAA CN1CCCN(C(=O)[C@H]2CC23CCN(C/C(Cl)=C/c2ccccc2)CC3)CC1 14953934 BGKCSEGBOWRPAW-OYQOIYBLSA-N 401.982 3.533 0 50 HHAA O=C(c1ccc(Cl)cc1)N1CCOc2ccc(CN3CCCC[C@H]3CO)cc2C1 14970800 RHLAEWOQNVYLFH-NRFANRHFSA-N 414.933 3.722 0 50 HHAA C[C@H](CN1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1)c1ccccc1 15066200 LZJNBBJFEWDGHK-OAQYLSRUSA-N 420.601 3.678 0 50 HHAA Cc1ccccc1CN1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 19143835 HHYWISDZPYYVPE-JOCHJYFZSA-N 406.574 3.731 0 50 HHAA CNC(=O)[C@@H]1C[C@H](NCc2cccc3ccccc23)CN1Cc1ccc(Cl)cc1 32565271 RHFXVWUFONTTEM-GMAHTHKFSA-N 407.945 3.972 0 50 HHAA Cc1nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc(-n2ccnc2)n1 67612417 BJQSUCWCZLELJQ-UHFFFAOYSA-N 424.508 3.600 0 50 HHAA CC(C)(C)OC(=O)N1CCC2(CC[C@H](CO)N2C(=O)OCc2ccccc2)CC1 110915239 MEMQNTUNMQJOEX-GOSISDBHSA-N 404.507 3.550 0 50 HHAA in-vitro Cc1ccc(N(C)C(=O)Cc2csc(N3CCCC3=O)n2)cc1Br 170599882 RQFXYTAACMORDH-UHFFFAOYSA-N 408.321 3.546 0 50 HHAA C[C@H]1[C@H](C)CCC[C@H]1N(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cccnc1 241124218 JGLODEHLJBUCJW-JTDSTZFVSA-N 402.516 3.826 0 50 HHAA C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)NCc1ccco1)c1ccc(Cl)cc1Cl 248382520 XDURGZZLWDJFDV-ACJLOTCBSA-N 424.328 3.544 0 50 HHAA O=C(CCc1ccc2ccccc2n1)NCC(=O)N1CCC(Cc2ccccc2)CC1 486511860 WXGZRVWWSXUDSA-UHFFFAOYSA-N 415.537 3.765 0 50 HHAA CN(C)[C@H]1Cc2ccccc2N(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1 731468514 OQOZNWWWGXJJLU-QFIPXVFZSA-N 414.505 3.816 0 50 HHAA Cc1sc(-c2ccno2)cc1S(=O)(=O)NC[C@@H]1CCN(c2ccccc2F)C1 1506403548 CFLHQBVGLRYGHP-AWEZNQCLSA-N 421.519 3.655 0 50 HHAA O[C@H](CN1CCCC[C@H]1c1ccc(F)cn1)CN1CCCC[C@@H]1c1ccc(F)cn1 2325706474 UBDFEQVTTGYNET-QYEXWFEISA-N 416.516 3.870 0 50 HHAA Cc1ccc(C)c(-c2nc(NC(=O)c3ccc(=O)n(-c4cnn(C)c4)c3)sc2C)c1 2325735667 GXENDKRJBBQKPL-UHFFFAOYSA-N 419.510 3.872 0 50 HHAA Cc1cnc(C)c(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2cccc(F)c2)n1 2356136460 VRVSBTRHASMRAF-WAGURGNTSA-N 408.521 3.681 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC1)OCC2 2356146660 PFEGZNSUESPAOG-UHFFFAOYSA-N 406.404 3.813 0 50 HHAA CC(C)(C)NC(=O)c1cc(C(=O)NC(C)(C)C)cc(N2C(=O)c3ccccc3C2=O)c1 819793 MKJFXYVRIOIFKK-UHFFFAOYSA-N 421.497 3.544 0 50 HHAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC)cc1 870524 HNIIPQZRHIOPTF-UHFFFAOYSA-N 410.499 3.873 0 50 HHAA CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(NC(C)=O)cc1 921293 GDZOOEYZNOTKPN-UHFFFAOYSA-N 407.426 3.900 0 50 HHAA Cc1ccc(NC(=O)CSc2nnc(N3C(=O)c4ccccc4C3=O)s2)c(C)c1 1444036 AENPIVRSUPXVCN-UHFFFAOYSA-N 424.507 3.686 0 50 HHAA C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)c2ccccc2)n1C 2868513 JNCZHRABLLAZPH-CYBMUJFWSA-N 414.918 3.935 0 50 HHAA Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 2938357 FZALUYIWLWZKNW-UHFFFAOYSA-N 414.571 3.738 0 50 HHAA COC(=O)c1cccc2c1oc1c(C(=O)OC)cc(I)cc12 4557335 POPQCYFMCPBZIP-UHFFFAOYSA-N 410.163 3.764 0 50 HHAA COC(=O)COc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 6668314 ZBQMRCOJHRXJSL-UHFFFAOYSA-N 418.493 3.879 0 50 HHAA COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)CCc4cnn(C)c4)C3)ccc2c1 11879071 AUIDFNWAWMJFEY-NRFANRHFSA-N 405.498 3.636 0 50 HHAA CC[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)C2CCCCCC2)n1CCOC 11936143 UERXMOQBFCWUHY-GOSISDBHSA-N 411.612 3.791 0 50 HHAA Cc1c(CN2CCC(CCC(=O)N3CCOCC3)CC2)[nH]c2c(Cl)cccc12 12026034 KLDXZJCNDOEAFV-UHFFFAOYSA-N 403.954 3.981 0 50 HHAA COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)CCc3c(C)nn(C)c3C)C2)cc1C 12194197 QSZWPBYJYVLLQP-IBGZPJMESA-N 411.546 3.716 0 50 HHAA CCC(CC)Nc1cnc2c(c1)c(NC(C)=O)c(C(=O)OC)n2C[C@H]1CCCO1 14537346 LBIBOPOQNVXLFH-MRXNPFEDSA-N 402.495 3.561 0 50 HHAA O=C1CCN(C2CCN(CCc3ccccc3)CC2)CCN1Cc1ccc(F)cc1 19225591 LOKNCSJDDZMSMY-UHFFFAOYSA-N 409.549 3.567 0 50 HHAA COC(=O)c1c(Cl)c(C2CC2)nc2c1c(=O)[nH]c(=S)n2-c1ccccc1OC 20615342 GHEYNVPPORDVAX-UHFFFAOYSA-N 417.874 3.769 0 50 HHAA O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1cc(Cl)ccc1Cl 38783844 LCIWJSYQZQJCAJ-UHFFFAOYSA-N 400.147 3.754 0 50 HHAA C[C@@H](CN1CC2(CCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O)c1ccccc1 72426659 LCZURGNBKGLBAW-SFHVURJKSA-N 408.546 3.888 0 50 HHAA CN1CCN(c2ncccc2CNC(=O)c2ccc(-c3ccccc3Cl)o2)CC1 116000706 AOCCOCMWAOKLEH-UHFFFAOYSA-N 410.905 3.677 0 50 HHAA C[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)C(=O)c1ccccc1 136560790 FEBOCRRUVMFSJR-CCTJXGJQSA-N 417.461 3.650 0 50 HHAA CCS(=O)(=O)c1ncc(CN2C[C@H]3CCC[C@@H]2C3)n1CCCc1ccccc1 137896741 XNYXIXGSIDXNLZ-VQTJNVASSA-N 401.576 3.684 0 50 HHAA Cc1ccc(C(=O)COc2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)c2)cc1 239403115 RNDYWWHMPXGAFG-MAMHMVEESA-N 413.473 3.814 0 50 HHAA Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(N4C[C@H](C)O[C@@H](C)C4)ccn3)[C@H](C)CO2)c1 242273833 YGCYAZVOHWKQFF-XUJKJYMVSA-N 423.557 3.914 0 50 HHAA COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)c1 245312555 VVZSTPFSPDKUIM-YPAWHYETSA-N 418.424 3.885 0 50 HHAA Cc1nn(C)c(C)c1[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 253183446 KZDHKUMGCCRKOV-NRFANRHFSA-N 405.454 3.701 0 50 HHAA O[C@H](c1ccncc1)c1ccc2c(c1)CN(Cc1cc3c(cc1Cl)OCO3)CCO2 299777937 OEPHGLALTUYRHW-HSZRJFAPSA-N 424.884 3.940 0 50 HHAA COc1ccc(C(=O)[C@H](NCCCNc2ccccc2)c2oc(C)cc(=O)c2O)cc1 1776111492 BNDXXJAEOWGZNA-NRFANRHFSA-N 422.481 3.678 0 50 HHAA C[C@H](C(=O)N(C)CCCN(C)C(=O)c1nc2cccnc2s1)c1ccc(F)cc1 1875354605 KQHJYZOBDQSAJT-AWEZNQCLSA-N 414.506 3.555 0 50 HHAA C[C@]1(c2cccc(NC(=O)c3cc(Cl)c(Br)cn3)c2)COC(=O)N1 2325876007 IDVNHFDVTFIFTL-MRXNPFEDSA-N 410.655 3.705 0 50 HHAA O=C(c1ncccc1O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2CC1CCCCC1 2356162227 CJWCXFLFWNHRJT-FYQPLNBISA-N 411.546 3.599 0 50 HHAA COC(=O)c1ccc(O[C@H](C(=O)Nc2cc(N)ccc2Cl)C(=O)C(C)(C)C)cc1 642121 AJPDYXHATAXPGQ-KRWDZBQOSA-N 418.877 3.710 0 50 HHAA CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@@H]1c1ccc(Cl)cc1 1422134 OFFZKTJNQXZMNU-HXUWFJFHSA-N 411.889 3.574 0 50 HHAA aggregator Cc1cc(F)ccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2857746 VDKRSOCBUQHXNY-UHFFFAOYSA-N 417.491 3.534 0 50 HHAA COc1cc(C(=O)NCCOc2cccc(C)c2)c(Br)c(OC)c1OC 2999852 CGFMCRWFPIUWJE-UHFFFAOYSA-N 424.291 3.592 0 50 HHAA O=C(O)CCCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 6668299 UAIMVOOPXONAJG-JOCHJYFZSA-N 400.906 3.829 0 50 HHAA CC(C)(CN1CCOCC1)CN1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 11818544 NXFFABJVDABGQX-DEOSSOPVSA-N 421.576 3.611 0 50 HHAA CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3ccc(OC)c(O)c3)CC2)[C@H]1OC 12053499 SOEJSBUSRGXDOP-RPWUZVMVSA-N 424.541 3.531 0 50 HHAA CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3ccc(OC4CCCC4)cc3)C2)CC1 12072555 JMUUVSQBKAAQEE-NRFANRHFSA-N 413.606 3.774 0 50 HHAA CO[C@H](c1ccccc1)c1nnc(CCC(=O)NCc2nc3ccccc3s2)o1 12197944 VTBJMXQWZAHCQH-HXUWFJFHSA-N 408.483 3.664 0 50 HHAA COc1cccc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCC(C)C)c1 14746509 LKKNXCORUABFMF-UHFFFAOYSA-N 415.578 3.996 0 50 HHAA Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4cc[n+]([O-])cc4)CC3)cc2)c1 14960225 MEKRDGSCVMLFFQ-UHFFFAOYSA-N 415.493 3.786 0 50 HHAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 15071188 HDWVKLPPMOXAQR-JOCHJYFZSA-N 424.504 3.992 0 50 HHAA COc1ccc(-c2n[nH]cc2CN[C@H]2CCCN(Cc3cccc(OC)c3)C2)cc1 23372901 CIMPGRXENNMVJG-NRFANRHFSA-N 406.530 3.848 0 50 HHAA COc1ccc(-c2nc(CN3CCN(c4ncnc5ccccc45)CC3)c(C)o2)cc1 55270323 NGDPFYSHHSYBGY-UHFFFAOYSA-N 415.497 3.924 0 50 HHAA COc1cccc(N2CCC[C@@H](NC(=O)c3sc(-c4ccccn4)nc3C)C2)c1 170629817 NXAAHSKGUDRQDJ-MRXNPFEDSA-N 408.527 3.921 0 50 HHAA CCCNC(=O)c1cccc(C(=O)N(CC(=O)O)Cc2ccc(C(F)(F)F)cc2)c1 236877102 ANYGHJCGWGBGCR-UHFFFAOYSA-N 422.403 3.572 0 50 HHAA CS(=O)(=O)N1CCC(CNCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 237376228 CPQMHEPENTXLFU-UHFFFAOYSA-N 416.465 3.727 0 50 HHAA CN(c1ncc(S(N)(=O)=O)s1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 252511527 HRFVSCMIRSDHSC-QWHCGFSZSA-N 405.467 3.582 0 50 HHAA CC(C)(C)OC(=O)N1CCC(/C=C(\NC(=O)OCc2ccccc2)C(=O)O)CC1 261507139 FWHAVCGWXDBPRC-LGMDPLHJSA-N 404.463 3.528 0 50 HHAA CCC(=O)N1CCC(C(=O)N(CCOc2ccc(Cl)cc2)Cc2ccco2)CC1 822529713 QKHMSJXFXVFGMF-UHFFFAOYSA-N 418.921 3.989 0 50 HHAA O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 888105587 VZQJRMWZZMGLIR-BVAGGSTKSA-N 404.554 3.861 0 50 HHAA CCC(=O)c1ccccc1NC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 1438205844 BXASXFHGFGTXSV-GOSISDBHSA-N 410.495 3.636 0 50 HHAA Cc1ccc(C)c(OCC(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1C 1704350370 IUCJAPZYONLLLH-OFNKIYASSA-N 404.510 3.601 0 50 HHAA COc1cc2c3c(c1)[C@]1(CN(C)C[C@@H]1C(=O)c1ccccc1)C(=O)N3C(C)(C)C=C2C 1857526113 MPUCDMGMQBYKQU-RLWLMLJZSA-N 416.521 3.920 0 50 HHAA CCc1nc(CNCc2c[nH]nc2-c2ccc(Br)cc2)ccc1C(=O)O 2325851815 KLXRNFHYFUAYSB-UHFFFAOYSA-N 415.291 3.785 0 50 HHAA O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1N=C(C(F)F)C[C@]1(O)C(F)F 653821 RDQIOVYSZWAQHL-KRWDZBQOSA-N 420.746 3.933 0 50 HHAA Cc1cc(C)n(Cc2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)o2)n1 2800538 BNRPLNKYRORDIT-UHFFFAOYSA-N 410.441 3.585 0 50 HHAA Cc1ccc(S(=O)(=O)NCCSCc2ccc(Br)cc2)cc1 2834744 OXNDIZWRBVVREZ-UHFFFAOYSA-N 400.363 3.969 0 50 HHAA CCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 2858003 ZVZOBCYCUNPSJG-QFIPXVFZSA-N 416.477 3.843 0 50 HHAA COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3)o2)c1C 3543080 DVXKUYWGWIMUKM-UHFFFAOYSA-N 401.488 3.785 0 50 HHAA CCCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 4910349 KGGXZVXBJRQWOX-MRXNPFEDSA-N 415.486 3.836 0 50 HHAA Cc1cc(Br)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C 5041362 JSBRFQSNYXQDKW-UHFFFAOYSA-N 403.386 3.653 0 50 HHAA CC(=O)N1C(=O)[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c2ccccc21 5495318 LFXYWSULDJWCCX-DHLKQENFSA-N 409.445 3.976 0 50 HHAA CCCn1c(SCC(=O)Nc2sc(CC)cc2C(=O)OC)nnc1C1CC1 6400228 WBSXINXWFOCOOX-UHFFFAOYSA-N 408.549 3.707 0 50 HHAA CSc1ccc(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)cc1 11701365 MPMIVLJIODUEGT-GOSISDBHSA-N 417.552 3.895 0 50 HHAA Cc1nc(N2CCC[C@H]2C(=O)N(C)Cc2nc3ccccc3[nH]2)nc2ccc(F)cc12 11789506 WLNHWXRWKUUGKF-FQEVSTJZSA-N 418.476 3.581 0 50 HHAA O=C(NCCN1CCCC1)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 12385290 ROAIOLONBUWJNX-UHFFFAOYSA-N 419.997 3.951 0 50 HHAA CN(CCCC1CCCC1)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12748350 AIDCLBUYYQXFAX-OAQYLSRUSA-N 403.611 3.528 0 50 HHAA COC(=O)CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 14965462 XTHRQWKMKQLVJK-FQEVSTJZSA-N 408.498 3.792 0 50 HHAA Cc1ccccc1-c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)c(N(C)C)n1 15069534 PKQPAVMZAZHOOL-KRWDZBQOSA-N 403.482 3.693 0 50 HHAA COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1-c1ccc(OC)cc1CC2 17082647 QKHXLBSAUCQLQM-UHFFFAOYSA-N 403.456 3.502 0 50 HHAA CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(CC)nn43)c2=O)[nH]1 19821307 SFJKITXGCUSAIS-UHFFFAOYSA-N 419.876 3.597 0 50 HHAA CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](N(C)Cc1cscn1)C3 20450587 DGKIKHVTBQZXSG-OAHLLOKOSA-N 402.589 3.950 0 50 HHAA COC[C@H]1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 23399116 XNOAZVIRPOFPFD-QFIPXVFZSA-N 422.569 3.881 0 50 HHAA CCS(=O)(=O)c1ncc(CN2CCC[C@H]2c2ccccn2)n1CCc1ccccc1 55154472 XTVYCYVYBQCFKD-QFIPXVFZSA-N 424.570 3.652 0 50 HHAA O=C(CC[C@@H]1CCCN(Cc2cncn2C2CC2)C1)NCc1ccc(F)c(F)c1 95501132 GOZTYOLDBPZTKM-INIZCTEOSA-N 402.489 3.805 0 50 HHAA CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 170640305 UYIXSMGFFKBCKE-YWZLYKJASA-N 400.475 3.684 0 50 HHAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl 248127709 XLFAAFRPYYNEII-DVOMOZLQSA-N 400.350 3.805 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)Cc3ccccn3)csc2C1 426498785 XKEIZISHFSIAJK-AWEZNQCLSA-N 410.543 3.667 0 50 HHAA Cc1cc(COc2ccc3c(c2)CCOC32CCN(C(=O)C3CC=CC3)CC2)nn1C 1857667842 UQCZLPWWPDNQNW-UHFFFAOYSA-N 421.541 3.664 0 50 HHAA O=C(N[C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C(F)(F)c1cnc(O)nc1O 1875257259 FEUNBDSSKWDIBP-RNCFNFMXSA-N 418.227 3.739 0 50 HHAA Nc1ncc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1Cl 2325703883 SEQRNHQUNPVBOC-GFCCVEGCSA-N 401.829 3.526 0 50 HHAA Cc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)OCCc3ccsc34)CC2=O)cc1C 2356162165 AHDGOYWRLATTIY-IBGZPJMESA-N 424.566 3.808 0 50 HHAA COc1ccc(CN2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)cc1 2356166711 KPMRMYKREIBDNC-UHFFFAOYSA-N 402.498 3.733 0 50 HHAA O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CCCC1 824462 WVMOTEASMBSDTJ-UHFFFAOYSA-N 413.326 3.811 0 50 HHAA COc1ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c(OC)c1OC 886004 ZKCHLWAFYYSTMI-GOSISDBHSA-N 412.471 3.789 0 50 HHAA CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@H]12 1156076 ALOBHKZKIFYQSA-UBFBPUDLSA-N 409.441 3.956 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(c3cc(C(F)(F)F)ncn3)CC1)OCC2 2356142104 DSNRQMUZLGTKOJ-UHFFFAOYSA-N 409.408 3.581 0 50 HHAA COCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 2734306 KIICHFXHHOLRIU-UHFFFAOYSA-N 404.801 3.506 0 50 HHAA C[C@H](Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 2856194 PVAZOFMKZIFWSN-LBPRGKRZSA-N 400.891 3.587 0 50 HHAA CC(C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 2946427 RNRRZMWOVXJSPM-UHFFFAOYSA-N 415.342 3.709 0 50 HHAA CC1(C)CC(NC(=O)COc2ccc(Br)cc2Cl)CC(C)(C)N1 4755091 UNEBIHOEVVPBGT-UHFFFAOYSA-N 403.748 3.907 0 50 HHAA COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 4869902 DWEKKCYEXJVMQR-CYBMUJFWSA-N 401.850 3.791 0 50 HHAA Cc1csc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)n1 6690962 CHCSBMYAOMGGFD-UHFFFAOYSA-N 408.508 3.881 0 50 HHAA CCc1noc(C)c1C(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55343300 HUIHQQAWHKTCOU-IBGZPJMESA-N 416.953 3.626 0 50 HHAA O=C([C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1)N1CCC(F)CC1 67654830 HFAVMZIUQOQLNG-SFHVURJKSA-N 408.521 3.809 0 50 HHAA Cc1nn(CC(=O)Nc2ccc(Br)c3cccnc23)c(=O)c2ccccc12 973910 RQIJGNXFPACUFP-UHFFFAOYSA-N 423.270 3.654 0 50 HHAA COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@@H]2C(N)=O)cc1OC 72421560 DDAYVCCBRHHILS-HXUWFJFHSA-N 405.498 3.677 0 50 HHAA C[C@@H]1CCc2c(sc3nc(SC[C@@H]4CCOC4)n(C[C@H]4CCCO4)c(=O)c23)C1 230175956 VCJPBWHZLWANPR-RBSFLKMASA-N 420.600 3.890 0 50 HHAA COc1ccccc1[C@H]1CN(CC(=O)N[C@@H]2CCOC(C)(C)C2)Cc2ccccc2O1 19111433 RXYARSGZTQJRLT-AUSIDOKSSA-N 424.541 3.705 0 50 HHAA COc1ccc(-c2cn(CC(=O)c3ccc(Br)cc3)c(=N)n2C)cc1 334157484 AEHLNZCGBFLESQ-UHFFFAOYSA-N 400.276 3.627 0 50 HHAA C[C@H]1CCCN(CCOc2ccccc2CN2CCC(O)(c3ccccn3)CC2)C1 822413182 PTEBMIOCHJFNPJ-NRFANRHFSA-N 409.574 3.676 0 50 HHAA COc1ccc(CCN2CCC(CN(C)C(=O)CSc3ccccn3)CC2)cc1 11937673 XQBGPYPHTQWENM-UHFFFAOYSA-N 413.587 3.595 0 50 HHAA O=C(c1ccncc1)N1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2ccccc2Cl)C1 12034327 BZAHWPONERRQMA-WKQNUPFUSA-N 409.917 3.902 0 50 HHAA Cc1cnc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)Nc2ccc3sc(C)nc3c2)cn1 12126463 DZULUWBHEYWERZ-INIZCTEOSA-N 421.526 3.584 0 50 HHAA Cc1ccc(F)cc1CN[C@@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 14742622 UONFGFVQEGDEDG-OAQYLSRUSA-N 420.532 3.728 0 50 HHAA O=C(NCc1cccnc1)c1ccc(N2CCC(NCc3cccs3)CC2)cc1 14988961 LUZJARVGPZTWLB-UHFFFAOYSA-N 406.555 3.832 0 50 HHAA C[C@@H](CCn1cccn1)N1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 15066918 WVFTXZBLNXCOBX-FQEVSTJZSA-N 410.562 3.831 0 50 HHAA COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4cc(Cl)ccc4F)C3)[nH]n2)cc1 169754311 KAHBOHZBHSMHIH-HNNXBMFYSA-N 414.868 3.887 0 50 HHAA Cc1ccccc1C(=O)N1CCC2(CC1)NC(c1ccc(Br)cc1)=NO2 169755052 ZRLIVLUTRYFTPA-UHFFFAOYSA-N 414.303 3.671 0 50 HHAA COc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(Cl)cc4)nn23)cc1F 169778485 FYMSTBKABHRFEO-UHFFFAOYSA-N 411.824 3.522 0 50 HHAA Cc1cnc(CN2CCCC(=O)N3CCCC[C@@H]3CCc3cccc(c3)OCC2)cn1 1857710988 GAPYRADZLIITHP-HSZRJFAPSA-N 422.573 3.774 0 50 HHAA C[C@H](OC[C@@H](O)CN1CCN(c2ccncc2Cl)CC1)c1ccc(Cl)cc1 1875253082 QFNRSUWDTAOHSZ-YJBOKZPZSA-N 410.345 3.649 0 50 HHAA CC[C@@H](C[C@H](C)CO)NC(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1 1875264439 AEPZZLOLKGZCOU-WFASDCNBSA-N 405.520 3.690 0 50 HHAA COC(=O)c1cc(Br)c2ncc(CNC[C@H](C)c3cccs3)n2c1 2325850299 UGVSQHWHEWJOLP-NSHDSACASA-N 408.321 3.838 0 50 HHAA COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)nc1 1473770296 ZPTRFHFJVFXSDB-NEPJUHHUSA-N 424.423 3.745 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc(Cl)c1Cl 1117431 YHZSJWBKFOUSIF-UHFFFAOYSA-N 409.241 3.676 0 50 HHAA COc1ccc(/C=C2\SC(=O)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 1207667 NCIAAHZCPKAXSV-AQTBWJFISA-N 421.478 3.734 0 50 HHAA O=C(NCc1ccccn1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 2873173 KSMBIMAHEWVJOT-NVXWUHKLSA-N 401.392 3.868 0 50 HHAA COc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1Cl 6073651 UFTITICXIHIVKQ-UHFFFAOYSA-N 422.312 3.923 0 50 HHAA Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 6700627 RQLSRLFVDLPILU-ZDUSSCGKSA-N 400.422 3.807 0 50 HHAA COc1ccc(OCc2nc3c4c(C)c(C)n(Cc5cccnc5)c4ncn3n2)cc1 9419042 ODUKEVWKCBZFPD-UHFFFAOYSA-N 414.469 3.727 0 50 HHAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 11935616 PLOKJFGRMHEJKG-OAQYLSRUSA-N 418.476 3.904 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)c(OC)c1 12307675 SHPMMJCTFKAWSG-SFHVURJKSA-N 405.498 3.984 0 50 HHAA COc1cc(C(=O)N(C)CCOc2ccc(C)cc2)ccc1OC1CCN(C)CC1 12763939 JSFPBAQHWDEANZ-UHFFFAOYSA-N 412.530 3.628 0 50 HHAA CCn1nc(C)cc1C(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 14963022 OIMRPSWJOYIWAJ-KRWDZBQOSA-N 400.498 3.930 0 50 HHAA O=C(Nc1nn(CC(F)(F)F)c2cccc(Oc3cccnc3)c12)c1cc[nH]n1 72410904 SXZFOCGSGOZWHQ-UHFFFAOYSA-N 402.336 3.761 0 50 HHAA Cc1ccc(Nc2ccc(NCCNC(=O)c3ccc(C(F)(F)F)cc3)nn2)nc1 72434199 GCNTUEUAIGGYIA-UHFFFAOYSA-N 416.407 3.784 0 50 HHAA Cc1cc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c2ccc(F)cc2n1 72473859 RQAROHPRKHFYMI-NRFANRHFSA-N 403.501 3.998 0 50 HHAA O=C1C[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1cccc(Cl)c1 100637733 ZSANMKJFUSSBOP-LJQANCHMSA-N 408.889 3.728 0 50 HHAA O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2ncsc2C(F)(F)F)cc1 170614556 SVPPBEGKIDCOPM-LBPRGKRZSA-N 414.409 3.715 0 50 HHAA CC[C@H](N[C@@H](C)c1nnc(-c2ccccc2F)s1)c1cccc(S(N)(=O)=O)c1 170616890 PTQICLHGDRUWCO-SJCJKPOMSA-N 420.535 3.794 0 50 HHAA Cc1cccc(Oc2ccc(NC(=O)Cn3c(=O)cnc4ccccc43)cn2)c1C 170627126 SBNVVQKTIGPOHI-UHFFFAOYSA-N 400.438 3.839 0 50 HHAA O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CC(c2cc(F)ccc2F)=NO1 225421809 PRZNALJFJMOSOL-IWMITWMQSA-N 400.425 3.742 0 50 HHAA C[C@H](NC(=O)CNC(=O)c1cc2c(s1)CCCC2)c1nc(C(F)(F)F)cs1 225613081 ZTIHKPYZYSALPY-VIFPVBQESA-N 417.478 3.709 0 50 HHAA Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H](CO)CCC(C)(C)C 478592887 OUCRCMYOWYUORD-HNNXBMFYSA-N 408.340 3.860 0 50 HHAA O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCN(Cc2ccco2)CC1 952966450 UDJSBQDOFLZLSJ-UHFFFAOYSA-N 415.965 3.926 0 50 HHAA CN(CC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1)C1CCCC1 1704302610 AGECDKFQTNCXMY-RUZDIDTESA-N 404.558 3.824 0 50 HHAA O=C1CCCc2cc(S(=O)(=O)N(CC3CC3)C3Cc4ccccc4C3)ccc2N1 1776005593 KYFPXODNMJSNRT-UHFFFAOYSA-N 410.539 3.530 0 50 HHAA Cc1cc(=O)oc2cc(Oc3ccc4nnc(Br)n4n3)c(Cl)cc12 1875338626 FBSBXHTXKZJDPN-UHFFFAOYSA-N 407.611 3.747 0 50 HHAA CC(C)[C@@H]1CCc2sc(C(=O)NS(=O)(=O)Cc3noc4ccccc34)cc2C1 1875354721 MZDSCQHECZYPII-CYBMUJFWSA-N 418.540 3.910 0 50 HHAA Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CCC[C@@]2(CNC(=O)C2)C1 2325720179 BDQILKRIGNZGQN-HXUWFJFHSA-N 407.345 3.649 0 50 HHAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(I)cc1 1204212 KOLHJAIDBXSXRX-OAHLLOKOSA-N 411.195 3.590 0 50 HHAA C[C@H](OC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)c1ccccc1 100603655 YJYHXTHZKFWVIC-RYQLBKOJSA-N 403.434 3.570 0 50 HHAA COc1ccc(CN2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)cc1O 23358939 XPGPAKLIAHRHIX-FQEVSTJZSA-N 414.546 3.557 0 50 HHAA Cc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(N2CCCCC2)n1 67602127 OKHFDIJNNCUWGY-UHFFFAOYSA-N 415.541 3.891 0 50 HHAA O=C(Nc1ccc(Br)cc1Cl)N1CCN(Cc2ccccn2)CC1 13328357 VTXQVDZXESEDOG-UHFFFAOYSA-N 409.715 3.847 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc(=O)c2c(C)cc(C)nc21 20214933 LABZXYXHCQGAME-UHFFFAOYSA-N 420.897 3.952 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(Cl)cc4)ccn3n2)cc1 263619241 XQEHYFVIUJSPEZ-NRFANRHFSA-N 409.873 3.949 0 50 HHAA Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@H]1c1ccc(CN(C)C)cc1 952977659 CUTOXTPFGGWQKK-SFHVURJKSA-N 415.515 3.830 0 50 HHAA CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nncs2)CC1 886024160 OKTRHZCAACPPLC-BZSNNMDCSA-N 400.548 3.667 0 50 HHAA C[C@@H](NC1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(-c2ccncc2)cc1 170615988 QHXMOCUGTAFEAE-QGZVFWFLSA-N 413.529 3.745 0 50 HHAA Cc1nc(C)c(CN2CCC[C@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)nc1C 11820120 YDEAGFNIGFKKBC-IBGZPJMESA-N 404.518 3.643 0 50 HHAA COc1ccc(/C=C/CN2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)cc1 12023015 DLVIKHXTOVHJAD-ZZNNXKBLSA-N 410.514 3.745 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)Cc1cccs1 12072366 BOHHSKHQPFPQTO-UHFFFAOYSA-N 416.587 3.686 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)[C@H]2CCOC2)CC1 12441837 FVSRMBXBXSGPDY-DEOSSOPVSA-N 407.558 3.667 0 50 HHAA CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)CCn2ccc(C)n2)C1 14962568 HTBSTRIOZMOWCG-IWXKUNQBSA-N 409.530 3.857 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)n2)ccc1C 16650634 RINPVUNRECMIRC-UHFFFAOYSA-N 418.497 3.939 0 50 HHAA COc1ccc2oc(N3CCC[C@H](CC(=O)N(C)Cc4cccc(O)c4)C3)nc2c1 1857671564 VIWSKMHQDTURFO-QGZVFWFLSA-N 409.486 3.807 0 50 HHAA O=C(CCCc1cn[nH]c1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857696703 MEGONSXUUXNUPI-HSZRJFAPSA-N 424.589 3.831 0 50 HHAA CCC[C@H](CO)N1CCN([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 1875254086 XTFIWXMSZUQSCA-PZJWPPBQSA-N 411.546 3.585 0 50 HHAA O=C(N[C@H](CO)c1c(F)cccc1F)c1cc(-c2ccccc2)n(-c2ccccn2)n1 2325721289 RKNSTHPHKINXHY-LJQANCHMSA-N 420.419 3.676 0 50 HHAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc(OC)c1OC 706405 LDWHIWCEOJLHJE-LJQANCHMSA-N 418.490 3.606 0 50 HHAA biogenic COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2cccc(C)c2)c(OC)c1 1111744 PMDGAWLQPKXTDW-OAQYLSRUSA-N 420.469 3.636 0 50 HHAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)cc1 1191970 FVCFYJCZOATPLB-KRWDZBQOSA-N 416.275 3.724 0 50 HHAA O=C(NCc1scnc1-c1ccccc1)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 11997797 DMVXTIFFHLCUIC-LJQANCHMSA-N 421.478 3.543 0 50 HHAA Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4nonc4C)CC3)cc2)c1 12057281 LNQMFPOBZVGHBS-UHFFFAOYSA-N 404.470 3.844 0 50 HHAA COc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c1 13009548 PMDJGLAGASBZLP-UHFFFAOYSA-N 416.441 3.675 0 50 HHAA Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1(c3ccccc3)CCCC1)C2 14731615 XAMYXKXOYKRPQB-HXUWFJFHSA-N 406.574 3.615 0 50 HHAA C[C@H]1Cc2ccccc2N1C(=O)CCn1ccc(C(=O)N2c3ccccc3C[C@H]2C)n1 20617380 SCXPCGIYNCFLCJ-ZWKOTPCHSA-N 414.509 3.842 0 50 HHAA COc1ccc(-c2nc(CN3CCNC(=O)[C@@H]3c3ccc(F)cc3)c(C)o2)cc1C 20865114 LTYFXVIXAFBXEX-NRFANRHFSA-N 409.461 3.779 0 50 HHAA Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(O)cc3)C2=O)c1 135896171 QFVMNMQOBFOZIG-FDFHNCONSA-N 400.434 3.752 0 50 HHAA COc1cc(Cl)ccc1C(=O)N[C@@H]1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169754143 UORNHXOJSAORQK-MRXNPFEDSA-N 414.868 3.887 0 50 HHAA COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccc(F)c(Cl)c4)C3)[nH]n2)cc1 169754299 CJGXGMLSTQMKAJ-HNNXBMFYSA-N 414.868 3.887 0 50 HHAA COc1cc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCCN2C3=O)cc(OC)c1 169766014 IQQDXOHMNWGPJO-OAQYLSRUSA-N 409.486 3.748 0 50 HHAA CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)Nc1cc(Cl)ccc1O)=NO2 170595823 AJJAPTVKQLVDIX-UHFFFAOYSA-N 409.870 3.530 0 50 HHAA C[C@H](C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCC(C)(C)C2)S(C)(=O)=O 170603852 PKEKDIATDKSZGZ-LLVKDONJSA-N 415.577 3.590 0 50 HHAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc4c5c([nH]c34)CCCC5)C1)CC2 1704344729 XNVMERSOASHSPS-DEOSSOPVSA-N 401.514 3.539 0 50 HHAA COC(=O)c1ccc(-c2nccn2C23C[C@H]4C[C@@H](CC(n5cncn5)(C4)C2)C3)cc1 1857676965 NMQLOIASOKIBNT-TWVWUCKLSA-N 403.486 3.633 0 50 HHAA C[C@H](Oc1ccccc1)C(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1F)C2 1857687624 WZWXWBSBBXZIDJ-CTWQGKMFSA-N 400.469 3.759 0 50 HHAA Cc1cc(C)n2ncc(-c3nccn3[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)c2n1 1875246832 NTRKMHQHKWBTRG-QGZVFWFLSA-N 406.877 3.841 0 50 HHAA CC[C@H](NC(=O)NCc1nn(C)c2ccccc12)[C@H](O)c1ccc(C(F)(F)F)cc1 1875260095 FQJFTRARHBOCER-QFBILLFUSA-N 420.435 3.904 0 50 HHAA C[C@H](O)c1cnc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)s1 1875260725 ZLERHOWTDGXGBA-RYUDHWBXSA-N 411.453 3.638 0 50 HHAA Clc1ccc(-c2n[nH]c(CCN=c3[nH]n4cc(-c5ccccc5)nc4s3)n2)cc1 1875352923 GJGZDNABNJWRCR-UHFFFAOYSA-N 421.917 3.973 0 50 HHAA O=C(CC12CCC(CC1)OC2)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]2C=CC[C@H](C2)C1 2325872760 LZYRIMJUIACNML-BFBITHGYSA-N 412.574 3.530 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc(=O)c4ccccc4o3)C2)c2cccc(=O)n21 2356159281 UBSUEFJBPDSRFH-JZXOWHBKSA-N 404.466 3.555 0 50 HHAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Br)NC(=S)N1 708996 OFCYTGMXJDUUEA-MRXNPFEDSA-N 402.317 3.881 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)c(Cl)c1 11762021 OTOWPXBLZBLDOQ-UHFFFAOYSA-N 416.949 3.802 0 50 HHAA Cc1cccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)n1 12320026 SZLPEWJFJSABAC-UHFFFAOYSA-N 419.529 3.831 0 50 HHAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)c1 12439064 LUABUYQQMQJSSN-MEDHRJKHSA-N 412.505 3.998 0 50 HHAA CCCOc1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1OCC 13647703 NHDSURKKBJGQMB-ATVHPVEESA-N 413.524 3.615 0 50 HHAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)/C=C/c1ccco1 14969241 BVOGBQUZTUVJLX-YVNCXZRQSA-N 413.537 3.734 0 50 HHAA COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)[C@@H](OC)c3ccccc3)C2)c1 15004154 OZHXSPSIXPSHET-MZYLBHOOSA-N 422.525 3.536 0 50 HHAA Cc1cccc(CN2CCN(Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)n1 19720724 JMENGZJEIACJJD-NRFANRHFSA-N 408.571 3.582 0 50 HHAA CCN(C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1)C1CCOCC1 67804075 XTBNURKNPQRJTK-UHFFFAOYSA-N 401.488 3.813 0 50 HHAA CC[C@H](C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 169684119 IUDLUMDVUPJJRR-PKWAYOAASA-N 410.396 3.800 0 50 HHAA CC(C)N(C(=O)c1cc(N(C)C)nc2ccccc12)c1ccc(CC(=O)N(C)C)cc1 225660669 CWBOHTPFFLDUDF-UHFFFAOYSA-N 418.541 3.987 0 50 HHAA C[C@H]1CN(c2ccc(NC(=O)NC[C@H](c3cccs3)N(C)C)cc2F)C[C@@H](C)O1 229762457 PRPMLKFYHNBGTJ-ZRGWGRIASA-N 420.554 3.925 0 50 HHAA CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2[C@H]2CC(=O)N(C)C2=O)cc1 248060391 UOQRGYIUNXAXSH-XUZZJYLKSA-N 401.510 3.996 0 50 HHAA biogenic CCOC(=O)C1CCN(c2nc(-c3ccc(SC)cc3)ccc2C(=O)O)CC1 299783810 UZUWEADPSNCFLA-UHFFFAOYSA-N 400.500 3.948 0 50 HHAA O=C(Cn1cc(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)cn1)NC1CC1 442295392 RCCKCYBXZXORRB-UHFFFAOYSA-N 418.284 3.716 0 50 HHAA CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCc2ccc(N)nc2)cc1 448544730 YZAWMPRUHMYDPH-UHFFFAOYSA-N 409.877 3.916 0 50 HHAA Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CCc1cncs1 498514935 GHJJRODDQVWUME-HXUWFJFHSA-N 410.543 3.537 0 50 HHAA O=C(N[C@@H](Cc1cccc(Cl)c1)C(=O)O)c1cccc(OCc2cccnc2)c1 1857531526 MDDKZQHFQXSYRB-FQEVSTJZSA-N 410.857 3.740 0 50 HHAA Cc1cc(CN(C)C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)on1 12192361 IYAXODDYYBYSID-UHFFFAOYSA-N 420.513 3.694 0 50 HHAA CSc1ccccc1OCc1cc(C(=O)NCc2cc(C(C)(C)C)[nH]n2)no1 12429256 SIQNKPGQPLTOPS-UHFFFAOYSA-N 400.504 3.926 0 50 HHAA COc1ccccc1-n1c(=O)n(Cc2ccccc2Cl)c(=O)c2c(C)cc(C)nc21 12446470 QAEMBVSZWOHIAF-UHFFFAOYSA-N 421.884 3.875 0 50 HHAA CCn1nc(C)c(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1C 12710338 VUIFVYVOJCZBOJ-UHFFFAOYSA-N 420.561 3.735 0 50 HHAA CCOCc1cc(CN(CC)CC2CCN(C3CCN(C)CC3)CC2)ccc1OC 15073389 FZBXSEHPKGYQBZ-UHFFFAOYSA-N 417.638 3.860 0 50 HHAA Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 16292396 RHFLVFHYTDWJLK-UHFFFAOYSA-N 424.522 3.799 0 50 HHAA CC1(C)[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@@H]1C=C(Cl)Cl 19973801 DNKCFIFHOSXMKJ-KBXCAEBGSA-N 411.329 3.651 0 50 HHAA Cc1csc(CN(C)Cc2ccccc2-c2nc(-c3ccccn3)cc(=O)[nH]2)n1 67804370 NCLKFYAZFOWADD-UHFFFAOYSA-N 403.511 3.896 0 50 HHAA Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1cccc(C(F)(F)F)c1)CCCCC3 169779273 LGBJUSIZKGFXKJ-UHFFFAOYSA-N 418.419 3.890 0 50 HHAA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)CC1 238899694 HBIHILGQENLYSC-LWYYNNOASA-N 407.599 3.698 0 50 HHAA biogenic O=C1CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CCN1Cc1ccncc1 299784491 ZXHKNKQLFCCORF-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC(O)CC3)c2)c2ccc(F)cc2n1 1295917074 XVLANRGWNUPCQV-UHFFFAOYSA-N 407.445 3.532 0 50 HHAA O=C(NCCCSc1ccccc1)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857736274 IMRVWPXBTYOMPQ-HNNXBMFYSA-N 411.552 3.948 0 50 HHAA CCOC(=O)c1c(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)sc(C)c1C 639809 QRLPSNLBUMVXBL-INIZCTEOSA-N 415.515 3.920 0 50 HHAA O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 671077 DEDQDAITDQHFIE-UHFFFAOYSA-N 414.414 3.577 0 50 HHAA CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 707855 SIXZNEMNHUPNMH-FGEXJBCWSA-N 411.432 3.966 0 50 HHAA O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCOCC1 780569 PVAIPKDFAZMYND-UHFFFAOYSA-N 412.453 3.618 0 50 HHAA COc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 829713 UENQRYAYGBJVLZ-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA COC(=O)C1=CN(CCc2ccc(F)cc2)C=C(C(=O)OC)C1c1cccs1 909217 ORKVZJUPZPVINV-UHFFFAOYSA-N 401.459 3.643 0 50 HHAA O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1)NC1CC1 3003326 LVOQRXFHVDANBS-UHFFFAOYSA-N 419.428 3.775 0 50 HHAA CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 3067414 MNCCPMQNLBRILS-CQSZACIVSA-N 401.260 3.643 0 50 HHAA O=C(NCc1ccncc1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11667779 BKXJPHLNEFMOSC-HXUWFJFHSA-N 413.525 3.560 0 50 HHAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1 11709331 NDMLRRMRVIDAGZ-SFHVURJKSA-N 416.481 3.536 0 50 HHAA Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 11873271 NNFRFOKLIKWDQB-JOCHJYFZSA-N 408.498 3.792 0 50 HHAA Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)Cn4cccn4)CC3)cc2)c1 12192419 AOMRRLYEEXGAFS-UHFFFAOYSA-N 402.498 3.736 0 50 HHAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)C1=CCCC1 12707040 XKMIDHBLSAFVAX-UHFFFAOYSA-N 409.618 3.756 0 50 HHAA O=C(N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1cccc2nccnc12 14979957 VODGDXLIGAYTSW-SFHVURJKSA-N 405.408 3.901 0 50 HHAA O=C(NCc1ccco1)/C(=C\c1cccc(Br)c1)NC(=O)c1ccco1 15767906 XMABMKSAQBDUPN-LFIBNONCSA-N 415.243 3.722 0 50 HHAA CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(C)c(NC(C)=O)c2)ccc1=O 16626514 DLDGIRJYTWMAIJ-UHFFFAOYSA-N 418.497 3.687 0 50 HHAA COc1cccc(C(=O)COc2ccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)cc2)c1 18167937 FZOQJDREEOYIPJ-SFTDATJTSA-N 405.450 3.803 0 50 HHAA O=C(CCCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)Nc1cccnc1 40266299 BTTOSZFJRHTFJP-UHFFFAOYSA-N 410.449 3.877 0 50 HHAA CN(Cc1ccc(F)cc1F)Cc1nnc(SCCOc2ccccc2)n1C 55120226 RPNMSDLYMYNQRP-UHFFFAOYSA-N 404.486 3.896 0 50 HHAA CCn1cc(-c2cc(C(=O)N3CCC[C@H]3c3nc(C)no3)c3ccccc3n2)cn1 63833246 MZUFLOUJBIDWPN-FQEVSTJZSA-N 402.458 3.787 0 50 HHAA COc1ccc2cc(CN(C)C3CCS(=O)(=O)CC3)c(-c3cccs3)nc2c1 72418186 XWOOXRZSALSWOW-UHFFFAOYSA-N 416.568 3.981 0 50 HHAA O=C1OC2(CCN(C(=O)c3ccc4c(c3)CCC4)CC2)CN1CCOc1ccccc1 77454504 RGPDDSUJVJSHFE-UHFFFAOYSA-N 420.509 3.681 0 50 HHAA Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1Cl 100570044 FTDKFVGTQUXECW-IBGZPJMESA-N 418.324 3.756 0 50 HHAA Cc1cccc(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)c1C 101686155 BEKSZZADERJDGR-ZJOUEHCJSA-N 412.555 3.804 0 50 HHAA COc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)C[C@H]2CCO)c(C)c1C 104320051 DKURQUGGXSRWNA-HSZRJFAPSA-N 407.558 3.862 0 50 HHAA COC(=O)[C@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)C[C@H]1c1ccsc1 170601144 ZZLIUXFGGYDWOT-ROUUACIJSA-N 400.475 3.635 0 50 HHAA C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 248115873 SHTFPMVMGLVGSN-GUTXKFCHSA-N 419.360 3.614 0 50 HHAA c1cnc2c(c1)nc([C@H]1CCCO1)n2C1CCN(Cc2ccc3c(c2)OCCO3)CC1 299756861 GNRJWCZRYKQIKF-OAQYLSRUSA-N 420.513 3.891 0 50 HHAA COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl 437474360 NNVXVHIZMNHHJX-UHFFFAOYSA-N 424.284 3.589 0 50 HHAA COc1ccc([C@H](O)C2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)cc1 812629663 YTRAINKPYVYZDE-QHCPKHFHSA-N 421.497 3.650 0 50 HHAA CC(=O)c1c(C)nn(CC(=O)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1C 827864646 PTDVGVNIQNLNLB-XMMPIXPASA-N 411.546 3.736 0 50 HHAA CCC[C@@]1(C(=O)OCC)CCCN1S(=O)(=O)c1ccc(OC2CCCC2)cc1 1463640669 SIFSVQZZWTYPHE-NRFANRHFSA-N 409.548 3.895 0 50 HHAA Cc1nccn1CC[C@@H](NC1CCN(C(=O)c2ccncc2)CC1)c1ccccc1 1506428240 NZTAAXDMXFNEJO-HSZRJFAPSA-N 403.530 3.612 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@H]1c1cccs1 1857798524 LTFCLOZFGILUAA-KGLIPLIRSA-N 405.526 3.748 0 50 HHAA Cc1nc2c(c(=NCC3=CCCCC3)[nH]1)CC[C@@]21CCCN(Cc2cnc(C)n2C)C1 1875249169 JMQOCKMIROYHAS-RUZDIDTESA-N 420.605 3.641 0 50 HHAA CC1(C)CN(C(=O)c2ccc(C(=O)N3CC(C)(C)OCC3(C)C)cc2)C(C)(C)CO1 2325731110 FRGXLVSDXKOPQK-UHFFFAOYSA-N 416.562 3.746 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccc(C(F)(F)F)nc3)C2)[C@@H]2CCCC(=O)N12 2356158656 UGBUXJPJOXZPAN-YVSFHVDLSA-N 409.452 3.742 0 50 HHAA Cc1cc(C)n2nc(C(=O)N3CCC4(CC3)OCCc3c4[nH]c4ccccc34)cc2n1 2356163289 WQTSYLOJYZNRSH-UHFFFAOYSA-N 415.497 3.532 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 824300 NSTGMAHMVZTNPM-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA Cc1cc(Br)cc(C)c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1154548 NHSTVMZPGUYMOP-UHFFFAOYSA-N 411.321 3.569 0 50 HHAA Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCCc3ccccc3)cc2)c1 2861302 YKPSZFVYCAGULS-UHFFFAOYSA-N 422.550 3.754 0 50 HHAA Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)c1 6721246 AOKKPNNFSCRTLU-UHFFFAOYSA-N 408.527 3.814 0 50 HHAA Cc1ccc(C(=O)[C@H](C)Oc2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 100921308 PJXPUPWAJMKDTG-SUWURHHDSA-N 401.462 3.957 0 50 HHAA CN(CCn1ccnc1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 55090669 FEJXYPRAEFVQFP-UHFFFAOYSA-N 401.470 3.597 0 50 HHAA CCCc1c(NC(=O)c2ccnc3[nH]cnc23)cnn1-c1cc(F)c(OC)cc1F 435948556 FCUWOMVZQRTFAL-UHFFFAOYSA-N 412.400 3.635 0 50 HHAA Cc1ccc(Cl)cc1NC(=O)Cn1nc(C)c(I)c1C 1430721 URXQHDFAQXZRNH-UHFFFAOYSA-N 403.651 3.705 0 50 HHAA CC[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1cc(Cl)ccc1Cl 6667859 TWSIZLQZGFIPMM-AWEZNQCLSA-N 415.298 3.754 0 50 HHAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]21 222250522 JIRCKUQMQFWACY-VDERGJSUSA-N 405.235 3.549 0 50 HHAA CC[C@@H](NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)c1ncc(C)[nH]1 426527682 FYPIQHOEZZRWQI-GOSISDBHSA-N 413.547 3.824 0 50 HHAA COCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc21 20604857 VURHKUJAQASBTI-UHFFFAOYSA-N 411.405 3.795 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(C)cc4C)ccn3n2)cc1 263619279 XWTQOINSGZCCJN-HSZRJFAPSA-N 403.482 3.912 0 50 HHAA CCc1oc(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)cc1CN1CCCC1 952979953 SNUMBGWRFAPDAX-UHFFFAOYSA-N 423.517 3.872 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)c2cc(C(C)C)n3ncnc3n2)cn1 952984720 REWIYKCRBKZGLH-UHFFFAOYSA-N 404.430 3.696 0 50 HHAA C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C 170606842 NFTOQMQICJCJQN-NGTQAZIISA-N 410.530 3.546 0 50 HHAA Cc1ccc(OC(C)(C)C(=O)N2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)cc1 1616071904 PLOLNKQCANVGFT-CVDCTZTESA-N 404.510 3.763 0 50 HHAA COCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)s3)C[C@]2(CCc2ccccc2)C1 1772812580 LFGPWUZICAVTTL-XMSQKQJNSA-N 418.990 3.941 0 50 HHAA COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1 5400059 XZINYLYUFXTJSA-UHFFFAOYSA-N 403.360 3.576 0 50 HHAA COCC1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)CC1 11664694 LEVLERPJEXVDTO-UHFFFAOYSA-N 404.580 3.661 0 50 HHAA COCC(=O)NC[C@H]1CCC2(CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)O1 12098806 BIOCVYBKBNRCHN-JOCHJYFZSA-N 420.553 3.534 0 50 HHAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 12458729 VIEJYFLCGXMKFK-OAQYLSRUSA-N 423.538 3.977 0 50 HHAA O=C(c1ccc2c(c1)OCO2)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 12703562 FVGSSLVJVXIXMA-VWLOTQADSA-N 406.526 3.976 0 50 HHAA CC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1 169753610 ZHFZAQFHUCIPKL-FQEVSTJZSA-N 421.476 3.573 0 50 HHAA CCOc1ccccc1C(=O)N[C@@H]1CCCN(c2cc(-c3ccc(OC)cc3)n[nH]2)C1 169753919 KUCCSPBEYQQDAK-GOSISDBHSA-N 420.513 3.883 0 50 HHAA O=C(N=c1cc(C2CCOCC2)o[nH]1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 1857531529 MDNIEPZPXBWKPW-OAHLLOKOSA-N 414.289 3.543 0 50 HHAA Cc1nnc(N2C[C@H](C(=O)Nc3cc(-c4ccccc4)c(C)c(C)n3)CC2=O)s1 1857723540 KMHMAALBPSPLTD-MRXNPFEDSA-N 407.499 3.517 0 50 HHAA O=C(NC12CCC(F)(CC1)CC2)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1875258679 RHGNFNAAGWQZID-UHFFFAOYSA-N 405.473 3.990 0 50 HHAA Cc1cc(Sc2nccn2C)ccc1NC(=O)c1cccc2c1O[C@H](C)C(=O)N2 1875255731 ZSEXFTLXWBRQHW-CYBMUJFWSA-N 408.483 3.851 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NCCCc2ccccc2)c1=O 11910946 ZAZLVJLWOKXAQH-UHFFFAOYSA-N 411.546 3.520 0 50 HHAA c1cc2c(cc1-c1nnc(N3C[C@@H]4C5CCC(CC5)[C@H]4C3)n1CC1CC1)OCCO2 2325840370 ZJWPINPHUBARJH-OTGCGEFBSA-N 406.530 3.999 0 50 HHAA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c1OC 844111 SABSWWQMCOVDBD-QGZVFWFLSA-N 401.850 3.624 0 50 HHAA COc1cc(Br)c([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1OC 1061890 AOZREQHIQLFFSJ-SECBINFHSA-N 406.232 3.669 0 50 HHAA O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 1196260 GKWCWOKSMKEFCE-UHFFFAOYSA-N 421.931 3.987 0 50 HHAA Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 2821181 GJOZQTUVDMGOFH-UHFFFAOYSA-N 404.260 3.902 0 50 HHAA C[C@@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1ccc(Br)cc1 11903525 MHPFIWHCJVXVAY-SNVBAGLBSA-N 408.321 3.531 0 50 HHAA Cn1cc(CN2CCC[C@@H](C(=O)c3ccccc3)C2)c(-c2ccc3c(c2)OCCO3)n1 12056109 MKRVPXIFQNTXNH-HXUWFJFHSA-N 417.509 3.953 0 50 HHAA COc1ccc(OC)c(CNC(=O)CCN2Cc3cc(Cl)ccc3O[C@@H](C)C2)c1 12157348 BJABVEKQYQRKNY-HNNXBMFYSA-N 418.921 3.647 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N(C)CC1CCN(CCc2ccc(F)cc2)CC1 12597585 OMSDSVRHAZNODD-UHFFFAOYSA-N 414.569 3.522 0 50 HHAA CC(C)c1cc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)n(C)n1 13593791 KWZMFBCRYPGUKU-KRWDZBQOSA-N 414.525 3.631 0 50 HHAA CCCC[C@@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)Cc2ccccc2O1 14883980 DONFIEKCJJTBSR-LJQANCHMSA-N 405.498 3.767 0 50 HHAA CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCCN1CCOCC1 19792122 HQIJGXCNMPJBDQ-UHFFFAOYSA-N 412.317 3.853 0 50 HHAA COc1ccc2cc(-c3n[nH]cc3CN3CCN(Cc4ccccn4)CC3)ccc2c1 20513357 WKVHARBNGFTJTC-UHFFFAOYSA-N 413.525 3.951 0 50 HHAA c1ccc(COc2ccc(CN3CCc4nnc([C@@H]5CCCO5)n4CC3)cc2)cc1 23153256 LJTLBABWAHGEPL-QFIPXVFZSA-N 404.514 3.767 0 50 HHAA COc1ccc(-c2[nH]ncc2C(=O)N[C@H](CC(C)C)c2nnc3ccccn23)cc1 206237470 MXRAFBMGEYABPS-GOSISDBHSA-N 404.474 3.645 0 50 HHAA C[C@H](NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)c1cccc(C(F)(F)F)c1 222024367 KFYSQPGTYYCNDM-CIISACIHSA-N 410.417 3.587 0 50 HHAA COC(=O)C1(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)CCCC1 253425466 CQHJBFLLVXYCBW-UHFFFAOYSA-N 400.426 3.728 0 50 HHAA C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)C1 461299934 IDTMQLOLJRFBGC-IIBYNOLFSA-N 419.518 3.998 0 50 HHAA CCn1cnc2c(N[C@H](c3ccc(C)cc3)c3cccc(S(C)(=O)=O)c3)ncnc21 462957552 MQNMZBGIDZJAMZ-LJQANCHMSA-N 421.526 3.760 0 50 HHAA O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@H](C(=O)O)c1ccccc1 486297024 YDWXDZGTESMQHQ-FCHUYYIVSA-N 416.477 3.532 0 50 HHAA Cc1cc(OC(C)(C)C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc(C)c1Cl 1615964378 DPTTYSXCGFMRHO-HKUYNNGSSA-N 402.922 3.883 0 50 HHAA CCc1ccc(-c2n[nH]c(S[C@H](CC(=O)N(C)C)C(=O)c3ccccc3)n2)cc1 1776006025 LGSRITNBNKUFSP-GOSISDBHSA-N 408.527 3.856 0 50 HHAA O=C(Nc1cc2c(nc1O)CCCC2)[C@@H]1CCO[C@H]1c1ccnn1Cc1ccccc1 1875330509 QXRCPZYLOWXTRG-XMSQKQJNSA-N 418.497 3.627 0 50 HHAA Cc1c(S(=O)(=O)Nc2n[nH]c(C3CC3)c2-c2ccccc2)cnn1-c1ccccn1 1875362568 KJZQNWODVSRCEE-UHFFFAOYSA-N 420.498 3.644 0 50 HHAA COCCN1CCC[C@@]2(CCCN2Cc2ccc(OCc3ccccc3)cc2)C1=O 2356168668 AIJSJBBNKRYJBK-RUZDIDTESA-N 408.542 3.869 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 983241 NFKYUMPIWYMKSC-NSHDSACASA-N 420.840 3.973 0 50 HHAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1 1154290 NSROTCPATJJBNL-UHFFFAOYSA-N 424.925 3.729 0 50 HHAA CCOc1ccc(-c2cc(C(=O)NN3CCN(C)CC3)c3cc(Cl)ccc3n2)cc1 2867846 VXASBNXOVHIRNV-UHFFFAOYSA-N 424.932 3.846 0 50 HHAA CCCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OC)nnc1C1CC1 6400183 UOQMOZTUMRWQQH-UHFFFAOYSA-N 408.549 3.761 0 50 HHAA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CCN(C(C)=O)CC1 6731188 SBBFZDHAPJBKBP-UHFFFAOYSA-N 400.500 3.707 0 50 HHAA Cc1ccc(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1 8588451 MNWCPGGNHZASSO-UHFFFAOYSA-N 405.473 3.841 0 50 HHAA Cc1ccc(-n2cccn2)c(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c1 11844029 GUUPULYDLWKNCI-UHFFFAOYSA-N 404.518 3.563 0 50 HHAA Cc1ccccc1CCN1CCC(CN(C(=O)Cn2cccn2)C2CCCC2)CC1 12020652 CYMUZEKRPKIDCT-UHFFFAOYSA-N 408.590 3.917 0 50 HHAA O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)/C=C/c1cccs1)CC2 12149729 LAZZFUKLQNNVID-XJDXJNMNSA-N 409.555 3.534 0 50 HHAA Cc1csc(CN(C)[C@@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)n1 14965744 WMDDMEQNLBPIGF-OAHLLOKOSA-N 421.950 3.847 0 50 HHAA CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)Cc1n[nH]c2ccccc12 15063903 FTIXMGMPLOZKCE-UHFFFAOYSA-N 408.521 3.658 0 50 HHAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 17082042 UCXROYUTOBKGIJ-QGZVFWFLSA-N 400.544 3.914 0 50 HHAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(c2ccccc2F)CC1 19957608 YDOZFNCUGAPIEB-UHFFFAOYSA-N 423.536 3.668 0 50 HHAA COC(=O)c1ccc(-c2noc(CN(C)Cc3nc4cc(Cl)ccc4[nH]3)n2)cc1 20538037 QNTZMBYGNLRIFQ-UHFFFAOYSA-N 411.849 3.685 0 50 HHAA CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)nn2)n1 169778154 PEYWPRQLMVLQCC-QGZVFWFLSA-N 408.506 3.836 0 50 HHAA COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)ccc1O 226421132 XQUREHCNYSPPLI-KUWBRRTOSA-N 411.498 3.918 0 50 HHAA CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccco4)N(c4ccccc4)O[C@H]3C2=O)cc1 230042374 QKCWRQZHQLQNEA-PWRODBHTSA-N 404.422 3.729 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(Cl)cc4)ccn3n2)cc1 263619242 XQEHYFVIUJSPEZ-OAQYLSRUSA-N 409.873 3.949 0 50 HHAA NC(=O)c1ccc(OCCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 482041072 LJADIJNJVSPQCB-HSZRJFAPSA-N 400.478 3.729 0 50 HHAA COCCn1c(-c2cc3cccc(OC)c3o2)nc2cc(S(C)(=O)=O)ccc21 758486853 VDXRBNZAZBBHBO-UHFFFAOYSA-N 400.456 3.508 0 50 HHAA C[C@]1(O)CCOC2(CCN(C(=O)c3cccc(OCCc4ccccc4)c3)CC2)C1 1704338263 PVADXVGFCPLXGS-DEOSSOPVSA-N 409.526 3.844 0 50 HHAA O=C(c1cccnc1)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857705559 MHPLWVXFKOWLPG-QFIPXVFZSA-N 421.541 3.710 0 50 HHAA COc1ccc([C@@H](NC(=O)CN[C@H](C)c2cc(F)ccc2-n2cccn2)C2CC2)cc1 1875256621 FLSIEWOKUDAMRV-GYCJOSAFSA-N 422.504 3.938 0 50 HHAA CN(C(=O)c1cc2ccc(F)cc2s1)[C@@H]1CCCN(C(=O)[C@H]2CCCS2)C1 1875310411 OYZSDGWBIYCODR-HZPDHXFCSA-N 406.548 3.999 0 50 HHAA Cc1ccc(Br)cc1C(=O)N1CCN(Cc2ccc(F)cc2F)C(=O)C1 1875318217 KLIJEEFBJJQEBT-UHFFFAOYSA-N 423.257 3.520 0 50 HHAA Cc1nc(C(C)C)sc1C(=O)N1CCCCNC(=O)C[C@H]2CCCCN2CCC1 2100532928 MNIXGXQTYYHLIX-GOSISDBHSA-N 420.623 3.562 0 50 HHAA C[C@@]1(c2noc(Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)n2)CCC(=O)N1 2325841239 KLGOQEKEIRKJFY-QHCPKHFHSA-N 417.444 3.777 0 50 HHAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCCCC1 785549 YHTNEKHDOQBWKS-UHFFFAOYSA-N 406.935 3.938 0 50 HHAA CCc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 1135250 CSDHMGRBHNPQAW-UHFFFAOYSA-N 400.422 3.673 0 50 HHAA COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 2835536 PORFCSMTWRVKLK-UHFFFAOYSA-N 417.314 3.570 0 50 HHAA COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 4309978 KAJRQTRNHODJSI-SFHVURJKSA-N 417.918 3.789 0 50 HHAA CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 7495600 PKVZBQSMHRVFBM-FQEVSTJZSA-N 419.481 3.816 0 50 HHAA CSc1ncccc1C(=O)NC[C@H]1Cc2cc(-c3nc(C)cnc3C)ccc2O1 11996115 WSVSANCIFXZWSB-QGZVFWFLSA-N 406.511 3.611 0 50 HHAA O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cccc(F)c1 12328945 RDMHMDLRWCPLAB-QGZVFWFLSA-N 404.869 3.879 0 50 HHAA CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2ccc(OC)c(O)c2)CC1 12572948 JFRYTHFUTWYWOA-UHFFFAOYSA-N 401.478 3.928 0 50 HHAA COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1C(=O)N1CCCC1 13668483 PYQJVKWECPYSOI-KRWDZBQOSA-N 416.543 3.588 0 50 HHAA CC(C)Nc1cc(C(=O)NC2CCCC2)cc(S(=O)(=O)Nc2ccccc2)c1 14731661 NCDMIDJKTABWDC-UHFFFAOYSA-N 401.532 3.980 0 50 HHAA O=C(NC1CCCCCC1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1cc2ccccc2s1 14881452 SPGKERRCAPVLEL-QUCCMNQESA-N 424.574 3.542 0 50 HHAA O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)CN1CCCCCC1)CC2 14981105 JLQMAOVMTYVMDJ-UHFFFAOYSA-N 423.532 3.768 0 50 HHAA COc1cccc(CN2C(=O)CC[C@H]2CCNCc2cc3c(cc2Cl)OCO3)c1 14988291 DEFRAKHAPCZYJF-KRWDZBQOSA-N 416.905 3.748 0 50 HHAA CN(CC(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1)Cc1ccncc1 15062214 YMUFRAYWGKSXIY-HSZRJFAPSA-N 401.510 3.788 0 50 HHAA COc1ccc(C(=O)CCC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)cc1 15065855 XLLBKSDTHAAJPN-QFIPXVFZSA-N 408.542 3.872 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C(N)=O)C1 17082924 QDVGFMMSWZDTEO-SNPRPXQTSA-N 404.532 3.748 0 50 HHAA CCOc1ccc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc1 20878168 VZJSDKBTQGQFNB-QHCPKHFHSA-N 420.557 3.544 0 50 HHAA CCc1nn2c(nnc3c(=O)n(Cc4cccnc4)ccc32)c1-c1ccc(Cl)cc1 40395951 XBLZKLCDEADCJO-UHFFFAOYSA-N 416.872 3.765 0 50 HHAA COCCN1CCC(CNC(=O)c2cccc(NCc3sccc3C)c2)CC1 55281517 GWWNHDQXKULTDT-UHFFFAOYSA-N 401.576 3.757 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c(Cl)c1 65362065 IGNAEKMCAZKLQF-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA CCOc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 65364579 HISQKCPCFHOMAF-UHFFFAOYSA-N 424.549 3.528 0 50 HHAA Cc1ccc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C(C)C)cc5)C(=O)[C@H]24)O3)o1 77378529 SMGKCXAPGHOZLS-MTQWNXOMSA-N 420.509 3.656 0 50 HHAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 169781367 QGLYNBJBIYLSOH-OAQYLSRUSA-N 416.456 3.725 0 50 HHAA C[C@@](O)(CNC(=O)Cc1csc(Cc2ccccc2)n1)c1cccc(Cl)c1 170596241 FKBNBUNTQSHQNR-OAQYLSRUSA-N 400.931 3.954 0 50 HHAA CO[C@H]1C[C@@H](C(=O)O)N(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)C1 237261841 DTYAVDJPVFTJJE-JXFKEZNVSA-N 410.445 3.607 0 50 HHAA FC(F)(F)c1nnc2ccc(N3CCC[C@@H](c4nc5c(s4)CCCC5)C3)nn12 301710322 HNWLKVSSPDKRDK-LLVKDONJSA-N 408.453 3.862 0 50 HHAA CC(C)Oc1cncc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 482179754 JZEGFQBEGSHZOJ-HNNXBMFYSA-N 409.408 3.776 0 50 HHAA C[C@@H](NC(=O)c1csc(Nc2ccccn2)n1)c1ccc(N2CCCNC2=O)cc1 812759256 CPOMFDJDIPROQH-CQSZACIVSA-N 422.514 3.692 0 50 HHAA CC(C)N1CC[C@H](C(=O)Nc2c3c(cc4c2CCC4)CCC3)[C@@H](c2cnn(C)c2)C1 849593054 ANIAOFYKCWHZCJ-XZOQPEGZSA-N 406.574 3.850 0 50 HHAA O=C(O)CN(Cc1ccc(F)cc1)C(=O)c1nsc2cc(Br)ccc12 2325877157 KXHXADPNSJPGTB-UHFFFAOYSA-N 423.263 3.925 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccccc2F)cc1 638304 RJXYJASJHJRBBQ-UHFFFAOYSA-N 418.534 3.728 0 50 HHAA COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1Br 1068505 TYTWLYUYKNMGKP-SECBINFHSA-N 423.332 3.995 0 50 HHAA COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1cccc(Cl)c1 1162086 HJMUYYBAMSJWOS-UHFFFAOYSA-N 421.902 3.584 0 50 HHAA O=C1OCC2=C1[C@@H](c1ccccc1F)CC(=O)N2c1cccc(Br)c1 1429647 IDWUDTDHUOOPMG-CQSZACIVSA-N 402.219 3.920 0 50 HHAA CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3c[nH]c4ccccc34)CC2)C1=O 14535191 ITJVGVLMTBTJKB-UHFFFAOYSA-N 402.498 3.597 0 50 HHAA Cc1ccccc1[C@]1(CC(=O)N2CCC[C@H](C)C2)CC(=O)N(Cc2ccccc2)C1=O 14879733 RLRJHFIUUBAGRD-SIBVEZHUSA-N 418.537 3.841 0 50 HHAA O=c1c(CNCCn2ccnc2)cc2ccc(F)cc2n1Cc1ccccc1Cl 14982433 ISPMLJFKURQDDE-UHFFFAOYSA-N 410.880 3.829 0 50 HHAA Cc1ccc2nc(OCc3ccccc3C)c(CN[C@H](CO)Cc3cnc[nH]3)cc2c1 43053810 JQIHMLROQJQOGN-QHCPKHFHSA-N 416.525 3.847 0 50 HHAA CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CC)CC 43772172 YWBNJEOWDZQOCB-MKUSPJRZSA-N 409.611 3.827 0 50 HHAA in-vitro Cc1ccc(CN2CCC(C(=O)NCc3nc(-c4ccc(C)cc4)no3)CC2)cc1 67629864 MYSJVMWSOUTNCI-UHFFFAOYSA-N 404.514 3.882 0 50 HHAA CC(=O)c1ccccc1-c1cc(C(=O)O)cc(S(=O)(=O)N2CCCCCC2)c1 71388715 XEJKPNIIZQXAJA-UHFFFAOYSA-N 401.484 3.819 0 50 HHAA O=C1[C@H]2[C@H]3CSCN3[C@H](/C=C/c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 109496861 UNKLTRXXWKZTPX-QACNQIRISA-N 410.926 3.916 0 50 HHAA COc1ccc(CCC(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1 169772430 NQHMTXGTLQRJRZ-UHFFFAOYSA-N 422.451 3.530 0 50 HHAA Cc1ccc(-c2ccc3nnc(CNC(=O)c4cccc(Br)c4)n3n2)cc1 169778473 FYZCRUJHNDVBSU-UHFFFAOYSA-N 422.286 3.792 0 50 HHAA CC(C)(C)c1cc(NC(=O)C(=O)Nc2cccc3[nH]ccc23)n(-c2ccccn2)n1 170609804 IGBOBKJWTFUXAK-UHFFFAOYSA-N 402.458 3.623 0 50 HHAA CC(C)Cc1ccc(S(=O)(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)cc1 170616397 YKWHNKHTOMQJNK-OAHLLOKOSA-N 406.514 3.826 0 50 HHAA COCc1c(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)sc2cccc(F)c12 170618674 QSPPTRRCKQNMFP-GFCCVEGCSA-N 400.479 3.579 0 50 HHAA CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N(C)[C@H](c1ccccc1)c1ccccn1 225521445 HQEXNEZNSFILMY-WIYYLYMNSA-N 413.518 3.559 0 50 HHAA Cc1nnn(-c2ccc(NC(=O)[C@@H](Sc3nnc(C)s3)c3ccccc3)cc2)n1 252508103 XCWPNWBOGGXXIN-KRWDZBQOSA-N 423.527 3.603 0 50 HHAA COc1cccc(-c2cc3n(n2)[C@@H](NCc2ccc(C(F)(F)F)cc2)CNC3=O)c1 263617100 MBDMURZPVFYGGW-LJQANCHMSA-N 416.403 3.609 0 50 HHAA O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@H](C(=O)O)[C@@H]1CCCOC1 432108541 PSMPCTVKPDKWLC-MWTRTKDXSA-N 424.472 3.903 0 50 HHAA Cc1ccccc1C1(CNC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 460366263 XXXUGUCFJJOSHV-YOEHRIQHSA-N 404.557 3.695 0 50 HHAA O=C(O)c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1F 489729078 RCAKSOYRUVYWCK-UHFFFAOYSA-N 401.415 3.904 0 50 HHAA Cc1cnc2c(cnn2CC(=O)N(CCCN2CCCC2)c2ccc(Cl)cc2)c1 1436646525 CGJCAKXCILJJFG-UHFFFAOYSA-N 411.937 3.912 0 50 HHAA CN(C)c1noc([C@@H]2CCCN2CC(=O)N2c3ccccc3CCc3ccccc32)n1 2325703151 VEBLBTFYPXVATB-NRFANRHFSA-N 417.513 3.736 0 50 HHAA O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1ccc(COc2ccccc2)s1 2325720492 LJYFHUPYQOWEDC-OAQYLSRUSA-N 420.534 3.947 0 50 HHAA C[C@H]1CC[C@H](NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)C(=O)N1 2325823505 VOLPZCBMUILPRL-RBZFPXEDSA-N 411.452 3.829 0 50 HHAA CN1CCC[C@@]2(CCCN2C(=O)c2cc(-c3cccnc3)nc3ccccc23)C1=O 2356163422 BTBANRBZOITBJD-XMMPIXPASA-N 400.482 3.524 0 50 HHAA O=C(C[C@H](C(=O)O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 627026 RIQZZIITKFLZNA-GOSISDBHSA-N 407.297 3.842 0 50 HHAA CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cccnc1 2391653 RQGVOICTWCIOID-UHFFFAOYSA-N 418.320 3.853 0 50 HHAA CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 2886519 YHNMXXKQLSIUHU-AWEZNQCLSA-N 408.520 3.587 0 50 HHAA O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccc1Br 4716465 SDGIQWYMQYSLJQ-UHFFFAOYSA-N 403.122 3.912 0 50 HHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)[C@H]1Cc3ccccc3O1)O2 11788801 ARBPLWCGPWLODI-NBGIEHNGSA-N 413.473 3.980 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(Cc2c(C)nn(C)c2Cl)C1 11999603 CCTKFPDZSNJPGR-NRFANRHFSA-N 407.917 3.909 0 50 HHAA CC(=O)N1CCC(N2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)CC1 12055933 APMNXJULRCSLBN-UHFFFAOYSA-N 423.538 3.874 0 50 HHAA CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2ccccc2F)cc1 12058649 UISZCTSTBQCREM-HSZRJFAPSA-N 408.517 3.987 0 50 HHAA COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](N2CCCCC2)C4)c1 12278906 DKIDZKCPYLFBSU-KRWDZBQOSA-N 409.555 3.858 0 50 HHAA OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1 12439638 IEIUOJVERZUUQR-UHFFFAOYSA-N 404.470 3.894 0 50 HHAA COC(=O)c1ccc(C(=O)N2CC[C@]3(CCCN(Cc4cccc(OC)c4)C3)C2)cc1 12709803 NBUSYOCFCCUMJP-VWLOTQADSA-N 422.525 3.610 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)C(=O)c2ccccc2)C1 12715512 ZRXMRKAYWHLURB-HSZRJFAPSA-N 415.436 3.562 0 50 HHAA Cn1c(SCCN2CCCCC2)nnc1C1CCN(C/C=C/c2ccco2)CC1 14986641 SQWYLBCIYRUILU-FNORWQNLSA-N 415.607 3.879 0 50 HHAA Cc1c(NC(=O)c2cc3cc(Cl)ccc3oc2=N)c(=O)n(-c2ccccc2)n1C 17088117 YMTYHNPMJWSYOH-UHFFFAOYSA-N 408.845 3.616 0 50 HHAA CCCn1ncc2c(C(=O)N3CCN(Cc4cccs4)CC3)cc(C3CC3)nc21 20606929 XAZCIIVPFBJTBX-UHFFFAOYSA-N 409.559 3.738 0 50 HHAA CCc1nn2c(nnc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccccc1 40390849 ZJLYWEIUCFNJGR-UHFFFAOYSA-N 401.495 3.973 0 50 HHAA O=C(Cn1ncc(N2CCCCC2)c(Cl)c1=O)Nc1ccccc1C(F)(F)F 72117610 FQELZXFUSBWKBS-UHFFFAOYSA-N 414.815 3.545 0 50 HHAA C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(=O)C(C)(C)C)C2)c1ccccc1 77375198 SBKLEOCYXRFKJZ-INIZCTEOSA-N 400.544 3.657 0 50 HHAA O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 97974638 ZGSXEXBYLJIOGF-HRQSHJORSA-N 409.445 3.799 0 50 HHAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 170623563 GMHYQIPEPSAOKT-FQEVSTJZSA-N 415.559 3.731 0 50 HHAA CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=N)N(c3ccccc3C)C2=O)cc1 170623866 WDBICNVICXWEDB-KRWDZBQOSA-N 411.483 3.584 0 50 HHAA C[C@@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)C(=O)c1ccccc1 197192089 MRUWHASBVVNYNC-XHXDDVKMSA-N 417.461 3.650 0 50 HHAA O=C(NC[C@H]1CCCN(Cc2cccs2)C1)NC[C@H]1CCN(c2ccccc2)C1 252458541 QBRFUQOQKDMYFZ-WOJBJXKFSA-N 412.603 3.786 0 50 HHAA COc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccc(OC)cc3)C4)n2)cc1 263617177 MMHSMQBVBJOSJL-IBGZPJMESA-N 404.426 3.889 0 50 HHAA O=C1NC[C@@H](NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccc(F)cc3)cc21 263617848 PZVGJAWUZNLPRB-SFHVURJKSA-N 404.367 3.740 0 50 HHAA O=C1CCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)CCN1Cc1cccnc1 299778149 PFBODDKXAJGEEV-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA CCOc1ccc(C2(CNC(=O)[C@H]3CCCN3c3ccccc3)CCOCC2)cc1 469002601 NZZUQWAMNJPUIG-HSZRJFAPSA-N 408.542 3.919 0 50 HHAA Cc1ccc(N2CCC[C@H](NC(=O)c3cc(C)nc4onc(C(C)C)c34)C2=O)cc1 742010094 JOYIPDZQTURFFP-SFHVURJKSA-N 406.486 3.888 0 50 HHAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2CCCC[C@H]2CCn2cccn2)s1 1506419771 WTGCYDLHSADQLJ-INIZCTEOSA-N 420.560 3.850 0 50 HHAA CN(CC(=O)Nc1ccc(O)cc1)CC(=O)N1c2ccccc2CCc2ccccc21 2325748917 ZNWHXMPVRYYPHM-UHFFFAOYSA-N 415.493 3.726 0 50 HHAA Cc1ccc(Cc2ccccc2C(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)cc1 2356153369 DBHPHWVDYWYQQG-SANMLTNESA-N 412.537 3.909 0 50 HHAA COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)c(Br)cc1OC(C)=O 1120145 MIACWRGPFRREJD-NVNXTCNLSA-N 416.227 3.728 0 50 HHAA O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccc(Cl)cc1Cl 1131612 RCEIJNHEKZVDNB-UHFFFAOYSA-N 408.690 3.669 0 50 HHAA O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NC1CCCCC1 1159346 MTORITJLCYLLIF-UHFFFAOYSA-N 407.539 3.986 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1178418 OHECKWCDSMTGJK-UHFFFAOYSA-N 420.840 3.926 0 50 HHAA CCOC(=O)N[C@](Nc1ccc(OC(F)(F)F)cc1)(C(=O)OCC)C(F)(F)F 2192136 YZCZWLVPVCVUQZ-CYBMUJFWSA-N 418.290 3.565 0 50 HHAA FC(F)(F)c1cc(C2CC2)n(Cc2nc3c4cnn(-c5ccccc5)c4ncn3n2)n1 2800530 ZUVCJCARZRUPEQ-UHFFFAOYSA-N 424.390 3.604 0 50 HHAA O=C1N[C@H](c2ccccc2F)[C@@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 4163776 KHYAUCQBMIYWPD-VBQJREDUSA-N 416.758 3.583 0 50 HHAA O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 4740440 LATQBTCINVWLJX-UHFFFAOYSA-N 404.557 3.982 0 50 HHAA CC(C)Cn1c(Cn2ccnc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 6665609 OSTLHQRYDCXDIH-UHFFFAOYSA-N 409.515 3.738 0 50 HHAA O=C(NCc1ccccn1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 6673597 PQTYYDAZZGSVKV-DLBZAZTESA-N 401.392 3.868 0 50 HHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCCc1ccccc1OC)C3 12149103 LHARTICEPWMZBB-QGZVFWFLSA-N 411.571 3.956 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CC(=O)Nc2ccccc21 12314896 BSZMVQVHOMYKRN-JOCHJYFZSA-N 423.532 3.665 0 50 HHAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 12458818 LWHWMDFTCLDGCI-SFHVURJKSA-N 410.514 3.584 0 50 HHAA COc1ccccc1CCc1nnc(CCC(=O)NCc2ccc(Cl)s2)o1 12597070 PYOQWYHZXZYPBC-UHFFFAOYSA-N 405.907 3.827 0 50 HHAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCCOC(C)C)c1 12709306 FKLVSKWGDAECIO-UHFFFAOYSA-N 404.551 3.636 0 50 HHAA CC(=O)N[C@@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl 13522725 QNJIOXRMVXPYRT-VIFPVBQESA-N 419.559 3.568 0 50 HHAA O=C1CN(CCc2ccccc2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 14541961 XEOTXAIJHORAJF-RUZDIDTESA-N 415.537 3.554 0 50 HHAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccsc1)CC2 14749397 UOGHQJIOPCBJRQ-UHFFFAOYSA-N 413.543 3.576 0 50 HHAA COc1ccc(C(=O)N2CCN(Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1 14963690 YSCNOLLAXSUEBO-UHFFFAOYSA-N 409.461 3.756 0 50 HHAA CN(Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1)Cc1nccs1 55195675 TYTDMXQGAITOOJ-OAQYLSRUSA-N 411.571 3.647 0 50 HHAA CN(Cc1ncc[nH]1)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77353486 FCNZHHMQMKQTBB-UHFFFAOYSA-N 407.518 3.714 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2ccc(SC)cc2)C[C@H]1CCO 104526382 WVROFGMJXDHWLD-OAQYLSRUSA-N 400.588 3.876 0 50 HHAA CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)cc1 169755700 MODIEFIEPSORNU-LJQANCHMSA-N 423.904 3.697 0 50 HHAA CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)C1CCCC1 170614911 SAMXNNQGKUJMFK-GOSISDBHSA-N 400.523 3.695 0 50 HHAA CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(C)nn2C)cc1 225718804 QATPUUUSPVCLOY-FQEVSTJZSA-N 412.534 3.725 0 50 HHAA CN(CCc1ccccn1)Cc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O 299785141 JEUCXEPIUNTEFL-UHFFFAOYSA-N 422.548 3.696 0 50 HHAA Cn1ncc(Br)c1S(=O)(=O)N(CC(C)(C)C)c1ccc(F)cc1 328594093 OXFMWSMYFNBXGN-UHFFFAOYSA-N 404.305 3.563 0 50 HHAA Cc1nc(CC(C)C)c(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)s1 445918673 CWVPPABBQCCVPV-LJQANCHMSA-N 405.539 3.592 0 50 HHAA CC(C)c1ccc(N2C[C@@H](C(=O)NCCCc3nc4ccc(F)cc4[nH]3)CC2=O)cc1 827696008 HSVCBNWBHXKLGH-KRWDZBQOSA-N 422.504 3.927 0 50 HHAA CC(C)(C)c1nocc1CNS(=O)(=O)c1c(Cl)cccc1Br 2325825610 WVPBCHONEMWWFX-UHFFFAOYSA-N 407.717 3.867 0 50 HHAA COc1cc(C(=O)O[C@@H]2C[C@@H](c3ccccc3)CCC2=O)cc(NC(C)=O)c1OC 2325901452 GWIKZMHFXUBIFU-OXJNMPFZSA-N 411.454 3.724 0 50 HHAA Cc1c(Cl)cccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 1059559 YFJSOXCZNQKOKS-UHFFFAOYSA-N 405.278 3.846 0 50 HHAA O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)s1)N1CCCC1 1130824 FHZFLXHJVJHPBR-UHFFFAOYSA-N 415.334 3.547 0 50 HHAA CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)c(OC)c2)cc1 1194365 HDGCESYEYGPCJG-LJQANCHMSA-N 409.529 3.539 0 50 HHAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 2926130 KXIDZRYCTFORKW-JOCHJYFZSA-N 424.497 3.815 0 50 HHAA COc1ccc(OC)c([C@@H]2CC(=O)c3c([nH]c(C(=O)OCCSC)c3C)C2)c1 4911740 URDLLSOWKPFASE-ZDUSSCGKSA-N 403.500 3.773 0 50 HHAA Cc1ccc(CN2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)c(C)c1 11788709 UPWQQFOMBKJQLR-UHFFFAOYSA-N 400.906 3.920 0 50 HHAA CCOC(=O)CCNC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 11878273 RMVQFKDBAXZVLX-NRFANRHFSA-N 408.498 3.911 0 50 HHAA COc1ccc2cc(CNCc3ccc(F)cc3)c(N3CCC[C@H](CO)C3)nc2c1 12078953 FNOMRGISVIHHTH-SFHVURJKSA-N 409.505 3.881 0 50 HHAA CCOc1cc(/C=c2\sc3nc4c(C)c(C)ccc4n3c2=O)cc(Cl)c1O 12411353 VKCKEZYZSWWFPG-SXGWCWSVSA-N 400.887 3.831 0 50 HHAA C[C@H](c1ccon1)N(C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12 13595874 ZNQWWZLPHMCERI-QGZVFWFLSA-N 403.486 3.788 0 50 HHAA O=C1CC[C@@H](N2CCN(C3CCCCC3)CC2)CCN1Cc1ccc(F)cc1F 23359050 SNBDJDAOXPDRLC-OAQYLSRUSA-N 405.533 3.796 0 50 HHAA CCc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1 65362110 HKZJWUPXKYETQV-UHFFFAOYSA-N 403.490 3.532 0 50 HHAA COc1ccc(CN2CCN(C3CCN(c4ccccc4)CC3)C[C@H]2CCO)cc1C 104456208 FTDSCZSTHXZZAY-RUZDIDTESA-N 423.601 3.541 0 50 HHAA CCOc1ccccc1-c1nc(-c2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)no1 169769121 XJBADYOSHJUHMO-IBGZPJMESA-N 419.441 3.674 0 50 HHAA COc1cccc2[nH]cc(CCNC(=O)N3C[C@H](n4cccn4)Cc4ccccc43)c12 225646856 AUDCPQOOZZQFMR-LJQANCHMSA-N 415.497 3.929 0 50 HHAA COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@@H](CO)C(C)C 230203276 QAZIGWFTNIUWES-FQEVSTJZSA-N 409.482 3.534 0 50 HHAA biogenic CC(C)c1cc(C(=O)Nc2ccc(-n3ncc(C(=O)O)c3C(F)(F)F)cc2)nn1C 236693322 NGLSUPRDPPJDNX-UHFFFAOYSA-N 421.379 3.699 0 50 HHAA O=C(COc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccc(F)cc1 239308994 HCULVCZZLOBHCK-UCHKQQSZSA-N 417.436 3.645 0 50 HHAA CCN(CC)Cc1nc(C2(NC(=O)c3cnc4c(F)cccc4c3)CCCC2)no1 432880464 NRFNTBDSKKCVJM-UHFFFAOYSA-N 411.481 3.798 0 50 HHAA CCS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 437318588 NKQKUHWBRLBLCU-CRAIPNDOSA-N 409.910 3.878 0 50 HHAA CCN1CCN(Cc2cc(C)cc(CN3CCCN(C4CCCC4)CC3)c2C)CC1 1506422563 CXCYECHADRUHTO-UHFFFAOYSA-N 412.666 3.891 0 50 HHAA Cc1cnn(C2CCN(C(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)CC2)c1 2325727887 UNJSDQRZZSZYIE-HXUWFJFHSA-N 416.953 3.853 0 50 HHAA O=C(Cn1cnc2ccc(I)cc2c1=O)c1ccc(Cl)cc1 639153 UKOSCCGHEJWPSA-UHFFFAOYSA-N 424.625 3.537 0 50 HHAA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1 725467 NEOGDKKGLMJWNS-SFHVURJKSA-N 415.287 3.863 0 50 HHAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1049249 FEDHOQXDKMBWSQ-GOSISDBHSA-N 424.522 3.913 0 50 HHAA COc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2N)c1 1131051 NTOYXVZVWVLDFX-UHFFFAOYSA-N 424.313 3.705 0 50 HHAA O=C(CCC(=O)NC1CCCC1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 1132424 IXXWOGVJWJEFOO-UHFFFAOYSA-N 411.483 3.694 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccccc3F)n2)cc1 4499995 DFHLVTUJDQUUTG-VOTSOKGWSA-N 412.446 3.545 0 50 HHAA O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc2c(c1)OCCO2 4820790 TWQHLDQWXMZVJX-UHFFFAOYSA-N 417.918 3.838 0 50 HHAA O=C(NCc1scnc1-c1ccccc1)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 11997791 DMVXTIFFHLCUIC-IBGZPJMESA-N 421.478 3.543 0 50 HHAA O=C(NCC1CCN(C2CCCC2)CC1)c1cc(COc2ccc(F)cc2F)on1 12760159 QZABVATUARUTNP-UHFFFAOYSA-N 419.472 3.916 0 50 HHAA COc1ccc2[nH]cc(CCn3ccc4nc(N5CCCCC5)ncc4c3=O)c2c1 13638601 AXCXXPQYNFGEEH-UHFFFAOYSA-N 403.486 3.514 0 50 HHAA Cc1ccccc1[C@]1(CC(=O)N2CCC[C@@H](C)C2)CC(=O)N(Cc2ccccc2)C1=O 14879732 RLRJHFIUUBAGRD-BCHFMIIMSA-N 418.537 3.841 0 50 HHAA COc1cccc(-c2cc(CC3(O)CCN(Cc4cnn(C(C)C)c4)CC3)on2)c1 14980724 VUZLQAALEHKSES-UHFFFAOYSA-N 410.518 3.697 0 50 HHAA COc1ccc(C(=O)N[C@H](NCc2ccccc2)C(Cl)(Cl)Cl)cc1OC 19792345 BLJDTJAITLSMEC-KRWDZBQOSA-N 417.720 3.920 0 50 HHAA COc1cccc(CN2CCC[C@@]3(CCN(c4nc5ccccc5o4)C3)C2=O)c1OC 72168048 WOXSJQSGRMQYHP-DEOSSOPVSA-N 421.497 3.864 0 50 HHAA Cc1ccc(N2C(=O)C[C@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1Cl 102407856 HDFAPBXNCKXMED-NRFANRHFSA-N 411.933 3.535 0 50 HHAA COc1ccc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(OC)c1OC 170597914 TZQXUZABIFTFHD-HNNXBMFYSA-N 424.419 3.626 0 50 HHAA CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 225540928 NYVJOCVXLUAGCP-UHFFFAOYSA-N 406.523 3.824 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1nccn1CC(F)(F)F 328593664 VLFMTLXKNRPSGJ-UHFFFAOYSA-N 416.469 3.541 0 50 HHAA CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3oc(C)nc3C)o2)c1 328596134 UIPJDIBLYCHGBL-UHFFFAOYSA-N 422.532 3.664 0 50 HHAA CSCC[C@H](C(=O)Nc1cccc2ncccc12)n1c(O)nc2ccccc2c1=O 888090143 FPNATYUVBLULKG-LJQANCHMSA-N 420.494 3.583 0 50 HHAA CN1CCN(C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2)CC1 1506403836 ZLZIVWQGVCTSTL-LJQANCHMSA-N 404.558 3.749 0 50 HHAA Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3cn(-c4ccc(Cl)cc4)nn3)C2)n1 1875338291 RVZMTBVXIRSOHF-KRWDZBQOSA-N 412.925 3.530 0 50 HHAA Cc1ccccc1[C@@H]1CCCN1C(=O)NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 2325841117 DFSJKTSKAMTYSF-HNNXBMFYSA-N 424.425 3.552 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 676884 FMJCVKZADRCFJP-UHFFFAOYSA-N 410.923 3.696 0 50 HHAA CCOc1ccc(Cn2c(-c3nonc3NC(C)=O)nc3ccccc32)cc1OCC 720300 QOAHVHPBQVQBMY-UHFFFAOYSA-N 421.457 3.890 0 50 HHAA Cc1ccc(CN(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 780425 MFQHPCPKCUAIGN-UHFFFAOYSA-N 420.962 3.898 0 50 HHAA Cc1ccc(Sc2c(C)nn(C(=O)CNS(=O)(=O)c3ccccc3)c2C)cc1 945435 CUKHIGOTJZZNDP-UHFFFAOYSA-N 415.540 3.578 0 50 HHAA O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccccc1N1CCOCC1 5063827 CMSIQXBOXYYUFR-UHFFFAOYSA-N 413.587 3.943 0 50 HHAA O=C(CCC1CCN(C(=O)CCc2cnccn2)CC1)Nc1ccc(F)c(Cl)c1 11700034 ICUSIWGOOUFLOX-UHFFFAOYSA-N 418.900 3.859 0 50 HHAA CC(C)N1CCC[C@@H](C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)C1 11817139 RIPMJQGFORJIGI-JOCHJYFZSA-N 403.586 3.659 0 50 HHAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCc2cn3ccccc3n2)C1 11820349 DMDXXPJDAUNFJS-JOCHJYFZSA-N 418.585 3.988 0 50 HHAA Cc1occc1C(=O)Nc1cccc(-c2nc(CNC(=O)c3cnccn3)c(C)o2)c1 12024242 QEOJIDSWHWMMOJ-UHFFFAOYSA-N 417.425 3.524 0 50 HHAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CCN4CCCC4=O)C3)C2)cc1 12058632 CWSRJSIHKQQKIE-RUZDIDTESA-N 411.590 3.637 0 50 HHAA CN(CC[C@H]1CCCCO1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12387472 XZNMHCHBUPELGJ-GOSISDBHSA-N 410.518 3.686 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)[C@@H]2CCOC2)CC1 12441833 FVSRMBXBXSGPDY-XMMPIXPASA-N 407.558 3.667 0 50 HHAA Cc1cc(C(=O)N[C@@H](C)CN2CCCCC2)c2c(-c3ccc4c(c3)OCO4)noc2n1 13641523 HPJLOOVCFHZZNR-HNNXBMFYSA-N 422.485 3.531 0 50 HHAA C[C@H](NC(=O)C1CCCCC1)c1nnc(SCCOc2ccc(F)cc2)n1C 14978538 XADHIHQECVRLEB-AWEZNQCLSA-N 406.527 3.883 0 50 HHAA COc1ccc(-c2nc3ncc4c(=O)n(Cc5ccc(Cl)cc5)ccc4n3n2)cc1 20102138 WKYDRSKQWRSHLW-UHFFFAOYSA-N 417.856 3.817 0 50 HHAA COc1ccc(CN2C[C@@H]3C[C@@H](c4cccc(C(C)=O)c4)N4CCC[C@@]34C2=O)cc1 20448814 JZAYEKLAYMDQQC-RSEQLOHWSA-N 404.510 3.836 0 50 HHAA Cc1c(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)[nH]c2c(C)cccc12 23145648 MPJRRJUUIIWNGW-QFIPXVFZSA-N 412.622 3.526 0 50 HHAA CCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OC 65363039 ISNHQCMSPZFIEO-ZDUSSCGKSA-N 413.865 3.506 0 50 HHAA O=C(C1CCOCC1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67846993 XNANRGBFPHNVOG-UHFFFAOYSA-N 410.495 3.817 0 50 HHAA O=C1O[C@@H](C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)Cc2ccccc21 170627137 GMGIKYIPAUTJNE-ONOMSOESSA-N 405.475 3.715 0 50 HHAA CC(=O)c1ccc(Cl)c(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)c1 761907209 OEPNYQZAUKYOGO-FXAWDEMLSA-N 418.946 3.848 0 50 HHAA O=S(=O)(Cc1cc(F)ccc1Cl)NC1CCN(Cc2cccs2)CC1 826567356 QSDWRQJBWCXMHO-UHFFFAOYSA-N 402.944 3.625 0 50 HHAA CCN1CCC(N(CCc2ccccn2)Cc2cc(F)ccc2-n2cccn2)CC1 952873916 QPZVUJYAVDQEDD-UHFFFAOYSA-N 407.537 3.935 0 50 HHAA CN1C(=O)C[C@H](C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c2ccccc21 1320126936 GYBXQTYMUJBJPX-HKUYNNGSSA-N 421.545 3.709 0 50 HHAA COc1cc(C)ccc1CN1C[C@H]2CN(Cc3cccc(SC)c3)C[C@]2(CO)C1 1772708581 IQOLTSAUJPBLNE-ZJSXRUAMSA-N 412.599 3.652 0 50 HHAA CC(C)n1nc(C2CCOCC2)nc1[C@H]1CCCN(C(=O)c2cnsc2)CC1 1772817053 GLEIOWGCPNOYGI-INIZCTEOSA-N 403.552 3.619 0 50 HHAA O=C(NC1CC(F)(F)C1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12 1772820575 NWYHEWQGANWLFU-UHFFFAOYSA-N 400.414 3.839 0 50 HHAA COC(C)(C)C(=O)N1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NC(C)C)CC1 1857694942 ZZEWABONTDTUPJ-UHFFFAOYSA-N 422.573 3.617 0 50 HHAA COc1ccc2[nH]c(C(=O)N3C[C@@H]4CN(Cc5coc(C(C)C)n5)CC[C@@H]43)cc2c1 1857702697 HOMUQVCZTFIYEX-KKSFZXQISA-N 408.502 3.634 0 50 HHAA COC1(C(=O)N2CCC[C@H](c3nc(C(C)C)no3)C2)CCN(C2CCCCC2)CC1 1857718130 ACUBOCAADYOQIQ-SFHVURJKSA-N 418.582 3.713 0 50 HHAA Cc1ccncc1C(=O)N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1 2100543371 QXVJFIMLEMYDLM-DEOSSOPVSA-N 401.510 3.968 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)C4CCCC4)C3)[C@@H]3CCCC(=O)N23)c1 2356136643 CRBPUQJUILVZLD-VAPSRWTKSA-N 410.558 3.656 0 50 HHAA COc1ccnc(CN2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CCC(C)C)c1OC 2356155320 CAJXSEVBGQRFQM-ZFMNYDKASA-N 415.578 3.736 0 50 HHAA Cc1cc(C)cc(OCc2ccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)o2)c1 655269 PPCMEZBVJXBYAT-IBGZPJMESA-N 414.355 3.896 0 50 HHAA CCOc1ccc(-c2csc3ncn(CC(=O)N4CCC(C)CC4)c(=O)c23)cc1 958888 AFVIRTSIKFMCKZ-UHFFFAOYSA-N 411.527 3.782 0 50 HHAA O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 1061757 QDCMZTFMQGRCMY-UHFFFAOYSA-N 408.907 3.863 0 50 HHAA CCc1ccc(NS(=O)(=O)c2ccc(OC)c(I)c2)cc1 1111042 OAJLDUNNACHTSL-UHFFFAOYSA-N 417.268 3.663 0 50 HHAA COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC 1531669 MRIAQLRQZPPODS-UHFFFAOYSA-N 402.399 3.512 0 50 HHAA endogenous,investigational Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)c1 2852590 RPHSXOHXLOSSDI-UHFFFAOYSA-N 403.935 3.920 0 50 HHAA CC[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1cc(Cl)ccc1Cl 6667860 TWSIZLQZGFIPMM-CQSZACIVSA-N 415.298 3.754 0 50 HHAA O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2Br)c1 9762366 VLAHNMNTQNRPAU-UHFFFAOYSA-N 413.680 3.928 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N(C)CC[C@@H]4CCCCO4)C3)nc2c1 11909696 CVJXUUIJPPOSPF-UXHICEINSA-N 410.562 3.881 0 50 HHAA COc1cc(CNCc2ccc(C)o2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 11950594 USENGLFJZIJEIU-NRFANRHFSA-N 416.562 3.891 0 50 HHAA COc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 12076493 JNCJIFGAZQDIGC-ZDUSSCGKSA-N 405.907 3.882 0 50 HHAA CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC(=O)CCCN2CCCC2=O)C1 12576959 IRAJFOAQJRKFLJ-LJQANCHMSA-N 412.509 3.544 0 50 HHAA CCOc1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 16626696 LUSPHZZTKHVLCL-UHFFFAOYSA-N 420.556 3.844 0 50 HHAA Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)CC1 20599075 DRDDOIXICGKSIT-RUZDIDTESA-N 415.585 3.967 0 50 HHAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2F)CN1Cc1ccc2ccccc2c1 64061423 SHZQRNPOFBEJBY-KNQAVFIVSA-N 406.457 3.525 0 50 HHAA CN(CCCN1CC2(CCN(C(=O)[C@H]3CC34CCC4)CC2)OC1=O)C1CCCCC1 77470431 ACDMSQKUKIVAQJ-HXUWFJFHSA-N 417.594 3.645 0 50 HHAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(Cc2ccc(S(C)(=O)=O)cc2)C1 91906462 SOGODJQLVCPGFU-JOCHJYFZSA-N 401.528 3.664 0 50 HHAA Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccnnc4)CC3)cc2)c1 95525841 FBVIBWVHDATJTE-UHFFFAOYSA-N 400.482 3.943 0 50 HHAA O=C(N[C@H](C(=O)O)c1ccccc1)c1nc(-c2cccs2)n(-c2ccccc2)n1 238028197 LNLGKBSVUUYFPT-KRWDZBQOSA-N 404.451 3.552 0 50 HHAA CC(=O)c1c(C)nn(Cc2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)c1C 299776647 BPQHCAHGYAAOIM-ZCNNSNEGSA-N 405.502 3.827 0 50 HHAA COCC1(NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)CCCC1 426412297 OPYPGUFEFVLVJD-UHFFFAOYSA-N 403.548 3.600 0 50 HHAA O=C(CCc1nccs1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 486921112 QOSBQVZZOOSHDE-UHFFFAOYSA-N 400.422 3.796 0 50 HHAA O=S(=O)(c1cc(F)ccc1Cl)N1CCC(n2c(O)nc3ccccc32)CC1 488921873 WKFZNQWAMWMDPN-UHFFFAOYSA-N 409.870 3.560 0 50 HHAA Cn1c(CNC(=O)C2(c3ccccc3Cl)CCOCC2)nc2cc(F)ccc21 732105049 FLIVJTBSIVHMLJ-UHFFFAOYSA-N 401.869 3.730 0 50 HHAA Cc1cc(-c2cc(S(=O)(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c(C)s2)n[nH]1 1506411322 IJKKAHYWXKHQJZ-GFCCVEGCSA-N 419.528 3.566 0 50 HHAA O=C(c1ccc[nH]1)N1C[C@H]2CN(Cc3nccs3)C[C@]2(CCc2ccccc2)C1 1772818345 QRJBMIYPZDXVOD-AUSIDOKSSA-N 406.555 3.678 0 50 HHAA CCOc1ccccc1O[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-n2cncn2)cc1 1875272716 AXFXUSRUTMXSSJ-RBUKOAKNSA-N 407.474 3.788 0 50 HHAA CSCc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)n(-c2nc3ccccc3[nH]2)n1 2325872636 HIZVPGDXQGFZGM-UHFFFAOYSA-N 418.526 3.928 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3cc(C)nc4onc(C)c34)CC1)OCC2 2356148198 LOBRACUHYLZFJE-UHFFFAOYSA-N 407.470 3.552 0 50 HHAA Cn1nc(C2CC2)cc1C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356153845 XNDDLPDQURDSLB-RUZDIDTESA-N 413.525 3.875 0 50 HHAA NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1 600558 NSQNZEUFHPTJME-UHFFFAOYSA-N 401.797 3.859 0 50 HHAA investigational Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cccc(C)c2C)cc1 784292 KYXRVUWDAIBTPM-UHFFFAOYSA-N 423.538 3.519 0 50 HHAA Cc1ccc(C[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@H]2C)cc1 1207108 BJAJDJPXPQLWCD-SUMWQHHRSA-N 419.262 3.968 0 50 HHAA O=C1OCC2=C1[C@H](c1cccc(Br)c1)CC(=O)N2c1ccc(F)cc1 1427691 RDTIXFQHPSXQIC-HNNXBMFYSA-N 402.219 3.920 0 50 HHAA COC(=O)Cc1c(C)c2cc(Cl)c(OC(=O)c3ccc(C)cc3)cc2oc1=O 4820714 KJFVLQAEBXOXBC-UHFFFAOYSA-N 400.814 3.998 0 50 HHAA CC[C@@H](C)NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 4996136 IEKMGBRDTOUYMZ-OAHLLOKOSA-N 424.950 3.767 0 50 HHAA CC(C)CN1C(=O)/C(=C\c2cccs2)N=C1SCC(=O)NCc1ccccc1 6387722 MNNHDYWJDGAFHV-WOJGMQOQSA-N 413.568 3.993 0 50 HHAA O=C1C[C@@H](c2ccccc2O)Cc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc21 9303711 YWIJMNXLQQLTIM-INIZCTEOSA-N 418.472 3.561 0 50 HHAA COCCn1c(CN(C)C2CCCCC2)cnc1S(=O)(=O)C1CCCCCC1 11661426 RZUUMUJDCJJFGG-UHFFFAOYSA-N 411.612 3.791 0 50 HHAA Cn1cc(C(=O)N2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c2ccccc21 11937247 KFARCSBOJNLKPR-UHFFFAOYSA-N 407.518 3.837 0 50 HHAA Cc1ccc(CNCc2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)o1 12053881 CKSMJQIBTQQFHG-QHCPKHFHSA-N 406.526 3.676 0 50 HHAA CN(Cc1ccc(OC2CCN(C(=O)c3cccs3)CC2)cc1)Cc1cnn(C)c1 12191254 LPQVMYFSOAYQKR-UHFFFAOYSA-N 424.570 3.797 0 50 HHAA COc1ccc(CNCCCC2CCCC2)cc1OC[C@H](O)CN1CCCCC1 12432017 QUKQTYQBXIPUQW-JOCHJYFZSA-N 404.595 3.981 0 50 HHAA CC[C@@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@H]2CCCO2)c2ncc(NC(C)C)cc12 14750710 FBMYBNQZFFVNID-GDBMZVCRSA-N 416.522 3.807 0 50 HHAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCCCSC)c1 14969790 OCOSLCIRURITQA-UHFFFAOYSA-N 406.592 3.964 0 50 HHAA OCC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CCN1CCc1ccccc1 19792503 LSHMMYOHQJABAR-QFIPXVFZSA-N 407.583 3.921 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc4ncccc4c3)C[C@@H]2CCO)cc1C 20450308 YYJVJNXVGSRYGI-QHCPKHFHSA-N 405.542 3.621 0 50 HHAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCCc1c[nH]c2ccc(Cl)cc12 44920469 FBPIAKILUJQQKX-UHFFFAOYSA-N 424.863 3.543 0 50 HHAA CCn1ccnc1CN(C)C(=O)c1cc(-c2cnc(C)nc2)nc2cc(F)ccc12 63870307 CRSGUKYHUCMNPX-UHFFFAOYSA-N 404.449 3.628 0 50 HHAA OC[C@@]1(O)CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 72434396 JJDSZQQAZDKSEI-XMMPIXPASA-N 408.929 3.973 0 50 HHAA C[C@H]1CN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)C[C@@H](C)O1 77406194 CNGHSMSYONFNII-CALCHBBNSA-N 411.546 3.968 0 50 HHAA CCN(C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)C1CCCCC1 82138816 LZAGTCHOUVZYDA-QFIPXVFZSA-N 412.622 3.939 0 50 HHAA CC(C)N1C(=O)[C@@H](Cc2nc3ccccc3c(=O)[nH]2)c2cc(Br)ccc21 96822484 AJNSVEHQNDAQJS-HNNXBMFYSA-N 412.287 3.767 0 50 HHAA CCOc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(F)cc5)no4)c3CO2)cc1 169773172 PGPHGWCDECLVPS-SFHVURJKSA-N 407.405 3.804 0 50 HHAA CC(C)c1noc(-c2cn([C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)nn2)n1 169777841 KCCQIBHLXRXODD-OAHLLOKOSA-N 400.870 3.582 0 50 HHAA Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N[C@@](C)(C(=O)O)C(C)C 170592093 OCMNHSDFGLDCMR-LJQANCHMSA-N 411.424 3.666 0 50 HHAA COc1cc(OC)cc(N2CC[C@@H](Nc3cn(CC(C)C)nc3C(F)F)C2=O)c1 170610588 NNNODTVDRXZKCL-MRXNPFEDSA-N 408.449 3.711 0 50 HHAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccc(N3CCCCCC3)cc1)CC2 170619507 YAOGWEDPABODEH-RTWAWAEBSA-N 401.551 3.851 0 50 HHAA CC(C)[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1nc2ccccc2n1C(C)C 334160889 OEQCROFRXIZUBQ-HXUWFJFHSA-N 403.490 3.720 0 50 HHAA Cc1ccc2ncnc(N[C@H](C)C(=O)NCCCN3CCCc4ccccc43)c2c1 426412814 VDCQLJCERXQDGO-GOSISDBHSA-N 403.530 3.698 0 50 HHAA CC[C@](O)(C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1 800539746 LOKAGPXRTHAPQS-JOCHJYFZSA-N 405.897 3.673 0 50 HHAA O=C(NCC1CCN(C(=O)c2cccc3cc[nH]c23)CC1)[C@H]1CCc2ccccc21 827763184 HSLAHJKGHZGKIL-NRFANRHFSA-N 401.510 3.866 0 50 HHAA COc1ccccc1-c1ccnc(C2CCN(C(=O)CCc3ccc(O)nc3)CC2)n1 952894907 UWKCQDFIJXHQOJ-UHFFFAOYSA-N 418.497 3.592 0 50 HHAA Cc1cc(N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc(CO)n1 1328583980 DIGQHAMHGLEBNI-AWEZNQCLSA-N 421.341 3.893 0 50 HHAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N(CCO)Cc1cncn1C 1704337528 VNLJBDJTXXVNGE-UHFFFAOYSA-N 419.481 3.688 0 50 HHAA CC1(C)Cc2cc(S(=O)(=O)Nc3ccc(OCC(F)(F)F)nc3)ccc2O1 1875317478 ZWDYSXRHGVBUIF-UHFFFAOYSA-N 402.394 3.537 0 50 HHAA C[C@H]1CCN(C(=O)c2cccc3ccn(C)c23)C[C@@H]1CNC(=O)c1ccncc1Cl 1875326760 JBMTWFWGRACCOZ-RDJZCZTQSA-N 424.932 3.755 0 50 HHAA CC1(C)CCC[C@@](C)(CNC(=O)c2ccc(NCc3nnc4n3CCCC4)nc2)C1 1875356516 PDEVFCKHLHMRCK-HSZRJFAPSA-N 410.566 3.958 0 50 HHAA Cc1nc(N[C@@H](C)c2noc(COC(C)C)n2)c2cnn(-c3cccc(F)c3)c2n1 1875361102 PJNZDHNTIBAQOQ-LBPRGKRZSA-N 411.441 3.744 0 50 HHAA C[C@H]1C[C@@H](N(C)c2ncnn3c(Br)ccc23)CCN1Cc1ccccc1 1875405635 KVOYAPCQANYCKN-RDJZCZTQSA-N 414.351 3.981 0 50 HHAA O=C(NC(=S)NCc1cccnc1)c1cccc2c(Br)cccc12 724304 SQVMRIGYMGAXPU-UHFFFAOYSA-N 400.301 3.802 0 50 HHAA COc1ccc(C(=O)N2N=C(C3CCCCC3)C[C@]2(O)C(F)(F)F)cc1OC 793130 AAPTZMAIRAYSSA-SFHVURJKSA-N 400.397 3.737 0 50 HHAA C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC[C@@H]1CCCO1 901040 CRDIITAEENWPCU-JSGCOSHPSA-N 411.449 3.938 0 50 HHAA Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 1196908 CPEVHCSUMHWSDV-UHFFFAOYSA-N 401.513 3.642 0 50 HHAA COc1cc2c(cc1OC)[C@@H](c1cc3c(cc1Br)OCO3)CC(=O)N2 1461156 RWKJYBCMWVNMEW-SECBINFHSA-N 406.232 3.669 0 50 HHAA Cc1c(C(=O)NCCc2cccs2)sc2ncnc(NC[C@H]3CCCO3)c12 11872026 AYQHMANVGBHQAF-CYBMUJFWSA-N 402.545 3.625 0 50 HHAA COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3cn(C)c4ccccc34)C2)cc1 11938557 CFQDNYJQZZAFRZ-HXUWFJFHSA-N 405.542 3.758 0 50 HHAA C[C@H](Oc1ccccc1)C(=O)NC[C@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 11972706 FOBGLFLIBDWHAH-KBXCAEBGSA-N 409.873 3.684 0 50 HHAA CN(Cc1ccsc1)Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]1 14968453 XARBBTLWIOSCEH-UHFFFAOYSA-N 411.571 3.767 0 50 HHAA Cc1cc(-c2nnc(CCC(=O)N(C)[C@H](C)c3ccc4c(c3)OCCO4)o2)c(C)o1 20780196 LBYCXRJYRQIRMA-CQSZACIVSA-N 411.458 3.870 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c(C)c1 33318541 KIBVWNUSDLAPNL-UHFFFAOYSA-N 408.550 3.746 0 50 HHAA Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N(C)Cc4ccccc4)ncc32)[nH]n1 91536639 WXGHIROGKMXDAX-LJQANCHMSA-N 404.518 3.588 0 50 HHAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)NCc1ccc2c(c1)OCO2 221996368 BUJMVLNCZSFSCO-DMFTZNECSA-N 419.905 3.541 0 50 HHAA COC[C@@](C)(NC[C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)c1ccccc1 252493897 NGBKYQCQZOFVHC-HYBUGGRVSA-N 413.562 3.916 0 50 HHAA COC(=O)C1=C(C(=O)OC)[C@H]2C(=Cc3ccc(Cl)cc3)[C@H]1[C@]13O[C@@]21[C@H]1CC[C@H]3C1 257356232 GYAQWIVZVGIKGZ-QLZIYZSYSA-N 412.869 3.563 0 50 HHAA COc1ccc(OC)c(CNC(=O)[C@H]2CC(Cc3cccc4ccccc34)=NO2)c1 299771949 ZZPVQFKKCBCCMA-HSZRJFAPSA-N 404.466 3.861 0 50 HHAA COCN1C(=O)CCc2cc(NC(=O)N(Cc3ccccc3)Cc3cc[nH]n3)ccc21 801780870 NTCKZGMLBKECBH-UHFFFAOYSA-N 419.485 3.527 0 50 HHAA Cc1cc(C)n(-c2cccc(CN3CCC[C@@]4(CCc5c(O)nc(C)nc54)C3)c2)n1 1857691771 CNGBMRZPFPTRIQ-XMMPIXPASA-N 403.530 3.773 0 50 HHAA CC(C)c1ccc(NC(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)cc1 1857730979 GRYNKTYOVVLSFM-VXKWHMMOSA-N 407.514 3.844 0 50 HHAA CCc1cccnc1C(=O)Nc1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)c1 2325869244 DTMKWYQMVQYGMU-UHFFFAOYSA-N 404.348 3.799 0 50 HHAA O=C(O)C1=C(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)CCC1 2325877297 OAJULLKYEJYZNA-INIZCTEOSA-N 411.285 3.878 0 50 HHAA CCc1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 824227 CRQRNNYDLDGSNT-UHFFFAOYSA-N 400.422 3.673 0 50 HHAA Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(N2CCOCC2)cc1 955054 PIEZEMAIRZJVIL-UHFFFAOYSA-N 419.319 3.920 0 50 HHAA Cc1sc(NC(=O)CSc2nnnn2-c2ccccc2)nc1-c1ccccc1 1105661 QINTULUZKRWMLQ-UHFFFAOYSA-N 408.512 3.825 0 50 HHAA O=C(CCC(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1)NCc1ccco1 1126558 QEVCOVJUQDIQHZ-UHFFFAOYSA-N 423.450 3.545 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccccc2)cc1 1137056 PNLGLZQWYZTHGT-UHFFFAOYSA-N 416.543 3.730 0 50 HHAA CCOc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1 1167600 XWWHJVFNRRAPJL-CQSZACIVSA-N 410.923 3.840 0 50 HHAA CCOC(=O)[C@@](O)(c1ccc(N(CC)C(=O)c2cccc(F)c2)cc1)C(F)(F)F 2058450 ZHJVEVKTWCQOBE-IBGZPJMESA-N 413.367 3.805 0 50 HHAA COc1cccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)c1 2838321 BUWDNGGIMVSCOW-UHFFFAOYSA-N 420.421 3.663 0 50 HHAA COc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3cc(F)ccc3C)c2C)cc1 11817689 RXNLCVBURCOPOS-AWEZNQCLSA-N 403.479 3.676 0 50 HHAA CSCCCNC(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1 12072363 YZVVAMVKYROFLU-UHFFFAOYSA-N 403.636 3.541 0 50 HHAA O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCC(Oc2ccccc2Cl)CC1 12701575 GMZNXEJKIJJTOY-MRXNPFEDSA-N 404.938 3.891 0 50 HHAA CN1CCC(N(C)C(=O)CC[C@H]2CCCN(Cc3ccc(OC(F)F)cc3)C2)CC1 12705288 JCLCDNGOJFPAIX-GOSISDBHSA-N 423.548 3.833 0 50 HHAA Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(N)=O)cc1 17081937 QCQKJJPWRYUPBD-CABCVRRESA-N 400.500 3.960 0 50 HHAA Fc1ccc(-n2cc(CNCCN3CCOCC3)c(-c3ccccc3Cl)n2)cc1 20601453 OSHHGLCSLPLCHG-UHFFFAOYSA-N 414.912 3.754 0 50 HHAA OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1CCCc1ccccc1 23375270 GWBFSEDNPRJLFB-XMMPIXPASA-N 404.558 3.578 0 50 HHAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1nnc(C2CCCCC2)s1 44917529 IKLLCXPGHYMCLB-UHFFFAOYSA-N 413.478 3.587 0 50 HHAA CCc1ccccc1NC(=O)c1ccccc1NC(=O)CC[C@H](C)N1CCOCC1 55393098 VRENBMDELWWYPI-SFHVURJKSA-N 409.530 3.941 0 50 HHAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)n1 72115499 FWPPIRAWVYTHOZ-UHFFFAOYSA-N 408.550 3.746 0 50 HHAA O=C(Nc1ccc(F)cc1Cl)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 169759837 GJGGEVKGCRVKSC-LJQANCHMSA-N 415.808 3.928 0 50 HHAA CC(C)c1noc(-c2cccn3c(CNC(=O)/C=C/c4ccc(Cl)cc4)nnc23)n1 169776325 CQUDCKAIKOYLPJ-JXMROGBWSA-N 422.876 3.886 0 50 HHAA Cc1ccnc(-c2ccc(NC(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)cc2)n1 170628787 WNKFNMSKMSGMTA-HXUWFJFHSA-N 401.470 3.547 0 50 HHAA CCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2ON1c1ccccc1 226864293 QHTHISMPQZWDSL-FGTMMUONSA-N 415.287 3.928 0 50 HHAA CN(C(=O)c1cccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)O)c1)c1ccccc1 237102726 RIKXVOYXAAKBFW-NRFANRHFSA-N 416.477 3.637 0 50 HHAA CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(F)c(F)c2)on1)c1ccc(F)cc1F 238900249 IEVAPODUOLNBST-SFHVURJKSA-N 407.367 3.931 0 50 HHAA CS(=O)(=O)c1cccc([C@@H](Nc2ncnc(N)c2Cl)c2ccc(F)c(F)c2)c1 302877065 FVPMNWKBSRWHIR-MRXNPFEDSA-N 424.860 3.595 0 50 HHAA CC(=O)Nc1cc(C(=O)NC[C@H](O)c2cccc(Cl)c2)cc(C(F)(F)F)c1 761168951 ZACLOFASZMHDKY-INIZCTEOSA-N 400.784 3.781 0 50 HHAA COc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(-c4cnc[nH]4)c3)CC2)c1 952977828 IYAJSWVANBFYMV-UHFFFAOYSA-N 404.470 3.576 0 50 HHAA O=C(COc1ccc(CN2CCC([C@@H](O)c3cccs3)CC2)cc1)N1CCCC1 952987867 KEQQNILRODCCRZ-HSZRJFAPSA-N 414.571 3.695 0 50 HHAA CC(C)CN1C[C@H]2CN(CCCC(=O)c3ccc(C(C)(C)C)cc3)C[C@]2(CO)C1 1772819015 DRVWOHZHEYOXLS-RCZVLFRGSA-N 400.607 3.829 0 50 HHAA Cc1nnc(N2C[C@@H](C(=O)Nc3cc(-c4ccccc4)c(C)c(C)n3)CC2=O)s1 1857723539 KMHMAALBPSPLTD-INIZCTEOSA-N 407.499 3.517 0 50 HHAA C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1)c1ccc(NC(N)=O)cc1 1875263513 IPGRNSRJACHXIH-JTQLQIEISA-N 401.829 3.851 0 50 HHAA CCC[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)NC[C@H]1CSCCS1 1875265201 AZEKUDNKRALKJI-LSDHHAIUSA-N 408.614 3.765 0 50 HHAA CCc1cc(C(=O)N2CCC3(CC2)CN(C(=O)c2cc(F)cnc2Cl)C3)c(C)o1 1875383223 LOGGYDHRRCRPEH-UHFFFAOYSA-N 419.884 3.716 0 50 HHAA CCOC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3ccc(O)cc3c2O)C(F)(F)CC1 2325872905 RILFCGGMLQVGRU-CXAGYDPISA-N 407.413 3.738 0 50 HHAA COc1ccc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)cc1OC 2356169183 WJAPZQUJFAADSR-XMMPIXPASA-N 408.498 3.501 0 50 HHAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCc2ccccc2)cc1 632298 APWYDWRFWROZIT-UHFFFAOYSA-N 407.466 3.846 0 50 HHAA COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)NC1CCCCC1 1108511 BFBWBIQWBSHHMZ-UHFFFAOYSA-N 420.513 3.741 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CCCCC1 1114555 GEIIOSAFWGPHGB-UHFFFAOYSA-N 416.543 3.798 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 2783997 XMWFTZUMGUFGSO-UHFFFAOYSA-N 417.435 3.898 0 50 HHAA Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3cccnc3)C2=O)cc1 4738696 ZWIWAKSDZPSANW-OAQYLSRUSA-N 414.465 3.756 0 50 HHAA COc1ccc(C(=O)N2CCOc3c(cc(-c4cccc(OC)n4)cc3OC)C2)cc1 11913515 SLMRSYNJEONRMZ-UHFFFAOYSA-N 420.465 3.809 0 50 HHAA Cn1c(CCNC(=O)[C@@H]2CCOC(C)(C)C2)nnc1SCc1cccc(Cl)c1 12166292 WCIDLIJAUWCVPT-OAHLLOKOSA-N 422.982 3.625 0 50 HHAA CC(=O)c1ccc(OCC(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)cc1 12432867 ANQKKYALLDXINW-QHCPKHFHSA-N 408.542 3.824 0 50 HHAA O=C(NCC1CCOCC1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12753580 RHCYGMBEGRGNRX-UHFFFAOYSA-N 422.569 3.929 0 50 HHAA COC(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 13746199 WEGZZYKGZNMUQP-UHFFFAOYSA-N 405.857 3.615 0 50 HHAA COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)cc1 13768264 ZVKBSENSURYYII-GMKZXUHWSA-N 400.563 3.812 0 50 HHAA O=C(O)c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 14010222 DZUHVVMORDHIDO-WOJGMQOQSA-N 406.369 3.877 0 50 HHAA Cc1noc(C)c1COc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1 20616063 XGZYWWCUUCAWOB-UHFFFAOYSA-N 423.488 3.968 0 50 HHAA Cc1cccc(N2CCN(C(=O)c3cn4c5c(cccc5c3=O)C[C@@H]4C)CC2)c1C 33089151 ZDDFRIMQFRANTN-KRWDZBQOSA-N 401.510 3.698 0 50 HHAA C[C@@H]1CCO[P@@](=O)([C@H](NS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 42378199 GVCVGXDNHLVKFU-MGEMXXMPSA-N 422.654 3.680 0 50 HHAA CCc1nc(C)c(C(=O)N2CCC3(CC2)CN(C[C@H](C)c2ccccc2)C(=O)O3)o1 77487063 FZOHJHGFYWUXCD-INIZCTEOSA-N 411.502 3.776 0 50 HHAA CC(C)Cc1ccc(S(=O)(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)cc1 170616396 YKWHNKHTOMQJNK-HNNXBMFYSA-N 406.514 3.826 0 50 HHAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(Cl)c1 229923419 VKWSFDREYVMNBZ-QKPAOTATSA-N 414.889 3.699 0 50 HHAA COc1cc([C@@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4c3c2cn4C)ccc1O 888090298 QDNKNKCXOQVTEH-FQEVSTJZSA-N 403.438 3.742 0 50 HHAA COc1cc(NC(=O)Nc2c(Br)c(C)nn2C)ccc1Br 1310786849 IRXYEKAJXBXKPW-UHFFFAOYSA-N 418.089 3.906 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)C1 1875371738 KTHUVZDNCGHBIZ-DYESRHJHSA-N 419.363 3.797 0 50 HHAA C[C@@H]1C[C@@H](N(C)c2ncnn3c(Br)ccc23)CCN1Cc1ccccc1 1875405636 KVOYAPCQANYCKN-WBVHZDCISA-N 414.351 3.981 0 50 HHAA COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 808643 UZVBHKYSRYKLHQ-CYBMUJFWSA-N 422.721 3.701 0 50 HHAA O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)OCc1ccccc1 837163 HRJCMADMXCKONH-MQSUGXTHSA-N 423.468 3.622 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@@H]2CC(c3ccccc3O)=NO2)sc2c1CCCC2 1126402 CDHSWCPLSWIFOO-INIZCTEOSA-N 414.483 3.641 0 50 HHAA COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc(C(=O)OC)c1 1199858 FWLNTQLKUVBRJB-GFCCVEGCSA-N 405.834 3.628 0 50 HHAA Cc1nn(C)c(C)c1CNC(=O)c1cc(Br)c(Br)s1 2730421 FAAKEKZGXHLEGW-UHFFFAOYSA-N 407.131 3.553 0 50 HHAA COC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1Cl 2857827 LVUINPUPXMSDOI-UHFFFAOYSA-N 404.669 3.690 0 50 HHAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCn2nc(C)cc2C)cc1 11873509 OOTMEMBMUIJPNJ-NRFANRHFSA-N 421.545 3.914 0 50 HHAA O=C(NCc1ccccc1)[C@H]1CC12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 11971702 QUBGAYBDIWMUOU-GOSISDBHSA-N 412.917 3.987 0 50 HHAA CN1CCC(N(C)C(=O)CC[C@H]2CCCN(Cc3ccccc3OC(F)F)C2)CC1 12074358 KZXLZAOUTRRLDT-GOSISDBHSA-N 423.548 3.833 0 50 HHAA Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)[C@H]1CCOC1)C2 12244681 JROTYYNKBRDMTJ-FPOVZHCZSA-N 402.494 3.975 0 50 HHAA O=S(=O)(c1ccc(-c2ccon2)s1)N1CCC[C@H](Nc2cccc(F)c2)C1 12315020 LJUUVIROFBSVRN-HNNXBMFYSA-N 407.492 3.807 0 50 HHAA O[C@@H](CCc1ccccc1)C1CCN(Cc2nc(COc3ccccc3)no2)CC1 12387062 KIVWYULYTBBGHC-QFIPXVFZSA-N 407.514 3.854 0 50 HHAA Cc1cccn2c(CN3CCC[C@H]3c3ccc(F)cc3)c(C(=O)N3CCOCC3)nc12 12447284 ZTGXLYMLFUSSFA-FQEVSTJZSA-N 422.504 3.591 0 50 HHAA COCCN(Cc1ccc2nonc2c1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 12762735 FSNYSBYOQHDANV-HXUWFJFHSA-N 420.557 3.551 0 50 HHAA COc1ccccc1CCN1CCC(CN(C)C(=O)CCc2c(C)noc2C)CC1 12762880 CBZRUVJOLVJHCV-UHFFFAOYSA-N 413.562 3.646 0 50 HHAA COc1ccccc1-n1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)cn1 13595194 GXTDMBWAWOCPGD-JTJYXVOQSA-N 414.509 3.823 0 50 HHAA COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@](C)(O)[C@@H](C)C2 14692411 NLJJSPKWNBUDNS-DAOPMYJZSA-N 418.486 3.588 0 50 HHAA biogenic,in-vitro Cc1cccc(S(=O)(=O)NCc2nc(N3CCCC3)c3cc(Cl)ccc3n2)c1 14978482 UPZUZAUZQQQXBP-UHFFFAOYSA-N 416.934 3.670 0 50 HHAA COC[C@@H]1CCN(C(=O)c2cc(C)ccc2OC2CCN(Cc3ccncc3)CC2)C1 15069051 MDVIDXPFXZMFLX-OAQYLSRUSA-N 423.557 3.542 0 50 HHAA O=C(COCc1cc(-c2cccs2)on1)NC1CCN(Cc2ccccc2)CC1 15679210 XYNGAARNCOYOPW-UHFFFAOYSA-N 411.527 3.701 0 50 HHAA OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CCN1CC1CCCCC1 23145265 JQBJJRDBJXBCJO-QFIPXVFZSA-N 410.562 3.718 0 50 HHAA COc1ccccc1CCN1CCC[C@@H](CN(C)Cc2cccn2-c2ncccn2)C1 23366645 ZHYYLGPZVGUWDR-NRFANRHFSA-N 419.573 3.662 0 50 HHAA O=C(Nc1nc(-c2ccccc2)ns1)N1CCc2nc[nH]c2[C@H]1c1ccccn1 55385361 XMYKFTADFNDMOB-QGZVFWFLSA-N 403.471 3.503 0 50 HHAA CN1C(=O)[C@H](NC(=O)Nc2cc(F)ccc2F)N=C(c2ccccc2)c2ccccc21 169621126 KHPDOEYWPALUTL-NRFANRHFSA-N 420.419 3.926 0 50 HHAA O=C1NC[C@@H](NCc2cccc(C(F)(F)F)c2)n2nc(-c3ccc(F)cc3)cc21 263619211 XLSRPOGTGYNBAP-SFHVURJKSA-N 404.367 3.740 0 50 HHAA COc1ccc(CC2=NO[C@@H](C(=O)N(C)Cc3cc(-c4ccccc4)on3)C2)cc1 299774387 GWMUYQRYGJWMKF-JOCHJYFZSA-N 405.454 3.696 0 50 HHAA O=C1C[C@@H](C(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)CN1CC(F)(F)F 481047851 LVUIHOCPSDJDEK-JRQWYPPZSA-N 424.463 3.988 0 50 HHAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cnn(-c4ccccc4C)c3C)C[C@H]12 1857672976 BZSXOWDYCVDWJA-UZSDIVCKSA-N 407.514 3.563 0 50 HHAA CCn1nc(C)cc1NC(=O)C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325820298 MZWHNBUKWOMNPS-UHFFFAOYSA-N 409.317 3.738 0 50 HHAA COc1ccc(CNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 839718 IDEKRZMONFOHDO-UHFFFAOYSA-N 424.522 3.591 0 50 HHAA CCOc1ccccc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1 857842 FYJJYCXVXPFABU-UHFFFAOYSA-N 424.522 3.597 0 50 HHAA COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCCC3 986199 MQHNCQZOSBQHMH-UHFFFAOYSA-N 400.525 3.900 0 50 HHAA CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cccc(Cl)c1 1165863 KOITYDSHUZQDQW-UHFFFAOYSA-N 405.903 3.966 0 50 HHAA COc1ccc(CC(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)O)cc2)cc1 2114757 AEBWHBHPWWUKQW-UHFFFAOYSA-N 404.422 3.827 0 50 HHAA biogenic CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccn1 2264561 NMVBWUOQYKIJDG-UHFFFAOYSA-N 418.320 3.853 0 50 HHAA COc1ccc(CCN2C(=O)CC[C@@H]3CN(Cc4ccsc4)CC[C@@H]32)cc1OC 12149190 HOGGFEANBOUMSO-UXHICEINSA-N 414.571 3.821 0 50 HHAA O=C(CN1CCC(c2ccccc2)CC1)N1CCC[C@](CO)(Cc2ccccc2)C1 12299110 NXNOJOWKIDNUQT-SANMLTNESA-N 406.570 3.710 0 50 HHAA CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 12384253 OTQDLQQBDUZGJH-NWFVXXGESA-N 422.493 3.549 0 50 HHAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 20235365 AVNOQHFBIFTHSZ-XEPABTDDSA-N 409.261 3.528 0 50 HHAA Cc1c(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cnn1C 23366593 WBKHUELPAQTKBF-NRFANRHFSA-N 421.511 3.534 0 50 HHAA CC(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 25581074 DCXCGORUUGMHBZ-ABSDTBQOSA-N 406.404 3.914 0 50 HHAA Cc1cc(C)nc(N2CCN(c3cc(C)nc4c(C)c(-c5ccccc5)nn34)CC2)n1 40216587 BWHBEXFFWZVUOG-UHFFFAOYSA-N 413.529 3.747 0 50 HHAA CCOc1ccccc1NC(=O)CC(=O)N(Cc1ccccc1F)[C@H](C)COC 55089453 IMNWXNZGEJJOHU-MRXNPFEDSA-N 402.466 3.617 0 50 HHAA Cc1ccccc1CN1CCN(C2CCN(c3ccccc3C)CC2)C[C@H]1CCO 104484492 XKBMIVOEZHVQQV-RUZDIDTESA-N 407.602 3.841 0 50 HHAA CCO[C@H]1C[C@H](O)C12CCN(C(=O)Nc1ccc(N3CCCCCC3)cc1)CC2 170619505 YAOGWEDPABODEH-SFTDATJTSA-N 401.551 3.851 0 50 HHAA CN(Cc1ccc(F)cc1Cl)C(=O)N(CCN1CCOCC1)c1ccccc1 225644720 LJJXAZKOXUSIHK-UHFFFAOYSA-N 405.901 3.870 0 50 HHAA O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1ncc(-c2cncc(F)c2)cn1 448544494 UINBFTARWXEYFB-UHFFFAOYSA-N 412.368 3.638 0 50 HHAA Cc1ccsc1[C@H](CO)NC(=O)NCc1ccccc1CN(C)Cc1ccco1 487218996 LOHJRRFDVSYPHS-FQEVSTJZSA-N 413.543 3.814 0 50 HHAA COc1ccc(Oc2ccc(C(=O)N(C)[C@@H]3C[C@@H]4CC(=O)N(C)C[C@@H]4C3)cc2)cc1 1529133099 BPUFTGDQBXPZCF-CEXWTWQISA-N 408.498 3.816 0 50 HHAA CCOc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl 1529158456 DHFHMBOFBFPNCC-FGZHOGPDSA-N 421.921 3.690 0 50 HHAA Cc1c(CN(C)C(=O)C[C@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)cnn1C 1857728071 LSLNAJUJQOPMTC-OAHLLOKOSA-N 415.925 3.788 0 50 HHAA Cc1cncc(C(=O)N2CC([C@@H]3CCCCN(C(=O)c4ccc5c(c4)CCC5)C3)C2)c1 1875360965 OEMJBEBSESLFFQ-JOCHJYFZSA-N 417.553 3.893 0 50 HHAA O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cc(=O)c2cc(Cl)ccc2o1 2325870948 WDUFELBWAMXAQB-FUHWJXTLSA-N 405.841 3.918 0 50 HHAA O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccccc1 622993 FPBFZNSHGHDYMD-UHFFFAOYSA-N 401.491 3.794 0 50 HHAA O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccccc1C(=O)c1ccccc1 624854 ZGJOCDFBXTZJCK-UHFFFAOYSA-N 417.852 3.920 0 50 HHAA O=C(Cn1cnc2cc(Cl)ccc2c1=O)c1ccc(I)cc1 639139 HRHZNZYEJCJYRA-UHFFFAOYSA-N 424.625 3.537 0 50 HHAA O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 834799 AXHAEVUDCJFQSD-UHFFFAOYSA-N 401.513 3.723 0 50 HHAA CCOc1ccc(-n2c(S[C@@H](C)C(=O)OC)nc3c([nH]c4ccccc43)c2=O)cc1 2720838 ZVKGLQDAFWLKST-ZDUSSCGKSA-N 423.494 3.919 0 50 HHAA Cn1cc(Br)c(C(=O)Nc2ccc(Br)c3cccnc23)n1 2786083 RMXVYSWDQBQBAQ-UHFFFAOYSA-N 410.069 3.746 0 50 HHAA Cn1cc(-c2nnc(S)n2-c2cnn(Cc3ccc(Cl)cc3Cl)c2)cn1 2808265 FHRRTLHPJFDXSE-UHFFFAOYSA-N 406.302 3.508 0 50 HHAA CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1O 2881919 BPCICRBDXMMRQA-UHFFFAOYSA-N 402.907 3.979 0 50 HHAA Cc1c(CCN2C(=O)OC3(CC(C)(C)NC(C)(C)C3)[C@]2(C)O)c2ccccc2n1C 4183544 UIQJQWOFGWDCAR-QHCPKHFHSA-N 413.562 3.869 0 50 HHAA COc1cccc(CCNC(=O)c2cc(-c3ccc(C)cc3)cc(-n3cnnn3)c2)c1 12278742 TVOBAESNGZYHTG-UHFFFAOYSA-N 413.481 3.619 0 50 HHAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)CCc2cnn(C)c2)C1 12303296 JURCGAKJEWOYTP-DEOSSOPVSA-N 411.546 3.548 0 50 HHAA CC(C)n1cc(CN2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)cn1 12303954 CYRYFMITIZUDSC-UHFFFAOYSA-N 423.605 3.805 0 50 HHAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)CCCN2CCCCC2=O)c1C 12711610 ZJWDBNATFIWISH-HXUWFJFHSA-N 408.546 3.775 0 50 HHAA COC(=O)CCCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(C(C)C)cc3)C2)C1 12713149 AZVZRLKEIYAMKM-XMMPIXPASA-N 400.563 3.968 0 50 HHAA O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H]2CN(CCc3ccccc3)CC[C@@H]21 14999993 JPBFWORVZMRBPC-YADHBBJMSA-N 406.526 3.513 0 50 HHAA Cc1nnc2ccc(N3CCC[C@@H](C(=O)Nc4cc(Cl)cc(Cl)c4)C3)nn12 32071740 GIVCBZOQIOCYQR-GFCCVEGCSA-N 405.289 3.595 0 50 HHAA COC(=O)[C@@H]1C[C@@H](NC(=O)Nc2ccccc2)CN1Cc1ccccc1C(F)(F)F 39500605 PVXIZPXORVXRQK-AEFFLSMTSA-N 421.419 3.643 0 50 HHAA Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)CC2)cc1 239235603 WHGUELHYNSHDCW-VZIOKQEQSA-N 404.510 3.545 0 50 HHAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)c(C)c1 245329474 ZJJGWZQWROXYET-IVAOSVALSA-N 422.912 3.792 0 50 HHAA C[C@H](NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1Cl 477924741 GQZDAFJQDUNPSA-ZFWWWQNUSA-N 406.864 3.701 0 50 HHAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCc1cccc(NC(=O)N2CCCC2)c1 485968251 DKNLBUCDPSXPFW-UOYQGRGCSA-N 411.546 3.652 0 50 HHAA C[C@@H](C1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1)N1CCN(C)CC1 952972117 FGTSJEPMLGPMTD-FQEVSTJZSA-N 407.558 3.967 0 50 HHAA CCN(C(=O)CNS(=O)(=O)c1sc2ccccc2c1Cl)c1ccccc1 1475682359 YLSWHINSVSMHGM-UHFFFAOYSA-N 408.932 3.886 0 50 HHAA CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)Cn1ncc2ccccc2c1=O 1529118258 HRVYYENCEBYSSD-UHFFFAOYSA-N 401.470 3.654 0 50 HHAA CCc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1nccn1Cc1ccccc1 1857672474 CTVYYSCMWIWQOO-UHFFFAOYSA-N 418.526 3.680 0 50 HHAA CN(CCC1CCOCC1)C(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857700057 KUDPHCBSVGBLDD-MRXNPFEDSA-N 405.926 3.973 0 50 HHAA Cc1ccc(F)cc1C(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857734149 LQWHLCMNFQKUSZ-DEOSSOPVSA-N 418.472 3.812 0 50 HHAA COc1cccc([C@H]2C[C@@H](C)CN2C(=O)C(=O)Nc2cnc3c(F)cccc3c2)c1 1875300053 JDSUOFYYNLRAEG-JLTOFOAXSA-N 407.445 3.931 0 50 HHAA CC[C@](COC)(NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875345287 UOGLDACEHIEYOB-OAQYLSRUSA-N 415.421 3.944 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(Br)cc2)cc1 2325888952 WLVBJBNJGAPOSU-QZTJIDSGSA-N 415.287 3.522 0 50 HHAA O=C(Nc1ccccc1C(=O)N[C@H]1CCCCNC1=O)c1cc2ccccc2s1 1044527 TUSCYCAIGRVBMD-KRWDZBQOSA-N 407.495 3.552 0 50 HHAA in-vitro CCOC(=O)CSc1nnc(-c2ccc(NC(=O)/C=C/c3ccccc3)cc2)n1C 1157533 QUJYBFQSRFWTLN-NTEUORMPSA-N 422.510 3.789 0 50 HHAA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2c(F)cccc2Cl)CC(=O)N1 4913172 UIGITQKQVWZSKB-OAHLLOKOSA-N 403.837 3.979 0 50 HHAA COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@H]2CCCC(C)(C)C2)CC1 12092185 CWFYGKSBPLIVAP-SFHVURJKSA-N 418.578 3.883 0 50 HHAA COc1ccc2cc(-c3n[nH]cc3CN3CCC[C@@H](CN4CCOCC4)C3)ccc2c1 12447109 UCQAKNHGMZLDKY-IBGZPJMESA-N 420.557 3.783 0 50 HHAA CCCN(Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1)CC1CC1 12572280 SRKXJKCDHMNPOX-UHFFFAOYSA-N 411.590 3.799 0 50 HHAA O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)N1CCOCC1 12862310 SHLBEVPUUOUMRX-OAQYLSRUSA-N 416.930 3.587 0 50 HHAA CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1OC 13519601 OJQPVYHQMRJQNF-GFCCVEGCSA-N 403.533 3.858 0 50 HHAA O=C1Nc2ccc(Br)cc2[C@@]12NCCc1c2[nH]c2ccc(Cl)cc12 19899737 XSOBSQCNNGDVAV-SFHVURJKSA-N 402.679 3.925 0 50 HHAA biogenic COc1ccccc1CCNCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn12 20600265 FCHZTFGFTWDEQC-UHFFFAOYSA-N 420.557 4.000 0 50 HHAA CC[C@H](C)c1ccc(S(=O)(=O)N(C)Cc2c(Br)cnn2C)cc1 20605962 HIZFCSGTCOTACP-LBPRGKRZSA-N 400.342 3.517 0 50 HHAA CC(C)(C)c1ccc(CN2CCN(CC(=O)Nc3cccc4nsnc34)CC2)cc1 22752199 HKJXWLMUSCCEGA-UHFFFAOYSA-N 423.586 3.745 0 50 HHAA Cc1cccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1C 101524931 PQBLVODFEIOMIT-CWMMHYCISA-N 417.505 3.851 0 50 HHAA C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(Oc2cccc3cccnc23)cc1 170613318 YPARUKUJYAARJN-MRXNPFEDSA-N 408.483 3.591 0 50 HHAA O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cnc2ccc(Br)cn2c1=O 252679412 LZSBVOVXKFVORJ-KCQAQPDRSA-N 404.308 3.546 0 50 HHAA O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CC[C@H](CN2CCCCC2)C1 742118954 SAVQALBSILBTLL-MRXNPFEDSA-N 406.452 3.839 0 50 HHAA Cn1ccnc1[C@@H](NC(=O)NC[C@H](O)c1cc2ccccc2s1)c1cccc(F)c1 757608254 WKTMOIABYUSGPD-PXNSSMCTSA-N 424.501 3.896 0 50 HHAA CCOc1ccc(C2(CNC(=O)[C@H](O)c3ccc(Cl)cc3F)CCOCC2)cc1 813419618 ABCNGUFGFGZMAX-HXUWFJFHSA-N 421.896 3.776 0 50 HHAA Cc1ccc(SC2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccncc4)C3)CC2)cc1 825181573 KXUWUTOTGXSACN-LJQANCHMSA-N 409.555 3.522 0 50 HHAA Cc1ccc(CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c(Oc2ccccc2)c1 849558300 MQZOIBMCJVUULD-XZOQPEGZSA-N 418.541 3.873 0 50 HHAA CN(CC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1)S(=O)(=O)c1cccnc1 916855006 RUXYXEVRNPBOPB-UHFFFAOYSA-N 418.559 3.903 0 50 HHAA CN1CCN(Cc2cccc(CNC(=O)N3CCC[C@@H]3c3cccc(F)c3)c2)CC1 1338461346 SLNDDUXISILJNU-HSZRJFAPSA-N 410.537 3.620 0 50 HHAA COCCc1noc(CN(C)Cc2cc(C)cc(CN3CCCC[C@@H]3C)c2C)n1 1506420962 FDAPJZVWHGIAFM-SFHVURJKSA-N 400.567 3.882 0 50 HHAA Cc1nc[nH]c1CN1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857697069 IXFDMZVKELZWLZ-OAQYLSRUSA-N 410.562 3.707 0 50 HHAA O=C(Nc1ccccc1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857741321 NMXOVPUDVINOKH-HSZRJFAPSA-N 401.470 3.756 0 50 HHAA CC[C@@H]1CN(CC(=O)NC(c2ccccc2)c2ccccc2)C[C@@]2(CCCOC2)O1 1875262769 KLBYOAWWLLZDAH-RCZVLFRGSA-N 408.542 3.552 0 50 HHAA CC[C@H](Oc1ccc(CO)cc1)c1cn(Cc2cccc(C(=O)NCC(C)C)c2)nn1 1875317569 DADGZZOJBUXMQW-QHCPKHFHSA-N 422.529 3.735 0 50 HHAA C[C@H]1CC2(CCOCC2)CN1c1nnc(-c2ccc3cnn(C)c3c2)n1CC1CC1 2325840253 VLKWTQRVTLXOPN-INIZCTEOSA-N 406.534 3.637 0 50 HHAA CS(=O)(=O)N(Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1)c1ccccc1 839553 HLVLGXPXXYFGHD-UHFFFAOYSA-N 420.534 3.851 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2C(=O)NCCC(=O)Nc2ccccc2)cc1 846692 PKGDXXZSSQMCQU-UHFFFAOYSA-N 417.465 3.706 0 50 HHAA O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCc1ccccc1 907231 QILSSEHHXAAMTB-UHFFFAOYSA-N 401.495 3.738 0 50 HHAA COc1cccc(C(=O)COC(=O)c2ccccc2NC(=O)c2cccc(OC)c2)c1 991865 FXTOJZHMNRUQSK-UHFFFAOYSA-N 419.433 3.996 0 50 HHAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCSCC4)c3n2)cc1 1071539 GQQBBYVKFRESMU-UHFFFAOYSA-N 404.442 3.532 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C(C)C)no2)C1 11709268 YMWBRGZLUMRBNR-QFIPXVFZSA-N 402.466 3.965 0 50 HHAA CN(Cc1cccc(OC2CCN(C(=O)CC3CCCC3)CC2)c1)Cc1ncc[nH]1 11910514 BKOZHVNQVSRGPQ-UHFFFAOYSA-N 410.562 3.992 0 50 HHAA Cc1nonc1CC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 12225802 CZJHJQQJDVASGM-AWEZNQCLSA-N 424.423 3.597 0 50 HHAA CN(Cc1ccccc1)c1nc(-c2ccccc2)ccc1C(=O)N1CCC(O)CC1 14966761 BSRUEESWWLKUMV-UHFFFAOYSA-N 401.510 3.982 0 50 HHAA Cc1cc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)ccc1Br 19853539 HHLPBUQPFJWKRI-UHFFFAOYSA-N 416.363 3.904 0 50 HHAA Fc1cc(Cl)ccc1NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19867827 BRFIJKZVZUEUJP-UHFFFAOYSA-N 407.898 3.722 0 50 HHAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(c3ccnc(N)n3)C2)cc1 95511574 LTEVRZHMUVDODN-QGZVFWFLSA-N 403.486 3.590 0 50 HHAA CC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nn2)n1 169780515 SQUVDTZYBFBKFI-UHFFFAOYSA-N 418.860 3.721 0 50 HHAA O=C(c1cccnc1)[C@@H]1CCCN(C(=O)[C@H]2CC(Cc3ccccc3Cl)=NO2)C1 299767217 PLRIBXKOTYYMEY-YLJYHZDGSA-N 411.889 3.544 0 50 HHAA COc1cc(OC)c(OC)cc1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 484065061 HQYJDHBXLRGOBQ-LJQANCHMSA-N 406.866 3.971 0 50 HHAA CCOc1ccc2nc(N3C[C@H](C(=O)NCc4ccccc4F)CC3=O)sc2c1 1857710689 KKDRQXLIYRJNJH-CQSZACIVSA-N 413.474 3.503 0 50 HHAA CCn1ncc(CNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)c1C 1857733837 AWLBUIVXJXQUBV-AWEZNQCLSA-N 401.898 3.539 0 50 HHAA Cc1cnn(C2CCN(C(=O)C(=O)Nc3c(Cl)cc(C)c4ncccc34)CC2)c1 2325744471 OUBMXQCOEQNALX-UHFFFAOYSA-N 411.893 3.504 0 50 HHAA C[C@@H](CN1CCCC1)NC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 2325850242 QYLKHARGXOEIPG-AWEZNQCLSA-N 401.898 3.593 0 50 HHAA COc1cnccc1-c1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 2356152194 SOKSBTZDMGTSMS-UHFFFAOYSA-N 401.466 3.814 0 50 HHAA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2cccs2)NC(=S)N1 758105 YXXIMCHLNXCCNT-CQSZACIVSA-N 408.346 3.942 0 50 HHAA CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 791958 LFBSVZWXXMQJFX-HNNXBMFYSA-N 422.934 3.778 0 50 HHAA Cn1ncc(I)c1C(=O)Nc1ccc(-c2ccccc2)cc1 894843 UZCBPKQMDQBWAS-UHFFFAOYSA-N 403.223 3.944 0 50 HHAA CCOC(=O)c1cc(CC)sc1NC(=O)C[C@H]1Sc2ccccc2NC1=O 916800 MECSUGCYKOEZDW-OAHLLOKOSA-N 404.513 3.929 0 50 HHAA COc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1Cl 1115581 AXQCLINIJGKLDG-UHFFFAOYSA-N 421.277 3.546 0 50 HHAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 1121493 BCSROHQGOSVILQ-UHFFFAOYSA-N 407.850 3.940 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 1139934 VKWYZLPOVHHHMS-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA COc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)cc1 1174305 ATXKBIWVFUUQPN-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 2875274 USWBXBCZBUUMHV-UHFFFAOYSA-N 409.529 3.566 0 50 HHAA Cn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1ccccc1 2875765 YITHHMASLDCBCH-UHFFFAOYSA-N 408.512 3.731 0 50 HHAA CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 2982276 JQBCSLHYUFLVQT-UHFFFAOYSA-N 406.305 3.924 0 50 HHAA COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)ON(c3ccccc3)[C@@H]2c2ccccc2)cc1 4751597 UJVPADQYHUNJPW-BDTNDASRSA-N 418.449 3.896 0 50 HHAA O=C(N[C@@H](Cc1ccccc1)C(=O)NCCOc1ccccc1)OCc1ccccc1 4809023 KHZADBZFHAKLIT-QHCPKHFHSA-N 418.493 3.719 0 50 HHAA COc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OCCSC)c3C)C2)cc1OC 4911528 AWWATMYXUMJZIX-CQSZACIVSA-N 403.500 3.773 0 50 HHAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 11972313 FSRFRQJDNLZVKY-QGZVFWFLSA-N 415.497 3.574 0 50 HHAA O=C1CCN(C(=O)c2cccc(-c3cccc(F)c3)c2)CCN1Cc1ccncc1 14999215 XTRAWAFWANSZLA-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(Cc2c(C)nc3sccn23)CC1 55199389 PZLQTAKJACJXCW-KRWDZBQOSA-N 405.564 3.809 0 50 HHAA Cc1oc(-c2ccccc2Cl)nc1CN(Cc1ccccn1)C[C@@H]1CCC(=O)N1 55309249 ZRFHIHKDJJXAIS-KRWDZBQOSA-N 410.905 3.979 0 50 HHAA Cc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1 169775965 RQSKSPGXMRHUFF-UHFFFAOYSA-N 400.482 3.518 0 50 HHAA O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)/C=C/c1ccccc1 230206011 GVEUOKKQIANGMU-HASXQKPESA-N 418.493 3.879 0 50 HHAA COC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Br)s2)ccc1F 317272703 SSNRWBHDWPWNKN-UHFFFAOYSA-N 408.270 3.546 0 50 HHAA Cc1ccc(O)c(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)c1 426537436 GSWRXTLEJPINMM-QHCPKHFHSA-N 414.452 3.634 0 50 HHAA CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 437272331 CWPOWQLFLRRFBE-RBUKOAKNSA-N 406.935 3.655 0 50 HHAA Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCCN3C(=O)c3ccccc3)CC2)c1 670439074 KCXJCDKKTUYKQB-QHCPKHFHSA-N 405.542 3.775 0 50 HHAA Cc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)CCC2=O)cc1C 760371875 NBEQWPRKTKCEGB-FXAWDEMLSA-N 419.525 3.809 0 50 HHAA C[C@@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccc(Oc2cccnc2)cc1 1875258826 BGEJRDFJKGBRJB-MJGOQNOKSA-N 403.486 3.758 0 50 HHAA O=C1C[C@H](C(=O)N2Cc3ccccc3N3CCC[C@@H]3C2)CN1Cc1ccccc1Cl 1875331508 KQMJXHXJOBFCQB-VQTJNVASSA-N 423.944 3.700 0 50 HHAA CCc1ccc(-c2ccc(C(=O)N(CC(=O)NC)C[C@@H]3CCO[C@@H]3C(C)C)o2)cc1 1875380692 WLBSZZMCFTXRIZ-WMZHIEFXSA-N 412.530 3.758 0 50 HHAA C[C@@H]1CN2C[C@@H](NC(=O)c3ccc(-c4cnc5cccc(F)c5c4)cc3)C[C@H]2CO1 2356138820 QSRNDSNCFNFDPR-XPGWFJOJSA-N 405.473 3.632 0 50 HHAA CCOc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 885117 IDRHTNHFLKVUJZ-UHFFFAOYSA-N 424.522 3.915 0 50 HHAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1164798 ABRFANTVSMDMKJ-FQEVSTJZSA-N 422.485 3.644 0 50 HHAA Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N[C@H](C(=O)O)C(C)C)cc1 2830468 OMOCXVYIFPLUGK-GQEMFKIVSA-N 414.889 3.645 0 50 HHAA CCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 2858002 ZVZOBCYCUNPSJG-JOCHJYFZSA-N 416.477 3.843 0 50 HHAA COc1cc(-c2ccc(C)cc2)cc2c1OCCN(C(=O)Cn1nc(C)cc1C)C2 12036248 ICSAFZJSZQUOER-UHFFFAOYSA-N 405.498 3.905 0 50 HHAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(Cl)c2)CC1 12112098 VAQFHYQQIMVYPT-NRFANRHFSA-N 419.997 3.502 0 50 HHAA O=C(NCc1ccccn1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 12133178 SLWLTNLUAFCFLE-UHFFFAOYSA-N 414.444 3.671 0 50 HHAA COc1cc(CN2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)ccc1O 12450636 KDYQUTFVLUZIPT-UHFFFAOYSA-N 406.530 3.982 0 50 HHAA CCN(Cc1cnn(C)c1)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 15077869 GXJXWGXYBTZMDW-UHFFFAOYSA-N 408.380 3.668 0 50 HHAA Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1C 18247123 UVOZQROLTOPGGO-KDURUIRLSA-N 417.461 3.799 0 50 HHAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCC(F)(F)F)c1 95502715 PPAIDYRTCINKFB-UHFFFAOYSA-N 400.441 3.773 0 50 HHAA Cc1noc(CN(C)C(=O)c2cccc(OC3CCN(CC(C)(C)C)CC3)c2)n1 95506505 PWLVBVJYWIOPMZ-UHFFFAOYSA-N 400.523 3.540 0 50 HHAA COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3ccc(C(N)=O)cc3)C2)n1 447138343 ZOTNASDWUCRWER-QGZVFWFLSA-N 421.522 3.937 0 50 HHAA COc1ccc(CNC(=S)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1 731567841 JBCVRJQZLDGZSJ-JOCHJYFZSA-N 419.550 3.909 0 50 HHAA CC[C@](N)(C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1cccc(Cl)c1 952880287 NNVJNUUNQIYDTL-VFCRVFHLSA-N 402.926 3.551 0 50 HHAA CN1CC[C@@]2(CCCN(C(=O)c3ccccc3-c3nc(-c4ccccc4)no3)C2)C1 952989482 NABDZBHWUKMUCO-DEOSSOPVSA-N 402.498 3.962 0 50 HHAA O=C(c1cscn1)N1C[C@H]2CN(Cc3nccs3)C[C@@]2(CCc2ccccc2)C1 1772811744 XZTAEOPABFKRDL-GCJKJVERSA-N 424.595 3.807 0 50 HHAA Cc1nc([C@@H](NC(=O)[C@@H]2C[C@@]23CCOc2ccc(Cl)cc23)c2ccccc2)n[nH]1 1857531733 FCAHGISEEPPHFC-LQBOVUBWSA-N 408.889 3.713 0 50 HHAA CCOc1ccc2nc(N3C[C@H](C(=O)NCc4cccc(C)c4)CC3=O)sc2c1 1857698214 IMRLEZHDONVJAJ-MRXNPFEDSA-N 409.511 3.673 0 50 HHAA COCCn1ccc(C(=O)NCc2cnc(-c3ccc(C(F)(F)F)cc3)s2)n1 1875261794 SBTDTSONMPMQBO-UHFFFAOYSA-N 410.421 3.602 0 50 HHAA Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1 675422 WQJBJTSZIYTRLA-UHFFFAOYSA-N 424.522 3.833 0 50 HHAA Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)C)cc1OCC(=O)NC1CCCCC1 1115655 FVWUEDNOFVJJJM-UHFFFAOYSA-N 416.971 3.553 0 50 HHAA CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(Br)cc1 1143278 MMPYTRRXOIDSKG-UHFFFAOYSA-N 424.349 3.915 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)C)cc3n2)cc1OC 1216366 ZWKGFOSFNMDWET-UHFFFAOYSA-N 408.380 3.571 0 50 HHAA CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1253313 MTEIVBTURZVPAY-UHFFFAOYSA-N 415.467 3.920 0 50 HHAA biogenic COc1cccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)c1OC 2470618 MESFHDUNGYZOCX-FQEVSTJZSA-N 424.482 3.722 0 50 HHAA COc1ccc(CCN2C(=O)CC[C@@H](C(=O)O)[C@H]2c2ccc(Cl)cc2)cc1OC 4759732 UCMMELSTVMGLSK-DYESRHJHSA-N 417.889 3.964 0 50 HHAA Cc1[nH]nc(C(F)(F)F)c1NC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 6412495 ZVHHWAGCRUDTCW-UHFFFAOYSA-N 411.405 3.693 0 50 HHAA CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1c(F)cccc1Cl 9382132 IIGQZAYWHACVIH-QGZVFWFLSA-N 423.897 3.938 0 50 HHAA Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc4nonc4c3)C2)cc1 11663393 QIJPFQJNRMLCJF-SFHVURJKSA-N 416.485 3.568 0 50 HHAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc(C)c(C)[nH]c1=O 11719713 RUNLLPALOFGWTQ-FQEVSTJZSA-N 413.537 3.548 0 50 HHAA CC[C@H](NC(=O)c1ccc(-n2cc(NC(C)=O)cn2)cc1)c1nc2cc(C)ccc2[nH]1 11784678 BGWNXDMENOTJKI-IBGZPJMESA-N 416.485 3.897 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CNCCN2CCOC2=O)cc1F 12387258 XTEIXYYOGZHNNQ-UHFFFAOYSA-N 424.476 3.537 0 50 HHAA COCCN(Cc1ccc2nonc2c1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12762730 FSNYSBYOQHDANV-FQEVSTJZSA-N 420.557 3.551 0 50 HHAA COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)o1 12835274 MXBXQGLPKFITIF-UHFFFAOYSA-N 422.485 3.582 0 50 HHAA COc1ccc(Cl)cc1-c1cc(C(=O)N2CCC[C@H](C)C2)cc(-n2cnnn2)c1 14986838 VDERCTIBGNZHSL-AWEZNQCLSA-N 411.893 3.863 0 50 HHAA CCn1c2ccccc2c2cc(CN3CCC([C@]4(C)NC(=O)NC4=O)CC3)ccc21 14996637 HQYHTFVEUQPEBK-DEOSSOPVSA-N 404.514 3.625 0 50 HHAA c1ccc(CCc2noc(CN3CCN(c4nc5ccccc5s4)CC3)n2)cc1 55088615 BCNBSGNERBALGI-UHFFFAOYSA-N 405.527 3.787 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3cc(-c4ccncc4)no3)cc2)n1 72410707 ZWYPIINBPIDZLM-UHFFFAOYSA-N 401.470 3.870 0 50 HHAA O=C(C1CCCCC1)N1CCC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169777706 DKHVOOXZVJPEQV-GOSISDBHSA-N 406.490 3.739 0 50 HHAA COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1-n1nnnc1C 170635816 NKKNZYXUIBVODV-QWHCGFSZSA-N 401.829 3.514 0 50 HHAA Oc1cccc(N2C[C@@H]3[C@@H](C2)[C@H]2[C@@H]3[C@H]3C=C[C@@H]2[C@H]2CN(c4cccc(O)c4)C[C@@H]32)c1 245239983 JIWQDZWKSMMLQN-LQVGPEEDSA-N 400.522 3.965 0 50 HHAA C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 252444082 CETPBGPVECRQDZ-SEPYTNNBSA-N 412.534 3.505 0 50 HHAA COc1cc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc2c1OCO2 253401390 FOUYCNXTGPANDW-MRXNPFEDSA-N 418.401 3.802 0 50 HHAA biogenic Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)Cc3cccnc3)csc2C1 426528116 WFBILZKXVHVMSU-AWEZNQCLSA-N 410.543 3.667 0 50 HHAA O=C(NC[C@@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1)C(F)(F)F 811856114 FBXWZFWGZQGHIZ-AWEZNQCLSA-N 415.419 3.587 0 50 HHAA OC[C@]12CNC[C@@H]1CN(Cc1ccc3c(c1)C1c4ccccc4C3c3ccccc31)C2 1772708486 HOGKWTHONYKFAD-PIJWFJGTSA-N 408.545 3.688 0 50 HHAA CCc1ccccc1CN1CCC2(CCC[C@@H]2NC(=O)CCc2cnccn2)CC1 1857708732 LCKKHDCDMMFEMM-QHCPKHFHSA-N 406.574 3.923 0 50 HHAA CCn1ccc2cc(NC(=O)C(=O)NC3CCN(Cc4ccccc4C)CC3)ccc21 2325734124 JZXXRZFRSGVNDY-UHFFFAOYSA-N 418.541 3.689 0 50 HHAA CCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)N(C)C1=S 661295 JZPMZIODMAOFKG-BOPFTXTBSA-N 400.475 3.833 0 50 HHAA CCCn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccc(OC)cc1 1114428 HYKHDORNDNQWKZ-UHFFFAOYSA-N 410.543 3.696 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1ccc(C)cc1 1130732 ROQHTHRWZVWGRT-UHFFFAOYSA-N 410.499 3.791 0 50 HHAA COc1ccc(/C=C(/NC(=O)c2ccc(OC)cc2)C(=O)N2CCCCCC2)cc1 1142683 HYQRPOIZBNLHMG-OQKWZONESA-N 408.498 3.877 0 50 HHAA COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)OC(C)C)Cc3c([nH]c4ccccc34)[C@H]21 1322235 STJVGZLEYYPBJO-UWJYYQICSA-N 420.465 3.607 0 50 HHAA biogenic O=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)c1ccc2c(c1)OCO2 2799975 UDRZRLUXXFNOGC-UHFFFAOYSA-N 415.799 3.982 0 50 HHAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cn(Cc4ccc(F)cc4)nn3)[nH]c2c1 11664697 WRNRACPDMWLVSN-FQEVSTJZSA-N 404.449 3.628 0 50 HHAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CN2CCCCC2=O)c1 11934663 FSBCEKOSFGYWEE-VWLOTQADSA-N 401.510 3.963 0 50 HHAA COC(=O)c1cc(CNC(=O)c2ccccc2)cc(NC(=O)c2ccccc2OC)c1 12030693 DOPDEBGGCSAPGB-UHFFFAOYSA-N 418.449 3.664 0 50 HHAA COc1cccc(-c2cc(C(=O)N[C@@H](C)c3csc(C)n3)cc(-n3cnnn3)c2)c1 12036784 FGFPMTDMLPXHPY-ZDUSSCGKSA-N 420.498 3.594 0 50 HHAA CC(C)C1=NO[C@H](C(=O)N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)C1 12298248 KMQRDXZSEYVUAL-SFHVURJKSA-N 412.452 3.650 0 50 HHAA CCc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)on1 12594472 SSGTUQQGZFGEAW-HXUWFJFHSA-N 421.501 3.673 0 50 HHAA Cc1nn(C)cc1CNCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 19839392 IJYNGEZINCNRER-UHFFFAOYSA-N 401.470 3.600 0 50 HHAA CCCCn1c(CN2CCC(Oc3ccc(C)cc3)CC2)cnc1S(=O)(=O)CC 55053405 ISDLQGFCEIAKIR-UHFFFAOYSA-N 419.591 3.829 0 50 HHAA COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(C)C1=O)[C@@H]3c1ccc(Cl)cc1 169680746 NQBZHUBXTQHFHN-SIKLNZKXSA-N 423.900 3.535 0 50 HHAA biogenic COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc(C)c(F)c4)C3)[nH]n2)cc1 169753668 VMKIGOMEBJPVTN-SFHVURJKSA-N 408.477 3.932 0 50 HHAA CC(C)(C)c1ccc(C(=O)NCc2nnc3c(-c4nc(C5CC5)no4)cccn23)cc1 169776075 QODNABYHAJMNDA-UHFFFAOYSA-N 416.485 3.884 0 50 HHAA CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C(=O)OC)c2cccc(Cl)c2)C1 229356095 LHUXTFSETGOBKJ-GOEBONIOSA-N 420.859 3.677 0 50 HHAA Cc1cccc2c1CN(CC(=O)N1c3ccccc3NC(=O)C[C@H]1C(F)(F)F)CC2 429572334 ZJNSQZOAGDPBEX-IBGZPJMESA-N 417.431 3.659 0 50 HHAA Cc1cc(C(=O)NCCc2cccc(-c3ccccc3)c2)cc(S(N)(=O)=O)c1C 472452732 ZEVVZCQPPUTXBD-UHFFFAOYSA-N 408.523 3.590 0 50 HHAA CC(C)(C)c1nnc2ccc(N3CCO[C@H](c4ccc(OC(F)F)cc4)C3)nn12 480428404 VFFNZNFNJPIHIF-HNNXBMFYSA-N 403.433 3.601 0 50 HHAA O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1NS(=O)(=O)C(F)(F)F 732752706 OGPIKCWJZXFTKR-UHFFFAOYSA-N 410.377 3.591 0 50 HHAA Cn1ccnc1[C@H](NC(=O)NC[C@@H](O)c1cc2ccccc2s1)c1cccc(F)c1 757608256 WKTMOIABYUSGPD-YLJYHZDGSA-N 424.501 3.896 0 50 HHAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 827676609 FKMDRRGFQUFYII-PHFHLZEPSA-N 422.529 3.770 0 50 HHAA O[C@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@H]1Cc1ccnc2ccccc12 1529152349 KKNILTCHSCSRFT-GJZUVCINSA-N 401.554 3.735 0 50 HHAA O=C(c1ccn2ncnc2c1)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 1857670167 XTEIYVIWSXALNS-UHFFFAOYSA-N 406.877 3.793 0 50 HHAA CC[C@@H]1CCC[C@H]1Nc1nc(C)nc2c1CCC21CCN(C(=O)c2cn[nH]c2)CC1 1857689260 LKJQXABFHUJIRH-VQIMIIECSA-N 408.550 3.619 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccncc4F)C3)[C@@H]3CCCCN23)c1 2356142960 OTCFKYQOYVWGMJ-GABIRTJKSA-N 423.532 3.787 0 50 HHAA O=C1[C@H](Oc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1C[C@H]1CCCO1 816236 VGOXVPURXGSVDR-LSTHTHJFSA-N 401.846 3.579 0 50 HHAA Nc1cccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 894990 BBSHCMWTSHNMBH-HSZRJFAPSA-N 406.869 3.930 0 50 HHAA CCOCCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 1745373 PKTFPTXYFKQXGW-UHFFFAOYSA-N 422.275 3.660 0 50 HHAA CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(OC)c1 2835546 IMGLMIQUQWSTIQ-UHFFFAOYSA-N 412.515 3.637 0 50 HHAA Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)Nc1ccccc1 2881985 ZFQKCIDPYQAUOA-UHFFFAOYSA-N 406.507 3.994 0 50 HHAA Cc1ccc2oc(C(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c(C)c2c1 4383916 JRPCGOFADUQBRH-HNNXBMFYSA-N 403.525 3.941 0 50 HHAA COc1cccc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)c1OC 4670401 KMBVPGKKKNIPAB-UHFFFAOYSA-N 402.922 3.886 0 50 HHAA Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cc2ccccc2o1 9263188 JSZWSTMCNSPAGX-UHFFFAOYSA-N 404.495 3.905 0 50 HHAA CCN(Cc1ccncc1)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 11791056 CCPGNOHBNXYUQR-UHFFFAOYSA-N 414.469 3.857 0 50 HHAA CCOc1ccccc1NC(=O)CSc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 11905580 AQQLWPMTOJOJEN-UHFFFAOYSA-N 409.511 3.799 0 50 HHAA C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 11910978 YHOONRXVGGIWAB-SFHVURJKSA-N 415.541 3.591 0 50 HHAA C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)C[C@@H](C)O1 12417962 GCUTVJMZNUAOFY-OKILXGFUSA-N 417.303 3.951 0 50 HHAA CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)c(C)n1 12707150 SNNAHEVJRWABEC-UHFFFAOYSA-N 424.574 3.889 0 50 HHAA COc1ccc(C(=O)N[C@H](C)c2nccs2)cc1OC1CCN(C(C)C)CC1 12707313 HOQHZOWYMGLXON-OAHLLOKOSA-N 403.548 3.894 0 50 HHAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCC(=O)O)c2C(=O)NC2CC2)C1 17087460 BMWHUZSKPRUPHD-LBPRGKRZSA-N 406.548 3.985 0 50 HHAA COc1cc(CN2CCN(Cc3cccc(Br)c3)CC2)cc2c1OCO2 19361482 TYFPTVABAPIHMQ-UHFFFAOYSA-N 419.319 3.504 0 50 HHAA COCCN(Cc1ccc2c(c1)CCO2)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 55270773 WYGWRAMQGJSZSE-QFIPXVFZSA-N 420.597 3.949 0 50 HHAA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(F)cc2)C(=O)N1Cc1ccccc1 101147919 JEECXSKHSNMNKW-FDFHNCONSA-N 402.425 3.872 0 50 HHAA CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 252477046 HFSUCFZKYLYZFV-NIKGAXFTSA-N 402.926 3.850 0 50 HHAA c1cc2c(cc1CNCc1cc3cc4c(cc3nc1N1CCOCC1)CCC4)OCO2 299796901 OPLKIHZLRQEHNK-UHFFFAOYSA-N 417.509 3.579 0 50 HHAA O=c1cc(CN2CCCC[C@H]2c2nnc(-c3ccccc3F)o2)nc2ccccn12 328606710 SMQRKZJBNQJNCX-SFHVURJKSA-N 405.433 3.611 0 50 HHAA Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@@H](CO)CCC(C)(C)C 478592888 OUCRCMYOWYUORD-OAHLLOKOSA-N 408.340 3.860 0 50 HHAA O=C(Nc1c[nH]nc1-c1ccccn1)c1ccn(-c2ccc(Br)cc2)n1 479595243 RXCXPPZCFMHNPZ-UHFFFAOYSA-N 409.247 3.672 0 50 HHAA Cn1ncc2cc(C(=O)OCc3coc(-c4ccc(C(F)(F)F)cc4)n3)cnc21 756197722 CGAQWNDDOBPLSV-UHFFFAOYSA-N 402.332 3.999 0 50 HHAA O=C(NCCN1CCCCCC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857717178 NCUGRGBRQOZGRJ-MRXNPFEDSA-N 404.942 3.690 0 50 HHAA COCc1cc(Cl)cc(S(=O)(=O)NCc2noc(-c3ccccc3)c2C)c1 2325819138 UXVIAHCACWTERM-UHFFFAOYSA-N 406.891 3.928 0 50 HHAA O=C(CNC(=O)OCc1ccccc1)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1 1156652 BEQTVLMTGCWVCP-UHFFFAOYSA-N 421.327 3.644 0 50 HHAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(C(=O)O)c1C 1159363 CVBRHZUQUSBQEA-UHFFFAOYSA-N 423.288 3.591 0 50 HHAA Cc1ccc(Cl)cc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1 1174348 JWRAVZZZUFLORT-UHFFFAOYSA-N 415.902 3.877 0 50 HHAA CCC[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1)C(=O)O 5104810 IZKHTHXRBXJFPH-UIMCMNAESA-N 414.889 3.789 0 50 HHAA CCOc1ccc(-n2c(CSCc3ccccc3)nnc2SCC(N)=O)cc1 5949273 LBRCSPJIHVUKEL-UHFFFAOYSA-N 414.556 3.677 0 50 HHAA C[C@@H]1CCCCN1Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 11782500 MHRNBTIABQHAHA-CQSZACIVSA-N 407.436 3.698 0 50 HHAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2ccccc2N(C)C)C1 11873498 WGTSNFNHLLTOBJ-HXUWFJFHSA-N 409.574 3.788 0 50 HHAA Cc1ccc(C(=O)NC[C@@H](C)Oc2cccc(CN(C)Cc3cnn(C)c3)c2)cc1 12155566 VPTDDOBAKURZHH-LJQANCHMSA-N 406.530 3.558 0 50 HHAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cc(COc2ccc(F)c(F)c2)on1 12301945 OXPVPFBFGTVNMP-UHFFFAOYSA-N 416.428 3.796 0 50 HHAA O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)c2cnn3cccnc23)C1 12431481 YGNRAOZULLZFDZ-SFHVURJKSA-N 410.477 3.716 0 50 HHAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)[C@@H]3CCCN(C(N)=O)C3)cc12 15064603 ZQXNHYOJRNNGEM-MRXNPFEDSA-N 408.477 3.689 0 50 HHAA COc1cccc(CN2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)c1OC 15072450 DNBQEDOZVFGLND-NQIIRXRSSA-N 412.505 3.970 0 50 HHAA CC1=C(C)C[C@@H](C(=O)Nc2sccc2C(=O)NCc2ccco2)[C@H](C(=O)O)C1 17082398 JUZAYHZVIIUIAT-HZPDHXFCSA-N 402.472 3.657 0 50 HHAA CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2cc(C)ccc2C)ccc1=O 20095503 UJYOZDFQQDLAAV-FQEVSTJZSA-N 419.481 3.888 0 50 HHAA Cc1nc(-c2ccccc2)sc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 20426529 HGDBRQOKVOGLNX-UHFFFAOYSA-N 412.603 3.799 0 50 HHAA CCOc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)ccc1O 20537393 OCZVVGZDVOFFIZ-HXUWFJFHSA-N 413.537 3.717 0 50 HHAA CC[C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2nn(CC)cc2Br)cc1 20614227 SKLDCDWZGSUPDZ-CYBMUJFWSA-N 414.369 4.000 0 50 HHAA O=C(N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1)C1(c2ccccc2)CC1 55358164 QLTQGKYFGPZRME-HSZRJFAPSA-N 407.533 3.671 0 50 HHAA O=C1[C@H]2[C@@H](c3ccc(F)cc3)N3CCCN3[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 138561238 GZLMSOWNPLTRQW-RCCFBDPRSA-N 420.271 3.668 0 50 HHAA CCN1c2cc(C(=O)NCc3ccc(OC)cc3)ccc2C(=O)N2CCCCC[C@@H]21 169766296 AMVTUMPTDLXDPL-JOCHJYFZSA-N 407.514 3.807 0 50 HHAA C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c(F)cccc1Cl 170631610 KCGQJVCIOMTBPJ-SMDDNHRTSA-N 400.878 3.969 0 50 HHAA CCc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)nc(C)n1 170640487 VKFXRSVUEYIUGT-SFHVURJKSA-N 402.498 3.992 0 50 HHAA COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)ccc1OCC(=O)O 238924057 QPWLFORJVUFMQF-UKKVHLKESA-N 419.524 3.561 0 50 HHAA COC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc(C)c1-c1ccccc1 239433059 XDSFXTQCNVBYLR-NXNVCVFFSA-N 411.479 3.972 0 50 HHAA Cc1ccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 244700849 JVDJVBTZNXPUJT-ZRGHVXQMSA-N 401.462 3.877 0 50 HHAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 252674599 SIXCHSTYCOPRDB-XMSQKQJNSA-N 421.545 3.591 0 50 HHAA CN1CCC[C@@H](COC(=O)CCc2cnn(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 252680055 VBXGEFKAIZDEBB-PXNSSMCTSA-N 409.452 3.998 0 50 HHAA CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1ccccc1 253387471 OEUDITAJWLGFIL-HTVLXBNZSA-N 414.505 3.943 0 50 HHAA CC1=C(C(=O)NCc2nc(-c3cccc(NC(=O)CC(C)C)c3)oc2C)OCCO1 299756647 GWGSSRQQMIHJBW-UHFFFAOYSA-N 413.474 3.529 0 50 HHAA CCSCc1cccc(NC(=O)C(=O)Nc2ccc(OCc3nccn3C)cc2)c1 437378263 SDVIYNWRIMAKHX-UHFFFAOYSA-N 424.526 3.829 0 50 HHAA CCN(C(=O)COC(=O)c1nnc(O)c2ccccc12)c1cccc2ccccc12 745883495 INJPTSQFFMGNHL-UHFFFAOYSA-N 401.422 3.699 0 50 HHAA COCc1noc(CN2Cc3cnn(-c4ccccc4Cl)c3CC(C)(C)C2)n1 952893989 PBXJEFBLMGJMBU-UHFFFAOYSA-N 401.898 3.640 0 50 HHAA Cc1nc[nH]c1CN1C[C@H]2CN(Cc3nccs3)C[C@]2(CCc2ccccc2)C1 1772804110 GIYWBGUILVVGFC-REWPJTCUSA-N 407.587 3.741 0 50 HHAA CC[C@@H]1CN(CC(=O)NC(c2ccccc2)c2ccccc2)C[C@]2(CCCOC2)O1 1875262770 KLBYOAWWLLZDAH-RDGATRHJSA-N 408.542 3.552 0 50 HHAA CC(C)[C@@H](C(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1)n1cnc2cc(F)c(F)cc21 1875263004 PMILMWOIAAQNDX-SFHVURJKSA-N 413.384 3.725 0 50 HHAA CCC[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)NC[C@@H]1CSCCS1 1875265200 AZEKUDNKRALKJI-HUUCEWRRSA-N 408.614 3.765 0 50 HHAA NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 1875339281 ZFBUIBCXNJKDAC-IPMKNSEASA-N 419.447 3.737 0 50 HHAA CC(C)c1cc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)ccc1OCc1ccccc1 2325853664 YITODLCNLPJZPP-YUXAGFNASA-N 415.555 3.923 0 50 HHAA CCCCn1nc(CC(C)C)c2c(NC[C@H]3CC[C@H](C(=O)NC)CC3)ncnc21 2356149088 JIUDKLRSEXPZGI-QAQDUYKDSA-N 400.571 3.789 0 50 HHAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 1049264 HTXNKCYBFXFBIZ-UHFFFAOYSA-N 412.486 3.828 0 50 HHAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1 1164169 PGFKLMZHKQLAJK-UHFFFAOYSA-N 410.555 3.988 0 50 HHAA COC(=O)c1c(NC(=O)CCCOc2ccccc2)sc2c1[C@H](C(=O)OC)CC2 1779473 IESFIMIVGQUMSF-CQSZACIVSA-N 417.483 3.535 0 50 HHAA O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 2821784 DJKWRHJOCQMDQY-UHFFFAOYSA-N 421.522 3.969 0 50 HHAA COc1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 2873908 FRTMAGZMKXHAID-NSHDSACASA-N 417.314 3.795 0 50 HHAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1OC 4286328 NDCVGZHLLGWUIQ-GOSISDBHSA-N 417.918 3.789 0 50 HHAA COc1cccc(C(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1 4700375 RIOZLCRBQBTOKJ-UHFFFAOYSA-N 414.505 3.812 0 50 HHAA O=C(COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccc(Cl)cc1 100635599 RLCLQYOWGDOQQY-PBFVBANWSA-N 407.853 3.913 0 50 HHAA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccccc4Cl)c(=O)n1c23 100663073 PZEVZXWJGSJMAL-NSHDSACASA-N 400.837 3.937 0 50 HHAA O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)[C@H]2C=C[C@H]1C2 101289730 XLGKCUXOTWEAMG-GPHNJDIKSA-N 416.477 3.741 0 50 HHAA COc1cccc(C(=O)[C@@H]2CCCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 20778192 YBTOGCMWWUFSLW-HXUWFJFHSA-N 419.525 3.588 0 50 HHAA COCCN1CCN(Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC1 22932630 QUUTWBYPJVWNSV-UHFFFAOYSA-N 406.530 3.643 0 50 HHAA O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)c1ccc[nH]1 72407814 BKJZWMQIOMCENJ-UHFFFAOYSA-N 401.470 3.502 0 50 HHAA O=C(O)C[C@@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)c1ccccc1 238169861 MFFBUTUBJVRAAF-CQSZACIVSA-N 414.259 3.785 0 50 HHAA COCCn1ccc2cc(C(=O)N[C@H](CC(C)C)c3nnc4ccccn34)ccc21 252494081 NKKGYBHFUXTPOZ-LJQANCHMSA-N 405.502 3.848 0 50 HHAA CC(C)Oc1cccnc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 408526064 UTOQVWYOSWIYDP-UHFFFAOYSA-N 411.483 3.922 0 50 HHAA O=C(c1ncccc1Br)N(Cc1ccccc1)C[C@@H](O)c1ccco1 793626207 UKAXLGOZRLCOOO-MRXNPFEDSA-N 401.260 3.813 0 50 HHAA O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1 1213299 ATWDFEJHNNGEBG-RMKNXTFCSA-N 401.919 3.703 0 50 HHAA CCSCc1nnc2sc(-c3ccccc3I)nn12 1772491340 BRUXRWUKWNUPPU-UHFFFAOYSA-N 402.286 3.711 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2csc(C)n2)C1 12590616 CVKZYZUOFQSJOV-HXUWFJFHSA-N 408.470 3.758 0 50 HHAA COc1cccc(CNC(=O)c2sc3ncnc(NCc4ccccn4)c3c2C)c1 15004429 DABUVVGUJUUFJX-UHFFFAOYSA-N 419.510 3.945 0 50 HHAA COC(=O)c1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)nc1 15072446 GGEWAFAMBUSCIX-LJQANCHMSA-N 422.460 3.637 0 50 HHAA CSc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(=O)N1CCCC1 16647847 ZZRGJPJPHZAYBH-UHFFFAOYSA-N 416.568 3.786 0 50 HHAA O=C(CSc1nnnn1Cc1ccccc1)n1c2c(c3c1CCCC3)CCCC2 1127777 RLLQCTKOQHCJQI-UHFFFAOYSA-N 407.543 3.713 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 1114839 WTXMRWMHIZVXDY-UHFFFAOYSA-N 409.511 3.998 0 50 HHAA Cc1c(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)[nH]c2c(F)cccc12 2356138099 DZWAORJIQDODOV-QHCPKHFHSA-N 407.493 3.592 0 50 HHAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc2c(c1)OCO2 4278841 KHDKUUBVGXKTDT-UHFFFAOYSA-N 402.406 3.583 0 50 HHAA Cc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2ccccc21 10156753 FLQXGAZPXOKRFM-UHFFFAOYSA-N 419.868 3.753 0 50 HHAA Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCc2cn3ccccc3n2)cc1 225486186 GSNCMCOJXAZIAG-FQEVSTJZSA-N 408.502 3.567 0 50 HHAA C[C@@H](Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 9763630 KYALURAKTUIPDM-GFCCVEGCSA-N 415.902 3.839 0 50 HHAA C[C@H](c1ccon1)N(C)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67606025 MYZNRSXCVJHJQI-QGZVFWFLSA-N 408.502 3.951 0 50 HHAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)c3cccc(OC)c3)C2)c1C 11765911 OFMOFMWSAUQBBQ-KRWDZBQOSA-N 412.486 3.552 0 50 HHAA C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(=O)N[C@H]1CCCC[C@@H]1C 252517116 ZUOJLEWMULMDKS-WSMBLCCSSA-N 403.504 3.758 0 50 HHAA COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc(C(N)=O)c1C 17089461 ADNSNLZDZOAITR-GQCTYLIASA-N 413.282 3.901 0 50 HHAA Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC[C@H]4CCCO4)c3N2)cc1 239274921 AYCMIEKRSQVYSU-PVAVHDDUSA-N 408.424 3.761 0 50 HHAA CC(C)(C)N1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 248216576 GIVXEPLJHRKPOA-BVBHFADKSA-N 406.507 3.615 0 50 HHAA Cc1ccc(NC(=O)C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc1 170641748 LTEWFWMVUIHELL-UHFFFAOYSA-N 403.486 3.866 0 50 HHAA COc1cc(C)ccc1CN1C[C@@H]2CN(Cc3cccc(SC)c3)C[C@@]2(CO)C1 1772708576 IQOLTSAUJPBLNE-URXFXBBRSA-N 412.599 3.652 0 50 HHAA CCCCn1c(CN(C)CCC2CCOCC2)cnc1S(=O)(=O)CC1CCC1 11819945 KVXQIKWJHBWXCG-UHFFFAOYSA-N 411.612 3.506 0 50 HHAA Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2ccc(F)cc2F)C3)n1 11881723 BJOFFWGSRCHYEH-MRXNPFEDSA-N 413.399 3.911 0 50 HHAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN([C@H]2CCSC2)CC1 12201271 JJVGDQNHFADZMV-INIZCTEOSA-N 401.536 3.678 0 50 HHAA COc1ccc(C(=O)N2CCC[C@@H]3CN(CCc4ccccc4)CC[C@@H]32)c(OC)c1 14991004 CLBKPPHDNMZZJX-OFNKIYASSA-N 408.542 3.873 0 50 HHAA O=C(N[C@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1)c1cc(F)ccc1F 169775338 WMKMZICNKHEXJG-INIZCTEOSA-N 400.404 3.893 0 50 HHAA Cc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3NS(C)(=O)=O)C2)cc1 242263289 XXRDSTNTSIECHH-FQEVSTJZSA-N 423.494 3.951 0 50 HHAA COC(=O)[C@](C)(NCC(=O)Nc1ccc(Br)cc1C)c1ccc(F)cc1 463445182 UFCMJWSRRLPMFT-LJQANCHMSA-N 423.282 3.513 0 50 HHAA CSCC[C@H]1NC(=S)N([C@H](C)c2ccc(OCc3cccnc3)cc2)C1=O 1875315112 IWXFIXDLGQXQPZ-RDTXWAMCSA-N 401.557 3.560 0 50 HHAA COC(=O)c1cc(Br)ccc1NC(=O)c1cc2ccccc2oc1=O 942064 GMWJMKXCXPKQSU-UHFFFAOYSA-N 402.200 3.594 0 50 HHAA COC(=O)c1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 1130460 MMEHHSAYPCXIND-FQEVSTJZSA-N 416.477 3.854 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@H](CC(=O)NCc2ccccc2)c2ccccc2)cc1 3464448 YPTONOCIAPTGJE-JOCHJYFZSA-N 408.523 3.721 0 50 HHAA C[C@@H](CNC(=O)CN1CCCCC1)Oc1cccc(CN(C)Cc2ccsc2)c1 11783223 MFHYMMHOTKVIML-IBGZPJMESA-N 415.603 3.750 0 50 HHAA COc1ccccc1-c1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)[nH]n1 11820021 TYBUGCYZPSUXQW-SFHVURJKSA-N 422.504 3.961 0 50 HHAA Cc1ccccc1C(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccsc2)C1 11969158 QSTUCXLLWPWEFA-UHFFFAOYSA-N 405.523 3.888 0 50 HHAA Cc1ccc(CN2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)o1 12054788 PRDWOIUOIQIZSD-DEOSSOPVSA-N 420.557 3.917 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@H](C(=O)NCCc4ccccc4F)C3)nc2c1 12097224 KNXHJPMPYQDFMF-IBGZPJMESA-N 406.505 3.961 0 50 HHAA CC(C)c1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)cc1 12204858 XDJYQRKDPPXYFE-YADHBBJMSA-N 400.563 3.619 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)sc3C)C2)cc1OC 12386102 RFZIUKXDESZPBN-MRXNPFEDSA-N 423.556 3.666 0 50 HHAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CCCCCN2C)CC1 12458935 UUHZMHSFRCELPX-FQEVSTJZSA-N 420.981 3.929 0 50 HHAA O=C(NC1CCCCC1)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 12585056 YPYXTGDIZIGIKI-UHFFFAOYSA-N 407.514 3.828 0 50 HHAA Cc1cccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)n1 14972267 IGUVDUDQEPNWSV-QFIPXVFZSA-N 417.513 3.826 0 50 HHAA Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1Cl 19782493 FTDKFVGTQUXECW-LJQANCHMSA-N 418.324 3.756 0 50 HHAA CCOC(=O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3cnn(C)c3C)nc21 20604554 NMJJATSZMDAMDG-UHFFFAOYSA-N 407.396 3.600 0 50 HHAA CCOC(=O)[C@H](O[C@H](C(=O)OCC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 25629773 RBCNFZPNADGEDT-OLQVQODUSA-N 424.919 3.607 0 50 HHAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N3CCC[C@H]3C)nc2c1=O 72462806 SMLFLPPVDBIYSC-MRXNPFEDSA-N 408.477 3.893 0 50 HHAA CC1=C[C@@H](c2ccc(Cl)cc2)n2nc(NS(=O)(=O)c3ccc(C)cc3)nc2N1 100835204 NVSLSCZRXVATGJ-KRWDZBQOSA-N 415.906 3.959 0 50 HHAA Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccccn1 101232127 MJQGWYFYAQTZTH-HKBOAZHASA-N 403.413 3.580 0 50 HHAA COc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)cc1F 169754023 QJOQHJGMYGVYLQ-MRXNPFEDSA-N 414.868 3.887 0 50 HHAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O)CC3 170625184 KRNFTRBUTRDCLO-QHCPKHFHSA-N 417.509 3.742 0 50 HHAA biogenic CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 170640307 UYIXSMGFFKBCKE-MGPUTAFESA-N 400.475 3.684 0 50 HHAA O=C(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@H]21 230133052 OGZDZKXHQKZCSV-KZNAEPCWSA-N 411.329 3.768 0 50 HHAA O=C(NC[C@@H](NCc1ccccc1)C(F)(F)F)Nc1cc(C(F)(F)F)ccn1 240471663 GDQGKEXBQJYRKB-CYBMUJFWSA-N 406.330 3.943 0 50 HHAA Cc1cc(NC(=O)CN[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)n(C(C)(C)C)n1 253417382 SBSQIYPSGJBGMP-ZSZQSSIHSA-N 421.586 3.509 0 50 HHAA CC(C)(C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1)c1cccnc1 801247903 NNVIUQGIOWYIEA-UHFFFAOYSA-N 408.420 3.768 0 50 HHAA Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCC[C@H](C3CCCC3)C2)c1C 1472376927 MJTZBUNWDZWOSJ-FQEVSTJZSA-N 406.592 3.627 0 50 HHAA COCCc1noc([C@@H]2CCCN(C3CCN(c4ccc(F)cc4C)CC3)C2)n1 1506404240 BMDWNTHQHWIDOT-QGZVFWFLSA-N 402.514 3.554 0 50 HHAA c1cc(OCCCCN2CCOCC2)cc(-c2nccn2CC[C@H]2CCCOC2)c1 1857672667 JJORZDBSOYZTEK-OAQYLSRUSA-N 413.562 3.858 0 50 HHAA COc1cccc([C@H]2C[C@H](C)CN2C(=O)C(=O)Nc2cnc3c(F)cccc3c2)c1 1875300054 JDSUOFYYNLRAEG-VBKZILBWSA-N 407.445 3.931 0 50 HHAA COc1ccc(-c2ccc(CCC(=O)OCCOc3cncc(Cl)n3)o2)cc1 2325709759 MNGVAKTYGZIJBO-UHFFFAOYSA-N 402.834 3.953 0 50 HHAA CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccccc1 835050 ASMWQOKUMNXOLK-UHFFFAOYSA-N 408.523 3.625 0 50 HHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 2517111 RMRKPGGMJKNMSK-IBGZPJMESA-N 411.454 3.710 0 50 HHAA in-vitro O=C(NCCCN1CCCC1=O)c1cc(-c2cccnc2)nc2ccc(Cl)cc12 2868125 NIYAZSLKHORBIQ-UHFFFAOYSA-N 408.889 3.693 0 50 HHAA COc1ccc(OC)c(CC(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)c1 12198631 CZSQNHYIMKRZQP-IBGZPJMESA-N 400.494 3.508 0 50 HHAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)nn1 12211811 NSELWRHEZMOQOW-KRWDZBQOSA-N 409.456 3.616 0 50 HHAA CCN(Cc1ccncc1)C(=O)c1cc(COc2ccc(OC)cc2Cl)on1 12308691 NKZSLLXKWAPBIY-UHFFFAOYSA-N 401.850 3.973 0 50 HHAA O=C(N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1cccc2nccnc12 14979960 VODGDXLIGAYTSW-GOSISDBHSA-N 405.408 3.901 0 50 HHAA CCOc1ccc(CN2CCN(Cc3cccc4cccnc34)C[C@@H]2CCO)cc1 20998151 DYZUQNYFBBZWBS-QHCPKHFHSA-N 405.542 3.702 0 50 HHAA CCCN(C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)C1CCCC1 82083824 UMOOROUJGKDEKU-QFIPXVFZSA-N 412.622 3.939 0 50 HHAA COc1ccc([C@H]2OC[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)cc1OC 96321434 MFIHSKBTNZNJIK-FRMGNDQPSA-N 416.470 3.805 0 50 HHAA O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1C[C@H]2CC[C@H]1C2 102006487 MYVSFAPYVMPIMO-PXNSSMCTSA-N 402.542 3.860 0 50 HHAA CN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)c1 169753791 GGEKQYKYAMNFFH-GOSISDBHSA-N 409.921 3.805 0 50 HHAA Cc1noc(-c2ccc(C(=O)NC3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2)n1 170601157 CPCQKGCKSVFHSP-UHFFFAOYSA-N 400.479 3.564 0 50 HHAA O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CC(O)(c2ccc(F)cc2)C1 252494068 NKECSYULZAFBKY-GOSISDBHSA-N 400.450 3.509 0 50 HHAA COC(=O)c1cn([C@H](c2nc3ccccc3n2C(C)C)C(C)C)cc2c(=O)[nH]nc1-2 263588050 OLSFENPBTZGNNX-IBGZPJMESA-N 407.474 3.639 0 50 HHAA Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)c(-n2cccc2)s1 1447214571 ZYXVKISUABPLOX-QGZVFWFLSA-N 423.538 3.944 0 50 HHAA Cn1ccnc1C(=O)N1CCC(C2CCN(Cc3cccc(Cl)c3)CC2)CC1 1857721244 GKWBFLJMAIUHCE-UHFFFAOYSA-N 400.954 3.838 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(C(=O)N3C4CC5CC(C4)CC3C5)s2)CC1 1875342971 BIMOFVKOCYUNPD-UHFFFAOYSA-N 408.589 3.572 0 50 HHAA CC(C)Cn1ccc2c(C(=O)NS(=O)(=O)c3cccc4cccnc34)cccc21 1875344289 BARHNAMYXDRQMG-UHFFFAOYSA-N 407.495 3.964 0 50 HHAA C[C@@H](NC(=O)CCNC(=O)c1cc2ccccc2[nH]1)c1cc(-c2ccccc2)on1 2325873871 XBXFQZXETCFFPS-OAHLLOKOSA-N 402.454 3.820 0 50 HHAA COc1cc2c(O)cc(C(=O)O)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC 1672459 VZTKXOGSLJCWDJ-UHFFFAOYSA-N 414.410 3.954 0 50 HHAA CN(C)CCCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 2866639 WCLDBLCDGDYBQM-UHFFFAOYSA-N 403.479 3.677 0 50 HHAA COC(=O)c1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1 2870579 TWPSJDDYKQEMMK-SFHVURJKSA-N 423.860 3.646 0 50 HHAA CCOc1ccc(N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(C)cc2)cc1 2965937 LMOUERBVZMHJCE-KRWDZBQOSA-N 404.532 3.504 0 50 HHAA COc1ccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)cc1F 11879611 MDQHNCAPICFHBF-SFHVURJKSA-N 414.521 3.870 0 50 HHAA CC(C)N1CCC[C@H](CNC(=O)CCc2nnc(CCCCc3ccccc3)o2)C1 12571946 QYEKTTLOOHVOEH-OAQYLSRUSA-N 412.578 3.804 0 50 HHAA COc1ccc(Cn2c3c(cc(-c4ccncc4)c2=O)CN(C2CCC2)CC3)cc1 14742926 LWMBQDGNZBSDJY-UHFFFAOYSA-N 401.510 3.878 0 50 HHAA COc1ccc2c(C)nc(N3CCC[C@@H](C(=O)NCCc4cccc(F)c4)C3)nc2c1 14879806 NGYXDWNLMHOZPM-GOSISDBHSA-N 422.504 3.661 0 50 HHAA O=C(Nc1nnc(SCC(=O)N2CCCC2)s1)c1ccc(Cl)cc1Cl 16183950 CADFCYZOTCLKSZ-UHFFFAOYSA-N 417.343 3.812 0 50 HHAA Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)nc(N2CCCCC2)n1 65363484 ZCLQYBSXWPRYLC-UHFFFAOYSA-N 412.513 3.577 0 50 HHAA COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(Cl)cc1F 72437856 SSRGRLQEROASRU-UHFFFAOYSA-N 412.870 3.525 0 50 HHAA COc1cc(/C=C/C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)ccc1OC(C)C 170601489 RHBHUIACBDZSRP-ZRDIBKRKSA-N 421.501 3.781 0 50 HHAA Cc1ccc2c(c1)N(C(=O)CN1C(=O)N[C@](C)(c3ccc4ccccc4c3)C1=O)CC2 746818576 IUZSBFRBJILHEW-RUZDIDTESA-N 413.477 3.505 0 50 HHAA Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)CCC2=O)cc1C 760371879 NBEQWPRKTKCEGB-PXNSSMCTSA-N 419.525 3.809 0 50 HHAA Cc1ccc(NC(=O)N[C@H]2CCc3ccccc3NC2=O)cc1C(=O)N1CCCCC1 1217171448 VDVNRNIWLFHMTH-NRFANRHFSA-N 420.513 3.696 0 50 HHAA COc1cc(CCC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)ccc1C 1615937457 VKCIXDPOKCWNHR-NFBKMPQASA-N 404.510 3.858 0 50 HHAA COc1ccc(C(=O)NCC2(O)CCCCC2)cc1Oc1cc(F)cc(CN)c1 1857694876 KYACLLYYLBUPCD-UHFFFAOYSA-N 402.466 3.510 0 50 HHAA CCN(C)c1nc(C(C)(C)C)nc2c1CC[C@]21CCCN(C(=O)c2cccnc2)C1 1875245340 VUSPWSAHYHJRHR-DEOSSOPVSA-N 407.562 3.745 0 50 HHAA CCO[C@@H](C(=O)N1CCC[C@@H](n2cc(-c3ccc(OC)cc3)nn2)C1)C1CCCC1 1875338161 OPIRUNOVIZCTMU-DENIHFKCSA-N 412.534 3.713 0 50 HHAA Cc1cc(C)cc([C@H](NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)C(=O)O)c1 2325877427 QUUXUQFOTQLHRY-SFHVURJKSA-N 416.840 3.541 0 50 HHAA CCCc1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)s1 959428 YWLWKWBYQUZBNU-UHFFFAOYSA-N 416.297 3.531 0 50 HHAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1121435 QHMQPIBKEFUCOF-UHFFFAOYSA-N 410.948 3.855 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Oc1cccc2cccnc12 1151910 XIJJSBRAYOLXCE-UHFFFAOYSA-N 410.495 3.937 0 50 HHAA NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 1181273 DPHCFJKMINZSIQ-UHFFFAOYSA-N 421.272 3.609 0 50 HHAA COc1cc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2ccccc2)cc(OC)c1OC 1201869 UXYJLMXMKNPFOW-NBVRZTHBSA-N 422.437 3.715 0 50 HHAA COc1ccc(NC(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCCC4)cc1OC 2744185 DIKPNYVDBMYOHI-UHFFFAOYSA-N 420.391 3.896 0 50 HHAA O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(F)cc1F 2836325 POMOZYVPJHRGQA-UHFFFAOYSA-N 401.232 3.619 0 50 HHAA CC(C)CC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl 3130661 LRFOHJSEZRBIPO-LBPRGKRZSA-N 400.734 3.971 0 50 HHAA O=C(NCCCn1ccnc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 9060446 WXRPAOCTKMQIHF-RDJZCZTQSA-N 418.423 3.560 0 50 HHAA CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCCO5)c3)nn12 9594472 HACCXFASUHOFHL-UHFFFAOYSA-N 421.482 3.747 0 50 HHAA Cc1cccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)c1C 11697684 KSSCUHMSJGSLSB-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA COc1ccc(OC)c2nc(N3CCOCC3)c(CNCc3ccccc3F)cc12 11880256 LWRKCDTWOYFTGA-UHFFFAOYSA-N 411.477 3.518 0 50 HHAA CCOc1ccc2nc(N3CCC[C@H](C(=O)N(C)Cc4ccccn4)C3)nc(C)c2c1 12152963 JTTDRRVJLUJGOX-SFHVURJKSA-N 419.529 3.607 0 50 HHAA COC(=O)CCC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 12198860 HKDKRVIAMAMVHC-CQSZACIVSA-N 414.424 3.616 0 50 HHAA CCCN1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2CCCOC 14540536 ZUSOVVROXPSDBC-UHFFFAOYSA-N 423.557 3.885 0 50 HHAA COC(=O)c1cc(CNC(=O)[C@H]2CCOC(C)(C)C2)cc(NC(=O)c2ccccc2)c1 14960008 PJNONYAZOIWJEL-SFHVURJKSA-N 424.497 3.547 0 50 HHAA O=C(CCC1CCN(C(=O)Cc2ccsc2)CC1)Nc1ccc2c(c1)OCCO2 14969786 JPJSRIJLSLRCOP-UHFFFAOYSA-N 414.527 3.719 0 50 HHAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)CSc2ncccn2)C1 15075919 AZTWOYSAMZEGAO-AWEZNQCLSA-N 409.433 3.709 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3F)n2)ccc1C 16625039 HWPUDYSHEUDTDJ-OAHLLOKOSA-N 422.460 3.906 0 50 HHAA COc1cccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 17748243 IMTUFPTYEPFILR-KFKAGJAMSA-N 407.466 3.883 0 50 HHAA Cc1c(CN2CCC[C@H](N(C)CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C 20166096 NSFZYIILAWDYSK-DEOSSOPVSA-N 418.585 3.623 0 50 HHAA Cc1ccnc(S[C@@H]2C[C@@H](C(=O)N(C)C)N(C/C(Cl)=C/c3ccccc3)C2)n1 64045254 AFZOQDXMZDMIFD-JAHOTQIWSA-N 416.978 3.688 0 50 HHAA COc1cccc([C@H](NC[C@@H](O)COc2cccc3[nH]ccc23)c2ccccn2)c1 170598105 KGTNEDVNHDVXBP-KOSHJBKYSA-N 403.482 3.690 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)O)c2C(N)=O)C1 239174504 QDVGFMMSWZDTEO-BPLDGKMQSA-N 404.532 3.748 0 50 HHAA COc1ccc(C2(C(=O)NC[C@@H](O)c3ccccc3C(F)(F)F)CCOCC2)cc1 762385900 NYRIKXAMZGCPIQ-LJQANCHMSA-N 423.431 3.612 0 50 HHAA CC(C)c1ccc(N2C[C@H](C(=O)N(C)Cc3nc(O)c4sccc4n3)CC2=O)cc1 952969568 GDEOTHDNWYTEEG-OAHLLOKOSA-N 424.526 3.532 0 50 HHAA COCC(=O)Nc1ccc(NC(=O)[C@]2(c3ccc(F)cc3)CC2(C)C)cc1OC 952988238 CFLIICAUHKNCKX-JOCHJYFZSA-N 400.450 3.726 0 50 HHAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccc(C)c(C)c1)C2 1857686806 IOTZBLJAWFGBEX-VDKIKQQVSA-N 414.590 3.560 0 50 HHAA Cc1nc2c([nH]1)CN(C(=O)C[C@H]1CCCN(c3nc4ccc(Cl)cc4o3)C1)CC2 1857727405 QZJOFUMDRGIQHP-CQSZACIVSA-N 413.909 3.704 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2csc(-c3ccc(Br)cc3)n2)C1 1875371759 LGHSRTHXMUARGY-CYBMUJFWSA-N 420.332 3.936 0 50 HHAA CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cc1ccc2oc(O)nc2c1 2325861232 JZWRITDHRYLVKZ-VOJFVSQTSA-N 419.275 3.731 0 50 HHAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(Br)c(OC)cc2OC)C1 755641 RXDPONQDDAGSEL-CQSZACIVSA-N 413.356 3.547 0 50 HHAA CC1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1 880165 OVDSCDCCGRPGKV-UHFFFAOYSA-N 406.935 3.794 0 50 HHAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 1163205 VEOIQKIFEUBCRS-UHFFFAOYSA-N 412.555 3.595 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCSCC4)cc3n2)cc1 1216320 GTFFRCRFPPNQPG-UHFFFAOYSA-N 422.432 3.613 0 50 HHAA CC(C)(C)OC(=O)CN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 2547867 FZHJLRKZIINJMC-UHFFFAOYSA-N 411.454 3.664 0 50 HHAA in-vitro O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Br)c2cccnc12 2809724 NGTWOQIUEPBNJX-UHFFFAOYSA-N 419.300 3.800 0 50 HHAA O=C(NCCOc1ccccc1Cl)c1cccc(I)c1 2839097 PRCNHRANPLSVIQ-UHFFFAOYSA-N 401.631 3.753 0 50 HHAA COc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1 4040719 IIRZHSCSYDBRNC-UHFFFAOYSA-N 404.422 3.827 0 50 HHAA biogenic COc1ccc(C2(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CCOCC2)cc1 4181358 NPFYYCIDEIBEFO-UHFFFAOYSA-N 408.498 3.618 0 50 HHAA O[C@H](COc1ccc(CNCCn2ccc3ccccc32)cc1)CN1CCCCC1 11818505 VTQVETSCBYWVKX-QHCPKHFHSA-N 407.558 3.657 0 50 HHAA COc1ccc(CC(=O)NC[C@H]2Cc3cc(-c4cccnc4)cc(F)c3O2)cc1OC 12149990 WQRZMCGSLCXIFK-LJQANCHMSA-N 422.456 3.567 0 50 HHAA CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccoc3)C2)c1)Cc1cnn(C)c1 12160786 XLBYMEOUBCDNEF-HXUWFJFHSA-N 422.529 3.576 0 50 HHAA COc1ccc(S(=O)(=O)N2CCC(CCC(=O)Nc3cccc(C)c3)CC2)cc1 12198953 JEAPXPNYNXKIHM-UHFFFAOYSA-N 416.543 3.823 0 50 HHAA O=C(c1ccco1)N1CCC[C@@H](COc2ccc(CN3CCSCC3)cc2)C1 12283185 ZRYYZRYBBUKQTH-LJQANCHMSA-N 400.544 3.760 0 50 HHAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](N(C)CCc3ccccc3)C2)c1C 12315945 JKUZNKPZYCBMNR-HXUWFJFHSA-N 411.546 3.587 0 50 HHAA COc1ccc(/C=C/CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1 12373348 MRZOBYROKNDFPC-UKKYDJSUSA-N 413.606 3.753 0 50 HHAA Cc1cc(=O)c(C(=O)N(C)Cc2cccs2)c(C)n1C[C@@H]1COc2ccccc2O1 14885208 GWTGAHQANKVGLU-QGZVFWFLSA-N 424.522 3.639 0 50 HHAA Cc1nc2sccn2c1CN1CCC[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 15065413 DRYXOFIRMYEDQU-QGZVFWFLSA-N 420.542 3.741 0 50 HHAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(C)[C@H](C)c2ccon2)CC1 15074530 VPTLWJCYGIFUSS-CYBMUJFWSA-N 405.882 3.551 0 50 HHAA COc1cc(CNCCc2cccc(Cl)c2)ccc1OC[C@@H](O)CN1CCCC1 15078099 QMTWSANKOHZGCJ-NRFANRHFSA-N 418.965 3.516 0 50 HHAA O=C(Nc1ccncc1)c1cc(S(=O)(=O)NC2CCCC2)c(Cl)cc1Cl 16606936 XKLCZRUDFSCFBY-UHFFFAOYSA-N 414.314 3.862 0 50 HHAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 17092588 CYLKWFUZMQHLER-UHFFFAOYSA-N 421.296 3.778 0 50 HHAA Cc1cc(C)c(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)c(-n2cccn2)c1 22852437 LTVYVQZJRFFSKI-OAQYLSRUSA-N 410.587 3.619 0 50 HHAA CN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc5c(c4)CCCC5)on3)cc21 28403983 XDDWWSSLGKSWOH-UHFFFAOYSA-N 403.438 3.828 0 50 HHAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(c3ccnc(N)n3)C2)cc1 95511575 LTEVRZHMUVDODN-KRWDZBQOSA-N 403.486 3.590 0 50 HHAA CCN1CCC(c2cc(C)c3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3c2)CC1 148492805 ZACWYYKZMLGOTG-UHFFFAOYSA-N 416.529 3.529 0 50 HHAA O=C(c1cccc(Cl)c1)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169778040 UDEJNXSNSLHZTI-QGZVFWFLSA-N 420.860 3.736 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c(C)c1C 170633452 WTUNSWJQWHFQFH-UYAOXDASSA-N 405.516 3.795 0 50 HHAA CC(C)c1nc(CNC(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)cs1 200566877 DAPAJEPYLADRAM-UHFFFAOYSA-N 409.515 3.971 0 50 HHAA C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccccc4)c3)C(=O)[C@H]2C1 239412360 SPCBYVGBRINFHK-XPGWFJOJSA-N 405.450 3.652 0 50 HHAA COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]([C@H]3C2=O)[C@H]2ON=C(c3ccccc3Cl)[C@@H]42)cc1 248140647 PTFIIWPTYOUWQC-WVMUJXQSSA-N 422.868 3.523 0 50 HHAA Cc1sc(CCNC(=O)c2ccc(N3CCNC3=O)cc2)nc1-c1ccccc1 409668228 XPVZCRTZHWYXMT-UHFFFAOYSA-N 406.511 3.621 0 50 HHAA O=C(NCc1ccnc(OC2CCOCC2)c1)c1ccc(Oc2cccnc2)cc1 499890461 IAECVOYICVZASG-UHFFFAOYSA-N 405.454 3.757 0 50 HHAA O=C(CCC1CCN(C(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)CC1)Nc1ccc2c(c1)OCCO2 1565505863 KDHQOTPUCKQUHL-NSHGMRRFSA-N 410.514 3.627 0 50 HHAA CCCn1nc(Cc2ccc(OC)cc2)nc1[C@@H]1CCCN(Cc2ncc[nH]2)CC1 1772807863 URIZNJFGIZMJMR-LJQANCHMSA-N 408.550 3.780 0 50 HHAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NCc1ccc2ccccc2n1 1857700775 LMZUAZHOAKVUDK-INIZCTEOSA-N 401.470 3.694 0 50 HHAA COc1ccc(Cl)cc1C(=O)N1CC[C@]2(C1)C(=O)N(CC1CC1)c1ccccc12 2100537618 RXYIHDRUEQRGSB-HSZRJFAPSA-N 410.901 3.889 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)cc1 652432 DRYNNGBUJCIXDG-RBUKOAKNSA-N 416.499 3.625 0 50 HHAA Cc1cc(I)ccc1NC(=S)NC(=O)c1ccc(F)cc1 724690 DYQTZXMNBCYECZ-UHFFFAOYSA-N 414.243 3.866 0 50 HHAA COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc(Cl)cc3)C2)cc1OC 890349 VCQQLXDZKSPAHO-QGZVFWFLSA-N 416.861 3.900 0 50 HHAA O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 1142804 ISKVRBXOZCATCX-UHFFFAOYSA-N 408.907 3.863 0 50 HHAA O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21 2583280 JZSULZSNDXGGHP-DHIUTWEWSA-N 417.461 3.582 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)NCCO)C1 2986846 ORJJRBNSWULZQH-GFCCVEGCSA-N 406.573 3.935 0 50 HHAA COc1ccc(NC(=O)[C@@H](NC(=O)Cc2cccs2)c2ccc(OC)cc2)cc1 3615228 GBHJFOBQBDRBGL-NRFANRHFSA-N 410.495 3.804 0 50 HHAA O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NC1CCCCC1 4313863 VADZKTMNVFWYMG-UHFFFAOYSA-N 406.935 3.984 0 50 HHAA CCCCCn1cc2c(c1-c1ccccc1Br)c(=O)n(C)c(=O)n2C 6766088 QKNUTWJGOUDIOJ-UHFFFAOYSA-N 404.308 3.658 0 50 HHAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 11704784 OJBGQDBVLRNHQS-FQEVSTJZSA-N 412.603 3.518 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cc2ccccc2oc1=O 11769190 NBJRZGOWEOEDFZ-UHFFFAOYSA-N 422.500 3.959 0 50 HHAA COC1CCN(Cc2cc(Cl)ccc2OC[C@H](O)CN2CCCCCC2)CC1 12373516 DIMJSCUULTYOQA-HXUWFJFHSA-N 410.986 3.567 0 50 HHAA CCn1ccnc1CN(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 12433349 PZPMXZPSMWXHAL-QFIPXVFZSA-N 414.569 3.935 0 50 HHAA CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 12571633 IZBOBCVICSPNKG-HSZRJFAPSA-N 405.542 3.593 0 50 HHAA CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1c(F)cccc1F)CC2 14731922 RXRUXZJQLNRFBV-UHFFFAOYSA-N 411.452 3.945 0 50 HHAA O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CCN(C(=O)C1CCOCC1)CC2 14991938 HNLZGJPQOQVWQR-JOCHJYFZSA-N 424.585 3.670 0 50 HHAA CC[C@H]1CCCCN1Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC 15075008 VYPPNMSBZAPXSF-IBGZPJMESA-N 411.612 3.648 0 50 HHAA CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 17089158 NBCMBGKHRJMGEP-HZPDHXFCSA-N 412.467 3.809 0 50 HHAA Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ncn(Cc4cccc(F)c4)n3)sc21 20616189 SAJLSKJSLOJEFT-UHFFFAOYSA-N 424.383 3.685 0 50 HHAA Cc1nnsc1C(=O)N1CCc2ccc(NC(=O)c3ccccc3Cl)cc2C1 23192878 WYAGYYCRXWUNFV-UHFFFAOYSA-N 412.902 3.951 0 50 HHAA CCN(CC)C[C@H](O)COc1cc(CNCCc2ccccc2Cl)ccc1OC 23398298 BJNFOZXTFVSSCC-FQEVSTJZSA-N 420.981 3.762 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c(Cl)c1 72436795 XFGOFWMTWIQYCM-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA Cc1ccnn1CCC(=O)N(C)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 77345050 IWVRXLGWAGDTAJ-HXUWFJFHSA-N 402.970 3.648 0 50 HHAA Cc1ccc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C(C)C)cc5)C(=O)[C@@H]24)O3)o1 77378535 SMGKCXAPGHOZLS-FUCAVZNHSA-N 420.509 3.656 0 50 HHAA Cc1ccc(C[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]2C)cc1 100564143 BJAJDJPXPQLWCD-CXAGYDPISA-N 419.262 3.968 0 50 HHAA Cc1ccc(C[C@H](CNC(=O)c2ccc(NC(=O)c3ccco3)s2)C(=O)O)cc1 170672594 ALBSZMCWUVIVSI-OAHLLOKOSA-N 412.467 3.575 0 50 HHAA COc1cc2c(cc1OC)[C@@H]1C[C@H](OC(=O)[C@H](N)C(C)C)[C@H](CC(C)C)CN1CC2 197586708 GEJDGVNQKABXKG-XDTJVVMOSA-N 418.578 3.564 0 50 HHAA in-vitro N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1CCNc1ncccn1 253535820 GIJGCWXUZLSHDE-UHFFFAOYSA-N 412.906 3.928 0 50 HHAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCC(c2ccccc2C(=O)O)CC1 783966061 WGGXGHQRWJEBTE-QHCPKHFHSA-N 420.509 3.627 0 50 HHAA CN(CCOc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1C(=O)c1ccccc1 913129556 SOCIPGYUARXMAW-HXUWFJFHSA-N 400.906 3.872 0 50 HHAA O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 1226548742 UTOPCKXUQIOHSS-WBADGQHESA-N 422.525 3.770 0 50 HHAA O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)C1=NN(c2ccc(F)cc2)C(=O)CC1 1465840117 XXCKNJCMKKVWQL-UHFFFAOYSA-N 413.359 3.616 0 50 HHAA N[C@@H]1C[C@@H](c2nc(-c3c[nH]c4ccccc34)nn2Cc2ccc(F)cc2)CC[C@H]1O 1857710053 FXSGJLCTXKRZBC-NYSBEXSLSA-N 405.477 3.570 0 50 HHAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N2C[C@H]3C[C@H](CN(C(C)C)C3)[C@@H]2CCCC(=O)N1 1857713084 DFTPDFUXKSLFIY-TWGBQZSLSA-N 405.627 3.675 0 50 HHAA CCn1cc(C(=O)Nc2ncc(Cc3cccc(C)c3)s2)c(-c2cnn(C)c2)n1 1875261704 OHJGKYLZYLJMBY-UHFFFAOYSA-N 406.515 3.912 0 50 HHAA CCOC(=O)c1sc2ncn([C@H](CC)C(=O)OCc3ccccc3)c(=O)c2c1C 921194 MSCAXAGYRKYRSF-OAHLLOKOSA-N 414.483 3.638 0 50 HHAA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 2818605 LNZAOHAISYUCRR-UHFFFAOYSA-N 420.531 3.767 0 50 HHAA COc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 4487174 HDCMSZHUVPQCNX-UHFFFAOYSA-N 401.488 3.653 0 50 HHAA O=C(c1ccc(CS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 6703210 VNYXEUCTHACBPX-UHFFFAOYSA-N 420.534 3.623 0 50 HHAA O=C(COc1ccc(Br)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 9031560 LFGHTHTWGYMNAY-UHFFFAOYSA-N 422.666 3.848 0 50 HHAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 11936291 SRDBXSKOQMRQHL-INIZCTEOSA-N 403.438 3.541 0 50 HHAA Cc1ccn(CC(=O)NC[C@@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)n1 12078417 NHXSTXFWYYWAPC-INIZCTEOSA-N 415.415 3.997 0 50 HHAA COCCNC(=O)c1cccc(OC2CCN(Cc3[nH]c4ccccc4c3C)CC2)c1 12586211 WFJAZNZCOQATQN-UHFFFAOYSA-N 421.541 3.896 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)C(=O)c2ccccc2)C1 12715518 ZRXMRKAYWHLURB-QHCPKHFHSA-N 415.436 3.562 0 50 HHAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccc(OC)cc1 14750636 BEGZQFDSXPYPFH-LJQANCHMSA-N 415.578 3.791 0 50 HHAA CN1C(=O)C[C@](CC(=O)N2CCC[C@H](c3ccccc3)CC2)(c2cccc(F)c2)C1=O 14970316 VSDXOMZBVUPCIW-DFBJGRDBSA-N 422.500 3.639 0 50 HHAA CC[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC 15075007 VYPPNMSBZAPXSF-LJQANCHMSA-N 411.612 3.648 0 50 HHAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 18148856 YKFAPIXMKVIBJU-QZTJIDSGSA-N 419.886 3.787 0 50 HHAA COc1cccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c1OC 19781712 LTPRPXLLUVNEHW-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA Cc1ncn(-c2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ncn2)c1C 72119167 HBQXAASRIJIFEP-UHFFFAOYSA-N 418.545 3.539 0 50 HHAA C[C@@H](C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCC(C)(C)C2)S(C)(=O)=O 170603851 PKEKDIATDKSZGZ-NSHDSACASA-N 415.577 3.590 0 50 HHAA C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(=O)N[C@@H]1CCCC[C@H]1C 252517115 ZUOJLEWMULMDKS-OEUWWYETSA-N 403.504 3.758 0 50 HHAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2cccc(NC(=O)C(C)C)c2)n1 952970917 DXCHHCJOWNUZLJ-CYBMUJFWSA-N 410.440 3.871 0 50 HHAA O=C(c1ccc(CSc2nc[nH]n2)o1)N1CCC[C@@H](c2nc3ccccc3o2)C1 1506426909 UEAWWNNIYQURIY-CYBMUJFWSA-N 409.471 3.851 0 50 HHAA O=C(c1ccn(C(F)F)n1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704339156 FFWIPZVIYDDBOG-QFIPXVFZSA-N 409.440 3.855 0 50 HHAA O=C(c1ccc[nH]1)N1C[C@@H]2CN(Cc3nccs3)C[C@]2(CCc2ccccc2)C1 1772818347 QRJBMIYPZDXVOD-WMZHIEFXSA-N 406.555 3.678 0 50 HHAA Oc1nc(C2CC2)nc2c1CC[C@]21CCCN(Cc2cnn(-c3ccccc3)c2)C1 1857731973 WIPJPKVTKPTUDC-DEOSSOPVSA-N 401.514 3.725 0 50 HHAA O=C(c1cn(CCc2ccccc2)nn1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822560 BOKMPCAHUSCBBF-UHFFFAOYSA-N 410.905 3.858 0 50 HHAA O=C(NCc1cccnc1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 978114 NFLWKLCVHMRUIV-UHFFFAOYSA-N 423.398 3.839 0 50 HHAA COC(=O)[C@@]12CCC3(SCCS3)[C@@](C(=O)OC)(CCC13SCCS3)C2 4012877 FDXBRLVRJYEIFL-GJZGRUSLSA-N 420.643 3.636 0 50 HHAA COC(=O)c1c(NC(=O)COc2ccc(Br)cc2)sc2c1CCC2 4038612 CBKVYKSXANXZKI-UHFFFAOYSA-N 410.289 3.803 0 50 HHAA Cc1ccn(CC(=O)N2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1 12055493 OYQBBDWFIYYVGK-MRXNPFEDSA-N 422.451 3.868 0 50 HHAA CCN(CC)C[C@@H](O)COc1cc(CNCc2cc(F)ccc2C)ccc1OC 12111740 OPKHHKIIBUOGNU-OAQYLSRUSA-N 404.526 3.514 0 50 HHAA CN(Cc1nc(-c2ccccc2)cs1)C(=O)Cn1cc(NC(=O)c2ccco2)cn1 12244355 YOBVFPRCSOUZML-UHFFFAOYSA-N 421.482 3.511 0 50 HHAA Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cscn3)c2)s1 12304193 NSGFLPOCFWQFMK-INIZCTEOSA-N 413.528 3.603 0 50 HHAA COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3nc(C)c(C)s3)cn(C3CC3)c12 12409785 CCWXBUSBLDEFTM-UHFFFAOYSA-N 405.426 3.949 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2c(CC)noc2C)C1 12440399 YAHGWGRBAYETTE-JOCHJYFZSA-N 402.466 3.713 0 50 HHAA CCOc1cc(CNc2nnn[nH]2)cc(Br)c1OCc1ccc(F)cc1 13945117 PTDKVZXCPZERHP-UHFFFAOYSA-N 422.258 3.691 0 50 HHAA COc1ccc(C[C@@]2(CCC(=O)N[C@H](C)c3ccc(F)cc3)CCC(=O)N2)c(F)c1 14879117 PLQAXCKIBGLURE-IQMFZBJNSA-N 416.468 3.822 0 50 HHAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2snnc2C)C1 14963970 AGIUWZAHVPOTKQ-OAQYLSRUSA-N 401.532 3.655 0 50 HHAA COc1ccc(Br)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19536915 QZYDLBISJBJRKQ-UHFFFAOYSA-N 419.319 3.504 0 50 HHAA Cc1ccccc1C(=O)Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396670 VWUOQZJBMFPVIC-UHFFFAOYSA-N 413.412 3.543 0 50 HHAA CCN(Cc1nccn1C)C(=O)c1cc(-c2cncnc2)nc2ccc(Cl)cc12 63835240 ZXQNFFJKHIAFAR-UHFFFAOYSA-N 406.877 3.741 0 50 HHAA COc1cccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)c1 169769276 HFVIYHCMIWVJIT-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA NC(=O)[C@@H](Sc1nccn1Cc1ccccn1)c1ccc(Br)cc1F 170638495 UBDOORHXCZWELU-HNNXBMFYSA-N 421.295 3.547 0 50 HHAA COC(=O)c1cn(C[C@H](c2cccs2)c2c[nH]c3ccccc23)cc2c(=O)[nH]nc1-2 263587479 HKHJOSHVZYNNNN-HNNXBMFYSA-N 418.478 3.838 0 50 HHAA COc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc6c(c5)OCO6)no4)cc3CO2)cc1 263615830 FKDCNUDKPXNVQY-FQEVSTJZSA-N 418.409 3.609 0 50 HHAA Clc1cccc([C@@H](CNc2cc(N3CCCCC3)ncn2)N2CCOCC2)c1 301258263 OAZIRUXDIAXOQB-LJQANCHMSA-N 401.942 3.606 0 50 HHAA CS(=O)(=O)Cc1ccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)o1 460535102 QVJQDEDVMYSJMN-UHFFFAOYSA-N 401.406 3.652 0 50 HHAA Cn1nccc1C(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857696567 HJZJWGYGKQHVJQ-NRFANRHFSA-N 410.562 3.522 0 50 HHAA COC(C)(C)C(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857698868 ABKLRAJFBYTQBJ-NRFANRHFSA-N 402.579 3.900 0 50 HHAA Cn1c2ccccc2c2cc(S(=O)(=O)N[C@@H](CCc3ccccc3)C(=O)O)ccc21 1875333215 JCDLICIPVBMIMP-FQEVSTJZSA-N 422.506 3.696 0 50 HHAA COc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(C)c(C)s3)n2C)c1 4736337 YJHKVKHMUUBVPS-LBPRGKRZSA-N 403.533 3.683 0 50 HHAA CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 4808670 SQBIVPLCYOMMRP-UHFFFAOYSA-N 410.923 3.744 0 50 HHAA COc1ccccc1CN1C[C@@H](C(=O)NCc2ccc3[nH]c(C)cc3c2)CCC1=O 11767693 VUSIQQQFDRDRRO-IBGZPJMESA-N 405.498 3.540 0 50 HHAA O=C(Cn1cccn1)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 12020271 GSEGBYYWEAEOQX-HNNXBMFYSA-N 401.388 3.689 0 50 HHAA O=C1CCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)CCN1Cc1ccncc1 12149303 QFKQXKHSWAALDT-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(F)c(OC)c3)oc2C)C1 12206885 IJPWWTPFLGHENV-QGZVFWFLSA-N 403.498 3.878 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1 12373192 NYBDCEWUCXHPMD-XMMPIXPASA-N 400.611 3.864 0 50 HHAA O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCC[C@@H](CO)C1 12452943 YPIQCIRBRWDETE-JOCHJYFZSA-N 422.569 3.617 0 50 HHAA Cc1cc(C)c(C(=O)N2CC[C@@]3(CCCN(CCCc4ccccc4)C3)C2)c(=O)[nH]1 12712672 ZBCUHANVBOGLOF-RUZDIDTESA-N 407.558 3.553 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1COc2ccccc2C1 12713396 JEFXCBJXTXZNQS-QFIPXVFZSA-N 410.533 3.790 0 50 HHAA COc1ccccc1NC(=S)N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 13556463 XQLSRZBJEUHDQD-ZDUSSCGKSA-N 412.770 3.840 0 50 HHAA COc1cc(CNCCc2cccc(Cl)c2)ccc1OC[C@H](O)CN1CCCC1 15078101 QMTWSANKOHZGCJ-OAQYLSRUSA-N 418.965 3.516 0 50 HHAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1cnn(C)c1C 17082021 BLRNOCKXSCAWKM-UHFFFAOYSA-N 400.529 3.730 0 50 HHAA COc1ccc(Cc2nc3n(n2)N=C(c2ccc(Br)cc2)CS3)cc1 44519927 FHHKFQLFYSUBRA-UHFFFAOYSA-N 415.316 3.998 0 50 HHAA CN(C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)C1CCCCCC1 82115024 VBBJMQLVDACWLL-JOCHJYFZSA-N 412.622 3.939 0 50 HHAA CC(C)(C)C(=O)Nc1cccc(NC(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 145990579 RXELLSKGGZIYRV-UHFFFAOYSA-N 419.485 3.920 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5cccc(Cl)c5)n4)c3CO2)cc1 169780904 VUXFFKZEKBUSGM-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA O=C1OCCN1c1ccc(S(=O)(=O)NCC2CCC(c3ccccc3)CC2)cc1 170637275 GPBJHRSROSRFBG-UHFFFAOYSA-N 414.527 3.896 0 50 HHAA CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(F)c(Cl)c1 225517252 GGDMLNFVTKPHIU-SFHVURJKSA-N 423.897 3.938 0 50 HHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c(Cl)c1)N1CCCN1[C@H]2c1ccccc1 245226278 NTHHZFZJIPPVCD-OKZBNKHCSA-N 402.281 3.529 0 50 HHAA CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)Nc1ccc(-c2csnn2)cc1 445238610 KYYQQHNARDNZQY-GOSISDBHSA-N 412.515 3.887 0 50 HHAA O=C(c1ccc(CSc2ccccn2)cc1)N1CCCN(C(=O)C2CCC2)CC1 952980380 WYUCTKDUJNSYLN-UHFFFAOYSA-N 409.555 3.849 0 50 HHAA Cc1ccc(-c2ccc(C(=O)N3CC[C@H](c4ccc5c(c4)OCO5)[C@@H](O)C3)cc2)o1 1616106914 YEFBNMMJKNGSAR-UXHICEINSA-N 405.450 3.974 0 50 HHAA Cc1cc(CN2CCN(C)CC2)c(C)c(-c2nccn2-c2ccc3ncn(C)c3c2)c1 1775979638 XSKYKNWKSNYMCT-UHFFFAOYSA-N 414.557 3.790 0 50 HHAA Cc1nc[nH]c1CN1CCC2(CC1)OCCc1cc(OCc3cccnc3)ccc12 1857666711 DLHUQHWKPUYHRQ-UHFFFAOYSA-N 404.514 3.756 0 50 HHAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCc4ccccc4F)CC3=O)sc2c1 1857710688 KKDRQXLIYRJNJH-AWEZNQCLSA-N 413.474 3.503 0 50 HHAA COC(=O)[C@H]1C[C@H]2CN(Cc3c(C)cc(C)cc3C)CC(=O)N2[C@H]1c1ccccc1 1857732609 YCEALKVUEVCAQO-HFMPRLQTSA-N 406.526 3.559 0 50 HHAA COc1cccc(-n2nc(-c3ccncc3)nc2CCc2nc(C(C)(C)C)no2)c1 1875341237 MAASTWRHOGHXTQ-UHFFFAOYSA-N 404.474 3.804 0 50 HHAA Cc1cc2c(cc(C(=O)N3CCSC[C@@H]3CC(=O)O)n2CC(F)(F)F)s1 2325876556 ZJKZDQNUBWNLSA-JTQLQIEISA-N 406.451 3.606 0 50 HHAA CC1(C)[C@H]2CC=C(CN3CCC(Oc4cccc(C(=O)N5CCOCC5)c4)CC3)[C@@H]1C2 20601700 QZXCTIBFRFRCNV-URXFXBBRSA-N 424.585 3.995 0 50 HHAA CCOc1cc(-c2noc(-c3cc(C)nc(OC)c3)n2)cc(Br)c1O 436518742 ZKQLRGMBIMBWRE-UHFFFAOYSA-N 406.236 3.982 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N(C)C[C@H]3CCCCO3)csc2C1 426550357 DYJZXTMSYATBRF-MRXNPFEDSA-N 403.548 3.552 0 50 HHAA O=C(CCC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21)Nc1nncs1 952985636 FYFIZXQOWPIMNS-OAHLLOKOSA-N 400.504 3.600 0 50 HHAA CCOc1ccccc1-c1nnc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)o1 1616063412 PCYGYQUPXUBTSW-CVEARBPZSA-N 412.490 3.503 0 50 HHAA CCOC(=O)[C@@H](Oc1cc(C)cc2oc(=O)c(CC(=O)OC)c(C)c12)c1ccccc1 1050194 ZUFUPTDWEIXYSH-QFIPXVFZSA-N 424.449 3.809 0 50 HHAA COc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCC2)cc1 687285 LJXPTBHAVLDZLD-UHFFFAOYSA-N 422.554 3.776 0 50 HHAA COc1ccccc1CCN1CCC[C@@H](CN(C)Cc2cnc(SC)nc2)C1 11707320 DOYQGCCOHKESRE-SFHVURJKSA-N 400.592 3.594 0 50 HHAA CC(=O)c1ccc(N2CCN([C@@H]3CCC(=O)N(Cc4ccc(F)cc4)CC3)CC2)cc1 12242859 GMRFOSMGSFBLFH-XMMPIXPASA-N 423.532 3.732 0 50 HHAA Cc1cc(OCC(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)ccc1Cl 12404258 VZYGWPJMNBAETL-GOSISDBHSA-N 402.878 3.575 0 50 HHAA COC(=O)[C@H]1CCCCN1C(=O)c1csc2nc(-c3cccc(Cl)c3)cn12 12433835 XASJGLLWTNHYGM-OAHLLOKOSA-N 403.891 3.884 0 50 HHAA CCCOc1c(OC)cccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 18283462 VOTNROPTMJPEHS-LJQANCHMSA-N 411.527 3.916 0 50 HHAA COc1ccccc1CCC(=O)N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169753575 LRYOCJLMQAVZLN-HXUWFJFHSA-N 422.504 3.942 0 50 HHAA CCCCC(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1OC 2818808 XSJJELLAFVQJCJ-PKNBQFBNSA-N 401.488 3.943 0 50 HHAA Cc1noc(C)c1CCC(=O)N[C@@H]1CCCC12CCN(Cc1cnsc1)CC2 1857695552 OKBBVWWMLYHCSX-LJQANCHMSA-N 402.564 3.632 0 50 HHAA NCc1cccc(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)c1 1857703712 XFPDDCDQDFSORM-XMMPIXPASA-N 421.585 3.857 0 50 HHAA CC(C)c1nnc(N2C[C@H](C(=O)NCc3ccc4sccc4c3)CC2=O)s1 1857726479 SWERPOCOFDFAGL-CQSZACIVSA-N 400.529 3.546 0 50 HHAA Cc1nc2c(c(=NCC3=CCCCC3)[nH]1)CC[C@]21CCCN(Cc2cnc(C)n2C)C1 1875249170 JMQOCKMIROYHAS-VWLOTQADSA-N 420.605 3.641 0 50 HHAA CC(C)(C)NS(=O)(=O)c1cccc(-c2nc(Cc3c(F)cccc3F)no2)c1 2325736033 MPVXPMKHBGVZEU-UHFFFAOYSA-N 407.442 3.682 0 50 HHAA C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(C)(C)Oc1cccc(-c2nc(=O)o[nH]2)c1 2325849930 GCWFQEORUJKURW-UZLBHIALSA-N 421.497 3.982 0 50 HHAA Oc1nc2cc(F)ccc2cc1Cn1cc(-c2ccc([C@H](O)C(F)(F)F)cc2)nn1 2325860626 NWWHZPXPXKHKGZ-SFHVURJKSA-N 418.350 3.982 0 50 HHAA CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 986424 HQBDUVZNCGLPAG-UHFFFAOYSA-N 410.561 3.607 0 50 HHAA O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NC1CCCC1 2869524 QWSCQBGDRYMWTI-UHFFFAOYSA-N 408.907 3.578 0 50 HHAA COc1cc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2)c(OC)cc1Cl 4808042 FSPGIFNERXVUQI-GOSISDBHSA-N 417.918 3.789 0 50 HHAA Cc1ccsc1CN(C(=O)c1ccc(OCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 6810241 WGAMLYVPFHOBLQ-SFHVURJKSA-N 421.584 3.921 0 50 HHAA CC[C@@H]1CN(CCC(=O)NCCCOc2cccnc2)Cc2ccc(Cl)cc2O1 11786755 FACYANXFTBYNML-LJQANCHMSA-N 417.937 3.683 0 50 HHAA O=C(CSc1ccccn1)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 11936961 OFUFAUXECDJVNZ-QFIPXVFZSA-N 417.525 3.967 0 50 HHAA O=C(NCc1nnc(SCc2ccncc2)n1-c1ccc(F)cc1)c1ccco1 12163539 NINDPLIZDXIXRR-UHFFFAOYSA-N 409.446 3.617 0 50 HHAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)CCc2cnn(C)c2)C1 12303297 JURCGAKJEWOYTP-XMMPIXPASA-N 411.546 3.548 0 50 HHAA O[C@@H](COc1ccc(Cl)cc1CNCc1cccnc1)CN1CCCCCC1 12306300 PSUDLHHDWKEHFU-OAQYLSRUSA-N 403.954 3.641 0 50 HHAA COCc1cc(C)nc2sc3c(c12)N[C@@H](c1cnn(-c2ccc(F)cc2)c1)NC3=O 12445678 ZHDWXAVSOTXESD-LJQANCHMSA-N 423.473 3.930 0 50 HHAA O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CCC[C@H](CO)C1 12446705 YSSFXRAKDBIDCN-LBPRGKRZSA-N 409.433 3.926 0 50 HHAA CC(C)(C)CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 14540032 QRCRNOZIYSYRPL-UHFFFAOYSA-N 420.557 3.927 0 50 HHAA O=C(C(c1ccccc1)c1ccccc1)N1C[C@@H]2C[C@H]1C(=O)N2c1ccccc1F 14982128 GZOGOQIJKXGNHU-UGKGYDQZSA-N 400.453 3.974 0 50 HHAA O=C1CC[C@H](N2CCN(c3ccc(F)cc3)CC2)CCN1Cc1ccc(F)c(F)c1 14991514 VMWLSQVDCYAHMB-FQEVSTJZSA-N 417.475 3.807 0 50 HHAA Cc1cnc(-n2ncc(C(=O)N(C)Cc3nccs3)c2C)nc1-c1cccs1 14992377 PZGCAOPHUZLJER-UHFFFAOYSA-N 410.528 3.736 0 50 HHAA CC[C@H](NC(=O)c1cc(COc2ccc(C(C)=O)cc2OC)on1)c1ccncc1 15072431 PRPIFFCOXFUUNL-SFHVURJKSA-N 409.442 3.741 0 50 HHAA Cc1cc(C)cc(OCn2ccc(C(=O)N3CCN(Cc4ccccc4F)CC3)n2)c1 20028690 WIOUDCAAPXVVCI-UHFFFAOYSA-N 422.504 3.634 0 50 HHAA CN1CCC(N(C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 20601110 FTZYCIUDJVWTAA-UHFFFAOYSA-N 418.541 3.853 0 50 HHAA O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1 34059866 KIQXRQVVYTYYAZ-VKVYFNERSA-N 410.457 3.816 0 50 HHAA in-man COC(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(CCC(C)C)c1=O 100701476 YXEIGYSPKLZFIZ-UHFFFAOYSA-N 408.454 3.792 0 50 HHAA biogenic C[C@@H]1CN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC[C@@H]1O 170601350 KIMNCKUWRUWSDY-YGRLFVJLSA-N 421.341 3.753 0 50 HHAA CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1 170623934 UKYGSTZNFLVQLG-UHFFFAOYSA-N 418.559 3.728 0 50 HHAA Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@H](C)Cn3ccnc3)[C@@H]2c2cccs2)cc1 229522348 PIIOCFNCGFZODF-PLMTUMEDSA-N 408.527 3.552 0 50 HHAA Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2CN1CCN(c2ccccc2F)CC1 253495493 GLIJGYYBHSKTFS-UHFFFAOYSA-N 419.500 3.661 0 50 HHAA Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@H]3CNCC[C@H]3C)cc12 427586289 CWGFCDROYMSBTK-PXAZEXFGSA-N 402.951 3.836 0 50 HHAA CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 498266204 CPOUNEYEYWKBGT-MRXNPFEDSA-N 400.498 3.707 0 50 HHAA CN1C(=O)c2ccc(NC(=O)c3cc(-c4cccnc4)nc4ccccc34)cc2C1=O 913168098 BNFMQEDYSQKDTL-UHFFFAOYSA-N 408.417 3.775 0 50 HHAA COCCc1noc([C@@H]2CCCCN2C(=O)c2csc(-c3cccs3)n2)n1 952971913 AEDXIRAQARLWDG-ZDUSSCGKSA-N 404.517 3.811 0 50 HHAA COc1c(Cl)cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1Cl 952975925 UPHCOPIETLGGBC-KRWDZBQOSA-N 403.269 3.908 0 50 HHAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3cccc(OCCc4ccccc4)c3)C[C@@H]2CC1=O 1529191018 RYBBBSSYXXPBOD-BHIFYINESA-N 406.526 3.637 0 50 HHAA Cc1cc(C)c(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c(O)n1 1704299162 NZELWAKPOJYOCD-VWLOTQADSA-N 414.509 3.981 0 50 HHAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C3CCN(c4ccccc4F)CC3)C1)CC2 1704315242 YKXOGJAASHOYKM-DEOSSOPVSA-N 409.553 3.631 0 50 HHAA COc1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1Oc1cc(F)cc(CN)c1 1857684158 AYGHNMUOUMZSQM-LJQANCHMSA-N 408.429 3.949 0 50 HHAA O=C(CCCCc1ccccc1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857732080 BEAARHDCUMWMOA-RQTOMXEWSA-N 404.510 3.700 0 50 HHAA CCCC[C@@H]1CN(C(=O)c2sc(-c3ncccn3)nc2CC)C[C@H](C2CC2)O1 1857739219 NGBPZRXRXBFFTL-NVXWUHKLSA-N 400.548 3.972 0 50 HHAA O=C(NCCn1cc(-c2cc(F)c(F)cc2F)nn1)C(F)(F)/C=C/c1ccccc1 2325870799 PMAITIWBHQMLNR-VOTSOKGWSA-N 422.357 3.827 0 50 HHAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3nc(-c4ccc(F)cc4)[nH]c3C)C1)CC2 2356159489 CVRFUIDYBOUDAL-QHCPKHFHSA-N 405.477 3.743 0 50 HHAA CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2)c2cc(Br)ccc21 990108 WACOSHUZKPJECI-HXUWFJFHSA-N 418.287 3.675 0 50 HHAA CCN(CC)c1ccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(C(C)=O)cc3)oc2c1 999718 ZYVVAVLIXILXAC-LCUIJRPUSA-N 419.481 3.990 0 50 HHAA COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 1117281 CIMBKPPLMFGEDA-OVCLIPMQSA-N 414.527 3.912 0 50 HHAA CCn1cc(C(=O)OCc2cccc(Br)c2)c(=O)c2ccc(C)nc21 1141700 HYRUBJVYVQGUEZ-UHFFFAOYSA-N 401.260 3.844 0 50 HHAA COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 2867443 MNLXHXRJAVHPAC-UHFFFAOYSA-N 404.422 3.971 0 50 HHAA O=C(NC1=NCCS1)c1cc(-c2cccnc2)nc2ccc(Br)cc12 2867636 JZYAMNMNQAAWSU-UHFFFAOYSA-N 413.300 3.892 0 50 HHAA CN(C)C(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3130743 GTYBSMXPYGJUEJ-SECBINFHSA-N 404.150 3.594 0 50 HHAA COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C)cc3Cl)n2)cc1OC 4943699 DKVIDCZHEQCTAG-UHFFFAOYSA-N 401.850 3.988 0 50 HHAA CC(C)n1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccco1 7459608 LFUNDVNGUXXZJA-UHFFFAOYSA-N 411.531 3.560 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2ccc(CO)o2)C[C@@H]2CCCO2)CC1 11763078 RGIQHRNOPIOYFM-QHCPKHFHSA-N 412.574 3.974 0 50 HHAA O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCCN(CCCc2ccccc2)C1 11769985 QMSWPEWXAGOUQK-JOCHJYFZSA-N 418.541 3.883 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCC(=O)N(Cc3cccc(C)c3)CC2)cc1 12246451 NLFNUAYWIHJGHM-UHFFFAOYSA-N 404.514 3.628 0 50 HHAA COC(=O)c1cccc(C(=O)N(C)CC2CCN(CCc3ccc(F)cc3)CC2)c1 12315021 SKJWADKFVCGYOS-UHFFFAOYSA-N 412.505 3.639 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 12434950 KGNWLOPCLXOSPX-HXUWFJFHSA-N 407.558 3.710 0 50 HHAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)C2CCCC2)CC1 12469574 WBPJBOZSZXISLT-UHFFFAOYSA-N 411.506 3.889 0 50 HHAA Cc1c(CNC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cnn1C 13124038 FLCAKRDBVIFPKO-IAGOWNOFSA-N 418.423 3.515 0 50 HHAA COc1ccc(CN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)cc1 14531331 MBYBIZYKOYDEGM-UHFFFAOYSA-N 401.551 3.749 0 50 HHAA O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)c1ccc(Br)cc1 15989352 GJROVPFMSIPPGY-UHFFFAOYSA-N 417.284 3.676 0 50 HHAA O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(F)cc1 18020978 OPHRDHLVECRQNK-UHFFFAOYSA-N 403.504 3.874 0 50 HHAA COc1ccc2c(c1)C=C(CN1CCC[C@H](N3CCN(c4ccccc4)CC3)C1)CO2 20780722 ULGWQMOIDSHDAS-DEOSSOPVSA-N 419.569 3.758 0 50 HHAA CCCCn1c(CN(C)C[C@H]2CCCCN2C)cnc1S(=O)(=O)C1CCCCC1 22913213 JXLUEARVJYDLME-LJQANCHMSA-N 424.655 3.706 0 50 HHAA O=C(Cn1ncc2ccccc21)N1CC[C@]2(CCCN(CCc3ccccc3)C2)C1 39359837 HAZPLLJGAVBQNW-VWLOTQADSA-N 402.542 3.594 0 50 HHAA Cc1cccc(-c2ncc(CN3CCN(Cc4ccc(F)cc4)[C@H](CCO)C3)cn2)c1 39479233 VOOOUGWMFASOFD-XMMPIXPASA-N 420.532 3.660 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(SC)cc3)C[C@H]2CCO)cc1C 104459126 IDSPXTPRHQLSJC-OAQYLSRUSA-N 400.588 3.794 0 50 HHAA CCN1c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2C(=O)N2CCCCC[C@@H]21 169780598 MKPJVNNHUJQUOO-JOCHJYFZSA-N 421.497 3.892 0 50 HHAA COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)cn1 460821574 AQOHAWPFXOWYOM-UHFFFAOYSA-N 417.878 3.520 0 50 HHAA O=C(c1cscn1)N1C[C@@H]2CN(Cc3nccs3)C[C@@]2(CCc2ccccc2)C1 1772811743 XZTAEOPABFKRDL-AVRDEDQJSA-N 424.595 3.807 0 50 HHAA Cc1ccc(F)c(/N=c2\scc(-c3cnccn3)n2CCOC[C@H]2CCOC2)c1 1875255772 FEMXBMNJTHFKAJ-HDUHFAKSSA-N 414.506 3.740 0 50 HHAA CC[C@@](O)(CNC(=O)N[C@H]1CCc2c(O)cccc21)c1ccc(Br)cc1 1875261836 KRHYDDANGIBFEZ-FXAWDEMLSA-N 419.319 3.739 0 50 HHAA Cc1ccc(CCC2CCN(C(=O)CNCc3ccnn3CC(F)(F)F)CC2)cc1 1875352091 SUYOXYJGTUJHFL-UHFFFAOYSA-N 422.495 3.715 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N=[S@](C)(=O)c2cccc(Br)c2)cc1 2325889918 BMRCEBNUHCBIQC-RUZDIDTESA-N 421.316 3.895 0 50 HHAA CCCOc1ccccc1C(=O)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356149444 AJQVDXZWJXTBGY-XMMPIXPASA-N 407.514 3.668 0 50 HHAA O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356156215 XFTZRPSPIRTCFF-VAPSRWTKSA-N 406.501 3.910 0 50 HHAA O=C1N([C@H]2CC[C@H](O)CC2)CCC[C@@]12CCCN2Cc1ccc2cccc(F)c2n1 2356165299 BPVBGZXJJWZFNV-SKPFHBQLSA-N 411.521 3.634 0 50 HHAA COc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2C1=O 629832 OJYAQNUNBIDZJR-UHFFFAOYSA-N 415.401 3.536 0 50 HHAA COc1ccc(-c2nnc(SCC(=O)Nc3cccc(SC)c3)n2C)cc1 687373 LADQGNKWPJIDTM-UHFFFAOYSA-N 400.529 3.943 0 50 HHAA COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)c1OC 862458 BLKUVEDPXWZUPU-KRWDZBQOSA-N 417.918 3.789 0 50 HHAA Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)O)c1 912897 ULPMGUWKNSYGEL-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)N1CCCC1 947725 AXICQFSUHZHIDA-UHFFFAOYSA-N 411.552 3.650 0 50 HHAA O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1138331 HSNQIXDBLDMDJI-FNORWQNLSA-N 404.388 3.796 0 50 HHAA O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc2c(c1)OCO2 5064173 JNBPTFQKSAVFIW-UHFFFAOYSA-N 403.891 3.796 0 50 HHAA CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cc[n+]([O-])cc1 12207226 CYJIDHIFZIGARO-XMMPIXPASA-N 413.477 3.988 0 50 HHAA CS(=O)(=O)c1ncc(CN2CCC[C@H]2c2nccs2)n1CC1CCCCC1 12317212 RYZTXGHZXPGRGZ-KRWDZBQOSA-N 408.593 3.661 0 50 HHAA CC(C)C[C@@H](O)C1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1 14958420 MTCMADCJOVYAOE-LJQANCHMSA-N 408.445 3.791 0 50 HHAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C2)c1 15936601 GEQPPDSGGJGCMC-CQSZACIVSA-N 409.408 3.951 0 50 HHAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1ccc(Cl)cc1 39516188 GCEBDVNRVLWMHO-QFIPXVFZSA-N 421.928 3.500 0 50 HHAA C[C@H]1Cc2cc(S(=O)(=O)NCc3nc(-c4cccs4)c[nH]3)cc(Cl)c2O1 170619732 JOPIXHCNGADJNU-JTQLQIEISA-N 409.920 3.594 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)c2C(N)=O)C1 239175770 QPORCUBZEUUYNN-YYFFNPIBSA-N 418.559 3.683 0 50 HHAA COC(=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@]12C 253498927 DLYVTEULDNMQAR-MSWCBIJVSA-N 422.606 3.537 0 50 HHAA in-vitro CC(C)Cn1c(-c2cccc3cccnc23)nnc1N1CCCN(C(=O)C2CC2)CC1 460864860 XHHKSWJOEVGYGG-UHFFFAOYSA-N 418.545 3.598 0 50 HHAA CC(C)c1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCCCO4)CC2=O)cc1 822264201 YZJSRKZRPNCFPW-IBGZPJMESA-N 408.498 3.641 0 50 HHAA O=C(c1ccccn1)N1CCC(C(=O)N2CCCC[C@H]2CCc2ccccc2)CC1 952990508 QRTPPGHHZOAFIP-QFIPXVFZSA-N 405.542 3.948 0 50 HHAA Cc1ccccc1[C@@H](C)C(=O)NC[C@H](C)CNC(=O)CCC(=O)c1cccs1 2325825864 FSINEQBALJHYES-NVXWUHKLSA-N 400.544 3.692 0 50 HHAA COc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2cccc(OC)c2)cc1 754657 VULXDCIQGYPFDC-UHFFFAOYSA-N 416.433 3.604 0 50 HHAA CCCC(=O)N[C@@H](Nc1sc2c(c1C(N)=O)CCCC2)C(Cl)(Cl)Cl 2069451 RKQRZTYCMMVRIP-AWEZNQCLSA-N 412.770 3.750 0 50 HHAA CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)C1=O 9260874 KFAKCPKMNKUKJZ-BJMVGYQFSA-N 420.668 3.622 0 50 HHAA COc1ccc(CN2CCN(CCOc3ccc(Cl)cc3)CC2)c(OC)c1OC 20272272 LQURHVKQVAVTEJ-UHFFFAOYSA-N 420.937 3.562 0 50 HHAA COc1ccc(Cn2nc(C)c(CNc3cccc([C@H]4CNC(=O)C4)c3)c2C)cc1 463738954 KWNNUXOYUWKEFR-HXUWFJFHSA-N 404.514 3.772 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO 22913993 RYBJXWMGSWQGKJ-QHCPKHFHSA-N 420.557 3.544 0 50 HHAA CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)c1 468687467 JXYLOQFMYUSFIB-JXFKEZNVSA-N 406.486 3.844 0 50 HHAA COc1ccc(C(=O)N(CCN2CCCCC2)C[C@@H]2CCCN(C3CCCC3)C2)o1 39510190 SVGRRZDGKVYINZ-HXUWFJFHSA-N 417.594 3.871 0 50 HHAA CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 429270626 XWLBEPKQZFSQCT-SFTDATJTSA-N 411.502 3.609 0 50 HHAA O=C(Nc1ccc(Br)cn1)c1ccn(COc2cccc(Cl)c2)n1 6276493 HNLHIXXVMZHLGB-UHFFFAOYSA-N 407.655 3.983 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)nn2)nc1 72140588 DCTIXJPLKMKIRM-UHFFFAOYSA-N 417.517 3.895 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)c4cc(C)ccc4C)CC3)nn2)nc1 72433965 VNSYOMXZJJTQMZ-UHFFFAOYSA-N 402.502 3.503 0 50 HHAA C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 261340538 RHCPKKNRWFXMAT-YVFKTTGMSA-N 406.563 3.657 0 50 HHAA CN1CCN(Cc2cccc(CNC(=O)N3CCC[C@H]3c3cccc(F)c3)c2)CC1 1338461347 SLNDDUXISILJNU-QHCPKHFHSA-N 410.537 3.620 0 50 HHAA CCCC(=O)N[C@H](Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(Cl)(Cl)Cl 2067470 INWJCRWBMKWZER-MRXNPFEDSA-N 419.740 3.509 0 50 HHAA O=C(NCc1ccncc1)c1ccc(OC2CCN(C3CCSCC3)CC2)cc1 12307802 XUFMPPJWIXRFTQ-UHFFFAOYSA-N 411.571 3.750 0 50 HHAA COc1ccc(-c2cnnc(N3CCC[C@H](C(=O)CCc4ccccc4)C3)n2)cc1 12442293 RFWSAXXHJIIXRF-FQEVSTJZSA-N 402.498 3.966 0 50 HHAA CC(=O)Nc1ccnn1C1CCN(Cc2cc(F)ccc2-n2nc(C)cc2C)CC1 12580534 SIDXTESSSSKCRT-UHFFFAOYSA-N 410.497 3.620 0 50 HHAA CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1cccnc1)CC2 14750298 BETFJAGJAYTSBT-UHFFFAOYSA-N 414.509 3.664 0 50 HHAA COc1ccc(-c2noc(CC3CCN(C(=O)Cc4ccccc4OC)CC3)n2)cc1 169754742 RSMMLLIFDHZJRC-UHFFFAOYSA-N 421.497 3.778 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4noc(-c5ccc(OC)cc5C)n4)c3CO2)cc1 169770869 XSISJSWHDOYQPX-LJQANCHMSA-N 419.441 3.592 0 50 HHAA Clc1ccc([C@H]2CN3C[C@H](NC4CCC5(CCNCC5)CC4)C[C@H]3CO2)cc1 1857724378 AGPSARMWSUBOTF-BHIFYINESA-N 403.998 3.756 0 50 HHAA COC(=O)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(O)=N3)c(F)c1 328591341 KKSHEDYSMFHWAG-UHFFFAOYSA-N 400.387 3.516 0 50 HHAA CNc1cc(-n2nc(C)cc2NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)ncn1 253429166 SHPCKSJQPOLDNU-LLVKDONJSA-N 421.288 3.725 0 50 HHAA C[C@H](c1nc2ccccc2o1)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1875257790 OYPLASFLGVZSQX-MSOLQXFVSA-N 414.550 3.906 0 50 HHAA CCn1nc(C2CCCC2)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2100482340 RVLNQGPOMLDJNH-RTWAWAEBSA-N 410.518 3.768 0 50 HHAA COc1cc([C@@H]2Cc3c(C(=O)O)c(=O)cc(C)n3-c3ccccc3S2)ccc1O 755553 FWCNOZKILZANNI-FQEVSTJZSA-N 409.463 3.948 0 50 HHAA CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 827313 XFVDYLCWESXSHE-CYBMUJFWSA-N 402.292 3.507 0 50 HHAA CN(C)[C@@H]1CCN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)C1 11753657 GCUWPQFDUKLSGJ-CQSZACIVSA-N 408.449 3.858 0 50 HHAA O=C(Cc1ccc(Cl)cc1)NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 11791347 RRVWRRANJGHBQX-NRFANRHFSA-N 413.949 3.608 0 50 HHAA CCn1ccnc1CNC(=O)c1cc(COc2ccc(OC)c3ccccc23)on1 11936798 PAGPPBJTAYUUGB-UHFFFAOYSA-N 406.442 3.562 0 50 HHAA CC(=O)c1cc(C(=O)NC[C@@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)cs1 11974345 KXDZRRACDJXCJX-INIZCTEOSA-N 413.886 3.795 0 50 HHAA Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)C2)cc1C 12317981 FPFYCEUQKHOWFE-NRFANRHFSA-N 406.530 3.858 0 50 HHAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N(C)Cc1ccsc1)C2 14747001 WULAIGRNLHBHJN-GOSISDBHSA-N 400.592 3.826 0 50 HHAA O=C1c2cccc(N3CCN(Cc4ccco4)CC3)c2C(=O)N1Cc1ccccc1F 15069409 PNXOSOHNYJDVME-UHFFFAOYSA-N 419.456 3.537 0 50 HHAA CCn1nc(C)c(CN2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1C 20449930 IHINCUYZCFOQIB-OAQYLSRUSA-N 414.594 3.676 0 50 HHAA COc1ccc(N[C@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1OC 55325164 HFHVUMHYWXULLZ-KRWDZBQOSA-N 402.564 3.837 0 50 HHAA Brc1ccc(CN[C@H]2CCOc3ccccc32)c(N2CCOCC2)c1 170591552 PBWOJQVNKGIXFE-SFHVURJKSA-N 403.320 3.899 0 50 HHAA Cc1ccc(C(=O)COc2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)c2)cc1 239403116 RNDYWWHMPXGAFG-PYSZQBSGSA-N 413.473 3.814 0 50 HHAA COc1ccc(-c2nc3nccc(-c4ccc5c(c4)OCCCO5)n3n2)c(OC)c1 253409240 LOVUVLAXHGBTTL-UHFFFAOYSA-N 404.426 3.637 0 50 HHAA COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 253416446 XGFXWCYWLRIZPC-MRXNPFEDSA-N 424.476 3.734 0 50 HHAA CCOC[C@H]1CCCN1C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426387139 SXNLXWZOFFNMEB-MRXNPFEDSA-N 403.548 3.552 0 50 HHAA COc1cccc(N2CC[C@@H](NC(=O)c3cc4c(C(F)F)nn(C)c4s3)C2)c1 470897817 PMRITAVHFHKXDR-LLVKDONJSA-N 406.458 3.590 0 50 HHAA c1ccc(CCCN2C[C@@H]3CC[C@H](C2)CN3Cc2nnc(-c3cccnc3)o2)cc1 1073308412 MZTZIQPXKMTJTI-IRLDBZIGSA-N 403.530 3.661 0 50 HHAA O=C(CCSc1ccc2c(c1)OCCO2)N1CCC[C@H](OCc2ccccn2)C1 1506407518 PEDJLUIWTYGVDT-SFHVURJKSA-N 414.527 3.543 0 50 HHAA COC(=O)Cc1csc(NC(=O)NCc2sc(-c3ccccc3)nc2C)n1 1875253674 NVOGQSACAIUETA-UHFFFAOYSA-N 402.501 3.612 0 50 HHAA COc1ccc(C)cc1C(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 1875264968 OIDGPZFLHPTSCZ-JOCHJYFZSA-N 409.507 3.927 0 50 HHAA Cc1oc(C(=O)O)cc1CNC(=O)CCCCCCn1cc(-c2ccsc2)nn1 1875354060 POFTYERJZABYLS-UHFFFAOYSA-N 416.503 3.873 0 50 HHAA O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1Cc1ccccn1 2325750259 ROBONMABLFRKPJ-HXUWFJFHSA-N 414.509 3.843 0 50 HHAA CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)ccc1O 845728 URAZWSUNFCBGDP-SFHVURJKSA-N 417.918 3.876 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)c1cc2cc(Br)ccc2oc1=O 860639 WRBIBYFILLCMJP-UHFFFAOYSA-N 402.200 3.579 0 50 HHAA O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)NCc1ccco1 877978 DGYCZZNUAKDANH-UHFFFAOYSA-N 404.495 3.995 0 50 HHAA Cc1cc(=O)oc2cc(OC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)ccc12 1227662 PLNCKJSPRXFUPA-NRFANRHFSA-N 409.438 3.958 0 50 HHAA biogenic COc1ccc([C@H](CC(=O)O)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC 3626814 DJWYQGXRSVXQRK-INIZCTEOSA-N 421.877 3.685 0 50 HHAA CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)c1 5398927 CTUDOHAZZBDTDX-UHFFFAOYSA-N 412.449 3.661 0 50 HHAA COc1ccc(OC)c(-c2nc(CN3CCC(O)(c4ccccn4)CC3)c(C)o2)c1 11667811 VMAKPEWVRTXWMN-UHFFFAOYSA-N 409.486 3.546 0 50 HHAA Cc1ccc(S(=O)(=O)NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1 11907519 QQOXWGXXCPBXIK-UHFFFAOYSA-N 400.525 3.757 0 50 HHAA COc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(C)cc2)cc1OC 11910648 NPTITZPRBJYUQQ-UHFFFAOYSA-N 412.511 3.798 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C[C@H]2COCCO2)c(F)c1 12092490 GXGCRHVTYQJWIX-FQEVSTJZSA-N 411.477 3.534 0 50 HHAA CCCN(Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC)CC1CC1 12446029 XVFMYHFXQJESAN-UHFFFAOYSA-N 411.612 3.506 0 50 HHAA Cn1nccc1C(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 14961693 MANQMLNFBVWVBQ-AWEZNQCLSA-N 401.388 3.839 0 50 HHAA CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2ccc(F)cc2)cc1 14963468 ZNKLOUSJVHPISO-DEOSSOPVSA-N 408.517 3.987 0 50 HHAA CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1 16687896 BKRHNEVJVPBIBN-MOSHPQCFSA-N 416.458 3.894 0 50 HHAA CCc1oc(C(N)=O)cc1Cn1ccc(-c2cccc(-c3nc(C)cnc3C)c2)n1 23130331 LCAPSMSCWNQMQW-UHFFFAOYSA-N 401.470 3.927 0 50 HHAA O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc(-c2cccs2)on1 32623069 GVCNXRFXERGXMT-QGZVFWFLSA-N 417.918 3.860 0 50 HHAA O=C(Nc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1 101957705 BIYLHHDLKROELJ-JTPOADGKSA-N 400.906 3.868 0 50 HHAA COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Cc3ccc(OC)c(OC)c3)n2)cc1 169754611 RZTKZCQLYWMHDQ-SFHVURJKSA-N 423.469 3.669 0 50 HHAA Cc1cc(C)cc(C(=O)N2CC[C@@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)c1 169778070 ADLBXHKMTUOTIE-LJQANCHMSA-N 414.469 3.699 0 50 HHAA Cc1noc([C@H]2COCCN2Cc2cc(Br)cc(C(F)(F)F)c2)n1 170596323 YDCAJXNYISZFHU-CYBMUJFWSA-N 406.202 3.733 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4cc(C)no4)csc3C2)nc1 426530788 JHRRGMFMXXHHPX-UHFFFAOYSA-N 410.543 3.832 0 50 HHAA CCCCCOc1ccc(C(=O)CCC(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)cc1 485462469 HWKHTAOSKWLEEK-LJQANCHMSA-N 401.503 3.932 0 50 HHAA Cc1csc(Nc2ccc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)cc2)n1 485558382 XOTFYFILNDARBA-UHFFFAOYSA-N 416.528 3.712 0 50 HHAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)c3ccccc3N3CCOCC3)c2)n1 825290511 RWEVCGRLRCEGLZ-UHFFFAOYSA-N 404.514 3.598 0 50 HHAA O=C(c1ccc2nc[nH]c2n1)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952894996 WKBNCGFRPZMAQR-UHFFFAOYSA-N 402.433 3.574 0 50 HHAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2ccc3c(=O)n(C)cnc3c2)c1 952973861 AXUGJVLBANBCFT-UHFFFAOYSA-N 404.470 3.623 0 50 HHAA O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1cc(CCc2ccccc2)ccc1O 1301232374 GLVLFFUSIHAWOU-JOCHJYFZSA-N 406.526 3.841 0 50 HHAA FC(F)(F)c1nnc(N2CCN(Cc3cc(C4CCCCC4)no3)CC2)s1 1506414457 ZMRNUHRDABVWHL-UHFFFAOYSA-N 401.458 3.915 0 50 HHAA CCn1cc(/N=c2/scc(-c3cccc(F)c3)n2CCOC[C@@H]2CCOC2)cn1 1875257165 MKJDYBMDUDONBZ-VWGHSQMFSA-N 416.522 3.858 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@H](c2cccc(OC)c2)c2ccccc2Cl)CC1 1875369252 CZVHWDVCIXLRMI-JOCHJYFZSA-N 412.917 3.979 0 50 HHAA O=C(CN1CCN(CC2CC2)c2ccccc21)NCCc1ccc(OC(F)F)cc1 2325738244 PFXRDDHAIPXAFI-UHFFFAOYSA-N 415.484 3.683 0 50 HHAA O=C(O)[C@H](NC(=O)[C@H]1[C@H]2c3cc(Br)ccc3C[C@H]21)c1ccc(F)c(F)c1 2325877396 QEVFGTLPKRJJAP-VJUNAUMWSA-N 422.225 3.555 0 50 HHAA Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 1118470 SHLOPLPWONDVME-UHFFFAOYSA-N 404.507 3.790 0 50 HHAA COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c1OC 1189584 LNFPUGRRLGYVNP-KRWDZBQOSA-N 417.918 3.789 0 50 HHAA CCCOC[C@@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 4370621 SYFVSULCXIZWHH-JHVJFLLYSA-N 416.499 3.777 0 50 HHAA biogenic O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@@](CO)(CCc2ccccc2)C1 12073167 YAVRKJAAPSAXDB-RUZDIDTESA-N 406.526 3.661 0 50 HHAA Cc1ccccc1Cc1c(C(=O)N2CCCC2)c(=O)cc(C)n1Cc1ccccn1 12150129 LFXDSTJWANIFCO-UHFFFAOYSA-N 401.510 3.735 0 50 HHAA CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCCC2=CCCCC2)c1=O 14999594 SAQYVALVXSNADN-UHFFFAOYSA-N 421.541 3.655 0 50 HHAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCNC(=O)[C@@H]1c1cccc(F)c1 39516249 FWFBOGDUVSPKKL-IBGZPJMESA-N 401.388 3.740 0 50 HHAA Cc1nn2c(nnc3c(=O)n(Cc4ccccn4)ccc32)c1-c1ccc(Cl)cc1 40396052 GGRHZOHYCFZXIL-UHFFFAOYSA-N 402.845 3.511 0 50 HHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)N1CCN(c2ccccc2Cl)CC1 101935251 RZZMIAUVCBPSGP-XWYPRVOQSA-N 402.922 3.682 0 50 HHAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc2cc[nH]c12 170597363 CYYIKKZACGLHOE-HNNXBMFYSA-N 401.388 3.718 0 50 HHAA O=C(C[C@H](c1cccs1)n1cccc1)NCc1ccccc1CN1CCC[C@@H]1CO 170610649 QZBGWHXOWHIDJF-FGZHOGPDSA-N 423.582 3.802 0 50 HHAA COC(=O)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccc(Cl)c(Cl)c1 239254600 YLZTWNDSCCJXGQ-JMSVASOKSA-N 402.274 3.605 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C(=O)NC2CC2)C1 239377562 OCFLZJXDSMDXAV-BPLDGKMQSA-N 418.559 3.985 0 50 HHAA Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263618852 VUSWOZNVNZMVFH-INIZCTEOSA-N 407.493 3.911 0 50 HHAA O=C(c1c[nH]nc1-c1cc2ccccc2o1)N1CCC(c2nnc3ccccn23)CC1 435829656 YLABJHNXFARWNA-UHFFFAOYSA-N 412.453 3.885 0 50 HHAA Cc1ccc(-c2cccc(CNC(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)c2)cc1 468229420 KNDJNZAXFDYBCI-VWLOTQADSA-N 413.477 3.647 0 50 HHAA O=C(O)CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl 484843640 CVRPMLGOFWCEIY-ZDUSSCGKSA-N 402.299 3.748 0 50 HHAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC(C(=O)NCc4ccccn4)CC3)[nH]c12 827758175 PXJWHXFTUXPIGW-UHFFFAOYSA-N 404.514 3.657 0 50 HHAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(N2CCCC2)c(Cl)c1 828152553 ZTJXODJXQJUUII-INIZCTEOSA-N 401.894 3.568 0 50 HHAA COc1cc2c(cc1CN1CCC[C@@H](c3nc(CC(C)C)no3)C1)OCCCO2 952966227 URAXBZYAJPBXKZ-MRXNPFEDSA-N 401.507 3.818 0 50 HHAA C[C@@](Nc1ccccc1)(C(=O)N1CCC(O)(c2ccccn2)CC1)c1ccccc1 952982046 FFQVUEAAHURUJL-DEOSSOPVSA-N 401.510 3.919 0 50 HHAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCOc2c1cccc2C(F)(F)F 1461292550 IABOTOKXFHXMPQ-IBGZPJMESA-N 418.415 3.967 0 50 HHAA COc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)nc2ccccc12 1857675379 VRXRVTHBSVXGRP-UODBTFMRSA-N 402.494 3.842 0 50 HHAA Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1nnc2ccc(Cl)cn12 2325842472 ZSPXHMKYTDTQBT-UHFFFAOYSA-N 415.700 3.563 0 50 HHAA Cc1c(NC(=O)c2cccc3c2-c2ccccc2C3=O)c(=O)n(-c2ccccc2)n1C 988096 MDZWKDQDSPYKGR-UHFFFAOYSA-N 409.445 3.948 0 50 HHAA CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)c(F)c1 4543945 MUKDMSNOJHDYIY-UHFFFAOYSA-N 405.267 3.753 0 50 HHAA CCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1 5499815 QUJXCVRPCJOJGF-UHFFFAOYSA-N 407.289 3.753 0 50 HHAA O=C(CCC1CCN(C2CCSCC2)CC1)N1CCN(c2ccccc2)CC1 12429292 RIHUPHLYVBSEBG-UHFFFAOYSA-N 401.620 3.723 0 50 HHAA O=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)c3ccoc3)CC2)cc1 12714069 FJSIFZQZSAZJPQ-UHFFFAOYSA-N 418.493 3.936 0 50 HHAA Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)CC(F)(F)F)c2)s1 14954075 PGXDDPBAOUAQPL-AWEZNQCLSA-N 412.437 3.786 0 50 HHAA CSc1nnc(CNC(=O)c2ccccc2C(F)(F)F)n1Cc1ccccc1 14968546 IDDGXCNKIVTLLX-UHFFFAOYSA-N 406.433 3.997 0 50 HHAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 15071186 HDWVKLPPMOXAQR-QFIPXVFZSA-N 424.504 3.992 0 50 HHAA COc1cccc(CN2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)c1OC 19222081 VINNPEONMNZKDA-JOCHJYFZSA-N 409.574 3.799 0 50 HHAA COCCNC(=O)c1cccc(OC2CCN([C@@H](C)Cc3ccc(C)cc3)CC2)c1 20168203 DFSQYLVOLGGJLQ-FQEVSTJZSA-N 410.558 3.846 0 50 HHAA Cc1cccc(-c2ncc(CN3CCN(CC4CCCCC4)[C@H](CCO)C3)cn2)c1 39532082 QXTPQLJPPBBABF-XMMPIXPASA-N 408.590 3.901 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4cccc5[nH]ccc45)C3)[nH]n2)cc1 169753946 KLGFBXXOAKIXCH-KRWDZBQOSA-N 415.497 3.965 0 50 HHAA CCc1c(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)cnn1-c1ccc(F)cc1 225763835 FETSRUWEPAVWMH-SFHVURJKSA-N 421.476 3.610 0 50 HHAA Cc1c(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cnn1-c1cc(F)ccc1Cl 230206493 BSRKOWKXVWEBEG-KXBFYZLASA-N 404.917 3.968 0 50 HHAA biogenic Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@H]1CCCO1 239038379 DBGUSAKKPSGSBX-MFEFFIJZSA-N 417.509 3.705 0 50 HHAA O=C(c1ccccn1)N1CCC(NC[C@@H](c2ccccc2)N2CCCCCC2)CC1 828184229 RHVOEPRTTABOTF-DEOSSOPVSA-N 406.574 3.893 0 50 HHAA O=C(CCCc1nc(-c2ccccc2Cl)no1)N1CCC[C@@]2(CCC[C@H]2O)C1 1704358755 RYYJFGHHNOTBAG-UTKZUKDTSA-N 403.910 3.866 0 50 HHAA Cn1nccc1C(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857696568 HJZJWGYGKQHVJQ-OAQYLSRUSA-N 410.562 3.522 0 50 HHAA O=C(NC1CC1)c1cccc(CNCc2cc3c(c(-c4ccncc4)c2)OCO3)c1 1875267183 MFFAGXKAZBHUCU-UHFFFAOYSA-N 401.466 3.659 0 50 HHAA O=C(Nc1cnc2c(F)cccc2c1)C(=O)N[C@H](Cc1cccnc1)C1CCCC1 1875300254 UIVHXWNFYFSCII-HXUWFJFHSA-N 406.461 3.625 0 50 HHAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)n1 652124 ISRWWUNLTRKPCC-UHFFFAOYSA-N 416.890 3.800 0 50 HHAA COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C(C)=O)c3ccccc32)cc1 1232700 LYUAKDPPOCCQEU-PGAZUGQPSA-N 423.468 3.835 0 50 HHAA biogenic O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCCOc1ccccc1 2186610 APSVAYUDUWEQSH-UHFFFAOYSA-N 420.494 3.815 0 50 HHAA COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)cc1 5064628 USNPQYRAVHFJEO-QGZVFWFLSA-N 415.902 3.558 0 50 HHAA O=C(NC[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1)c1n[nH]c2ccccc12 11936223 YHEORAJPLVHXGC-OAHLLOKOSA-N 409.559 3.540 0 50 HHAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CCc4c(C)nn(C)c4C)C3)C2)c1 11948165 IKLPMBQMSIWNOA-VWLOTQADSA-N 408.590 3.793 0 50 HHAA COC(=O)[C@@H]1CCCCN1C(=O)c1csc2nc(-c3cccc(Cl)c3)cn12 12433834 XASJGLLWTNHYGM-HNNXBMFYSA-N 403.891 3.884 0 50 HHAA CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NCCc1ccccc1)CC2 14749352 QINFNDGIWANDKC-NRFANRHFSA-N 408.590 3.855 0 50 HHAA Cc1ccc(OCc2cc(C(=O)NCCN3CCC[C@@H](c4ccccc4)C3)no2)cn1 15069330 CKZVSHYEGODUDV-HXUWFJFHSA-N 420.513 3.566 0 50 HHAA O=C(O)c1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1Cl 16192747 KPUZADSCFGLABI-UHFFFAOYSA-N 413.680 3.928 0 50 HHAA CN(Cc1nc(-c2ccc(Cl)cc2)no1)CC1(N2CCOCC2)CCCCC1 20323762 XMVIQKDWRGOQKN-UHFFFAOYSA-N 404.942 3.857 0 50 HHAA Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H](C(=O)c4cccnc4)C3)o2)s1 20777194 AYSLPQFKKWIGPC-INIZCTEOSA-N 410.499 3.556 0 50 HHAA Cc1ccccc1N1CCN([C@H]2CCCN(Cc3c(C)nc4sccn34)C2)CC1 22913822 INBJZXFSTMIDRY-FQEVSTJZSA-N 409.603 3.799 0 50 HHAA Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)c(C)c1-c1cccc(O)c1 23478604 YCJXTGAKLNWVMB-UHFFFAOYSA-N 401.470 3.756 0 50 HHAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 67621742 WZESLLQVAMQTFN-UHFFFAOYSA-N 417.916 3.530 0 50 HHAA COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 137839983 VGAJYRKEVKPHAO-BHDDXSALSA-N 400.434 3.746 0 50 HHAA COc1cccc(C(=O)COc2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)c1 169694803 GTGBHQGKSNTZNE-RVHYNSKXSA-N 407.466 3.883 0 50 HHAA COc1cccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(C)c(C)c5)no4)c3CO2)c1 169758485 WZXZSWXAUROAAE-IBGZPJMESA-N 403.442 3.892 0 50 HHAA O=C1[C@H](NCc2ccc(N3CCCC3)nc2)CCN1c1ccccc1C(F)(F)F 170597912 SSEARHHEKROFID-QGZVFWFLSA-N 404.436 3.596 0 50 HHAA O=C(CSCC(=O)N1CCC(Oc2ccc(Cl)nc2)CC1)c1ccccc1 170606212 XVZRNYQTFCCIMU-UHFFFAOYSA-N 404.919 3.721 0 50 HHAA CCOCCC1(C(=O)NC[C@]2(C)CCN(C(=O)C3(CCOCC)CCC3)C2)CCC1 225669667 UUWFRUPIEIYRIU-QFIPXVFZSA-N 422.610 3.535 0 50 HHAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@H](c1ccc(Cl)cc1)n1cccc1 253401034 FIDRDMQSNRMNQY-YADHBBJMSA-N 421.928 3.821 0 50 HHAA CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)c3coc(CC4CC4)n3)sc2C1 253427070 DJBKGNHTCBCOBU-LBPRGKRZSA-N 418.519 3.718 0 50 HHAA O=C(NCC1(c2ccccc2Br)CCC1)Nc1ccn(CC(F)F)n1 433003809 BISBUTDPOZFUHV-UHFFFAOYSA-N 413.266 4.154 0 50 HHAA CNC(=O)c1cc2cc(NC(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)ccc2[nH]1 471376024 LBXGPGFULCUZMN-LJQANCHMSA-N 420.469 3.668 0 50 HHAA CN(C)Cc1ccc([C@@H]2CCCCN2Cc2ccc(OCC(N)=O)c(Cl)c2)cc1 952867903 VNSUQCGFMVJNGK-NRFANRHFSA-N 415.965 3.993 0 50 HHAA Cc1ccc2cc(CN3CCO[C@@H](c4ccccc4)C3)c(N3CCOCC3)nc2c1 952965973 DNWOBQRAXBXCEL-XMMPIXPASA-N 403.526 3.953 0 50 HHAA Cc1cc(CN2CCC(C)CC2)c(C)c(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)c1 1704329736 CCDWRXKZIPNTOZ-FTJBHMTQSA-N 407.602 3.966 0 50 HHAA C[C@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccc(Oc2cccnc2)cc1 1875258827 BGEJRDFJKGBRJB-PKOBYXMFSA-N 403.486 3.758 0 50 HHAA CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc(Br)n2ccccc12 1875343725 SHGOWWPQMOGPRO-XMMPIXPASA-N 405.317 3.711 0 50 HHAA CC(C)C[C@H]1CCC=CCC2(CCCC2)C(=O)NC[C@](C)(Cn2cccn2)NC1=O 1875369649 AEBNVQGLBOBHTE-NFBKMPQASA-N 414.594 3.837 0 50 HHAA C[C@H](NS(=O)(=O)c1cnc2ccc(F)cc2c1)c1ccc(NC(=O)C2CC2)cc1 2325725413 MSELZXFKSDIEGT-ZDUSSCGKSA-N 413.474 3.762 0 50 HHAA COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(C)s1 781133 LVODIIPTENRFBI-UHFFFAOYSA-N 413.495 3.778 0 50 HHAA COc1cccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)c1 1149303 BZASSHPHPNIAIB-RUZDIDTESA-N 401.462 3.745 0 50 HHAA CCCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 2492556 PYEYDJHUHJDFDQ-HNNXBMFYSA-N 415.486 3.836 0 50 HHAA CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)nc1-c1ccccc1 2760361 BSPMLFLFBDUHPG-UONOGXRCSA-N 400.456 3.592 0 50 HHAA N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3ccccc3Br)cc2)S1 5092737 AIDYHXQONHBBPN-ZROIWOOFSA-N 403.257 3.807 0 50 HHAA CSc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)cc1 11932801 ZVLYLIWEUIGHQV-SFHVURJKSA-N 400.519 3.645 0 50 HHAA Cn1cnnc1Sc1ccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)o1 12299335 IYKQQVYKRGEGBZ-NRFANRHFSA-N 416.522 3.516 0 50 HHAA CN1CC[C@H](N(C)C(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)C1 12434204 PJYXNHSNWJTANF-AWEZNQCLSA-N 408.449 3.858 0 50 HHAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccccn2)CC1 12448072 SKNIEGSJYHXKJK-UHFFFAOYSA-N 406.490 3.768 0 50 HHAA CCCn1cc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCCN24)c(C)n1 12576206 IJQVMOVPBUIEEH-APTRMMRNSA-N 408.546 3.548 0 50 HHAA COc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1OC[C@@H](O)CN(C)C(C)C 12708600 DZGLPGMESOPWQV-UYXFXHDXSA-N 416.606 3.689 0 50 HHAA O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CCN(Cc1cccnc1)CC2 14882146 LNOGCZWNUYEYNL-HSZRJFAPSA-N 419.569 3.548 0 50 HHAA COc1cc2c(cc1CNCc1cccnc1N1CCc3ccccc3C1)OCO2 15080728 YPDLDUPLSZQZPL-UHFFFAOYSA-N 403.482 3.671 0 50 HHAA Cc1ncc(CN2CCC(Oc3cccc(C(=O)NCc4cccnc4)c3)CC2)s1 20233709 NMVLKPGOEVWVNA-UHFFFAOYSA-N 422.554 3.820 0 50 HHAA CNC(=O)[C@@H]1C[C@H](NCc2ccccc2C(F)(F)F)CN1C/C=C/c1ccccc1 20775914 GWRHORYMWRFTSB-VPAMFCPISA-N 417.475 3.697 0 50 HHAA COc1cc(-c2cc(C)c3cccc(OC)c3n2)cc2c1OCCN(CCCO)C2 67446801 GNTFIIPHPAWTPF-UHFFFAOYSA-N 408.498 3.804 0 50 HHAA COc1ccc(OC)c(-c2nc3cc(Cl)ccc3cc2CN2CCNC(=O)C2)c1 72424191 MAUGJFZSHCIOJZ-UHFFFAOYSA-N 411.889 3.504 0 50 HHAA O=C(CC[C@H]1CCCN(Cc2cncn2C2CC2)C1)NCc1ccc(F)c(F)c1 95501133 GOZTYOLDBPZTKM-MRXNPFEDSA-N 402.489 3.805 0 50 HHAA COc1cc(OC)cc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)no2)c1 169769412 KACDLRNJPZIAAF-LJQANCHMSA-N 419.441 3.592 0 50 HHAA CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 239175764 QPNGJIVJKYBPSE-CQAGSAPUSA-N 417.505 3.901 0 50 HHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1Cl)N1CCCN1[C@H]2c1ccccc1 239305986 GGVKINYXELUFTI-OKZBNKHCSA-N 402.281 3.529 0 50 HHAA CC(C)[C@@]12CC[C@@](C)(O1)[C@H](Oc1cccc(Cl)c1CNC(=O)[C@H]1C[C@@H]1C(=O)O)C2 252428339 YVYOHLNJGLJXES-GGPATYEESA-N 421.921 3.792 0 50 HHAA COc1ccc(OC)c(C2=NN(S(C)(=O)=O)[C@@H](c3c(F)cccc3Cl)C2)c1 253431701 HXCASSSAQAJJBL-MRXNPFEDSA-N 412.870 3.607 0 50 HHAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263618770 VKWNDAHDJAJLRU-MRXNPFEDSA-N 422.338 3.840 0 50 HHAA CN1C(=O)COc2ccc(NC(=O)N3CCC[C@]4(CCCc5ccccc54)C3)cc21 440291153 NEVJUNDHJKJYAK-XMMPIXPASA-N 405.498 3.944 0 50 HHAA O=C(NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1onc2c1CCCC2 1296611402 RUEFTMFGYQCFKD-UHFFFAOYSA-N 421.419 3.607 0 50 HHAA Cc1cc(NCC[C@H]2CCC(=O)N2CCN(C)C)c2ccc(C(F)(F)F)cc2n1 1704312246 HFBBMZUWMOPNHI-MRXNPFEDSA-N 408.468 3.917 0 50 HHAA CCn1cc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)O[C@H](c3ccccc3)C2)cn1 1857720885 PIQBKVNOHJVDDA-FCHUYYIVSA-N 405.454 3.587 0 50 HHAA C[C@H](CCc1ccccn1)NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 1875354550 ILMIVTBCMYPJIY-QGZVFWFLSA-N 422.554 3.785 0 50 HHAA COC[C@]1(C(=O)Nc2ncnc3c2c(C)c(C)n3-c2ccc(Cl)cc2)CCCO1 2325880015 PZTZSBHHUBSXPL-NRFANRHFSA-N 414.893 3.825 0 50 HHAA O=C(NCc1ccc(C(F)(F)F)cc1)c1cc2c(s1)C1(CCNCC1)OCC2 2356167364 XQNHYRPCGFCHSH-UHFFFAOYSA-N 410.461 3.848 0 50 HHAA Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 675072 RDVQPDUOSBKTHO-UHFFFAOYSA-N 416.543 3.886 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cc(C)cc(C)c2)cc1 877037 XXCZSBDZLYSOKW-UHFFFAOYSA-N 409.511 3.841 0 50 HHAA CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 943704 GIXGONJROUOYFM-UHFFFAOYSA-N 424.522 3.677 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1OC 1070864 MYOALTNXJMRBDL-UHFFFAOYSA-N 413.268 3.732 0 50 HHAA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OCC)cc1 3627066 OWSGKLQDGCLVRA-GOSISDBHSA-N 411.907 3.712 0 50 HHAA COC(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 11767776 DFRTXPMCBDSTLR-UHFFFAOYSA-N 419.481 3.653 0 50 HHAA CC(=O)Nc1ccc(CN2CCC3(CC2)C[C@H]3C(=O)N2CCc3ccccc3C2)cc1 11882077 AKSDHXJYCWDFRP-DEOSSOPVSA-N 417.553 3.832 0 50 HHAA COc1ccc(CN2CCN(Cc3cccn3-c3ccc(Cl)cn3)CCC2=O)cc1 12281575 CMODKGPUBIXVSV-UHFFFAOYSA-N 424.932 3.769 0 50 HHAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)c1c(C)cc(C)[nH]c1=O 12303853 FDULJJHZEXOVDD-UHFFFAOYSA-N 409.574 3.717 0 50 HHAA O=S(=O)(c1ccc(F)cc1)c1nc(-c2cccc(Cl)c2)oc1N1CCOCC1 12428747 BJHKLXIQLSHNNP-UHFFFAOYSA-N 422.865 3.804 0 50 HHAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(CCCC(F)(F)F)CC2)c1 12579555 KWIZBBRJEKJWLF-UHFFFAOYSA-N 400.441 3.773 0 50 HHAA COC(=O)c1ccc(C(=O)N2CC[C@@]3(CCCN(Cc4cccc(OC)c4)C3)C2)cc1 12709798 NBUSYOCFCCUMJP-RUZDIDTESA-N 422.525 3.610 0 50 HHAA O=C1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCN1 12716703 ANGFWFHWHAFYAU-UHFFFAOYSA-N 400.482 3.667 0 50 HHAA CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCCN(CCc2ccccc2)C1 12751130 HIDSCOUMHCWCJC-DEOSSOPVSA-N 402.542 3.711 0 50 HHAA Nc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]c(=O)c1-c1ccccc1 13545111 FTXNCCDGVINDJM-UHFFFAOYSA-N 420.416 3.769 0 50 HHAA CCOC(=O)c1nn(CCC(C)C)c2c1CN(Cc1cccn1-c1cccnc1)CC2 14743237 XJYRQFCNQHDJRI-UHFFFAOYSA-N 421.545 3.850 0 50 HHAA COc1ccc(C[C@]2(CCC(=O)N(C)[C@H](C)c3cccs3)CCC(=O)N2)cc1 15006517 MSBNWIRHRKSIKA-OPAMFIHVSA-N 400.544 3.948 0 50 HHAA Cc1cccc(NC(=O)Cn2nc(-c3ccc(C)c(NC(=O)C(C)C)c3)ccc2=O)c1 16625284 ARIBFHDWHWEIJB-UHFFFAOYSA-N 418.497 3.760 0 50 HHAA CCn1nc(C)c(CN2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1C 20449933 IHINCUYZCFOQIB-NRFANRHFSA-N 414.594 3.676 0 50 HHAA Cc1ccc(CN2CCN(Cc3nc4ccccc4n3CC(C)C)C[C@@H]2CCO)o1 20908962 IDWBYHULMNZFKB-FQEVSTJZSA-N 410.562 3.663 0 50 HHAA O=C(O)c1cccc(-c2ccc(C(=O)N3CCCN(C4CCCCC4)CC3)cn2)c1 67885948 VFHJQXKAJCUYCJ-UHFFFAOYSA-N 407.514 3.927 0 50 HHAA CC[C@@H](NC(C)=O)C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(OC(C)C)c12 72477040 PBZJPIWSWFDDMQ-QGZVFWFLSA-N 412.465 3.805 0 50 HHAA CC(C)=CCN1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@H]1CCO 104481713 JAMOXTCRXMTERV-OAQYLSRUSA-N 400.954 3.632 0 50 HHAA COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CC[C@H](C)OC 225738085 APYUNYLPTMYAGA-WMZOPIPTSA-N 406.523 3.631 0 50 HHAA Cc1cccc(NC(=O)[C@@H]2CCCN(C[C@H](O)Cc3ccc4ccccc4c3)C2)n1 252540179 OVGZOBWFBNCWGD-DHIUTWEWSA-N 403.526 3.797 0 50 HHAA Cc1ccnc(OC2CCN([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)c1 469763701 LGVPFJGPNGCWKN-NRFANRHFSA-N 415.484 3.703 0 50 HHAA CCN1CCC(CNc2noc(-c3ccc(Cl)cc3)c2C(=O)O)(N(C)C)CC1 1704313078 MXRBGMTVCLTWHB-UHFFFAOYSA-N 406.914 3.521 0 50 HHAA O=C(c1cnccn1)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857705263 ZXMXHPMKHGFXGX-OAQYLSRUSA-N 408.546 3.579 0 50 HHAA C[C@H](NC(=O)NCc1ncc(Cc2ccccc2)n1C)c1cc(F)c(F)c(F)c1 1875336817 NCJFIBXTFHQAPX-ZDUSSCGKSA-N 402.420 3.989 0 50 HHAA CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc2c(C(=O)O)cccc2s1 2325877247 NCDHOVCJXNWKRG-UHFFFAOYSA-N 418.421 3.979 0 50 HHAA COc1ccc(Nc2nnc(-c3ccc(C(=O)NCCO)cc3)c3ccccc23)cc1 2290847 HAYWTHZAXDGFJF-UHFFFAOYSA-N 414.465 3.771 0 50 HHAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 2876414 WCJUFRDLHRYUTQ-MRXNPFEDSA-N 402.516 3.704 0 50 HHAA NC(=O)c1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCc1ccccc1-2 4749475 PWMYEGPCLCZEPG-UHFFFAOYSA-N 406.463 3.636 0 50 HHAA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 7505382 XSMMFSSZLFHTLA-CYBMUJFWSA-N 407.488 3.805 0 50 HHAA CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCN(c3cc(C)ccc3C)CC2)c1C 8599886 AIUPQRMBXNWIOL-UHFFFAOYSA-N 411.546 3.706 0 50 HHAA O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697668 OYALIGPXDGPYLX-UHFFFAOYSA-N 409.881 3.623 0 50 HHAA COCc1ccc(C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)o1 11874826 BYEPWKQDLKHLCP-UHFFFAOYSA-N 402.466 3.514 0 50 HHAA COc1ccccc1-c1cc(C(=O)N(C)[C@H](C)c2ccco2)cc(-n2cnnn2)c1 11882274 KCXWYIGNFVMNJQ-OAHLLOKOSA-N 403.442 3.764 0 50 HHAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)c1ccoc1 12385627 OORKSHWEFHLLGH-UHFFFAOYSA-N 409.574 3.553 0 50 HHAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(C(=O)c2cnsn2)C1 12466683 GZWMWCICLSLBOH-MRXNPFEDSA-N 410.474 3.835 0 50 HHAA COc1cc(OC)c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC 13744852 PVIXOASYNAMLAM-UHFFFAOYSA-N 424.419 3.694 0 50 HHAA CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O 14744105 JKVPZQHIPIJCOW-UHFFFAOYSA-N 405.542 3.937 0 50 HHAA c1ccc2oc(C3CCN(Cc4nc(-c5ccc6c(c5)OCO6)no4)CC3)nc2c1 14961723 GEIALKJWQQWXOI-UHFFFAOYSA-N 404.426 3.986 0 50 HHAA Cc1nc(CC(=O)N[C@H](C)c2nnc(SCc3ccccc3C)n2C)cs1 14987232 WCENKVUUGAXTSX-CYBMUJFWSA-N 401.561 3.601 0 50 HHAA COc1ccc(-c2noc(CN3CCN(C4C5CC6CC(C5)CC4C6)CC3)n2)cc1 20773835 OTPXNVOISLLUIS-UHFFFAOYSA-N 408.546 3.688 0 50 HHAA O=C(O)c1c(F)c(I)cc(Br)c1Br 36532803 NLKXWPPBJQEQDR-UHFFFAOYSA-N 423.801 3.654 0 50 HHAA O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1ccc(Cl)c(Cl)c1 38783814 DIDDBVLFZBVEOC-UHFFFAOYSA-N 400.147 3.754 0 50 HHAA COc1ccc(CCN2CCC[C@@H](CN(C)Cc3nc4ccccc4n3C)C2)cc1 76949818 HOPHBPNWKOZLAZ-NRFANRHFSA-N 406.574 3.968 0 50 HHAA Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2[nH]cnc2C(=O)N2CCCCC2)c1 170618951 TUCLKYHPBXFUGU-UHFFFAOYSA-N 416.481 3.828 0 50 HHAA Cc1noc(C)c1CSCC(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2 225749795 ICLICETVJKNDPH-UHFFFAOYSA-N 409.552 3.527 0 50 HHAA COC(=O)c1ccccc1-c1ccc(CN2CCC[C@H](c3n[nH]cc3C(=N)O)C2)o1 328602514 BWPHRCXJHZVDQE-AWEZNQCLSA-N 408.458 3.719 0 50 HHAA Cc1c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 485391575 QZLAFZZKHDWQFU-UHFFFAOYSA-N 412.298 3.592 0 50 HHAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(-c2cc3ccccc3nc2OC)c1 1875248742 KWSFFAKWEAWEIN-FQEVSTJZSA-N 403.438 3.711 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 2325889696 JOXJJJJZPNUEMI-LJQANCHMSA-N 402.853 3.842 0 50 HHAA O=C(O)c1c(NCCc2noc([C@H]3CCCO3)n2)noc1-c1ccc(Cl)cc1 2356145695 RZBIKQAHALGUQJ-GFCCVEGCSA-N 404.810 3.582 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccc(Cl)cc2C)cc1 654607 PTTDLTLRJWMDEC-UHFFFAOYSA-N 406.935 3.775 0 50 HHAA COc1ccccc1N1CCN(C2CCN(Cc3c[nH]c4ccccc34)CC2)CC1 1166403 ISPMHXBWYNDTHC-UHFFFAOYSA-N 404.558 3.963 0 50 HHAA COc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc(OC)c1OC 2637701 SDIAGTFYLHJTBD-UHFFFAOYSA-N 404.894 3.637 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cccc4cc[nH]c34)CC1)OCC2 2356162471 CVDLUKBGTNWCMX-UHFFFAOYSA-N 406.482 3.889 0 50 HHAA O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CCCCCC1 2994129 DDCAWPAMQUCOLM-UHFFFAOYSA-N 420.962 3.934 0 50 HHAA COc1cc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1C 55269662 XHJZYLIVCQOCBV-QFIPXVFZSA-N 411.521 3.570 0 50 HHAA CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N 116109867 XRVDGNKRPOAQTN-FQEVSTJZSA-N 404.470 3.632 0 50 HHAA investigational Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)[C@@H]2CCCO2)CC1 12307947 RYYAINPRCBNBDB-DEOSSOPVSA-N 407.558 3.810 0 50 HHAA Cc1nn(C(=O)[C@]2(C)CC2(Br)Br)c(C)c1Br 2091033 NKXGLVVTNXQWRW-VIFPVBQESA-N 414.923 3.799 0 50 HHAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(C)[C@H](c2ccccc2)C1 39413221 OUKOGGNFXGTROH-NRFANRHFSA-N 419.573 3.695 0 50 HHAA O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H](F)[C@@H]1/C=C/[C@@H](O)C1Cc2ccccc2C1 43771952 WTYSXBKKVNOOIX-KSKLXAOMSA-N 402.506 3.855 0 50 HHAA in-vitro CCNS(=O)(=O)c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 17091212 RCAONZSVAOZFHQ-UHFFFAOYSA-N 417.600 3.636 0 50 HHAA C[C@@H](CNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)Cn1cc(Cl)cn1 20607021 NEJPGDOIUIUJFQ-QMMMGPOBSA-N 405.833 3.570 0 50 HHAA CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc(CC(C)C)cc1 20614195 PLYSAOIUNUWGGH-UHFFFAOYSA-N 414.369 3.685 0 50 HHAA COc1ccc([C@@H]2Cn3cnc(C(=O)NCc4ccc(OC(C)C)cc4)c3CO2)cc1 263616678 KACVLRNGWSZFTQ-QFIPXVFZSA-N 421.497 3.880 0 50 HHAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ccccc1S(=O)(=O)Cc1ccccc1 952990904 JPOQEYQMVNRWHH-NRFANRHFSA-N 424.522 3.515 0 50 HHAA O=C(CN1CCCCC1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 5050020 WZQDAOLBVZDEBK-UHFFFAOYSA-N 411.571 3.981 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(c2cc(C)nc(N)n2)C1 12205289 BWJPGUVGPKFKIA-AWEZNQCLSA-N 403.914 3.665 0 50 HHAA CCCn1ncc(CN2CCC[C@](Cc3cccc(OC)c3)(C(=O)OCC)C2)c1C 12707341 UXNPYKVMKYXZSP-XMMPIXPASA-N 413.562 3.998 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cc(OC)c(O)c(OC)c3)C2)c(OC)c1 12708117 JCOITLYCNKLQLU-INIZCTEOSA-N 415.486 3.522 0 50 HHAA CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 13563942 OTQDLQQBDUZGJH-FXKZBUDASA-N 422.493 3.549 0 50 HHAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(C/C=C/c1ccccc1)CC2 14542407 FBXCPAAKHANFBQ-NTEUORMPSA-N 400.526 3.705 0 50 HHAA Cc1nn(C)cc1[C@@H](C)NC(=O)CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1 14884296 AAIMURBMLFXUTI-NSYGIPOTSA-N 418.541 3.731 0 50 HHAA CCCCn1c(CN(C)Cc2cn(C)nc2C)cnc1S(=O)(=O)CCCC(C)C 15075438 PSUXOAOJGOSQDE-UHFFFAOYSA-N 423.627 3.567 0 50 HHAA O=C(c1cnc2c(c1)CCCC2)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857735456 OMLHOKHMYQUAJN-ZEQRLZLVSA-N 405.542 3.639 0 50 HHAA CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)CSc1ccncc1 804313859 YUJHKQLUCLVMAV-LJQANCHMSA-N 413.543 3.824 0 50 HHAA CCc1ccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cnc3[nH]cnc3c2)cc1 1875262656 MRMGTQKLCPRHBZ-JOCHJYFZSA-N 400.482 3.896 0 50 HHAA Cc1cc2ncn(C[C@@H](O)COc3ccc(I)cc3)c2cc1C 2872963 IRTFBEOXIAOMAK-OAHLLOKOSA-N 422.266 3.698 0 50 HHAA Cn1c(C(=O)N2CCCN(c3nc4ccccc4o3)CC2)cnc1-c1ccccc1 2100545403 SUYJVRRKPOUUSU-UHFFFAOYSA-N 401.470 3.581 0 50 HHAA Cn1ccnc1[C@@H](NC(=O)N1C[C@@H]2CCCN2c2ccccc21)c1ccc(F)cc1 2325709331 OURBQXVAXVJMDM-RXVVDRJESA-N 405.477 3.847 0 50 HHAA Cc1ccccc1OCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1 692672 COJNJPQLAUCEQS-UHFFFAOYSA-N 402.406 3.688 0 50 HHAA CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CCCCC1 894791 FOKSXRKLWGQCRA-NRFANRHFSA-N 407.514 3.706 0 50 HHAA Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c(Br)c1 897194 KWUYXRYKHBYYSQ-UHFFFAOYSA-N 418.320 3.679 0 50 HHAA O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN1S(=O)(=O)c1cccc2ccccc12 1085409 WXJOWIGQOQYYGU-QGZVFWFLSA-N 415.902 3.680 0 50 HHAA aggregator CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1cc(Cl)c(O)c(OC)c1 1134503 DAFHHHYGCNMLIJ-UHFFFAOYSA-N 423.893 3.756 0 50 HHAA COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1 1151617 IXMZGTMVDPHEFD-UHFFFAOYSA-N 404.422 3.827 0 50 HHAA CCNC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2OC)sc2c1CCCC2 1176995 YSHGBLMYTMNOPK-CYBMUJFWSA-N 402.516 3.791 0 50 HHAA COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(F)c2)c(OC)c1C 1188955 AZOZYCDUSJUXPX-SFHVURJKSA-N 415.490 3.583 0 50 HHAA O=C(c1ccccc1)c1cc[n+](CCC[n+]2ccc(C(=O)c3ccccc3)cc2)cc1 1205257 GAMHOAUTWSYPHS-UHFFFAOYSA-N 408.501 3.814 0 50 HHAA O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccs1 2856980 NJSVQQRSDSSTQO-UHFFFAOYSA-N 417.537 3.676 0 50 HHAA Cc1c(NS(=O)(=O)c2ccc(F)c3ccccc23)c(=O)n(-c2ccccc2)n1C 4751668 CBNUBOPQGPCQQL-UHFFFAOYSA-N 411.458 3.578 0 50 HHAA Cc1cccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4ccsc4n3)c2)c1 8607818 ATOIBTBMCXVTCW-UHFFFAOYSA-N 419.462 3.674 0 50 HHAA O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc(Cl)cc1Cl 11697786 TWIPKCPZYZMELG-UHFFFAOYSA-N 403.273 3.764 0 50 HHAA CSc1nc(C(=O)NC[C@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)cs1 11841649 BNEXAXVJDJIHDK-CYBMUJFWSA-N 418.931 3.709 0 50 HHAA O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1)c1ccco1 12202617 MFDGKFOXYBBGRH-SFHVURJKSA-N 424.522 3.777 0 50 HHAA O=C(CC[C@H]1CCCN(C(=O)Cn2cccn2)C1)Nc1ccc(C(F)(F)F)cc1 12706431 NTYHLDDPIVGDQT-OAHLLOKOSA-N 408.424 3.559 0 50 HHAA COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)CC3=CCCCC3)C2)cc1 14982799 SEQNUPGCFWVWSA-GGAORHGYSA-N 410.558 3.968 0 50 HHAA CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)n1nc(-c2ccc(C)cc2)ccc1=O 20095575 DXRREFYCHSQYDW-LJQANCHMSA-N 407.470 3.826 0 50 HHAA C(=C/c1ccccc1)\CN1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23374655 JIGSNCQNCGVDRW-CZDPRXMLSA-N 419.569 3.711 0 50 HHAA O=C(c1c[nH]n2c1nc(=O)c1ccccc12)N1Cc2ccccc2[C@@H](c2ccccc2)C1 115708165 XSOPCTGACPKQIB-JOCHJYFZSA-N 420.472 3.964 0 50 HHAA O=C(N[C@@H]1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)C1)c1ccc2[nH]cnc2c1 169754035 FEOAYJNNBYHJRX-MRXNPFEDSA-N 406.877 3.615 0 50 HHAA CC(C)=CC(=O)Nc1ccc(CC(=O)N2CC[C@H](OCc3c(C)noc3C)C2)cc1 170595481 KURGEKRNKXZNCD-FQEVSTJZSA-N 411.502 3.556 0 50 HHAA C[C@H](Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)C(=O)c1ccccc1 245227716 MBZQPGVSSILVKD-DIHZGPDVSA-N 413.473 3.894 0 50 HHAA Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3nc(C(F)(F)F)n[nH]3)cc12 482213390 RTHJYXCDURNQDF-UHFFFAOYSA-N 420.420 3.521 0 50 HHAA O=C(C1=NN(c2ccccc2)C(=O)CC1)N(Cc1ccccc1)C[C@H](O)c1ccco1 752767754 JJNDBFMOSLXJFN-NRFANRHFSA-N 417.465 3.525 0 50 HHAA Cc1cc(-c2cc(S(=O)(=O)N3CCC[C@H]3c3nc(C(C)C)no3)c(C)s2)n[nH]1 952976629 SYZQOEPZKOVTIR-AWEZNQCLSA-N 421.548 3.787 0 50 HHAA CCn1cncc1CNC(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857695542 NRFYJZRKRUAWST-CQSZACIVSA-N 401.898 3.621 0 50 HHAA COC1(C(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)CCN(C2CCCCC2)CC1 1857718129 ACUBOCAADYOQIQ-GOSISDBHSA-N 418.582 3.713 0 50 HHAA O=C(c1ccncc1F)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1 2100483828 QPSLFTCCDWSPHC-HSZRJFAPSA-N 405.473 3.799 0 50 HHAA COc1ccc(C(=O)Nc2cccc(-c3nc(C)cc(O)n3)c2)cc1-c1ccnn1C 2325718957 SEFQDRIHWBJELH-UHFFFAOYSA-N 415.453 3.819 0 50 HHAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 862575 KAJRQTRNHODJSI-GOSISDBHSA-N 417.918 3.789 0 50 HHAA CCOC(=O)c1sc(NC(=S)Nc2nc(C)cc(C)n2)c(C(=O)OCC)c1C 2858496 BKXBHLDMVYTYCY-UHFFFAOYSA-N 422.532 3.626 0 50 HHAA Cn1c(/C=C/c2ccc(F)cc2)nc2ccc(I)cc2c1=O 4666676 RBUDAEPZHWABRC-RUDMXATFSA-N 406.198 3.848 0 50 HHAA COc1cc(C=O)ccc1OCCOc1ccc(C)cc1I 4701911 CWTAJTDQSGKEIZ-UHFFFAOYSA-N 412.223 3.879 0 50 HHAA COc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(OC)cc2)CC3=O)cc1 4840464 RMAIZIKYJPFFGQ-INIZCTEOSA-N 403.438 3.659 0 50 HHAA Cc1ccc2[nH]c(=O)c(CNS(=O)(=O)c3ccccc3)c(-c3ccccc3)c2c1 8739198 VKGFHXJHHFHCJR-UHFFFAOYSA-N 404.491 3.982 0 50 HHAA CCOc1cc(CN2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)ccc1O 11839558 FGVRGRQLQIVSIV-OAQYLSRUSA-N 424.541 3.735 0 50 HHAA COC(=O)CCC(=O)N(Cc1cccnc1)CC1CCN(Cc2ccccc2C)CC1 12308254 LEKVIBPGFGILBO-UHFFFAOYSA-N 423.557 3.584 0 50 HHAA CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)/C=C/c2cccnc2)CC1 12319866 NWCCEPUQCNGYLH-ZHACJKMWSA-N 408.498 3.736 0 50 HHAA COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1 12381878 ZSMCPQUQTFEDHU-UHFFFAOYSA-N 415.921 3.906 0 50 HHAA CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccc(OC)cc1)C2 14534529 LFAYGNJPZOGOQI-IBGZPJMESA-N 410.562 3.575 0 50 HHAA COc1ccccc1CCC(=O)NCc1nnc(SCc2ccc(F)cc2)n1C 14991228 BWXQSGMPZHQXIS-UHFFFAOYSA-N 414.506 3.504 0 50 HHAA c1ccc(N2CCC(N3CCC[C@H](N4CCN(c5ccccc5)CC4)C3)CC2)cc1 19835724 MAPRHSRCOWJUEF-SANMLTNESA-N 404.602 3.942 0 50 HHAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccccc2Cl)CC1 19851256 MSIJANJDFRULQF-UHFFFAOYSA-N 400.931 4.000 0 50 HHAA Cc1cc(NCCCN2CCOCC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 20533599 FLJQYJMRPIZCGK-UHFFFAOYSA-N 419.451 3.858 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc5[nH]ccc5c4)C3)[nH]n2)cc1 169753685 KSMXJHVSEMGGOB-LJQANCHMSA-N 415.497 3.965 0 50 HHAA CC(C)c1noc(-c2cn([C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)nn2)n1 169777833 MEKILQVVUXRFHM-OAHLLOKOSA-N 400.870 3.582 0 50 HHAA CN(C)c1nnc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2)o1 225531050 WGBAQBBRQYRTRP-UHFFFAOYSA-N 413.286 3.910 0 50 HHAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCC1(c2ccccc2)CCCCC1 229553608 ONANNVVSDKBGBJ-IRFCIJBXSA-N 415.603 3.731 0 50 HHAA CN(C)Cc1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1 240412691 FNUFYMYCJGJTTK-CQSZACIVSA-N 416.400 3.644 0 50 HHAA Cc1ccc2nc(NC(=O)[C@H](CC(C)C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)sc2c1 248332728 JCRBQCKDWGNTBV-INMHGKMJSA-N 411.527 3.909 0 50 HHAA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 253388000 GGLSEWRQQAGAHM-SAABIXHNSA-N 413.522 3.596 0 50 HHAA Cc1oc(-c2ccccc2NC(=O)[C@@H]2CCCO2)nc1CNC(=O)c1ccsc1 299763871 GDMLCODTNPKGAU-SFHVURJKSA-N 411.483 3.759 0 50 HHAA O=C(NC[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1)c1ccco1 952974969 GGWPGISJRDNYKH-KRWDZBQOSA-N 402.498 3.872 0 50 HHAA Cc1nccn1Cc1ccccc1NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 952976786 GZCYLICQBDWFQN-QFIPXVFZSA-N 402.498 3.873 0 50 HHAA CC(C)N=c1[nH]c(-c2cccnc2)nc2c1CC[C@@]21CCCN(Cc2cccnc2)C1 1875251518 QTSSPTUGLBGTEO-RUZDIDTESA-N 414.557 3.656 0 50 HHAA CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)c3ccc(O)nc3C(C)C)O2)CC1 2100556174 GZMAVNLKNSIVMU-SFHVURJKSA-N 401.551 3.620 0 50 HHAA O=C(CCc1cn[nH]c1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2CC1CCCCC1 2356162753 QWTVFTUTXVITSL-MLNNCEHLSA-N 412.578 3.541 0 50 HHAA CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCN(C(=O)OCC)C2 722314 VGPWTFYBPQKGKW-UHFFFAOYSA-N 416.499 3.621 0 50 HHAA Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)cc1 851727 IQJJLTRUCSVKIK-ZDUSSCGKSA-N 420.250 3.591 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccccc2C)cc1 882452 HPYPWLVXVTYHHK-UHFFFAOYSA-N 400.544 3.757 0 50 HHAA CC(C)(C)Cc1nnc(NC(=O)c2cccc(I)c2)s1 987054 IAIJQFAPECKAOU-UHFFFAOYSA-N 401.273 3.984 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccc(C)o4)cs3)CC2)cc1 1094731 NGRUFHQHPLJBBE-UHFFFAOYSA-N 403.529 3.531 0 50 HHAA COc1ccccc1CNC(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1 2764249 ZICDUIYQAVIMDZ-UHFFFAOYSA-N 418.291 3.842 0 50 HHAA Cc1c(CNC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cnn1C 2769119 YMABLJOEAQJIOR-UHFFFAOYSA-N 400.438 3.602 0 50 HHAA O=C1NC(=O)[C@](CCc2ccccc2)(C2CCN(C/C=C/c3ccccc3)CC2)N1 11910308 QCOVLLBPBLGVAZ-FRHHVXPKSA-N 403.526 3.623 0 50 HHAA Cc1nc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccccc4F)CC3)O2)cs1 11997287 IQZXBHZNNPIATC-QGZVFWFLSA-N 403.523 3.534 0 50 HHAA COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3cccc4cccnc34)c2C)cc1 12373163 KITFSXUVDSGCBU-OAHLLOKOSA-N 422.510 3.777 0 50 HHAA O=C(COc1ccc(Br)cc1)Nc1ccc(C(=O)N2CCCC2)cc1 12404478 IDMVDPITXVTZJD-UHFFFAOYSA-N 403.276 3.703 0 50 HHAA CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N(C)CCc1ccccn1)C2 14535016 RJPNDOYIAIJCBS-NRFANRHFSA-N 423.605 3.736 0 50 HHAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NC1CCCCCCC1)C2 14749138 PNCRFJZSYOIXLH-FQEVSTJZSA-N 416.610 3.571 0 50 HHAA O=C1CC[C@](CCC(=O)N2CCC(c3nc4ccccc4o3)CC2)(Cc2ccco2)N1 14963663 NEXUDNMSGOJOLQ-DEOSSOPVSA-N 421.497 3.799 0 50 HHAA COc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 16447573 WIISBJFFEFMLML-UHFFFAOYSA-N 424.522 3.777 0 50 HHAA Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4[C@H](C(=O)O)[C@H]5C=C[C@H]4O5)cc3)sc2c1 239038464 DGNJHVRRXNEMGY-PSBWJHGTSA-N 406.463 3.864 0 50 HHAA COC(=O)C(C)(C)[C@H](NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)c1ccccc1 239722390 CCPMVEGLFZGMET-UIAACRFSSA-N 408.498 3.951 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N(C)[C@H](C)c3ccncn3)csc2C1 426662244 NNMAZQIIXJLOHW-CQSZACIVSA-N 411.531 3.534 0 50 HHAA CCc1ccc(CN2C[C@@H](C(=O)NC3CCN(c4cccc(C)c4)CC3)CC2=O)cc1 670438620 IMJKDTODTKIPJP-QFIPXVFZSA-N 419.569 3.691 0 50 HHAA O=C1/C(=C/N[C@@H]2COc3cc(F)cc(F)c32)c2ccccc2C(=O)N1c1ccccn1 783687971 RTRHYYOEAZEMAY-QIPHDZALSA-N 419.387 3.611 0 50 HHAA COc1cccc(-n2cc([C@@H](C)NC(=O)CCn3c(C)nc4ccccc43)cn2)c1 824792511 KRDLEUGUOLJBOR-MRXNPFEDSA-N 403.486 3.807 0 50 HHAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc(C(F)(F)F)c3)C1)CC2 1704297126 IBOGCUHVEITFKB-FQEVSTJZSA-N 404.436 3.682 0 50 HHAA CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 1875256038 ZSIJBNUXHSZCRV-RTWAWAEBSA-N 405.502 3.679 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccn(C)c4C)C3)[C@@H]3CCCCN23)c1 2356142768 GWAPPSDVSRBTAQ-QKYMMTCKSA-N 421.585 3.900 0 50 HHAA COc1ccc(-n2nc3ccc(NC(=S)NC(=O)C(C)(C)C)cc3n2)cc1Cl 724747 VKZZNPPAQHUUTK-UHFFFAOYSA-N 417.922 3.942 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccco4)cc3n2)cc1 825524 KBGGOKIGTSIMGV-UHFFFAOYSA-N 416.359 3.947 0 50 HHAA O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1123629 YDPGZXGMSMKYGF-OAHLLOKOSA-N 421.931 3.742 0 50 HHAA aggregator COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)c1 1172715 PYCKXBMXPNFKSZ-FQEVSTJZSA-N 411.527 3.752 0 50 HHAA COc1ccc(C(=O)CN2C(=O)O[C@@H](c3ccccc3)[C@]2(O)c2ccccc2)cc1 1422470 PJDQYVLNACAXBY-LADGPHEKSA-N 403.434 3.917 0 50 HHAA O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 4179241 XPQRTZDIRPPNBW-YADHBBJMSA-N 406.526 3.811 0 50 HHAA COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)c(Cl)c1)S(C)(=O)=O 4724263 FIMRXIPXFFLMFJ-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccc(Br)cn1 8715389 RVWYDFYMFRKFIV-UHFFFAOYSA-N 421.276 3.537 0 50 HHAA O=C(NCc1cccnc1)c1cccc(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)c1 11820559 YEWWDURHTNENJN-FQEVSTJZSA-N 419.525 3.738 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc(C3CC3)on2)C1 12055323 ZRXHYUBELSMTFR-JOCHJYFZSA-N 418.440 3.858 0 50 HHAA COCCN(Cc1cc(CC(C)C)[nH]n1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 12302048 BQUKZNYDUAGIJH-OAQYLSRUSA-N 424.633 3.936 0 50 HHAA CN(C)Cc1ccc(C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)o1 12386508 GGPGBNFUVKOVOO-UHFFFAOYSA-N 401.526 3.507 0 50 HHAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C3Cc4ccccc4C3)CC2)c1 12468198 GUOIHZVVPLWCNS-UHFFFAOYSA-N 420.553 3.942 0 50 HHAA Cc1cccc(Cc2nnc(CCC(=O)N(C)[C@@H](C)c3ccc4c(c3)OCCO4)o2)c1 12701500 VOKDIBQAEUGTHA-KRWDZBQOSA-N 421.497 3.892 0 50 HHAA O=c1[nH]c(CSc2nc3ccccc3c(=O)n2-c2ccccc2)nc2ccccc12 12772463 HZNVFYDCJDUDIE-UHFFFAOYSA-N 412.474 3.915 0 50 HHAA C[C@]1(C2CCN(C3Cc4ccccc4C3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O 19228729 KLVWYVAOUAIVIV-RUZDIDTESA-N 421.516 3.516 0 50 HHAA Cc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(Nc2cccc(C(F)(F)F)c2)n1 36235581 SLONYCYWSMKUJE-UHFFFAOYSA-N 416.407 3.898 0 50 HHAA COc1cccc(C(=O)N2CCC[C@H]3CN(C(=O)/C=C/c4cccs4)CC[C@@H]32)c1 43619529 VOMBHAIQGFIEPR-VXUXFXFSSA-N 410.539 3.923 0 50 HHAA CC(=O)c1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 100971405 UXDXBSPAQABXMO-LATRNWQMSA-N 403.434 3.644 0 50 HHAA Cc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc6c(c5)OCO6)no4)c3CO2)c(C)c1 169758495 HBAOZQAYNFREII-IBGZPJMESA-N 417.425 3.612 0 50 HHAA CCOc1ccccc1-c1nc(-c2nnn3c2CO[C@@H](c2ccc(OC)cc2)C3)no1 169769119 XJBADYOSHJUHMO-LJQANCHMSA-N 419.441 3.674 0 50 HHAA Cc1nc(N2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)cc(C(F)(F)F)n1 169772577 FHOTXDHFEZPRIL-CQSZACIVSA-N 406.452 3.940 0 50 HHAA CCN(CCNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)CC(F)(F)F 170605845 ZDUFAXCGIJCZFF-UHFFFAOYSA-N 414.449 3.800 0 50 HHAA Cc1noc(-c2ccccc2C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 225572988 OPFNHRQEJDNOGX-UKRRQHHQSA-N 400.479 3.563 0 50 HHAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(Br)cc1Br 239135354 LCTZCMLCOCBJDW-GYBADROVSA-N 415.081 3.673 0 50 HHAA O=C1[C@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1C[C@H]1CCCO1 239425795 VGOXVPURXGSVDR-NSISKUIASA-N 401.846 3.579 0 50 HHAA Cc1cccc(C2=C/C(=C(\O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)N=N2)c1O 334157922 LVEVQYWPKYGXCH-NXHAUGRDSA-N 415.471 3.517 0 50 HHAA Cc1cc(C)cc(CSCC(=O)N2CCC[C@@H](CNC(=O)c3ccoc3)C2)c1 952991258 WCHUFPLZHXZLTN-SFHVURJKSA-N 400.544 3.798 0 50 HHAA c1cc(OCCCCN2CCOCC2)cc(-c2nccn2CC[C@@H]2CCCOC2)c1 1857672664 JJORZDBSOYZTEK-NRFANRHFSA-N 413.562 3.858 0 50 HHAA O=C1C[C@H]2N(Cc3ccc(OC(F)F)cc3)CC[C@]23OC[C@@H](c2ccccc2)N13 1857708024 QAUIXRNFCHDJOY-JQVVWYNYSA-N 400.425 3.562 0 50 HHAA CC(C)(C)c1csc(CCNC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1 2325724933 ACKHNHPBYRTGAQ-KOMQPUFPSA-N 419.978 3.815 0 50 HHAA O=C1N(CCn2cccn2)c2ccccc2[C@@]12CCN(Cc1ccc3[nH]ccc3c1)C2 2356155016 UBZROGNNEMPUID-VWLOTQADSA-N 411.509 3.555 0 50 HHAA CCN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 1069534 IBSCTPUKUBVNSY-HNNXBMFYSA-N 411.527 3.743 0 50 HHAA Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2C)c1 2879629 YFEXJNZSTIFPES-UHFFFAOYSA-N 418.559 3.958 0 50 HHAA CCOC(=O)c1c(NC(=O)CSc2nc(-c3ccco3)n[nH]2)sc(C)c1C 4210518 LTTJVSIBFUEAIY-UHFFFAOYSA-N 406.489 3.651 0 50 HHAA COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 4855507 ZOLBRCNSANUNFS-SFHVURJKSA-N 416.543 3.660 0 50 HHAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)cc2)c1C 6292411 ITKKFCVDVGXZFD-HNNXBMFYSA-N 418.302 3.615 0 50 HHAA O=C(N[C@H](c1cccnc1)C(F)(F)F)c1cc(COc2c(F)cccc2F)on1 11665406 NPTMMPGGRGZDSN-MRXNPFEDSA-N 413.302 3.960 0 50 HHAA COc1cccc2ccc(CN3CCC(CCC(=O)NC[C@@H]4CCCO4)CC3)nc12 11952864 OQHYXONBRDCHST-NRFANRHFSA-N 411.546 3.531 0 50 HHAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2c(C)cc(C)[nH]c2=O)C1 12224708 QABVPXLSJQFRQI-RUZDIDTESA-N 424.541 3.800 0 50 HHAA CCc1noc(C)c1C(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12759208 JSSBKFJDFZQYHX-JOCHJYFZSA-N 403.473 3.952 0 50 HHAA COCCN(Cc1cnn(C(C)C)c1)CC1CCN(Cc2ccccc2OC)CC1 14977282 SXZDOJKJEINWGN-UHFFFAOYSA-N 414.594 3.833 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc(Cl)cc1 15769740 TUOYELDAUQFPKE-UHFFFAOYSA-N 417.712 3.507 0 50 HHAA C/C=C/c1ccc(OCCOCCN2CCN(Cc3ccccc3)CC2)c(OC)c1 20500168 DLQFWHMSLKNRKJ-XVNBXDOJSA-N 410.558 3.942 0 50 HHAA O=C(O)c1ccc(-c2cc(C(=O)O)c(-c3ccc(C(=O)O)cc3)cc2C(=O)O)cc1 204269927 AMSDUJSGRUNTLC-UHFFFAOYSA-N 406.346 3.813 0 50 HHAA CC(C)[C@H](NC(=O)Cn1cnc2cc(F)c(F)cc21)c1ccc2c(c1)OCCO2 225500684 QHTCSGPAIGBEDL-NRFANRHFSA-N 401.413 3.599 0 50 HHAA CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCCCCc2cccc(C(F)(F)F)c2)C1 239359521 AEKXSPKYFKQMGD-FUHWJXTLSA-N 416.484 3.846 0 50 HHAA CS[C@@H](C)CNC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C 241588524 PDVLCAFCFGCNEO-ZDUSSCGKSA-N 411.524 3.808 0 50 HHAA CS(=O)(=O)Nc1ccccc1[C@H]1CC(c2ccco2)=NN1C(=O)c1ccccc1 252511114 ZUJBXABTSDULLF-LJQANCHMSA-N 409.467 3.643 0 50 HHAA Fc1cc(Br)ccc1-c1noc(CCc2nc(-c3ccccn3)no2)n1 445447511 SNYGFJIXNDOKAR-UHFFFAOYSA-N 416.210 3.868 0 50 HHAA Cc1cc(F)c2nc(O)cc(C(=O)N(C)[C@@H](C)c3ccc([S@@](C)=O)cc3)c2c1 485749627 ZAHUKVVRAVETDR-CFJPQMKISA-N 400.475 3.959 0 50 HHAA O=C(c1ccccn1)[C@@H]1CCCN(Cc2ccccc2OCC(=O)N2CCCCC2)C1 952980055 XCFYNZIVLOCFRC-OAQYLSRUSA-N 421.541 3.568 0 50 HHAA CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc2nc(O)oc2c1)c1ccc(Cl)cc1 1461921402 ZPIUISUYQQPPCT-PIGZYNQJSA-N 401.850 3.632 0 50 HHAA O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1cccc(N=c2cncc[nH]2)c1 1875309476 XJDYVZZHQDBQBO-UHFFFAOYSA-N 407.437 3.833 0 50 HHAA CC(C)n1cnc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)O)c1 2325853670 YOOUIBMWVDDVJC-UHFFFAOYSA-N 401.444 3.755 0 50 HHAA CNC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)Cn1c(-c2ccccc2)cc2ccccc21 2325898486 GZBHFNNDAOXVJJ-RRPUWOKSSA-N 401.510 3.824 0 50 HHAA COCCN1CCC[C@@]2(CCCN2Cc2cc(Cl)cc(Cl)c2OC)C1=O 2356169958 NWRWBRHRUCIQBB-LJQANCHMSA-N 401.334 3.605 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)O)c2ccccc2)cc1 4019143 AXQAKCUZTZZLRQ-UHFFFAOYSA-N 424.478 3.527 0 50 HHAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn2cc(Br)cnc12 4867349 OXMXZPWNELSNPJ-UHFFFAOYSA-N 401.142 3.643 0 50 HHAA CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)cc(C)c3)cc2)s1 22341690 IATMTMWSHWYIDP-UHFFFAOYSA-N 416.528 3.770 0 50 HHAA CC(=O)c1cc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cs1 20201320 OQBRJFNYACXYOK-NRFANRHFSA-N 401.551 3.876 0 50 HHAA CCCOC(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 77517749 GIAJJFUJXYPMAT-UHFFFAOYSA-N 414.527 3.733 0 50 HHAA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 257358362 SZTAYWGUFKACAE-FOVOPPJFSA-N 408.510 3.552 0 50 HHAA COC(=O)c1cn(C[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc2c(=O)[nH]nc1-2 263588603 WCIIGSZZFUPDGL-SFHVURJKSA-N 412.449 3.776 0 50 HHAA C/C(=C\c1ccccc1)CN1CCOc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2C1 299771835 VXXQQNCGUUAICH-POEBIKTISA-N 419.569 3.682 0 50 HHAA CCCOc1ccc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OCC)C2)cc1OCC 170600828 LDXGKBHWMUBYFW-AEFFLSMTSA-N 406.523 3.861 0 50 HHAA Cc1cccc(CC(=O)NCC2CCN(Cc3nc4ccccc4nc3C)CC2)c1 1506396692 MOABQAWOFATTTM-UHFFFAOYSA-N 402.542 3.818 0 50 HHAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1cn(CCCc2ccccc2)nn1 12072612 CNMXLQRXZOPHFG-UHFFFAOYSA-N 418.476 3.508 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1 12612205 ZAJVSQQCVRSNIM-LJQANCHMSA-N 402.432 3.991 0 50 HHAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3C)n2)cc1NC(C)=O 16648417 DZQPJEYWPCXGHL-UHFFFAOYSA-N 422.460 3.517 0 50 HHAA Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 19565131 CAOADUYDEIMVFE-IBGZPJMESA-N 402.498 3.613 0 50 HHAA COc1c(C)cc(Br)cc1C(=O)Nc1ccc(CN2CCOCC2)cc1 19831877 SNAXAXJLHAGEMV-UHFFFAOYSA-N 419.319 3.851 0 50 HHAA CCCc1c(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O 19943062 AZQVFEBAHPQBTK-UHFFFAOYSA-N 402.542 3.942 0 50 HHAA COc1ccc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)cc1CN1CCCC1 1857683526 IGGMKDRPJHQQID-UHFFFAOYSA-N 403.486 3.512 0 50 HHAA NC(=O)c1ccc(CN2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)cc1 1857690484 FRCLFOFPJMBQIB-XMMPIXPASA-N 421.585 3.857 0 50 HHAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccccc1CC)C2 1857695914 DYPUCCFJULJIGT-VDKIKQQVSA-N 414.590 3.505 0 50 HHAA Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(CO)cc2)C1 1857707634 WWHLHOUDGFXCBQ-WOJBJXKFSA-N 414.933 3.541 0 50 HHAA C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc2c(O)ncnc2c1 1298397586 ZUHHISLJORCRSE-XIKOKIGWSA-N 417.387 3.956 0 50 HHAA O=C(O)c1n[nH]c2ccc(NCc3ccc(OCCn4ccnc4)c(Cl)c3)cc12 1875302015 WQTLGNDGKWHHSC-UHFFFAOYSA-N 411.849 3.802 0 50 HHAA O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1ccc(-c2nc[nH]n2)cc1 1320356385 BVULFDBHTIOZHU-UHFFFAOYSA-N 401.474 3.586 0 50 HHAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc1OC 1189178 NEFGITYMIBBRAT-GOSISDBHSA-N 417.918 3.789 0 50 HHAA CN(C)Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)ccn1 2325719617 UQDWWASIOAIAQI-UHFFFAOYSA-N 400.280 3.548 0 50 HHAA CCN1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(OC)cc2)CC1 815718 CBUONZNHNPZENB-UHFFFAOYSA-N 403.910 3.508 0 50 HHAA CCc1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 1147610 XKRDHMSYJXFPKI-UHFFFAOYSA-N 401.315 3.961 0 50 HHAA CCc1ccc(NC(=O)CSc2nnc(-c3cccc(NC(C)=O)c3)n2C)cc1 1182497 CLDAZVCLDKHYPW-UHFFFAOYSA-N 409.515 3.734 0 50 HHAA O=C(NCCN1C(=O)c2ccccc2[C@]1(O)c1ccc(Cl)cc1)Nc1ccccc1 2307364 CVAQXRFPUJBQOW-HSZRJFAPSA-N 421.884 3.811 0 50 HHAA C[C@@H](NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)[C@H]1CCCO1 2781342 HSCFNPKSROKSGV-ZWNOBZJWSA-N 410.421 3.774 0 50 HHAA Cc1cc(C)n(Cc2ccc(NC(=O)c3c(Br)c(C)nn3C)cc2)n1 2782619 CGLCFBQXDWOFIB-UHFFFAOYSA-N 402.296 3.605 0 50 HHAA CCOc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 4725548 XPMSPEVMAUWDQR-UHFFFAOYSA-N 421.585 3.642 0 50 HHAA CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccccc1 4905694 LJQMJYGHPCKMEQ-OAQYLSRUSA-N 422.481 3.887 0 50 HHAA Cc1c(C(=O)N[C@H](C)CCCC(C)(C)O)cnn1-c1nccc(-c2cccs2)n1 11786496 LKANJNKYYCIBFP-CQSZACIVSA-N 413.547 3.759 0 50 HHAA CCOc1ccccc1CN1CCC(CCC(=O)NC[C@H]2CCCN2CC)CC1 11839116 QHTQUOUYQCDFEH-JOCHJYFZSA-N 401.595 3.678 0 50 HHAA O=C(CCC1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1cccc(C(F)(F)F)c1 11873764 LQEKZHPNDHTXNM-GOSISDBHSA-N 412.452 3.519 0 50 HHAA COCCCNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C1CC1 11910240 HBYKBPVDCZSJFJ-UHFFFAOYSA-N 411.531 3.651 0 50 HHAA O=C(CCn1cnc2ccccc21)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 12307270 HYZFQPBXYNRUHT-UHFFFAOYSA-N 411.933 3.924 0 50 HHAA CCc1c(O)nc(SCC(=O)Nc2c(C)cccc2C)n(-c2ccccc2)c1=O 15837511 WIOFCPIXQZFSPL-UHFFFAOYSA-N 409.511 3.848 0 50 HHAA C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 16122265 QILGDVBYUVAHSX-KBPBESRZSA-N 414.574 3.501 0 50 HHAA CCn1ccnc1CN1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 20996212 HQIWJRDYRQRZNN-HXUWFJFHSA-N 421.511 3.708 0 50 HHAA CCCN(C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)C1CCCC1 82097620 JOZRIMGDSFHXFQ-QFIPXVFZSA-N 412.622 3.939 0 50 HHAA Cc1oc(C(C)C)cc1C(=O)N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91973889 WXUOOGHBJRJLEB-GOSISDBHSA-N 402.535 3.735 0 50 HHAA COC(=O)[C@@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)C[C@@H]1c1ccsc1 170601141 ZZLIUXFGGYDWOT-QZTJIDSGSA-N 400.475 3.635 0 50 HHAA Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C(N)=O)cc1C 239091004 HOXIIWMCUSQMAB-UOVPBQLFSA-N 424.522 3.901 0 50 HHAA CC(C)(C)N1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 248216582 GIVXEPLJHRKPOA-WNHJNPCNSA-N 406.507 3.615 0 50 HHAA C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n(C)n1)[C@H]1C[C@H]2CC[C@H]1C2 248261126 QPPGMHIYLRSRQW-RAAXHIGGSA-N 412.578 3.529 0 50 HHAA Cc1ccc(N2CCC[C@H](Nc3ncnc4c3c(Br)nn4C)C2)cc1 301464389 PGVKSTDEPZHRDP-ZDUSSCGKSA-N 401.312 3.515 0 50 HHAA COc1ccccc1NC(=O)COc1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc1OC 428520806 XRQWBRBSUCCLCC-QFBILLFUSA-N 424.497 3.736 0 50 HHAA CCn1c(CN(Cc2cncs2)C2CCN(C(C)=O)CC2)nc2c(F)cccc21 429147211 DOFPFQXNEFZNEW-UHFFFAOYSA-N 415.538 3.665 0 50 HHAA COc1ccc(-c2cc(C(=O)N[C@@H]3C[C@H]4OCCC[C@@H]34)nn2-c2ccccc2)cc1 439021854 NRYZWMCJLCDGIV-MIZPHKNDSA-N 403.482 3.845 0 50 HHAA Cn1c(C(=O)N2CCC([C@H]3OCCC[C@@H]3N)CC2)cc2cc(C(F)(F)F)ccc21 1775988743 FJWLPGKLMQBKES-QFBILLFUSA-N 409.452 3.556 0 50 HHAA Cc1ccc(Cc2ccccc2C(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc1F 1857717291 POXKEZDOOSEQDJ-ZJSXRUAMSA-N 408.517 3.660 0 50 HHAA C[C@@H](Nc1ccc(Oc2cnccn2)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 1875258701 MXLLZIMTRJPJSW-MRXNPFEDSA-N 417.469 3.835 0 50 HHAA COc1ccc(N2CCC[C@H](n3cc(-c4ccc(OC)c(Cl)c4)nn3)C2=O)cc1 2325873414 GLYOXKZFLHABBI-IBGZPJMESA-N 412.877 3.984 0 50 HHAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cc(-c3ccccc3Cl)oc2C)CC[C@@H]1O 2356161605 BHURGNMRYGHGEG-GHTZIAJQSA-N 405.878 3.986 0 50 HHAA O=C(c1cnc(Nc2ccccc2)nc1)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2ccccc2)C1 2356167148 UAQXJAYTNDJESO-QRJOEMBSSA-N 414.509 3.980 0 50 HHAA CCOC(=O)c1sc(NC(=O)COc2cccc(C)c2)c(C(=O)OCC)c1C 846877 CYDDUHBNQLMMFS-UHFFFAOYSA-N 405.472 3.736 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 1050720 BVMNHPQAYXOFLD-UHFFFAOYSA-N 415.493 3.910 0 50 HHAA O=C(COC(=O)c1cc(Br)ccc1O)c1ccc(Br)cc1 1213593 IRGYDALENODECZ-UHFFFAOYSA-N 414.049 3.957 0 50 HHAA COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 1530580 OGHNVEJMJSYVRP-QGZVFWFLSA-N 406.482 3.738 0 50 HHAA aggregator,biogenic,fda CCCCCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 1808806 GDAUIJNEVMRSNP-UHFFFAOYSA-N 420.966 3.808 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2sc(C)c(C)c2c1=O 2195566 PWODJIJFXOFLNR-UHFFFAOYSA-N 416.572 3.892 0 50 HHAA O=C(Cc1cccs1)Nc1ccc(C(=O)O)cc1NC(=O)Cc1cccs1 2812029 RMNISDFCAABIKU-UHFFFAOYSA-N 400.481 3.870 0 50 HHAA Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(N)c1 2836744 BMCWOBZTALNJAR-UHFFFAOYSA-N 407.421 3.814 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)sc(C)c1C 2840642 CKIPHOCQKHMSHW-CQSZACIVSA-N 416.499 3.542 0 50 HHAA CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)NC(C)(C)C)cc1 2856831 FGZLYHFSYGXHFK-UHFFFAOYSA-N 418.559 3.906 0 50 HHAA CCCOC[C@@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 3999392 SYFVSULCXIZWHH-RVHYNSKXSA-N 416.499 3.777 0 50 HHAA biogenic COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 4263993 OBJHPPHLKYUHND-UHFFFAOYSA-N 410.495 3.768 0 50 HHAA CC1(C)C[C@@H](NC(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CCO1 12056745 SSGNJGMGWQNMBU-OFVILXPXSA-N 408.542 3.885 0 50 HHAA Cc1ccoc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14538083 BIEOFGJPQQSHBL-OAQYLSRUSA-N 410.514 3.791 0 50 HHAA COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 143607412 DVRPZJPCGJGFTH-BHDDXSALSA-N 418.424 3.885 0 50 HHAA Cc1cc(F)cc2[nH]c(C(=O)NCc3ccc(C(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc12 170629545 SCDXQEOGJBXYSI-IYBDPMFKSA-N 423.488 3.795 0 50 HHAA COc1cc(OC)cc(Oc2ccc(CN[C@@H]3CCN(CC(F)(F)F)C3=O)cc2)c1 237359949 PGAVOGHVXVHVKS-LJQANCHMSA-N 424.419 3.749 0 50 HHAA O=C(COc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1)c1ccc(F)cc1 239308991 HCULVCZZLOBHCK-AEZRXPCCSA-N 417.436 3.645 0 50 HHAA COc1ccc(C[C@](C)(O)CNC(=O)c2ccc(-c3ccccc3)nc2C)cc1OC 461222965 ZHJPYGFETLLQCJ-VWLOTQADSA-N 420.509 3.798 0 50 HHAA O=S(=O)(c1ccccc1-c1ccccc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 497942664 BOCUNBUREDUMGY-SFHVURJKSA-N 408.527 3.917 0 50 HHAA O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1csc(NC2CC2)n1 769001269 MCZDJZNVTFUBRX-HNNXBMFYSA-N 405.829 3.551 0 50 HHAA C[C@H](CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)Oc1ccccc1 1318486953 LRIQCNBPWJUKSL-OAHLLOKOSA-N 405.479 3.620 0 50 HHAA COc1cc(OCc2ccccc2)ccc1CN1C[C@H](O)[C@H](Cc2cc(C)no2)C1 1529166954 BIJZBSKZBBIPCR-OFNKIYASSA-N 408.498 3.606 0 50 HHAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H]([C@H]2C[C@H](N)CCO2)C1 1775988868 NIULHAKXKZALOP-CGTJXYLNSA-N 403.523 3.616 0 50 HHAA CCCCc1ccc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cc1 1857732146 DXVXEYXPOXEMCD-FBLLAGFSSA-N 404.510 3.944 0 50 HHAA C[C@H]1CCc2c(sc(NC(=O)C[C@H]3CCC(=O)NC3)c2C(=O)c2ccco2)C1 2325875231 KQSXTOVVZGELRI-QWHCGFSZSA-N 400.500 3.552 0 50 HHAA Cc1cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc(C)c1Br 627881 FBBLRBHSNRAADV-UHFFFAOYSA-N 421.310 3.933 0 50 HHAA CCC1=NN(C(=O)c2cccc(C)c2O)[C@](O)(c2ccc(Br)cc2)C1 799717 LGYOCSHRHBHVNU-LJQANCHMSA-N 403.276 3.920 0 50 HHAA CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 2876249 OSRAUMOUIJJHGH-UHFFFAOYSA-N 420.556 3.601 0 50 HHAA CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 7381675 GGALXFHDQMEOLG-FQEVSTJZSA-N 407.445 3.947 0 50 HHAA C[C@@H](NC(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccccc1Cl 11999276 AKMQBXVSZPYVKR-CYBMUJFWSA-N 413.861 3.853 0 50 HHAA CN(Cc1ccn[nH]1)C(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 12217502 ASBLVQIFNHKBOG-RUZDIDTESA-N 416.525 3.707 0 50 HHAA COc1cc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C(=O)[C@]34CCCN24)ccc1O 12429803 UOXSWFLNWOGCLO-LLDIVWLWSA-N 408.498 3.581 0 50 HHAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2csc(C(C)=O)c2)CC1 12432946 SDXUSSIYJXKPSX-HXUWFJFHSA-N 405.608 3.543 0 50 HHAA COc1ccc(C(C)(C)NC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)cc1OC 12717966 WZKWOWKCMKQVMO-SFHVURJKSA-N 416.562 3.874 0 50 HHAA Cc1cc(C)n(-c2cccc(CN(C)c3nncc(-c4ccc5c(c4)OCO5)n3)c2)n1 12749173 LQKVUGUZJITLGB-UHFFFAOYSA-N 414.469 3.706 0 50 HHAA O[C@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccc(F)cc2)CC1 19731896 CJVDGQNXVPOXBG-QRUZDJRHSA-N 416.581 3.932 0 50 HHAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(Cl)cc4)ccn3n2)cc1C 169775954 KPWQBFSKKSKRPT-UHFFFAOYSA-N 420.900 3.863 0 50 HHAA CCCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OCC)C2)cc1OCC 170600825 LDXGKBHWMUBYFW-FUHWJXTLSA-N 406.523 3.861 0 50 HHAA O=C1OCCN1c1cccc(CNS(=O)(=O)c2ccccc2-c2ccccc2)c1 170627116 QTXXQQRGEIXXCE-UHFFFAOYSA-N 408.479 3.789 0 50 HHAA O=S(=O)(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cccc2ncccc12 225478496 JSUZXESKLFEPEM-UHFFFAOYSA-N 417.918 3.521 0 50 HHAA CC(C)Cc1nnc(NS(=O)(=O)c2cccc(Cl)c2Br)s1 225695847 UFLDWEGHTOVRRO-UHFFFAOYSA-N 410.746 3.953 0 50 HHAA O=C(O)Cc1csc(CCNC(=O)OCC2c3ccccc3-c3ccccc32)n1 380906751 GXIRZXZBHDXTLC-UHFFFAOYSA-N 408.479 3.851 0 50 HHAA O=C(NOC1CCC1)N1CC[C@@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952893632 NMNSWBDBIZAAOU-QGZVFWFLSA-N 414.359 3.575 0 50 HHAA COCCc1noc([C@H]2CCCN(C(=O)c3cc(C)nc4c(C)c(C)ccc34)C2)n1 952971247 GIMXTXUAZYGHRA-KRWDZBQOSA-N 408.502 3.752 0 50 HHAA CCOc1ccc(OCCN(C)S(=O)(=O)c2cc(-c3ccno3)sc2C)cc1 1506417911 PLCIGOWHZARCQA-UHFFFAOYSA-N 422.528 3.810 0 50 HHAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(-c2cc3ccccc3nc2OC)c1 1875248743 KWSFFAKWEAWEIN-HXUWFJFHSA-N 403.438 3.711 0 50 HHAA O=C(N1CCc2[nH]nc(C(F)(F)F)c2C1)C1(c2ccc(Br)cc2)CC1 1875252029 MBHNEWFUFVHDJH-UHFFFAOYSA-N 414.225 3.808 0 50 HHAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)C2(Nc3ccccc3)CCCC2)CC1 1940195013 IJBHCSUSTREGPB-UHFFFAOYSA-N 406.530 3.722 0 50 HHAA CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1cc(C(F)(F)F)ccc1Cl 912613 ZJVPHXFCFHHUOO-UHFFFAOYSA-N 412.861 3.527 0 50 HHAA CC(=O)Nc1cccc(C(=O)OCc2ccc(S(=O)(=O)Cc3ccccc3)cc2)c1 1124074 YZMUWIIOOHLMRQ-UHFFFAOYSA-N 423.490 3.976 0 50 HHAA CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2539220 VZXQYACYLGRQJU-IBGZPJMESA-N 411.454 3.710 0 50 HHAA biogenic CCCOC(=O)c1c(NC(=O)/C=C/c2cnn(CC)c2C)sc(C(=O)OC)c1C 2770459 BCKQYAWUPASRMO-CMDGGOBGSA-N 419.503 3.587 0 50 HHAA COc1ccc(Cl)cc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(C)cc1 2982852 IEXJZJVHPYOZOG-UHFFFAOYSA-N 424.950 3.625 0 50 HHAA Cc1cccc(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)c1C 2986532 CRRRDHPZJYOLCB-UHFFFAOYSA-N 422.550 3.858 0 50 HHAA COc1cccc([C@H]2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1OC(C)C 4488786 OLMLIRKVNQKLFO-CQSZACIVSA-N 401.459 3.982 0 50 HHAA CSc1nnc2c(n1)O[C@@H](c1ccncc1)Nc1ccc(Br)cc1-2 4631157 GMENRRQUQSJVCH-AWEZNQCLSA-N 402.277 3.921 0 50 HHAA O=C1N/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(Br)cc1 4702350 RKAKFSADZHVNRS-RIYZIHGNSA-N 407.651 3.901 0 50 HHAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)cc1OCC 4978039 XVJPZJSYAHWZTG-JOCHJYFZSA-N 423.513 3.818 0 50 HHAA O=C(NCc1ccccc1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 8589028 VMUVEZBJNYKIBX-UHFFFAOYSA-N 408.461 3.628 0 50 HHAA O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 11759174 KINCYSMPCMVWJM-RUZDIDTESA-N 420.484 3.638 0 50 HHAA C/C=C(\C)CN1CCN(c2cccc3c2C(=O)N(CCc2ccccc2F)C3=O)CC1 11840003 TWRSXHJWANSAKN-JFQJCAQQSA-N 421.516 3.753 0 50 HHAA CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)c2ccc(OC)o2)CC1 12314796 ADBPHAMZHVSXGN-UHFFFAOYSA-N 405.878 3.970 0 50 HHAA O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(n3ccsc3nc2=O)N1 12374454 NJTCJPWCMAMFSC-KRWDZBQOSA-N 421.453 3.948 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)cc1F 12582036 HWDHSUSQWKHDLR-MRXNPFEDSA-N 409.413 3.676 0 50 HHAA CCCOc1cccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c1 20068815 IZDLCKKATDSACO-UHFFFAOYSA-N 419.525 3.753 0 50 HHAA CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN1CCSCC1 20599523 NRTSQUTWTCSAHP-UHFFFAOYSA-N 414.556 3.721 0 50 HHAA COc1cc([C@@H](c2ccc(C(F)(F)F)cc2)N2CCNCC2)cc(OC)c1OC 22028466 ZDEIQJMNUOZCPA-LJQANCHMSA-N 410.436 3.726 0 50 HHAA OCC[C@H]1CN(Cc2ccc(CN3CCCC3)s2)CCN1CC1CCCCC1 23360732 JIWJEYNMJBXNEK-NRFANRHFSA-N 405.652 3.793 0 50 HHAA O=C(CN1Cc2ccccc2O[C@@H](c2ccsc2)C1)NCc1nc2ccccc2[nH]1 42925982 QCJUKXLMXNVHFH-OAQYLSRUSA-N 418.522 3.877 0 50 HHAA O=C(CC1CC1)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 77537670 IAOHWLZEKFIFPF-UHFFFAOYSA-N 410.539 3.513 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)cc2)c1 100694645 KNVNFLGDHMPQIF-OALUTQOASA-N 420.465 3.802 0 50 HHAA C[C@H](OC(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1)C(=O)c1ccccc1 100744640 DRCFSQJNAJGGFF-VAKZPMALSA-N 417.461 3.816 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(F)cc3)C2=O)cc1 136046587 AWYACEIVBOFBHB-FDFHNCONSA-N 418.424 3.885 0 50 HHAA CC[C@H](C(=O)NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1ccccc1 169781051 YJPMJFLDYYNJQT-FQEVSTJZSA-N 418.472 3.612 0 50 HHAA C[C@@H](CNC(=O)[C@H](C)Cc1cccc(F)c1)N(C)C(=O)[C@H](C)Cc1cccc(F)c1 225560143 MFRDBWRXVUABJC-KURKYZTESA-N 416.512 3.985 0 50 HHAA O=C([C@@H]1COc2cc(Cl)ccc2C1)N1CCC(n2c(O)nc3ccccc32)CC1 1875332349 XXXBSQUBLMNBCW-HNNXBMFYSA-N 411.889 3.810 0 50 HHAA Cc1nc(-c2ccc(C(=O)N(C)C[C@@H]3Cc4ccccc4CN3C)cc2)ccc1O 2356152120 AVFDMGDVZYZQTJ-QFIPXVFZSA-N 401.510 3.891 0 50 HHAA C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccccc2)n1 682241 TVXXZVQFTTYDBI-IAGOWNOFSA-N 405.454 3.894 0 50 HHAA O=C(NCc1cccnc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 721042 QOMQNMQKQZVIML-UHFFFAOYSA-N 403.389 3.802 0 50 HHAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1 1115360 KCVXXRPNGLEDCT-UHFFFAOYSA-N 408.951 3.785 0 50 HHAA COc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3cccs3)cc2C1=O 1162829 WMWXMZVGMMTPCX-UHFFFAOYSA-N 421.430 3.597 0 50 HHAA CCCC[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N)cc2O)cc1 5193330 VGUGNHBCNUJMCA-CQSZACIVSA-N 405.520 3.930 0 50 HHAA Cc1cc(=O)n([C@@H](C)C(=O)NCc2ccccc2)c2c1c(C)nn2-c1ccccc1 6916459 BXQKRECJNFVRNC-SFHVURJKSA-N 400.482 3.681 0 50 HHAA O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 8448196 LETMSSKQFGRAKI-XNOWSJKESA-N 423.468 3.575 0 50 HHAA O=C(NC[C@H]1OCCc2ccccc21)c1cc(COc2ccc3ncccc3c2)on1 11662905 NXHGPYNFSPWHHS-HSZRJFAPSA-N 415.449 3.846 0 50 HHAA Cc1n[nH]c(C)c1[C@H](C)N(C)Cc1cnc(S(=O)(=O)C(C)C)n1CCC(C)C 11664817 DOUYMZGWRRJCEX-KRWDZBQOSA-N 409.600 3.644 0 50 HHAA C/C=C(\C)C(=O)N1CCC([C@]2(CCC)NC(=O)N(CCc3cccs3)C2=O)CC1 11872860 AWLIOOHNTYXGFP-BPIVSWFSSA-N 417.575 3.586 0 50 HHAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCn2nc(C)cc2C)cc1 11873508 OOTMEMBMUIJPNJ-OAQYLSRUSA-N 421.545 3.914 0 50 HHAA COc1ccccc1-c1cc(C(=O)N(C)[C@@H](C)c2ccco2)cc(-n2cnnn2)c1 11882273 KCXWYIGNFVMNJQ-HNNXBMFYSA-N 403.442 3.764 0 50 HHAA c1ccc2[nH]c(CCNCc3cc4cc5c(cc4nc3N3CCCC3)OCO5)nc2c1 12078530 NZQYYWZFXVGSGO-UHFFFAOYSA-N 415.497 3.772 0 50 HHAA O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 12297075 YBBFFHORMTXIAG-UHFFFAOYSA-N 400.482 3.566 0 50 HHAA biogenic CCc1ccc(CN(C)Cc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)nc1 12318595 IALIRZZGQASOCF-DEOSSOPVSA-N 411.590 3.892 0 50 HHAA Cc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1 12386252 UJUYOGCZQSQKNJ-UHFFFAOYSA-N 408.458 3.603 0 50 HHAA C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)C[C@@H](C)O1 15415835 BVAZCHDMKYNAGC-IAGOWNOFSA-N 424.522 3.890 0 50 HHAA COc1cc(CNCCc2ccccc2F)ccc1OCC(=O)N1CCCCC1 19922759 WJARNXKZWMYCDQ-UHFFFAOYSA-N 400.494 3.558 0 50 HHAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 55211662 NVXULIZAJNTYBL-HXUWFJFHSA-N 413.949 3.775 0 50 HHAA O=C(c1cccc(OC2CCN(Cc3cccc4nonc34)CC2)c1)N1CCCC1 55359419 NFWFRXPYPWBDLF-UHFFFAOYSA-N 406.486 3.502 0 50 HHAA O=C1N(C2CCCCC2)C(c2ccccc2)=N[C@@]1(Nc1ncccn1)C(F)(F)F 64370012 IQMJCNQRAJWRLN-IBGZPJMESA-N 403.408 3.769 0 50 HHAA CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 239235562 WFWZUJHWDQHSNP-HSGJQSDISA-N 403.478 3.511 0 50 HHAA Cc1ccc2c(c1)N(C(=O)c1ccc3c(=O)n4c(nc3c1)CCCCC4)C[C@H](C)O2 477552305 KHRSGXBENWEAKK-INIZCTEOSA-N 403.482 3.859 0 50 HHAA Cc1ccc(C(=O)N2CCC(C(=O)N(C)Cc3cc(-c4ccccc4)n[nH]3)CC2)cc1 825168469 LEZDAGPTUVKREG-UHFFFAOYSA-N 416.525 3.896 0 50 HHAA CN1C(=O)C[C@@H](C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c2ccccc21 1320126945 GYBXQTYMUJBJPX-PKOBYXMFSA-N 421.545 3.709 0 50 HHAA CN(C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704298742 MSQQJJQPLJBMLS-HYVNUMGLSA-N 400.563 3.974 0 50 HHAA c1ccc(-c2nc(-c3nccn3C[C@H](c3ccccn3)N3CCOCC3)co2)cc1 1857694238 GWYILMGLUZGOCO-OAQYLSRUSA-N 401.470 3.674 0 50 HHAA Cc1cccc(CC2(NC(=O)[C@H]3CC(=O)N(c4nc5ccccc5s4)C3)CC2)c1 1857709873 WCXJGVLYGRGQKK-KRWDZBQOSA-N 405.523 3.849 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCSCC4)c3n2)cc1 845040 ZWNHOWSGVJTVMB-UHFFFAOYSA-N 422.432 3.613 0 50 HHAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 853929 HDWVVZKNCFAWCI-IFMALSPDSA-N 422.481 3.616 0 50 HHAA biogenic COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2Cl)c1 1177331 ZXIMPOONCHTJAP-SFHVURJKSA-N 417.918 3.789 0 50 HHAA C[C@@H](NC(=S)N1CCN(C(=O)c2ccco2)CC1)C12CC3CC(CC(C3)C1)C2 4993471 MJQWYJYQTKXFEN-NOCBQHASSA-N 401.576 3.517 0 50 HHAA CC(=O)c1cccc(OCc2cc(C(=O)N3CCC(N4CCCCC4)CC3)no2)c1 11661514 YNFDWAFAEHOCTE-UHFFFAOYSA-N 411.502 3.547 0 50 HHAA CCc1ccc(CN2CCC([C@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)o1 12158359 CNYIXIZYMBMPLT-VWLOTQADSA-N 421.541 3.532 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CCc2cnccn2)CC1 12463905 HTDCCEGNKLBTHC-UHFFFAOYSA-N 409.530 3.604 0 50 HHAA CC[C@H](COC)NC(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 12592139 QRAKJXUPNTYMHY-QGZVFWFLSA-N 404.551 3.636 0 50 HHAA O=C(C1=CCCC1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12597267 PWRYSUROUOUIMZ-RUZDIDTESA-N 408.586 3.984 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCC(C)CC1 14397984 FISWISSBOXETCC-UHFFFAOYSA-N 406.479 3.507 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 14956369 YSVJWOWDPPFSQZ-QHCPKHFHSA-N 410.470 3.835 0 50 HHAA CCCN1CCC(N2CCC[C@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 14973858 BWZKDSSDGKLBLY-XMMPIXPASA-N 402.579 3.975 0 50 HHAA O=C(NCCCn1ccnc1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 18209946 KOBSNTCMQVRZQT-DLBZAZTESA-N 418.423 3.560 0 50 HHAA C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CCc3ccccc3)n2CC1 19794994 WTXQTXFLCNYJEU-IBGZPJMESA-N 418.541 3.529 0 50 HHAA COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 19909297 DGSMYRCAOASHKC-HSZRJFAPSA-N 418.537 3.924 0 50 HHAA OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1CCCc1ccccc1 23375271 GWBFSEDNPRJLFB-DEOSSOPVSA-N 404.558 3.578 0 50 HHAA Fc1ccccc1Cc1noc(CN2CCN(c3nc4ccccc4s3)CC2)n1 55211132 RRVLGZYSGNVCCU-UHFFFAOYSA-N 409.490 3.731 0 50 HHAA C[C@@H]1CCc2nc3sc4c(c3c(C(F)(F)F)c2C1)NC(=O)[C@@H]1CCCN1C4=O 65363264 SITCJWNNOTZCNP-KCJUWKMLSA-N 409.433 3.997 0 50 HHAA COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)c2)c1 101876004 KQDZIQOOXXYAJF-NOOVBMIQSA-N 402.450 3.649 0 50 HHAA O=C(c1ccc(Cl)cc1)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101951943 MXSYTYSCPQSEAH-IQGAEYHTSA-N 424.859 3.844 0 50 HHAA O=C1[C@@H]2[C@@H](ON(c3ccc(Cl)cc3)[C@H]2c2ccco2)C(=O)N1Cc1ccccc1 136457636 GKHNZKLMLAWTOH-SLFFLAALSA-N 408.841 3.980 0 50 HHAA CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 225518511 OIODSLKRWDJSGG-OAQYLSRUSA-N 409.530 3.597 0 50 HHAA C[C@@H](CC(=O)N1CCCc2cc(Br)ccc21)NC(=O)c1ccccc1 242106193 WHTOZDQJMABGFN-AWEZNQCLSA-N 401.304 3.937 0 50 HHAA COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cnc(SC)n2-c2ccccc2)C1 328592622 PYFJULXEDGZIDO-HSZRJFAPSA-N 421.522 3.551 0 50 HHAA CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(Cc3ccc(CC)cc3)C2)c1 952973015 XERGLTRNXZIHCV-IBGZPJMESA-N 407.514 3.893 0 50 HHAA Cc1cnccc1N1CCCN(C(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)CC1 952976843 HLYMDORCNGVLSP-GOSISDBHSA-N 414.509 3.631 0 50 HHAA COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C(F)(F)F)nc1 1473770297 ZPTRFHFJVFXSDB-VXGBXAGGSA-N 424.423 3.745 0 50 HHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1 1506397448 TWKDBQIRPGPANG-QGZVFWFLSA-N 401.894 3.905 0 50 HHAA C[C@@H]1CN2C[C@H](NC(=O)c3cc(-c4ccco4)nc4c(Cl)cccc34)C[C@H]2CO1 1875241076 OEPAOLNUZUXEHY-KFWWJZLASA-N 411.889 3.740 0 50 HHAA CC(C)CCN1CCN(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 1875260097 HDQJKEGRVCJYND-UHFFFAOYSA-N 407.558 3.910 0 50 HHAA COc1ncc(-c2nc([C@H](OC)C3CC3)nn2[C@@H]2CCc3c(F)cccc32)nc1C 2325872899 RCGIYTKHDFYOJQ-RTBURBONSA-N 409.465 3.824 0 50 HHAA O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12 538557 BCSVCWVQNOXFGL-UHFFFAOYSA-N 419.384 3.700 0 50 HHAA in-man Fc1ccc(Nc2nc(Nc3ccc(F)cc3F)nc(N3CCOCC3)n2)cc1 693542 WNDVKPDDZQAJFN-UHFFFAOYSA-N 402.380 3.613 0 50 HHAA CCc1cc(I)ccc1NC(=O)COc1ccc(OC)cc1 725033 VMZXLAOKYOIUCM-UHFFFAOYSA-N 411.239 3.880 0 50 HHAA Cc1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCCC1 1136359 UQTKFMALJAXJMH-UHFFFAOYSA-N 417.483 3.508 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 1212552 KRYGXWQFVLVZBQ-ZDUSSCGKSA-N 424.810 3.977 0 50 HHAA O=C1Nc2ccc(Br)cc2/C1=C1/SC(=O)N(c2ccc(O)cc2)C1=O 2283387 FIUOTBNYNWBMGX-YPKPFQOOSA-N 417.240 3.718 0 50 HHAA CCc1c(C)sc(NC(=O)c2c(Cl)cnn2C)c1C(=O)NCc1cccnc1 6394567 WVKWZXCXURXJDW-UHFFFAOYSA-N 417.922 3.583 0 50 HHAA COc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)cc1OC 8587953 GLWYNKPKCCOCFK-OAQYLSRUSA-N 403.482 3.633 0 50 HHAA COc1cc(C)ccc1OCc1nc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)co1 11843350 KOGFAQDQVGYEIS-QGZVFWFLSA-N 408.454 3.646 0 50 HHAA CCOC(=O)C[C@@H]1CCCCN1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C 12457466 DHFDKUAEXIXZER-SFHVURJKSA-N 400.475 3.744 0 50 HHAA COc1ccc(C(=O)NC2CC2)c(OC2CCN([C@@H](C)COc3ccccc3)CC2)c1 12713653 QOUIUFUYPGCIHP-SFHVURJKSA-N 424.541 3.898 0 50 HHAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc(Cl)cc1 15068416 QJTZZIJFJZKXIK-JOCHJYFZSA-N 422.013 3.625 0 50 HHAA C=CCC1(CC=C)CCCCN1C(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1 20534225 QDSPNAKJLCRYIL-UQNNOOFXSA-N 421.585 3.794 0 50 HHAA CCNC(=O)[C@@H]1C[C@@H](NC2Cc3ccccc3C2)CN1Cc1ccc2ccccc2c1 20601512 JCPLFIVQBSMYRP-FTJBHMTQSA-N 413.565 3.676 0 50 HHAA CCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1 225542749 DYJLZRAZNBSNKR-UHFFFAOYSA-N 408.951 3.866 0 50 HHAA C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@@H](N4CCCC4)C3)cc2F)C[C@@H](C)O1 229828373 WQTKMQITCGZKGF-ZHALLVOQSA-N 404.530 3.531 0 50 HHAA COc1ccc([C@H](CC(=O)Nc2cccc(F)c2)c2c(O)cc(C)oc2=O)cc1O 253471523 URJPQDLQUQBJLY-INIZCTEOSA-N 413.401 3.668 0 50 HHAA Cc1nc(C)c(-c2csc(NC(=O)C(=O)N3CCC[C@@H]3c3ccncc3)n2)s1 328596681 OTMQDBIUXOOWSF-OAHLLOKOSA-N 413.528 3.581 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)c3cnn(C(C)C)c3n2)cc1 443001357 OZOCLAZNNYNTLK-NGAGVGIASA-N 416.525 3.829 0 50 HHAA CCN1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)C(C)(C)C1=O 491501227 VANPXNNIEFXOMK-UHFFFAOYSA-N 423.300 3.659 0 50 HHAA Cc1cc(Br)cc2[nH]c(C(=O)N3CSC[C@@H]3C(=O)N(C)C(C)C)cc12 1875335041 QHQLNWLSVQQZNY-MRXNPFEDSA-N 424.364 3.621 0 50 HHAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)c(F)c1 1066446 UKNJUQRJAGIJAQ-UHFFFAOYSA-N 420.412 3.938 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc2ccccc12 1114991 WUTGPSRADSCDFC-UHFFFAOYSA-N 404.451 3.683 0 50 HHAA O=C(c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N1CCOCC1 1178855 YCGAYXDTUJYZAH-UHFFFAOYSA-N 412.287 3.774 0 50 HHAA CCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 1825453 GQPJESXFGYFDMC-UHFFFAOYSA-N 410.902 3.698 0 50 HHAA Cc1cc(C)n(Cc2ccc(NC(=O)c3nn(C)c(C)c3Br)cc2)n1 2758614 LVQFAHMBIXIOJR-UHFFFAOYSA-N 402.296 3.605 0 50 HHAA COc1ccc2oc(-c3cc(Br)cc4c3OCOC4)c(O)c(=O)c2c1 4819974 WKAZFBCTBYMFMM-UHFFFAOYSA-N 405.200 3.803 0 50 HHAA COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CCN(C)CC3)n2)cc1OC 5617929 RLJKKRJZWXHXBG-UHFFFAOYSA-N 404.514 3.888 0 50 HHAA COc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)N1CCCCC1 9063755 VXKBEIONCRPREA-UHFFFAOYSA-N 402.516 3.739 0 50 HHAA CC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2cccn2-c2cccnc2)CC1 11822078 NLZONAITWZOBEJ-UHFFFAOYSA-N 406.534 3.891 0 50 HHAA COc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)c3ccccc3OC)C2)cc1OC 11878799 YSBNVTUVEHSZIV-YLZCUGDYSA-N 409.482 3.847 0 50 HHAA COc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)c4ccc(C)cc4)CC[C@@H]32)cc1 12191410 VWBCBMPUSXWKBP-GGAORHGYSA-N 406.526 3.699 0 50 HHAA O=C(Cc1cccc(C(F)(F)F)c1)N1C[C@@H]2C[C@H]1C(=O)N2c1ccccc1Cl 12217370 OOGZZMYHEHRBEA-YOEHRIQHSA-N 408.807 3.918 0 50 HHAA CSCc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)o1 12320569 FUHPOASCSDVPQA-LJQANCHMSA-N 413.587 3.878 0 50 HHAA Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc2c(=O)[nH]cnc2n1C 12372645 DZFXNMIAVKJPLY-UHFFFAOYSA-N 411.487 3.700 0 50 HHAA biogenic,in-vitro CCCNC(=O)c1cc(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c2ccccc12 12411135 YIXRHBYCKPTWOT-UHFFFAOYSA-N 405.498 3.705 0 50 HHAA biogenic,in-vitro CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sccc2C(=O)NCc2ccco2)C1 17082399 JUZAYHZVIIUIAT-JKSUJKDBSA-N 402.472 3.657 0 50 HHAA OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCN1CC1CCCCC1 22914165 JDPCVOADEQOCBH-JOCHJYFZSA-N 400.542 3.665 0 50 HHAA CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)CN2CCc3ccccc3C2)C1 39364271 SYQRIQYJBZINKB-HXUWFJFHSA-N 408.567 3.888 0 50 HHAA Cc1cc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCOC2)c(C)n1-n1cnnc1 65374402 ZYXGBUQMGZUDBG-IBGZPJMESA-N 402.502 3.965 0 50 HHAA COc1cccc(C(=O)COc2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@@H]4C3=O)c2)c1 101881811 FLWLHMPISASJLV-MWHIGSEQSA-N 417.461 3.659 0 50 HHAA CCN(C)Cc1cccc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1 109346448 YQZTZUGHNBPVCZ-UHFFFAOYSA-N 410.493 3.967 0 50 HHAA O=C(Nc1ccc(Br)c(Cl)c1Cl)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239184772 QXSWRHUFVJWLPM-SAQGOSJPSA-N 405.075 3.892 0 50 HHAA COc1cccc(CN2CCOc3ccc([C@@H](O)c4ccncc4)cc3C2)c1OC 299766513 DRVBPGFJGKYJAK-QHCPKHFHSA-N 406.482 3.575 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N(C)[C@H](C)c3ccon3)csc2C1 426399142 BKGURDDLEIWJAI-CYBMUJFWSA-N 400.504 3.732 0 50 HHAA CC1CCC(OCC(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)CC1 476093004 ZFIJBGPVIXBOAT-UHFFFAOYSA-N 418.969 3.617 0 50 HHAA COc1cc(C)c(CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C2CCCCC2)cc1C 952860367 NLKIKODIDICEPM-GOSISDBHSA-N 401.551 3.764 0 50 HHAA Cc1ccc(S(=O)(=O)C2CCN(C(=O)[C@H](C)CSC(F)(F)F)CC2)cc1 1303301516 YXXMOPJDOYOUAQ-CYBMUJFWSA-N 409.495 3.649 0 50 HHAA COc1cccc(NC(=O)N2CCCN(C(=O)CCCc3cccs3)CC2)c1 1775982649 NCOJXUWTACHTCA-UHFFFAOYSA-N 401.532 3.846 0 50 HHAA O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Cc2ccncc2)cc1 1875257269 LHLCKYBWWXRRLE-UHFFFAOYSA-N 401.495 3.984 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)OC(C)(C)C)cc1 1875373414 AGAORIAUZHHTHS-JOCHJYFZSA-N 420.509 3.917 0 50 HHAA O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)c1cccc(-c2ccccc2)n1 1875378780 DQCSTSVKVCAVAF-LJQANCHMSA-N 422.282 3.656 0 50 HHAA O=C(N1CCCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1)C12CC(C(F)(F)F)(C1)C2 2325738855 KOLQDWWIZNSEHT-UHFFFAOYSA-N 424.385 3.513 0 50 HHAA Nc1c(Br)cc(Br)c(N2CCCC2=O)c1Br 629380 UQUMUDNLBDKRLT-UHFFFAOYSA-N 412.907 3.683 0 50 HHAA CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N2CCCCC2)cc1 637642 CQDNISFENWMWLC-UHFFFAOYSA-N 406.935 3.932 0 50 HHAA COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 1075425 UNRJFDBJZFWLMY-UHFFFAOYSA-N 424.478 3.835 0 50 HHAA CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CCOC)cc1 2838077 QDBROTMZLVGZDQ-UHFFFAOYSA-N 412.515 3.721 0 50 HHAA CCCC[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)O 2999490 MIFKRJOXBSFIMR-SFHVURJKSA-N 424.526 3.786 0 50 HHAA biogenic,in-vitro CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2Br)C1 5714992 JPTRSILQIARTDQ-CQSZACIVSA-N 413.356 3.547 0 50 HHAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)CC3=CCCCC3)C2)c1 11878621 UGGNLCWENYMPQN-GOSISDBHSA-N 400.519 3.563 0 50 HHAA O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3c[nH]nc3-c3ccccc3)N3CCC[C@@]123 11935121 KUVUSWFVYWBBTO-DDZLNHKNSA-N 424.548 3.982 0 50 HHAA COc1ccc(/C=C/C(=O)NC[C@H]2Cc3cc(Cl)cc(-c4cnccn4)c3O2)cc1 11972987 GNRKZALUAJHDBL-ZLHKHBAESA-N 421.884 3.939 0 50 HHAA CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2cccc(F)c2)cc1 12076203 XJIXUZMUXVQFHE-XMMPIXPASA-N 408.517 3.987 0 50 HHAA COC(=O)c1ccccc1C(=O)N(C)CC1CCN(CCc2cccc(F)c2)CC1 12112288 XDOHIBFCJHJOBR-UHFFFAOYSA-N 412.505 3.639 0 50 HHAA O=C(CC[C@@H]1CCCN(C(=O)Cc2cccc(F)c2F)C1)NCc1ccccc1F 12203431 MFFBAXQMKRYZLJ-INIZCTEOSA-N 418.459 3.982 0 50 HHAA CC[C@H]1c2cccn2CCN1C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 12299630 FEXPGOVFWVAGLU-KRWDZBQOSA-N 403.408 3.754 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 12835692 HSQGKPYXOPXVQW-OAQYLSRUSA-N 405.546 3.985 0 50 HHAA O=C(NCc1ccsc1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O 14952102 YDFAOWGPFCKYTI-UHFFFAOYSA-N 413.543 3.581 0 50 HHAA CCN(C[C@@H]1CCCO1)C(=O)c1cc(COc2ccc3sc(C)nc3c2)on1 14980769 VFPNMGVBEZBISK-HNNXBMFYSA-N 401.488 3.813 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(CCCC(F)(F)F)C3)C2=O)c1 15062352 MALQABHXHQJKDJ-IBGZPJMESA-N 402.432 3.991 0 50 HHAA C[C@H](NC1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(-c2ccncc2)cc1 170615987 QHXMOCUGTAFEAE-KRWDZBQOSA-N 413.529 3.745 0 50 HHAA O=C(Nc1cc(-c2ccncc2)n[nH]1)c1cccc(-c2noc(C(F)(F)F)n2)c1 225705575 HVIMWKWDOIGEPX-UHFFFAOYSA-N 400.320 3.793 0 50 HHAA CCOc1ccccc1-c1noc(CN2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)n1 240934413 JBYNMQRWNBWKCN-CVEARBPZSA-N 416.522 3.870 0 50 HHAA COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@@H]4C2=O)cc1 252431009 YAXYMLFAVUYGLE-NMOFPLQQSA-N 418.493 3.744 0 50 HHAA Cc1cnccc1N1CCCN(C(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)CC1 299769341 WTIOPDIXFZMFKE-QTJGBDASSA-N 404.558 3.654 0 50 HHAA Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 409413301 JTLPAQMATCDEIG-PXNSSMCTSA-N 400.954 3.962 0 50 HHAA CC1(C)CN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)C[C@@]2(CCOC2)O1 481072440 NQUYDTWSYPANSA-LJQANCHMSA-N 404.923 3.886 0 50 HHAA C[C@@H](Cn1cccn1)C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 827628008 JFZOAOKZOQJORL-FQEVSTJZSA-N 403.526 3.694 0 50 HHAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NC1CCN(CCc4ccccc4)CC1)(C3)C2 1506398425 MWPKQOSPNXBPCI-GGLXGSTNSA-N 410.602 3.921 0 50 HHAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C1)CC2 1704298093 FMSXOELWOKBKTQ-QFIPXVFZSA-N 409.921 3.798 0 50 HHAA O=C(O)c1cccnc1N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1875240825 GXBATYVMZQIBNI-LEWJYISDSA-N 404.422 3.828 0 50 HHAA Cc1csc([C@H](C)N2CCN(C(=O)c3ccc(OCc4cccnc4)cc3)CC2)n1 1875263135 CMOZZQLRHSEODX-SFHVURJKSA-N 422.554 3.945 0 50 HHAA CC(C)C1(C)CCN(c2nnc([C@@H](C)S(C)(=O)=O)n2Cc2ccccc2)CC1 2325840192 SVTBHHXLYLOJPG-QGZVFWFLSA-N 404.580 3.695 0 50 HHAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCC2(CC1)OCCc1sccc12 2356142738 FNBWKSNGMHQHLV-UHFFFAOYSA-N 406.511 3.986 0 50 HHAA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Br)NC(=O)N1 755232 YNLIPMRVMYIDHM-KRWDZBQOSA-N 401.260 3.820 0 50 HHAA O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccc(-n2cccc2)c1 1118520 XAGOJHXKVHUFEK-FQEVSTJZSA-N 411.255 3.653 0 50 HHAA COc1ccc(NC(=S)N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 3130670 DNPSCWWNVBZSJL-CYBMUJFWSA-N 412.770 3.840 0 50 HHAA Cc1cccc(Cl)c1OCc1ccc(C(=O)N2N=CC[C@@]2(O)C(F)(F)F)o1 6924892 ZGJKXOIBVPCSJO-MRXNPFEDSA-N 402.756 3.903 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccc(C)c(F)c4)CC3)nn2)nc1 72139288 MPVOVVYUIFCQHE-UHFFFAOYSA-N 421.480 3.725 0 50 HHAA CC1=C(C)C[C@H](C(=O)Nc2sccc2C(=O)NCc2ccco2)[C@@H](C(=O)O)C1 17082397 JUZAYHZVIIUIAT-HOTGVXAUSA-N 402.472 3.657 0 50 HHAA CCn1nccc1CN(C)C(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 20602575 AORJZVXEDCGSBL-UHFFFAOYSA-N 420.439 3.511 0 50 HHAA Cc1cccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)CC2)c1 239338806 LGRAPDBAHASXHP-VZIOKQEQSA-N 404.510 3.545 0 50 HHAA C[C@@H](CCN(C)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@]12C 253609937 HBDQZJAFAVGPSS-PVQHALSMSA-N 407.639 3.536 0 50 HHAA CCc1nn2c(c1C(=O)NCc1ccc(OC)cc1OC)N[C@H](c1ccccc1)C2 263616914 LEPCWTIORBHLDQ-IBGZPJMESA-N 406.486 3.560 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@H](OCc2ccccn2)C1 952975174 YLXAKOPZWPZDHL-QFIPXVFZSA-N 404.514 3.634 0 50 HHAA CCCCN(Cc1ccccc1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C)C1=O 12038328 OCPPYAAIBPACNB-DEOSSOPVSA-N 410.489 3.671 0 50 HHAA CSCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 12745479 DRZYWKCEOKBNLR-LJQANCHMSA-N 400.548 3.562 0 50 HHAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C/C=C/c3ccccc3OC)C2)c1 14953527 YRHMMHDZALZIJI-VQFGERMISA-N 424.541 3.868 0 50 HHAA CCOCCCNC(=O)c1ccc(OC2CCN(C3CCCC3)CC2)c(OC)c1 14980622 NJVRCXGCAWHGLG-UHFFFAOYSA-N 404.551 3.637 0 50 HHAA COC(=O)C1(C(=O)OC)[C@H](/C=C/c2ccc(OC)cc2)[C@@]1(C)C(=O)c1ccc(C)cc1 4653534 JXEXCTWSULYEKG-SNPLVMSSSA-N 422.477 3.868 0 50 HHAA CC(C)N=c1[nH]c(-c2ccccc2)nc2c1CCC21CCN(c2cnccn2)CC1 1857690465 DQZWQECXFQNMSY-UHFFFAOYSA-N 400.530 3.660 0 50 HHAA O=C(N[C@@H]1CCCN(c2ccc(F)cc2F)C1=O)c1c2c(nc3ccccc13)CCC2 1875331182 TVMVGQHEYUCFLF-HXUWFJFHSA-N 421.447 3.927 0 50 HHAA CC(C)(C)SCC(=O)NC1(CNC(=O)[C@H]2Cc3ccccc3S2)CCCC1 1875345543 BBCSLCBJQVOLHY-QGZVFWFLSA-N 406.617 3.780 0 50 HHAA CCC(C)(C)C1CCC(NC(=O)[C@H](Cc2ccc3c(c2)OCO3)NC(C)=O)CC1 2325702137 HLSSDTXHSGTZAS-ACBHZAAOSA-N 402.535 3.574 0 50 HHAA COc1cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc(OC)c1OC 643416 YTGBEQXRJJEIIM-UHFFFAOYSA-N 420.465 3.895 0 50 HHAA biogenic,in-vitro COc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 842984 GGXDKOBUZLAILT-UHFFFAOYSA-N 424.522 3.833 0 50 HHAA O=C(O)c1ccccc1C(=O)Nc1ccccc1NC(=O)c1ccccc1C(=O)O 4178076 DKCKVYZVRRUUQF-UHFFFAOYSA-N 404.378 3.588 0 50 HHAA CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C1=O 4845711 OJYXUZGMWZBEBE-RAOBZKRQSA-N 413.499 3.531 0 50 HHAA COc1cc(-c2ccc(C)cc2)cc2c1OCCN(C(=O)CCn1ccc(C)n1)C2 11995942 SAEXJQMYTGBEJE-UHFFFAOYSA-N 405.498 3.987 0 50 HHAA CC[C@H](C)c1nc([C@H](C)NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)n[nH]1 481130324 ZDNQVTYBZJBKKH-UWVGGRQHSA-N 408.293 3.697 0 50 HHAA Cn1c(O)nc2ccc(NC(=O)c3cnn(-c4ccccc4F)c3-n3cccc3)cc21 443175298 RRZAXQBDSLRBME-UHFFFAOYSA-N 416.416 3.647 0 50 HHAA CC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)[C@@H](c1ccsc1)CC(=O)O3 253396071 AUCUQGOHACGXKV-MRXNPFEDSA-N 411.479 3.535 0 50 HHAA biogenic Cc1nc(O)nc(O)c1CC(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1446982780 AEZRVXBNNHQWOA-GDBMZVCRSA-N 409.408 3.552 0 50 HHAA O=C(OCc1csc(-c2ccccn2)n1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 779103933 ZATQXRMSTAXHIT-JTQLQIEISA-N 408.405 3.795 0 50 HHAA CN(C[C@H]1CCCCO1)C(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 11881827 GFWDCEIWIMWELA-RCZVLFRGSA-N 408.542 3.839 0 50 HHAA CCCC[C@H]1CN(CCNC(=O)CCc2c(C)nn(C)c2C)Cc2ccccc2O1 12148983 QWCRRBFJDMFHTA-NRFANRHFSA-N 412.578 3.539 0 50 HHAA O=C(CCc1nnc(CCc2ccccc2)o1)N1CCC(CN2CCCCC2)CC1 12303805 LXKXYYPWVXFLGJ-UHFFFAOYSA-N 410.562 3.512 0 50 HHAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3cnn(C)c3)C2)cc1 12465507 SHXZBFQZOYUPKN-HXUWFJFHSA-N 404.514 3.946 0 50 HHAA CC[C@H](O)C1CCN(C(=O)c2cc(COc3ccc(OC)cc3Cl)on2)CC1 12584395 GHEAEOQRFAFQHT-SFHVURJKSA-N 408.882 3.539 0 50 HHAA CSc1ncccc1C(=O)N(C)CC1CCN(CCc2ccccc2F)CC1 12593916 YCJJWPAOVWJLSV-UHFFFAOYSA-N 401.551 3.969 0 50 HHAA COc1ccccc1CN1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857741490 VKYFDAIAXJKRIL-DEOSSOPVSA-N 402.498 3.733 0 50 HHAA O=C(N[C@H]1CCCC12CN(c1nc(-c3cccnc3)nc3ccccc13)C2)C1=CCC1 1875359260 ZKYUADKEGCERIZ-NRFANRHFSA-N 411.509 3.887 0 50 HHAA COc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 972258 KJVOAKALBYIADX-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA CCOCCOC(=O)c1ccc(NC(=O)COc2cccc(Br)c2)cc1 1745391 AKARUEBNRSSNSE-UHFFFAOYSA-N 422.275 3.660 0 50 HHAA O=S(=O)(NC[C@@H](c1ccccc1)n1cc(-c2ccccc2)nn1)c1ccccc1 4807615 RCEIGDQYFHPNKU-QFIPXVFZSA-N 404.495 3.513 0 50 HHAA O=C(c1cccc(COc2ccc(Br)cc2)c1)N1CCN2CCC[C@@H]2C1 6057735 IFIFQGABMMIPOV-LJQANCHMSA-N 415.331 3.948 0 50 HHAA CCn1cc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(C)n1 11818391 LBIXNSAMWTVEQR-UHFFFAOYSA-N 410.497 3.636 0 50 HHAA CCCCN(C)C(=O)c1nc2ccccn2c1CNCCCn1ncc2ccccc21 11819763 OILXVQRPYDFDGQ-UHFFFAOYSA-N 418.545 3.736 0 50 HHAA COc1cccc(CC2=NO[C@@H](C(=O)N[C@H](c3ccncc3)c3ccccc3C)C2)c1 11881097 XIRBENFLBKLULF-DNQXCXABSA-N 415.493 3.992 0 50 HHAA COCCc1nc2ccc(C(=O)N3CCC[C@H](COc4cccc(OC)c4)C3)cc2o1 12194064 HIUZNWUNBHFXDH-KRWDZBQOSA-N 424.497 3.957 0 50 HHAA O=C(N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)C1(N2CCCC2)CCCC1 12387675 ZPQVSJOYNOMZIT-QGZVFWFLSA-N 410.484 3.594 0 50 HHAA Cc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)c2c(-c3ccccc3)noc2n1 13641692 SFJBTFLZXDMLHC-UHFFFAOYSA-N 413.481 3.551 0 50 HHAA O=C(NCC(F)(F)F)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 15067057 MCAFTLNLQKDKMP-OAHLLOKOSA-N 404.436 3.527 0 50 HHAA Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1C 20109751 AQCNMYZJMOSNAP-OAHLLOKOSA-N 406.404 3.746 0 50 HHAA CCOc1ccccc1NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)CC1 23095841 YHDPLNBPKWCSKA-UHFFFAOYSA-N 405.901 3.634 0 50 HHAA C[C@H](CCCC(C)(C)O)NC(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 39552682 MBRASKNPMGVTRF-GOSISDBHSA-N 406.530 3.975 0 50 HHAA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cc1 72446670 IGEMVPOSHJHXQS-UHFFFAOYSA-N 407.562 3.727 0 50 HHAA CC(=O)Nc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)cc1 169755701 MODIEFIEPSORNU-IBGZPJMESA-N 423.904 3.697 0 50 HHAA Cc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc6c(c5)OCO6)no4)c3CO2)c(C)c1 169758496 HBAOZQAYNFREII-LJQANCHMSA-N 417.425 3.612 0 50 HHAA CC(C)c1noc(-c2cccn3c(CNC(=O)c4c(F)cccc4Cl)nnc23)n1 169775914 MTQDUHNDLXICKB-UHFFFAOYSA-N 414.828 3.625 0 50 HHAA C[C@H]1CN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C[C@@H](C)O1 195531409 KCGBMBLVHXJRCV-GQIGUUNPSA-N 400.906 3.837 0 50 HHAA CN(C)CCN(Cc1ccccn1)C(=O)N(C)c1ccc(Br)cc1F 225645122 OLQVYEMYBHTMRY-UHFFFAOYSA-N 409.303 3.603 0 50 HHAA O=S(=O)(Nc1nccc(Oc2ccccc2)n1)c1ccc(F)cc1Br 225743467 ISWNTZIGTUUBNH-UHFFFAOYSA-N 424.251 3.971 0 50 HHAA CCOc1ccc(C2(CNc3ccc4nnc(C(F)(F)F)n4n3)CCOCC2)cc1 301112366 TXNGBZFIIDHDFM-UHFFFAOYSA-N 421.423 3.702 0 50 HHAA O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cnn(-c2cccnc2)c1 476781961 UKQVHORHBTWQQX-INIZCTEOSA-N 416.312 3.973 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cc1 1467861678 UGDICBWWHPOYHC-GOSISDBHSA-N 401.507 3.721 0 50 HHAA CCOC(=O)C1CCN(C(=O)c2ccc(NCc3ccnc4[nH]ccc34)cc2)CC1 2325748166 XWEPQNPDCMKVLL-UHFFFAOYSA-N 406.486 3.590 0 50 HHAA C[C@@H](OC(=O)c1ccc(-c2ccccc2Br)n1C)[C@@H]1CCNC(=O)C1 2325826671 JEJPJIOIJHDZLQ-CHWSQXEVSA-N 405.292 3.526 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2sc(C)c(C)c2c1=O 976454 VYFPVXKLDQVIFD-UHFFFAOYSA-N 403.529 3.834 0 50 HHAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Cl)ccc1OCc1ccccc1 1006749 BQJYYDDCDXEMSA-GOSISDBHSA-N 402.903 3.885 0 50 HHAA C[C@H](Sc1nc(=O)c(-c2ccccc2)c(O)[nH]1)C(=O)Nc1cccc(Cl)c1 2751193 SJOGSWGZYKLLLR-NSHDSACASA-N 401.875 3.915 0 50 HHAA COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3598394 NLVUAKXSYGLLMM-UHFFFAOYSA-N 408.907 3.776 0 50 HHAA O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCCCC1 4866847 AWVQGXCRCZWZNC-UHFFFAOYSA-N 410.898 3.687 0 50 HHAA O=C(NCCCn1ccnc1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 33927500 UIGBWXQTYVCZJA-HMMYKYKNSA-N 408.889 3.514 0 50 HHAA O=C(Nc1c[nH]nc1-c1nccs1)c1ccc(=O)n(Cc2ccccc2Cl)c1 446590238 CKHOSCPWJVTPGB-UHFFFAOYSA-N 411.874 3.649 0 50 HHAA O=C(c1ccc(F)cc1F)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95505303 LUZVIQBUAMNRFG-ZLGUVYLKSA-N 404.407 3.945 0 50 HHAA CC(C)N1C[C@H](NCc2ccccc2Cl)C[C@H]1C(=O)NCCc1ccccc1F 32541121 BUXWZGMQFDVHAB-KNQAVFIVSA-N 417.956 3.779 0 50 HHAA O=C(NC1CC1)c1cc(NC[C@@H](c2ccccc2)N2CCOCC2)nc2ccccc12 301075840 NIZOLLSWUWZXCG-QHCPKHFHSA-N 416.525 3.612 0 50 HHAA COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1Cl 5237879 NOGBSVNIWUXULC-UHFFFAOYSA-N 401.875 3.830 0 50 HHAA Cc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3c(C)nc4sccn34)C2)o1 11819162 BFALRJVMXYFOJJ-KRWDZBQOSA-N 400.548 3.914 0 50 HHAA O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1cc(COc2c(F)cccc2F)on1 12430940 RYZONVZBUICBQQ-INIZCTEOSA-N 413.302 3.960 0 50 HHAA O=C1CCCN1CCCC(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1 12705657 LYVUNAITRSPWDV-UHFFFAOYSA-N 403.482 3.782 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 12835694 HSQGKPYXOPXVQW-NRFANRHFSA-N 405.546 3.985 0 50 HHAA C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)C[S@@]3=O)[C@@H]1C 169302220 WQUZYPVODOEGGI-OJANXEHISA-N 424.566 3.896 0 50 HHAA O=C([C@@H]1CCCN1)N1CCC2(CC1)OCCc1cc(-c3ncccc3Cl)sc12 1857736139 MPYXUNWKQCPBHI-INIZCTEOSA-N 417.962 3.606 0 50 HHAA Cc1cc(C)n(-c2cncc(N[C@@H](c3ccc(Br)cc3)[C@@H](C)CO)n2)n1 225606445 ZGIJNPODXVHUCP-HXPMCKFVSA-N 416.323 3.823 0 50 HHAA COCCc1nsc(N2CCC(c3nccc(-c4ccccc4OC)n3)CC2)n1 952894817 UCOHWZXWFDGUSV-UHFFFAOYSA-N 411.531 3.577 0 50 HHAA Cc1nsc2ncc(C(=O)N3CCC[C@@H]3COC(=O)NC3CCCCC3)cc12 1875257038 IHJHUAFXTUVSIX-MRXNPFEDSA-N 402.520 3.663 0 50 HHAA C[C@@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)[C@H]1COc2ccccc21 1875357129 ZLRSVWXNZIKHEH-QFWMQHCXSA-N 416.521 3.816 0 50 HHAA C[C@@H]1CCc2c(sc(NC(=O)C[C@@H]3CCC(=O)NC3)c2C(=O)c2ccco2)C1 2325875230 KQSXTOVVZGELRI-OLZOCXBDSA-N 400.500 3.552 0 50 HHAA COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3Cl)C2)cc1OC 890340 ACZOMONSVCMHIW-KRWDZBQOSA-N 416.861 3.900 0 50 HHAA NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 955046 XQZCURIXAOZZPR-OVCLIPMQSA-N 408.479 3.565 0 50 HHAA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2Br)NC(=O)N1 1113581 RIUKMEAEKVLYFX-MRXNPFEDSA-N 404.239 3.855 0 50 HHAA O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)NCc1ccco1 1113851 VKGAFTZZPRMHQO-UHFFFAOYSA-N 410.524 3.921 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1F 1134556 UITPNSIHNWLIKW-UHFFFAOYSA-N 424.803 3.903 0 50 HHAA Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 1196401 NBYSICSWAZYNCK-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 3055684 OZDXYWWKUGIEFP-UHFFFAOYSA-N 403.360 3.576 0 50 HHAA O=C(NC[C@H]1Cc2cc(Cl)cc(-c3cnccn3)c2O1)c1c(F)cccc1F 12028915 AYARFNAGFMQVGN-CYBMUJFWSA-N 401.800 3.809 0 50 HHAA CN(Cc1ccc2ccccc2n1)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12306786 BSERXEVBZNVNKJ-IBGZPJMESA-N 405.473 3.771 0 50 HHAA O=C(CCC1CCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1)NC[C@H]1CCCO1 12317816 KFLYPUBPHRNOQA-OAQYLSRUSA-N 414.525 3.503 0 50 HHAA CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)COc2ccccc2)CC1 12464910 CEHAPTSJFYFYDC-UHFFFAOYSA-N 411.498 3.706 0 50 HHAA COC(=O)c1cccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)c1 12596588 SIPXDISBEONMBP-SFHVURJKSA-N 411.408 3.745 0 50 HHAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCCc1c[nH]c3ccccc13)C2 14733284 SLNZXNLQOASODI-LJQANCHMSA-N 419.573 3.607 0 50 HHAA CCOc1ccc2nc(N3CCC[C@@H](NCc4cnn(CC)c4)CC3)nc(C)c2c1 14953634 XSMOMBTZJUNJTL-LJQANCHMSA-N 408.550 3.702 0 50 HHAA COc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)/C=C/c4cccs4)CC[C@@H]32)cc1 14990193 CYVRPDBOVJETQR-KCCBKOOLSA-N 424.566 3.852 0 50 HHAA Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1Br 20029180 PPUUZEUWNUMFBM-UHFFFAOYSA-N 402.336 3.514 0 50 HHAA COc1ccc(S(=O)(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 36055836 ROXMBDRFJORDAY-UHFFFAOYSA-N 414.571 3.728 0 50 HHAA O=S1(=O)CC[C@@]2(C[C@H](NCc3ccc(Oc4cc(F)cc(F)c4)cc3)CCO2)C1 170592036 HUVCSEQOPXJLRC-WIYYLYMNSA-N 423.481 3.583 0 50 HHAA Cc1cccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cc4cccc(C)c4[nH]c3=O)C2)c1 170620235 NIIQAVYTQLXJDV-HXUWFJFHSA-N 417.465 3.687 0 50 HHAA O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1)c1ccccc1F 239164779 MWQSPSIHKHYIBI-SEDIBGISSA-N 403.409 3.602 0 50 HHAA CC1(C)C[C@H]2C[C@@](C)(C1)[C@H]1N2c2ccc(F)cc2CC12C(=O)OC(C)(C)OC2=O 245311684 QEXXNQKKTGZYJG-JIGPKXGUSA-N 401.478 3.978 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]2[C@H]2C=Cc3cc(C)ccc3N12 248378487 JRJFEBNWTRACFP-ADYITMSISA-N 400.478 3.591 0 50 HHAA O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1ccccc1C(F)(F)F 263616950 LINMKXGVBRAFET-UHFFFAOYSA-N 417.362 3.862 0 50 HHAA CCCn1c(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc2ccccc21 469799484 JZFNAUHYAHXHEP-FQEVSTJZSA-N 405.498 3.901 0 50 HHAA Cc1ccc(NC(=O)CCNC(=O)c2cccc(Cn3nc(C)cc3C)c2)c(C)c1 828055744 VXAAIIZHEIHDND-UHFFFAOYSA-N 404.514 3.924 0 50 HHAA Cc1cccc(OC(C)(C)C(=O)N2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)c1 1616070610 CFMTVSZOQWYKRY-CVDCTZTESA-N 404.510 3.763 0 50 HHAA OC[C@]1(Cc2ccc(F)cc2)CN(c2ccc3cc(Cl)ccc3n2)CC[C@@H]1O 1857738718 VIWWKXBJUQVHQB-UNMCSNQZSA-N 400.881 3.820 0 50 HHAA Cn1cc(NS(=O)(=O)c2cc(Br)ccc2Cl)c(C(F)F)n1 1875308646 QCBQMENRYLWSSK-UHFFFAOYSA-N 400.632 3.574 0 50 HHAA Cc1ccc(-c2cc(C(=O)N[C@H]3COC[C@H]3Cc3ccnc4ccccc34)n[nH]2)o1 1940195155 GRNICZRMCPVXKW-IERDGZPVSA-N 402.454 3.514 0 50 HHAA O=C(CCc1nc(O)c2c3c(sc2n1)CCCC3)N(Cc1nccs1)C1CC1 2325852039 QSAWAQYKUIXVRV-UHFFFAOYSA-N 414.556 3.856 0 50 HHAA Cc1ccc(NC[C@@H](O)Cn2cnc3ccc(Cl)c(Br)c3c2=O)cc1 638911 JNARAJDRZBUVGD-CYBMUJFWSA-N 422.710 3.594 0 50 HHAA COc1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1Br 756544 YLSKIJOHMXINAV-UHFFFAOYSA-N 403.320 3.983 0 50 HHAA O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccncc1 1110430 ZFBMPWFGLFUAAX-QHCPKHFHSA-N 406.869 3.785 0 50 HHAA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc3c(c2)OCO3)NC(=S)N1 1123619 TUQYMJYGCXKZTN-KRWDZBQOSA-N 401.875 3.500 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1OC 2858204 SWXJFILLKRNBNH-UHFFFAOYSA-N 406.685 3.921 0 50 HHAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1Cl 2886274 SFCUOBSDJNBYOO-UHFFFAOYSA-N 408.907 3.532 0 50 HHAA O=C(NCCc1ccccc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1 3055515 CHYXIBROVMUMRJ-UHFFFAOYSA-N 401.459 3.506 0 50 HHAA COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)NC2=S)cc1 8399670 NPZVNBKYHMVFMW-GDNBJRDFSA-N 419.300 3.729 0 50 HHAA CCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2cccc(OC)c2OC)oc1C 11817605 VMAFMSMIALRPPG-MRXNPFEDSA-N 402.491 3.975 0 50 HHAA Cc1cccc(Cc2nnc(CCC(=O)N(C)CC3CCN(CC(C)C)CC3)o2)c1 11879961 CKTPHJJYFLESMU-UHFFFAOYSA-N 412.578 3.728 0 50 HHAA COc1cccc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)c1 11969309 JBYNWJVZZBVNSQ-LJQANCHMSA-N 407.445 3.642 0 50 HHAA COCCC(=O)N1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 12202975 LRCQIDJZXPEJHC-UHFFFAOYSA-N 406.404 3.879 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)sc3C)C2)cc1OC 12386103 RFZIUKXDESZPBN-INIZCTEOSA-N 423.556 3.666 0 50 HHAA CC(=O)NCCC(=O)N(CC1CCN(CCc2ccccc2C)CC1)C1CCCC1 12747010 LXAYEBYYZYSDQU-UHFFFAOYSA-N 413.606 3.547 0 50 HHAA CC[C@@H]1CN(CCNC(=O)c2c(F)cccc2Cl)Cc2cc(OC)ccc2O1 14994445 ZJLWOFPOEWNDFG-OAHLLOKOSA-N 406.885 3.891 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(C)cc3C)n2)ccc1C 16651744 IJNGBAIAHLVOBP-QGZVFWFLSA-N 418.497 3.994 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c1 18148916 DLXQXYUHRMTGOB-HDICACEKSA-N 408.454 3.636 0 50 HHAA COc1cc(Br)c([C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 19731576 UPDZXQZVUVQEOV-IBGZPJMESA-N 408.292 3.719 0 50 HHAA in-vitro O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2ccc(SC(F)F)cc2)C1=O 19878611 NVUMGYSNZUCHFJ-LBPRGKRZSA-N 410.423 3.519 0 50 HHAA COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OC[C@@H]3CCCO3)c2n1 21788900 DVHAZURBTSTJDZ-LBPRGKRZSA-N 421.375 3.760 0 50 HHAA CCCC(=O)Nc1cc(C(=O)N2CCCC[C@H]2c2nc(CCOC)no2)ccc1C 55036976 YJEFXKSAWOJJIM-SFHVURJKSA-N 414.506 3.673 0 50 HHAA COc1ccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)no2)cc1F 169769328 FIAWBNMVLAJZOM-GOSISDBHSA-N 407.405 3.723 0 50 HHAA CC(C)(c1ccccc1)c1nnc(NC(=O)c2ccc(N3CCNC3=O)cc2)s1 170622577 ANHXDXNPRJQMHS-UHFFFAOYSA-N 407.499 3.646 0 50 HHAA CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C(=O)NC[C@H]3CCCO3)C(C)C)o2)cc1 253419956 NYYSLAKYSVKKSV-WIYYLYMNSA-N 413.470 3.626 0 50 HHAA CCOc1ccc([C@H]2Cn3nnc(-c4nc(-c5cccnc5)no4)c3CO2)cc1Cl 263617434 NUKRRCRKGLYPGU-QGZVFWFLSA-N 424.848 3.714 0 50 HHAA CC[C@H]1NC(=O)N(c2cccc(NCc3ccc(Oc4cnccn4)cc3)c2)C1=O 475575881 QWWOTVPLEAWGTE-LJQANCHMSA-N 403.442 3.716 0 50 HHAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 735802187 ZLTCZHPXJPNYDL-CDVLOSONSA-N 419.525 3.786 0 50 HHAA CSc1ccc(NC(=O)N2CCCN(C(=O)c3sc(C)nc3C)CC2)cc1 1772819179 PYWKJVSKEBLGMU-UHFFFAOYSA-N 404.561 3.862 0 50 HHAA COc1ccc(-c2cc(C(=O)N3CCCOCC34CC4)nn2-c2ccccc2)cc1 1875256663 ACBFQNRJGWJTLH-UHFFFAOYSA-N 403.482 3.943 0 50 HHAA O[C@@H](c1ccc(F)cc1)C1CCN(Cc2nc3cc(Br)cnc3[nH]2)CC1 2325733813 DYEIPKVVLXQVIF-SFHVURJKSA-N 419.298 3.805 0 50 HHAA Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 1122111 MKXFEQVWWHJKEY-UHFFFAOYSA-N 420.487 3.736 0 50 HHAA O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CCCCCC1 1143566 GRVJPBZADKGNQK-UHFFFAOYSA-N 406.935 3.938 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 2884755 KZNDKHGRFGAEBA-UHFFFAOYSA-N 402.516 3.624 0 50 HHAA CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSc1ncccn1 9087999 HMRLWRBYAKKORT-UHFFFAOYSA-N 408.443 3.620 0 50 HHAA CCN(Cc1ccccc1OCCO)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 11878512 JGHVJTJCBLHBRE-QFIPXVFZSA-N 414.565 3.973 0 50 HHAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)c1scc2c1CCCC2 11933267 HMJXASZFIMPGSN-UHFFFAOYSA-N 403.636 3.895 0 50 HHAA COCc1c(C(=O)N(C)Cc2csc(C)n2)c(=O)cc(C)n1CC1CCCCC1 12156251 AOMBECLYZFQNGU-UHFFFAOYSA-N 417.575 3.921 0 50 HHAA Cc1ccc2nc([C@@H]3CCCN3Cc3nc(-c4ccc5c(c4)OCO5)no3)[nH]c2c1 12303277 JMJMLCAQTXXIFX-KRWDZBQOSA-N 403.442 3.987 0 50 HHAA COC(=O)c1cccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3C)C2)c1 12587207 KUGXBDSNVSOEHR-FQEVSTJZSA-N 408.542 3.808 0 50 HHAA Cc1cc(C(=O)N(CC2CCN(Cc3ccccc3C)CC2)C[C@H]2CCCO2)no1 12758790 VESKWDDISBVSBC-JOCHJYFZSA-N 411.546 3.825 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccccc3Cl)n2)ccc1C 16649964 CRUXJJBDLLDAMC-UHFFFAOYSA-N 424.888 3.859 0 50 HHAA COc1cc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)cc(OC)c1O 19549426 VZIUCJNLJICNFT-UHFFFAOYSA-N 410.436 3.746 0 50 HHAA COc1ccccc1CCN1CCC[C@H](CN(C)Cc2nc3ccccc3n2C)C1 23340371 GTJYSNXNGBMYCU-HXUWFJFHSA-N 406.574 3.968 0 50 HHAA COCCN(Cc1ccc2c(c1)CCO2)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 55270775 WYGWRAMQGJSZSE-JOCHJYFZSA-N 420.597 3.949 0 50 HHAA CC(C)Cn1c(SCC(=O)[C@@H](C#N)C(=O)NCc2ccccc2)nc2ccccc21 136200099 VYVKFUMSARELME-GOSISDBHSA-N 420.538 3.810 0 50 HHAA CNC(=O)Nc1cc(Oc2cncc(C)c2)c(-c2ccc(OCC(C)(C)O)nc2)cn1 206929891 QUISANLDBDCMPD-UHFFFAOYSA-N 423.473 3.540 0 50 HHAA in-vitro Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3nc4ccccc4[nH]3)c(Cl)cc12 223214573 KERCVHZNWJZBET-GFCCVEGCSA-N 411.845 3.887 0 50 HHAA O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1 238901763 MNHQDMJTMLBHJB-QAQDUYKDSA-N 419.481 3.613 0 50 HHAA CO[C@@H]1O[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2[C@H](OC(C)=O)[C@H]1NC(=O)c1ccccc1 257346941 GMOOACLSMCVXRV-PXHCKWMZSA-N 423.509 3.672 0 50 HHAA O=C(NCc1nc(O)n[nH]1)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc12 484153148 AIMQZKNHIBYWNC-UHFFFAOYSA-N 410.821 3.826 0 50 HHAA C[C@H](NC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(-c2ccncc2)cc1 754664411 VLMDZWUUQUNHAS-JJEOQYAHSA-N 405.498 3.593 0 50 HHAA Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 952973574 XZCLGEHCIUCKJG-UHFFFAOYSA-N 417.513 3.764 0 50 HHAA Cc1ccc(-n2nc(C)cc2NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)cc1 1319412611 ZWDDNMDIBVTHIV-UHFFFAOYSA-N 419.533 3.686 0 50 HHAA C[C@H]1Oc2ccc(NC(=O)CC3CCN(Cc4ccccc4)CC3)cc2N(C)C1=O 1506418361 HFWIQUHBYCMOGL-QGZVFWFLSA-N 407.514 3.671 0 50 HHAA Cc1oc2c(c1C(=O)N[C@H]1COC[C@H]1Cc1ccnc3ccccc13)C(=O)CCC2 1704353284 DJDGWZPHZKPISS-APWZRJJASA-N 404.466 3.643 0 50 HHAA O=C(COC(=O)c1ccccc1NCCc1ccc(Cl)cc1)NCC(F)(F)F 1775996368 ODCCCDUXTYLJLT-UHFFFAOYSA-N 414.811 3.830 0 50 HHAA CCOc1ccc2nc(N3C[C@@H](C(=O)N4CCc5ccccc5C4)CC3=O)sc2c1 1857674108 QTCSSCHPDIZRID-KRWDZBQOSA-N 421.522 3.633 0 50 HHAA Cc1cccc(C)c1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O 817061 HNQZPEHMCSCFJC-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA COc1cc(NC(=S)NC(=O)/C=C/c2ccco2)ccc1NC(=O)c1ccco1 1179795 NAXLFQKBAOEIGB-VQHVLOKHSA-N 411.439 3.660 0 50 HHAA COc1ccccc1NC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 1254434 AKWGOUYVFBNPJE-UHFFFAOYSA-N 400.460 3.799 0 50 HHAA Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 4199639 JDXRLQHDGXYKKD-OAHLLOKOSA-N 416.271 3.537 0 50 HHAA Cn1cc(CNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)cn1 6456707 QHMCPCKJOITSHN-UHFFFAOYSA-N 422.286 3.723 0 50 HHAA C[C@@H]1CN(CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 11910227 AHEOTJSPZQIZCU-DENIHFKCSA-N 406.526 3.781 0 50 HHAA Cc1ccccc1[C@@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1ccncc1 11938192 IHOMQITWUGVNHI-QFIPXVFZSA-N 419.435 3.827 0 50 HHAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCSCC2)c1 11952651 QRQAAHYXJLIPRN-UHFFFAOYSA-N 404.576 3.670 0 50 HHAA COc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccc2)c(OC)c1C 12055918 NDDVSGZNOFDRNH-JOCHJYFZSA-N 422.569 3.973 0 50 HHAA O=C1CCN(C(=O)c2csc(-c3cccs3)n2)CCN1Cc1cccc(F)c1 12128739 YLRVSNHECHHULN-UHFFFAOYSA-N 415.515 3.885 0 50 HHAA O=C(NCCCn1ccc2ccccc21)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12434665 MXZGWIHFAREQJD-FQEVSTJZSA-N 407.489 3.726 0 50 HHAA C[C@@H](CC1CC1)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 12592987 BXVLMHFZWWYKTP-INIZCTEOSA-N 407.986 3.663 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCC([C@H](O)c4cccs4)CC3)n2)cc1 12593388 NZHWHZXDMIXEAL-IBGZPJMESA-N 413.499 3.530 0 50 HHAA COc1ccc(CC(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1OC 12716249 WKHFCDSRYKHRNB-MRXNPFEDSA-N 411.527 3.641 0 50 HHAA COc1ccc(CNC(C2CC2)C2CC2)cc1OC[C@H](O)CN1CCCCCCC1 12718002 HYJBSLAYBTZDSI-JOCHJYFZSA-N 416.606 3.979 0 50 HHAA Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 13427023 ZYSNZAHLHRYOLQ-RLFYNMQTSA-N 412.795 3.752 0 50 HHAA Cc1nonc1CN(C)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1 15071963 GROHIALHCKWRFK-UHFFFAOYSA-N 400.523 3.540 0 50 HHAA CC[C@H](C)c1ccc(S(=O)(=O)N(C)Cc2nn(CC)cc2Br)cc1 20614229 SKLDCDWZGSUPDZ-ZDUSSCGKSA-N 414.369 4.000 0 50 HHAA CCc1nn2c(nnc3c(=O)n(C[C@H]4CCCO4)ccc32)c1-c1ccc(Cl)cc1 40395953 DSQRAXPYTHEFOL-OAHLLOKOSA-N 409.877 3.501 0 50 HHAA CN(C)c1nc(Cl)c(CN2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)s1 64024045 RPBGKBRNCYDTLV-AWEZNQCLSA-N 408.955 3.710 0 50 HHAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(CC(=O)O)cc3)nc2)C1 71735478 FEFWROKYYIBTQW-HXUWFJFHSA-N 408.498 3.843 0 50 HHAA O=C(c1ccccc1Cl)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101282839 MXOPGELMGWMTLK-FEBSWUBLSA-N 424.859 3.844 0 50 HHAA COc1ccccc1C(=O)N1[C@H](C(=O)Nc2cccc3nonc23)C[C@@H]2CCCC[C@@H]21 225795495 GJFGQJAXKOKWPZ-JVPBZIDWSA-N 420.469 3.643 0 50 HHAA O=C(Oc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccccc1F 245311723 QOUJYOJZBOKUNZ-PXQWOVGCSA-N 403.409 3.602 0 50 HHAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 476278833 RVNNFWCCESQZPW-UHFFFAOYSA-N 404.898 3.569 0 50 HHAA C[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2cccc(C(F)(F)F)c2)C1 822416747 AMHLZKUKRDJODE-RISCZKNCSA-N 406.408 3.911 0 50 HHAA CCc1oc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)cc1CN1CCCC1 823570852 ZSZZSHXITPRMCB-GOSISDBHSA-N 401.576 3.894 0 50 HHAA CCOC(=O)[C@@]1(C(=O)O)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1772716035 JPIZDNGCUJFBFP-DEOSSOPVSA-N 423.465 3.665 0 50 HHAA Cc1cc(N2CCC(N(C)C(=O)c3c[nH]nc3-c3ccccc3Cl)CC2)nc(C)n1 1875265243 FWBNDVXDCMMPFG-UHFFFAOYSA-N 424.936 3.878 0 50 HHAA COC(=O)[C@@H]1CN(Cn2ncn(-c3cccc(Cl)c3)c2=S)Cc2ccccc21 1875302942 ORWJBRQTHYLMEX-GOSISDBHSA-N 414.918 3.787 0 50 HHAA O=C(c1ccccc1S(=O)(=O)Cc1ccccc1)N1CCc2ccccc2CC1 2100483667 HXVLEHKWPSBQFN-UHFFFAOYSA-N 405.519 3.902 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3cccc(-c4cn[nH]c4)c3)CC1)OCC2 2356162259 FBDUIXVEPBIMTC-UHFFFAOYSA-N 403.482 3.790 0 50 HHAA CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 788097 MNCCPMQNLBRILS-AWEZNQCLSA-N 401.260 3.643 0 50 HHAA CCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2cc(Br)ccc21 1066037 CKIUJYTTZXFXTB-INIZCTEOSA-N 414.708 3.991 0 50 HHAA CCc1ncc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2cccc(F)c2)cn1 2356143685 SCKNLKNVKKIPLW-FUKQBSRTSA-N 422.548 3.736 0 50 HHAA COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc(Cl)c1OC 4705128 YNEARUGGELXGLL-UHFFFAOYSA-N 406.866 3.504 0 50 HHAA CCOC(=O)c1c(NC(=O)c2c(Br)cnn2CC)sc(C)c1C 649209 PQXPYUPMDJBLMC-UHFFFAOYSA-N 400.298 3.773 0 50 HHAA OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1C1CCCCC1 22913890 USWOHPYHDMQLHR-NRFANRHFSA-N 402.970 3.931 0 50 HHAA O=C(O)CCCC(=O)Nc1nn(Cc2ccc(Cl)cc2)cc1Br 2764180 OJCCOQURKDYQJA-UHFFFAOYSA-N 400.660 3.541 0 50 HHAA Cc1ccc(-c2nc(Cn3c(=O)c4cccnc4n(-c4ccccc4)c3=O)c(C)o2)cc1 12462039 YANKOLJCHUBTTI-UHFFFAOYSA-N 424.460 3.868 0 50 HHAA O=C(Nc1ccc2c(c1)CN(Cc1cccn1-c1nccs1)CC2)[C@@H]1CCCO1 20234853 OLERHWFTEIIYLU-FQEVSTJZSA-N 408.527 3.610 0 50 HHAA Cc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4cccc(Br)c4)ccn3n2)cc1 263615344 BWKYNXYIHJLMTA-HXUWFJFHSA-N 424.298 3.968 0 50 HHAA C=Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCCCc2ccncc2)cc1 299801392 XTXCXKVYCYIORH-QFIPXVFZSA-N 403.526 3.716 0 50 HHAA COc1cccc([C@H](NC[C@H](O)COc2cccc3[nH]ccc23)c2ccccn2)c1 170598103 KGTNEDVNHDVXBP-UUOWRZLLSA-N 403.482 3.690 0 50 HHAA COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(C(F)(F)F)n1 170600371 AQFZOQAJYVZAHY-JTQLQIEISA-N 413.783 3.754 0 50 HHAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NC2CCN(Cc3ccco3)CC2)s1 1506398741 FCLGGMDISGSYCW-UHFFFAOYSA-N 421.544 3.556 0 50 HHAA Cc1cc(Cl)ccc1OCCN1CCN(Cc2cc(-c3cccnc3)no2)CC1 1506399333 LZIRIQDKVSWRRO-UHFFFAOYSA-N 412.921 3.895 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C(C)C)no2)C1 11709274 YMWBRGZLUMRBNR-JOCHJYFZSA-N 402.466 3.965 0 50 HHAA O=C(CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)N[C@@H](c1ccccn1)C(F)(F)F 11788625 YXDYLLUIWFCAMY-PMACEKPBSA-N 423.410 3.612 0 50 HHAA COc1cc(C)c(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1C 11816282 GAJDWDAIKRSXRJ-UHFFFAOYSA-N 419.529 3.993 0 50 HHAA COc1cccc(CN(C)C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C)c1 12029432 IPLATDLYLZKAIQ-UHFFFAOYSA-N 419.510 3.980 0 50 HHAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 12305629 HAJPAAHVERGFNC-GOSISDBHSA-N 405.454 3.830 0 50 HHAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)Nc2ccc(OC)cc2)CC1 12441817 BGMBYMADJXTAGY-LJQANCHMSA-N 404.507 3.832 0 50 HHAA O=C(CCC1CCN(Cc2cccn2-c2nccs2)CC1)NCc1cccnc1 15077469 UEPPMNHROWRGKM-UHFFFAOYSA-N 409.559 3.637 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(OC)c(F)c4)C3)[nH]n2)cc1 169753651 NTTAUKJRGDOTEN-QGZVFWFLSA-N 424.476 3.632 0 50 HHAA O=C(c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2)N1CCN(c2ccccc2)CC1 169759579 XTWOAGSKEMTIDI-QFIPXVFZSA-N 422.916 3.770 0 50 HHAA CC(C)C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 169817547 HOGGKVRXGFJNGK-UHFFFAOYSA-N 407.145 3.813 0 50 HHAA Cc1noc(C)c1CCC(=O)N[C@H]1CCCC12CCN(Cc1cnsc1)CC2 1857695551 OKBBVWWMLYHCSX-IBGZPJMESA-N 402.564 3.632 0 50 HHAA COc1ccc(CN2CCC[C@H](N(C)CCc3ccccn3)C2)c(Cl)c1OC 20209208 DCKYYRJLLFSXJS-IBGZPJMESA-N 403.954 3.891 0 50 HHAA Cc1ccc2occ([C@@H]3CC(=O)Oc4c(O)cc5c(C)cc(=O)oc5c43)c(=O)c2c1 2049252115 ZFLBVNTXJUXZCY-ZDUSSCGKSA-N 404.374 3.663 0 50 HHAA Cc1ccccc1-c1cnc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)o1 2325853554 UREMWPLOGRSVOI-UHFFFAOYSA-N 416.485 3.874 0 50 HHAA CC(C)CCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 637961 OIKSJGWYNZQZGD-UHFFFAOYSA-N 410.902 3.554 0 50 HHAA CN(C)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccc(N)cc3)cc21 754972 VZZJGQNADKTCBR-UHFFFAOYSA-N 414.509 3.846 0 50 HHAA COc1ccc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2Cl)cc1OC 1162898 XCYNNTLZGIQGMD-UHFFFAOYSA-N 421.902 3.584 0 50 HHAA CCn1cc(CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)cn1 6490307 ZCNBTXKHIPHWGC-UHFFFAOYSA-N 414.465 3.819 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2cnn(C)c2C)C[C@H]2CCCO2)CC1 11951327 FJMLSDSULQPWKT-RUZDIDTESA-N 410.606 3.930 0 50 HHAA CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 12098686 ZBPXDNJXLPENPB-IBGZPJMESA-N 417.557 3.837 0 50 HHAA Cc1cc(CN(C)C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)on1 12112213 CNFNMIFRJWJBJP-UHFFFAOYSA-N 403.526 3.654 0 50 HHAA COc1cc(CN2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c(Cl)cc1O 12314554 CUBVILDEQDDLDY-MRXNPFEDSA-N 404.894 3.902 0 50 HHAA O=C(O)C[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 22229313 HURYDRANBZDEAQ-IFRHDIGASA-N 414.461 3.790 0 50 HHAA CC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N3CCC[C@H]3C)nc2c1=O 72435689 LZQQXGMFCGJFDN-OAHLLOKOSA-N 408.502 3.964 0 50 HHAA Cc1csc([C@](O)(CC(=O)N2CCC(c3ccc(O)cc3)CC2)C(F)(F)F)n1 144824128 CCCKGSNUBNLRHS-GOSISDBHSA-N 414.449 3.703 0 50 HHAA CCOc1cccc([C@H]2CC(c3cccc(NS(=O)(=O)CC)c3)=NN2C(C)=O)c1 170618363 RAPZODDEGKRQDP-OAQYLSRUSA-N 415.515 3.545 0 50 HHAA CC(C)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccc(F)cc1 225514451 OFPDICXKTXXTMQ-LJQANCHMSA-N 403.479 3.531 0 50 HHAA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2F)C(=O)N1Cc1ccccc1 226831720 JIHLWDVKLHWOTL-FDFHNCONSA-N 402.425 3.872 0 50 HHAA Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(N4C[C@H](C)O[C@H](C)C4)ccn3)[C@@H](C)CO2)c1 242273831 YGCYAZVOHWKQFF-KTIHBUSBSA-N 423.557 3.914 0 50 HHAA O=C(NC[C@H](O)C1CCCCC1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476698501 JKZKIOJGSLBPHL-IBGZPJMESA-N 406.885 3.800 0 50 HHAA Cn1ccnc1[C@H](NC(=O)NC[C@H](O)c1cc2ccccc2s1)c1cccc(F)c1 757608253 WKTMOIABYUSGPD-FXAWDEMLSA-N 424.501 3.896 0 50 HHAA O=C(NOC1CCC1)N1CC[C@](c2nc(-c3cccc(F)c3)no2)(C(F)(F)F)C1 952893624 NMNSWBDBIZAAOU-KRWDZBQOSA-N 414.359 3.575 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)cc2)n1 1506396618 LFHNNEDUDQIFQS-QHCPKHFHSA-N 404.514 3.765 0 50 HHAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1615963588 KJEZUKNXSXBZPE-AVRDEDQJSA-N 406.530 3.637 0 50 HHAA O=C1CC[C@@H](n2cc(NC(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)CN1 1875316592 BQFHKSVIPOHGKZ-OAQYLSRUSA-N 403.486 3.569 0 50 HHAA O=C1NCCc2ccc(NC(=O)N3CCC[C@H](c4ncc(-c5ccccc5)[nH]4)C3)cc21 2325708155 CVGYLLXLZZIVJI-SFHVURJKSA-N 415.497 3.774 0 50 HHAA C[S@@](=O)c1cccc(NC(=O)c2[nH]c3ccccc3c2I)c1 2325862372 RJKCBUJEPQJHTI-JOCHJYFZSA-N 424.263 3.762 0 50 HHAA CCOC(=O)c1c(NC(=O)c2cc3cc(OC)ccc3oc2=O)sc2c1CCC2 938124 OXXCEYXUZAAYRK-UHFFFAOYSA-N 413.451 3.781 0 50 HHAA COc1cc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2C(C)=O)cc(OC)c1OC 946374 HKOQJYKDPVESGN-UHFFFAOYSA-N 412.394 3.549 0 50 HHAA biogenic CCc1cc2c(=O)c(Oc3cnn(-c4ccccc4)c3)coc2cc1OCC(=O)OC 1143356 JTQJPEHDQRUPOA-UHFFFAOYSA-N 420.421 3.885 0 50 HHAA Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1444559 IJMVXTIOKYSHRS-UHFFFAOYSA-N 423.420 3.909 0 50 HHAA Brc1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1 2849604 FGJLNOIZFXEICJ-UHFFFAOYSA-N 415.335 3.743 0 50 HHAA COc1ccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1Cl 2869506 XARWGRSEIFHGQR-CQSZACIVSA-N 410.923 3.759 0 50 HHAA COC(=O)c1c(C(=O)OC)c2cccnn2c1C(=O)c1ccc(-c2ccccc2)cc1 4543068 KSIKNCRHWQPMFQ-UHFFFAOYSA-N 414.417 3.806 0 50 HHAA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(=O)O)cc3)C2=O)cc1C 4694634 NWSVGISNYOCWGI-LICLKQGHSA-N 410.451 3.677 0 50 HHAA O=C1C[C@@H](N2CCCc3ccccc32)C(=O)N1c1ccc(Br)cc1F 4821306 KHZPWBOCYYGTPI-QGZVFWFLSA-N 403.251 3.673 0 50 HHAA CCCC[C@H]1CN(CC(=O)NCc2ccc(OC)c(OC)c2)Cc2ccccc2O1 12098375 LUJCHIFEAZCCPV-FQEVSTJZSA-N 412.530 3.773 0 50 HHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2ccc(OC)o2)C1 12226948 XCKNZKQVHIHCCK-QFIPXVFZSA-N 401.459 3.543 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC(C(N)=O)CC2)cc1F 12303328 YOQRXPSKXYNIRW-UHFFFAOYSA-N 422.504 3.693 0 50 HHAA COc1c(C)cc(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1C 12372782 LPYUOFTXANLMSL-LJQANCHMSA-N 401.528 3.737 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 17082910 OLISTOKEPCXXGI-ZIAGYGMSSA-N 404.532 3.739 0 50 HHAA COCCN(Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12)C(C)C 19741254 GDZQLQDHARFNEG-UHFFFAOYSA-N 414.575 3.567 0 50 HHAA COc1ccc(C)cc1NC(=O)c1cnn(C)c1C(=O)Nc1cc(C)ccc1OC 20616269 OQERIWQJUIUALN-UHFFFAOYSA-N 408.458 3.559 0 50 HHAA CC(=O)c1ccccc1C(=O)N1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 55098911 VJHQNZHDYZRZOU-OAQYLSRUSA-N 405.542 3.624 0 50 HHAA O=C([C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCC2(CCCC2)C1 82087634 JFYISXLPKMCBRP-QFIPXVFZSA-N 410.606 3.551 0 50 HHAA Cc1ccc(CNC(=O)[C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)o1 82120108 FHOYVOMGUMPNAW-JOCHJYFZSA-N 409.574 3.623 0 50 HHAA CCC[C@@H](NS(=O)(=O)c1c(Cl)ccc2scnc12)c1nnc2ccccn12 170597029 GZUJBBNYUKVKAA-GFCCVEGCSA-N 421.935 3.812 0 50 HHAA Cn1ccnc1Sc1ccccc1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 170625845 HWFIRFPHYSHCJF-QGZVFWFLSA-N 414.437 3.981 0 50 HHAA COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CC1 198078990 GRSOAYHFFOXZNL-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA CNC(=O)Nc1ccc(-c2nc(-c3ccc(N)cc3)nc(N3CCCCC3)n2)cc1 261506694 ACPAHUCASWYWAQ-UHFFFAOYSA-N 403.490 3.529 0 50 HHAA C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@]4(CCCc5ccccc54)C3)ccc2N1C 439994351 JXFMRGDFYVHFHN-NSYGIPOTSA-N 403.526 3.974 0 50 HHAA Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)cc1-n1cccc1 823691461 NOKXKSQATZXRLI-UHFFFAOYSA-N 423.538 3.629 0 50 HHAA Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCN(c4ccccc4)CC3)c2)n1 886024672 ZIFWFSBRSZPQFF-UHFFFAOYSA-N 415.497 3.996 0 50 HHAA Oc1cc([C@H]2CCN(Cc3coc(-c4ccc(F)c(C(F)(F)F)c4)n3)C2)nc(O)n1 1307891744 WAVPQHXKFCZYLW-NSHDSACASA-N 424.354 3.690 0 50 HHAA Cc1cccc(C(NC(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)c2cccc(C)c2)c1 1312205061 TYHDWOWDEBHRIO-LJQANCHMSA-N 405.502 3.806 0 50 HHAA CCn1ncc(CNC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)c1C 1857733838 AWLBUIVXJXQUBV-CQSZACIVSA-N 401.898 3.539 0 50 HHAA CCCCOc1ccccc1C(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857739647 YXUSDJVCVXPRQS-HOKHCIIBSA-N 420.509 3.780 0 50 HHAA CC(=O)[C@@H]1C[C@H](CC(=O)OCC(=O)NCCOc2ccc3ccccc3c2)C1(C)C 1875262049 JTYIWAFCQOXWGR-CTNGQTDRSA-N 411.498 3.519 0 50 HHAA COc1ccc(Cc2nc(-c3cccc(N(C)C)n3)nn2C23CC(C2)C3)cc1OC 1875348558 VKBUMSZQKKQBIA-UHFFFAOYSA-N 405.502 3.523 0 50 HHAA Cc1cnc2n1[C@H](C(=O)N[C@@H](C(=O)O)c1ccc(OCc3ccccc3)cc1)CCC2 2325876859 CNRIJCKSWVLKMO-RBBKRZOGSA-N 419.481 3.590 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCCSc3ccc(Br)cc32)CC1 2325889487 SZMSIJZJDUJYTL-MRXNPFEDSA-N 423.376 3.917 0 50 HHAA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(F)cc2)NC(=O)N1 845701 AJJAYYMMDJNYGK-INIZCTEOSA-N 404.239 3.855 0 50 HHAA COc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1OC 1217336 KKVOYSGKOBOAKX-UHFFFAOYSA-N 402.516 3.704 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1Cl 2853845 OOJMSVCHOVDIQU-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CC(C)(C)OC2 2860700 KJOWLNSAMQUNFE-UHFFFAOYSA-N 403.500 3.966 0 50 HHAA CCCCN1C(=O)[C@@](O)(CC(=O)Cc2ccccc2)c2cc(Br)ccc21 4554836 MYRCNGHABDRTLI-OAQYLSRUSA-N 416.315 3.985 0 50 HHAA COc1ccc(CCNC[C@@H](O)c2cccc(Br)c2)c(Cl)c1OC 4689991 GAKKCKOWLURTEK-OAHLLOKOSA-N 414.727 3.985 0 50 HHAA COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1 11759955 UAQIXRBYZBOTGX-LJQANCHMSA-N 422.485 3.724 0 50 HHAA CCOc1cc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)ccc1OC 11838324 JLXSEKZFCPNYQI-GOSISDBHSA-N 400.494 3.875 0 50 HHAA CN1CCC(N2C[C@@H]3C[C@@H](c4cccc(C(F)(F)F)c4)N4CCC[C@@]34C2=O)CC1 11954184 PIHHXMUBGVMFQQ-CUWPLCDZSA-N 407.480 3.537 0 50 HHAA CC(C)N1CCC(C(=O)N2CC[C@@]3(CCCN(Cc4cccc(F)c4F)C3)C2)CC1 12028337 GEKADXBBAJOYNK-XMMPIXPASA-N 419.560 3.900 0 50 HHAA CC(C)Cn1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2CCCCCC2)c1 12051257 AOGYYEFXNIOWPL-UHFFFAOYSA-N 415.578 3.831 0 50 HHAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)CSc1ccncc1 12315085 JNEZHKRPGKZHAX-SFHVURJKSA-N 401.551 3.726 0 50 HHAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CSc2nnc(C)o2)cc1 12577023 NUTKNHJAXVPATL-KRWDZBQOSA-N 411.531 3.794 0 50 HHAA CCn1c(C(=O)OC)c(NC(=O)[C@@H]2CCOC2)c2cc(NC3CCCCC3)cnc21 14535222 SLXUQNLAHYYVHP-CQSZACIVSA-N 414.506 3.562 0 50 HHAA CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccc(Cl)s1)C2 14748615 DLBISMVUCVWOLJ-AWEZNQCLSA-N 406.983 3.891 0 50 HHAA Cc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4ccc(F)cc4F)c3C)n2)o1 14992034 PERMIMOGKXVGSK-UHFFFAOYSA-N 409.396 3.747 0 50 HHAA CCCCOC(=O)NC(NC[C@H](O)c1ccccc1)(C(F)(F)F)C(F)(F)F 19340393 XWKRSPNZZZYOBC-LBPRGKRZSA-N 402.335 3.657 0 50 HHAA Cc1ccc(CN(C)c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cn2)o1 19958760 HMHUWVPPEVNWJS-UHFFFAOYSA-N 406.486 3.698 0 50 HHAA Cc1cccc2c(C(=O)NCCN3CCOCC3)cc(-c3ccccc3Cl)nc12 20418366 NZOYMUOVOVIHLT-UHFFFAOYSA-N 409.917 3.926 0 50 HHAA Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2F)c1 65363356 HCCZIORMSQHRKC-UHFFFAOYSA-N 413.474 3.568 0 50 HHAA CC(C)Oc1cccc2c1c(NS(=O)(=O)c1cccnc1)nn2CC(F)(F)F 77425633 FBQZEYLXQNTHJP-UHFFFAOYSA-N 414.409 3.582 0 50 HHAA COc1ccc(CN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c(C)c1C 91746505 BJBYZGRWHJDQHD-NRFANRHFSA-N 400.563 3.696 0 50 HHAA O=C(c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O)N1CCCC1 216167831 SAFRITOMXTXJEN-UHFFFAOYSA-N 405.298 3.711 0 50 HHAA O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCc2sccc2[C@H]1c1cccs1 252444280 NSCRMHWHGBMGRC-XLIONFOSSA-N 423.563 3.878 0 50 HHAA CC[C@@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N1Cc2ccccc2C1=O 952986295 ZFWYYGBICLNMCT-QFIPXVFZSA-N 407.514 3.533 0 50 HHAA O=C(c1ccc(CSc2ncccn2)o1)N(Cc1ccccn1)C[C@H]1CCCO1 1506414479 ZSSJFGYKFVPGES-QGZVFWFLSA-N 410.499 3.578 0 50 HHAA CSCc1ccc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)o1 1857725769 LXKFNZMCTCPDMY-SFTDATJTSA-N 400.544 3.821 0 50 HHAA O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cn(Cc2cccnc2)nn1 1875260751 CYMKNXLILRUYGY-KETPHWKMSA-N 421.504 3.749 0 50 HHAA O=C(Nc1ccc(F)c(Br)c1)N[C@@H](C(=O)O)[C@H]1CCc2ccccc21 1875323899 WERYDFHVNCVSEO-XJKSGUPXSA-N 407.239 3.893 0 50 HHAA CC(C)(C)c1ccccc1NC(=O)CCC(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356156293 UZLWXUNHMHBXQH-DEOSSOPVSA-N 408.546 3.933 0 50 HHAA COc1cccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 630148 NLTAKELARLJUBI-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)OCc1ccccc1 837161 HRJCMADMXCKONH-OVKIHRCZSA-N 423.468 3.622 0 50 HHAA CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 846490 CRXVMJTZTUHFHS-QFIPXVFZSA-N 414.461 3.931 0 50 HHAA O=C(CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc2ccccc2c1 852372 QNVTYTZAIOUTKK-LJQANCHMSA-N 408.454 3.983 0 50 HHAA COC(=O)c1ccccc1NC(=O)COc1ccc2oc(-c3ccco3)cc(=O)c2c1 1978240 YNFZUWYXDSHHQE-UHFFFAOYSA-N 419.389 3.857 0 50 HHAA COc1cc(C(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc(OC)c1OC 2763520 PWMYEOQKHYJXQX-UHFFFAOYSA-N 401.850 3.863 0 50 HHAA O=C(NC1CC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 2979033 XYMISFCMBPPHTC-UHFFFAOYSA-N 406.507 3.974 0 50 HHAA CC(C)c1cc(C(=O)N2CCOCC2)c(NC(=O)[C@@]2(C)CC2(Cl)Cl)s1 4749881 VBSUQJKARAYMOK-MRXNPFEDSA-N 405.347 3.866 0 50 HHAA O=C1C[C@H](Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1cccc(Cl)c1Cl 6143682 KBKQTLOHQNOZKJ-INIZCTEOSA-N 420.296 3.574 0 50 HHAA Cc1cc(C)nc(N2CCN(c3cc(C)nc4c(-c5ccccc5)c(C)nn34)CC2)n1 6760670 NKBCBPMCTVOZGO-UHFFFAOYSA-N 413.529 3.747 0 50 HHAA COc1ccc(/C=C/C(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)cc1OC 12304371 WYLXNGHFANJOBS-ZAOIQFLMSA-N 424.497 3.591 0 50 HHAA Cc1cccc2nc(CCNC(=O)c3cc(COc4ccc(F)cc4F)on3)[nH]c12 12446153 NWLWILVWHNBACK-UHFFFAOYSA-N 412.396 3.689 0 50 HHAA COc1cc(OC)cc(C(=O)Nc2sc(Nc3ccc(C)cc3)nc2C(N)=O)c1 12461685 FHZLPXXJDOAZFG-UHFFFAOYSA-N 412.471 3.564 0 50 HHAA biogenic,in-vitro COc1ccc2[nH]c(CN3CCC(n4nccc4NC(=O)C4CC4)CC3)c(C)c2c1 12586443 UJULEHRFPOZBSY-UHFFFAOYSA-N 407.518 3.867 0 50 HHAA Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3cnn(C)c3C)c12 13961352 FBSVELJROOUUQI-UHFFFAOYSA-N 400.486 3.578 0 50 HHAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 23541968 YKRIALYAHQFTTC-CYBMUJFWSA-N 400.406 3.690 0 50 HHAA CCCOc1ccc(-c2nc3s/c(=C/c4c(F)cccc4Cl)c(=O)n3n2)cc1 26503123 WSRAEDBMPHNWOJ-GZTJUZNOSA-N 415.877 3.947 0 50 HHAA CC(=O)N[C@H](C)CC(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(OC(C)C)c12 72410793 BYQSZLZBHJSKDX-CQSZACIVSA-N 412.465 3.805 0 50 HHAA C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCCO2 221951541 RRIDPFHSTKKKIJ-ZHPNZGNWSA-N 419.905 3.906 0 50 HHAA O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 252477980 YZOYYNUALNCASF-AXUOBQJMSA-N 417.347 3.555 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)N[C@H](C)c4ncc(C)[nH]4)csc3C2)nc1 426489494 FLLZBOLWENOTEU-OAHLLOKOSA-N 409.559 3.786 0 50 HHAA Cc1nc(CC(C)C)c(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)s1 445918672 CWVPPABBQCCVPV-IBGZPJMESA-N 405.539 3.592 0 50 HHAA Cc1ccc(-c2ncccc2NC(=O)N[C@@H](C)c2nnnn2-c2ccccc2)s1 446589387 JTGYJRBNPRUCJN-AWEZNQCLSA-N 405.487 3.977 0 50 HHAA O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@H]1COc2ccccc2O1 484015313 VTFSVSWLYALJNJ-WMZHIEFXSA-N 417.440 3.873 0 50 HHAA Cc1nnc(N2C[C@@H]3CN(Cc4ccncc4)C[C@@]3(CCc3ccccc3)C2)s1 1772813199 VFMAHMUIXMPFCY-GMAHTHKFSA-N 405.571 3.813 0 50 HHAA CCc1nc(N2C[C@@H]3CN(Cc4nccs4)C[C@@]3(CCc3ccccc3)C2)no1 1772813455 BCZSEZQCGMYHQX-AVRDEDQJSA-N 409.559 3.660 0 50 HHAA Cc1cc(CN(C)C(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)ccc1Br 1875317782 DVTKMXWAFSCBJW-GOSISDBHSA-N 415.331 3.878 0 50 HHAA COc1ccc(OC)c2c1CN(C(=O)c1ccc3c(c1)C(=O)CCC3(C)C)C[C@H]2O 2325862326 QFYNFEWEADXXDC-LJQANCHMSA-N 409.482 3.647 0 50 HHAA COc1cccc2ccc(CN3CCC[C@@]34CCCN([C@H]3CC[C@H](O)CC3)C4=O)nc12 2356165175 WZYOHUNFQBOCDN-WATLYSKOSA-N 423.557 3.504 0 50 HHAA O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2)c1ccccc1F 730333 BVQQEFHMRLSSHZ-ZDUSSCGKSA-N 402.491 3.927 0 50 HHAA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Br)c(Cl)c1 1108729 KTOZQKPPDJAVPY-UHFFFAOYSA-N 424.711 3.809 0 50 HHAA COC(=O)C(C)(C)[C@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(=O)c1ccco1 2376601 NQARFGOSJHMIAE-CABCVRRESA-N 421.243 3.743 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2ccccc2)cc1 2981964 VMAZIQLYBHUDQK-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697945 UMQMYKFWORSVGS-UHFFFAOYSA-N 410.481 3.731 0 50 HHAA O=C1CC[C@@H](C(=O)N2CCC(c3ccncc3)CC2)CN1CCCc1ccccc1 11753455 DIKNTRKMBODBEK-HSZRJFAPSA-N 405.542 3.659 0 50 HHAA O=C(CC[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1)NCc1ccc(F)c(F)c1 11842251 FOTBXOSRPOQVCY-CQSZACIVSA-N 421.875 3.962 0 50 HHAA O=C(Cc1ccsc1)NC[C@@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 11881286 JMBYWMXXZOBRTK-IBGZPJMESA-N 402.535 3.760 0 50 HHAA COc1ccc(C[C@@]2(CCC(=O)NCc3nccs3)CCC(=O)N2)c2ccccc12 12041768 RORVEVUNBVTXAG-HSZRJFAPSA-N 423.538 3.593 0 50 HHAA O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1cn(CCc2ccccc2)nn1 12223822 KEXOYPKQFSUMIZ-DEOSSOPVSA-N 417.557 3.868 0 50 HHAA COCC(=O)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@@H]1CCCO1 12282368 OPESEUBLXDSNSS-NRFANRHFSA-N 401.478 3.601 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@H](CCC(=O)NCc3cccc(OC)c3)C2)cc1 12297451 UOIGHMYZAOUXQP-LJQANCHMSA-N 424.541 3.790 0 50 HHAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc2c(c1)OCCO2 12443199 UWTBLEWZRVVWBZ-GOSISDBHSA-N 412.505 3.624 0 50 HHAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3occc3C)C2)c(OC)c1 12457764 GRCBWJMVENBKSF-QGZVFWFLSA-N 414.502 3.554 0 50 HHAA O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 13683158 IJJZOMBBKIEWJX-UHFFFAOYSA-N 400.482 3.566 0 50 HHAA CC1(C)C[C@H](C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCCCc2ccccc2)CCO1 14972269 ZFUGPBQWIOUQNY-NHCUHLMSSA-N 412.574 3.569 0 50 HHAA COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 15352837 BREDGUUTRLCJRS-UHFFFAOYSA-N 424.522 3.888 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCC2 17090754 ATMJZYCOALUMSX-GJZGRUSLSA-N 416.543 3.905 0 50 HHAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3coc(COc4cccc5cccnc45)n3)C2)n1 67673734 JROZHGJUPDJSSM-GOSISDBHSA-N 417.469 3.702 0 50 HHAA CCOc1ccc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)cc1 104558936 VZJSDKBTQGQFNB-HSZRJFAPSA-N 420.557 3.544 0 50 HHAA CN(C)Cc1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1Br 170604617 CIQKFYRYBGXDHD-UHFFFAOYSA-N 424.383 3.734 0 50 HHAA O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCN(CC(F)(F)F)C1=O 170625514 LIRNICNSKAJZSM-KMOQFTEPSA-N 414.733 3.651 0 50 HHAA COc1ccc(CN(CCc2ccccn2)c2nc(C(C)C)nc(N(C)C)n2)cc1 225462295 DMFJICDPTUKNDW-UHFFFAOYSA-N 406.534 3.714 0 50 HHAA O=C([C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC[C@H](c2ccccc2)CC1 299773435 BABYOUMPRRCIOK-WMZHIEFXSA-N 406.482 3.899 0 50 HHAA C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 301434649 LSWFXTNPDRUIHJ-DGCLKSJQSA-N 402.413 3.874 0 50 HHAA CN1C(=O)COc2ccc(NC(=O)N3CCC[C@@]4(CCCc5ccccc54)C3)cc21 440291150 NEVJUNDHJKJYAK-DEOSSOPVSA-N 405.498 3.944 0 50 HHAA O=C(N[C@H](c1ccccc1)c1nc[nH]n1)c1ccnc(Oc2ccc(F)cc2F)c1 447551745 SLBDEZXKGWCAKF-LJQANCHMSA-N 407.380 3.790 0 50 HHAA CCc1ccc2nc(C)cc(C(=O)N3CCC(C(=O)NCc4ccco4)CC3)c2c1 823528228 BIIJITIHAMDGHA-UHFFFAOYSA-N 405.498 3.867 0 50 HHAA COc1ccc(SC)c(OC)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1C 1462132830 YSWCJCSUCJEQEY-SJLPKXTDSA-N 414.571 3.924 0 50 HHAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccc(Cl)c(Cl)c2)cc1OC 1529167302 IWANSFUGGOTMDL-WOJBJXKFSA-N 412.313 3.945 0 50 HHAA Cn1ncc(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)c1Cc1ccccc1 2325840826 SDZZBNBUTHSELC-DZFGPLHGSA-N 422.326 3.842 0 50 HHAA CCOc1cc(-c2ccccc2)sc1C(=O)N[C@H](Cc1ccccc1O)C(=O)O 2325851740 HSPQUSZYHWBCEM-MRXNPFEDSA-N 411.479 3.945 0 50 HHAA CC[C@H]1CC[C@H](C(=O)N2CCCCC[C@@H](NC(=O)c3cccc(C(N)=O)c3)C2)CC1 2325864568 SQUZXCBOIVWXPC-DBXWQHBBSA-N 413.562 3.503 0 50 HHAA CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)c1 644525 VMZQODAAEJANPX-UHFFFAOYSA-N 418.559 3.612 0 50 HHAA COc1ccc(Cl)cc1NC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 678954 COBCLZRLKFGCRJ-UHFFFAOYSA-N 410.879 3.501 0 50 HHAA O=C(OC[C@@H]1CC(c2ccccc2)=NO1)c1ccc(I)cc1 1068821 RQQCFPBCLFMIED-HNNXBMFYSA-N 407.207 3.641 0 50 HHAA Cc1cc(I)ccc1NC(=O)c1cc(=O)c2ccccc2o1 1137330 UJLWXNHVXPMFFZ-UHFFFAOYSA-N 405.191 3.958 0 50 HHAA COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C(C)C)cc3n2)cc1Cl 1166304 SIPPJACPHNZJKU-UHFFFAOYSA-N 417.922 3.860 0 50 HHAA O=S(=O)(c1ccccc1)N(C[C@H](O)CN1CCCCC1)c1cccc2ccccc12 5022560 WTZFAWWTWNWLNK-OAQYLSRUSA-N 424.566 3.882 0 50 HHAA COC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1 5102189 QTQBTXQRYDWWJF-LTGZKZEYSA-N 400.434 3.883 0 50 HHAA CCCCC(=O)N[C@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl 5261148 TWBRUIWSNZUBCS-CYBMUJFWSA-N 412.770 3.984 0 50 HHAA CCc1cc(C(=O)OC)c(NC(=S)NCCc2ccc(OC)c(OC)c2)s1 6708463 ZDELZRCXGGUBJU-UHFFFAOYSA-N 408.545 3.643 0 50 HHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)[C@@H]1Cc3ccccc3O1)O2 11788798 ARBPLWCGPWLODI-NLFFAJNJSA-N 413.473 3.980 0 50 HHAA Cc1nc(C)c(C(=O)NC[C@@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)s1 12042580 WWGAJWPPBLGJCS-HNNXBMFYSA-N 400.891 3.604 0 50 HHAA O=C(NC[C@H]1CCCN(C(=O)c2cccc3nccnc23)C1)c1ccccc1Cl 12709520 OHFLPBHCHDYOCM-OAHLLOKOSA-N 408.889 3.565 0 50 HHAA CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccccc1)CC2 14537281 PQMNJLORZUJOCR-UHFFFAOYSA-N 420.557 3.927 0 50 HHAA CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccccc1Cl)C2 14740950 WVHGKABSSPSKBX-QGZVFWFLSA-N 400.954 3.830 0 50 HHAA Cn1c(CN2CCN(c3ccccc3NC(=O)c3ccco3)CC2)nc2ccccc21 20428275 BBQUSIVDWLMQKD-UHFFFAOYSA-N 415.497 3.741 0 50 HHAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCN(CCOCCO)CC1 22077710 YGXDPORWCUHKEQ-UHFFFAOYSA-N 424.541 3.543 0 50 HHAA COc1ccc(-c2nnsc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 36357747 GQJGVGIBHOKLRB-UHFFFAOYSA-N 414.918 3.830 0 50 HHAA O=C(Nc1nnc(-c2cccs2)s1)N1CCc2nc[nH]c2[C@H]1c1ccccn1 55089438 KFASBHVPOIAPQS-OAHLLOKOSA-N 409.500 3.564 0 50 HHAA O=C(c1ccccc1N1CCOCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 61111259 QSQKVSBFAZNZQF-UHFFFAOYSA-N 419.447 3.504 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4cccc(Cl)c4)ccn3n2)cc1 263618057 RAEVGTJQZQSTMH-OAQYLSRUSA-N 409.873 3.949 0 50 HHAA COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H](N2CCCC2)C4)c1 299762596 XNBZPSJPWSBLFK-QGZVFWFLSA-N 409.555 3.662 0 50 HHAA c1ccc([C@@H](CNc2cc(N3CCOCC3)ncn2)N2CCc3sccc3C2)cc1 302797250 QTLCEFBMQKVZAD-HXUWFJFHSA-N 421.570 3.586 0 50 HHAA Cc1cc(C)c(CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)cn1 426358313 MLVJAVRVJPWDJJ-UHFFFAOYSA-N 410.543 3.853 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)NCC[C@@H]3CCCCO3)csc2C1 426547592 ICDWMGBOMDJJQA-INIZCTEOSA-N 403.548 3.600 0 50 HHAA Cc1nc(C)n(Cc2cccc(NC(=O)N3CCC[C@@H](CN4CCC(C)CC4)C3)c2)n1 428785336 ZKVHEZDPULUPLY-QFIPXVFZSA-N 424.593 3.919 0 50 HHAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cc(C)c3ccccc3n1)CC2 431994365 VCUPERIHFGRLPF-FQEVSTJZSA-N 420.465 3.775 0 50 HHAA Cc1ccc(CNC(=O)c2oc3ccccc3c2CN(C)C)c(O[C@H]2CCOC2)c1 468416657 BVRXKKLBBLHIHK-SFHVURJKSA-N 408.498 3.901 0 50 HHAA O=C(CCC(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12)NC1CCCCCC1 1615740033 QFDRZCVWPWUWET-CVDCTZTESA-N 423.557 3.528 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3cccc(Cn4cccn4)c3)CC1)OCC2 1704350756 OJHFEZPCGSYFIN-UHFFFAOYSA-N 417.509 3.644 0 50 HHAA N=c1ccc(C(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)c[nH]1 1857705140 USRNOXCYMCSWRI-QFIPXVFZSA-N 422.573 3.596 0 50 HHAA c1cc2c(cc1-c1nnc(N3C[C@H]4C5CCC(CC5)[C@H]4C3)n1CC1CC1)OCCO2 2325840369 ZJWPINPHUBARJH-HCABLIJQSA-N 406.530 3.999 0 50 HHAA O=S(=O)(c1ccc(Cc2nc(-c3cncc(Cl)c3)no2)cc1)N1CCCCC1 2325849826 BIOBSLLLNJZRND-UHFFFAOYSA-N 418.906 3.550 0 50 HHAA O=C1CCc2c1cccc2C(=O)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356141914 VYPWIHOTJSFFOG-SANMLTNESA-N 416.521 3.655 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc4cc[nH]c4c3)CC1)OCC2 2356143877 ZDJCNDVSKKPGDS-UHFFFAOYSA-N 406.482 3.889 0 50 HHAA Cc1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 856997 QLFRPNKMUQYUKT-UHFFFAOYSA-N 408.523 3.502 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccccn4)C3)[C@@H]3CCCCN23)c1 2356144659 HULMTZHESBNFHV-SHBJFUFKSA-N 405.542 3.648 0 50 HHAA CCC(=O)Nc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)s1 2846611 DYDXJDALROUBFT-UHFFFAOYSA-N 412.540 3.885 0 50 HHAA O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 4679800 KHQBLGXKDHEXLY-QPJJXVBHSA-N 421.560 3.895 0 50 HHAA C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21 6669882 QHGQAVUFAQYWRH-KRWDZBQOSA-N 417.509 3.646 0 50 HHAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1 225543236 LJABFPSYELZVKP-UHFFFAOYSA-N 408.951 3.785 0 50 HHAA CCOc1ccccc1N1C(=O)C[C@@H](Sc2nc(C)c3cc(OC)ccc3n2)C1=O 100629622 KDMKIXCQDDHJOM-LJQANCHMSA-N 423.494 3.770 0 50 HHAA COc1ccc(-c2coc3cc(OC(=O)[C@H](N)Cc4ccccc4)ccc3c2=O)cc1 22589085 QCFHTTMYZNYKII-JOCHJYFZSA-N 415.445 3.944 0 50 HHAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(CSc3ccccc3)cc2)C1 65363415 LLJDURJKVOOWEM-KRWDZBQOSA-N 404.557 3.589 0 50 HHAA Cc1cccc2cc(CN(CCN(C)C)C(=O)c3ccccc3F)c(N(C)C)nc12 12078712 FUIYXTCEXSLDRP-UHFFFAOYSA-N 408.521 3.952 0 50 HHAA COc1ccc(C(=O)C[C@@H](C)C(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 170617304 XNMTUYKQFSZDID-UYAOXDASSA-N 423.509 3.539 0 50 HHAA CCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1-c1cccs1 6451394 ZXPXFVOLKIHBOS-UHFFFAOYSA-N 408.530 3.605 0 50 HHAA CCc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)c1 72139186 NBSXXYOLRJMXCA-UHFFFAOYSA-N 417.517 3.840 0 50 HHAA O=C(O)C1(Oc2ccc3ccccc3c2)CCN(C2CSCCSC2)CC1 82106868 ZMXBNSNLNXJAHT-UHFFFAOYSA-N 403.569 3.986 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 17082909 OLISTOKEPCXXGI-KBPBESRZSA-N 404.532 3.739 0 50 HHAA O=C1NCC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)CC2)O1 426503029 OQRSHBDDQIBPQY-UHFFFAOYSA-N 405.429 3.756 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)Cc3ccccn3)csc2C1 426498786 XKEIZISHFSIAJK-CQSZACIVSA-N 410.543 3.667 0 50 HHAA COc1ccc2cc(CNCCN3CCCCC3)c(=O)n(Cc3ccccc3F)c2c1 299764684 CISQPYLCQCAYPH-UHFFFAOYSA-N 423.532 3.773 0 50 HHAA Cc1noc(-c2ccc(S(=O)(=O)N(C)C[C@@H]3CCN(c4ccccc4)C3)o2)c1C 952966686 JEMWODHTMSUBGA-KRWDZBQOSA-N 415.515 3.698 0 50 HHAA CN(C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)C1CCOCC1 11662003 KRXKGDODYXHRJU-UHFFFAOYSA-N 405.498 3.897 0 50 HHAA CCCCc1nc(CN2CCC3(CC2)C[C@H]3C(=O)NCCc2ccccc2OC)c[nH]1 11785235 BGYBSVAVBCFXPZ-NRFANRHFSA-N 424.589 3.722 0 50 HHAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccccc2N(C)C)C1 11873497 WGTSNFNHLLTOBJ-FQEVSTJZSA-N 409.574 3.788 0 50 HHAA O=C(NCc1c[nH]nc1-c1ccccc1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 11936383 SBBJSUIXWBIMEK-NRFANRHFSA-N 416.525 3.564 0 50 HHAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2cccs2)O3)cc1 12041538 XBEWCSNANWFSOK-KRWDZBQOSA-N 413.520 3.552 0 50 HHAA O[C@H](COc1ccc(Cl)cc1CNCc1cccnc1)CN1CCCCCC1 12306303 PSUDLHHDWKEHFU-NRFANRHFSA-N 403.954 3.641 0 50 HHAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3cscn3)cc2)n1 12574820 ZFBFWMBMJCQKTR-LJQANCHMSA-N 409.515 3.579 0 50 HHAA COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@@H](O)CN(C)C(C)C 12713404 SKDABFLQZRSZOX-FQEVSTJZSA-N 406.954 3.718 0 50 HHAA CCN(CC)C(=O)c1sc2ncnc(NC[C@@H]3COc4ccccc4O3)c2c1C 12026014 RMGSCOTWZSUZCX-CQSZACIVSA-N 412.515 3.734 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(F)c3)n2)ccc1C 16624923 MDNYSPJYZXHMTJ-OAHLLOKOSA-N 422.460 3.906 0 50 HHAA Cc1cn2nc(C(=O)NCc3ccccc3C(F)(F)F)cc2c(N2CCCC2)n1 169768729 WCPYTBHZULGXKW-UHFFFAOYSA-N 403.408 3.587 0 50 HHAA COc1cccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)no2)c1OC 169769308 MVBKRBZUNOUMRX-SFHVURJKSA-N 419.441 3.592 0 50 HHAA COc1cc(Cl)c(CN2CCC3(CC2)C[C@](C)(O)CCO3)c(Cl)c1OC 1704328261 LSRZYERQCRBSTG-GOSISDBHSA-N 404.334 3.907 0 50 HHAA Cc1csc(-c2nc([C@@H]3CCCCN(C)C3=O)n(-c3ccc4nc(C)[nH]c4c3)n2)n1 1875348623 XBBMWWLKXDIVDR-HNNXBMFYSA-N 421.530 3.610 0 50 HHAA CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)N(C)C1=S 1115106 GQSMRZZAQNCFJU-BOPFTXTBSA-N 400.475 3.833 0 50 HHAA COc1cc([C@H]2NCC3(CCCC3)c3cc4c(cc32)OCCO4)cc(OC)c1OC 2106065 MNSJXCLIYPYURP-JOCHJYFZSA-N 411.498 3.988 0 50 HHAA biogenic CO[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 2857146 RWHBUJHLWXHUBF-FQEVSTJZSA-N 402.516 3.578 0 50 HHAA Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 2860305 VGQICKLVSLKKSJ-UHFFFAOYSA-N 413.948 3.656 0 50 HHAA Cc1ccc2c(c1)N(CC(=O)Nc1c(C)cc(Br)cc1C)C(=O)CO2 10820628 HFKULICOYSBOSG-UHFFFAOYSA-N 403.276 3.738 0 50 HHAA Cc1nn(C)cc1[C@@H](C)NC1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 11911040 VDIKRMWWARNSPX-QGZVFWFLSA-N 409.578 3.721 0 50 HHAA CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)Cc1nc2ccc(F)cc2[nH]1 12303449 JDNJRQRRSUJAHH-UHFFFAOYSA-N 422.508 3.854 0 50 HHAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2ccncc2)CC1 12305650 HZYKYMVJTIPTBQ-RUZDIDTESA-N 421.585 3.852 0 50 HHAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccsc1)CC2 14755920 SUGRNIWERAXPPK-UHFFFAOYSA-N 412.559 3.598 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCCN1Cc1ccc2c(c1)CCO2 15061585 VSVSKAQCOIPQBS-JOCHJYFZSA-N 402.498 3.800 0 50 HHAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20406368 YOMZQNGQEUTCJA-SFHVURJKSA-N 424.541 3.825 0 50 HHAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3Cc5ccccc5C3)[C@@H]4C2=O)cc1 77471465 RCRCZZOJNWBBFE-JTKRFKOTSA-N 414.505 3.639 0 50 HHAA CC(C)c1nnc(N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)s1 95509947 JYFYKXJTVLERBF-QGZVFWFLSA-N 401.580 3.754 0 50 HHAA COc1ccc(CN2CNc3nc(C)c(Cc4ccc(Cl)cc4)c(=O)n3C2)cc1 100161586 QBBLJGBPDNTBSD-UHFFFAOYSA-N 410.905 3.647 0 50 HHAA CC[C@H](C(=O)NCc1nnc2ccc(-c3ccc(OC)cc3)nn12)c1ccccc1 169781390 XQEUDCHUIKNKAT-IBGZPJMESA-N 401.470 3.610 0 50 HHAA C[C@H](NC(=O)CSc1nc(O)cc(C2CC2)n1)c1ccc(Br)cc1 170605458 IBHKIRWDRKZLFX-JTQLQIEISA-N 408.321 3.792 0 50 HHAA CCN1[C@H](c2ccc(Cl)cc2)[C@H](CNC2CCN(C(C)C)CC2)C[C@]1(C)CO 248037838 ZPLXTCVQMDNBPM-WWPVKYPJSA-N 408.030 3.936 0 50 HHAA O=C([C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC[C@@H](c2ccccc2)CC1 299773436 BABYOUMPRRCIOK-XXBNENTESA-N 406.482 3.899 0 50 HHAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)c2ccc(-c3cccc(F)c3)cc2)N1 1506410810 XPRHQRXXMICMKI-QFIPXVFZSA-N 403.457 3.809 0 50 HHAA COCCc1noc([C@H]2CCCCN2Cc2nc(-c3ccccc3Cl)no2)n1 1529169003 PTKHJRGDJJYFBD-OAHLLOKOSA-N 403.870 3.689 0 50 HHAA COc1ccc(-n2ccnc2CN2C[C@H]3CNC[C@]3(CCc3ccccc3)C2)cc1 1772813188 VCCXGZXOHVVEEC-PXDATVDWSA-N 402.542 3.535 0 50 HHAA C[C@@H](NC(=O)c1cc2c(s1)CCOC21CCNCC1)c1nc2c(s1)CCCC2 1857693450 XKJGIOOYIRUNIU-CYBMUJFWSA-N 417.600 3.726 0 50 HHAA Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 1875316351 KVCHVDBPCHRFBH-QWHCGFSZSA-N 421.423 3.816 0 50 HHAA C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(C)(C)Oc1cccc(-c2nc(=O)o[nH]2)c1 2325849928 GCWFQEORUJKURW-OXJNMPFZSA-N 421.497 3.982 0 50 HHAA O=S(=O)(NC[C@H]1CCN(c2ccccc2)C1)c1cnc(-c2ccc(F)cc2)s1 2325879554 ZDDZIBBONUQOFZ-OAHLLOKOSA-N 417.531 3.754 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 627313 KOWLVKPXBGSMLF-SFHVURJKSA-N 408.523 3.785 0 50 HHAA O=C(Nc1ccc(Br)cc1)[C@@H]1CC=CC[C@H]1C(=O)OC[C@H]1CCCO1 786358 VWJCKJXYRBQCHE-BRWVUGGUSA-N 408.292 3.692 0 50 HHAA CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1 1056615 HWZCCQXZTIZSMW-UHFFFAOYSA-N 417.331 3.776 0 50 HHAA COc1ccc(N([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 1119326 PCLAVBJNGAYSJY-GFCCVEGCSA-N 416.421 3.507 0 50 HHAA O=c1c2ccccc2nc(SCc2cc(=O)n3ccccc3n2)n1C1CCCC1 2971367 YOCCTWICQBLAEO-UHFFFAOYSA-N 404.495 3.812 0 50 HHAA CCN(CC)C(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 2994368 QLJVHVZUFYTDNB-UHFFFAOYSA-N 408.951 3.708 0 50 HHAA Cc1nnc(SCC(=O)NCCOc2ccc(Cl)cc2)n1-c1ccccc1 3003681 WOQWBTRZOXCETB-UHFFFAOYSA-N 402.907 3.516 0 50 HHAA C[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)Cc1cccc(F)c1 225560210 MFRDBWRXVUABJC-KZNAEPCWSA-N 416.512 3.985 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 101268074 BBDZXTPMYXECLD-HSALFYBXSA-N 406.463 3.808 0 50 HHAA CCOC(=O)C12CC3C[C@@H](C1)C(NC(=O)c1cccc(Br)c1)[C@@H](C3)C2 100429980 XTIZQSJHWUWRNY-FGKPJDCPSA-N 406.320 3.937 0 50 HHAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 20472344 SIKBBGYZQNVBHQ-UHFFFAOYSA-N 408.951 3.554 0 50 HHAA CCc1[nH]c(C(=O)N(C)C[C@H]2CCN(Cc3ccc(C)s3)C2)c(C)c1C(=O)OC 328591654 GNOUXKGRBFBCQD-MRXNPFEDSA-N 417.575 3.636 0 50 HHAA Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccoc4C4(O)CCOCC4)n3)c2)n1 328595913 KADFLWWUMFCWPD-UHFFFAOYSA-N 420.469 3.856 0 50 HHAA COc1cccc(-c2nc3cc4c(cc3cc2CN2CCCOCC2)OCO4)c1OC 72448152 GNEDFDPUEREYCZ-UHFFFAOYSA-N 422.481 3.870 0 50 HHAA O=C(Nc1ccc(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1)[C@@H]1CCCO1 478236517 ZCAYEZBIOUZDBR-SFTDATJTSA-N 408.502 3.913 0 50 HHAA COc1ccc(C[C@H](CO)CNC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1O 480619724 XWPBAPNDQZGRLB-LBPRGKRZSA-N 416.371 3.531 0 50 HHAA O=C(CCn1c(=O)nc(O)c2ccccc21)N1CCc2cc(-c3ccccc3)ccc21 482759560 VWPZTAUJUKQOFD-UHFFFAOYSA-N 411.461 3.749 0 50 HHAA CO[C@@H]1C[C@H](C(=O)O)N(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)C1 237152227 DTYAVDJPVFTJJE-OXQOHEQNSA-N 410.445 3.607 0 50 HHAA Cc1c(C)c(C)c(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)c(C)c1C 17083011 OWRPVVXQNLUXEX-UHFFFAOYSA-N 404.551 3.874 0 50 HHAA CCC(=O)N(c1nnc(S[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1)C1CC1 242048145 VTFUGOBSIMESFP-USRAEIGSSA-N 422.620 3.865 0 50 HHAA Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN5CCC[C@H]5C4)cc3)sc2c1 239174418 PZSUYMXJTDFDJP-IBGZPJMESA-N 406.555 3.990 0 50 HHAA O=C1NCCN(C(=O)c2ccc(CSc3ccccn3)cc2)[C@@H]1c1cccc(F)c1 826609064 ZUPPRQJOPDQHRX-OAQYLSRUSA-N 421.497 3.826 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)cc1 952869965 RGJPNKKYFCOAPD-GOSISDBHSA-N 417.465 3.870 0 50 HHAA COc1ccc(-c2nnc(SCOC(=O)C(C)(C)C)n2C[C@@H]2CCCO2)cc1 170591381 LUWMVKFWMIHFAX-INIZCTEOSA-N 405.520 3.772 0 50 HHAA O=C(CCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)NC1CCCCCC1 1529195911 QFDRZCVWPWUWET-XXBNENTESA-N 423.557 3.528 0 50 HHAA O=C(c1cccc2ccccc12)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697509 HIINTTPTMCJODL-UHFFFAOYSA-N 410.481 3.731 0 50 HHAA O=C(Nc1ccnn1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1)C1CC1 11874226 HIGCBIZXGFEMQL-UHFFFAOYSA-N 405.502 3.509 0 50 HHAA O=C(c1[nH]nc2c1CCCC2)N(CC1CCN(C2CCCC2)CC1)C[C@H]1CCCO1 11935086 MWNWQNFSNKKBOH-HXUWFJFHSA-N 414.594 3.564 0 50 HHAA COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cccc(C)n3)C2)c(OC)c1 11938461 BPDUEVDUVPMVPE-LJQANCHMSA-N 411.546 3.716 0 50 HHAA O=C(NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1)C1(c2ccc(Cl)cc2)CC1 12040405 KWBLYUBILPEWIS-IBGZPJMESA-N 405.885 3.949 0 50 HHAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)c2cccc(N3CCNC3=O)c2)c1C 12576234 ARMAWWWBZOPYOY-INIZCTEOSA-N 403.486 3.510 0 50 HHAA Cc1ccc2nc(C(=O)Nc3cccc(C(=O)N4CCC[C@@H](CO)C4)c3)ccc2c1 498047204 NNUMTQOCHCSXOA-QGZVFWFLSA-N 403.482 3.640 0 50 HHAA CC(=O)Nc1ccc(NC(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1 499150080 NCFYMIBHYQVIDU-GOSISDBHSA-N 405.401 3.852 0 50 HHAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc1OC 4189457 GLYGYSYYNZWBQD-HXUWFJFHSA-N 402.491 3.988 0 50 HHAA Cc1ccc(N(Cc2ccc(C(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1C 1100079 YVOIYEWDEKFZAT-UHFFFAOYSA-N 409.511 3.917 0 50 HHAA O=C1N/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1c1cccc(Cl)c1 1134743 DNWYFLBDWLTPKW-PQMHYQBVSA-N 421.634 3.929 0 50 HHAA O=C(Nc1cccnc1)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 1163968 JFKXBGJPQQHLSD-UHFFFAOYSA-N 400.419 3.744 0 50 HHAA O=C1[C@@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 1194631 XJWQXTYMUUIGLZ-LQDNNDEMSA-N 415.876 3.883 0 50 HHAA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccccc2F)NC(=O)N1 1208486 AZYXVZSJWITXGB-INIZCTEOSA-N 404.239 3.855 0 50 HHAA CCOc1ccccc1N(CC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 2855066 CAHKEJALSQUWAN-UHFFFAOYSA-N 404.532 3.922 0 50 HHAA COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OC)NC2=S)cc1 8399616 ZRJPNJRBPWVSNX-GDNBJRDFSA-N 419.300 3.729 0 50 HHAA CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 9225100 AASUKBZMHJVKFV-UHFFFAOYSA-N 418.405 3.505 0 50 HHAA CCc1n[nH]c(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)c1C 12195608 FMQZJHKPGUVOHX-KRWDZBQOSA-N 412.534 3.869 0 50 HHAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 12432131 DDYGCZDQFSHLKV-UHFFFAOYSA-N 424.867 3.577 0 50 HHAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)CC1 12441858 XFFYZTIUGKWVPJ-QHCPKHFHSA-N 422.525 3.510 0 50 HHAA COc1cc(CNCc2cccc(F)c2)ccc1OC[C@@H](O)CN1CCCCCC1 15063038 JJJBDWRRDLIKSF-QFIPXVFZSA-N 416.537 3.740 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 17091506 OCFLZJXDSMDXAV-YUELXQCFSA-N 418.559 3.985 0 50 HHAA Cc1cc2cc(CNC(=O)[C@H]3CCC(=O)N(CCCc4ccccc4)C3)ccc2[nH]1 20515312 QFVQAMUMIMWWKY-NRFANRHFSA-N 403.526 3.964 0 50 HHAA CN(C)c1nc(Cl)c(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)s1 22914350 JCNKMFIMNSOLFX-SFHVURJKSA-N 420.026 3.649 0 50 HHAA CCNc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(C)n1 65363255 XTVUEPWFSWVCMT-UHFFFAOYSA-N 408.428 3.590 0 50 HHAA CCOc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccccc5OC)no4)c3CO2)cc1 169758426 VNYLRAZCXGPJCD-LJQANCHMSA-N 419.441 3.674 0 50 HHAA CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=N)N(c3ccccc3C)C2=O)cc1 170623867 WDBICNVICXWEDB-QGZVFWFLSA-N 411.483 3.584 0 50 HHAA CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 227309159 DNLKODGNLMHUES-DJPFJPOOSA-N 401.869 3.899 0 50 HHAA O=C(O)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1 238199827 HNVDZSYKDRMEDP-LEWJYISDSA-N 402.450 3.787 0 50 HHAA COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2csc(Cc3cccc(F)c3)n2)C1 253419388 RLVNFOFZFIHAER-QHCPKHFHSA-N 424.497 3.830 0 50 HHAA CC(C)c1ccc(C2(C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)CCCC2)cc1 460448651 LYPGLYKCLYNYAK-FQEVSTJZSA-N 408.546 3.667 0 50 HHAA COc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1C(=O)N(C)C 824704453 QVGCAHRCFUFUJH-UHFFFAOYSA-N 406.486 3.511 0 50 HHAA O=C(Nc1ccccc1C(=O)N1CCCCC1)N[C@@H]1COc2c(F)cc(F)cc2C1 1345085552 RBRRDGYENSMLGG-INIZCTEOSA-N 415.440 3.716 0 50 HHAA Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)on1 1506413712 LSRPHVCGCCCPHX-NSHDSACASA-N 416.381 3.511 0 50 HHAA CN(C)S(=O)(=O)Nc1cccc(-n2ccnc2-c2ccc(CC(F)(F)F)cc2)c1 1857688020 PLHFZQPRVZPXMU-UHFFFAOYSA-N 424.448 3.862 0 50 HHAA Cc1ccccc1[C@H](CC(=O)N[C@H]1C[C@@H]1Cc1ccc(C(F)(F)F)cc1)NC(N)=O 1875261674 DDGWOYFXHOUQSW-SNRMKQJTSA-N 419.447 3.861 0 50 HHAA Cc1nnc2n1C[C@H](CNC(=O)c1ccc(-c3cnc4cc(F)ccc4c3)cc1)C2 2356138069 GTWIEYOENLPDLY-HNNXBMFYSA-N 401.445 3.543 0 50 HHAA CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1F 1143485 WMPSOGDZQPHJCJ-UHFFFAOYSA-N 400.479 3.767 0 50 HHAA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)Cc1ccccc1 1183407 AOLQHAHLJLMRLW-UHFFFAOYSA-N 401.495 3.785 0 50 HHAA O=C(NCCOc1ccccc1Cl)c1ccccc1I 2873287 YYSKKJLDMOAICV-UHFFFAOYSA-N 401.631 3.753 0 50 HHAA CSc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)cc1 4755823 HQCWXFOTJRTBCM-LTGZKZEYSA-N 420.538 3.582 0 50 HHAA CCc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1 11697543 GSWWSHWRYOYSBW-UHFFFAOYSA-N 403.490 3.532 0 50 HHAA CC(C)N1CCC[C@H](C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)C1 11817140 RIPMJQGFORJIGI-QFIPXVFZSA-N 403.586 3.659 0 50 HHAA Cc1ccccc1CNCc1cc(NS(C)(=O)=O)cc(C(=O)Nc2ccccc2)c1 12246651 HDXKXBYMHJCLSD-UHFFFAOYSA-N 423.538 3.909 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCC[C@H]3c3nc4cc(F)ccc4[nH]3)n2)cc1 12316567 HDHMLYCYFOCSCU-SFHVURJKSA-N 421.432 3.876 0 50 HHAA CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 12444744 UCNHZPVICPTUAB-UHFFFAOYSA-N 420.517 3.735 0 50 HHAA O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)NCc1ccc(C(F)(F)F)cc1 12703689 XPYWPOKMHGAWQZ-UHFFFAOYSA-N 419.359 3.733 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@@H](C(N)=O)C2)cc1F 14964127 ZOVDFIXHXVANIA-GOSISDBHSA-N 422.504 3.693 0 50 HHAA Cc1nc(N2CCC(C(=O)N(C)C[C@@H]3CCCCO3)CC2)nc2cc3c(cc12)CCC3 14993101 HOVGDNFZAOLDJX-NRFANRHFSA-N 422.573 3.671 0 50 HHAA COC[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)C1 15074387 XYSUPHJPPSBDBK-HXUWFJFHSA-N 423.623 3.506 0 50 HHAA Cc1cccc2c(C(=O)NCCN3CCOCC3)cc(-c3ccc(Cl)cc3)nc12 20418365 NZJHWSRRIWPXDJ-UHFFFAOYSA-N 409.917 3.926 0 50 HHAA Cc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)nc(NC2CCCCC2)n1 65364403 QKEHNNHZJHERPY-UHFFFAOYSA-N 407.562 3.811 0 50 HHAA C[C@H](Cc1cccnc1)NC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67740445 GSDKOLBWPAXNGX-LJQANCHMSA-N 418.541 3.885 0 50 HHAA CNC1CCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CC1 77391465 QSDLLZRBYVZGJR-UHFFFAOYSA-N 410.562 3.542 0 50 HHAA Cc1ccc(CN(c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2)S(C)(=O)=O)cc1 101702048 DIFRKRHJIOHPSM-RCZSKKKRSA-N 412.555 3.880 0 50 HHAA COc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c(C)c1 169772419 MKNINXIEXDJKBO-UHFFFAOYSA-N 408.424 3.520 0 50 HHAA Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(O)cc1I 225434685 ZSAJWQUZNGAOGK-UHFFFAOYSA-N 424.194 3.734 0 50 HHAA Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NC[C@H]4CCCO4)cc3N2)cc1 239125183 KBDSXPOYXRGAKL-HLLBOEOZSA-N 408.424 3.761 0 50 HHAA CCC[C@]1(C(=O)OCC)CCCN1S(=O)(=O)c1ccc(OC2CCCC2)cc1 1463640675 SIFSVQZZWTYPHE-OAQYLSRUSA-N 409.548 3.895 0 50 HHAA O=C(OCc1ccccc1)N1CC[C@]2(C[C@@H]2C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)C1 2325873721 QVZZDWUOWJUBQT-LFAGZIFBSA-N 420.509 3.757 0 50 HHAA Cc1ccc(O)cc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356147434 WIQJGDDAJYLVBI-SHBJFUFKSA-N 418.537 3.785 0 50 HHAA COc1cc(Br)c([C@@H]2OC(=O)Cc3cc(OC)c(OC)cc32)cc1OC 838854 LNQBPWBNUKUHOQ-LJQANCHMSA-N 423.259 3.672 0 50 HHAA CC[C@H](c1nc2ccccc2c(=O)n1-c1ccccn1)N1C(=O)c2ccccc2C1=O 1063872 VJJMWMKQSQUGDN-LJQANCHMSA-N 410.433 3.528 0 50 HHAA CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2cccnc2)cc1 1199230 WOASTPGNSOQWKN-UHFFFAOYSA-N 415.902 3.954 0 50 HHAA O=C1OCC2=C1[C@@H](c1cccc(Br)c1)CC(=O)N2c1ccc(F)cc1 1427690 RDTIXFQHPSXQIC-OAHLLOKOSA-N 402.219 3.920 0 50 HHAA CC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1 4809444 MTWQYDPPWLQHAI-UHFFFAOYSA-N 401.488 3.708 0 50 HHAA CC[C@H](CO)NCc1cc(OC)c(OCCc2ccccc2)cc1Br 5065282 HCQNABIGGQPROO-QGZVFWFLSA-N 408.336 3.940 0 50 HHAA CCOc1ccc2nc(N3CCC[C@H](NCc4cnn(CC)c4)CC3)nc(C)c2c1 14953639 XSMOMBTZJUNJTL-IBGZPJMESA-N 408.550 3.702 0 50 HHAA CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)s1 16448673 LFQNLJJJFQLJOJ-UHFFFAOYSA-N 421.479 3.684 0 50 HHAA CCNC(=O)[C@@H]1C[C@@H](NCc2cccc(F)c2)CN1Cc1ccc2ccccc2c1 39537816 XIWVDKICDVPMRW-RPWUZVMVSA-N 405.517 3.848 0 50 HHAA CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(Br)cc2)CC1 40443189 YRZKFSDUCCEPDV-UHFFFAOYSA-N 404.326 3.622 0 50 HHAA COc1ccc(-n2ccnc2CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 42963179 ULCWJGDDZDFKNT-DEOSSOPVSA-N 409.505 3.837 0 50 HHAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H]2CCc3ccccc32)c1 77351959 LZXSGFYOQMNFQV-QFIPXVFZSA-N 408.498 3.502 0 50 HHAA O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2 101222534 FKSSXKPJONRIDC-FTRWYGJKSA-N 418.946 3.840 0 50 HHAA COc1ccc([C@H](C)NC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1 169780187 LQARMMFPWGAURO-ZDUSSCGKSA-N 422.451 3.906 0 50 HHAA O=C1N[C@H](c2c(F)cccc2Cl)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 170595629 MQQPRDGKIBHENW-VBQJREDUSA-N 416.758 3.583 0 50 HHAA O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 225746828 IVFPJHMLDGJCJE-KUDNYVPYSA-N 406.269 3.700 0 50 HHAA O=C(O)CC[C@H]1CN(CC(c2ccccc2)c2ccccc2)CC[C@H]1N1CCOCC1 299800863 WCUMKRZZVZTGQZ-UKILVPOCSA-N 422.569 3.706 0 50 HHAA C[C@](O)(CN1CCc2c(Cl)cc(Cl)cc2C1)c1ccc(S(C)(=O)=O)cc1 777603547 AOVLISUAIYZCRK-IBGZPJMESA-N 414.354 3.663 0 50 HHAA CN1CCC(Oc2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccccc3)cc2)CC1 952980511 XEJAKYLLUNQOAU-HSZRJFAPSA-N 421.541 3.793 0 50 HHAA CC(C)(C)[C@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C[C@@H](c2ccccc2)O1 1857721191 DIPVZAUWMXMIJR-LEWJYISDSA-N 415.555 3.647 0 50 HHAA O=C(O)C[C@@H]1C[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)CO1 1857783552 XSGVESBLDAPUMH-VOIUYBSRSA-N 407.466 3.891 0 50 HHAA C[C@H](c1ccc(-c2cncnc2)cc1)N1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1875257593 HNZQXJQZSVZRKO-QRQCRPRQSA-N 411.465 3.849 0 50 HHAA CCC(C)(C)c1ccc(S(=O)(=O)NCCC(O)(C(F)(F)F)C(F)(F)F)cc1 1875309124 RYXMHTLVQLFTMT-UHFFFAOYSA-N 421.403 3.898 0 50 HHAA Cc1ccccc1Cc1nc(-c2ccc3nc(Cl)nn3c2)n(C2CCN(C)CC2)n1 1875347391 NHNUIULEPDJALR-UHFFFAOYSA-N 421.936 3.807 0 50 HHAA O=C(c1ccccc1)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 891558 IOEFFWBYOZNUMF-UHFFFAOYSA-N 424.497 3.568 0 50 HHAA CC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@H]1c1ccco1 1077355 FKSQBBJFRYDWFP-FQEVSTJZSA-N 409.467 3.778 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC1)OCC2 2356137669 UZKXXJCOYGSETO-UHFFFAOYSA-N 417.509 3.959 0 50 HHAA O=S(=O)(Nc1cn(Cc2ccccc2)nn1)c1c(Cl)cccc1C(F)(F)F 410333267 PZYIXKRARSZQBS-UHFFFAOYSA-N 416.812 3.799 0 50 HHAA Cn1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(-c2ccc3c(c2)OCCO3)n1 55243770 PGTYKWABHGMNOT-UHFFFAOYSA-N 424.932 3.834 0 50 HHAA COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(NCC5CC5)nc4)CC3)c2c1 469559395 XMFRFPQERHPCDZ-UHFFFAOYSA-N 404.514 4.413 0 50 HHAA CNC(=O)c1cc(Oc2cccc(NCc3noc(-c4scnc4C)n3)c2)ccn1 427417751 ZNKMYHWOMGAADA-UHFFFAOYSA-N 422.470 3.661 0 50 HHAA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)CC1 238899697 HBIHILGQENLYSC-MUGJNUQGSA-N 407.599 3.698 0 50 HHAA CCCc1sc(NC(=O)[C@H]2CC(=O)N(CC)C2)nc1-c1ccc(OCC)cc1 1940195959 YOXRCCMVDFWOJA-HNNXBMFYSA-N 401.532 3.968 0 50 HHAA CN(c1ccc(C(=O)N2CCCC[C@H]2CCc2cccs2)cc1)S(C)(=O)=O 952984810 SHCXXGFXSJPTGA-SFHVURJKSA-N 406.573 3.771 0 50 HHAA COc1cc(C(=O)Nc2ccc3oc(N4CCOCC4)nc3c2)ccc1OC(F)F 170620378 TUASBKMTCKVCDC-UHFFFAOYSA-N 419.384 3.527 0 50 HHAA Cc1ccc(CS(=O)(=O)Nc2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)c(F)c1 170618568 PCYAVCSRCCDXJY-RDTXWAMCSA-N 415.494 3.619 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@H](C(=O)N(C)CC[C@H]4CCCCO4)C3)nc2c1 11909699 CVJXUUIJPPOSPF-VQTJNVASSA-N 410.562 3.881 0 50 HHAA COc1ccccc1CCN1CCC(CN(C)C(=O)c2ccnc(Cl)c2)CC1 12585022 UNKKMWRFDDGCAN-UHFFFAOYSA-N 401.938 3.770 0 50 HHAA Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1C 13845399 OGENYZWLZJBAJK-NHCUHLMSSA-N 417.461 3.799 0 50 HHAA Cc1ccsc1CN1CCC([C@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1 14888280 WUQKOJUJTIPNCN-DEOSSOPVSA-N 423.582 3.746 0 50 HHAA Cc1ncc(C(=O)N2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)[nH]1 1857699599 VMVDBRSCEXGQDJ-OAQYLSRUSA-N 410.562 3.820 0 50 HHAA Cc1c(C(=O)OCCNc2c(C(C)C)cccc2C(C)C)nnn1-c1ccn(C)n1 2325825013 ZJMDWDDOPSLROS-UHFFFAOYSA-N 410.522 3.825 0 50 HHAA CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1475234117 CXFBQJGULGHPJV-NSISKUIASA-N 411.926 3.902 0 50 HHAA Cc1ccc(C(C)C)c(OC(=O)C[S@](=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 26894169 YHDRDKSIWVTTCZ-MUUNZHRXSA-N 406.416 3.648 0 50 HHAA CCOC(=O)c1sc(NC(=O)COc2cccc(CC)c2)c(C(=O)OCC)c1C 956483 NDXPIRGITQITQO-UHFFFAOYSA-N 419.499 3.990 0 50 HHAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cccc(Br)c2)n2ncnc2N1 1062043 MMVPJSQMXFLOJJ-GOSISDBHSA-N 424.302 3.646 0 50 HHAA C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl)c1ccccc1 1424234 IHJKAHZWCFPOTF-LLVKDONJSA-N 401.315 3.735 0 50 HHAA Cc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1C 2979072 FQRWEQFYNXEENX-UHFFFAOYSA-N 415.342 3.693 0 50 HHAA COc1cccc(NC(=O)CCC2CCN(Cc3cnc(SC)nc3)CC2)c1 11838884 CVMSQNMUUULUHQ-UHFFFAOYSA-N 400.548 3.838 0 50 HHAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2C(=O)C2CCOCC2)cc1 11840191 IQWDHJLFVMHLNW-JOCHJYFZSA-N 408.498 3.718 0 50 HHAA COCc1ccc(C(=O)N2CC[C@@]3(CCCN(Cc4cccc(F)c4F)C3)C2)o1 12052037 NQPDSDDOQSKYRK-JOCHJYFZSA-N 404.457 3.833 0 50 HHAA O=C(c1cccnc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12430090 KJNWHVLLYGEEOV-RUZDIDTESA-N 419.569 3.582 0 50 HHAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)Cn2nc(C)cc2C)C3)c1 14992495 PKGXAFCPOIMHOO-UHFFFAOYSA-N 421.497 3.605 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2n[nH]c3ccccc23)C1 15066523 BFXCWPCAOILHAS-XMMPIXPASA-N 405.498 3.900 0 50 HHAA CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)NCc1ccccc1 17088591 CITPPHVXLYYGCA-UHFFFAOYSA-N 410.543 3.902 0 50 HHAA O=C1CC[C@H](N2CCN(C3CCCCC3)CC2)CCN1Cc1ccc(F)cc1F 23359048 SNBDJDAOXPDRLC-NRFANRHFSA-N 405.533 3.796 0 50 HHAA COc1ccc(-c2nn3c(N4CCN(c5ccccn5)CC4)cc(C)nc3c2C)cc1 40216833 RRLJSOFTZQMCDT-UHFFFAOYSA-N 414.513 3.743 0 50 HHAA CSc1ncccc1C(=O)N1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 55196784 TVRLWCRMXKGPCK-LJQANCHMSA-N 410.587 3.539 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)NCC4(O)CCCCC4)csc3C2)nc1 426441683 BUASSRWHYAOBLL-UHFFFAOYSA-N 413.587 3.689 0 50 HHAA Cc1ccc(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c(Br)c1 431335180 WVBFAVLPWXCHIS-OAHLLOKOSA-N 401.304 3.883 0 50 HHAA CC(C)(C)Oc1cc(F)ccc1NC(=O)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 488958948 XVXNYMNQBXDUOJ-QGARXBGZSA-N 400.494 3.633 0 50 HHAA Cc1n[nH]c(C)c1CNC(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857700617 XLLCPUGCILQGOL-AWEZNQCLSA-N 401.898 3.744 0 50 HHAA CCCOc1ccccc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857709718 NHJPQZWZYCACHN-XMMPIXPASA-N 407.514 3.969 0 50 HHAA NC(=O)COc1ccc(-c2ccc(CNCc3cncc(-c4cccnc4)c3)cc2)cc1 1875333676 HEJPCRFHJKIROA-UHFFFAOYSA-N 424.504 3.965 0 50 HHAA Cn1ncc(C(=O)N[C@H]2COc3cc(Br)ccc32)c1Cc1ccccc1 2325840535 DTEKMXMLNXVELD-KRWDZBQOSA-N 412.287 3.637 0 50 HHAA O=C(NCCCCn1cc(-c2cccnc2F)nn1)C(F)(F)/C=C/c1ccccc1 2325870698 KXECZBKMEWEFOF-ZHACJKMWSA-N 415.419 3.724 0 50 HHAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc(OC)c1OC 706406 LDWHIWCEOJLHJE-IBGZPJMESA-N 418.490 3.606 0 50 HHAA biogenic O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCCC1)c1cccs1 867433 GVKIMCPEOHCVMJ-NTCAYCPXSA-N 405.317 3.904 0 50 HHAA COc1ccc([C@@H](NC(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 1130823 XEHFXLNSOVWWTE-QHCPKHFHSA-N 414.461 3.587 0 50 HHAA COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 1196684 VSHFWHZXLRNHLA-UHFFFAOYSA-N 408.907 3.776 0 50 HHAA O=C(N[C@H](C(=O)O)[C@H](O)c1ccccc1)OCC1c2ccccc2-c2ccccc21 2583314 UPEAXWJZGLFDFI-FCHUYYIVSA-N 403.434 3.712 0 50 HHAA Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1nccs1 2856971 GKEXVHOMBXRRLW-UHFFFAOYSA-N 409.537 3.575 0 50 HHAA COc1ccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1Cl 2878163 IDAFFEBYZRLBRM-UHFFFAOYSA-N 421.277 3.546 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 4163527 NPJKEALJGNVULE-COPLHBTASA-N 400.426 3.514 0 50 HHAA COc1ccc(Nc2nonc2-c2noc(NCc3ccc(OC)c(OC)c3)n2)cc1 12370932 BCTYFXTUUPIXJB-UHFFFAOYSA-N 424.417 3.501 0 50 HHAA COc1cccc(-c2nn(-c3ccccc3)cc2CNCc2cn3cccnc3n2)c1 12439310 SULFUVIXADZQTC-UHFFFAOYSA-N 410.481 3.880 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1ccccc1OC)C2 14754792 DRMNGJMLPYOREK-IBGZPJMESA-N 410.562 3.575 0 50 HHAA COc1ccc(C(=O)NCc2nc(C)cs2)cc1OC1CCN(C(C)C)CC1 14974832 XRYBAVMFQNARJM-UHFFFAOYSA-N 403.548 3.642 0 50 HHAA Cc1cc(-c2ccnc(-n3ncc(C(=O)N(C)[C@@H]4CCOC4)c3C3CC3)n2)c(C)s1 14999904 IKXOSGFEYSEHCW-MRXNPFEDSA-N 423.542 3.746 0 50 HHAA O=C(CCC1CCN(C2CCSCC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 15067751 WXARCCRKFBHKAW-JOCHJYFZSA-N 415.647 3.765 0 50 HHAA Cc1cccc(-c2ncc(CN3CCC(CCC(=O)NC[C@H]4CCCO4)CC3)cn2)c1 15071415 UMXSRAHVZCVFER-HSZRJFAPSA-N 422.573 3.739 0 50 HHAA CC(=O)N[C@H](C)CC(=O)Nc1nn(Cc2ccccc2)c2cc(OC(C)C)ccc12 77438201 PNEDTJWPCAXIFN-MRXNPFEDSA-N 408.502 3.725 0 50 HHAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1nc3ccccc3s1)C2 95364290 YXQRBGUKEYMPBA-HMFYCAOWSA-N 401.576 3.640 0 50 HHAA O=C(O[C@@H]1CCN(CCc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 96026673 GPQNKPHQEHQXEP-XMMPIXPASA-N 401.506 3.783 0 50 HHAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N[C@H]1CCCc2c1[nH]c1ccccc21 169781368 QGLYNBJBIYLSOH-NRFANRHFSA-N 416.456 3.725 0 50 HHAA C[C@@H](NC(=O)CSc1nc(O)cc(C2CC2)n1)c1ccc(Br)cc1 170605459 IBHKIRWDRKZLFX-SNVBAGLBSA-N 408.321 3.792 0 50 HHAA COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc(C)c1-c1ccccc1 239433060 XDSFXTQCNVBYLR-XJNFMUPTSA-N 411.479 3.972 0 50 HHAA COc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCCC1 241942373 ULZVQSSZINZVRN-ZIFCJYIRSA-N 420.575 3.568 0 50 HHAA Cc1cnc(C2CCN(C(=O)N[C@H]3CCN(c4ncccc4Cl)C3)CC2)s1 433423891 WNCRSXQJCDMIGP-HNNXBMFYSA-N 405.955 3.668 0 50 HHAA C[C@@H]1CN(c2cccc3cnccc23)CCN1CCC(=O)N1CCc2ccccc21 447382726 JDVQGAMYOHUOIM-LJQANCHMSA-N 400.526 3.725 0 50 HHAA CCN(CCCNC(=O)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1)c1ccccc1 476729925 KENQTARWBBUEQG-QFIPXVFZSA-N 409.509 3.864 0 50 HHAA C[C@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)c1ccccc1-n1cccn1 822273954 BLDJMRDHXNWSFQ-IHNWZIPXSA-N 416.529 3.637 0 50 HHAA C[C@H](C1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1)N1CCN(C)CC1 952972146 FGTSJEPMLGPMTD-HXUWFJFHSA-N 407.558 3.967 0 50 HHAA O=C(c1ccc[nH]1)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857707081 YLRDQKHEDJXINC-HXUWFJFHSA-N 409.530 3.643 0 50 HHAA O=C(c1ccncc1F)N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1 2100483829 QPSLFTCCDWSPHC-QHCPKHFHSA-N 405.473 3.799 0 50 HHAA COc1cc(NS(=O)(=O)c2ccc(Br)cc2)c(OC)cc1Cl 725841 WBKSJEMNFRXWFA-UHFFFAOYSA-N 406.685 3.921 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cc1 786504 GUMRNCBRYUMURS-UHFFFAOYSA-N 417.712 3.507 0 50 HHAA CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 789432 KDMLDWIOFPXXJT-UHFFFAOYSA-N 420.918 3.582 0 50 HHAA O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccccc1F 1174630 RVMGYFNIAWTQPK-UHFFFAOYSA-N 402.422 3.799 0 50 HHAA COc1ccc(C(=O)COC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1 2984751 YFEFBNKWEUJTHC-IBGZPJMESA-N 403.862 3.529 0 50 HHAA Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)c1 6819215 JJLAFIAUZCPOBU-UHFFFAOYSA-N 409.511 3.646 0 50 HHAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(CSc3ccccc3)cc2)C1 65363416 LLJDURJKVOOWEM-QGZVFWFLSA-N 404.557 3.589 0 50 HHAA Cc1cnc(C(=O)N(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)cn1 20572557 YJSORYBZJBHPMQ-NRFANRHFSA-N 407.562 3.867 0 50 HHAA COCCCOc1cc(/C=C/c2nc(N(C)C)ncc2Br)ccc1OC 328593179 QUJQGQPEPDJWMK-SOFGYWHQSA-N 422.323 3.899 0 50 HHAA C[C@@H](CNC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1)Oc1cccc(F)c1 442386795 HOAIOTCMTYILFY-LBPRGKRZSA-N 417.437 3.611 0 50 HHAA C[C@H]1[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C[C@H]2C[C@H]1C2(C)C 241338528 MBLHPHOEBDBRME-KLICCBINSA-N 423.550 3.840 0 50 HHAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2cccc(F)c2F)CC1 20613883 PTSJZARFDLWZNJ-UHFFFAOYSA-N 421.296 3.778 0 50 HHAA Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@@H]1CCCN2CCCC[C@H]12 253407349 JTLPAQMATCDEIG-FXAWDEMLSA-N 400.954 3.962 0 50 HHAA biogenic O=C(Nc1ccccc1C(=O)NCc1ccccn1)c1cnn(Cc2ccccc2)c1 828206424 RQIZKZVXLIPNBG-UHFFFAOYSA-N 411.465 3.509 0 50 HHAA O=C(C1CCN(Cc2cccc(Cn3cccn3)c2)CC1)N1CCc2ccccc2C1 827972684 MFYROBXQKATZTI-UHFFFAOYSA-N 414.553 3.728 0 50 HHAA COCCc1noc([C@H]2CCCCN2C(=O)c2c(-c3ccccc3)ccnc2C)n1 952989251 IFZARPVZKYFRAM-LJQANCHMSA-N 406.486 3.996 0 50 HHAA O=C(c1ccccc1)N1CCC(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1704298266 FZPLFDPHTQXUCR-PXDATVDWSA-N 415.537 3.687 0 50 HHAA COc1ccc(CN(C)CCc2ccccc2)cc1OC[C@@H](O)CN1CCCCC1 11933425 IEDREFAFVXETGR-QHCPKHFHSA-N 412.574 3.595 0 50 HHAA O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 11936290 SRDBXSKOQMRQHL-MRXNPFEDSA-N 403.438 3.541 0 50 HHAA Cc1ccn(CCC(=O)NC[C@@H]2Cc3c(ccc4cc(-c5cccnc5)ccc34)O2)n1 11996170 HNYUSZKCZAHUTF-NRFANRHFSA-N 412.493 3.917 0 50 HHAA COc1cccc(CCNC(=O)C2CCN(c3nc(C)c4ccccc4n3)CC2)c1 12163903 NNYUKVXSHNFRQM-UHFFFAOYSA-N 404.514 3.522 0 50 HHAA O=C(NC1CC1)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccccc2)C1 14749835 YLMLVGRDGRQXSO-FCHUYYIVSA-N 417.553 3.531 0 50 HHAA CN(C[C@H](O)c1ccccc1)C(=O)CCc1nnc(CCCCc2ccccc2)o1 15076061 OATHPSNSDFNSTF-NRFANRHFSA-N 407.514 3.760 0 50 HHAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1857678331 DOVDXQXXXPVMTN-XMMPIXPASA-N 401.466 3.959 0 50 HHAA O=C(NCCCN=c1cc[nH]cc1)Nc1ccccc1N1CCc2sccc2C1 1875261551 AYRKZRWXXSMCBH-UHFFFAOYSA-N 407.543 3.751 0 50 HHAA CCc1ncnc(N(C)C[C@H]2CCN(C(=O)c3[nH]c4ccccc4c3Cl)C2)c1F 1875330328 NZUPSRCPPBXUIB-CYBMUJFWSA-N 415.900 3.911 0 50 HHAA CN1CCCN(C(=O)c2ccccc2NC(=O)/C=C/c2nc3ccccc3s2)CC1 2325708494 NOWCKLGAHNAFQJ-VAWYXSNFSA-N 420.538 3.726 0 50 HHAA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCc2ccccc2C1 845151 KVOUPYWUBUIKJL-UHFFFAOYSA-N 402.214 3.558 0 50 HHAA Cc1ccccc1OCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1 1148329 ASZRPMLVQJPXGG-UHFFFAOYSA-N 402.406 3.688 0 50 HHAA Cc1cccc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 2857850 XTPVKVURBPFHQV-UHFFFAOYSA-N 416.543 3.932 0 50 HHAA O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 2982024 ZHAYVZGHLVKNNP-UHFFFAOYSA-N 404.557 3.982 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c(C)c1 11697243 PKSQUNOYHAUUHF-UHFFFAOYSA-N 417.517 3.895 0 50 HHAA CCOC(=O)CC1(NC(=O)c2cc(COc3ccc(F)c(F)c3)on2)CCCCC1 11999165 WKRXRQSVAZKWCC-UHFFFAOYSA-N 422.428 3.918 0 50 HHAA Cc1cnc(C)c(-c2cc(F)c3c(c2)C[C@@H](CNC(=O)c2cc(CC(C)C)n[nH]2)O3)n1 12218832 IDIVYOSVAGFFBP-SFHVURJKSA-N 423.492 3.555 0 50 HHAA C[C@H]1CN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CCN1C 12468047 YQCITNSPUXVDIP-NRFANRHFSA-N 421.585 3.549 0 50 HHAA O=C(c1ccc(OC2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1)N1CCCC1 12579074 SJTJVRBKXONFAJ-UHFFFAOYSA-N 406.526 3.901 0 50 HHAA Cc1ncccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14540076 NWDDJGFNXGVXBQ-JOCHJYFZSA-N 421.541 3.593 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCCN1Cc1ccc2c(c1)CCO2 15061584 VSVSKAQCOIPQBS-QFIPXVFZSA-N 402.498 3.800 0 50 HHAA C[C@H](Cc1ccccn1)NC(=O)CN1Cc2ccccc2O[C@H](c2ccccc2F)C1 15068935 MQHBGPRSMNSLFP-KOSHJBKYSA-N 419.500 3.904 0 50 HHAA Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1C 18241012 OGENYZWLZJBAJK-SFTDATJTSA-N 417.461 3.799 0 50 HHAA OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1CCc1ccccc1 19837731 AAIULNQTTHSDBK-QHCPKHFHSA-N 424.976 3.841 0 50 HHAA COc1ccc(CN2CCC[C@@H](N(C)CCc3ccccn3)C2)c(Cl)c1OC 20209205 DCKYYRJLLFSXJS-LJQANCHMSA-N 403.954 3.891 0 50 HHAA c1ccc(N2CCN([C@H]3CCCN(Cc4cccn4-c4ccccn4)C3)CC2)cc1 20538566 DZDQNOPGIHQEMH-QHCPKHFHSA-N 401.558 3.659 0 50 HHAA COc1ccc(CCn2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 40390920 HYYDHIUOPIPALH-UHFFFAOYSA-N 411.465 3.666 0 50 HHAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1nc(-c2ccncc2)cs1 61721062 HVXJPCCZWRQSQI-UHFFFAOYSA-N 423.885 3.721 0 50 HHAA CN(Cc1ccon1)C(=O)c1cc(-c2cnn(-c3ccccn3)c2)nc2ccccc12 63835254 OEYVYWBCXIQVGS-UHFFFAOYSA-N 410.437 3.743 0 50 HHAA COC1CCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CC1 77471066 FOFINMSLZONWOF-UHFFFAOYSA-N 411.546 3.969 0 50 HHAA O=C(OCC(=O)c1ccccc1Cl)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 100354610 OLPDUOFTHJCPEI-IRXDYDNUSA-N 423.852 3.835 0 50 HHAA Cc1nc(N2CCC(C(=O)N[C@H]3CCc4ccccc43)CC2)cc(C(F)(F)F)n1 169772583 QCHMHJSJAKSRPZ-KRWDZBQOSA-N 404.436 3.824 0 50 HHAA COc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 239358363 NCPYNQDHIIBZIX-OOICKAIWSA-N 404.595 3.656 0 50 HHAA COc1cc(-c2noc(CN(C(C)C)[C@H]3CCCC[C@H]3O)n2)ccc1OC(F)F 252477335 MFWWLKNNZOSBRR-LSDHHAIUSA-N 411.449 3.861 0 50 HHAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CC(Cc2ccccc2Cl)=NO1 299769546 QDZNABAZKAPUQE-HXUWFJFHSA-N 400.910 3.678 0 50 HHAA CC1(C)CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C[C@@]2(CCOC2)O1 478403171 CSGMFVOVXYORJD-OAQYLSRUSA-N 404.894 3.724 0 50 HHAA CC(=O)Nc1ccc(NC(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1 499150082 NCFYMIBHYQVIDU-SFHVURJKSA-N 405.401 3.852 0 50 HHAA O=C(CCCOC(=O)c1nnc(O)c2ccccc12)c1ccc(Br)cc1 772751994 UQQQQULVJSFXLB-UHFFFAOYSA-N 415.243 3.918 0 50 HHAA O=C(Cc1ccc(Cl)cn1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 785917642 QZVUTRVTHNVXBM-FQEVSTJZSA-N 406.873 3.960 0 50 HHAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NC1(CO)CCCCC1 1857722460 VVKKIGMLSXAVIG-OAHLLOKOSA-N 405.926 3.899 0 50 HHAA Cn1nc(-c2ccccc2)c2c(NC(=O)c3cccc(N=c4cc[nH]cc4)c3)[nH]nc21 1875261440 STQBIGBQZDJSON-UHFFFAOYSA-N 409.453 3.776 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cnc(O)c(Cl)c3)C2)[C@@H]2CCCC(=O)N12 2356141554 HBRQGUYNRRAHDM-NEPXVJNWSA-N 419.953 3.718 0 50 HHAA CCc1nccn1CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2CCC(C)C 2356153342 BYOWUOCTNKWZNI-DYXWJJEUSA-N 410.562 3.621 0 50 HHAA Cc1sc(NC(=O)c2ccc(I)cc2)c(C(=O)O)c1C 708616 PXBKFCQAWKJTTQ-UHFFFAOYSA-N 401.225 3.920 0 50 HHAA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2cccs2)NC(=S)N1 758106 YXXIMCHLNXCCNT-AWEZNQCLSA-N 408.346 3.942 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1 1115919 QRWNDIBOLJTTAD-UHFFFAOYSA-N 420.487 3.736 0 50 HHAA CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccccc2F)c(C(=O)OCC)c1C 1121140 NELJQPCPLMKICL-LBPRGKRZSA-N 423.462 3.955 0 50 HHAA COC(=O)c1ccc(OC[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 1130459 MMEHHSAYPCXIND-HXUWFJFHSA-N 416.477 3.854 0 50 HHAA O=C(COc1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1 1130652 RJRWQJKKRXFFLV-UHFFFAOYSA-N 409.711 3.830 0 50 HHAA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2OC)cc1Br 1171224 MXEVLRAIYAUZQG-UHFFFAOYSA-N 409.305 3.983 0 50 HHAA CCCCOC(=O)COc1cc(OCC(=O)OCCCC)c2c(C)cc(=O)oc2c1 4746067 VSQSQKBJHGMWIL-UHFFFAOYSA-N 420.458 3.546 0 50 HHAA biogenic CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)S(=O)(=O)c1ccccc1 9431108 XOEFTPXFIQZXID-UHFFFAOYSA-N 400.500 3.528 0 50 HHAA COc1ccc2[nH]c(CN3CCN(Cc4ccccc4C)[C@H](CCO)C3)c(C)c2c1 104464808 YUMOPPHCFNXVKE-OAQYLSRUSA-N 407.558 3.862 0 50 HHAA COC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@H]1c1cc(C)ccc1C 20500983 QGWPETSUOQEIPU-FQEVSTJZSA-N 413.905 3.528 0 50 HHAA COc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4)CC3)n2)c1 67629538 BKNIEAFLYCVBFP-UHFFFAOYSA-N 420.513 3.616 0 50 HHAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)n1 65361803 JBKOWZVDJHLCAY-UHFFFAOYSA-N 412.513 3.577 0 50 HHAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cnc(-c4ccccc4)s3)C2)CC1 23359408 OSZYZHZVTDETFN-IBGZPJMESA-N 414.575 3.549 0 50 HHAA CSc1nc2ncc3c(=O)n(-c4ccc(Oc5ccccc5)cc4)ccc3n2n1 30875202 LKLOFPPOSNQZJH-UHFFFAOYSA-N 401.451 3.943 0 50 HHAA Clc1ccc(-c2cc(-c3ccncc3)nc(NCCCN3CCOCC3)n2)cc1 214081806 GQXFBVJGVQFJPW-UHFFFAOYSA-N 409.921 3.993 0 50 HHAA CC(C)C[C@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)C(=O)O 236632204 MFHLCDNKSOXCLE-INIZCTEOSA-N 400.504 3.970 0 50 HHAA CO[C@@H]1O[C@@H]2CC[C@H](c3ccccc3)C[C@H]2[C@H](OC(C)=O)[C@@H]1NC(=O)c1ccccc1 257346942 GMOOACLSMCVXRV-SCJYBBROSA-N 423.509 3.672 0 50 HHAA CN1CCC(Oc2ccc(NC(=O)c3nc4ccc(Cl)cn4c3F)cc2)CC1 823765165 ZYLGKQTXUCURKL-UHFFFAOYSA-N 402.857 3.852 0 50 HHAA CC(C)c1noc([C@@H]2CCCN2Cc2cc3ccccc3nc2N2CCOCC2)n1 952990640 VQQMRQUDGKDTCU-FQEVSTJZSA-N 407.518 3.915 0 50 HHAA O=C(Cn1ccn2cc(Br)cc2c1=O)Nc1ccc(Cl)c(Cl)c1 170603560 CNDNWTNOLXWCDV-UHFFFAOYSA-N 415.074 3.809 0 50 HHAA COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)Nc1cccc(C(=O)O)c1 1021635 NVVGDKYJERSVKV-XSFVSMFZSA-N 416.433 3.803 0 50 HHAA biogenic CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cc(COc2ccc(F)cc2F)on1 11664768 NLDSWOKXSZEOLV-SFHVURJKSA-N 404.417 3.573 0 50 HHAA CC(=O)N1CCC(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)CC1 12464500 NVMHJZSPGFHSGI-FQEVSTJZSA-N 408.546 3.569 0 50 HHAA Cc1ccc(CN2C(=O)/C(=c3/sc4nc5ccccc5n4c3=O)c3ccccc32)cc1 13204954 WMGZGMMTNLGESP-QURGRASLSA-N 423.497 3.682 0 50 HHAA COc1cccc(CNc2ncnc3sc(C(=O)NCc4ccon4)c(C)c23)c1 15002607 APJZJIMLFXUAAF-UHFFFAOYSA-N 409.471 3.538 0 50 HHAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3cc(CC(C)C)[nH]n3)C2)cc1OC 19740220 ZDTKZPXDPNNJKK-JOCHJYFZSA-N 414.594 3.764 0 50 HHAA COc1cc(CN2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)ccc1F 1857727302 NZHUNEXUNNUKPY-XMMPIXPASA-N 420.488 3.872 0 50 HHAA CCC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1NS(C)(=O)=O 252481814 CTAPFCCCPUKAGE-GOSISDBHSA-N 405.907 3.799 0 50 HHAA CC(C)c1c(NC(=O)N2CCC[C@@H](OCCO)C2)cnn1-c1ccccc1Cl 485148708 PLEKBYNRKPDETA-OAHLLOKOSA-N 406.914 3.654 0 50 HHAA CCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC[C@@H]1CSCCS1 1875265198 AZEKUDNKRALKJI-CABCVRRESA-N 408.614 3.765 0 50 HHAA COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 789434 RIEAWLBXSKYOEI-UHFFFAOYSA-N 422.934 3.696 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(Cl)cc2)cc1 877217 OMTOSZMGBVAXQI-UHFFFAOYSA-N 418.902 3.753 0 50 HHAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OC1CCCC1 1122901 WNNPKLXGQUINEI-MRXNPFEDSA-N 409.280 3.571 0 50 HHAA Cc1ccc(C(=O)[C@H](OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 1164477 ACBNTTVBYNHSID-HSZRJFAPSA-N 413.429 3.758 0 50 HHAA aggregator O=C(Cc1ccccc1Cl)N1CCCN(C(=O)Cc2ccccc2Cl)CC1 1457132 BAIDPYWNUKIKAR-UHFFFAOYSA-N 405.325 3.840 0 50 HHAA C[C@H](NC(=S)N1CCN(C(=S)N[C@@H](C)c2ccccc2)CC1)c1ccccc1 2747751 IFUOOJOVCXFRRE-ROUUACIJSA-N 412.628 3.875 0 50 HHAA CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC(F)(F)C(F)(F)F 4065424 YJTZPBCSTDSCBT-CQSZACIVSA-N 422.350 3.844 0 50 HHAA COc1ccccc1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 12026398 SBOGOBLJGVJXGN-CYBMUJFWSA-N 411.882 3.771 0 50 HHAA COc1ccc(CN2CCC(C)CC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12301263 HXIWLCRGTVQISM-HSZRJFAPSA-N 412.574 3.799 0 50 HHAA CCc1ccc(CN(C)C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)cc1 12576092 BUCKZTIAJDQACD-UHFFFAOYSA-N 417.469 3.669 0 50 HHAA Cc1ccc(NC(=O)CSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)cc1Cl 13545113 FRKCTQQERNVUGD-UHFFFAOYSA-N 400.891 3.712 0 50 HHAA COc1ccc(C[C@]2(CCC(=O)N[C@H](c3ccco3)C(F)(F)F)CCC(=O)N2)cc1 14987327 YYIYIEVPHZLKFF-UXHICEINSA-N 424.419 3.680 0 50 HHAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)CN2CCOc3ccccc3C2)c1C 15069874 MVDOFUPISYQPBM-GOSISDBHSA-N 404.514 3.561 0 50 HHAA Cc1ccc2occ(CN3CCc4nnc(CCc5ccccc5)n4CC3)c(=O)c2c1 19226084 IVEODNIUOIDOTL-UHFFFAOYSA-N 414.509 3.536 0 50 HHAA O=C(c1ccccc1)N1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 19626261 RUTWJFHUJLHOGI-OAQYLSRUSA-N 413.521 3.613 0 50 HHAA biogenic,in-vitro O=C(NCCSCc1c(F)cccc1Cl)c1ccc(CN2CCOCC2)cc1 22364089 YDRMHCIUPKBSHT-UHFFFAOYSA-N 422.953 3.975 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2[nH]c3ccccc3c2C)C[C@H]1CCO 36385720 SQBVFYILJFUUST-OAQYLSRUSA-N 407.558 3.944 0 50 HHAA CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CCN(C[C@H]2CC=CCC2)CC1 39544237 GXURHFUZUZWSSM-SFHVURJKSA-N 423.550 3.744 0 50 HHAA O=C(c1ccoc1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55370886 SROPDRULSDXHKJ-IBGZPJMESA-N 407.436 3.725 0 50 HHAA CCCc1noc(-c2cn(C3CCN(C(=O)c4cc(F)ccc4Cl)CC3)nn2)n1 169777389 LQASHIHGDQXUQS-UHFFFAOYSA-N 418.860 3.550 0 50 HHAA CC(C)c1noc(-c2cn([C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)nn2)n1 169777834 MEKILQVVUXRFHM-HNNXBMFYSA-N 400.870 3.582 0 50 HHAA CCN1C[C@H](COC(=O)[C@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)CC1=O 170594802 IWODEHAKYHPSOC-HNJNHCNJSA-N 400.302 3.873 0 50 HHAA C[C@H](O)[C@](C)(CNC(=O)c1cccc(NC(=O)c2ccco2)c1)Cc1ccccc1 170611680 SEFOUZGVVRXVEP-XDHUDOTRSA-N 406.482 3.892 0 50 HHAA COc1ccccc1[C@H](NC(=O)OC(C)(C)C)c1noc([C@H](C2CC2)N(C)C)n1 252499994 SLKZYRPWVDKMDE-IRXDYDNUSA-N 402.495 3.705 0 50 HHAA O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CC[C@]2(C1)OCc1ccccc12 472033553 OVCWYDRXZPLLEU-AREMUKBSSA-N 424.456 3.759 0 50 HHAA C[C@@H](NC[C@H](CO)Cc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1Cl 477924740 GQZDAFJQDUNPSA-UKRRQHHQSA-N 406.864 3.701 0 50 HHAA Cc1cccc(N2CCC(NC(=O)CCCc3nc(-c4ccncc4)no3)CC2)c1 670457485 UAZMEJPGOLKLOZ-UHFFFAOYSA-N 405.502 3.548 0 50 HHAA CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)CSc1ccncc1 804313858 YUJHKQLUCLVMAV-IBGZPJMESA-N 413.543 3.824 0 50 HHAA CCC[C@]1(C(=O)O)CCN(C(=O)c2ccc(Oc3ccc(OC)cc3)cc2)C[C@H]1O 1704337431 XWIDXTJZRAVMKL-OFNKIYASSA-N 413.470 3.565 0 50 HHAA Cc1cc(C)n2ncc(-c3nccn3[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)c2n1 1875246830 NTRKMHQHKWBTRG-KRWDZBQOSA-N 406.877 3.841 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc(Cc4ccno4)no3)c2)cc1F 2325735976 RZLCWMXTLXBFFF-UHFFFAOYSA-N 414.418 3.564 0 50 HHAA COCCn1ccnc1NC(=O)c1cccnc1Oc1ccc(Br)cc1 2325855734 MXAWEHRLFNGHBL-UHFFFAOYSA-N 417.263 3.732 0 50 HHAA CCOc1ccc([C@H](O)Cn2c(=N)n(CCN3CCCCC3)c3ccccc32)cc1 845916 MKHUUMRWZZFAQU-HSZRJFAPSA-N 408.546 3.540 0 50 HHAA Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCC(C)C)nn3c2C)cc1 2461255 FNSADBGEKKWALJ-UHFFFAOYSA-N 411.575 3.895 0 50 HHAA COc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 2876485 OWKHTIJCHGDHHK-NSHDSACASA-N 417.314 3.795 0 50 HHAA COc1ccc([C@H](C)NC(=O)c2cccc(I)c2)cc1OC 4869867 PDACQHMOEGBARU-NSHDSACASA-N 411.239 3.799 0 50 HHAA O=C(NCCc1ccccc1)C1CCN(C2CCN(Cc3ccccc3F)CC2)CC1 11753816 FYHNGQRERYLJAU-UHFFFAOYSA-N 423.576 3.861 0 50 HHAA COc1cccc(CNc2ncnc3sc(C(=O)NCc4ccccn4)c(C)c23)c1 11908885 FPMCYPJKWQCKIV-UHFFFAOYSA-N 419.510 3.945 0 50 HHAA COc1ccc(CNCCc2ccc(Cl)cc2)cc1OC[C@H](O)CN1CCCC1 12761950 OCCAYSAOZMWHRI-OAQYLSRUSA-N 418.965 3.516 0 50 HHAA Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@H](c1ccccc1Cl)CC(=O)N2 65364600 XCXIZMSUKVQAGP-HNNXBMFYSA-N 408.893 3.698 0 50 HHAA COc1ccc(CC(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)cc1 169753769 UCHRDVAMDMXJCB-GOSISDBHSA-N 410.905 3.676 0 50 HHAA O=C1[C@@H]2[C@@H](ON(c3ccc(Cl)cc3)[C@H]2c2cccnc2)C(=O)N1c1ccccc1 170591332 URMJABIZXOISIF-SLFFLAALSA-N 405.841 3.786 0 50 HHAA O=C(c1cnc(-c2ncccn2)s1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 170623583 UNHOAPAVZOCKCI-QGZVFWFLSA-N 414.918 3.839 0 50 HHAA COc1ccc(Br)c(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 170646570 UWOHPSFTKRPILO-GFCCVEGCSA-N 413.312 3.539 0 50 HHAA Cc1nnc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)n1C 225732577 YDSCUZQGONGZCI-QGZVFWFLSA-N 405.930 3.571 0 50 HHAA COC[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 252537340 KYRLKKDTSBXEHV-HKBOAZHASA-N 408.464 3.618 0 50 HHAA Cc1cccc(C2=C/C(=C(/O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)N=N2)c1O 334157921 LVEVQYWPKYGXCH-ITZAQCPESA-N 415.471 3.517 0 50 HHAA CN1C(=O)C[C@@H](CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)[C@@H]1c1cnn(Cc2ccccc2)c1 486420381 UAYRLSDEPHSADW-YCHQBSMBSA-N 418.585 3.865 0 50 HHAA Cc1sc(=O)n(CCC(=O)OCc2nc(-c3ccc(C(C)C)cc3)no2)c1C 734592242 HKRTUVNTXCAZRL-UHFFFAOYSA-N 401.488 3.834 0 50 HHAA O=C(NCc1nnc(S)n1C1CC1)Nc1cc(Cl)ccc1N1CCCCC1 754424843 LJNOCIRJTBKMRD-UHFFFAOYSA-N 406.943 3.867 0 50 HHAA O=C1C[C@H]2N(Cc3ccccc3OCc3c(F)cccc3Cl)CC[C@]23OCCN13 1857713850 UNGOGSUSUUTIEG-IRLDBZIGSA-N 416.880 3.591 0 50 HHAA O=C(c1cc2ncccn2n1)N1CCC(C2CCN(CCc3ccccc3)CC2)CC1 1857725994 DMGFFOOZIUCKIC-UHFFFAOYSA-N 417.557 3.536 0 50 HHAA COc1ccc(-c2onc(NCc3ccc(N4CCCC4=O)cc3)c2C(=O)O)cc1 2356143006 QGEDUBDUAWEKIS-UHFFFAOYSA-N 407.426 3.787 0 50 HHAA O=S(=O)(c1ccc(Cl)cc1)c1nc(Cc2ccccc2)oc1N1CCOCC1 635324 ACVQGVQEZYNQCO-UHFFFAOYSA-N 418.902 3.588 0 50 HHAA COc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 835331 SYFHFMAHMAUQAK-UHFFFAOYSA-N 410.495 3.914 0 50 HHAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc1OC 862828 UTLDSELVNKWKQM-GOSISDBHSA-N 401.850 3.624 0 50 HHAA O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccccn1 1109385 QTNDUBONYCKUPX-QHCPKHFHSA-N 406.869 3.785 0 50 HHAA O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)Nc1ccccc1 1112938 NWTWLKRNSGNEIJ-UHFFFAOYSA-N 412.563 3.583 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1c(Cl)cccc1Cl 1150966 WUWGVLFDUBPWLL-UHFFFAOYSA-N 423.281 3.837 0 50 HHAA C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CCOCC2)C1 1212920 MDGYVPJWILNQBB-CYBMUJFWSA-N 402.491 3.737 0 50 HHAA O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1ccc(Br)o1 2776925 ZHSFFSQXNUCYFB-UHFFFAOYSA-N 406.202 3.955 0 50 HHAA CCn1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c(C(=O)OC(C)C)n1 2800428 QEUOAVRLCFGXNO-UHFFFAOYSA-N 413.396 3.799 0 50 HHAA COc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 2966368 DKSPUQPQJPBKBH-SFHVURJKSA-N 424.522 3.768 0 50 HHAA Cc1c([C@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)cnn1-c1cccc(F)c1 11662447 SERNPSIGSOTVFS-INIZCTEOSA-N 408.477 3.647 0 50 HHAA O=C(CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)NC1CCOCC1 11881339 XRZVJWTVYWDKRD-RUZDIDTESA-N 406.526 3.620 0 50 HHAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)Cc2ccc3c(c2)OCO3)c1C 12208418 XZCSOLBXWSHKCP-IBGZPJMESA-N 403.482 3.954 0 50 HHAA COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)[C@H]1CCCO1)C2 12247179 BHTDSVBKZZWSFL-OAQYLSRUSA-N 404.466 3.810 0 50 HHAA COc1ccc(-c2noc(CN3CCCC[C@@H]3c3ccccn3)n2)c(OC)c1OC 12304632 AUGNOFRCZZDEFV-QGZVFWFLSA-N 410.474 3.885 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCCc1ccccc1F)C2 14539939 QOZIIAMJDGWBMX-IBGZPJMESA-N 412.553 3.748 0 50 HHAA Cc1cccc(-c2ncc(CN3CCC(CCC(=O)NC[C@@H]4CCCO4)CC3)cn2)c1 15071412 UMXSRAHVZCVFER-QHCPKHFHSA-N 422.573 3.739 0 50 HHAA CCOC(=O)c1cccnc1N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 19226636 FXBJFIICRQHCBL-QGZVFWFLSA-N 413.493 3.710 0 50 HHAA OCC[C@H]1CN(Cc2nc3ccccc3s2)CCN1Cc1ccc(F)c(F)c1 22919069 ASAYGHNWFSTXTA-INIZCTEOSA-N 403.498 3.643 0 50 HHAA C[C@@H](Nc1ccc(NC(=O)CCc2nc(-c3nnc[nH]3)no2)cc1)c1ccccc1 109709074 GMUUCNWWZKAHRG-CQSZACIVSA-N 403.446 3.599 0 50 HHAA CCc1cnc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)o1 170598398 TYAKEMZWCBWTBR-UHFFFAOYSA-N 413.499 3.585 0 50 HHAA COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1c(O)c2ccccc2oc1=O 218128114 LZCHAYIJZGNQLP-QGZVFWFLSA-N 418.405 3.776 0 50 HHAA biogenic Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5C[C@H]3C[C@@H]54)c2)c1 239173641 OITVFZXFBDIOLE-JUHPOPGZSA-N 404.466 3.692 0 50 HHAA C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 252444081 CETPBGPVECRQDZ-QZMQVMSPSA-N 412.534 3.505 0 50 HHAA O=C(NCC1CCN(CCc2c[nH]c3ccccc23)CC1)c1cnc(C2CC2)nc1 1506419237 MRCZVFMDYFTQFI-UHFFFAOYSA-N 403.530 3.520 0 50 HHAA CNC(=O)[C@@]1(Cc2cscn2)C[C@H]2CC[C@@H]1N2Cc1ccc(-c2ccccn2)cc1 1704338013 KCFQKHGLHZKSBL-SFLYRZDNSA-N 418.566 3.917 0 50 HHAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCc1cccc(CO)c1 1857724903 RLADCYRFWNFTQC-INIZCTEOSA-N 413.905 3.896 0 50 HHAA C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)cc1 1875255739 CHTDRBXXXAUITP-LBPRGKRZSA-N 418.906 3.593 0 50 HHAA COc1ccc(Nc2nc(C(=O)NCCc3cccc(CN(C)C)c3)cs2)cc1 2325738787 JUFQNCMEZOQURD-UHFFFAOYSA-N 410.543 3.929 0 50 HHAA Cc1ccc2ncc(NC(=O)C(=O)NCc3noc(-c4ccccc4)c3C)cc2c1 2325818905 DSXFCQAYMKEAOG-UHFFFAOYSA-N 400.438 3.762 0 50 HHAA C=CC(=O)Nc1cc(C(=O)Nc2cccc(-n3nccc3C(F)(F)F)c2)ccc1O 2325890165 DDMGDMOZVOUITQ-UHFFFAOYSA-N 416.359 3.974 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3cn(C)c4ccccc34)C2)[C@@H]2CCCC(=O)N12 2356142916 NDWLJTWBOZWSMY-MXNKGDRCSA-N 407.558 3.749 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)cc1 2356149695 RAIMBGRXJOSYBQ-RUZDIDTESA-N 406.526 3.673 0 50 HHAA CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccc(C)cc2)cc1 833361 GYZDAHFCLVMPLZ-UHFFFAOYSA-N 416.543 3.602 0 50 HHAA CCOc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(OCC)c1OCC 851808 IWBCYUORKBTFMA-UHFFFAOYSA-N 416.493 3.984 0 50 HHAA CCOC(=O)c1cc(CC)sc1NC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O 1135472 WXUGNLRCZZLCLI-KRWDZBQOSA-N 415.515 3.865 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Cl)c(O)c(OCC)c1 1184949 YYIVZPOKEZGJEU-SFHVURJKSA-N 416.861 3.773 0 50 HHAA CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2CC)cc1 2335804 MZTCBFKYVMWWAO-UHFFFAOYSA-N 410.547 3.937 0 50 HHAA COC(=O)c1ccccc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 2873652 BANIJVQTDOAQTB-HNNXBMFYSA-N 424.400 3.934 0 50 HHAA Cc1ccc(N2CC3=C(C2=O)[C@H](c2ccc(Br)cc2)NC(=O)N3C)cc1 4726744 KLFFBIFAAKQFQH-SFHVURJKSA-N 412.287 3.755 0 50 HHAA C[C@@H](NC(=O)CSc1nnnn1-c1ccccc1F)C12CC3CC(CC(C3)C1)C2 4754180 RAVRGWRLFWYPSL-BUBBNXEVSA-N 415.538 3.615 0 50 HHAA COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cn2)o1 6182163 JJWREKIAMUDCRD-UHFFFAOYSA-N 421.276 3.634 0 50 HHAA CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCc2cccnc2)c1=O 8845900 WSCSHNKPDWZCAA-UHFFFAOYSA-N 410.477 3.922 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)C1 11713226 OXHHSAFIKQUMSV-KRWDZBQOSA-N 415.534 3.748 0 50 HHAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@@H](C)Cc2cccs2)c1 12191861 RNOJBWBKFURVII-HNNXBMFYSA-N 416.543 3.507 0 50 HHAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)c1C 12440306 MNKSIHLUMWQAEL-SFHVURJKSA-N 404.514 3.817 0 50 HHAA O=C(NCC1(N2CCCCC2)CCCC1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12479857 WYLCQAPVSLVBTO-OAQYLSRUSA-N 403.611 3.720 0 50 HHAA Cc1cnc(-n2ncc(C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)c2C)nc1-c1cccs1 12511594 VMTQTEQETZLSFI-IXDOHACOSA-N 405.527 3.950 0 50 HHAA O=C(NC1CCCC1)c1ccc(OC2CCN(C[C@@H]3CCOC3)CC2)c(Cl)c1 14947853 OSQXMHWGPXSOJN-INIZCTEOSA-N 406.954 3.892 0 50 HHAA Cc1cccc2c(N3CCCC3)nc(CNS(=O)(=O)c3cccc(Cl)c3)nc12 15001460 CAUYAHNINBOXTP-UHFFFAOYSA-N 416.934 3.670 0 50 HHAA O=C1C[C@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc2ccccc12 19313525 PEAHZXGSIHQOMP-QFIPXVFZSA-N 419.912 3.947 0 50 HHAA CC[C@H](C)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 77438432 FRKUZVLXLOLJIG-KRWDZBQOSA-N 412.555 3.759 0 50 HHAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(CCC3CCCCC3)CC2)C1 82108166 HVAVMBBOKONSHE-JOCHJYFZSA-N 412.622 3.845 0 50 HHAA CC[C@@H](C(=O)NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1ccccc1 169781050 YJPMJFLDYYNJQT-HXUWFJFHSA-N 418.472 3.612 0 50 HHAA C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2 222000803 LMDBFRHIMRLOTN-YODVWZBWSA-N 417.889 3.710 0 50 HHAA CCC(C)(C)c1ccc(OC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239203438 SJRYELQMMMOVLI-OVMLJTRSSA-N 407.510 3.723 0 50 HHAA C[C@]12CCC(=O)N1[C@@H](C(=O)O[C@H]1CCc3[nH]c4ccc(Cl)cc4c3C1)CS2 252511650 JARBTHBYXNVQEW-TUIFFPIZSA-N 404.919 3.676 0 50 HHAA COc1ccccc1NC(=O)COc1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)cc1OC 428520807 XRQWBRBSUCCLCC-VQIMIIECSA-N 424.497 3.736 0 50 HHAA Cn1cnc2cc(C(=O)NCC[C@H](c3ccc(F)cc3)c3ccco3)ccc2c1=O 670472062 IJPUAXNXGCDBCO-GOSISDBHSA-N 405.429 3.618 0 50 HHAA Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1cc(Cl)nc2ccccc12 782242346 HNWWQHYPOLCCQZ-ODLFYWEKSA-N 405.845 3.925 0 50 HHAA CC[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)CCN1C(C)C 952980127 FPVUSZDFPWYGCK-FQEVSTJZSA-N 414.571 3.605 0 50 HHAA COc1cc2c(cc1-c1nccn1[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)OCO2 1857707933 AHLHFZXDNOSNIF-HNNXBMFYSA-N 411.845 3.919 0 50 HHAA COc1cccc2ccc(CN3CC[C@@]45O[C@@H](c6ccccc6)CN4C(=O)C[C@@H]35)nc12 1857724320 VHGIQASPNYGZSN-RQTOMXEWSA-N 415.493 3.518 0 50 HHAA CC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 715314 AOTYONFJVOQRAK-JOCHJYFZSA-N 412.445 3.735 0 50 HHAA COc1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 835259 PRLIDZJMKGNPOH-UHFFFAOYSA-N 410.495 3.914 0 50 HHAA CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@@H]1c1cc(C)ccc1C 1062082 OAZUYVHBKGGAJN-JOCHJYFZSA-N 405.498 3.537 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 1174517 UNANFLNXXADRSC-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCC(C)C)cc3n2)cc1OC 1209821 ABUOFPMIXYOMAO-UHFFFAOYSA-N 422.407 3.818 0 50 HHAA COc1cc(Br)c([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1OC 2469533 ZPWMOLGIQBSEIK-SNVBAGLBSA-N 420.259 3.712 0 50 HHAA CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccs1 2522407 RHFJYYGHIZUUCG-UHFFFAOYSA-N 402.501 3.529 0 50 HHAA COc1ccc(Cl)cc1C(=O)NC[C@H](C)NC(=O)c1cc(Cl)ccc1OC 2752590 WNHXDVOZGBCVBN-NSHDSACASA-N 411.285 3.559 0 50 HHAA O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCC1=CCCCC1 2887409 DQLDBQNIOSYZOD-UHFFFAOYSA-N 414.527 3.873 0 50 HHAA CCOC(=O)c1[nH]c(C)c(CN(C(=O)CCCC(=O)O)c2ccc(F)cc2)c1C 3622348 COPMSAIAOOVTDU-UHFFFAOYSA-N 404.438 3.735 0 50 HHAA Cn1ccnc1CN1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 11818507 QBTIGCFMCWDSPV-LJQANCHMSA-N 401.470 3.831 0 50 HHAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccccc3C(F)(F)F)C2)nn1 14889075 XZXPWSPMDIWISF-MRXNPFEDSA-N 409.456 3.616 0 50 HHAA COC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)cc1 14948528 DVLIMCMAYFDHAY-OAHLLOKOSA-N 414.433 3.748 0 50 HHAA CC(C)CCNC(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 14991970 FKGQKVRSDUYRIC-UHFFFAOYSA-N 419.485 3.711 0 50 HHAA O=C(CCC1CCN(Cc2ccc(OC3CCCC3)cc2)CC1)N1CCOCC1 15065381 HBISXGDEQSNVTD-UHFFFAOYSA-N 400.563 3.859 0 50 HHAA CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 15066309 GNQGIDZUSGKDIW-HSZRJFAPSA-N 422.525 3.504 0 50 HHAA CCCCn1c(CN(C)C[C@@H]2CCCCO2)cnc1S(=O)(=O)CCCC(C)C 55211595 ALKUDBFQXKHCGJ-FQEVSTJZSA-N 413.628 3.894 0 50 HHAA COC(=O)[C@H]1CCN(C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)C[C@@H]1C 170609999 GPXLIMQMLRUVML-YOEHRIQHSA-N 402.516 3.869 0 50 HHAA Cc1cc(Br)ccc1NCC(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 225505531 HQKGOHJDXRJFSS-LJQANCHMSA-N 421.335 3.806 0 50 HHAA Cc1nnnn1-c1cccc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 252486195 HJBZELQYKIZRSZ-JOCHJYFZSA-N 423.480 3.561 0 50 HHAA COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H](NC(=O)C(C)(C)C)C(C)C 409970690 KHRGSPAYWVKGAI-LRDDRELGSA-N 413.356 3.822 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4cccnc4)csc3C2)nc1 426649723 PWSOVFLBQXFLPZ-UHFFFAOYSA-N 406.555 3.931 0 50 HHAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)CCc1ccc(C)cc1C)CC2 431976965 IVEYAGBPLOCVSE-HXUWFJFHSA-N 411.498 3.854 0 50 HHAA Cc1ccc2c(C(=O)Nc3cc(C4CC4)nn3[C@@H]3CCS(=O)(=O)C3)csc2c1 480119012 WJKIFNOTLAASPB-CQSZACIVSA-N 415.540 3.896 0 50 HHAA O=S(=O)(N[C@@H]1CCCN(Cc2cccs2)C1)c1ccccc1C(F)(F)F 670443556 JZJKMMJHAPCKEU-CYBMUJFWSA-N 404.479 3.710 0 50 HHAA Cc1nn(CCCNS(=O)(=O)c2ccc(-c3c(C)noc3C)s2)c(C)c1C 1506421545 JFBFTOHOPOMXLV-UHFFFAOYSA-N 408.549 3.510 0 50 HHAA O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCC[C@H]1C[C@H](O)c1ccccc1 1875330671 XOZYEFWCLDWVSP-RDJZCZTQSA-N 407.436 3.967 0 50 HHAA COc1ccc(-c2oc3c(ccc4cccnc43)c2CC(=O)NCCN(C)C)cc1 2049513457 WPVYFOFKCNDORS-UHFFFAOYSA-N 403.482 3.877 0 50 HHAA O=C(c1ccncc1F)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356137007 OBHUOQKQBSDHPC-PNQHUFSXSA-N 411.496 3.918 0 50 HHAA O=S(=O)(c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1)N1CCCC1 2857268 GSCLRDSWYQHDPS-UHFFFAOYSA-N 409.964 3.611 0 50 HHAA CCCOc1c(CN2CCC[C@@]23CCCN(CCOC)C3=O)cc(Cl)cc1OC 2356170005 QKILAUGKNNLPDY-JOCHJYFZSA-N 424.969 3.741 0 50 HHAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)NCCO)C1 2986845 ORJJRBNSWULZQH-LBPRGKRZSA-N 406.573 3.935 0 50 HHAA CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OC)c3)cc2Cl)CC1 4412703 XWQUHSXOCMHCKC-UHFFFAOYSA-N 401.894 3.660 0 50 HHAA CC1(C)NC(=O)N(c2cccc(NC(=O)c3ccc(F)cc3C(F)(F)F)c2)C1=O 225728150 IGSGPRJRYLOZSZ-UHFFFAOYSA-N 409.339 3.932 0 50 HHAA Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)nc(N2CCCCC2)n1 64800386 DGIOFKFOGLWFGS-UHFFFAOYSA-N 408.550 3.746 0 50 HHAA CC(C)n1cc(-c2cc(C(=O)N3CCCN(C)C[C@@H]3C)c3ccc(F)cc3n2)cn1 63855454 VFLIFDOOJMXPBY-INIZCTEOSA-N 409.509 3.985 0 50 HHAA O=C1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)c2c(n3ccsc3nc2=O)N1 12428766 DRFVLCWRKWDNFF-QGZVFWFLSA-N 421.453 3.948 0 50 HHAA C[C@@H](CNC(=O)/C=C/c1cccc(F)c1)Oc1cccc(CN2CCSCC2)c1 12053582 XNOXUVFOBVXYBB-BLGFXRMMSA-N 414.546 3.971 0 50 HHAA O=C(c1cccc2ccccc12)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528453 JUOCKQLDWUOLID-UHFFFAOYSA-N 401.514 3.583 0 50 HHAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 426190460 FOMAUFMBBCTSLW-AOCFJSHLSA-N 408.517 3.570 0 50 HHAA COC(=O)c1c(NC(=S)N(C)Cc2cn(C)nc2C)sc2c1CC[C@@H](C)C2 6232920 CJGMRTHSCIYBPF-LLVKDONJSA-N 406.577 3.530 0 50 HHAA CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(F)c(C(F)(F)F)c1 328595558 YDLLIPQTMGBNDL-UHFFFAOYSA-N 419.444 3.773 0 50 HHAA O=C(O)[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc12)N1CCC[C@@H](C(=O)O)C1 229686271 JKPNAPSLYBTZHJ-IERDGZPVSA-N 408.454 3.669 0 50 HHAA Cc1nc2cc(OCc3nc(C(=O)NCCC[C@H]4CCOC4)co3)ccc2s1 91997799 IBOVZJZGJLCJIC-AWEZNQCLSA-N 401.488 3.718 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2C=Cc3cc(C)ccc3N12 248379218 MCVQPHGFLFSMLD-GXRSIYKFSA-N 420.896 3.936 0 50 HHAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)c(C)c1 245329476 ZJJGWZQWROXYET-XSDIEEQYSA-N 422.912 3.792 0 50 HHAA COc1ccc(SC)c(OC)c1C(=O)NC[C@H]1CN(Cc2ccccc2)C[C@H]1C 1462132812 YSWCJCSUCJEQEY-AEFFLSMTSA-N 414.571 3.924 0 50 HHAA Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 170626680 XXMBJOVLKNSOHP-UHFFFAOYSA-N 407.923 3.538 0 50 HHAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 1529138865 JSGTWJMEXJGFLO-MRXNPFEDSA-N 408.433 3.608 0 50 HHAA CC1CCN(CC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 1704343405 HBRFSKGSKDHQST-VWLOTQADSA-N 404.558 3.682 0 50 HHAA COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1 1166215 KUVYRBLNNAHYGN-WQRHYEAKSA-N 412.467 3.687 0 50 HHAA Cc1cc(C)c(CN2CCC3(CC[C@@H](CNC(=O)c4cccnc4)O3)CC2)cc1C 11970939 CWZWVJIXZPGYTH-QHCPKHFHSA-N 407.558 3.950 0 50 HHAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)COc2ccc(Cl)cc2)CC1 11996833 JPZKBJKJBXGHEQ-LJQANCHMSA-N 423.937 3.850 0 50 HHAA COCCc1nc2ccc(C(=O)NCc3c(C)nn(-c4ccc(F)cc4)c3C)cc2o1 12020273 UKVKAUXIKOOQKD-UHFFFAOYSA-N 422.460 3.888 0 50 HHAA CCCN(Cc1cnc(S(=O)(=O)C2CCCCCC2)n1CCOC)CC1CC1 12304256 UTCVXNYTTUAXRV-UHFFFAOYSA-N 411.612 3.648 0 50 HHAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN([C@H](C)CSC)CC1 12456662 QXAXZXFPJIVYHG-OAHLLOKOSA-N 403.552 3.924 0 50 HHAA O=C(c1cc(COc2ccc(F)cc2Cl)on1)N(CCO)Cc1cccs1 12709837 GXTRWJJNAZDIST-UHFFFAOYSA-N 410.854 3.742 0 50 HHAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccccc2SC)CC1 12748290 BYMWNYVFJNWGDV-IBGZPJMESA-N 417.619 3.641 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccc(Cl)s2)c1=O 14955719 YDNHKCQHBZNKBB-UHFFFAOYSA-N 423.966 3.802 0 50 HHAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C 14977437 NRGGXEANTDWEAG-CQSZACIVSA-N 423.542 3.724 0 50 HHAA O=C(CSC1=NCCS1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19921102 DVIJEEHDDMMFKQ-UHFFFAOYSA-N 411.596 3.756 0 50 HHAA CN(C)CCN1C(=O)CC[C@@H]1CCn1ccnc1-c1ccc(CC(F)(F)F)cc1 1857693452 XLKFEQZGJNVZTO-GOSISDBHSA-N 408.468 3.598 0 50 HHAA CC[C@H](NC(=O)c1ccc(OC)c(Oc2cc(F)cc(CN)c2)c1)c1ccnn1C 1857707424 ROPBMTPBVHBEHH-SFHVURJKSA-N 412.465 3.700 0 50 HHAA C[C@H](NC(=O)c1ccc2c[nH]nc2c1)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 1875257946 FBMBXJJPFQNDKP-HNNXBMFYSA-N 424.464 3.659 0 50 HHAA O=S(=O)(c1ccc2ccccc2c1)N(C[C@H](O)CN1CCCCC1)c1ccccc1 4576690 GQWFTSVUOGLZKM-HSZRJFAPSA-N 424.566 3.882 0 50 HHAA O=C1C[C@@H](N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1Cc1ccccc1 18249827 NQLKMXCVTVGQLV-LJQANCHMSA-N 405.523 3.803 0 50 HHAA Cc1ccc2[nH]c(CN3CCN(C4CCN(C(C)C)CC4)[C@@H](CCO)C3)c(C)c2c1 23145986 FETKUUMNSXBMCP-QFIPXVFZSA-N 412.622 3.526 0 50 HHAA O=C(O)C1=C(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)CCC1 2325877298 OAJULLKYEJYZNA-MRXNPFEDSA-N 411.285 3.878 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)c(Cl)c3n2)cc1OC 848629 FMHAKAVUCNNDMV-UHFFFAOYSA-N 401.728 3.784 0 50 HHAA Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)c1 975645 RYXAKBDWXLROCH-UHFFFAOYSA-N 418.902 3.973 0 50 HHAA CN(c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O 1139511 JXRPFHGXSKDFCB-UHFFFAOYSA-N 408.523 3.925 0 50 HHAA CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1 1161805 RQOBOEZLDGKDNS-QFIPXVFZSA-N 416.433 3.920 0 50 HHAA COC(=O)CSc1nc(-c2ccccc2)nc(NC(=O)c2ccccc2)c1C(C)=O 1186260 ODYMEGDLZILFIV-UHFFFAOYSA-N 421.478 3.864 0 50 HHAA CCOC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2C1=O 1635839 REGNSQQPGRGFAB-KRWDZBQOSA-N 421.902 3.609 0 50 HHAA CCn1cc(-c2cc(C(=O)N(C)Cc3ccnn3CC)c3ccccc3n2)c(C)n1 2805146 AOUNXFBXBJLHTK-UHFFFAOYSA-N 402.502 3.915 0 50 HHAA CC[C@@H](c1nnc(S)n1-c1cnn(Cc2ccc(C)cc2)c1)n1cc(Cl)cn1 2808772 NFEHTLVFRURJSS-KRWDZBQOSA-N 413.938 3.959 0 50 HHAA COC(=O)c1c(NC(=S)N(C)Cc2cn(C)nc2C)sc2c1CC[C@H](C)C2 6232921 CJGMRTHSCIYBPF-NSHDSACASA-N 406.577 3.530 0 50 HHAA COc1cc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)ccc1OCC(C)C 6477806 UJQCOGZHIOQMJW-UDWIEESQSA-N 421.522 3.718 0 50 HHAA COc1cccc(C[C@]2(CO)CCCN(Cc3c(OC)cc(OC)cc3OC)C2)c1 11816402 GWAWKBFUYXZIJO-XMMPIXPASA-N 415.530 3.538 0 50 HHAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cccc(C)n3)C2)c(OC)c1 11938460 BPDUEVDUVPMVPE-IBGZPJMESA-N 411.546 3.716 0 50 HHAA O=C(NCc1cccnc1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 11966245 QOZRJOFNTDFKHY-UHFFFAOYSA-N 402.483 3.593 0 50 HHAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)C3=CCCCC3)C2)c(OC)c1 12076318 PMZAAIYGDOJVLN-SFHVURJKSA-N 414.546 3.839 0 50 HHAA C[C@@H](CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1ccccc1 12297654 KBLVKOWZSKRGLE-SFHVURJKSA-N 406.526 4.000 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)Cn4cccn4)C3)c2)c1 12304247 FWWMYZUKZXMMRH-NRFANRHFSA-N 402.498 3.736 0 50 HHAA CCOC(=O)C1(CC2CC2)CCN(C(=O)CSc2nc3cc(C)ccc3[nH]2)CC1 12307359 NJTXXOPKZCYILY-UHFFFAOYSA-N 415.559 3.935 0 50 HHAA Cc1ccc2nc([C@H]3CCCN3c3nncc(-c4ccc5c(c4)OCO5)n3)[nH]c2c1 12433586 KJCOKHAWJSCKHN-GOSISDBHSA-N 400.442 3.794 0 50 HHAA CSc1nc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cs1 12590403 ZZWOTDKLUQMLIS-AWEZNQCLSA-N 421.563 3.953 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc(OC)c(O)c(OC)c3)C2)c(OC)c1 12708112 JCOITLYCNKLQLU-MRXNPFEDSA-N 415.486 3.522 0 50 HHAA Cc1cccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 15067626 MQYHZQSLZWAFRR-MRXNPFEDSA-N 401.457 3.617 0 50 HHAA Cc1oc(-c2cccs2)nc1CN1CCN(Cc2ccsc2)[C@@H](CCO)C1 23153239 UNEBJTIMZAWRJQ-KRWDZBQOSA-N 403.573 3.842 0 50 HHAA COc1ccc(CN2CCN(C3C4CC5CC(C4)CC3C5)C[C@H]2CCO)c(F)c1 104460938 XCFGTCMPOKXCJK-OVQSOENLSA-N 402.554 3.528 0 50 HHAA O=C(N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1)c1ccc(F)c(F)c1 169753553 LFVFKGGOMDOHHM-MRXNPFEDSA-N 400.404 3.893 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1 169758361 CHCGJJGTZZOPTG-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA O=C(N[C@H]1CCN2CCCC[C@@H]12)c1cccnc1Oc1ccc(Br)cc1 229605448 BKRAGWZUQLQYSL-ROUUACIJSA-N 416.319 3.993 0 50 HHAA C[C@@H]1[C@H](C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CCCN1C(=O)OC(C)(C)C 241465994 NTSIXYCCMDKUEO-NVXWUHKLSA-N 416.497 3.663 0 50 HHAA C[C@@H](OC(=O)c1cc2nc[nH]c2cc1F)c1nc2cc(Br)cnc2[nH]1 328596531 AGEDFCBNEYMCEE-SSDOTTSWSA-N 404.199 3.654 0 50 HHAA CC(=O)N1CCCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)c2ccccc21 791607666 FDQHHOZYRCNJHE-LJQANCHMSA-N 415.287 3.542 0 50 HHAA COc1ccc(-c2ccnc(C3CCN(Cc4cc(CN(C)C)on4)CC3)n2)cc1 952895304 ZPYJDLZKRNWBDV-UHFFFAOYSA-N 407.518 3.581 0 50 HHAA CCc1nc(-c2ncccn2)sc1C(=O)NCc1ccccc1-n1ccnc1C 1857670827 DMRAXPDBJNPQMV-UHFFFAOYSA-N 404.499 3.587 0 50 HHAA COC(=O)c1ccc(NC(=O)N2CCc3nn(C)c(-c4ccccc4)c3CC2)cc1 1857710455 YDNOVLKNHAVFJP-UHFFFAOYSA-N 404.470 3.506 0 50 HHAA O=C1CC[C@@H](Nc2ncnc3scc(Br)c23)[C@H](c2ccccc2)N1 1875303260 JBWQQUVUACTKJF-DOMZBBRYSA-N 403.305 3.886 0 50 HHAA CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2nc(-c3cccc(Cl)c3)cs2)C1=O 1875319391 ALYKIXBUILTECU-IBGZPJMESA-N 415.906 3.554 0 50 HHAA Cn1c(=O)oc2cc(COC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)ccc21 2325820050 YONDXEGWWFBDIU-LSDHHAIUSA-N 402.244 3.741 0 50 HHAA COc1cnccc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356153341 BXFITBXXMVHKGZ-FUKQBSRTSA-N 423.532 3.787 0 50 HHAA Cc1ccc(Cl)c(OC(C)(C)C(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)c1 2356165271 ANXIYOKYGHORHZ-QFIPXVFZSA-N 404.938 3.952 0 50 HHAA CCOc1ccccc1CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 795517 FRVYMKBSTZUOIX-UHFFFAOYSA-N 407.558 3.646 0 50 HHAA CC(=O)[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N(C)C 1083203 BASVVPNJDQEIKA-KRWDZBQOSA-N 414.918 3.726 0 50 HHAA O=C(CSc1nnnn1-c1ccccc1Cl)Nc1ccc(Br)cc1 1146212 IHRJSFVZHOLTFH-UHFFFAOYSA-N 424.711 3.809 0 50 HHAA CCOC(=O)c1ccc(N2C(=O)[C@H]3CS[C@H](c4cccs4)N3C2=S)cc1 1428622 YIPFYUIYAWXZNN-CZUORRHYSA-N 404.538 3.673 0 50 HHAA COCCNC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCCC2 2306481 VOCRJBTXEFGRSQ-UHFFFAOYSA-N 422.934 3.674 0 50 HHAA CCOC(=O)c1ccc(NC(=O)COc2ccc3c(C)c(CC)c(=O)oc3c2)cc1 2315782 RHDJPCPHLRQUAY-UHFFFAOYSA-N 409.438 3.858 0 50 HHAA Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 2860770 YBCCETZWUAOMGC-GOSISDBHSA-N 400.544 3.797 0 50 HHAA CC1(C)Cc2c(sc(NC(=O)c3ccccc3Br)c2C(N)=O)CO1 2867416 MRYKKKCWGYYUJG-UHFFFAOYSA-N 409.305 3.713 0 50 HHAA CN(c1ccc(C(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccc(Cl)cc1 2876024 PPCMUIKOAISWIQ-UHFFFAOYSA-N 404.875 3.688 0 50 HHAA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 4156644 LIGHBPSQVLWRNY-JOCHJYFZSA-N 424.497 3.862 0 50 HHAA CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)ccc1O 9138053 DSLZLKJBTDQYCG-HXUWFJFHSA-N 411.527 3.839 0 50 HHAA C[C@H]1CCCCN1Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 11782501 MHRNBTIABQHAHA-AWEZNQCLSA-N 407.436 3.698 0 50 HHAA COc1cccc(C[C@@]2(CO)CCCN(Cc3cc(F)ccc3-n3cccn3)C2)c1 12201333 PZOHQFFSBCHYAH-DEOSSOPVSA-N 409.505 3.837 0 50 HHAA CCN(Cc1ccccc1)Cc1cnc(S(=O)(=O)CC)n1CCc1ccccc1 12316113 WXNRBSGSQRYMCG-UHFFFAOYSA-N 411.571 3.942 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)C[C@@H](NCc1cccnc1)CC3 15071876 DKROEBIGFLEIDZ-SFHVURJKSA-N 420.513 3.688 0 50 HHAA Fc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc(-n4cccn4)cc3)C2)CC1 19595659 SCFVVOFWRWKQKG-QHCPKHFHSA-N 419.548 3.798 0 50 HHAA CCOc1ccccc1CN1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)N(C)C 19811801 XKYQIJYKXYWTFS-XLIONFOSSA-N 424.570 3.785 0 50 HHAA OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCN1CC1CCCCC1 22914172 JDPCVOADEQOCBH-QFIPXVFZSA-N 400.542 3.665 0 50 HHAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C[C@H]3C=CS(=O)(=O)C3)cc12 77489343 MHJAPQVGADRXLB-MRXNPFEDSA-N 412.486 3.847 0 50 HHAA COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4cc(Cl)ccc4F)C3)[nH]n2)cc1 169754310 KAHBOHZBHSMHIH-OAHLLOKOSA-N 414.868 3.887 0 50 HHAA C[C@H]1C(=O)N(C[C@H](O)COc2cccc3ccccc23)C(=O)N1c1ccc(F)cc1 170124194 VUVVBJHSPNTYTJ-KXBFYZLASA-N 408.429 3.576 0 50 HHAA COC(=O)CSCCC(=O)N[C@@](C)(c1ccc(Br)cc1)C(C)C 170611478 GLGGZVWRQYZSKT-QGZVFWFLSA-N 402.354 3.733 0 50 HHAA CCCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(c3ccccc3)c3ccccc3)C[C@@]23C=C[C@H]1O3 226487371 WFWZUJHWDQHSNP-QDMVCWPOSA-N 403.478 3.511 0 50 HHAA O=C(NC[C@@H]1CC[C@H](O)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 476536506 ASKQRMNWMIOOLZ-NJAFVXNYSA-N 420.553 3.890 0 50 HHAA Cc1sc2nc(CCNC(=O)c3cccc(CCC(C)(C)O)c3)nc(O)c2c1C 670457255 WCKLNJBAJJKWHN-UHFFFAOYSA-N 413.543 3.690 0 50 HHAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NCc2cc(C3CC3)on2)cc1 1704308025 CYYWRPSMFCNXBS-UHFFFAOYSA-N 408.458 3.746 0 50 HHAA CCOc1ccccc1NC(=O)N1CCCN(C(=O)c2ccncc2Cl)CC1 1800414533 SFWRTCDGONPLBD-UHFFFAOYSA-N 402.882 3.514 0 50 HHAA COc1ccc(Cc2nc([C@H]3C[C@@H]4CC[C@H]3O4)n(-c3cccc(C)n3)n2)cc1OC 1857720406 SNAQEVJFCVZGQP-OKZBNKHCSA-N 406.486 3.614 0 50 HHAA CN(C[C@@H]1CC12CCN(Cc1cn3ccc(Br)cc3n1)CC2)C1CC1 2325736159 PZZFQPHVUFSMKX-HNNXBMFYSA-N 403.368 3.793 0 50 HHAA COCCn1nc(-c2ccc(-c3ccccc3)cc2)nc1[C@@H]1CC(=O)N(C2CC2)C1 2325840053 NIQUGHGGILBOFY-HXUWFJFHSA-N 402.498 3.737 0 50 HHAA O=C(NC(=S)Nc1ncc(Br)cc1Br)c1ccccc1 627393 FKQZCORYQDAYHQ-UHFFFAOYSA-N 415.110 3.733 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1095034 DVESZZJQQHNJGR-KRWDZBQOSA-N 403.276 3.610 0 50 HHAA Cc1ccc(OCCOCCOc2cccc(/C=C3\SC(=N)NC3=O)c2)cc1C 2977309 SRMXUSWSHHULFO-ZHZULCJRSA-N 412.511 3.917 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccccc2Cl)cc1 4996191 CJXCTIHKJNIKHR-UHFFFAOYSA-N 406.935 3.856 0 50 HHAA CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 5060523 OVURYBWKLQRWII-UHFFFAOYSA-N 416.543 3.831 0 50 HHAA COc1ccc2[nH]c(=O)c(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2c1 6144062 BMDZOUMSTZYTTI-UHFFFAOYSA-N 420.490 3.932 0 50 HHAA Cc1ccc(C[C@H](CC(=O)O)C(=O)Nc2ccccc2I)cc1 8398042 VPBLKFOYKFKRIT-CQSZACIVSA-N 423.250 3.872 0 50 HHAA O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)N(Cc1ccccc1)Cc1ccccc1 8844256 OZIYZZCNBOGIGS-UHFFFAOYSA-N 419.550 3.970 0 50 HHAA COc1cc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)c(OC)cc1Cl 9341409 OXMTWZYFIZSJRL-UHFFFAOYSA-N 420.868 3.987 0 50 HHAA O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2ccncc2)CC1 12302285 KNJDWOWMPWUTJK-UHFFFAOYSA-N 417.513 3.717 0 50 HHAA COCCc1nc2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)cc2o1 12571345 CEKBNQMKVLRQIG-NRFANRHFSA-N 407.514 3.974 0 50 HHAA COc1ccc(CN2CCC(=O)N(Cc3ccccc3C)CC2)c(Cl)c1OC 14990852 PQGBEDYORHVIAN-UHFFFAOYSA-N 402.922 3.900 0 50 HHAA CCOc1ccc(CN2CCN(Cc3[nH]c4ccccc4c3C)C[C@@H]2CCO)cc1 22932767 FYLLKYZNUBYPTL-NRFANRHFSA-N 407.558 3.944 0 50 HHAA O=S(=O)(c1ccccc1)n1c(Cl)cc2cc(I)cnc21 66054398 MAHKWBKFIWRCPH-UHFFFAOYSA-N 418.643 3.531 0 50 HHAA in-vitro Cc1c[nH]c(C(=O)N2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)n1 67955431 SMSNYHSHWHFTCG-UHFFFAOYSA-N 406.467 3.735 0 50 HHAA CC(C)C[C@@H](C)NC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760275 GXHUECHGURSDFJ-QGZVFWFLSA-N 406.530 3.588 0 50 HHAA COc1ccc(CCC(=O)N2CCN(Cc3c(Cl)cccc3OC)CC2)cc1 170591373 PWIQRXNWRXOZPD-UHFFFAOYSA-N 402.922 3.634 0 50 HHAA CC(C)(C)c1cc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)[nH]n1 225409001 ZSWWTICMWSAKCU-MZNJEOGPSA-N 419.529 3.875 0 50 HHAA Cc1nc(NC(=O)[C@H]2CC[C@H](Cn3c(O)nc4ccccc4c3=O)CC2)sc1C 245257270 YGTFACWUVMDBDI-SHTZXODSSA-N 412.515 3.621 0 50 HHAA CN1C(=O)C[C@@H](N2CCc3c([nH]c4ccccc34)[C@H]2c2c(F)cccc2Cl)C1=O 245318959 YBPVISOEPVLLHB-DYESRHJHSA-N 411.864 3.665 0 50 HHAA CC(C)[C@@H](NC(=O)Cn1cnc2sccc2c1=O)c1nc2ccccc2n1C(C)C 248241404 OPEIEXUFWJVGTJ-LJQANCHMSA-N 423.542 3.902 0 50 HHAA O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)N1CCN(C(=O)c2ccco2)CC1 253410486 NKMKFDYEJHWUHY-IBGZPJMESA-N 411.889 3.699 0 50 HHAA COC[C@@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccc(C)o1 472824894 MZERFVYPKHYACW-OAHLLOKOSA-N 413.305 3.509 0 50 HHAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3nc4ccc(F)cc4[nH]3)CCCCC2)o1 1857526858 CNMLCKFUXYCAOP-UHFFFAOYSA-N 413.449 3.578 0 50 HHAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 1857717702 UKZMIQNKVIMQKV-OAHLLOKOSA-N 414.556 3.875 0 50 HHAA Cc1oc2cc(OC[C@@H]3C[N@]3Cc3cnn(C)c3)ccc2c(=O)c1-c1ccccc1 1875382282 XCXSPRNYVJWKGR-PPHZAIPVSA-N 401.466 3.765 0 50 HHAA O=C(c1cscn1)N1CC[C@@]2(C1)C(=O)N(Cc1cccc(F)c1)c1ccccc12 2100482555 IDKHKKXYOLKBMX-QFIPXVFZSA-N 407.470 3.613 0 50 HHAA O=C(c1ncc(F)cc1F)N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1 2100557200 PHDVKYVDJNISQR-QFIPXVFZSA-N 423.463 3.938 0 50 HHAA COCCCc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)n([C@H]2CCOC2(C)C)n1 2325872746 LFPRBFGXOCHAMR-SFHVURJKSA-N 412.534 3.518 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3ccc(NC(C)=O)c(C)c3)CC1)OCC2 2356142727 FGFKIMNKOPFODF-UHFFFAOYSA-N 408.498 3.666 0 50 HHAA Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2ccccc2)c(O)cn1 2356159160 OOBFDINZNWNQSJ-VAPSRWTKSA-N 405.542 3.653 0 50 HHAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)cc2)c1 909945 HHBMPCWQUPYHDM-SFHVURJKSA-N 401.850 3.624 0 50 HHAA CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1 1015426 IBYVIGBBMQKPDI-CYBMUJFWSA-N 403.276 3.839 0 50 HHAA Fc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(Cl)cc3)CC2)cc1 1137423 SJTOHXMRNGIAMK-UHFFFAOYSA-N 408.868 3.935 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccc(Cl)cc1 1170528 HVANDMXKXKDKJT-UHFFFAOYSA-N 417.712 3.507 0 50 HHAA CC[C@H]1CN(C(=O)N2CCC(C(=O)NCc3ccc(C)o3)CC2)c2ccccc2O1 6846902 SJIYEVJDCNDJGX-SFHVURJKSA-N 411.502 3.714 0 50 HHAA COc1ccc2nc(N3CCC[C@H]3C(=O)NCCCc3ccccc3)nc(C)c2c1 12184798 QRPLNMGTBKHALG-QFIPXVFZSA-N 404.514 3.665 0 50 HHAA O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1 12303034 BZZRKZDXFYRFIT-UHFFFAOYSA-N 407.562 3.590 0 50 HHAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1I 12406015 PFJRAOBFCFIMJG-UHFFFAOYSA-N 420.250 3.780 0 50 HHAA CCc1nccn1CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 12438346 XOIJRANIXLJEPX-HXUWFJFHSA-N 421.545 3.860 0 50 HHAA COc1cccc(NC(=O)CCC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 12703340 AWZQPUSTYOQYFP-UHFFFAOYSA-N 402.516 3.515 0 50 HHAA COc1cccc(C(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c1OC 13009545 CZHJRQXDUMXROH-UHFFFAOYSA-N 416.441 3.675 0 50 HHAA CC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1cccc3ccccc13)C(=O)N2CCOC 14754677 XXCXDUZZRGBXQW-IBGZPJMESA-N 423.557 3.884 0 50 HHAA Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C(N)=O)cc1C 17081992 JWLSNJKUNIOSFV-HUUCEWRRSA-N 400.500 3.960 0 50 HHAA OCC[C@@H]1CN(Cc2ccc(CN3CCCCC3)s2)CCN1Cc1ccccc1 19757636 VATDPBUZVCKQBB-JOCHJYFZSA-N 413.631 3.803 0 50 HHAA COc1ccc(CN2CCN(Cc3cc(F)ccc3F)C[C@@H]2CCO)c(C)c1C 22913030 MHJUUMKETMQWDX-NRFANRHFSA-N 404.501 3.659 0 50 HHAA CCOC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(C)=O 35238644 RWEZKARWHNFJDZ-IBGZPJMESA-N 405.292 3.650 0 50 HHAA Cc1ccc2c(c1)CN(CCC(=O)N1CCC([C@H](O)c3ccccc3)CC1)C[C@@H](C)O2 39354731 XPTRGIZHCYWHAA-FQRUVTKNSA-N 422.569 3.940 0 50 HHAA Cc1cccc(CN(C)Cc2nnc(SCCCO)n2-c2cccc(Cl)c2)n1 55099626 BFWWKUPTKWGUBC-UHFFFAOYSA-N 417.966 3.731 0 50 HHAA CO[C@@H]1CCCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 55244903 GKFDKSXLDNKBGZ-OAQYLSRUSA-N 420.557 3.568 0 50 HHAA Cc1ccc(CNc2cccc(C(=O)N3CCC([C@@H](O)c4nccn4C)CC3)c2)cc1 55341132 TWWWZQOPYLPWEB-HSZRJFAPSA-N 418.541 3.926 0 50 HHAA COc1ccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c(OC)c1 169753515 ZIAJVLPPHDIUOJ-QGZVFWFLSA-N 424.476 3.632 0 50 HHAA CCN(CC)c1ccc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c(C)c1 169760350 OHFFNQYMGWCRLL-UHFFFAOYSA-N 421.545 3.558 0 50 HHAA C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1 237344326 DAMHNIXJQVMKJI-ZDUSSCGKSA-N 422.403 3.727 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 239302929 FUQKGAWRINVOJB-RJEFXAGKSA-N 418.559 3.865 0 50 HHAA CN1C(=O)C[C@H](N2CCc3c([nH]c4ccccc34)[C@H]2c2c(F)cccc2Cl)C1=O 245318960 YBPVISOEPVLLHB-LAUBAEHRSA-N 411.864 3.665 0 50 HHAA CCOc1ccc(C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1OCC 252484897 GKCFKQWMULTBHA-JOCHJYFZSA-N 406.523 3.861 0 50 HHAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccc(C(C)C)cc4)c3CO2)cc1 263617226 MTYZXJBPZLPOLJ-OAQYLSRUSA-N 406.486 3.612 0 50 HHAA COC(=O)COc1ccc([C@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 468978443 LTWCGRWXWZBYOB-ZDUSSCGKSA-N 413.861 3.773 0 50 HHAA Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@@H](C)C[C@H](O)c1ccccc1)CC2 762688916 CTLXKTMAZLRGLR-PNPHSEOMSA-N 407.436 3.537 0 50 HHAA C[C@@]1(CNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)OCCc2ccccc21 1254685947 HHMPDFKCCHPAPB-ICSRJNTNSA-N 408.420 3.526 0 50 HHAA COc1ccc(SC)c(OC)c1C(=O)NC[C@H]1CN(Cc2ccccc2)C[C@@H]1C 1462132837 YSWCJCSUCJEQEY-WMZOPIPTSA-N 414.571 3.924 0 50 HHAA O=C(O)C[C@@H]1CCC2(CO1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 1857783238 BWVNJNXRECWQJJ-INIZCTEOSA-N 407.466 3.891 0 50 HHAA Cc1cccc2[nH]cc(CC(=O)N3CCN([C@H](CO)c4cccc(Cl)c4)CC3)c12 1875262447 AMCCXQZTSGUROP-OAQYLSRUSA-N 411.933 3.550 0 50 HHAA Cc1c(Cl)cccc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1 656753 WBADJOKYXUDIFP-UHFFFAOYSA-N 418.902 3.753 0 50 HHAA CCOC(=O)C1=CN(CCc2ccccc2)C=C(C(=O)OCC)C1c1ccc(O)cc1 1066691 OBZYUAKFNJVCDB-UHFFFAOYSA-N 421.493 3.928 0 50 HHAA Cc1ccc(CSCCNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 2871801 OWBQZKXRTLRTBV-SFHVURJKSA-N 420.600 3.508 0 50 HHAA CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2Cl)CC1 4412904 VVZVKEFOZZFIDX-UHFFFAOYSA-N 415.921 3.643 0 50 HHAA O=C(CCS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1 4810240 FRYPKFQTMNXYSJ-MRXNPFEDSA-N 406.866 3.873 0 50 HHAA O=C(c1cccc(Cl)c1)[C@@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 14956169 JUQFRAIWUIMGAX-MRXNPFEDSA-N 405.951 3.728 0 50 HHAA O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 15004613 PMVTUORANDBTDU-SFHVURJKSA-N 413.399 3.825 0 50 HHAA CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 15066308 GNQGIDZUSGKDIW-QHCPKHFHSA-N 422.525 3.504 0 50 HHAA CCCCn1c(CN2CCOc3ccc(Cl)cc3C2)cnc1S(=O)(=O)CC 55061062 HLNSWMSEMNLZAH-UHFFFAOYSA-N 411.955 3.525 0 50 HHAA Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1cccc(Cl)c1)CC(=O)N2 65365907 SWBBWKQGLSXTKF-MRXNPFEDSA-N 408.893 3.698 0 50 HHAA CCC1(CC)CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)C1 82121758 MYGOQSNTGYJCQJ-JOCHJYFZSA-N 412.622 3.797 0 50 HHAA CN(C)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc1 169775360 GTRCOOJCXUQCSK-LJQANCHMSA-N 407.493 3.681 0 50 HHAA COCCN1CCC[C@H](Cn2ccnc2-c2cc3ccc(Cl)cc3nc2O)C1 1857695949 GCPWADHZIRDRPL-HNNXBMFYSA-N 400.910 3.816 0 50 HHAA Nc1c(C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)nnc2ccccc12 1875256068 UHLNRUHCWDOBLV-UHFFFAOYSA-N 401.442 3.642 0 50 HHAA CC[C@H](Oc1ccccc1C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCCC1 1875344195 GYAFRACBTNNFJY-YADHBBJMSA-N 408.542 3.892 0 50 HHAA COc1nn(C)cc1-c1nc(-c2cccnc2)nn1-c1cccc(Br)c1 1875349486 ZFJIDIVSGGNRIG-UHFFFAOYSA-N 411.263 3.501 0 50 HHAA Cn1cc(CN2CC[C@@]3(C2)C(=O)N(CCCc2ccccc2)c2ccccc23)cn1 2100473591 IZGNVONLKMOKJH-VWLOTQADSA-N 400.526 3.543 0 50 HHAA Cc1ccc(-n2cnc3c2CCN(C(=O)Nc2ccc(Br)nc2)C3)cc1 2325743879 UNLQUWWHXWKRFP-UHFFFAOYSA-N 412.291 3.928 0 50 HHAA O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 869674 NWNXMHPXDPMYEG-UHFFFAOYSA-N 410.451 3.511 0 50 HHAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 1001807 BHIAMQAOODXPAS-UHFFFAOYSA-N 400.431 3.887 0 50 HHAA O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccc1O 1134085 LVPJOOFDULXFIF-VWLOTQADSA-N 401.462 3.832 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2cccc(C)c2C)cc1 1152910 MVSSZSACKFWKLU-UHFFFAOYSA-N 412.511 3.717 0 50 HHAA CSCC[C@H](C(=O)N1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 2072001 WRFQDQIWGURORS-OAHLLOKOSA-N 415.342 3.724 0 50 HHAA CSCC[C@@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 2447874 GJQHFODENASHAQ-HNNXBMFYSA-N 411.508 3.653 0 50 HHAA CC(C)(C)OC(=O)N[C@H](Cc1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)O 2576798 VEVIIGJEOXYKAV-GOSISDBHSA-N 414.458 3.956 0 50 HHAA O=C(NCCCCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 2906467 BZRPXPVZGUPWQX-KRWDZBQOSA-N 415.331 3.941 0 50 HHAA COc1cc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)ccc1F 104349236 RZSYFHNSQOFIGK-OAQYLSRUSA-N 416.537 3.529 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCNC(=O)C2(C)C)cc1F 55383080 ATXCXRBOPRKBPS-UHFFFAOYSA-N 422.504 3.706 0 50 HHAA COCCNC(=O)c1cccc(OC2CCN([C@H](C)Cc3ccc(C)cc3)CC2)c1 20168205 DFSQYLVOLGGJLQ-HXUWFJFHSA-N 410.558 3.846 0 50 HHAA Cc1cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCOC2)c(C)n1-n1cnnc1 65374404 ZYXGBUQMGZUDBG-LJQANCHMSA-N 402.502 3.965 0 50 HHAA CCOc1ccc(OCc2cccc(-c3nc4c5cnn(C)c5ncn4n3)c2)cc1 2800048 OQQXZFGSNSJOJL-UHFFFAOYSA-N 400.442 3.656 0 50 HHAA COc1cc(-c2cnnc(NCc3csc(C(C)C)n3)n2)cc(OC)c1OC 12432719 HQAGPUFTSROVJX-UHFFFAOYSA-N 401.492 3.756 0 50 HHAA c1ccc2c(c1)CC(N1CCC(CN(Cc3ccncc3)C[C@@H]3CCCO3)CC1)C2 11938491 RUUAFROVJDGKFT-SANMLTNESA-N 405.586 3.942 0 50 HHAA O=C(c1cccc2ccccc12)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72437167 KGIIGQOSSWRGSX-UHFFFAOYSA-N 401.514 3.583 0 50 HHAA CCOc1cc(C(N)=O)cc(I)c1OCc1ccccc1C 216835421 RMQBCIWREOQYLJ-UHFFFAOYSA-N 411.239 3.676 0 50 HHAA C[C@H](C(=O)Nc1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1)n1cccn1 301077864 JSHKXOWLNCMDKL-MRXNPFEDSA-N 424.468 3.955 0 50 HHAA C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)COc2ccc(I)cc2)C1 170594673 AWPYDMKHJFQTIN-DYVFJYSZSA-N 422.266 3.675 0 50 HHAA CO[C@H]1Cc2ccc(NC(=O)c3ccc4c(c3)nc(O)n4CC(F)(F)F)cc2C1 753045837 JJBPGGINUPJPOL-HNNXBMFYSA-N 405.376 3.670 0 50 HHAA CC(=O)Nc1cc(C(=O)NC[C@@H](O)c2cccc(Cl)c2)cc(C(F)(F)F)c1 761168955 ZACLOFASZMHDKY-MRXNPFEDSA-N 400.784 3.781 0 50 HHAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)cc1Cl 12302644 BLHJSWIYPBKBJG-CQSZACIVSA-N 404.898 3.651 0 50 HHAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 12458819 LWHWMDFTCLDGCI-GOSISDBHSA-N 410.514 3.584 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cnn(C(C)C)c2)C1 14976185 FNVOZPNNTGPXKU-JOCHJYFZSA-N 419.472 3.770 0 50 HHAA O=C(Cn1nc2c(cc1=O)CCCCC2)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 169774372 UYHQDDJZNAJZPX-LJQANCHMSA-N 424.932 3.841 0 50 HHAA Cn1c(=O)c(-c2nccn2[C@H]2CCCN(C(=O)c3ccccc3)C2)cc2ccccc21 1857693188 MDQFGAPRRIBMQS-FQEVSTJZSA-N 412.493 3.879 0 50 HHAA CC(C)[C@@H](NC(=O)CN[C@H](C)c1cnn(C2CC2)c1)c1ccc2c(c1)OCCCO2 1875316544 YJHLQBKKJJQOIN-WAIKUNEKSA-N 412.534 3.543 0 50 HHAA Cc1cc(-c2nc([C@H]3CC34CC4)nn2C2CCN(C)CC2)c(C)n1-c1ccn(C)n1 2325872618 GJZKXVCYXPGOAO-LJQANCHMSA-N 405.550 3.620 0 50 HHAA O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 657010 CZACJESJAYSYAO-UHFFFAOYSA-N 424.450 3.566 0 50 HHAA O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl)N1CCOCC1 844919 WXCHKMHOIBEIMP-UHFFFAOYSA-N 410.783 3.541 0 50 HHAA CCCCNS(=O)(=O)c1ccc(C)c(-c2nnc3c4ccccc4c(C)nn23)c1 2397585 MKPCTGDTSVYLFD-UHFFFAOYSA-N 409.515 3.640 0 50 HHAA O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccc2c(c1)OCO2 2865792 WRAKFLWFJMMIAV-UHFFFAOYSA-N 420.450 3.685 0 50 HHAA CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 4191006 OTQDLQQBDUZGJH-JFNLIGNMSA-N 422.493 3.549 0 50 HHAA CC[C@@H]1C[C@@]1(NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)c1cccc(C)c1 410181529 RUULIXPROWGMLB-LSWJPFSZSA-N 418.603 3.721 0 50 HHAA CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 9584493 ZFEVPVIDDMXIDY-LJQANCHMSA-N 402.878 3.609 0 50 HHAA Cc1cc(C)cc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)c1 101834271 KAKUBLYVCPXEQE-CNNODRBYSA-N 412.555 3.804 0 50 HHAA OCC[C@H]1CN(C2CCN(c3ccc(Cl)cc3)CC2)CCN1Cc1ccccc1 20452616 JSSUDFYYXWDONC-DEOSSOPVSA-N 413.993 3.878 0 50 HHAA CC(C)c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 7560876 LXGIMLJYYIRCHJ-UHFFFAOYSA-N 403.573 3.513 0 50 HHAA CCOc1ccc(CN2CCN(Cc3nc(C(C)C)cs3)C[C@@H]2CCO)cc1 96901448 WABGBSSNCVVKBK-IBGZPJMESA-N 403.592 3.734 0 50 HHAA Cc1c(CC(=O)N[C@@H](C)CO)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 253399588 DCOGSPLIRZKZSR-ZDUSSCGKSA-N 405.450 3.863 0 50 HHAA biogenic Cc1c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cccc1C(=O)Nc1nccs1 828320364 CAPFRHVOAKLDPM-OAHLLOKOSA-N 406.467 3.768 0 50 HHAA Cc1cc(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)ccc1NC(=O)c1ccco1 1356026731 RGKJIZGNEHPSAL-DEOSSOPVSA-N 417.465 3.627 0 50 HHAA O=C(CCCc1nc(-c2ccco2)no1)N1CCCN(Cc2ccc(F)cc2)CC1 1506404184 GJFPIDIXKRNPCE-UHFFFAOYSA-N 412.465 3.526 0 50 HHAA COC[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 12318397 CNVBMOHOWJDSIS-HXUWFJFHSA-N 423.557 3.624 0 50 HHAA COc1cccc(C[C@]2(CO)CCCN(Cc3cc(Cl)c(O)c(OC)c3)C2)c1 12438830 SYOTVEJLSOREMZ-JOCHJYFZSA-N 405.922 3.880 0 50 HHAA Cn1nccc1C(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 14961697 MANQMLNFBVWVBQ-CQSZACIVSA-N 401.388 3.839 0 50 HHAA O=C(N[C@@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1ccc(Br)o1 169754183 NJLFBSUODGYUSD-SNVBAGLBSA-N 407.293 3.502 0 50 HHAA Cc1nn(C(C)C)c(C)c1C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857723542 KNIPWTMGUPZYRS-GMAHTHKFSA-N 410.562 3.759 0 50 HHAA CO[C@H]1C[C@@H](c2nc(COc3ccc(F)cc3)nn2-c2ccccc2F)CC[C@@H]1N 1857725456 XQLVVMHXELOYLC-DCPHZVHLSA-N 414.456 3.734 0 50 HHAA Cc1ccn(-c2cc(COC(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)ccn2)n1 1875263787 FIPOZRVGBMCBIK-UHFFFAOYSA-N 416.485 3.945 0 50 HHAA COc1ccc2c(c1)OCC=CCC1(CCCC1)C(=O)NC[C@H]1CCCCN1C2=O 1875369664 AMIBUBJOEOAHFY-GOSISDBHSA-N 412.530 3.705 0 50 HHAA CCc1ncnc(N(C)CC2CCN(C(=O)c3cc4cccc(C)c4[nH]3)CC2)c1F 1875329667 CFLKGPQWTMMJTP-UHFFFAOYSA-N 409.509 3.956 0 50 HHAA NC(=O)c1cccc(Oc2ccc(NC(=O)NCc3cn4cccc(F)c4n3)cc2)c1 1875336747 GJSQJZPOVRYSSP-UHFFFAOYSA-N 419.416 3.686 0 50 HHAA CN(CCc1nc2ccccc2[nH]1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 1306860975 FIPUAPVRTHWETJ-UHFFFAOYSA-N 409.877 3.900 0 50 HHAA C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)C[C@@H](C)O1 3623301 GCUTVJMZNUAOFY-ZIAGYGMSSA-N 417.303 3.951 0 50 HHAA COc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1OC 13009543 YYPDALFAGMAEAP-UHFFFAOYSA-N 416.441 3.675 0 50 HHAA NC(=O)Cc1c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)[nH]c2ccccc12 2325822827 QWAVACQYNGHKTM-UHFFFAOYSA-N 411.889 3.533 0 50 HHAA Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 640196 MNEBROQQBWAQGD-UHFFFAOYSA-N 404.557 3.651 0 50 HHAA COc1ccccc1NC(=S)N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl 2913322 UGHJRBACEPFLIQ-LLVKDONJSA-N 412.770 3.840 0 50 HHAA COc1cc(CN(C2=NS(=O)(=O)c3ccccc32)c2ccc(C)cc2)ccc1O 4561770 PZLRRBHVJNMXMI-UHFFFAOYSA-N 408.479 3.865 0 50 HHAA Cc1nnc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2)s1 9147027 OLEPYFBNUWICQZ-LBPRGKRZSA-N 423.527 3.609 0 50 HHAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cnsn4)C3)cc2)c1 11753757 LVTZNUUIEKSDBI-QGZVFWFLSA-N 422.510 3.705 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)Nc2ccccc2C(=O)OC)C1 12210340 FCLFPAHODRKFLW-DEOSSOPVSA-N 424.497 3.893 0 50 HHAA C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)C1 12245355 RYRMZYLGUDNAFM-CQSZACIVSA-N 407.436 3.556 0 50 HHAA O=C1NCCN(Cc2cccc(Oc3ccccc3)c2)[C@@H]1CC(=O)N1CCCCCC1 12472495 GJUBZYVKJNNTRN-HSZRJFAPSA-N 421.541 3.572 0 50 HHAA CN(C)CCNC(=O)c1ccc(OC2CCN(C3CCCCC3)CC2)c(Cl)c1 12759282 PEKMJMULWVAANE-UHFFFAOYSA-N 407.986 3.807 0 50 HHAA CCN(CC)CCSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1 13154235 ZEKPMDPHCNBZHX-UHFFFAOYSA-N 409.555 3.963 0 50 HHAA COc1ccc(OCC(=O)NC[C@@H]2Cc3cc(-c4ccc(C)cn4)ccc3O2)cc1 14885964 NSYGSNYYAWKWMI-NRFANRHFSA-N 404.466 3.564 0 50 HHAA CCn1nc(C)cc1C(=O)N1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 14963026 OIMRPSWJOYIWAJ-QGZVFWFLSA-N 400.498 3.930 0 50 HHAA O=S(=O)(c1ccc(-c2csc(Nc3ccccc3)n2)cc1)N1CCOCC1 15230906 ZCZCOCHYIRQSID-UHFFFAOYSA-N 401.513 3.575 0 50 HHAA Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCCC(=O)O)cc2)c(C)c1 17082865 JASSUOMHYKAMDG-UHFFFAOYSA-N 404.488 3.606 0 50 HHAA COC(=O)c1cc(C)sc1NC(=S)N1CCN(C/C=C/c2ccccc2)CC1 20344885 XDFYTPJYWNEKRJ-RMKNXTFCSA-N 415.584 3.871 0 50 HHAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(CCC(C)C)[C@@H](CCO)C1 20908617 UGCGHCLEVHEWLA-QFIPXVFZSA-N 402.558 3.543 0 50 HHAA Cc1ccc(C)c(N2N=C(C(=O)N(CC(F)F)C[C@H]3CCC=CO3)CCC2=O)c1 170600573 FHKRLRZQIJOVBO-MRXNPFEDSA-N 405.445 3.573 0 50 HHAA Cc1cccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cc4cccc(C)c4[nH]c3=O)C2)c1 170620234 NIIQAVYTQLXJDV-FQEVSTJZSA-N 417.465 3.687 0 50 HHAA CC(=O)NC1CCC(N(C)C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1 430808988 OJVKIHGLELRSGV-UHFFFAOYSA-N 409.317 3.698 0 50 HHAA C[C@H]1CN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CCN1CC(C)(C)O 444876786 SGPTVVBATCCABF-HNNXBMFYSA-N 418.925 3.836 0 50 HHAA O=C(O)C1=NO[C@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 725240716 YKWVKEARKRRPIJ-HSZRJFAPSA-N 406.438 3.631 0 50 HHAA Cc1oc(-c2ccccc2)nc1COC(=O)/C(=C/c1cccc(F)c1)n1nnnc1C 818195220 WTPWUBMWIPOQKQ-NDENLUEZSA-N 419.416 3.826 0 50 HHAA Cn1cc(-n2nc(Cc3c(Cl)cccc3Cl)nc2[C@@H]2C[C@@H]3CC[C@H]2O3)cn1 1857736506 RPKUTCQLECZMEM-DXCKQFNASA-N 404.301 3.933 0 50 HHAA COc1ccc2c(c1)[C@H](C(=O)Nc1c(C)cnn1Cc1ccc(Cl)cc1)CC(=O)N2 1875247873 RUBULGRLKJHUHW-GOSISDBHSA-N 424.888 3.966 0 50 HHAA Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 1875316233 CMNXARKWHWSAPK-LBPRGKRZSA-N 424.398 3.999 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)CC1 1875371424 AFJZNAPMDPMODM-NRFANRHFSA-N 419.363 3.797 0 50 HHAA Cc1ccc(CNC(=O)C(=O)NCc2ccc3c(c2)COC3)c(O[C@@H](C)CC(C)C)c1 2325722483 GZOPDEAYVWRNOS-SFHVURJKSA-N 424.541 3.771 0 50 HHAA COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 917488 OTSZYYXGZAONFY-UHFFFAOYSA-N 423.903 3.858 0 50 HHAA COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc(C)s1 1130346 TZMUPNXAEDYEBO-UHFFFAOYSA-N 401.459 3.909 0 50 HHAA COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2OC)cc1 1148480 VIVRQTBKVFQUBW-UHFFFAOYSA-N 406.438 3.974 0 50 HHAA COc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)cc1Br 2970679 PUTJTVXHWGVKOT-UHFFFAOYSA-N 416.362 3.837 0 50 HHAA CCOc1ccccc1C(=O)Oc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C 4811121 VDTGVOLBLLERKU-UHFFFAOYSA-N 410.422 3.743 0 50 HHAA COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(O)nn2[C@H]1CCOC(C)(C)C1 5625270 UEPNIWSBMBAOKJ-SJCJKPOMSA-N 403.504 3.502 0 50 HHAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)CN(C)Cc2cccnc2)c1 12195086 JXTZUGFISLBNAH-QFIPXVFZSA-N 403.530 3.510 0 50 HHAA CC(C)c1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)cc1 12204868 XDJYQRKDPPXYFE-FCHUYYIVSA-N 400.563 3.619 0 50 HHAA O=C1C[C@@H](c2ccc(OCc3ccccc3F)cc2)c2c(n3ccsc3nc2=O)N1 12375539 CYEIXONFWDLPBH-INIZCTEOSA-N 421.453 3.948 0 50 HHAA CCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccc(OC)c3)CC2)C1=O 14740942 OJZDISCITNRCSU-UHFFFAOYSA-N 421.541 3.557 0 50 HHAA Cc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 20599110 OFRZCWUFJFPXLL-FQEVSTJZSA-N 421.545 3.755 0 50 HHAA Cc1nn2c(ncc3c(=O)n(NC(=O)c4ccccc4)ccc32)c1-c1ccc(F)cc1 40396995 QCKDDPQOAAIRIJ-UHFFFAOYSA-N 413.412 3.543 0 50 HHAA Cc1ccc(Oc2ncccc2CNC(=O)c2c[nH]c(=O)c(Cl)c2)c(F)c1F 67878406 XYJYXSOVHXQTBL-UHFFFAOYSA-N 405.788 3.732 0 50 HHAA CS(=O)(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)C[C@@H]1Cc1ccccc1 91997866 OKOQYZQXFBVXQB-QHCPKHFHSA-N 420.534 3.573 0 50 HHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCN(c3ccccc3Cl)CC1)[C@H]2C(=O)O 101219347 RZZMIAUVCBPSGP-IONDEXAJSA-N 402.922 3.682 0 50 HHAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4Cl)ccn3n2)c(C)c1 169775770 CGDWGQIBCDPGCX-UHFFFAOYSA-N 420.900 3.863 0 50 HHAA Cc1cn2c(CNC[C@H](c3ccc(Cl)cc3)N3CCOCC3)c(C)nc2s1 237918243 IWKYBWRRDBHLHF-LJQANCHMSA-N 404.967 3.829 0 50 HHAA O=C(Nc1ccc(O)cc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 253388006 IHOSQNPRLWGBBR-SHTZXODSSA-N 422.934 3.769 0 50 HHAA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ncc(C(F)(F)F)cc1Cl 263639714 FRQVJIFJQCDMFL-ZDUSSCGKSA-N 407.820 3.770 0 50 HHAA CC(C)(CNC(=O)c1cnc(C2OCCO2)s1)c1ccc(Br)cc1 408516135 RYQWXSIGIISTAY-UHFFFAOYSA-N 411.321 3.659 0 50 HHAA C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)CC[C@H]1O 428686354 ZVJXGQJTSPCUIG-RXCDQQBJSA-N 420.553 3.842 0 50 HHAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cc(F)cc3cccnc13)CC2 431972192 MOWSQDGXOMDRFP-GOSISDBHSA-N 424.428 3.605 0 50 HHAA COc1ccccc1-n1cc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cn1 670460698 TVHJZWRCOCQUOJ-HSZRJFAPSA-N 402.542 3.556 0 50 HHAA Cc1ccc2oc(CN3C[C@H]4CN(Cc5scnc5C)C[C@]4(CO)C3)c(C)c2c1 1772707914 YWGWYDYNJSROFV-MBSDFSHPSA-N 411.571 3.741 0 50 HHAA CC(=O)N1CCC[C@@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCC2=CCCCC2)C1 1875248248 GAGCZPKLJSZRCJ-RUZDIDTESA-N 417.557 3.699 0 50 HHAA C[C@@H](NC[C@@H]1OCCc2ccccc21)c1cnn(-c2cccc(Br)c2)n1 2325854154 QAGVIPAJTDSKNY-VLIAUNLRSA-N 413.319 3.994 0 50 HHAA COC(=O)C1=CN(CCc2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccs1 909216 MEAFSDJFUAWTKM-UHFFFAOYSA-N 413.495 3.512 0 50 HHAA O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 1095626 QWOYGAZMDDEGML-SFHVURJKSA-N 415.902 3.680 0 50 HHAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 1200159 WVVMTMSRKFKRIK-SFHVURJKSA-N 401.850 3.624 0 50 HHAA O=C(Nc1ccc2c(c1)OCO2)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 1216368 MJZCOFFEVVHSAA-UHFFFAOYSA-N 416.315 3.989 0 50 HHAA COc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc(Br)c1OCc1ccccc1 2501110 YTLSLXBJQVQBSF-WMLDXEAASA-N 424.316 3.825 0 50 HHAA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=O)N1C 2568731 AZGPUABLWBGKKR-IBGZPJMESA-N 400.862 3.932 0 50 HHAA CCOc1ccc(Nc2nc([C@]3(C)C[C@]4(C[C@H](C)OC4=O)C(=O)O3)cs2)cc1 3999885 WRSQOWMVQOLIQH-OUWQEXSBSA-N 402.472 3.769 0 50 HHAA biogenic CCOc1ccc(Br)cc1[C@@H]1NC(=S)NC(C)=C1C(=O)OC(C)C 5573499 GUEHCIIYVHOOKM-HNNXBMFYSA-N 413.337 3.592 0 50 HHAA COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3cccc(Cl)c3)n2)c1 6603387 UOBOPVQCCLTLKH-UHFFFAOYSA-N 404.879 3.873 0 50 HHAA COC[C@H](C)NC(=O)c1cc(NC(=O)C(C)C)cc2nc(C)n(Cc3ccccc3)c12 11911677 OEXOLAHWKYLOOL-INIZCTEOSA-N 422.529 3.752 0 50 HHAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)COc2ccc(Cl)cc2)O3)n1 12023240 SVZMPDNYLIOWJM-FQEVSTJZSA-N 423.900 3.913 0 50 HHAA COc1cc(C(=O)NC2(c3ccccc3)CC2)ccc1OC1CCN(C(C)=O)CC1 12051411 XOPNSZAPVPGMBJ-UHFFFAOYSA-N 408.498 3.504 0 50 HHAA COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)N(Cc3ccc(F)c(F)c3)C2)cc1 12135909 NRDRKCOCMBUCHA-XLIONFOSSA-N 406.498 3.797 0 50 HHAA C[C@H](c1ccco1)N(C)Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 12190467 NUOJNCXHHATDHU-CQSZACIVSA-N 422.510 3.701 0 50 HHAA O=C(NCc1ccccc1-n1cncn1)c1csc2nc(-c3cccc(F)c3)cn12 12298748 PFCCFOHCYYQNKG-UHFFFAOYSA-N 418.457 3.713 0 50 HHAA O=C(CCc1ccccc1)Nc1ccc(N2CCC(NC[C@H]3CCCO3)CC2)cc1 12573218 HAMAQUVOWFQXOQ-XMMPIXPASA-N 407.558 3.995 0 50 HHAA O=C1C[C@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(Cl)cc1 18271303 JNINZMABMZHBPH-SFHVURJKSA-N 409.873 3.993 0 50 HHAA Cc1ccc(OCCN(C)Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)cc1 19758009 NDNOGGNRBIPDIH-UHFFFAOYSA-N 419.591 3.686 0 50 HHAA COc1ccc(CN2CCN(Cc3ccccc3OC)CC2)cc1Br 19781655 PFAAYDKCJPOGKX-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA CCOC(=O)C(COCc1ccccc1)(COCc1ccccc1)C(=O)OCC 216217094 DWTIQBRFUBHCSP-UHFFFAOYSA-N 400.471 3.533 0 50 HHAA in-vitro CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 225689001 ANUQLYUWURSXPF-FDDCHVKYSA-N 416.518 3.624 0 50 HHAA C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)c1ccco1 240407429 FMDJRKFQSBBPQJ-WBMJQRKESA-N 410.301 3.867 0 50 HHAA Cc1csc(CCCNC(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)n1 241170964 KDEJBRWCAPVMCZ-DLBZAZTESA-N 411.493 3.811 0 50 HHAA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)CC1 245255284 HAHFVBKIQQOUAT-XUTJKUGGSA-N 415.578 3.662 0 50 HHAA COc1ccc(CCNC(=O)c2cc3c([nH]c4ccccc43)c(=O)s2)cc1OC 952987087 PRLFORYIIGWETG-UHFFFAOYSA-N 408.479 3.733 0 50 HHAA CCc1nsc(N2CCN(c3nnc(-c4ccccc4)cc3C(F)(F)F)CC2)n1 1322090780 XEVGGPLADPVOQX-UHFFFAOYSA-N 420.464 3.903 0 50 HHAA CN(CC(=O)Nc1nnc([C@H]2CCCO2)s1)Cc1csc(-c2cccs2)n1 1506400154 IPRYOUFTAGXFJP-GFCCVEGCSA-N 421.573 3.645 0 50 HHAA CCC(=O)N1CCC2(CC1)OCCc1sc(C(=O)N3CCCCC34CC4)cc12 1857682341 JFCMOKNEMUZUHB-UHFFFAOYSA-N 402.560 3.707 0 50 HHAA COc1ccc2[nH]c(CNC(=O)C[C@H]3CCCN(c4nc5ncccc5o4)C3)cc2c1 1857733854 BOMWSOOHTVHZIL-OAHLLOKOSA-N 419.485 3.636 0 50 HHAA C=CC(=O)N1CCCc2cc(C(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)ccc21 1875371552 FRDGTNKQJKYYEN-NRFANRHFSA-N 412.436 3.644 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCC(c3ccccc3Br)CC2)CC1 2325884133 KDJMNQRYFNUDDE-UHFFFAOYSA-N 405.336 3.580 0 50 HHAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4cccnc4)c3n2)cc1 815403 GTRKCTHSMFKRJT-UHFFFAOYSA-N 409.396 3.668 0 50 HHAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 844406 QWRRGCMLBCNIRF-PGRDOPGGSA-N 422.481 3.616 0 50 HHAA biogenic Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 884710 LJOYNDBBBDAMAC-WBVHZDCISA-N 418.423 3.515 0 50 HHAA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccccc2Br)NC(=O)N1 1162243 GKHIKWPTRDYNDI-MRXNPFEDSA-N 422.229 3.994 0 50 HHAA Cc1sc2ncn(CCCCn3cnc4sc(C)c(C)c4c3=O)c(=O)c2c1C 1783387 UNRLCYURWJFYJV-UHFFFAOYSA-N 414.556 3.943 0 50 HHAA Cc1ccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@]2(O)C(F)(F)F)o1 4163662 LFPZJDCQIUXPQO-HNNXBMFYSA-N 417.181 3.852 0 50 HHAA CC(=O)N(CC[C@@](CCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C 4212146 GTEPPJFJSNSNIH-JOCHJYFZSA-N 407.986 3.586 0 50 HHAA investigational O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cccc(N2CCCC2=O)c1 11754001 PABIUTWIDPBFIO-HXUWFJFHSA-N 418.472 3.946 0 50 HHAA Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)CN2CCCCCC2)C1 11933114 QXJOMRDUOSLBQX-IBGZPJMESA-N 403.542 3.967 0 50 HHAA CCn1ccnc1CN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 11936137 VQIGBWXFJWDVPY-UHFFFAOYSA-N 414.579 3.651 0 50 HHAA CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 11952100 QKIYDWXMDYSIDX-UHFFFAOYSA-N 411.546 3.764 0 50 HHAA CCn1nc(C)c(CNC(=O)c2cc(COc3ccccc3SC)on2)c1C 12029174 LSYRCHGWAXQRKI-UHFFFAOYSA-N 400.504 3.739 0 50 HHAA COc1ccccc1NC(=O)[C@H]1CC12CCN(Cc1cc3ccccc3[nH]c1=O)CC2 12049226 YNHMECKPTMSESA-LJQANCHMSA-N 417.509 3.778 0 50 HHAA O=C1CC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)CN1Cc1ccccn1 12439385 ZXCNLJZGBFAUNW-QFIPXVFZSA-N 405.542 3.692 0 50 HHAA COc1ccc(OC)c(C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)c1 12576088 JIVQHJQNKDBERD-UHFFFAOYSA-N 414.521 3.870 0 50 HHAA O=C(NCCc1c[nH]cn1)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 15066460 PJYHOCACRSGDRH-UHFFFAOYSA-N 416.953 3.821 0 50 HHAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3c(C)cccc3C)n2)cc1NC(C)=O 16651542 CTNBSJJNRLMNNI-UHFFFAOYSA-N 418.497 3.687 0 50 HHAA O=C1C[C@H](C(=O)Nc2ccc(Br)cc2)SC(Nc2ccccc2)=N1 16955734 HZZXBKZULHHEDR-CQSZACIVSA-N 404.289 3.888 0 50 HHAA COC(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1 18172611 WPSXRPCDXGEVNE-ZXPDZVFASA-N 414.893 3.652 0 50 HHAA COc1cc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc(OC)c1 19781672 FTFYMPYCBLYAME-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA Cc1cc(C)n(-c2ccc(NCCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)n1 19924258 BKZWYBDIAZETLA-UHFFFAOYSA-N 412.497 3.788 0 50 HHAA COc1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1 22215508 ASCJGGUKPHSQIS-NVNXTCNLSA-N 404.278 3.681 0 50 HHAA Cc1ccccc1-c1ccc(CN2CCN(C3CCN(C)CC3)[C@@H](CCO)C2)cc1 23358770 LYMRGEPJOZHWFK-VWLOTQADSA-N 407.602 3.625 0 50 HHAA C[C@H]1CN(CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 39399477 AHEOTJSPZQIZCU-UGKGYDQZSA-N 406.526 3.781 0 50 HHAA O=C(c1ccccc1OC1CCN(Cc2cccc3nonc23)CC1)N1CCCCC1 55342516 JCOOSFTXHBZNHF-UHFFFAOYSA-N 420.513 3.892 0 50 HHAA Cc1nccn1-c1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)ncn1 67621139 LKBJMVGDGMVPOL-UHFFFAOYSA-N 424.508 3.600 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2cccc3cnccc23)C[C@H]1CCO 104330658 UMNKVMHXBWOOKA-HSZRJFAPSA-N 405.542 3.702 0 50 HHAA CC(C)Cn1c(SCC(=O)[C@H](C#N)C(=O)NCc2ccccc2)nc2ccccc21 136200153 VYVKFUMSARELME-SFHVURJKSA-N 420.538 3.810 0 50 HHAA Cc1cc(C)n(-c2ccc([C@@H](C)NS(=O)(=O)C3=Cc4ccccc4OC3)cc2)n1 170608419 AXIBQSWPGIMWHT-QGZVFWFLSA-N 409.511 3.903 0 50 HHAA COc1cc(OC)cc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(Cl)c(F)c3)C2)c1 170619431 IBZBQWJYBXRKNH-SFHVURJKSA-N 412.870 3.607 0 50 HHAA NC(=O)[C@H](Sc1nccn1Cc1ccccn1)c1ccc(Br)cc1F 170638496 UBDOORHXCZWELU-OAHLLOKOSA-N 421.295 3.547 0 50 HHAA O=C(COc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(F)cc1 239165270 NUKMQEGPLUMHGV-IKRAPHRESA-N 417.436 3.645 0 50 HHAA CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C(=O)NC[C@@H]3CCCO3)C(C)C)o2)cc1 253419931 NYYSLAKYSVKKSV-GHTZIAJQSA-N 413.470 3.626 0 50 HHAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(O)C(=O)COC(C)=O)[C@@]2(C)CC1 257356464 IFPCMALVGSJXQO-FIJLXMTKSA-N 402.531 3.953 0 50 HHAA C[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC2(CCOCC2)O1 468493673 YBDUODCJVHWMOM-OAHLLOKOSA-N 404.894 3.724 0 50 HHAA Nc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc(Cl)n1 726769763 INSBJKLJTZGXHL-QGZVFWFLSA-N 407.861 3.613 0 50 HHAA O=C1CCCCN1CCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 827946020 OSANFZKZOSGPGG-UHFFFAOYSA-N 419.569 3.713 0 50 HHAA Cc1cccc(OC2CN(Cc3cc4ccc(C)cc4nc3N3CCOCC3)C2)c1 952986708 FFOJBGHLZDYIOO-UHFFFAOYSA-N 403.526 3.951 0 50 HHAA O=C(COc1ccc(CN2CCC([C@H](O)c3cccs3)CC2)cc1)N1CCCC1 952987880 KEQQNILRODCCRZ-QHCPKHFHSA-N 414.571 3.695 0 50 HHAA CO[C@H](C)c1nnc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)s1 1529191736 DVLWNAGMLSWRMG-SNVBAGLBSA-N 407.883 3.910 0 50 HHAA CCn1nc(C)cc1C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704302899 DZVCVPVADTYSRT-XMMPIXPASA-N 401.514 3.789 0 50 HHAA C[C@H](N=c1[nH]cnc2cc(Br)sc12)c1cccc(N2CCNC2=O)c1 1875321487 KGNSLYLKCIHECZ-JTQLQIEISA-N 418.320 3.578 0 50 HHAA CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2cc(Br)ccc21 1124078 OSQREOHGQCXKCZ-FQEVSTJZSA-N 402.288 3.893 0 50 HHAA O=C(CCc1nnc(CCc2ccccc2)o1)N1CCC[C@H](OCc2ccccc2)C1 11661620 RPFHVJIDGLXYTE-QFIPXVFZSA-N 419.525 3.995 0 50 HHAA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 11697630 VVLRWAWGMJLZQW-UHFFFAOYSA-N 416.529 3.875 0 50 HHAA CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)NCC(C)C)c21 11787947 OCAYQOVGBZHGLI-UHFFFAOYSA-N 414.531 3.551 0 50 HHAA COc1ccccc1OCC(=O)N1CCC2(CC1)C[C@@H]2C(=O)Nc1cc(C)cc(C)c1 14995312 GUGYXNDRCWIHEO-HXUWFJFHSA-N 422.525 3.958 0 50 HHAA O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)Cc1ccccc1Cl 16579493 LCVQKFHGHKVWEW-UHFFFAOYSA-N 415.902 3.607 0 50 HHAA CC(C)CCn1c(CN(C)CCOc2ccccc2)cnc1S(=O)(=O)C(C)C 19641845 CRTAJYWGAZRSDS-UHFFFAOYSA-N 407.580 3.622 0 50 HHAA C[C@H]1Cc2ccccc2N1C(=O)c1ccn(CCC(=O)N2c3ccccc3C[C@H]2C)n1 20617374 SCXPCGIYNCFLCJ-MSOLQXFVSA-N 414.509 3.842 0 50 HHAA COc1ccccc1-n1c(/C=C2/C(=O)N(C)c3ccccc32)nc2ccccc2c1=O 32618020 RCAHLOSHDYEYON-OBGWFSINSA-N 409.445 3.911 0 50 HHAA O=C1C[C@H](c2ccc(Oc3ccccc3)nc2)c2ccc(N3CCNC3=O)cc2N1 65529422 LQVMKEAXXRWORE-LJQANCHMSA-N 400.438 3.878 0 50 HHAA O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)cc2)c1 71772077 HQCSLVYEWMDWIZ-UHFFFAOYSA-N 406.346 3.813 0 50 HHAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N3CCC[C@@H]3C)nc2c1=O 72462807 SMLFLPPVDBIYSC-INIZCTEOSA-N 408.477 3.893 0 50 HHAA Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 170599063 OLFLHAQFCYBGLI-LEWJYISDSA-N 407.493 3.833 0 50 HHAA Cn1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc2ccccc21 170640555 ZUUFULXAFDZTSR-QGZVFWFLSA-N 413.424 3.705 0 50 HHAA COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Cc1ccc(F)cn1)CC2 253417741 IGOALIHNPYFMAZ-XMMPIXPASA-N 406.457 3.955 0 50 HHAA CCN(CC)CCO[C@@H]1CCN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1 437774389 NOZUGSLQJKYEEA-HXUWFJFHSA-N 413.566 3.762 0 50 HHAA Cn1ccc(N2CCC[C@H](NC(=O)C3(c4cccc(Cl)c4)CCCCC3)C2=O)n1 460424348 JFJBJELHBNZNSD-SFHVURJKSA-N 414.937 3.587 0 50 HHAA COc1ccccc1CN(CCc1ccc(F)cc1)S(=O)(=O)N1CCC(C)CC1 824819779 XXARRZJZUWGVEO-UHFFFAOYSA-N 420.550 3.856 0 50 HHAA COc1cc(Cl)cc(CN2CCC[C@@H](CN3CCN(C)CC3)C2)c1OC(C)C 952969460 BGVCKLMOPQSEMD-SFHVURJKSA-N 410.002 3.595 0 50 HHAA COc1ccc(C(=O)NC[C@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)cc1 952970474 RVKALBZOAOCYIE-MRXNPFEDSA-N 400.906 3.560 0 50 HHAA Cn1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1-c1ccccc1 1565506030 ZDKDTUAYNJOLRC-IRLDBZIGSA-N 400.526 3.824 0 50 HHAA CCCO[C@@H]1CC[C@H](C(=O)NCCCc2ccc(C)cc2)C[C@H]1NC(=O)C1CC1 1857682976 NNDCYOWBUWKCRK-BHDDXSALSA-N 400.563 3.534 0 50 HHAA Cc1ccc(O[C@H](C)CNC(=O)[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 1875315002 DPHARCADYOQGSN-STSQHVNTSA-N 402.535 3.916 0 50 HHAA COC(=O)c1cc(C(=O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)cs1 1875328226 GWNBRKRDAKTYQK-UHFFFAOYSA-N 422.384 3.660 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)C1 1875371716 JZRDFUJLWWVJKI-BBRMVZONSA-N 423.376 3.869 0 50 HHAA CCN(CC)C(=O)[C@@H]1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 2356158193 FBSCHROSZUTMOD-CQSZACIVSA-N 405.882 3.778 0 50 HHAA Cc1cc(CN2C(=O)c3ccccc3C2=O)c(C)cc1CN1C(=O)c2ccccc2C1=O 638568 QSLQYJRXHPGSNK-UHFFFAOYSA-N 424.456 3.896 0 50 HHAA CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC(Cl)(Cl)Cl 861090 OVDPOJBPBAEGIE-CYBMUJFWSA-N 407.681 3.627 0 50 HHAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc2)n1 917618 PYSLSHYZMGMNRC-OAHLLOKOSA-N 410.499 3.718 0 50 HHAA C[C@H](NC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1)c1ccccc1 1109223 GHPLLBKZMZPUOI-KSFYIVLOSA-N 402.450 3.956 0 50 HHAA C[C@@H](NC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccccc1 1109226 GHPLLBKZMZPUOI-ZHRRBRCNSA-N 402.450 3.956 0 50 HHAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 1123478 CRSNGISIZKNKJA-LLVKDONJSA-N 417.314 3.650 0 50 HHAA Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)o2)c1 4509809 OMCCKSOKLDBYEB-UHFFFAOYSA-N 410.499 3.612 0 50 HHAA Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@H]2C)c(C)o1 5058488 NMLKCZZNLXQRTH-CRAIPNDOSA-N 404.532 3.568 0 50 HHAA COc1ccc(CC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OC 5137509 XMCUASAOJDGFRL-UHFFFAOYSA-N 400.475 3.868 0 50 HHAA Cc1c(CC(=O)N(C)CC2CCOCC2)c2c(n1Cc1ccccc1)CCCC2=O 11815480 NTCOTURFMJAPHU-UHFFFAOYSA-N 408.542 3.791 0 50 HHAA CC(C)CC(=O)C(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 11844341 FTAJCJGSNVPNAZ-NRFANRHFSA-N 418.553 3.661 0 50 HHAA COc1cc(C)c(CN2CCOc3ccc(CN4CCC(O)CC4)cc3C2)cc1C 11997777 PWDSCTHQMUHMKK-UHFFFAOYSA-N 410.558 3.663 0 50 HHAA CC(C)NC(=O)C1CCN(C2CCN(Cc3ccc4cccc(F)c4n3)CC2)CC1 12193744 OSGHOTDWVXPMBG-UHFFFAOYSA-N 412.553 3.575 0 50 HHAA CCCn1ncc(C(=O)N2CC[C@]3(CCCN(Cc4cccc(OC)c4)C3)C2)c1C 12430319 KSLOZTCNBJBQOT-DEOSSOPVSA-N 410.562 3.738 0 50 HHAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(OC)cc2)CC1 12585317 QRQHFTHLYMULII-DOHLAZSCSA-N 413.606 3.801 0 50 HHAA O=C(Nc1ccc2c(c1)CN(C(=O)[C@H]1CCOC1)CC2)c1ccc(C(F)(F)F)cc1 12708227 LGNXGVRTRIMQFV-INIZCTEOSA-N 418.415 3.879 0 50 HHAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCc1ccccc1Cl)CC2 14732115 YFTMZPSBMGASGE-LJQANCHMSA-N 422.960 3.934 0 50 HHAA Fc1ccc(-n2cc(CNC[C@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 14964056 CHWFGWHKMLVJFV-SFHVURJKSA-N 401.869 3.837 0 50 HHAA CCOc1ccc(S(=O)(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 17088364 WWSKKJPOZKQIRE-UHFFFAOYSA-N 409.870 3.923 0 50 HHAA COc1ccccc1/C=C/[C@@H]1C[C@H]2CN(Cc3ccccc3OC)C(=O)[C@]23CCCN13 20453982 PGKFGTYDHVWOMJ-ZUZQNEOCSA-N 418.537 3.983 0 50 HHAA CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc2ccccc2c1 20608248 FDZSUEKDONEDHB-UHFFFAOYSA-N 408.321 3.639 0 50 HHAA CC(C)S(=O)(=O)c1ncc(CN2C[C@H]3CCC[C@@H]2C3)n1Cc1ccccc1F 59299873 OMMRRYPGMVNWMH-FUHWJXTLSA-N 405.539 3.627 0 50 HHAA COc1cccc(-c2ccccc2NC(=O)C2CCN(C(=O)c3cc[nH]n3)CC2)c1 95523758 JZBVYSLBUHHMIJ-UHFFFAOYSA-N 404.470 3.576 0 50 HHAA CCCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CC)c2=O)cc1 100668597 ZMBKYQQBOOEPEQ-UHFFFAOYSA-N 408.454 3.936 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4c[nH]c5ccccc45)C3)[nH]n2)cc1 169753654 FGDDWQXWZNUGJH-KRWDZBQOSA-N 415.497 3.965 0 50 HHAA O=C(NCc1cccnc1-n1ccnc1)Nc1cccc(COCc2ccco2)c1 195563132 GWKKCIKDMOMJQW-UHFFFAOYSA-N 403.442 3.899 0 50 HHAA O=C(OCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(F)c(Cl)c4)C(=O)[C@H]13)O2 239203127 RUESWPWEMQHVKE-IWQHBPENSA-N 413.832 3.509 0 50 HHAA COc1ccc(CCCC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(Cl)cc3)C2)cc1 427769751 WVASEGJFCHVGIC-VQTJNVASSA-N 401.890 3.998 0 50 HHAA Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)CC2)cc1 952968617 COULEXWWPGVQJA-UHFFFAOYSA-N 407.514 3.624 0 50 HHAA CCc1nc([C@H]2CCCN(C(=O)c3cccnc3O)CC2)n(-c2ccc(C)cc2)n1 1772809594 YMPLGHNWFQOWIC-KRWDZBQOSA-N 405.502 3.649 0 50 HHAA C[C@]1(O)CCOC2(CCN(C(=O)c3ccccc3OCCc3ccccc3)CC2)C1 2356153825 WUFLMESMBGPMJC-DEOSSOPVSA-N 409.526 3.844 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1 817201 GVKPDIRMIPMTBY-OAHLLOKOSA-N 418.515 3.519 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2Br)cc1 845628 NEQKDMLPQLYNAX-QGZVFWFLSA-N 416.275 3.724 0 50 HHAA Cc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccccc2)N3)cnn1C 884625 GLOZPZJWWGAWLC-NVXWUHKLSA-N 418.423 3.515 0 50 HHAA CCc1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 1128097 DWJFOMAOCXTFAG-UHFFFAOYSA-N 401.315 3.961 0 50 HHAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCN1C(=O)c2ccccc2C1=O 1142784 PKZIYPLRSBVVIH-UHFFFAOYSA-N 414.776 3.853 0 50 HHAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC[C@@H]4CCCO4)cc3n2)cc1 5617927 RNUDYRXAVTZIKC-AWEZNQCLSA-N 404.392 3.632 0 50 HHAA CSc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)[C@@H]2Cc4ccccc4O2)CC3)cc1 12054740 IMQMOJQGWUYOAN-FPOVZHCZSA-N 422.550 3.979 0 50 HHAA CN(C)[C@@H]1CCN(Cc2cccnc2)C[C@@H]1CCC(=O)NC1CCCCCCC1 12244911 BNWVLQGBZNVMDF-JTHBVZDNSA-N 400.611 3.843 0 50 HHAA Cn1cnnc1Sc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)o1 12299334 IYKQQVYKRGEGBZ-OAQYLSRUSA-N 416.522 3.516 0 50 HHAA CN(Cc1ccccc1)C(=O)CCC1CCN(S(=O)(=O)c2cccs2)CC1 15065642 PEHXAJWSUQIZFL-UHFFFAOYSA-N 406.573 3.588 0 50 HHAA O=C(c1scc2c1CCCC2)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 15065655 NAIUWOKSESNXOY-AWEZNQCLSA-N 424.613 3.519 0 50 HHAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NC1CCCCC1 72137379 YEEHFHPGIIUKTO-QHCPKHFHSA-N 421.541 3.618 0 50 HHAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c2ccccc12 225540135 KBXBDOIVTUSCCU-UHFFFAOYSA-N 410.539 3.976 0 50 HHAA COc1cc(OC)cc([C@@H]2[C@H](Oc3cc(C)ccc3C)C(=O)N2C[C@H]2CCCO2)c1 245225361 TUVWPQYMXJWPQD-YSZBQJHXSA-N 411.498 3.831 0 50 HHAA COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 245237863 ZZSQMFHFTVIADH-PXNSSMCTSA-N 410.514 3.871 0 50 HHAA C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(N2CCC2=O)cc1 328589316 HPCNFQFMDKJEET-NSHDSACASA-N 407.239 3.731 0 50 HHAA CCO[C@@H]1C[C@H](NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)C12CCOCC2 471554243 GHCNBDOBAYUZGI-ZWKOTPCHSA-N 410.436 3.901 0 50 HHAA O=C([C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CC=C(c2cccc3ccccc23)CC1 1464547759 PGWXKUBENTYIJD-OALUTQOASA-N 423.456 3.679 0 50 HHAA O=C(c1ccc(N2C[C@H]3CCC[C@](O)(c4ccccc4)[C@H]3C2)nc1)N1CCCCC1 1704341360 ZUTASNRWZNNOID-KJWPAHLWSA-N 405.542 3.832 0 50 HHAA Cc1nc2cc(C(=O)N3CCC[C@H]([C@H]4CCNC4)C3)ccc2n1Cc1ccsc1 1875348939 HSQPJBGSOPBOPP-PMACEKPBSA-N 408.571 3.916 0 50 HHAA O=C(Nc1ncccc1CN1CCc2ccccc2CC1)c1ccc(-n2ccnc2)cn1 2325742070 AUHNOZJIAODQGN-UHFFFAOYSA-N 424.508 3.515 0 50 HHAA COc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C(C)=O)cc1OC 812282 LUYNOKCHIHIOFK-UHFFFAOYSA-N 403.822 3.650 0 50 HHAA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(-c3nnc(-c4ccccc4)o3)cc1)C2=O 832901 DVFULDBFNLAQRF-UHFFFAOYSA-N 411.373 3.902 0 50 HHAA COc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1OCc1ccccc1Cl 1109062 GRVLGRZBPLWLHF-UHFFFAOYSA-N 418.946 3.800 0 50 HHAA CCOc1cc(C2C(C(=O)OC(C)C)=C(C)NC(C)=C2C(=O)OC(C)C)ccc1O 1192077 NZSVXEJUHOFENL-UHFFFAOYSA-N 417.502 3.929 0 50 HHAA C[C@H]1C[C@H](NC(=O)c2occc2COc2ccccc2)c2ccsc2S1(=O)=O 461606724 GNLIQRLVYBDCTH-GUYCJALGSA-N 417.508 3.957 0 50 HHAA COc1ccc(CNC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 1002030 PULZUYXQDJMJDT-UHFFFAOYSA-N 400.276 3.633 0 50 HHAA O=C(c1cccc(COc2ccc(Br)cc2)c1)N1CCN2CCC[C@H]2C1 6057737 IFIFQGABMMIPOV-IBGZPJMESA-N 415.331 3.948 0 50 HHAA O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@@H](C(=O)O)c1ccccc1 486297030 YDWXDZGTESMQHQ-YADHBBJMSA-N 416.477 3.532 0 50 HHAA CC[C@H](C(=O)NC[C@@H](C)Cn1cc(Cl)cn1)n1nc(C(F)(F)F)c2c1CCC2 20607695 XYQCLPFYJUPKFX-BXUZGUMPSA-N 417.863 3.644 0 50 HHAA O=C(NCc1cn2c(n1)SCC2)c1cc(-c2ccccc2)nn1-c1ccccc1 426635668 XWULXZJOYGAFSJ-UHFFFAOYSA-N 401.495 3.772 0 50 HHAA Cc1ccc(Cl)cc1C(=O)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 91441537 PAKXONNTCLRBBI-SFHVURJKSA-N 404.938 3.672 0 50 HHAA O=C1N(CN2CCc3ccccc3C2)c2ccccc2C12O[C@@H]1CCCCC[C@H]1O2 252430647 BVZPIBXMSLWZEV-DHIUTWEWSA-N 404.510 3.950 0 50 HHAA CC[C@@H]1CN(CC(=O)NCc2cnc3ccccc3c2)Cc2cc(OC)ccc2O1 299774841 IRSXQZOPFJNIST-HXUWFJFHSA-N 405.498 3.533 0 50 HHAA COc1ccc(CNCc2ccc(Cl)cc2)cc1OC[C@@H](O)CN(C)C(C)C 11765924 RKJXYMHPWXPUOK-FQEVSTJZSA-N 406.954 3.718 0 50 HHAA O=C(NCCCn1ncc2ccccc21)c1cc(COc2c(F)cccc2F)on1 11874390 KTRJNUFKTZZECJ-UHFFFAOYSA-N 412.396 3.702 0 50 HHAA Cc1nnc(SCC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 12387402 LGVLBKFXYSSYJK-MRXNPFEDSA-N 415.494 3.625 0 50 HHAA CC[C@@H](COC)NC(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 12592134 QRAKJXUPNTYMHY-KRWDZBQOSA-N 404.551 3.636 0 50 HHAA O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@](CO)(CCOc2ccccc2)C1 12712382 LKPQVCCBRNCYMI-XMMPIXPASA-N 405.498 3.556 0 50 HHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)c1c[nH]c2ncc(Br)cc12 435981559 GUNKRXCBJPCSQJ-HNNXBMFYSA-N 402.296 3.909 0 50 HHAA O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1nnc(O)c2ccccc12 473622301 VLSMGUKVUVOLDF-SWLSCSKDSA-N 402.223 3.523 0 50 HHAA C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NC[C@@H](CO)Cc1ccccc1F 1875261053 SQNFVYGJGJTSGL-HOCLYGCPSA-N 412.427 3.926 0 50 HHAA C[C@H](CNC(=O)c1ccc(N2CCOCC3(CCC3)C2)nc1)c1nc2ccccc2o1 1875361390 YUTZBDXTSODUQO-QGZVFWFLSA-N 420.513 3.763 0 50 HHAA CCN(Cc1nccs1)c1ncnc2cc(I)sc12 1875342125 YVLOOEUYFHZXSU-UHFFFAOYSA-N 402.286 3.779 0 50 HHAA COc1cc2ccccc2cc1-c1nnc(CNc2cccc(C(N)=O)c2OC)o1 1875362135 SFWIUNMQRYIUEU-UHFFFAOYSA-N 404.426 3.618 0 50 HHAA COC(=O)C1=CN(C2CCCC2)C=C(C(=O)OC)C1c1cc(Cl)c(O)c(OC)c1 815772 IIGYXLMLOLZJKE-UHFFFAOYSA-N 421.877 3.510 0 50 HHAA COC(=O)c1cc(NC[C@@H]2COCCC2(F)F)c2cc(Br)ccc2n1 2325824873 UIAPRRTWBKMLMI-SNVBAGLBSA-N 415.234 3.868 0 50 HHAA C=CCOC(=O)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 139403410 XLZBRNYLRGKRKC-NRFANRHFSA-N 423.465 3.878 0 50 HHAA COc1ccc([C@]2(O)C[N+]3=C(SCCC3)N2c2ccc(Br)cc2)cc1 624124 YNBGUGODZUPOHM-LJQANCHMSA-N 420.352 3.628 0 50 HHAA CCc1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)OCO4)c(Cl)cc12 793123 QDCYCZLFYYOUES-UHFFFAOYSA-N 401.802 3.755 0 50 HHAA CCOc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 2935583 RNPOZUWYZSGGDO-UHFFFAOYSA-N 424.950 3.706 0 50 HHAA COc1ccc(Br)cc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2998756 DWFJBJZHLWPVHK-UHFFFAOYSA-N 409.305 3.749 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 2356168188 SMJHKCZSRBINKS-UHFFFAOYSA-N 403.482 3.585 0 50 HHAA O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)s1 3883961 ARONUGGUBQPRMS-UHFFFAOYSA-N 409.151 3.974 0 50 HHAA COc1ccc(CCC(=O)NCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 8600597 CURODQXMAXCXQY-UHFFFAOYSA-N 418.472 3.876 0 50 HHAA CCOc1ccc2nc(NC(=O)[C@@H](CC)Sc3nc(C)cc(=O)[nH]3)sc2c1 8667239 CPASFZROGANPRS-CYBMUJFWSA-N 404.517 3.596 0 50 HHAA Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)c1cc(-c2cnn(C)c2C)on1 55108542 AFNBZEQDPPGQHN-UHFFFAOYSA-N 410.865 3.842 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(SC)cc3)C[C@@H]2CCO)c(F)c1 20452080 CCINMOOHFPNXIW-IBGZPJMESA-N 404.551 3.625 0 50 HHAA Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@H](c1ccc(F)cc1)CC(=O)N2 65363412 ALTLVEQVXRBFKB-KRWDZBQOSA-N 406.465 3.574 0 50 HHAA C[C@@H]1CCC[C@H](OCC(=O)NCCCCN(C)C(=O)CO[C@H]2CCC[C@@H](C)C2)C1 252511730 KCTYKTUAQBKKBX-CGXNFDGLSA-N 410.599 3.532 0 50 HHAA CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 239433010 XBZSCIBRZGZFEJ-LQPBRMSDSA-N 406.548 3.810 0 50 HHAA O=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCc2ccccc2C1 91326829 RTMJBDISTXLPRZ-UHFFFAOYSA-N 414.292 3.866 0 50 HHAA O=C(N[C@@H]1CCc2ccccc21)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263619684 ZZMSFCBNQJHBQE-GHTZIAJQSA-N 415.541 3.628 0 50 HHAA O=C(N[C@H](C(=O)O)[C@@H](O)Cc1ccccc1)OCC1c2ccccc2-c2ccccc21 722975926 AVWRDMWEWHYRJC-GOTSBHOMSA-N 417.461 3.582 0 50 HHAA CCCCN1C(=O)c2ccc(-c3nc(Cc4ccc5c[nH]nc5c4)no3)cc2C1=O 771480153 YKKFYKZTXHOBRF-UHFFFAOYSA-N 401.426 3.600 0 50 HHAA Cc1ccc(N2CCC(N3CCC([C@@H](O)c4nccn4C)CC3)CC2)cc1Cl 1506399923 RGTTVAFLVNRVCM-OAQYLSRUSA-N 402.970 3.796 0 50 HHAA O=C(c1ccccc1N1CCOCC1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506429686 WAUVDHNQGSPCED-UHFFFAOYSA-N 408.477 3.558 0 50 HHAA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 5101177 MOTMVXLFBMXYGN-KGLIPLIRSA-N 403.431 3.946 0 50 HHAA Cc1cccc(CNCc2cc(NS(C)(=O)=O)cc(C(=O)Nc3ccccc3)c2)c1 11785289 NEBSGBUXNQQNOE-UHFFFAOYSA-N 423.538 3.909 0 50 HHAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@H]2CCCCN2C)C3)c1 11995945 LWHZBPGVISUMPF-WMZHIEFXSA-N 424.516 3.908 0 50 HHAA COc1cc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccc2)cc(OC)c1 12004144 VANOVDHETJXVEQ-HSZRJFAPSA-N 408.542 3.665 0 50 HHAA CN(Cc1ccco1)C(=O)c1ccccc1OC1CCN(Cc2ccccn2)CC1 12206922 GXRAHDNBCVVGJI-UHFFFAOYSA-N 405.498 3.990 0 50 HHAA O=C(NCc1ccc(F)c(F)c1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12387212 HHEOQYHRYIPKAM-UHFFFAOYSA-N 414.452 3.675 0 50 HHAA Cc1nc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)c[nH]1 12446766 PPYKAPTUZOOTHW-VWLOTQADSA-N 408.590 3.579 0 50 HHAA CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 13577218 KRTGBODFLXLTNK-UHFFFAOYSA-N 406.939 3.797 0 50 HHAA O=C(Cc1ccc(F)c(F)c1)NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 14882630 NRLZGSOELMQNFU-INIZCTEOSA-N 415.827 3.738 0 50 HHAA O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl 19300972 NEJWFZUNQQAQEG-GFCCVEGCSA-N 406.524 3.752 0 50 HHAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cc(F)cc(F)c3)C1)CC2 1857701679 TXRLAZXARVJISP-JOCHJYFZSA-N 401.457 3.878 0 50 HHAA Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)OCCOc1cccc2ccccc12 920890588 NYTUFBZJSXJERM-RCCKNPSSSA-N 418.428 3.894 0 50 HHAA C[C@H](NC(=O)Nc1cccc(-c2ccc(O)nn2)c1)c1cccc(N2CCOC2=O)c1 2325724607 RKRCVINKWJLANP-AWEZNQCLSA-N 419.441 3.689 0 50 HHAA COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 741748 UMLUUTMYAMZQIN-JOCHJYFZSA-N 424.522 3.532 0 50 HHAA CN(c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)S(=O)(=O)c1ccccc1 1122149 KXJRSEREZFYDJT-UHFFFAOYSA-N 424.478 3.535 0 50 HHAA COc1ccc(C)cc1NC(=O)c1cn(C)nc1C(=O)Nc1cc(C)ccc1OC 20617126 SGBOMDQGQAHXDC-UHFFFAOYSA-N 408.458 3.559 0 50 HHAA O=C(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 58135953 MRWCTSDYTYUYNU-HSZRJFAPSA-N 404.489 3.514 0 50 HHAA COCCC(=O)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 9709627 PKADXLVEYSNLBA-UHFFFAOYSA-N 401.260 3.933 0 50 HHAA COc1cccc(C(=O)Nc2ncn(Cc3ccc(Cl)c(Cl)c3)n2)c1OC 2799239 ULZMIAGZRFFFIP-UHFFFAOYSA-N 407.257 3.903 0 50 HHAA CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 7058772 LNBVQFCGJBGSPS-UHFFFAOYSA-N 400.544 3.698 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)NCC[C@H]3CCCCO3)csc2C1 426547593 ICDWMGBOMDJJQA-MRXNPFEDSA-N 403.548 3.600 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C(N)=O)C1 239173991 PBOVIXZMMDUONI-FRRDWIJNSA-N 406.548 3.828 0 50 HHAA C[C@H](NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1)c1ccccc1 239128751 KSSYLYDKBUDIEJ-SCMHALIYSA-N 412.489 3.735 0 50 HHAA CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)CC1 886024154 IZDINJZJGVNKAW-VABKMULXSA-N 407.558 3.888 0 50 HHAA C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c(F)cccc1Cl 170631606 KCGQJVCIOMTBPJ-FZMZJTMJSA-N 400.878 3.969 0 50 HHAA CCOP(=O)(CN(C)C(=O)c1ccc(I)cc1)OCC 5046838 JSDBIIJJLDXNEC-UHFFFAOYSA-N 411.176 3.587 0 50 HHAA COC[C@@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)C1 11783057 FDTLDHWSBDHXFM-CJFMBICVSA-N 408.542 3.696 0 50 HHAA C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(CN(C)Cc2ccoc2)c1 12149193 MMUKZBSDIMKJEH-KRWDZBQOSA-N 422.481 3.838 0 50 HHAA CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2)C(C)C 12244632 NZSSLEPOFBQRNP-QHCPKHFHSA-N 421.545 3.820 0 50 HHAA CN(Cc1cccc(-n2cccn2)c1)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 12300142 RHPRYEHQKPBRFP-UHFFFAOYSA-N 415.497 3.676 0 50 HHAA COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1 12419783 SYKKDBAPBWHBOJ-YVLHZVERSA-N 416.430 3.518 0 50 HHAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2)CC1 12592779 NKHNFAFWXYKQHZ-QHCPKHFHSA-N 422.525 3.510 0 50 HHAA Cc1ccc(F)cc1CN[C@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 14742623 UONFGFVQEGDEDG-NRFANRHFSA-N 420.532 3.728 0 50 HHAA Cc1nc(CCNC(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)sc1C 14953290 HMAXTTVXRLJIDV-UHFFFAOYSA-N 423.542 3.701 0 50 HHAA COc1ccc(OC)c(NC(=O)[C@H](CC(=O)O)Cc2ccc(Br)cc2)c1 16115885 CKXTYOOQMQXOLQ-ZDUSSCGKSA-N 422.275 3.738 0 50 HHAA O=C(N[C@@H]1CCCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)C1)c1ccc2c(c1)OCO2 169753377 RHSVTAUEKYBOIY-QGZVFWFLSA-N 424.888 3.858 0 50 HHAA Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(Oc4cccnc4)c(F)c3)C2)n1 141255219 IPNJKJGLXJFIBG-MRXNPFEDSA-N 411.437 3.794 0 50 HHAA CC[C@@](O)(CNC(=O)N[C@@H]1CCc2c(O)cccc21)c1ccc(Br)cc1 1875261839 KRHYDDANGIBFEZ-YLJYHZDGSA-N 419.319 3.739 0 50 HHAA COc1ccc(Br)c2c1[C@@H](NC(=O)c1ccc(CCC(=O)O)cc1)CC2 2325827743 PBFJMARVAGLIPI-INIZCTEOSA-N 418.287 3.892 0 50 HHAA COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc(C)c(C(C)=O)c3c2)cc1 645635 FFWCZBFYNBYMIF-UHFFFAOYSA-N 401.440 3.694 0 50 HHAA CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 810042 YFCVQXFXTZRXDT-UHFFFAOYSA-N 408.907 3.742 0 50 HHAA O=C(NC(=S)Nc1ccc(I)cc1F)c1cccs1 2884794 DMTMBVNWWHLKOP-UHFFFAOYSA-N 406.245 3.619 0 50 HHAA COc1ccc(C(=O)c2ccccc2)c(OCC(=O)NCCOc2ccccc2)c1 2999966 VSHBAPRAHUDWHY-UHFFFAOYSA-N 405.450 3.500 0 50 HHAA O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O)c1cccs1 3105206 PIVOACBXPARHKS-UHFFFAOYSA-N 424.865 3.938 0 50 HHAA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2OC(C)C)NC(=O)N1 4492511 WIGMZRZDAJTERC-NRFANRHFSA-N 410.470 3.724 0 50 HHAA O=c1c2ccccc2[nH]c(=S)n1CCCN1CCN(c2cccc(Cl)c2)CC1 4599424 RWOQYEIGYXDWHP-UHFFFAOYSA-N 414.962 3.925 0 50 HHAA CCOC(=O)C[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1Cl 4653565 AGLBFUSRNMZFLW-INIZCTEOSA-N 421.877 3.790 0 50 HHAA COc1cc(Cl)ccc1OCc1cc(C(=O)NCCc2nc(C)c(C)s2)no1 11710214 LYDTWTVXZJRABU-UHFFFAOYSA-N 421.906 3.961 0 50 HHAA FC(F)(F)c1ccc(-c2noc(CN3CCC(N4CCSCC4)CC3)n2)cc1 11843196 SOTRCMLWIULBNZ-UHFFFAOYSA-N 412.481 3.769 0 50 HHAA COC(=O)[C@@H](NC(=O)c1csc2nc(-c3cccc(F)c3)cn12)c1ccccc1 12316396 XZAJHMSAOJLJHU-SFHVURJKSA-N 409.442 3.846 0 50 HHAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CC[C@@H](c2ccccc2F)C1 12455956 WTTNDMKLKKTCAG-CYBMUJFWSA-N 402.832 3.888 0 50 HHAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1cn(C/C=C/c2ccccc2)nn1 12715572 WLHMUVAWFNOUGE-VMPITWQZSA-N 416.460 3.589 0 50 HHAA COCCc1nc2ccc(C(=O)N3CCc4[nH]c5ccc(OC)cc5c4C3)cc2o1 12835346 VUYKGPPOHCTMCF-UHFFFAOYSA-N 405.454 3.705 0 50 HHAA CCOc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1CO 23360953 CCRXXXKIODCOHH-DEOSSOPVSA-N 423.601 3.673 0 50 HHAA O=C(c1ccoc1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55370884 SROPDRULSDXHKJ-LJQANCHMSA-N 407.436 3.725 0 50 HHAA CCOc1ccccc1-c1nnc(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)n1CC 101948331 CWPYVDQQUPMLSF-ZOBUZTSGSA-N 400.548 3.761 0 50 HHAA Cn1ccnc1-c1nnc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)o1 170607138 ZOFPHWRCYLKVKP-UHFFFAOYSA-N 411.469 3.994 0 50 HHAA Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(-c2ccc(Br)cc2)on1 227156508 BXIKPQIQIWNQTD-UHFFFAOYSA-N 403.280 3.727 0 50 HHAA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Br)c(Cl)c1Cl 239184770 QXSWRHUFVJWLPM-PNFJHLJCSA-N 405.075 3.892 0 50 HHAA O=C(CCc1nc(O)c2ccccc2n1)Nc1ccccc1OCCN1CCCCC1 263587045 BKTSJSJNPVLRTI-UHFFFAOYSA-N 420.513 3.771 0 50 HHAA O=C(c1ccc2nn[nH]c2c1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 426599508 GBDKTBXCBIXLRO-XMMPIXPASA-N 403.530 3.519 0 50 HHAA Cc1cnc(C2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)CC2)s1 433423894 WNCRSXQJCDMIGP-OAHLLOKOSA-N 405.955 3.668 0 50 HHAA O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cnn(-c2cccnc2)c1 476781962 UKQVHORHBTWQQX-MRXNPFEDSA-N 416.312 3.973 0 50 HHAA CN(C(=O)Cc1c[nH]c2cccc(Br)c12)[C@H](CC(N)=O)c1ccccc1 478233200 JUNUHWTZGXSIRY-QGZVFWFLSA-N 414.303 3.548 0 50 HHAA O=C(Cc1cc2c(cc1Cl)OCCO2)Nc1ccccc1OC[C@@H]1CCCO1 952967564 MFNVZYMAUUTSED-HNNXBMFYSA-N 403.862 3.850 0 50 HHAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2cnc(N)nc2-c2ccccc2)cc1 1506417076 NMRPYINPPYJPHZ-NRFANRHFSA-N 401.514 3.765 0 50 HHAA CN(Cc1ccccn1)C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C1 2356159690 MYFQYUBAXIRFCR-SJLPKXTDSA-N 407.967 3.704 0 50 HHAA CCOC(=O)c1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc(C)c1C 639823 HHAHVKRASNUOMG-CQSZACIVSA-N 404.513 3.983 0 50 HHAA CCCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2)c2cc(Br)ccc21 990107 WACOSHUZKPJECI-FQEVSTJZSA-N 418.287 3.675 0 50 HHAA CCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)ccc1Cl 1109804 LXOGRZGAGXWYIZ-UHFFFAOYSA-N 408.951 3.866 0 50 HHAA COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc(C(=O)N(C)C)c1C 1113276 BBNZBWNKYCDFEN-LLVKDONJSA-N 424.906 3.604 0 50 HHAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(OC3CCCC3)cc2)NC(=O)N1 1126926 WLYXUINJAOPEDU-JOCHJYFZSA-N 405.498 3.952 0 50 HHAA Cc1cccc(N2CCN(C(=O)c3ccccc3I)CC2)c1C 1182833 UTSMRURXVJJXGL-UHFFFAOYSA-N 420.294 3.870 0 50 HHAA COc1ccc(CCN(C)CCC(=O)Nc2ccc(Br)cc2)cc1OC 4725259 LDRMSOXBPHZHFR-UHFFFAOYSA-N 421.335 3.969 0 50 HHAA COc1cccc(CN2C[C@@H](C(=O)N(C)Cc3ccnc4ccccc34)CCC2=O)c1 11937056 ZGWRDPDCSAFWTO-FQEVSTJZSA-N 417.509 3.641 0 50 HHAA Cc1c(C(=O)NCCc2ccccc2F)sc2ncnc(NC[C@@H]3CCCO3)c12 11997996 MEURLXJUCWXYOL-HNNXBMFYSA-N 414.506 3.702 0 50 HHAA COc1ccc([C@H](C)N(C)Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)cc1 12199896 DGQYLUUWWRVYOB-AWEZNQCLSA-N 413.474 3.964 0 50 HHAA Cc1cccnc1CNc1ccc(C(=O)N2CCCN(C3CCCCC3)CC2)cn1 12305184 VAXXHYAMVYWMQR-UHFFFAOYSA-N 407.562 3.878 0 50 HHAA O=C(/C=C/c1ccc(F)cc1F)N1CCC(=O)N(Cc2cccc(Cl)c2)CC1 12331580 XZXFSLNPFWTFSH-FNORWQNLSA-N 404.844 3.893 0 50 HHAA O=C1C[C@@H](c2ccc(OCc3cccc(F)c3)cc2)c2c(n3ccsc3nc2=O)N1 12428765 DRFVLCWRKWDNFF-KRWDZBQOSA-N 421.453 3.948 0 50 HHAA CC(=O)Nc1cccc(C(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3)C2)c1 12431990 AQTPMDKUARGKSZ-VWLOTQADSA-N 405.542 3.816 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NC1Cc3ccccc3C1)C2 14536204 WMOUUJWGAZIGOI-HXUWFJFHSA-N 406.574 3.534 0 50 HHAA CCN(CCn1cccn1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 15068603 JTXRVQCNLCXMGM-UHFFFAOYSA-N 415.497 3.987 0 50 HHAA COc1ccc(OC)c(NC(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c1 15078286 BRGUUDSBTGIUNT-HXUWFJFHSA-N 424.545 3.522 0 50 HHAA Fc1ccc(N2CCN([C@H]3CCCN(Cc4ccc5nsnc5c4)C3)CC2)cc1 22912925 VNEUDZZNNUUXDR-FQEVSTJZSA-N 411.550 3.617 0 50 HHAA COc1cccc(CN[C@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)c1 32507837 SEANZPJXDCWSJO-UGKGYDQZSA-N 415.965 3.606 0 50 HHAA Cc1oc(C(C)C)cc1C(=O)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 91973888 WXUOOGHBJRJLEB-SFHVURJKSA-N 402.535 3.735 0 50 HHAA O=C(Nc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1 101282486 BIYLHHDLKROELJ-MFHOKPTLSA-N 400.906 3.868 0 50 HHAA CC[C@@H]1CN(C(=O)Nc2nc(-c3cccnc3)cs2)[C@H](CC)CN1CC(C)(C)O 170613509 DGVXAVIHODYYOB-IAGOWNOFSA-N 417.579 3.683 0 50 HHAA CCO[C@@H]1C[C@H](N(C)C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1(C)C 170636676 CNCPXSMWDWHNAH-RBUKOAKNSA-N 403.473 3.915 0 50 HHAA Cc1ccc(F)c(C(=O)NCCNC(=O)c2ccccc2Cl)c1Br 225622386 ITVWJCXPKDTZNS-UHFFFAOYSA-N 413.674 3.710 0 50 HHAA CSc1ccc2cc(CNCc3ccc4c(c3)OCO4)c(N3CCOCC3)nc2c1 299766289 MYBSPXXVNFIFNG-UHFFFAOYSA-N 423.538 3.812 0 50 HHAA O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cccc2c1OCCO2 486922642 FXXKLLWZPWGUSM-UHFFFAOYSA-N 423.387 3.792 0 50 HHAA CC[C@H](NC(=O)NCc1nn(C)c2ccccc12)[C@@H](O)c1ccc(C(F)(F)F)cc1 1875260094 FQJFTRARHBOCER-LPHOPBHVSA-N 420.435 3.904 0 50 HHAA Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 1875316232 CMNXARKWHWSAPK-GFCCVEGCSA-N 424.398 3.999 0 50 HHAA Cc1c(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2Cl)[nH]c2c(F)cccc12 2100534377 FTJRZURXYUVVGA-PXNSSMCTSA-N 402.853 3.843 0 50 HHAA COC(=O)c1cc(NC[C@H]2COCCC2(F)F)c2cc(Br)ccc2n1 2325824872 UIAPRRTWBKMLMI-JTQLQIEISA-N 415.234 3.868 0 50 HHAA C[C@H](NC(=O)CCNC(=O)c1cc2ccccc2[nH]1)c1cc(-c2ccccc2)on1 2325873870 XBXFQZXETCFFPS-HNNXBMFYSA-N 402.454 3.820 0 50 HHAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-c2cccc(O)c2F)c(F)c1 2325900377 WANGCBBWTFQMPT-HXUWFJFHSA-N 422.431 3.651 0 50 HHAA O=C([C@H]1CC[C@@H](O)CC1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356143639 QPHFPYFLQVMHDX-JJIRRVJSSA-N 414.565 3.621 0 50 HHAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N[C@H](C)[C@@H]4CCCO4)c3n2)cc1 815411 SPAGQJGMHUFECD-XIKOKIGWSA-N 416.428 3.640 0 50 HHAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc1OC 832336 OKSUDTCZTHXAIJ-FQEVSTJZSA-N 402.491 3.988 0 50 HHAA COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1108648 YHYQAVPETSMMER-UHFFFAOYSA-N 414.449 3.533 0 50 HHAA COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)cc1 1194322 SNEAWSNCXCMQKI-MRXNPFEDSA-N 414.346 3.894 0 50 HHAA COc1cc2c(cc1OC)[C@H](c1cc3c(cc1Br)OCO3)CC(=O)N2 1461155 RWKJYBCMWVNMEW-VIFPVBQESA-N 406.232 3.669 0 50 HHAA CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 6267996 IDGBOOQCMDAVCH-UHFFFAOYSA-N 403.685 3.726 0 50 HHAA Cc1[nH]c2nc(NCc3ccc(Br)cc3)nn2c(=O)c1Cc1ccccc1 8614298 VBKNJOZUFMIQSM-UHFFFAOYSA-N 424.302 3.691 0 50 HHAA CCC[C@]1(C2CCN(C(=O)c3ccc(C)cc3)CC2)NC(=O)N(Cc2ccco2)C1=O 12051907 CPXKOBLGYOQJPW-XMMPIXPASA-N 423.513 3.731 0 50 HHAA CC[C@H](C)CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 14534334 QYTGAYMFWTZEOK-FQEVSTJZSA-N 420.557 3.927 0 50 HHAA Cc1cnc(SC[C@@H]2CCCO2)nc1[C@H]1CCCN(C(=O)c2cncs2)C1 14959439 JICUVYMSBXIRBL-GJZGRUSLSA-N 404.561 3.532 0 50 HHAA Cc1ccc(-c2ccnc(-n3ncc(C(=O)N(C)CCc4ccccc4)c3C)n2)o1 14999679 NSOBILQVVWFILI-UHFFFAOYSA-N 401.470 3.854 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 17082486 UDLVDBPNXKKGGT-UONOGXRCSA-N 402.516 3.515 0 50 HHAA CC(C)c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C[C@@H]1CCCO1 17091191 CMBSPQXTOIXKKE-ZDUSSCGKSA-N 417.560 3.921 0 50 HHAA CCn1c(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)nc2ccccc21 19607588 QZJCZFHGECHCTA-JOCHJYFZSA-N 403.574 3.843 0 50 HHAA O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N1CCC[C@@H]1c1ccc(F)cc1 23478618 OXNSCDKZSRTWRT-GOSISDBHSA-N 423.444 3.825 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc4cccnc34)C[C@H]2CCO)c(C)c1C 104415315 FTVWJTNMODSIFY-XMMPIXPASA-N 419.569 3.929 0 50 HHAA O=C1[C@H]2[C@@H](c3ccc(Cl)cc3)N3CCCN3[C@H]2C(=O)N1c1cccc(Cl)c1 136731210 SMPPEWSSNYWIIA-RCCFBDPRSA-N 402.281 3.529 0 50 HHAA COc1cc(OC)c2nc(Cl)c(CCN3C(=O)c4ccccc4C3=O)cc2c1C=O 245392011 XEDIYWTXXMZHJA-UHFFFAOYSA-N 424.840 3.557 0 50 HHAA Cc1nn(C)c(C)c1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 253183447 KZDHKUMGCCRKOV-OAQYLSRUSA-N 405.454 3.701 0 50 HHAA Cc1cc(C)c(N2CC[C@H](N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)C2=O)c(C)c1 253429225 MKESYZTUMLPMOO-ZCNNSNEGSA-N 415.578 3.952 0 50 HHAA CC(=O)N1CCCc2cc(N[C@@H](C(N)=O)c3ccc(Br)cc3F)ccc21 439577769 WGGAVEWZVSMKNJ-GOSISDBHSA-N 420.282 3.526 0 50 HHAA CC1(C)C(=O)Nc2ccc(C(=O)OCc3cc(=O)oc4cc5c(cc34)CCC5)cc21 768701516 CLIZOHUANJZXFC-UHFFFAOYSA-N 403.434 3.868 0 50 HHAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 952872138 KTKIQJAMWNSDIA-HNNXBMFYSA-N 422.872 3.803 0 50 HHAA Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc3c(C(F)F)nn(C)c3s2)n1 1321180344 VJYRWJQTRVWXPW-LBPRGKRZSA-N 405.474 3.993 0 50 HHAA CCC[C@H](CO)N1CCN([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 1875254087 XTFIWXMSZUQSCA-TZIWHRDSSA-N 411.546 3.585 0 50 HHAA COc1cc(NS(C)(=O)=O)ccc1NC(=O)NCCc1cccc(C(C)(C)C)c1 2325729824 HUOPYJCZPILWKU-UHFFFAOYSA-N 419.547 3.728 0 50 HHAA COc1ccc2c(c1)c(CCN1C(=O)c3ccccc3C1=O)cn2C(=O)c1ccco1 915595 CFHHRLZLZZLKSU-UHFFFAOYSA-N 414.417 3.770 0 50 HHAA CC(=O)c1cc2c(cc1NC(=O)c1ccccc1I)OCCO2 1057458 JUMSPRHDDCNOOV-UHFFFAOYSA-N 423.206 3.517 0 50 HHAA Cc1c(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)[nH]c2c(F)cccc12 2356138097 DZWAORJIQDODOV-HSZRJFAPSA-N 407.493 3.592 0 50 HHAA Cc1ccc(-c2c(C(F)(F)F)nn3c(NCCN4CCOCC4)cc(C)nc23)cc1 21799406 DPSOCSFBBMCQGV-UHFFFAOYSA-N 419.451 3.776 0 50 HHAA Fc1ccc2cc(CNCc3cn4c(n3)SCC4)c(OCc3cccnc3)nc2c1 23542360 DYNXUFVCCXZRCT-UHFFFAOYSA-N 421.501 3.940 0 50 HHAA CNC(=O)Nc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)nc4[nH]3)c2)cc1 1438684011 AKKLSYVGWTXOTF-UHFFFAOYSA-N 400.442 3.937 0 50 HHAA CCOC(=O)c1oc2ccc(S(=O)(=O)NCc3c(CC)noc3CC)cc2c1C 473850941 DPDNBZMXRHHPGY-UHFFFAOYSA-N 420.487 3.509 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 229905395 REWMXWOZTYGKBV-CEWLAPEOSA-N 404.576 3.719 0 50 HHAA COc1cccc(OC)c1-c1cc(C(=O)O)cc(S(=O)(=O)N2CCCCCC2)c1 71764454 HBDHMRSNRGOQNO-UHFFFAOYSA-N 419.499 3.634 0 50 HHAA O=C(NC1CCCCCCC1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82136771 WQDZPJLPSBTMJQ-JOCHJYFZSA-N 412.622 3.987 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 248377951 IDFNNJUZUWUVHU-MOUTVQLLSA-N 408.457 3.944 0 50 HHAA COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 390827948 MIOSFPFSZMLAKQ-XWVZOOPGSA-N 409.574 3.842 0 50 HHAA O=C(Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C(=O)N1CC[C@H](c2ccc(F)cc2)C1 756126761 DVHGJCPTHODNSP-ZJBJCVSYSA-N 407.489 3.769 0 50 HHAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@H](c2nc(C(C)C)no2)C1 1506418970 VYWFXLAHJYLUPL-ZDUSSCGKSA-N 422.532 3.786 0 50 HHAA Cc1c(C(=O)NCc2ccccn2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 11692896 ZPZYLTPUSZYIGS-UHFFFAOYSA-N 410.437 3.709 0 50 HHAA COc1ccc(NC(=O)CCC2CCN(C(=O)c3ccc(OC)o3)CC2)c(OC)c1 11713210 PSQJKTLOXSAJAJ-UHFFFAOYSA-N 416.474 3.577 0 50 HHAA CC(C)=CCC[C@@H](C)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 12041271 SSJMTCBIBDYNSR-GOSISDBHSA-N 413.541 3.588 0 50 HHAA Cc1ccc(CNCc2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)o1 12053883 CKSMJQIBTQQFHG-HSZRJFAPSA-N 406.526 3.676 0 50 HHAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@H]3CC(Cc4ccc(F)cc4)=NO3)c2)n1 12206850 QCVYYCRDPPUXMX-HSZRJFAPSA-N 420.488 3.974 0 50 HHAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCC[C@H](OC)C2)c1 12315292 VABJGRVRCLEJOF-NRFANRHFSA-N 416.562 3.732 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)c1 12386542 LWJLKVQEIPEDLB-QGZVFWFLSA-N 415.559 3.717 0 50 HHAA O=C(c1ccc(Cl)cc1OC1CCN(C[C@H]2CCOC2)CC1)N1CCCCC1 12753197 VMMWLPJYQNZPKH-QGZVFWFLSA-N 406.954 3.846 0 50 HHAA CCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2 14540483 BJRLYYGBKQLRSF-UHFFFAOYSA-N 401.894 3.849 0 50 HHAA CC(C)n1cc(C(=O)NC2CCCCCC2)c(=O)c(C(=O)N[C@@H](C)c2ccco2)c1 15003227 AKPJWSYCUGVWTK-INIZCTEOSA-N 413.518 3.966 0 50 HHAA O=C(N[C@H]1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)C1)c1ccc2[nH]cnc2c1 169754036 FEOAYJNNBYHJRX-INIZCTEOSA-N 406.877 3.615 0 50 HHAA COc1ccc(-c2nc(-c3nnn4c3CO[C@H](c3ccccc3Cl)C4)no2)cc1 169769192 VFTINRFAYWCMAD-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Cc3ccc(F)cc3)no2)c2n[nH]cc2c1 1875257491 JTAFSIYURSMPPJ-GOSISDBHSA-N 405.433 3.962 0 50 HHAA Cc1nccn1[C@@H]1CCCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)C1 1875332332 XFYIPNXPIAKCQU-OAHLLOKOSA-N 419.407 3.958 0 50 HHAA C[C@@H](O)c1ncc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)s1 877843220 JSICUOPKNGKRGB-CWTRNNRKSA-N 409.467 3.692 0 50 HHAA C[C@H](c1ccccc1)[C@@H](NC(=O)C[C@H]1CCc2cc(Br)ccc21)C(N)=O 2325876807 BRBSTRPADYXBAI-OWDMVUQNSA-N 415.331 3.643 0 50 HHAA Cc1ccc(OCCCn2cnc3ccccc3c2=O)c(I)c1 2863047 PPAPZNMEVSNJPL-UHFFFAOYSA-N 420.250 3.779 0 50 HHAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1 2886764 SHBNTPFTMXPADG-UHFFFAOYSA-N 422.312 3.923 0 50 HHAA CCN(CC)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 3117299 REAWGRBAIOIMNP-UHFFFAOYSA-N 414.449 3.769 0 50 HHAA COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1OC 4177184 KRUXPENPUGDVMQ-HXUWFJFHSA-N 414.521 3.756 0 50 HHAA CC(C)c1ccccc1OCc1nnc(SCC(=O)Nc2nccs2)n1C 4736377 HZTVDGPTUNDBNE-UHFFFAOYSA-N 403.533 3.705 0 50 HHAA CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc2c1CC(C)(C)OC2 4859719 LIOYRQZWKXZFPU-UHFFFAOYSA-N 408.564 3.837 0 50 HHAA COc1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2ccccc2F)s1 9356627 PYPXEPSYHINTTK-UHFFFAOYSA-N 418.475 3.669 0 50 HHAA COCC(=O)NC[C@H]1CCC2(CCN(Cc3cccc(-c4ccccc4C)c3)CC2)O1 11814380 JDNUYZWOAJJNJN-HSZRJFAPSA-N 422.569 3.938 0 50 HHAA COc1cccc(CC2=NO[C@@H](C(=O)N[C@@H](c3ccncc3)c3ccccc3C)C2)c1 11881095 XIRBENFLBKLULF-RPWUZVMVSA-N 415.493 3.992 0 50 HHAA COc1ccc(C[C@]2(CCC(=O)N[C@H](C)c3ccc(OC)cc3)CCC(=O)N2)cc1 11909860 GCDWMBSOJVOPIA-OSPHWJPCSA-N 410.514 3.553 0 50 HHAA O=C1C[C@@H](C(=O)NC[C@@H]2Cc3cc(F)cc(-c4cccnc4)c3O2)c2ccccc21 11995473 OYJNDJWQMQRPOE-LAUBAEHRSA-N 402.425 3.678 0 50 HHAA O=S(=O)(Nc1ccc(N2CCC(NCc3ccco3)CC2)cc1)c1ccccc1 12246636 HPXLSRVEPNPRJE-UHFFFAOYSA-N 411.527 3.839 0 50 HHAA CC(=O)c1cc(C(=O)N2CCC(n3nccc3NC(=O)CC(C)C)CC2)cs1 12297731 ASQWSFVXTVNZBU-UHFFFAOYSA-N 402.520 3.609 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCC[C@@H](C(=O)Cc4ccccc4)C3)n2)cc1 12314402 NUTPFWFBSJRZBF-HXUWFJFHSA-N 419.481 3.547 0 50 HHAA CN(CCC1CCOCC1)Cc1cccc(OC[C@@H](O)CN2CCCCCC2)c1 12715756 ZBLBZXPUCRZVLQ-QHCPKHFHSA-N 404.595 3.551 0 50 HHAA C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCN(C4CCCCC4)CC3)c2C1=O 15070779 JVKCXUIIAWEQLB-MRXNPFEDSA-N 424.570 3.955 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)cc1 15078802 UQELNZLKSSJIQV-FQEVSTJZSA-N 418.497 3.714 0 50 HHAA CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCN1CCOCC1 19910717 IVVTYJWBIJOMGI-UHFFFAOYSA-N 402.516 3.561 0 50 HHAA O=C(Nc1ccc2c(c1)CN(Cc1cccn1-c1nccs1)CC2)[C@H]1CCCO1 20234856 OLERHWFTEIIYLU-HXUWFJFHSA-N 408.527 3.610 0 50 HHAA c1ccc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nc1 22034251 CVRXLMUYFMERMJ-UHFFFAOYSA-N 424.552 3.971 0 50 HHAA in-vitro C[C@H]1CN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)CCN1C 55415031 WVNCOZODQNVPJF-LBPRGKRZSA-N 408.449 3.858 0 50 HHAA Cc1cc(CN(C)C(=O)c2cc(CN3CCC(Cc4ccccc4)CC3)on2)on1 67640927 RYGPLCQHQVGLBH-UHFFFAOYSA-N 408.502 3.698 0 50 HHAA O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)c1cccnc1 72458757 SDLAQRGIYWEZPY-UHFFFAOYSA-N 413.481 3.569 0 50 HHAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@H](C)CN3CCOCC3)cc12 82106900 OOSNBQHZAURYTE-MRXNPFEDSA-N 409.505 3.867 0 50 HHAA COC(=O)[C@@H](Cc1cscn1)NC(=O)OCC1c2ccccc2-c2ccccc21 97756871 VTWASSDERMEESN-HXUWFJFHSA-N 408.479 3.766 0 50 HHAA Fc1cccc([Si](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1 169816583 VYHIWIVETIMKGU-UHFFFAOYSA-N 408.470 3.620 0 50 HHAA CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCN(CCOc3ccccc3)CC2)C1 170601575 TZHHDYLYCHYHPN-OAQYLSRUSA-N 417.594 3.720 0 50 HHAA CC1CCN([C@@H](CNC(=O)c2cn(Cc3cccs3)nn2)c2ccccc2)CC1 463192776 TUCRPKTVAIHHRP-NRFANRHFSA-N 409.559 3.591 0 50 HHAA O=C1CN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c2cccc(F)c2N1 783519365 RUIMHHPAFBFTOY-HXUWFJFHSA-N 416.408 3.879 0 50 HHAA Cc1ccc([C@H](NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c2cccnc2)cc1C 827992302 KJZTZYGZZAGIRI-QHCPKHFHSA-N 408.523 3.550 0 50 HHAA COC(=O)[C@H](c1cc(OC)cc(OC)c1)N1CCCN(c2ccccc2Cl)CC1 1460063347 TYOOXMNNFCEYMQ-NRFANRHFSA-N 418.921 3.784 0 50 HHAA O=C(NCc1ccccc1Cl)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 1477266480 CAMWBBRQZQKCDT-UHFFFAOYSA-N 417.847 3.526 0 50 HHAA O=C([C@H](c1cccnc1)N1CCCC1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506405042 BMWMRTAJBYOTHL-NRFANRHFSA-N 407.493 3.640 0 50 HHAA CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)[C@H](c1cccnc1)N1CCOCC1 1529144039 DWDODQSYLASZOJ-NRFANRHFSA-N 419.529 3.712 0 50 HHAA O=C(c1n[nH]cc1Cl)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356134156 BCXKQKSNNSFUAW-LPWQTFTOSA-N 416.928 3.760 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@H]2CC[C@H](c3ccccc3)N2)CC1 2356155314 BPPWOCLBMRSNIQ-DHIUTWEWSA-N 406.526 3.579 0 50 HHAA COc1cccc(N2C(=O)C[C@H](Sc3nc(C)c4cc(C)c(C)cc4n3)C2=O)c1 912701 ZAQRQHFRNZTEIR-IBGZPJMESA-N 407.495 3.988 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)cc1Br 1156670 HFDCYXFYURNTDO-UHFFFAOYSA-N 423.288 3.591 0 50 HHAA COc1cccc(CN2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)c1 2828243 UBGSJNGQKDRBBX-UHFFFAOYSA-N 421.585 3.873 0 50 HHAA CCN(CC)C(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3OC)no2)cc1 4785346 NGVHOYAYSKKRHQ-UHFFFAOYSA-N 422.485 3.799 0 50 HHAA CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccco2)cc1 5102214 KJIXCODGAFTOQD-XDJHFCHBSA-N 404.422 3.866 0 50 HHAA O=C(NC(=S)Nc1ncc(Br)cc1Br)c1cccs1 6142189 JWKVNNJAPNWVEU-UHFFFAOYSA-N 421.139 3.795 0 50 HHAA CCOc1ccc(OCC)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1 6700647 VJBRRPODZBRUSK-UHFFFAOYSA-N 415.895 3.955 0 50 HHAA COc1cc(-c2cnnc(NCc3nc4c(s3)CCCC4)n2)cc(OC)c1OC 11661097 SZDSHLZQFQYLEI-UHFFFAOYSA-N 413.503 3.512 0 50 HHAA O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)C2)CC1 11842464 CLWBAPYLMWMCSY-OAQYLSRUSA-N 422.500 3.686 0 50 HHAA Cc1cccc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)Cc4ccccc4)CC3)O2)c1C 11882246 PIEKWYUPVLBMOB-QFIPXVFZSA-N 420.553 3.816 0 50 HHAA CC(C)Cc1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n[nH]1 11934796 SQQAOBPPPWUNQG-GOSISDBHSA-N 406.534 3.645 0 50 HHAA O=C(NC[C@H]1CCC2(CCN(C(=O)Cc3cccs3)CC2)O1)C1CCCCC1 11965676 JTOSTABIHZEWLG-GOSISDBHSA-N 404.576 3.527 0 50 HHAA COc1ccc(/C=C/C(=O)NC[C@H]2Cc3cccc(-c4cccnc4)c3O2)cc1OC 12152024 MFFWUUVVXJPLAF-WAEYIKQSSA-N 416.477 3.899 0 50 HHAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2cccs2)CC1 12200243 GKQGFYSTFXWLHS-UHFFFAOYSA-N 410.499 3.683 0 50 HHAA O=C([C@@H]1Cc2ccccc2O1)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1 12243127 UZLMGJXYKRANHG-NRFANRHFSA-N 402.498 3.866 0 50 HHAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNC(C2CC2)C2CC2)C[C@@H](C)O1 12302454 XHZPNWWRFSERBP-OKILXGFUSA-N 416.953 3.515 0 50 HHAA CN(Cc1ccc(OC[C@H](O)CN2CCCCC2)cc1)Cc1nc2ccccc2o1 12438723 UAJMOVQIPDFGJU-HXUWFJFHSA-N 409.530 3.685 0 50 HHAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)c1 12584262 ABSYTHRBOWGRFO-QGZVFWFLSA-N 407.514 3.827 0 50 HHAA COCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(NCC(C)(C)C)cnc21 14746205 IJCZZJDFVIGBGA-UHFFFAOYSA-N 418.538 3.912 0 50 HHAA Cc1ccn2c(CN(C)C[C@@H](O)c3ccccc3)c(C(=O)N3CCCCCC3)nc2c1 19798900 YWEUUPIJJXPPGJ-JOCHJYFZSA-N 420.557 3.824 0 50 HHAA COc1cccc([C@@H](C)NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)c1 20608136 QUUDLPAVJHGAFF-XIKOKIGWSA-N 403.276 3.828 0 50 HHAA Cn1cc(C(=O)Nc2ccc3c(c2)CCC3)c(C(=O)Nc2ccc3c(c2)CCC3)n1 20616764 SMQRBFJJIRRJJB-UHFFFAOYSA-N 400.482 3.902 0 50 HHAA C[C@H]1CN(CCC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)Cc2ccccc2O1 39364935 YBYYNOVPGPMZQP-ICSRJNTNSA-N 418.541 3.942 0 50 HHAA Cc1nc(Nc2ccc(NC(=O)Cc3noc4ccccc34)cc2)cc(N(C)C)n1 65362337 OOFRRTDFXVOGHB-UHFFFAOYSA-N 402.458 3.917 0 50 HHAA Cc1ccn(-c2ccc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nn2)n1 72437588 WRULZISFCKHABG-UHFFFAOYSA-N 424.508 3.600 0 50 HHAA COc1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)c(OC)c1 101191818 MIZDBXNJJPMSDC-INIZCTEOSA-N 414.263 3.509 0 50 HHAA COc1cc(OC)cc([C@@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)O)c1 225781256 MHMZHUHJOALGFH-KRWDZBQOSA-N 402.472 3.698 0 50 HHAA COCCn1c([C@@H](C)NC(=O)Cn2ccc3cc(OC)ccc32)nc2ccccc21 252497735 QOPOWSGARHOVCP-MRXNPFEDSA-N 406.486 3.523 0 50 HHAA C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccn(-c3ccc(F)cc3F)n2)C1=O 485994846 VNUVVQOAGQAWAI-FQEVSTJZSA-N 416.815 3.771 0 50 HHAA COC(=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 1848443577 DLYVTEULDNMQAR-YCPQNZSGSA-N 422.606 3.537 0 50 HHAA Cc1cc(F)cc(CN2CCC3(CC2)CN(C(=O)C2CCCCC2)C[C@H]3C(=O)O)c1 1857692205 UDVBJYZGINNCDB-NRFANRHFSA-N 416.537 3.840 0 50 HHAA Cc1cccc2oc(CNC(=O)C[C@@H]3CCCN(c4nc5ncccc5o4)C3)nc12 1857708312 NAXFEPPTZDJKOG-HNNXBMFYSA-N 405.458 3.595 0 50 HHAA CC(C)c1nnc(N2C[C@@H](C(=O)NCc3ccc4sccc4c3)CC2=O)s1 1857726478 SWERPOCOFDFAGL-AWEZNQCLSA-N 400.529 3.546 0 50 HHAA O=C(Nc1ccc2nc(O)n(C3CC3)c2c1)c1ccc(S(=O)(=O)C2CCC2)cc1 1875328356 NJFUTIPXEFRTRL-UHFFFAOYSA-N 411.483 3.655 0 50 HHAA CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3)n2)cc1 1875354783 OWRHJBQQEUQQNN-UHFFFAOYSA-N 400.460 3.522 0 50 HHAA O=C(c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCSCC1 866666 QGXBJKKEGIDPAJ-WCQYABFASA-N 402.467 3.794 0 50 HHAA Cc1ccc(C)c(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 20993880 HOXXHZMKITYHDE-JOCHJYFZSA-N 421.545 3.673 0 50 HHAA CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)nc1-c1ccccc1 2760362 BSPMLFLFBDUHPG-ZIAGYGMSSA-N 400.456 3.592 0 50 HHAA Cc1cc(S(=O)(=O)Nc2c(Br)cnn2-c2ccccc2)ccc1F 328590488 LMCIRZRSTUPQJE-UHFFFAOYSA-N 410.268 3.883 0 50 HHAA O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 230083636 MVPPLLXGOQICAR-IJEWVQPXSA-N 414.449 3.678 0 50 HHAA Cc1sc(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)c(C(=O)NC2CCCC2)c1C 239248033 XXEGYENHXBILJS-DFEHZGFQSA-N 416.543 3.889 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(c2nc(C(C)C)no2)CC1 952970038 RLGFXZKQZORYCO-UHFFFAOYSA-N 407.518 3.944 0 50 HHAA C[C@@]1(C2CCN(Cc3ccc(F)cc3)CC2)NC(=O)N(Cc2ccsc2)C1=O 11784124 GUPZVOWIGFAOHJ-NRFANRHFSA-N 401.507 3.610 0 50 HHAA COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3scc4c3OCCO4)C2)cc1C 12576456 QIZGKTFRDZMYHR-OAHLLOKOSA-N 415.511 3.880 0 50 HHAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(CC)on2)C1 12594764 GLDIMHYDOBYBLK-OAQYLSRUSA-N 404.894 3.919 0 50 HHAA COCCN(Cc1c(C)nn(C)c1Cl)CC1CCN(Cc2ccccc2F)CC1 15066024 DPVRMZRYFLIIKM-UHFFFAOYSA-N 422.976 3.882 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(F)c3)n2)ccc1C 16624920 MDNYSPJYZXHMTJ-HNNXBMFYSA-N 422.460 3.906 0 50 HHAA COc1ccccc1N1CCN([C@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)CC1 19794688 FXCBDRDNWHMBSG-QHCPKHFHSA-N 407.558 3.684 0 50 HHAA COC(=O)c1cccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCCN2C3=O)c1 169766427 DLXACPDFTFSSBX-HXUWFJFHSA-N 407.470 3.518 0 50 HHAA CN1CCC[C@H](COc2cccc(CN(C3CC3)S(=O)(=O)c3cccs3)c2)C1 20208136 LKZQKQSGQBQPMV-SFHVURJKSA-N 420.600 3.822 0 50 HHAA C[C@H](C(=O)Nc1cccc(C(=O)Nc2cnccn2)c1)[C@@H]1OCCc2sccc21 1875253334 GRFSWDMOFXWCJD-DJJJIMSYSA-N 408.483 3.679 0 50 HHAA CC1CC(c2nc(-c3cnn(CCO)c3)nn2-c2ccc(OC(F)(F)F)cc2)C1 1875348320 NCWDJLPRHBVDOD-UHFFFAOYSA-N 407.396 3.535 0 50 HHAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 844405 QWRRGCMLBCNIRF-GCJKJVERSA-N 422.481 3.616 0 50 HHAA biogenic CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1nnc(C)s1 2189867 YWZYYBXRNGIHIJ-ZDUSSCGKSA-N 413.532 3.669 0 50 HHAA COc1ccc(-c2nnc(SCc3nc(N)nc(Nc4ccccc4)n3)o2)cc1 4455971 UKAADJBESZGXTH-UHFFFAOYSA-N 407.459 3.548 0 50 HHAA CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 1142605 BOEOIGSEGXHBOF-GFCCVEGCSA-N 414.886 3.671 0 50 HHAA COc1cccc2c(NCCCN3CCCC3=O)nc(C(Cl)(Cl)Cl)nc12 2871169 NKNWHVKIXUHVJG-UHFFFAOYSA-N 417.724 3.890 0 50 HHAA O=C1N[C@H](c2c(F)cccc2Cl)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 8915361 BFDBJKZLOJVEMP-JMSVASOKSA-N 422.787 3.645 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN([C@H](C)CCSC)CC2)c(Cl)c1 11663135 QVAXJNHILKXKMW-OAHLLOKOSA-N 414.999 3.701 0 50 HHAA CN(C[C@H]1CCCCO1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11818060 ABCRPPHVKGQIKF-XMMPIXPASA-N 423.557 3.766 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)c2ccco2)C1 11949673 WFRLTBIYXQENOT-AWEZNQCLSA-N 418.877 3.782 0 50 HHAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccs4)C3)C2)c1OC 11953857 NOOBJGHOARGYBZ-QFIPXVFZSA-N 400.544 3.894 0 50 HHAA O=C(C1=CCCC1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 15078769 QHRIGTWADZOAQX-FQEVSTJZSA-N 407.480 3.929 0 50 HHAA CCCn1ncc(CN2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1C 20212491 GFPBNXAIJQTLAC-JOCHJYFZSA-N 414.594 3.758 0 50 HHAA COC(=O)c1ccccc1OCCCN1CCN(Cc2ccc(Cl)cc2)CC1 22861163 ZGHQYWAPSBRARZ-UHFFFAOYSA-N 402.922 3.713 0 50 HHAA CC(C)C(NC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)C(C)C 82087668 GSZSPWNXSPQXTP-OAQYLSRUSA-N 400.611 3.555 0 50 HHAA CC(C)C1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1 82108600 XIURZMWYKOPQMS-QHCPKHFHSA-N 412.622 3.653 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(Cl)ccc1OC 84382920 PSONQOZXDSAARP-GOSISDBHSA-N 402.903 3.842 0 50 HHAA Cc1sc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c(C(N)=O)c1-c1ccc(F)cc1 138965189 LCNOIVZFZCBWSU-GVAFMPQTSA-N 416.474 3.647 0 50 HHAA Cc1nn(-c2ccc(C(=O)NCc3cccc(N4CCC4=O)c3)cc2)c(C)c1Cl 225660979 OEIDNIMTQHMMBD-UHFFFAOYSA-N 408.889 3.809 0 50 HHAA CCSCC[C@H](C)NC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 253392892 KIEJMCBWYRWEAP-HOTGVXAUSA-N 424.611 3.796 0 50 HHAA O=C1C[C@H](c2ccc3c(c2)OCCO3)c2c(ccc(C(=O)c3ccccc3)c2O)O1 253414784 YPCUHKRTFFNWKI-QGZVFWFLSA-N 402.402 3.835 0 50 HHAA biogenic NC(=O)Cc1csc(NC(=O)C[C@H](c2cccc3ccccc23)n2cccc2)n1 263588620 WHDMYGCISOPOBC-LJQANCHMSA-N 404.495 3.744 0 50 HHAA CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cc(N)n[nH]1 426667684 WUOGNYBKIHFNRX-FQEVSTJZSA-N 417.513 3.707 0 50 HHAA C[C@H](c1cn(-c2ccccc2)nn1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 472729958 AJZFKOHGXCXHBB-LJQANCHMSA-N 411.513 3.608 0 50 HHAA O=C(c1cnc(C2CC2)nc1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704335301 CVUNCIDKAJYCNG-RUZDIDTESA-N 411.509 3.931 0 50 HHAA COc1ccc(-c2cc(C(=O)N[C@H](C)Cc3nc(-c4ccccc4)no3)no2)cc1 1857799451 CYWKRXXHYDVGLA-CQSZACIVSA-N 404.426 3.761 0 50 HHAA C[C@H](CNC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)c1cccc(F)c1 1875256831 YTMCUOKKGOSYQB-CYBMUJFWSA-N 413.474 3.703 0 50 HHAA CC(C)(C)SCC(=O)NC1(CNC(=O)[C@@H]2Cc3ccccc3S2)CCCC1 1875345542 BBCSLCBJQVOLHY-KRWDZBQOSA-N 406.617 3.780 0 50 HHAA O=C(N[C@@H]1CCCC12CN(c1nc(-c3cccnc3)nc3ccccc13)C2)C1=CCC1 1875359261 ZKYUADKEGCERIZ-OAQYLSRUSA-N 411.509 3.887 0 50 HHAA O=C1CCc2cc(OC[C@H](O)CNCc3cc(Cl)cc4ccoc34)ccc2N1 2325860271 BAUSQITZAHFBGC-QGZVFWFLSA-N 400.862 3.500 0 50 HHAA CCOC(=O)C1=C(CSc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(OC)cc1 1069971 VTWHJWALLXQIEV-FQEVSTJZSA-N 412.511 3.967 0 50 HHAA COC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(C(=O)OC)c1 1131558 PKIVXYUZGUATEZ-UHFFFAOYSA-N 405.834 3.709 0 50 HHAA CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 1132574 SYTZMHVBDQGKRN-UHFFFAOYSA-N 417.531 3.610 0 50 HHAA COc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@H]3C2=O)c1 1174243 DAEAVKWGQROMRQ-AYIBLLACSA-N 423.468 3.835 0 50 HHAA O=C1[C@@H](c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C(=O)CN1C1CCCCC1 3037493 MMHHHXGLLASCBS-HSZRJFAPSA-N 424.472 3.799 0 50 HHAA C[C@@H](Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc(Cl)c1 10059010 CECFKIGPQZTEMT-GFCCVEGCSA-N 415.902 3.839 0 50 HHAA OCc1ccc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)o1 11838255 MZSSBGDOZFSBKF-DEOSSOPVSA-N 424.585 3.632 0 50 HHAA CN(C[C@H](O)COc1cccc(CNCCCc2cccnc2)c1)C1CCCCC1 12436104 JSOPTIJBWGQCIF-DEOSSOPVSA-N 411.590 3.808 0 50 HHAA Cc1nn(C)cc1CNC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1 12509561 ZEYKYTPNBSUXAS-UHFFFAOYSA-N 421.520 3.879 0 50 HHAA CN(C)C(=O)c1cc(CNCCCc2ccccc2)cc(NC(=O)c2ccccn2)c1 14969251 JHRWCOYMOYRWOQ-UHFFFAOYSA-N 416.525 3.758 0 50 HHAA CC1(C)C[C@@H](C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCCCc2ccccc2)CCO1 14972273 ZFUGPBQWIOUQNY-SFTDATJTSA-N 412.574 3.569 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)c(OC)c1 19112654 FRYSEKCYGABFJU-LJQANCHMSA-N 423.557 3.658 0 50 HHAA COc1ccc([C@H](C)NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)cc1 20602103 GKVQUTFTFWYENI-SGTLLEGYSA-N 403.276 3.828 0 50 HHAA CCn1ccc(CN(C)C(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)n1 20602482 QJSDPEBKOOLDCF-UHFFFAOYSA-N 420.439 3.511 0 50 HHAA CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)NCC(=O)OC)[C@H]2CO[C@@H]1C2 43772741 STIYTIWKJAUJKK-KJDGPHROSA-N 421.578 3.541 0 50 HHAA in-vitro O=C1Nc2cc(Br)ccc2[C@@H]1CN(Cc1ccco1)C[C@H]1CCCO1 252513447 ZZWMEUORAUBYTE-WBVHZDCISA-N 405.292 3.759 0 50 HHAA COCCn1c([C@@H](C)NC(=O)Cn2ccc3c(OC)cccc32)nc2ccccc21 252550803 SXYBBFBCJUZAGC-MRXNPFEDSA-N 406.486 3.523 0 50 HHAA COCCNc1ncnc2sc(C(=O)N3CCCC[C@H]3c3cccnc3)c(C)c12 299765430 ATNZYPORAPXDJO-INIZCTEOSA-N 411.531 3.820 0 50 HHAA O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 409414861 PVOZFWQMQGFNGX-UXHICEINSA-N 416.481 3.567 0 50 HHAA CN1CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)C2(CCCCC2)C1 467477478 WUBKVPNBKUZEBR-UHFFFAOYSA-N 413.953 3.889 0 50 HHAA COc1cccc2c1OCCCN(C(=O)C1CCN(C(=O)c3ccc(C)cc3)CC1)C2 824805021 ZAZWRBIYAWBZQH-UHFFFAOYSA-N 422.525 3.667 0 50 HHAA CC(C)(C)OC(=O)N1CCc2ccc(CNc3cccc(S(C)(=O)=O)c3)cc2C1 863994132 RYZBDTAEGPEIJC-UHFFFAOYSA-N 416.543 3.995 0 50 HHAA COc1cccc([C@@H]2CCN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C2)c1OC 1506396491 UHXQIFUTFXHGSG-CQSZACIVSA-N 417.889 3.687 0 50 HHAA O=C(NCc1ccc(Br)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1Cl 1775973133 LQIUUSSRSZKOSJ-KRWDZBQOSA-N 421.722 3.910 0 50 HHAA CC(=O)N1CCC[C@@]2(CCc3c2nc(-c2cccnc2)[nH]c3=N[C@H]2CC[C@H](C)CC2)C1 1875248243 FUWOWFLIAOJTTL-FLPMJASOSA-N 419.573 3.777 0 50 HHAA C=CC(=O)N(CC)CC(=O)NCc1ccnc(Oc2ccccc2C(F)(F)F)c1 1875372011 UBULZESLSFPTJC-UHFFFAOYSA-N 407.392 3.543 0 50 HHAA COc1cccc(F)c1OC(=O)c1cncc(C(=O)Oc2c(F)cccc2OC)c1 2325704974 DAQQSRIFZZTRHL-UHFFFAOYSA-N 415.348 3.815 0 50 HHAA Cc1nc(-c2cccc(C(=O)Nc3ccc(CN4CCSCC4)cc3C)c2)n[nH]1 2325735536 RACRSWCHMAEQQR-UHFFFAOYSA-N 407.543 3.890 0 50 HHAA O=C(NCC(F)F)[C@@H](c1ccccn1)N(C(=O)c1ccccc1)C1CCCCC1 2325826571 FZMCAQAOYOGVJY-HXUWFJFHSA-N 401.457 3.979 0 50 HHAA NC[C@H](CC(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(Br)s1 2325861148 HEJHSDWHEGZAOO-LBPRGKRZSA-N 405.321 3.972 0 50 HHAA CSC1=C(C(=O)N[C@H]2CCCC[C@H]2N(C)C(=O)[C@@H]2CC(C3CC3)=NO2)CCCC1 2325872875 QBNMRCYLZPASBG-UHOSZYNNSA-N 419.591 3.618 0 50 HHAA COc1ccc(-c2onc(NCc3csc(N4CCCC4)n3)c2C(=O)O)cc1 2356162851 RPOHIIKLKGWACZ-UHFFFAOYSA-N 400.460 3.717 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 647162 JAOFMRIOTOHYNO-UHFFFAOYSA-N 409.467 3.698 0 50 HHAA CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 846514 WKUOCHYIOQJIRR-JOCHJYFZSA-N 412.445 3.735 0 50 HHAA CCOC(=O)c1ccc(COC(=O)c2ccccc2NC(C)=O)c(Br)c1 1115870 MPSVLGJUUGXFBT-UHFFFAOYSA-N 420.259 3.941 0 50 HHAA CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1nc(C)cs1 1127798 OHRSEJOQHNPODF-UHFFFAOYSA-N 403.533 3.681 0 50 HHAA COc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)c(OC)c1 1171666 FFZVWRUOZBTKJY-FQEVSTJZSA-N 424.482 3.722 0 50 HHAA O=C(c1ccc(-c2cncc3nc[nH]c23)cc1)N1CCN(c2ccccc2F)CC1 2356137831 BGOUHCJQFPHMKO-UHFFFAOYSA-N 401.445 3.726 0 50 HHAA COC(=O)c1ccc(NC(=O)N2CCC[C@@]23CCCN(c2ccc(C)cc2)C3=O)cc1 2356149706 RULPDKYRFGUDIB-XMMPIXPASA-N 421.497 3.975 0 50 HHAA CCOc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)N(CC(=O)OC)C2=S)cc1 2830557 DUZVCKCIWCHNBK-VTGAJVDQSA-N 422.506 3.789 0 50 HHAA CCOC(=O)c1ccccc1NC(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 2869465 SOBUYIXOMCEUAI-AWEZNQCLSA-N 424.478 3.552 0 50 HHAA Cc1cccc(Cc2nnc(CCC(=O)N[C@H]3CCCN(Cc4ccccc4)C3)o2)c1 23153542 XWECUWZDZLZHKH-QFIPXVFZSA-N 418.541 3.682 0 50 HHAA CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3ccc(CC)cc3)CC2)c1 170623959 CVHQNFZYFZOAKM-UHFFFAOYSA-N 418.559 3.557 0 50 HHAA CC(C)n1ncc2c(C(=O)Nc3ccn(C4CCN(C)CC4)n3)cc(C3CC3)nc21 489992769 YYVFJIVPRCQIOH-UHFFFAOYSA-N 407.522 3.605 0 50 HHAA O=C(O)CNC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 237942374 FXGBYTZDAGMNCE-UHFFFAOYSA-N 402.450 3.539 0 50 HHAA CCC1(CC)CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)C1 82121759 MYGOQSNTGYJCQJ-QFIPXVFZSA-N 412.622 3.797 0 50 HHAA O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCC[C@@H]2CCCC[C@H]21 145291090 JALSUCQBKFICGJ-SQGPQFPESA-N 424.994 3.922 0 50 HHAA Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2CN1CCN(c2ccccc2)CC1 253495970 YCCOXSLRYWFLAX-UHFFFAOYSA-N 401.510 3.522 0 50 HHAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCC4(C=Cc5ccccc54)CC3)cn12 1940197674 HQIQAOKJTDSRFR-NRFANRHFSA-N 402.498 3.620 0 50 HHAA NC(=O)c1cccc(Oc2ccc(NC(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2)c1 1338768417 AKSAUVGJRPVCKI-FNZWZJOASA-N 406.482 3.848 0 50 HHAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1 12381265 RTHZDSFESITSOV-UHFFFAOYSA-N 413.562 3.972 0 50 HHAA CCN(CC)C[C@@H](O)COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC 12458774 STHSWXSNKDMFNY-HXUWFJFHSA-N 404.526 3.514 0 50 HHAA CN(Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 12705331 PIUUWOAFBCXQRE-QFIPXVFZSA-N 424.564 3.742 0 50 HHAA Cn1c(CCNC(=O)/C=C/c2ccccc2Cl)nnc1SCc1ccccn1 15001586 WAPFZCNAPIWAOQ-MDZDMXLPSA-N 413.934 3.528 0 50 HHAA Cc1nc(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)cc(C(F)(F)F)n1 169772570 HXKCNPRHZKGMTK-UHFFFAOYSA-N 412.843 3.990 0 50 HHAA Cc1ccccc1-c1ccc(CN2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)cc1 20863002 IOQVKUVYFLWFKZ-UHFFFAOYSA-N 415.541 3.983 0 50 HHAA Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1 1196740 BJDNJWJLYKEHTM-UHFFFAOYSA-N 401.513 3.621 0 50 HHAA C[C@H](Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 2746429 ULNZEWRILMGKQC-LBPRGKRZSA-N 400.891 3.587 0 50 HHAA COc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)CNC(=O)c1ccccc1 4842141 ARVHNABWEDDHPU-UHFFFAOYSA-N 412.449 3.674 0 50 HHAA CC[C@@H](Sc1nnc(-c2ccncc2)n1CC(C)C)C(=O)Nc1nnc(C)s1 9304491 GPOYKPXTQPHDFU-CQSZACIVSA-N 417.564 3.665 0 50 HHAA COc1cccc(CNCC[C@@H]2CCC(=O)N2Cc2ccc(-n3cccn3)cc2)c1 11784292 RTLVOUNNBKKESA-NRFANRHFSA-N 404.514 3.552 0 50 HHAA COc1ccccc1C(=O)[C@H]1CCCN(C(=O)Cc2cc(=O)oc3cc(C)ccc23)C1 11814424 KLBLFTRQLPSGNB-KRWDZBQOSA-N 419.477 3.774 0 50 HHAA COc1ccc(CCN2CCC[C@H](CN(C)Cc3cnc(SC)nc3)C2)cc1 11873391 JTSUBCGXYSTHOI-LJQANCHMSA-N 400.592 3.594 0 50 HHAA CCN(CC)C[C@H](O)COc1cc(CNCc2cc(F)ccc2C)ccc1OC 12111741 OPKHHKIIBUOGNU-NRFANRHFSA-N 404.526 3.514 0 50 HHAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc1Cl 12709063 SXJXPTWPVVIRDW-HNNXBMFYSA-N 408.926 3.733 0 50 HHAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)o1 13595903 KUCKIBCIVFKLSR-AWEZNQCLSA-N 406.429 3.515 0 50 HHAA Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1CNC[C@H]1CCCO1 13660099 FOFDCQHEZOTDFJ-HMXCVIKNSA-N 400.906 3.580 0 50 HHAA CC[C@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@H]2CCCO2)c2ncc(NC(C)C)cc12 14750712 FBMYBNQZFFVNID-GOEBONIOSA-N 416.522 3.807 0 50 HHAA CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cn(C)c4ccccc34)CC2)C1=O 14754251 HSIRXFPLNZMDNY-UHFFFAOYSA-N 410.562 3.843 0 50 HHAA O=C(CCc1cnccn1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 14954818 FXQDEDUGZJOBJH-QHCPKHFHSA-N 401.510 3.859 0 50 HHAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 14981242 PTAWRICUJQYMJC-PLMTUMEDSA-N 420.513 3.520 0 50 HHAA CN1CC[C@@](C)(CNC(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 20775089 NCLXFORXVHNPKV-NRFANRHFSA-N 416.953 3.584 0 50 HHAA CCOC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(C)=O 35238646 RWEZKARWHNFJDZ-LJQANCHMSA-N 405.292 3.650 0 50 HHAA CN(Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1)Cc1nccs1 55195679 TYTDMXQGAITOOJ-NRFANRHFSA-N 411.571 3.647 0 50 HHAA CCCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CCC)c2=O)cc1 100551167 ZKASUPWOHUOQDS-UHFFFAOYSA-N 408.454 3.936 0 50 HHAA CCCCS(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc1 170611585 WRZZMMJDJYKLAY-IBGZPJMESA-N 408.564 3.840 0 50 HHAA COC[C@@](C)(NC[C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)c1ccccc1 252493896 NGBKYQCQZOFVHC-GBXCKJPGSA-N 413.562 3.916 0 50 HHAA CC[C@@H](C)NC(=O)c1c(O)nc2c(Br)cc(Br)cc2c1O 299738354 ZHLNAIHTYNUVGC-ZCFIWIBFSA-N 418.085 3.699 0 50 HHAA O=c1c(CN2CCOc3ccc([C@@H](O)c4ccncc4)cc3C2)coc2ccccc12 299791183 CPYPWKARUQHJCN-DEOSSOPVSA-N 414.461 3.664 0 50 HHAA O=C(NCc1ccc(-c2ccco2)cc1F)[C@@H](c1ccccc1F)N1CCOCC1 468378911 YDQGZYASDMKDBE-JOCHJYFZSA-N 412.436 3.915 0 50 HHAA CN1C[C@@]2(CCCN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC2)OC1=O 823754205 YHLHLXPLJGSDIV-DEOSSOPVSA-N 417.513 3.741 0 50 HHAA O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506400401 UPYXPECQZDTVTG-QGZVFWFLSA-N 407.493 3.720 0 50 HHAA COc1cc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)ccc1OC(C)C 1704351015 LYVRDQXDBRJDEL-KNQAVFIVSA-N 420.509 3.706 0 50 HHAA O=C(N[C@H]1CCCn2cc(C(=O)O)nc21)OCC1c2ccccc2-c2ccccc21 1772717958 MHRIYAWHMJHADE-IBGZPJMESA-N 403.438 3.955 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)C1 1875371717 JZRDFUJLWWVJKI-CJNGLKHVSA-N 423.376 3.869 0 50 HHAA O=C(CSc1nnc(-c2ccc(Br)cc2)o1)NCc1ccccc1 854043 XJRWBJRCPVVSLI-UHFFFAOYSA-N 404.289 3.908 0 50 HHAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc1OC 862829 UTLDSELVNKWKQM-SFHVURJKSA-N 401.850 3.624 0 50 HHAA CC(C)C(=O)Nc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)s1 1114434 AHBATQDIUHSKMN-UHFFFAOYSA-N 404.439 3.882 0 50 HHAA Cc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)cc1Cl 1172306 GKNVGQAPIOBJBD-UHFFFAOYSA-N 415.902 3.877 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1ccc(OC)cc1 1201475 YUPMIBDYSBYXIO-FQEVSTJZSA-N 408.479 3.656 0 50 HHAA Cc1ccc(CSCCNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 2871800 OWBQZKXRTLRTBV-GOSISDBHSA-N 420.600 3.508 0 50 HHAA Cc1cc(OCc2ccc(C(=O)N3N=CC[C@@]3(O)C(F)(F)F)o2)ccc1Cl 6527804 SEOWDNKQWJCNNS-MRXNPFEDSA-N 402.756 3.903 0 50 HHAA CCc1nnc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2CC(C)C)s1 9224931 IITZIGMLRHQYTO-GFCCVEGCSA-N 417.564 3.529 0 50 HHAA CSCC[C@@H](C)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 11821297 ZOCGJJZRCJIQLZ-GOSISDBHSA-N 413.587 3.996 0 50 HHAA CC(C)S(=O)(=O)c1ncc(CN(C)Cc2ccco2)n1CCc1ccccc1 12299845 WVTZONKFNKWYKT-UHFFFAOYSA-N 401.532 3.533 0 50 HHAA COC(=O)c1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 13131770 VGQDVELLOMXVFC-FQEVSTJZSA-N 417.469 3.609 0 50 HHAA OCC[C@H]1CN(Cc2ccc3cccc(F)c3n2)CCN1CCCc1ccccc1 20998362 XPRKJELSUPIVKB-QHCPKHFHSA-N 407.533 3.875 0 50 HHAA Cc1nc(N2CCC(NC(=O)c3cccc4[nH]ccc34)CC2)cc(C(F)(F)F)n1 169772447 HTWIYPISJRHLTL-UHFFFAOYSA-N 403.408 3.684 0 50 HHAA Cc1nc(Cl)ccc1NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 225723224 BITHGXOOCCVDCX-UHFFFAOYSA-N 412.803 3.688 0 50 HHAA COc1cc(OC)cc([C@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)O)c1 225781277 MHMZHUHJOALGFH-QGZVFWFLSA-N 402.472 3.698 0 50 HHAA COc1cc(-c2nn3c(-c4c(C)nc5ccccn45)nnc3s2)cc(OC)c1OC 227143057 BGMNKUHYCGWTQV-UHFFFAOYSA-N 422.470 3.502 0 50 HHAA O=C(CCc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 257199324 ZRBXXIDEDYNXKB-NZCWTCFWSA-N 406.570 3.976 0 50 HHAA biogenic Oc1ccc2c(c1)C1(CC1)CN(C[C@@H](O)COc1cc(F)cc(Br)c1)C2 463425644 JYCOLFLVULCASE-QGZVFWFLSA-N 422.294 3.581 0 50 HHAA Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2c3c(nn2C)CCCC3)c1 768365239 UTAMBDURRCLSPX-HSZRJFAPSA-N 403.526 3.983 0 50 HHAA CON(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 1447529347 FRNYKXZMTXVBLC-INIZCTEOSA-N 417.303 3.701 0 50 HHAA Cc1ccccc1OC[C@@H]1CCCN(Cc2cc(=O)n3nc(C4CC4)sc3n2)C1 1529171789 BNHNMDQLYCVZHK-MRXNPFEDSA-N 410.543 3.628 0 50 HHAA Cc1nc([C@H](NC(=O)[C@@H]2C[C@@]23CCOc2ccc(Cl)cc23)c2ccccc2)n[nH]1 1857531734 FCAHGISEEPPHFC-LRXVAGHRSA-N 408.889 3.713 0 50 HHAA C[C@H]1CC[C@H](C(=O)NC[C@H]2[C@H]3CN(Cc4ccccc4F)C[C@]34CC[C@H]2O4)CC1 1857707614 GDHODEXKGMCXIN-BMKQSPENSA-N 400.538 3.748 0 50 HHAA Cc1ccc(S(=O)(=O)c2nc(-n3nc(C)cc3C)sc2N2CCCC2)cc1 1857800136 LJDRTLIYSSOXOB-UHFFFAOYSA-N 402.545 3.687 0 50 HHAA CCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)c(OCC)cc1C 1875302652 AVSALRHAIINEFF-UHFFFAOYSA-N 418.559 3.612 0 50 HHAA O=C([C@@H]1C[C@H]1C1CC1)N1[C@H](CNC(=O)[C@]2(F)C[C@H]2c2ccccc2)C[C@@H]2CCC[C@@H]21 2325872928 RUOXKHFMIVYQGU-WTOYAVKFSA-N 410.533 3.814 0 50 HHAA CCNC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(-c2ccccc2Cl)oc1C 2356153383 DRFJBGOHSFOTCE-ROUUACIJSA-N 401.894 3.927 0 50 HHAA Cc1ccc(Cl)c(OC(C)(C)C(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)c1 2356165270 ANXIYOKYGHORHZ-JOCHJYFZSA-N 404.938 3.952 0 50 HHAA COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccccc2OC)c1C 778399 VXJOFTNHKYXHIN-UHFFFAOYSA-N 414.439 3.949 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nc(C)n1 921141 UXYZOIUVWARQHQ-UHFFFAOYSA-N 410.499 3.763 0 50 HHAA Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 2871929 YWMKXQNHQPMXQU-UHFFFAOYSA-N 422.934 3.841 0 50 HHAA CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc(C(=O)OC(C)C)c1 4651254 CDIORBZSJUAOPQ-QZTJIDSGSA-N 419.474 3.647 0 50 HHAA CCOC(=O)C[C@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(OCC)cc1 4653335 CQGWGZLWANSKTH-SFHVURJKSA-N 401.459 3.527 0 50 HHAA COc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(OC)cc1NC(C)=O 6186230 OUCNTAJEESQYNO-UHFFFAOYSA-N 406.504 3.761 0 50 HHAA O=S(=O)(c1cc2ccccc2s1)N1CCC[C@@](CO)(Cc2ccccc2)C1 11813074 NYNVEKYUKSJREI-OAQYLSRUSA-N 401.553 3.907 0 50 HHAA CCN(CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3ccc(C)o3)n2)c1C1CC1 12148824 JUDMAPRPTWZQKC-UHFFFAOYSA-N 422.533 3.522 0 50 HHAA CCCN(Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F)CC1CC1 12434421 NAPMPEQWTOXWIQ-UHFFFAOYSA-N 407.555 3.875 0 50 HHAA CCN(CC)CCNC(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 12588486 FDFOWLDUZSPADC-UHFFFAOYSA-N 417.594 3.553 0 50 HHAA CCn1nc(C(C)C)cc1C(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 12713532 RGSHHXBHDHEQRH-QFIPXVFZSA-N 405.489 3.762 0 50 HHAA CSCCC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 14952031 BIAKYFLKXQUFME-FQEVSTJZSA-N 408.583 3.798 0 50 HHAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)c1ccc(Cl)cc1 15068418 QJTZZIJFJZKXIK-QFIPXVFZSA-N 422.013 3.625 0 50 HHAA CN1CCC(NCc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)CC1 19537737 SWWWWWRIIOLIRC-UHFFFAOYSA-N 417.985 3.578 0 50 HHAA Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(Cl)ccc3n2)o1 20407467 DTRURXDCNSCOJV-UHFFFAOYSA-N 413.905 3.909 0 50 HHAA CC(C)(CO)CN1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 20598650 GRGOUQISPPNVIE-UHFFFAOYSA-N 405.930 3.836 0 50 HHAA O=C(NCc1nc(-c2cccs2)no1)C1CCN(Cc2cccc(Cl)c2)CC1 67622828 ORNVWIZFXWLALR-UHFFFAOYSA-N 416.934 3.980 0 50 HHAA COc1ccc2ccc(OCc3nc(C(=O)N4CC(N5CCCCC5)C4)co3)cc2c1 67725428 VCADCXWHOPAHHM-UHFFFAOYSA-N 421.497 3.726 0 50 HHAA COc1cccc(C(=O)COc2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)c2)c1 101881814 FLWLHMPISASJLV-RXDCQRPESA-N 417.461 3.659 0 50 HHAA O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cnc2nccnc2c1 170595129 OLTOUFXYEJYBEZ-UHFFFAOYSA-N 409.877 3.993 0 50 HHAA COc1ccc(-c2noc(CCCC(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)n2)cc1 225619310 YLARIWDLJNEZMJ-ZCNNSNEGSA-N 413.518 3.610 0 50 HHAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)cc1 242167669 WYNRBVDTCKFSSS-BEFAXECRSA-N 404.557 3.902 0 50 HHAA COC(=O)C[C@H](c1ccc(-c2ccccc2C(=O)O)o1)c1cc2c(cc1O)OCO2 253413731 VNUOLSVQJIBDTR-HNNXBMFYSA-N 410.378 3.774 0 50 HHAA biogenic Cc1cc(N2CCCN(C(=O)[C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)CC2)ccn1 299797876 PCHMLXVHPRRZFI-VXNXHJTFSA-N 404.558 3.654 0 50 HHAA CSc1cccc(N2C[C@H](C(=O)N(C)C3CCN(c4ccccc4)CC3)CC2=O)c1 328593396 PEOHFUUUKFKNCJ-GOSISDBHSA-N 423.582 3.889 0 50 HHAA C[C@@H](C(=O)NCC1CCN(Cc2coc3ccccc3c2=O)CC1)c1ccccc1 822272709 YYBILESVLFYNTK-GOSISDBHSA-N 404.510 3.925 0 50 HHAA O=C(O)Cc1cccc(NC(=O)[C@H]2CCCN(Cc3coc(-c4ccccc4)n3)C2)c1 1875263696 SSISQHKBUNWTJW-IBGZPJMESA-N 419.481 3.819 0 50 HHAA Fc1ccc2c(c1)O[C@@H](COc1ccc(-c3cccnc3N3CCOCC3)cc1)CN2 1875387346 CTZRPMGSVSVPCM-HXUWFJFHSA-N 421.472 3.976 0 50 HHAA O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 2840635 BPGZJEKGWVFXLY-UHFFFAOYSA-N 413.524 3.847 0 50 HHAA O=C(O)CCSc1nnc(COc2cccc3cccnc23)n1-c1ccccc1 4247993 TZMZWMVZCRTASN-UHFFFAOYSA-N 406.467 3.961 0 50 HHAA CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc2c(c1)OCO2 4736406 XZWWGQCWVWJRNG-NSHDSACASA-N 417.516 3.578 0 50 HHAA CCOc1ccc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1 5521773 ABRRVYZUQBOUJX-UHFFFAOYSA-N 414.502 3.889 0 50 HHAA Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)cc1C 6819201 VDIUMZFBQUGYGS-UHFFFAOYSA-N 409.511 3.646 0 50 HHAA CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2)C(C)C 12244612 KOZVLWJFDAFVRL-QHCPKHFHSA-N 411.594 3.758 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CN[C@@H](C)Cn2cncn2)cc1F 12298249 BXLBMGRPVZWOMK-KRWDZBQOSA-N 420.492 3.765 0 50 HHAA O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccc(N2CCOCC2)cc1 12304479 VRQZZRIHTIMEET-OAQYLSRUSA-N 420.488 3.655 0 50 HHAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc3c(s2)CCCC3)CC1 12313847 OWMBFJWUVCBSJP-LJQANCHMSA-N 418.651 3.615 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CC12CCN(C(=O)Cc1cccs1)CC2 12456364 JGVXESDFBLSNTH-FQEVSTJZSA-N 420.538 3.744 0 50 HHAA COc1ccc(NC(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c(OC)c1 15070895 SQLPRJQZNYCZBJ-HXUWFJFHSA-N 424.545 3.522 0 50 HHAA COc1cc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc(OC)c1O 16663261 VDBXUZRKJFFLDE-UHFFFAOYSA-N 422.319 3.656 0 50 HHAA O=C(O)C[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 22229311 HURYDRANBZDEAQ-BCIXFCFJSA-N 414.461 3.790 0 50 HHAA C[C@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)[C@@H](C)NC(=O)OC(C)(C)C 170612373 JVDQDFNBFAMYFK-UONOGXRCSA-N 418.456 3.931 0 50 HHAA Cc1nc(NC(=O)[C@@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)sc1C 170647885 RKMUYTOSFNYAHM-BXUZGUMPSA-N 418.500 3.775 0 50 HHAA CN(C(=O)c1cccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)c1)c1ccccc1 237102586 RIKXVOYXAAKBFW-OAQYLSRUSA-N 416.477 3.637 0 50 HHAA Cc1c(C(=O)O[C@H]2C[C@H](OC(=O)c3cnn(C(C)(C)C)c3C)C2)cnn1C(C)(C)C 252549258 QZCCTWAAJQATDQ-WKILWMFISA-N 416.522 3.751 0 50 HHAA CCn1nc(C)c([C@H](C)NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c1C 670468162 HPGQWOPLHRLTJF-AWEZNQCLSA-N 402.520 3.831 0 50 HHAA Cc1ccc2cc(CN3CCC(CNC(=O)c4cccc(C)n4)CC3)c(O)nc2c1 825229057 OZMSEZZQOZVQEY-UHFFFAOYSA-N 404.514 3.594 0 50 HHAA COCCCN(C(=O)c1ccc(C)c(NC(=O)C2CCCC2)c1)C1CCN(C)CC1 1506423257 XIPFMYLUSQPLLI-UHFFFAOYSA-N 415.578 3.697 0 50 HHAA CCn1ccc2c(CN3CCO[C@H](CO)[C@H]3c3ccc(OC)c(OC)c3)cccc21 1529114713 UBZZTXRNMDNOJY-DNQXCXABSA-N 410.514 3.613 0 50 HHAA CC[C@](O)(CNC(=O)c1cnc(OCc2ccccc2)cn1)c1ccc(Cl)cc1 1875329764 IIKWUXGAZARHGC-QFIPXVFZSA-N 411.889 3.737 0 50 HHAA Cc1cc([C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1F 2325861075 DZMMAYIVZWPDCH-MQNAVGNWSA-N 420.484 3.844 0 50 HHAA CC1=NN(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)[C@](O)(C(F)(F)F)C1 653359 FZMQSNAZSRPBEY-LJQANCHMSA-N 408.376 3.820 0 50 HHAA COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c1 877967 KTZXGWXYUHOVKD-UHFFFAOYSA-N 418.906 3.884 0 50 HHAA CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2F)cc1 944374 LNEKJQPMUZONGO-IBGZPJMESA-N 421.432 3.522 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)Cc2cccc(C)c2)cc1 1124567 YEWPELHCPSWIEW-UHFFFAOYSA-N 414.571 3.943 0 50 HHAA CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C)oc2cc1OCC(N)=O 1131695 CMNBGSHDMNHWAW-UHFFFAOYSA-N 423.465 3.746 0 50 HHAA biogenic COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(Cl)c2)c(OC)c1 1165640 OJKABPSYCFSBAY-GOSISDBHSA-N 401.850 3.624 0 50 HHAA CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 1171375 DUNDSBQDBNLJIJ-UHFFFAOYSA-N 421.733 3.729 0 50 HHAA O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1Sc1ncn[nH]1)c1ccccc1 2708619 DPCQZFNXDCJQFK-MOPGFXCFSA-N 408.508 3.825 0 50 HHAA NC(=O)CSc1nnc(CSCc2ccccc2)n1-c1ccc(F)cc1F 6392895 BARDWVSUGJQKSQ-UHFFFAOYSA-N 406.483 3.556 0 50 HHAA Cc1nnc(SCC(=O)N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)s1 11934317 HDYDVHMORNWNMN-INIZCTEOSA-N 419.572 3.847 0 50 HHAA CC(C)(C)CN1CCC(Oc2ccc(C(=O)NCCc3c[nH]cn3)cc2Cl)CC1 11935599 UTXNKTUMKTVPLH-UHFFFAOYSA-N 418.969 3.925 0 50 HHAA Cc1ccc(-n2cc(CNCCSc3nncn3C)c(-c3ccc(F)cc3)n2)cc1 12056333 ZDOPDUAKKOSSDJ-UHFFFAOYSA-N 422.533 3.997 0 50 HHAA O=C(NCCc1ccccc1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12074104 ZVGYVFADJLINPC-SFHVURJKSA-N 404.432 3.803 0 50 HHAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2ccc3c(c2)OCO3)c1C 12208420 XZCSOLBXWSHKCP-LJQANCHMSA-N 403.482 3.954 0 50 HHAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12)NCCC1=CCCCC1 12749283 UMEZBMHFCGDTSN-HSZRJFAPSA-N 405.542 3.537 0 50 HHAA CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(CC(C)(C)C)CC2 14537545 INVSUTNTKZCVCL-UHFFFAOYSA-N 411.590 3.955 0 50 HHAA CC(C)c1csc(CN2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)n1 20783245 SUGMUYSUAOYNJP-OAHLLOKOSA-N 401.532 3.637 0 50 HHAA C/C(=C\c1ccco1)CN1CCc2nnc([C@H](C)NC(=O)c3ccccc3C)n2CC1 55568756 CAPFZVDNLCGGMR-LQATUXICSA-N 419.529 3.632 0 50 HHAA Cc1ccc(S(=O)(=O)c2nc(/C=C/c3ccccc3)oc2N2CCOCC2)cc1 111917939 USUNJHFJVAWBPN-FMIVXFBMSA-N 410.495 3.823 0 50 HHAA Cc1ccc([C@H]2Cn3nnc(-c4noc(COc5ccc(F)cc5)n4)c3CO2)cc1 169769344 ZEWZQHARVRWINY-GOSISDBHSA-N 407.405 3.626 0 50 HHAA O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1ccc(N2CCCC2)c(F)c1 225438932 GPWXBISAKLJWNN-INIZCTEOSA-N 412.383 3.788 0 50 HHAA CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)C1 229764607 CKZGEUCGLQACRO-MZKRTTBSSA-N 413.606 3.675 0 50 HHAA C[C@H](Cn1ccnc1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 240407380 FLVIPEYGDVMYIU-GJJHYRHESA-N 414.937 3.515 0 50 HHAA COC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)cc1 242701672 WIYNFUFUYYASSK-BLKABHOGSA-N 409.530 3.900 0 50 HHAA O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1cccc(N2CCCCC2)c1 252549046 QQNYVTQJAYECNN-HXUWFJFHSA-N 406.486 3.796 0 50 HHAA CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 253498094 IAWKZZUGLFNRFG-ZPKPBYFBSA-N 404.547 3.708 0 50 HHAA Cc1ccc([C@@H](CNc2nn3c(C(F)(F)F)nnc3c(C)c2C)N2CCCC2)o1 301740845 KUTLZFLFXNQNNB-CQSZACIVSA-N 408.428 3.910 0 50 HHAA O=C(OCc1cc2ccccc2nc1Cl)c1c[nH]n2c1nc(=O)c1ccccc12 919464736 FYYWHEOGQRFCRV-UHFFFAOYSA-N 404.813 3.734 0 50 HHAA O=C(c1ccc2cccc(F)c2n1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1529179530 CCGUHMOWJSSTBG-VGOFRKELSA-N 401.441 3.598 0 50 HHAA O=C(CC1(C(F)(F)F)SCCS1)N1CCC[C@H]1c1nnc2n1CCCCC2 1875254500 XCMJCLXGTULNDD-LBPRGKRZSA-N 420.526 3.797 0 50 HHAA O=C1N(Cc2ccccn2)CCC[C@@]12CCCN2Cc1ccc(OC(F)F)cc1 2100473365 KGRDRLAMSPKXSV-JOCHJYFZSA-N 401.457 3.840 0 50 HHAA O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(OCc2cscn2)cc1 2325712323 XKXBYKXQVCEHST-UHFFFAOYSA-N 404.495 3.897 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)CCc3ccc(O)cc3)C2)[C@@H]2CCCC(=O)N12 2356156773 QAIZWQHKXNEMQR-VAPSRWTKSA-N 412.574 3.989 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cnccc4C)C3)[C@@H]3CCCCN23)c1 2356144551 COVBAIIGFMWKMH-QKYMMTCKSA-N 419.569 3.956 0 50 HHAA O=C(Cc1cccnc1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356159159 OMQPPZIUHUGHNW-KJBBBAAKSA-N 407.533 3.707 0 50 HHAA Cn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccn1 6725839 WOZUTPONEFXJFC-UHFFFAOYSA-N 408.512 3.731 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc(F)c3F)C[C@H]2CCO)c(C)c1C 104548162 LOUCSGNTBIXQCF-HXUWFJFHSA-N 404.501 3.659 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc(Cl)c2)c(OC)c1 8742763 MMXTVHZCOYJJHH-SFHVURJKSA-N 417.918 3.789 0 50 HHAA Cc1cccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@@H]2c2ccco2)c1 9673776 PKRFCXVSJIJPKL-HXUWFJFHSA-N 423.494 3.951 0 50 HHAA COc1ccc2ccc(OCc3nc(C(=O)N4CCC[C@](C)(CO)C4)co3)cc2c1 67850884 LSXHUDYDINAXKG-QHCPKHFHSA-N 410.470 3.650 0 50 HHAA Cc1cccc(CN2CCC(C(=O)N(C)Cc3nc(-c4cccs4)no3)CC2)c1 67613349 XLTRQJISLPUVEU-UHFFFAOYSA-N 410.543 3.977 0 50 HHAA Cn1cc(Br)c(C(=O)Nc2ccc3c(C(F)(F)F)cc(=O)oc3c2)n1 680023 UJTAERHTDAESAP-UHFFFAOYSA-N 416.153 3.560 0 50 HHAA CCOc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccnn2CC)cc1 20602696 WQQPPJUEXRIQMC-UHFFFAOYSA-N 413.543 3.735 0 50 HHAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(O)C(=O)COC(C)=O)[C@]2(C)CC1 257356465 IFPCMALVGSJXQO-HJAATKQZSA-N 402.531 3.953 0 50 HHAA COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 263615953 GFNYPRMSUNKXQR-GOSISDBHSA-N 423.469 3.669 0 50 HHAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)n1 825264419 GQVDTVSIKHJEOX-LJQANCHMSA-N 424.442 3.829 0 50 HHAA Brc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169817228 UDZSLJULKCKKPX-UHFFFAOYSA-N 415.406 3.827 0 50 HHAA in-vitro CCO[C@@H]1C[C@H](N(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)C1(C)C 170636655 KESNTZGRHVTQLD-LSDHHAIUSA-N 417.575 3.768 0 50 HHAA Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC3CCN(CC(F)F)CC3)cc12 170601840 VTBFTRQEMQIDBK-UHFFFAOYSA-N 422.476 3.994 0 50 HHAA C[C@H](NC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)c1ccccc1 1113098 WOXABKPPZKOMIP-KRWDZBQOSA-N 413.477 3.857 0 50 HHAA COc1ccc(CSc2nnc([C@H](Cc3ccccc3)NC(=O)C3CC3)n2C)cc1 11786636 LTCCAGVNTRJOEB-FQEVSTJZSA-N 422.554 3.926 0 50 HHAA COc1ccc(CCN2CCC(CN(C)C(=O)c3ccc(N(C)C)cc3)CC2)cc1 12320746 PLJMVUXJIBCMQB-UHFFFAOYSA-N 409.574 3.788 0 50 HHAA O=C(c1ccc(Cl)cc1OC1CCN(C[C@@H]2CCOC2)CC1)N1CCCCC1 12753194 VMMWLPJYQNZPKH-KRWDZBQOSA-N 406.954 3.846 0 50 HHAA CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccc(OC)cc1)C2 14534530 LFAYGNJPZOGOQI-LJQANCHMSA-N 410.562 3.575 0 50 HHAA CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)CCN2CCCCO2)C1 14976220 MINQBZIVXXDZCC-ZXXUSRDYSA-N 414.546 3.679 0 50 HHAA COc1ccccc1/C=C/CN1CCC[C@H](CNC(=O)COc2ccccc2OC)C1 15067762 VYSGSLXHQPPJMC-OJLWIZQOSA-N 424.541 3.624 0 50 HHAA Cc1ccc(C(=O)N2CCC3(CC2)NC(c2ccc(Br)cc2)=NO3)cc1 169755055 XLCRZEAHRGYISQ-UHFFFAOYSA-N 414.303 3.671 0 50 HHAA COc1ccccc1CCc1nc(-c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)no1 169781132 ANWCZDQDRNAAAX-FQEVSTJZSA-N 417.469 3.702 0 50 HHAA CCCO[C@@H]1C[C@@H](C(=O)NCCCCc2ccccc2)CC[C@H]1NC(=O)C1CC1 1875242766 AMUCZPFRHHIOAX-BHDDXSALSA-N 400.563 3.616 0 50 HHAA O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1cc(O)nc(-c2ccccc2)c1 1875342195 CJUMOQDXMHACQL-UHFFFAOYSA-N 406.417 3.765 0 50 HHAA O=C(N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1n[nH]c2c1CCCCC2 1775986991 MYLFLKJDOHJUKO-AWEZNQCLSA-N 411.456 3.565 0 50 HHAA O=C(Nc1nnc(-c2ccc(I)o2)s1)c1cccs1 1857799556 KGYYAUDHPMCOHJ-UHFFFAOYSA-N 403.226 3.717 0 50 HHAA O=C(c1n[nH]c2ccccc12)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 11935483 IUXJRQBVXSUARW-HSZRJFAPSA-N 410.468 3.969 0 50 HHAA Cn1cc([C@H]2CCN(CCC(=O)Nc3ccc4nc(O)[nH]c4c3)C2)c2ccccc21 2325739593 WRXSRTRBLAUVRL-HNNXBMFYSA-N 403.486 3.578 0 50 HHAA CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 804555 ANBQZRBDOARNFG-MRXNPFEDSA-N 413.499 3.942 0 50 HHAA CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@H]1c1cc(C)ccc1C 1060004 PFTNYGXOEAEAID-NRFANRHFSA-N 404.470 3.524 0 50 HHAA aggregator Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CCCC3 1077476 VCXSMKVZKQKHLM-UHFFFAOYSA-N 414.508 3.578 0 50 HHAA C[C@H](NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3)c1ccccc1 1156360 YDJUPSFRHSYOOK-ZDUSSCGKSA-N 413.568 3.843 0 50 HHAA CSc1nnc2c(n1)O[C@@H](c1cccnc1)Nc1ccc(Br)cc1-2 1184881 XXSAISYFPFUDCQ-AWEZNQCLSA-N 402.277 3.921 0 50 HHAA CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(SC)cc2OC)cc1 2833160 BJGYTSYGKCUGDB-UHFFFAOYSA-N 408.545 3.748 0 50 HHAA CCc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1 2874580 XHAZMAMQDPXIHS-DEOSSOPVSA-N 400.522 3.949 0 50 HHAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)CN2CCOc3ccccc3C2)c1C 15069876 MVDOFUPISYQPBM-SFHVURJKSA-N 404.514 3.561 0 50 HHAA CCOC(=O)C1CCN(c2nc(-c3cc(C)cs3)ccc2C(=O)NC2CC2)CC1 20254952 KGMVBSAXLPQVBZ-UHFFFAOYSA-N 413.543 3.790 0 50 HHAA CC[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)C12CC3CC(CC(C3)C1)C2 20607742 AHPNRCUJTWJFJA-LASWRBMDSA-N 400.563 3.663 0 50 HHAA CC(=O)Nc1cccc2nc(CN3CCN(CC4CCCCC4)[C@@H](CCO)C3)ccc12 23374343 PNMDALKBRJJUJF-QFIPXVFZSA-N 424.589 3.642 0 50 HHAA Cc1noc([C@@H]2CCCN(C(=O)NCC3(c4ccccc4Cl)CCOCC3)C2)n1 170621985 LKMCDWFXIVDKEG-MRXNPFEDSA-N 418.925 3.669 0 50 HHAA Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@H]1CCCO1 239038380 DBGUSAKKPSGSBX-QZMQVMSPSA-N 417.509 3.705 0 50 HHAA Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC[C@H]4CCCO4)c3N2)cc1 239274920 AYCMIEKRSQVYSU-HYVNUMGLSA-N 408.424 3.761 0 50 HHAA CC(C)Cn1ccc2cc(NC(=O)C[C@H]3N=C(O)N(Cc4ccccc4)C3=O)ccc21 252550385 SMZIVKZLTXXKRR-HXUWFJFHSA-N 418.497 3.951 0 50 HHAA C[C@@H]1C(=O)Nc2cc(C(=O)N[C@H]3CCCN(c4ccccc4Cl)C3)ccc2N1C 426949162 SJXGXZUZHUVTOT-ZBFHGGJFSA-N 412.921 3.516 0 50 HHAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1506406867 PHDZVBHILXPBIB-YZUZCNPQSA-N 402.498 3.764 0 50 HHAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1506429726 UJSDTICMUFRRAN-FQEVSTJZSA-N 412.453 3.520 0 50 HHAA O=C(O)[C@H]1CN(Cc2ccccc2Cl)CC12CCN(C(=O)C1CCCC1)CC2 1857695908 DPKSCIYLOPXHTO-GOSISDBHSA-N 404.938 3.655 0 50 HHAA CN(Cc1cnc2ccccc2c1)C(=O)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857718123 AARHKGVWGTZXSP-KRWDZBQOSA-N 416.506 3.856 0 50 HHAA O[C@H]1CNCC[C@@H]1n1ccnc1-c1cccc(OCc2c(F)cccc2Cl)c1 1857740925 SZXSIHYRUIUVBA-PMACEKPBSA-N 401.869 3.817 0 50 HHAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@]4(CCc5cnc(C)nc54)C3)cc2)n1 2356162917 TYFVOBYLGLNVFT-DEOSSOPVSA-N 401.514 3.708 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 2356165878 JBXBUOBGGFEWGB-UHFFFAOYSA-N 417.509 3.644 0 50 HHAA CNC(=O)[C@@H]1C[C@H](NCCC2=C(C)CCCC2(C)C)CN1C1Cc2ccccc2C1 23361972 QWTRNCBCBMASQW-URXFXBBRSA-N 409.618 3.849 0 50 HHAA Cc1n[nH]c(C)c1CCNCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 20997383 VLTXMUHRCMSUGV-UHFFFAOYSA-N 415.497 3.940 0 50 HHAA Cc1nc2n(n1)CCN(C(=O)N[C@@H](c1cc(F)ccc1F)c1ccccc1Cl)C2 439330030 VXVSYYHMEWNAGV-LJQANCHMSA-N 417.847 3.833 0 50 HHAA CN1c2ccccc2C(=O)Nc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)nc21 87723473 AGLKBEPKKDHHKY-UHFFFAOYSA-N 416.485 3.515 0 50 HHAA COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3nc(SC)nn32)cc1 247952302 KOLZEXYQKJPCGE-DOPJRALCSA-N 409.515 3.667 0 50 HHAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@H](c2nc(C(C)C)no2)C1 1506418966 VYWFXLAHJYLUPL-CYBMUJFWSA-N 422.532 3.786 0 50 HHAA COC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)cc2C)sc2c1CCCC2 649968 YXFGCOJHECEDGO-UHFFFAOYSA-N 401.410 3.576 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccccc2)cc1 827592 TUBMPQDPZBURMI-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA Cc1ccc2[nH]c(SCC(=O)N[C@H]3CCCN(Cc4ccccc4F)C3)nc2c1 11664598 YNMRAJXILJVQSV-KRWDZBQOSA-N 412.534 3.883 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(Cc2cn(CC)nc2C)C1 11879387 KFAFOGSDCSNULQ-QFIPXVFZSA-N 405.489 3.878 0 50 HHAA O=C(NCc1ccncn1)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 12299756 PFRWBKUORXSLAS-UHFFFAOYSA-N 403.389 3.802 0 50 HHAA COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(C(C)C)CC2 14747620 KPLOSHKRBFTNAT-UHFFFAOYSA-N 423.557 3.884 0 50 HHAA COc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18228591 DMRCQKATQIAHDF-ZLNRFVROSA-N 414.461 3.742 0 50 HHAA COc1ccc(OC)c(NC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)cc2=O)c1 169752799 JFQPPRAKPKGABK-UHFFFAOYSA-N 413.861 3.528 0 50 HHAA COc1ccccc1-c1csc(NC(=O)C2CCN(C(=O)c3ccncc3)CC2)n1 1857527004 FJIKOARXUBTGAY-UHFFFAOYSA-N 422.510 3.705 0 50 HHAA Cc1ccc(C)c(OCC(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)c1C 1857696948 GGJNCFIBPHPEPH-WOJBJXKFSA-N 403.563 3.938 0 50 HHAA O=C(C1CCOCC1)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857706125 ARLTVEWESTYPHQ-QHCPKHFHSA-N 414.590 3.902 0 50 HHAA C[C@](N)(C(=O)N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(C(F)(F)F)cc1 2325828587 LSHAIFGGUMYFGZ-OXJNMPFZSA-N 409.427 3.804 0 50 HHAA Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1C 1180944 IHAGDIPGQIAWBG-UHFFFAOYSA-N 409.349 3.577 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc4[nH]ccc4c3)CC1)OCC2 2356142857 KTPFKKMJZIRAOG-UHFFFAOYSA-N 406.482 3.889 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccn1 2409162 AGHOSDCWCXLKIF-UHFFFAOYSA-N 403.895 3.753 0 50 HHAA CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 225541904 RWWFKODTMPIGMD-UHFFFAOYSA-N 402.560 3.715 0 50 HHAA COc1cccc(-c2nc(CN(C)C[C@@H]3COc4ccccc4O3)c(C)o2)c1OC 55342577 SDMGBNZBONYADI-MRXNPFEDSA-N 410.470 3.939 0 50 HHAA Cc1ccc(C(=O)[C@H](C)Oc2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1 100921316 PJXPUPWAJMKDTG-NIDCRGGTSA-N 401.462 3.957 0 50 HHAA CCOc1ccc(CN2CCN(C/C=C/c3ccccc3OC)C[C@H]2CCO)cc1 105268638 LNDUVYGXYZIAIR-AVAOGFIGSA-N 410.558 3.676 0 50 HHAA O=C(NCc1nc(-c2ccccc2)no1)C1CCN(Cc2ccc(Cl)cc2)CC1 67613297 WZAMPHQZOAAKBE-UHFFFAOYSA-N 410.905 3.918 0 50 HHAA CC(C)N1CCC(C(=O)N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3)C2)CC1 12028339 GEKADXBBAJOYNK-DEOSSOPVSA-N 419.560 3.900 0 50 HHAA Cc1cc(C(=O)N(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)nc(C)n1 76835790 AYOILRGAYZFJKM-UHFFFAOYSA-N 400.954 3.774 0 50 HHAA Cc1cc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)nn1C 6787292 AXTNDRXHQIQOBC-UHFFFAOYSA-N 400.438 3.967 0 50 HHAA Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(C(=O)CCC1CCCCC1)C2 14533582 HCFGSVJSXOBDMA-UHFFFAOYSA-N 408.546 3.595 0 50 HHAA O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)Nc1ccccc1 17082027 KRAIOZVLXBRJTI-OAHLLOKOSA-N 400.529 3.916 0 50 HHAA O=C(CCN1CCOCC1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F 19953189 YMGSNVICALCPPX-XMMPIXPASA-N 407.489 3.503 0 50 HHAA CC(C)c1nnc(N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)s1 95509948 JYFYKXJTVLERBF-KRWDZBQOSA-N 401.580 3.754 0 50 HHAA CCc1cc2c(-c3ccccc3)cc(=O)oc2c(C(=O)c2cnn(C)c2N)c1OC 823508204 CACTVVABTQCNMC-UHFFFAOYSA-N 403.438 3.578 0 50 HHAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 952872139 KTKIQJAMWNSDIA-OAHLLOKOSA-N 422.872 3.803 0 50 HHAA Cc1ncc(Br)c(C(=O)N2CCC(CCN3CCCC[C@@H]3C)CC2)n1 170608069 ZQBIILDJWGNUSB-AWEZNQCLSA-N 409.372 3.664 0 50 HHAA Nc1ccc2nc(SCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)sc2c1 1114264 ABNUZAAYGWDLQF-UHFFFAOYSA-N 418.975 3.973 0 50 HHAA Cc1ccc2c(c1)CN(CCC(=O)NCC1CCN(C3CCCC3)CC1)C[C@H](C)O2 11788671 KLDQRNZVWFVSJI-FQEVSTJZSA-N 413.606 3.739 0 50 HHAA Cc1c(C(=O)NCc2cc(F)cc(F)c2)sc2ncnc(NC[C@H]3CCCO3)c12 12080309 QIBKUBZTTYJLBD-OAHLLOKOSA-N 418.469 3.799 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C[C@@H]2COCCO2)c(F)c1 12092487 GXGCRHVTYQJWIX-HXUWFJFHSA-N 411.477 3.534 0 50 HHAA COc1ccc(-c2nc(CN3CCC[C@@H](CN4CCCC4=O)C3)c(C)o2)c(OC)c1 12588176 HGZSBEBWQAVVOI-QGZVFWFLSA-N 413.518 3.502 0 50 HHAA COC(=O)c1ccc(N2C[C@H](C(=O)OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1 2886241 CGYZEOLOKVRUAH-CQSZACIVSA-N 422.264 3.876 0 50 HHAA c1cc(C2CCCCC2)ccc1-c1cnnc(N2CCC(N3CCOCC3)CC2)n1 19226096 DPTLCLVRQJTOPR-UHFFFAOYSA-N 407.562 3.887 0 50 HHAA CC[C@](O)(CNC(=O)N[C@@H]1CCc2c(O)cccc21)c1ccc(Br)cc1 1875261838 KRHYDDANGIBFEZ-XLIONFOSSA-N 419.319 3.739 0 50 HHAA CCCOc1ccc(S(=O)(=O)NC(=O)c2cc3c(N(C)C)cccc3s2)cc1 1875343483 KTYDRLGRKFMWGU-UHFFFAOYSA-N 418.540 3.875 0 50 HHAA Cc1cccc(N(CCOC(=O)c2ccccc2)C2=NS(=O)(=O)c3ccccc32)c1 848942 ZPCJKKRQVCAKDU-UHFFFAOYSA-N 420.490 3.808 0 50 HHAA Cc1[nH]c2ccc(Br)cc2c1CCNS(=O)(=O)c1ccc(F)cc1 1072144 OBCRBOZCCBEZFY-UHFFFAOYSA-N 411.296 3.899 0 50 HHAA CC(C)(C)c1ccc(OC[C@H](O)CNC(=O)c2ccc(Br)cc2)cc1 1128947 MTEYRMVNZOKHBM-QGZVFWFLSA-N 406.320 3.916 0 50 HHAA CCCCNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)/C=C/c1ccc(OC)cc1 2812622 GMJGRYULWBTQDW-XIKJQCFVSA-N 408.498 3.791 0 50 HHAA Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C(=O)O)(c5ccccc54)[C@@H]3C2=O)cc1 3635179 LDDJBMPSZLFYJZ-UBFBPUDLSA-N 409.441 3.630 0 50 HHAA CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CNCc1ccco1 4643869 URMFBFOEKWRZSY-UHFFFAOYSA-N 414.483 3.922 0 50 HHAA CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCCCC1 5317318 UGZPQLMDOBTRTE-OXQOHEQNSA-N 411.502 3.689 0 50 HHAA O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 11753677 ZSCILSLDDOSZHL-MRXNPFEDSA-N 424.394 3.779 0 50 HHAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCC(c3ccccc3)CC2)c1=O 12455625 QTOCPUQCBNTTND-UHFFFAOYSA-N 421.541 3.733 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc[n+]([O-])c4)C3)c2)c1 14950176 WSTYJOZUCWDIDL-OAQYLSRUSA-N 415.493 3.786 0 50 HHAA CC[C@H](C)Sc1nnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 16648596 QBDDTXOVHBVGKO-NSHDSACASA-N 410.590 3.981 0 50 HHAA C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 17089990 QQVDVGFWZJLTHU-CQSZACIVSA-N 414.527 3.996 0 50 HHAA CCC(=O)Nc1ccc(N2CCN(Cc3nc4ccccc4n3C)CC2)c(Cl)c1 20572749 IVROHGGBNHTBOS-UHFFFAOYSA-N 411.937 3.897 0 50 HHAA CN(Cc1ccon1)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 23214213 KBLJUDDUHMSSAG-UHFFFAOYSA-N 400.866 3.772 0 50 HHAA CNC(=O)[C@@H]1C[C@H](NCc2ccc3ccccc3c2)CN1Cc1cccc(Cl)c1 32534830 JXYQAFZWLFJJCG-GOTSBHOMSA-N 407.945 3.972 0 50 HHAA CCCN(CCC)[C@@H]1CCCC[C@H]1NC(=S)N[C@H](C(=O)NC(C)C)C(C)(C)C 43763938 XULQYZJFCNMXTM-GUDVDZBRSA-N 412.688 3.823 0 50 HHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C2CSCCSC2)C1 55369455 ZXYPIVSTGHBANN-NRFANRHFSA-N 409.617 3.949 0 50 HHAA CN(CC1CCCCC1)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82098560 QZTVEWUAXHQNGO-HSZRJFAPSA-N 412.622 3.797 0 50 HHAA O=C(CS[C@H]1CC(=O)N(c2ccccc2F)C1=O)Nc1ccc2ccccc2c1 84605919 KRJIWJQCGXFPKX-IBGZPJMESA-N 408.454 3.983 0 50 HHAA Cc1ccc(C(=O)NC2CCN(CC(F)F)CC2)cc1NC(=O)c1ccccc1 148527661 IGHWZHCGASINFN-UHFFFAOYSA-N 401.457 3.707 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cc5ccccc5[nH]4)C3)[nH]n2)cc1 169753877 SXLBIYVYVSPHRV-GOSISDBHSA-N 415.497 3.965 0 50 HHAA C[Si](C)(C)CCOCn1nnc(C2CCN(C(=O)OCc3ccccc3)CC2)n1 170009691 WMQBGVLUFQVFFL-UHFFFAOYSA-N 417.586 3.502 0 50 HHAA in-vitro O=C(c1ccc2ncccc2c1)N1CCC(O)(c2scnc2Br)CC1 225489359 CUJNNKSBOPACMU-UHFFFAOYSA-N 418.316 3.578 0 50 HHAA C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229513304 UBBLNTPAHYDRAH-MFMILTCTSA-N 400.906 3.742 0 50 HHAA COc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)N(c4ccccc4)O[C@H]3C2=O)c1 229985079 WTVQUSKAZVHUDT-BHDDXSALSA-N 418.424 3.885 0 50 HHAA CCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c(C)cc1C 231429549 ONLZGYUQPTUSJF-UHFFFAOYSA-N 402.560 3.830 0 50 HHAA Cc1ccc(-c2cc3c(=O)n(C[C@H](O)c4cccc(Br)c4)ccn3n2)cc1 263615343 BWKYNXYIHJLMTA-FQEVSTJZSA-N 424.298 3.968 0 50 HHAA Cc1cc(N2CCC(NC(=O)N[C@H](C)c3ccc(Br)s3)CC2)n[nH]1 443174574 TUTALTUTUIGYQT-LLVKDONJSA-N 412.357 3.571 0 50 HHAA CN(Cc1cccc2ncccc12)C(=O)c1cc2cc(C3(O)CCNCC3)ccc2o1 823635015 FDYHKDIGXYAVTN-UHFFFAOYSA-N 415.493 3.824 0 50 HHAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)CCc2ccc(-c3cccs3)o2)N1 1506426308 FYSKQUYVRWWFIX-KRWDZBQOSA-N 409.511 3.643 0 50 HHAA CCCN=c1[nH]c(-c2ccccc2)nc2c1CCC21CCN(Cc2nccn2C)CC1 1857687796 FMWSHCHQCATTBD-UHFFFAOYSA-N 416.573 3.601 0 50 HHAA CC(C)c1cccc(N2C[C@@H](C(=O)NCc3ccc(-n4ccnc4)cc3)CC2=O)c1 1875255049 JKQMLUOGOAUMLL-FQEVSTJZSA-N 402.498 3.665 0 50 HHAA CNC(=O)[C@@H](CC(C)C)NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 1875261014 FUYFRRKGMHDYGH-QGZVFWFLSA-N 405.445 3.717 0 50 HHAA COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccc(C)c(Cl)c4)CC3)cc2c1 718941 SMAQUKFZQCXUON-UHFFFAOYSA-N 412.873 3.726 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(C)=O)c2)c1 797250 TXAIAPCDTNRNEZ-UHFFFAOYSA-N 408.907 3.825 0 50 HHAA COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)c(OC)c1 862582 QNGIVWCHXKNYRJ-SFHVURJKSA-N 417.918 3.789 0 50 HHAA CCCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OCC 2502889 IGLWYENOVKGELZ-IBGZPJMESA-N 418.515 3.697 0 50 HHAA CCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl 5261153 APJPJEDMAZLVIR-ZDUSSCGKSA-N 412.770 3.984 0 50 HHAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CN(C)Cc2ccncc2)cc1C 11667803 DXPPOKPVHLWFJP-QFIPXVFZSA-N 403.530 3.510 0 50 HHAA COCc1cc(CN2CCC[C@H](Nc3ccc(OC)c(OC)c3)C2)ccc1OC 11821398 UFIZDZNDIBTEHT-FQEVSTJZSA-N 400.519 3.935 0 50 HHAA C[C@H](NC(=O)CCN1Cc2ccccc2O[C@H](C)C1)c1cnn(-c2ccccc2)c1 12028129 LEVBHEHWBXAUTO-MOPGFXCFSA-N 404.514 3.723 0 50 HHAA Cc1cc(OCc2cc(C(=O)N(C)CCc3cnn(C)c3)no2)cc(C)c1Cl 12031242 BIAJLXXEGBCVNS-UHFFFAOYSA-N 402.882 3.572 0 50 HHAA O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12429344 QZOMLJMDFNQETF-INIZCTEOSA-N 424.394 3.779 0 50 HHAA Cc1nc([C@@H](C)NC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cs1 12702150 FTKPJBHOEQRPOF-CQSZACIVSA-N 413.543 3.722 0 50 HHAA Cc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 13692111 MEZPTLDRZHCQTJ-UHFFFAOYSA-N 416.437 3.918 0 50 HHAA CC[C@@H](Sc1nnc(CC(=O)Nc2ccccc2C)n1CC)C(=O)NC(C)(C)C 13956510 KLLLZYAVJRBNQP-MRXNPFEDSA-N 417.579 3.573 0 50 HHAA COc1ccc(OC)c(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c1 20109981 KYLZADTZPJMZPS-FQEVSTJZSA-N 413.537 3.630 0 50 HHAA CCCCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(OC)c(OC)c3)nc12 22108354 IBZTTYBXELSVAO-UHFFFAOYSA-N 422.407 3.962 0 50 HHAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)/C(F)=C/c3ccccc3)C2)CC1 55211115 JGGJMODYEXYZLH-QUPCICMCSA-N 423.532 3.819 0 50 HHAA O=C(N[C@@H](C(=O)O)c1ccccc1)c1nc(-c2cccs2)n(-c2ccccc2)n1 238039086 LNLGKBSVUUYFPT-QGZVFWFLSA-N 404.451 3.552 0 50 HHAA O=C1CC[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)[C@H]2C1 238789995 MKGBTBHADOYGDF-XDCJIHQESA-N 405.450 3.690 0 50 HHAA C[C@H](OC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)C(=O)c1ccccc1 239174402 PYKLEAOUFHGXMI-ACLGETGGSA-N 417.461 3.650 0 50 HHAA COCc1c(C(=O)NCCc2nc(-c3ccncc3)cs2)cnn1-c1ccccc1 467117195 PAAVTJKWOOZQFW-UHFFFAOYSA-N 419.510 3.510 0 50 HHAA CC(C)Cc1noc([C@@H]2CCCN(S(=O)(=O)c3cc(-c4ccno4)cs3)C2)n1 821483435 ZOSMKTMSXWEMHH-CYBMUJFWSA-N 422.532 3.553 0 50 HHAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1 952972261 VEHPQCLHELZZJX-CQSZACIVSA-N 408.433 3.962 0 50 HHAA Cc1nc(O)nc(O)c1CC(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 1446982803 AEZRVXBNNHQWOA-HOCLYGCPSA-N 409.408 3.552 0 50 HHAA Cc1ccc(N2CCC(NCC3(N4CCN(C)CC4)CCCC3)CC2)cc1Cl 1506421455 IASINOAUUWTDOW-UHFFFAOYSA-N 405.030 3.767 0 50 HHAA CCO[C@@H]1C[C@H](NC(=O)c2ccc(NC[C@@H]3Cc4ccccc43)nc2)C12CCOCC2 1875325429 NJGBSQOQNXNOED-ILWGZMRPSA-N 421.541 3.537 0 50 HHAA O=S(=O)(CC1C2CC3CC(C2)CC1C3)NCCc1nc2ccc(Cl)cc2[nH]1 1875352676 PDBFCBIYGSFZOM-UHFFFAOYSA-N 407.967 3.751 0 50 HHAA O=C(C[C@@H](C(=O)O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 627024 RIQZZIITKFLZNA-SFHVURJKSA-N 407.297 3.842 0 50 HHAA CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccco2)cc1 853237 GJVMOZRHNHVOFY-UHFFFAOYSA-N 418.902 3.829 0 50 HHAA C[C@H](NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)C(=O)NC(C)(C)C 466123914 YNEMSDNZLMCILO-ZDUSSCGKSA-N 405.445 3.860 0 50 HHAA CC(C)n1cc(-c2cc(C(=O)N3CCCN4CCC[C@H]4C3)c3ccccc3n2)cn1 63870723 LHBGXBSVHLOJOT-IBGZPJMESA-N 403.530 3.990 0 50 HHAA CS(=O)(=O)Nc1cccc([C@@H]2O[C@@H]3CCCC[C@H]3c3cc4c(cc32)OCO4)c1 245326453 KGJGYOSDBALCHF-KLHJMIIUSA-N 401.484 3.933 0 50 HHAA CSc1ccc(C[C@@]2(CCC(=O)N3CCc4ccccc4C3)CCC(=O)N2)cc1 299782809 UCPPIVGFWHHVLR-DEOSSOPVSA-N 408.567 3.965 0 50 HHAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1noc(-c3cccs3)n1)O2 670460089 SXROYYNRDQBTNW-NRFANRHFSA-N 413.499 3.829 0 50 HHAA O=C(NCCCSCc1ccc(Cl)cc1)c1cccc(N2CCNC2=O)c1 670444003 XVDTXLATCMRXEN-UHFFFAOYSA-N 403.935 3.923 0 50 HHAA O=C(c1ccncc1)N1CCC(Nc2nn3cc(-c4ccccc4)nc3s2)CC1 746089913 BWXPRMMOUXLDSE-UHFFFAOYSA-N 404.499 3.570 0 50 HHAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCc1csc(-c4cccnc4)n1)(C3)C2 1506426764 SZMCELPHECKANT-OVSDDOEQSA-N 411.571 3.975 0 50 HHAA C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1065499 ZXDAGHLGGWOZHU-SNVBAGLBSA-N 406.813 3.664 0 50 HHAA Cc1c(Br)ccc(NC(=O)CSc2nnnn2-c2ccccc2)c1C 1109003 GGXJYJHWTXRXQZ-UHFFFAOYSA-N 418.320 3.772 0 50 HHAA COc1cccc(NC(=O)CSc2nnc(CSCc3ccccc3)n2C)c1 1108848 PFFFIWXVVKRGQL-UHFFFAOYSA-N 414.556 3.988 0 50 HHAA CCCn1nc(C23CC4CC(CC(C4)C2)C3)nc1[C@H]1CCCN(CC(=O)O)CC1 1772710532 SFUGOLITYCWVLD-HJGBXLFDSA-N 400.567 3.810 0 50 HHAA O=C(CCC1CCN(C(=O)[C@H]2CC=CCC2)CC1)N1CCN(c2ccccc2)CC1 12319451 TTZVCASQHQNBOO-QFIPXVFZSA-N 409.574 3.710 0 50 HHAA Cc1cnc(C(=O)N(CC2CCN(Cc3ccccc3C)CC2)C[C@H]2CCCO2)cn1 12475769 VOKSEMVMTXWRFM-HSZRJFAPSA-N 422.573 3.627 0 50 HHAA CN1N=C(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CCC1=O 12711247 PPIPAWRPRKPIDG-GOSISDBHSA-N 419.481 3.508 0 50 HHAA Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c3c(sc2n1)CCCC3 2848588 KNWVPAMBLJCVNQ-UHFFFAOYSA-N 422.554 3.929 0 50 HHAA CC1(C)[C@H](NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CS1(=O)=O 1857530908 VSXDUGWREIYJLE-OAHLLOKOSA-N 413.923 3.936 0 50 HHAA O=C(c1ccncc1)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857689069 BVOLWVSTHWJNJO-JOCHJYFZSA-N 421.541 3.710 0 50 HHAA COc1ccc(C(=O)NCCc2nc(C)cs2)cc1Oc1cc(F)cc(CN)c1 1857689408 PFXSOVIQHUGXGU-UHFFFAOYSA-N 415.490 3.823 0 50 HHAA COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)c1 1188211 QOGFUTGBTXVBMU-GOSISDBHSA-N 417.918 3.789 0 50 HHAA C[C@@]1(c2cccs2)C[C@H]1CNC(=O)NCc1cc2c(cc1OC(F)F)OCO2 2325737788 WYUXOHGICPVFTJ-HXPMCKFVSA-N 410.442 3.855 0 50 HHAA COC(=O)c1c(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)sc2c1CCC2 631267 IUGTZPWDHWHPDA-IBGZPJMESA-N 424.478 3.667 0 50 HHAA NC(=O)c1c(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)sc2c1CCCC2 814896 KMBDDAOVSFWXSK-ZDUSSCGKSA-N 421.881 3.650 0 50 HHAA CC(C)(COC(=O)c1cccc2ccccc12)NC1=NS(=O)(=O)c2ccccc21 1022710 PHXDXDVJVWOFCD-UHFFFAOYSA-N 408.479 3.514 0 50 HHAA Cc1ccc(S(=O)(=O)Oc2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 1596311 TUQJPGPHFOXOIA-UHFFFAOYSA-N 418.492 3.839 0 50 HHAA Cc1ccc(Cl)cc1N(CC(=O)NCCSC1CCCCC1)S(C)(=O)=O 2812631 WWZGMMOQFLMXJQ-UHFFFAOYSA-N 419.012 3.597 0 50 HHAA CCOC(=O)c1cc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)ccc1Cl 2855395 OMXISUQEMIWQIN-UHFFFAOYSA-N 423.252 3.534 0 50 HHAA COc1cc(Br)c(CN2CCN(c3ccccc3OC)CC2)cc1OC 4980256 DGLPDHCHSUSNJF-UHFFFAOYSA-N 421.335 3.797 0 50 HHAA O=C(Nc1nc2ccc(Br)cc2s1)c1c(O)[nH]c2ccccc2c1=O 8974467 HWVFLAKVWMMGCK-UHFFFAOYSA-N 416.256 3.858 0 50 HHAA CC(C)Cn1cc(C(=O)N[C@@H](C)c2cccs2)c(=O)c(C(=O)N2CCCCC2)c1 11911454 PEOKRIFUSFZDNW-INIZCTEOSA-N 415.559 3.683 0 50 HHAA Cc1c(C(=O)NCc2ccc(F)cc2)sc2ncnc(NC[C@H]3CCCO3)c12 12123824 JYOHVXSBRJTKJX-OAHLLOKOSA-N 400.479 3.660 0 50 HHAA CCc1c(C(=O)N(C)Cc2csc(C)n2)c(=O)cc(C)n1Cc1cccs1 12155573 NRIGCXNRDILSNZ-UHFFFAOYSA-N 401.557 3.866 0 50 HHAA COc1cccc(CCNC(=O)[C@H]2CC23CCN(Cc2ccccc2OC)CC3)c1 12181623 QVYGLKMBYHQMJZ-JOCHJYFZSA-N 408.542 3.665 0 50 HHAA CN(CC1CCN(Cc2ccccc2)CC1)c1nncc(-c2ccc3c(c2)OCO3)n1 12191933 LJWGCLYOCNLGBH-UHFFFAOYSA-N 417.513 3.616 0 50 HHAA CCN(Cc1ccncc1)C(=O)c1cc(-c2cc(C)cs2)cc(-n2cnnn2)c1 12247976 AHZXTXHSFCNGOY-UHFFFAOYSA-N 404.499 3.757 0 50 HHAA CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(=O)n(C)n2)cc1 13596520 GQCKLEWWPKRFOE-XMMPIXPASA-N 412.493 3.612 0 50 HHAA CCCCc1ccc(S(=O)(=O)N2CCN(Cc3cccc(OC)c3)CC2)cc1 14239737 PJVYBHSEROAUPH-UHFFFAOYSA-N 402.560 3.544 0 50 HHAA O=C(CCCc1ccccc1)NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 14990574 NFIPHPUBYLSERI-HSZRJFAPSA-N 407.558 3.734 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)c2ccccc12 16675825 OSFUKGONKVRCRM-UHFFFAOYSA-N 408.479 3.671 0 50 HHAA COc1cccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 17987378 IMTUFPTYEPFILR-ATZDWAIDSA-N 407.466 3.883 0 50 HHAA CN(C(=O)CCN1Cc2ccccc2C1=O)[C@H]1CCCN(CCCc2ccccc2)C1 23505555 XOBGPSQLSVWLLV-QHCPKHFHSA-N 419.569 3.588 0 50 HHAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C2CSCCSC2)C1 55271576 RHDAHQGRKIMVQA-NRFANRHFSA-N 409.617 3.732 0 50 HHAA CC1=C[C@H](c2ccc(Cl)cc2)n2nc(NS(=O)(=O)c3ccc(C)cc3)nc2N1 100835206 NVSLSCZRXVATGJ-QGZVFWFLSA-N 415.906 3.959 0 50 HHAA CN(C)c1cccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)c1 169780422 WRJGDJPBBPFLDX-GOSISDBHSA-N 422.876 3.986 0 50 HHAA O=C(NCCO)c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1 201735714 DEGDCVFNFAOIPU-UHFFFAOYSA-N 418.375 3.508 0 50 HHAA CC[C@@H]1C[C@]1(NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)c1cccc(C)c1 410181531 RUULIXPROWGMLB-UNWVZKJWSA-N 418.603 3.721 0 50 HHAA O=C(N[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)C1)c1cc2ccccc2o1 476306717 MLQXNBIPEFHEFD-RAQRAWIASA-N 416.521 3.548 0 50 HHAA C[C@H]1C(=O)Nc2ccccc2CN1C(=O)Nc1nnc(Cc2ccccc2F)s1 1215259038 ZZHKMIDGMJSPGF-LBPRGKRZSA-N 411.462 3.643 0 50 HHAA Cc1cccc([C@H]2CCCN(C(=O)c3ccc4c(c3)nc(N3CCOCC3)n4C)C2)c1 1506421705 KXZIIHIQGPLSJD-NRFANRHFSA-N 418.541 3.738 0 50 HHAA Cc1ccc2oc(N3CCC(c4nc(C5CCCC5)nn4C[C@@H](C)O)CC3)nc2n1 1857676308 FHDHQYNTDKEGHJ-OAHLLOKOSA-N 410.522 3.545 0 50 HHAA O=C(NCc1nc(-c2ccco2)n[nH]1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 1875256137 YIQBIRBHTVHZCE-UHFFFAOYSA-N 412.409 3.712 0 50 HHAA O=C(Nc1ccc(F)c(Br)c1)N[C@H](C(=O)O)[C@@H]1CCc2ccccc21 1875323897 WERYDFHVNCVSEO-CJNGLKHVSA-N 407.239 3.893 0 50 HHAA O=C(NS(=O)(=O)Nc1ccccc1)c1ccc2c(ccn2Cc2ccccc2)c1 1875342975 BKLZDMVQJBCJTJ-UHFFFAOYSA-N 405.479 3.776 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cn4cc(Cl)ccc4n3)C2)[C@@H]2CCCC(=O)N12 2356135471 GPNAGMVXKBGXRE-QXGSTGNESA-N 414.937 3.629 0 50 HHAA CCOC(=O)c1ccc(-c2coc3cc(O[C@@H](C)C(=O)OCC)ccc3c2=O)o1 630455 SLXOVRHNEUOARE-LBPRGKRZSA-N 400.383 3.560 0 50 HHAA biogenic Cc1ccc(OC(=O)CCC(=O)Nc2ccc(I)cc2)cc1 672694 VONWQYWOZJDFJN-UHFFFAOYSA-N 409.223 3.924 0 50 HHAA COc1ccc(C(=O)N2N=C(C3CCCCC3)C[C@@]2(O)C(F)(F)F)cc1OC 793131 AAPTZMAIRAYSSA-GOSISDBHSA-N 400.397 3.737 0 50 HHAA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccc(F)cc3)C2)cc1OC 890383 ZGBSFGYLPBIQHZ-GOSISDBHSA-N 414.433 3.776 0 50 HHAA Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)c1 1131624 ZFIFAEAAPLEWLY-UHFFFAOYSA-N 400.479 3.881 0 50 HHAA Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(C)c1 1142476 VRHINIBUNNLKQF-UHFFFAOYSA-N 409.349 3.577 0 50 HHAA CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)sc(C)c1C 2487641 VYDWDSBKBDEKNA-UHFFFAOYSA-N 400.298 3.773 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cccc(OCC)c1OC 2873981 ZYVVLXQMSIUSGK-LJQANCHMSA-N 412.511 3.587 0 50 HHAA CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 4740492 YWUNMXCMZAYDGG-UHFFFAOYSA-N 415.515 3.508 0 50 HHAA COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C)c(Cl)c3)n2)cc1OC 4943702 PQHFYWHYPOLRDE-UHFFFAOYSA-N 401.850 3.988 0 50 HHAA COCC1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC1 11663664 PNGFHBISDXVELS-UHFFFAOYSA-N 423.623 3.506 0 50 HHAA COc1cccc(CNc2ncnc3sc(C(=O)N4CCCC4)c(C)c23)c1OC 11869362 JMTNWTKRXYKAKW-UHFFFAOYSA-N 412.515 3.865 0 50 HHAA COc1cccc2ccc(CN3CCC(CCC(=O)NC[C@H]4CCCO4)CC3)nc12 11952874 OQHYXONBRDCHST-OAQYLSRUSA-N 411.546 3.531 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)CCc2c(C)noc2C)C1 12030451 AXOSGHKJKLYGQU-XMMPIXPASA-N 412.530 3.947 0 50 HHAA CCCCN(Cc1ccccc1)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C)C1=O 12038325 OCPPYAAIBPACNB-XMMPIXPASA-N 410.489 3.671 0 50 HHAA CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cc(OC)c3c(c2)OCO3)CC1 12297644 DCCIUPSZXFNWLE-UHFFFAOYSA-N 411.498 3.812 0 50 HHAA O=C(CCc1nnc(CCc2ccccc2)o1)N[C@@H](c1cccnc1)C(F)(F)F 12387842 WBEUNALDEGKZPV-IBGZPJMESA-N 404.392 3.602 0 50 HHAA COCc1cc(CN2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)ccc1OC 12717759 ASKWYPXFBXZFND-LJQANCHMSA-N 413.514 3.954 0 50 HHAA O=C(c1ccncc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 14961905 CZERPZUJOQJMIG-RUZDIDTESA-N 419.569 3.582 0 50 HHAA Cc1nccn1CCN(C)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 15075891 CDYMRTUIPBUQAS-UHFFFAOYSA-N 408.380 3.550 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)n2)ccc1C 16625407 TVIBQICMEWMIQQ-KRWDZBQOSA-N 418.497 3.994 0 50 HHAA O=C(CSc1nc(O)cc(C(F)(F)F)n1)Nc1ccc(Br)cc1 18115246 BMZQTPIUCITDJP-UHFFFAOYSA-N 408.199 3.694 0 50 HHAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccc(Cl)cc2)cc1Cl 19166760 UULNPHDSVQHYTC-FHWLQOOXSA-N 416.308 3.837 0 50 HHAA O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2[nH]ccc2c1 40266414 HSIVFNTYORPTPY-UHFFFAOYSA-N 410.905 3.889 0 50 HHAA COc1ccc(N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 135716411 NFRIQTUVSBIGGV-VSKRKVRLSA-N 400.434 3.746 0 50 HHAA O=C(CN1CCCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 229981412 HSNVOWSBKITEMX-TZIWHRDSSA-N 406.448 3.994 0 50 HHAA O=C(N[C@@H](CC(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1)c1ccccc1Cl 238070424 RMKKVYUQEMZZSR-LPHOPBHVSA-N 414.889 3.524 0 50 HHAA COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CCC(=O)O)c1 328597109 DOBOCEIVKHABIY-GOSISDBHSA-N 416.861 3.900 0 50 HHAA O=C(Nc1ccc(N2CCCC2)c2ncccc12)c1ccccc1N1CCOCC1 952871741 CZEGBLPNCIABJL-UHFFFAOYSA-N 402.498 3.924 0 50 HHAA COc1cccc2c(C)cc(N3CCC[C@@H](CNC(=O)c4cccc(C)n4)C3)nc12 952973985 ZETBDIXHFLAFKW-SFHVURJKSA-N 404.514 3.902 0 50 HHAA C[C@@H]1C(=O)N2CCC[C@H]2CN1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1772712131 NUMDLVBTYGHPIQ-UZLBHIALSA-N 418.472 3.514 0 50 HHAA Cc1nc(NC(=O)[C@H](C)OC(=O)c2ccc(NC(=O)c3ccccn3)cc2)sc1C 1875255030 QETNHDNYVWUJSM-ZDUSSCGKSA-N 424.482 3.591 0 50 HHAA O=C(/C=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)N[C@H]1CCCNC1=O 2325839054 HMUQSLQBJDHJQS-DNXKIMQPSA-N 419.308 3.980 0 50 HHAA C[C@H](NC(=O)c1ccc2nnc(-c3cccn3C)n2c1)c1nc2c(s1)CCCC2 2356134796 COQZCWVWVQKQAG-ZDUSSCGKSA-N 406.515 3.561 0 50 HHAA Cc1cc([C@@H]2CCCCN2C(=O)c2cc3c(s2)CCOC32CCNCC2)no1 2356159062 KBRXXBUTXQLBOT-KRWDZBQOSA-N 401.532 3.563 0 50 HHAA CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1Br 756522 XUCGZCZQNVZVCP-UHFFFAOYSA-N 417.369 3.542 0 50 HHAA O=C(c1ccccc1F)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 893002 YXWNFOWCQDRNOC-UHFFFAOYSA-N 402.469 3.942 0 50 HHAA COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2c(C)cc(C)cc2C)CC1 1109713 JQDHFNVIJRXGBS-UHFFFAOYSA-N 408.951 3.785 0 50 HHAA OCc1nc2ccccc2n1C[C@H](O)COc1ccc(OCc2ccccc2)cc1 1146328 IXLSJEFQTMMUMP-IBGZPJMESA-N 404.466 3.548 0 50 HHAA CCOC(=O)c1ccc(N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 2389048 MEDCQMBHKJOYTI-HNNXBMFYSA-N 405.665 3.995 0 50 HHAA Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3nccs3)nc2s1 2877055 SCSIOAQLIFGMRV-UHFFFAOYSA-N 418.525 3.595 0 50 HHAA COc1ccccc1C(=O)NC(=S)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 2978986 WVSFGVIZOOVSKY-UHFFFAOYSA-N 417.494 3.864 0 50 HHAA O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1 5049885 RDHJLIIGGAPIEE-BMPBXIOVSA-N 410.857 3.728 0 50 HHAA CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2nonc2C)cc1 11761021 ZZCUACGQIWHHJB-DEOSSOPVSA-N 416.481 3.975 0 50 HHAA Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCC4(CCN(C(=O)CC(C)C)CC4)O3)cc2c1 11973497 AAXAAEBLWDPBFB-IBGZPJMESA-N 411.546 3.792 0 50 HHAA CCOC(=O)N1CCC(N2CCC(c3[nH]ncc3CCc3ccccc3)CC2)CC1 12242397 MZGLCOKEZPCZMB-UHFFFAOYSA-N 410.562 3.995 0 50 HHAA COc1cc(CN(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc2c1OCO2 12464727 OHZFOUOTKYWFIV-SFHVURJKSA-N 414.521 3.950 0 50 HHAA O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@](CO)(CCOc2ccccc2)C1 12712387 LKPQVCCBRNCYMI-DEOSSOPVSA-N 405.498 3.556 0 50 HHAA CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 13324911 CJICZRBHQDGUPD-UHFFFAOYSA-N 407.923 3.928 0 50 HHAA COc1cc(C[C@@]2(CCC(=O)N[C@H](C)c3cccs3)CCC(=O)N2)ccc1F 14886252 CMTHFPQHVFWXNO-SPLOXXLWSA-N 404.507 3.745 0 50 HHAA c1ccc(CN2CCC(N[C@@H]3CCCN(c4nc5ccccc5s4)C3)CC2)nc1 15064772 QGBFKGLNTWLXCX-HXUWFJFHSA-N 407.587 3.914 0 50 HHAA COc1ccc(CNc2ncnc3sc(C(=O)NC[C@H]4CCCO4)c(C)c23)cc1 15071507 MGYMHDCNJQANMY-MRXNPFEDSA-N 412.515 3.529 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1occc1C 15074081 YTVXBHYWPSOCFK-UHFFFAOYSA-N 400.519 3.597 0 50 HHAA CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 19884274 VZYSEAHSYUDUPQ-HZPDHXFCSA-N 416.543 3.948 0 50 HHAA Cc1cc(C)n(-c2ccc(NCCNC(=O)Nc3cccc(C(F)(F)F)c3)nn2)n1 19924171 UDXUVVLENROELS-UHFFFAOYSA-N 419.411 3.532 0 50 HHAA O=C(N[C@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1)c1ccc(F)c(F)c1 169753554 LFVFKGGOMDOHHM-INIZCTEOSA-N 400.404 3.893 0 50 HHAA O=C(c1ccccc1NS(=O)(=O)c1ccc(OCC(F)F)cc1)C(F)(F)F 170617428 KHKGWFYFEGWJIG-UHFFFAOYSA-N 409.332 3.876 0 50 HHAA COc1ccc(-c2noc(CCCC(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)n2)cc1 225619369 YLARIWDLJNEZMJ-AQNXPRMDSA-N 413.518 3.610 0 50 HHAA Cc1csc(CCCNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)n1 241170965 KDEJBRWCAPVMCZ-IAGOWNOFSA-N 411.493 3.811 0 50 HHAA C[C@H](NC(=O)CN1CCn2cccc2[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 242196966 XGNFTRCZUGTSSX-AVRWGWEMSA-N 417.509 3.542 0 50 HHAA Cc1cccc([C@H]2CCCN2C(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1C 253417378 RUOHROXEBSFLDS-UYAOXDASSA-N 402.535 3.993 0 50 HHAA COc1ccc(CNC(=O)NCC2(Cc3nnc4ccccn34)CCCCC2)cc1 409413098 CEFNGHIYEPTPTB-UHFFFAOYSA-N 407.518 3.730 0 50 HHAA CCCS(=O)(=O)N1CCC(NC(=O)Nc2ccccc2CCC(F)(F)F)CC1 465238934 DFTGAPQJUKPXMA-UHFFFAOYSA-N 421.485 3.507 0 50 HHAA Cc1cc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)nc2nc(O)nc(O)c12 468179496 SVFZYTFLZFFNRR-GOSISDBHSA-N 412.449 3.532 0 50 HHAA CCOc1ccccc1-c1nnc(NC(=O)C2(c3ccccc3)CCN(C)CC2)o1 1506420590 KTYNZSSNSDWVCJ-UHFFFAOYSA-N 406.486 3.737 0 50 HHAA COc1cc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)ccc1OCc1ccccc1 1800411419 JPFQWGOLLQLKKF-HXUWFJFHSA-N 411.498 3.587 0 50 HHAA O=C(CN(Cc1ccco1)c1cccc(Cl)c1)N[C@@H](C(=O)O)c1ccsc1 2325814932 JAUCHWIONREVRP-GOSISDBHSA-N 404.875 3.943 0 50 HHAA Cc1cc(=O)oc2cc(OC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)C)ccc12 1227661 PLNCKJSPRXFUPA-OAQYLSRUSA-N 409.438 3.958 0 50 HHAA biogenic CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(Br)cc3)N2C1=O 2454963 PIZRPDPHLKSFFY-JSGCOSHPSA-N 409.305 3.661 0 50 HHAA COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccc(OC)cc2)c1C 669002 MWFSOWFUCOKVEV-UHFFFAOYSA-N 414.439 3.949 0 50 HHAA Cc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)cc1 65363156 SANQDCPSUQVTLG-GOSISDBHSA-N 402.502 3.744 0 50 HHAA COc1cc(-c2nc(CN3CCCC[C@@H]3CCN3CCOCC3)c(C)o2)ccc1F 20452189 FCPCYMRLYAZMKP-LJQANCHMSA-N 417.525 3.875 0 50 HHAA O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCC(Oc2ccccc2F)CC1 11815985 PWIFNXNNACHOQZ-OAQYLSRUSA-N 400.425 3.722 0 50 HHAA Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4ccccc4OC(F)F)nc3c12 2793337 KIAUHSUGYAFYEH-UHFFFAOYSA-N 403.414 3.618 0 50 HHAA COc1ccccc1N1CC[C@H](C)N(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1 252586758 SGRLJARPOLPRDR-SXLOBPIMSA-N 422.525 3.697 0 50 HHAA CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(OC)cc1 6711103 YXNODRBEQOSDBU-UHFFFAOYSA-N 416.478 3.756 0 50 HHAA Cc1ccccc1CCN1CCC(CN(C(=O)CCn2cncn2)C2CCCC2)CC1 14960998 KHFLHGMMRAASKJ-UHFFFAOYSA-N 423.605 3.703 0 50 HHAA O=C(c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)N1CCC[C@H]1c1nccs1 91440318 KRAOQVATPXVMQU-LEJIWSMMSA-N 410.543 3.672 0 50 HHAA COC(=O)c1ccccc1NC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 253369347 BHLCSNOXDNLSFX-HXHBTQRASA-N 409.530 3.900 0 50 HHAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ccccc1OC(F)(F)C(F)F 952981445 ZDKCDVWAYUJIBC-ZDUSSCGKSA-N 416.415 3.786 0 50 HHAA COc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3N(C)C)CC2)c1 952871652 AFRXUJLVGATUJU-UHFFFAOYSA-N 415.921 3.906 0 50 HHAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)c2ccc(COc3ccccc3)cc2)N1 1506420810 AWLDOMLFEQWATO-QFIPXVFZSA-N 415.493 3.582 0 50 HHAA Cc1nc(C(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cs1 12091000 UAFWEDBROGDBNE-UHFFFAOYSA-N 413.478 3.517 0 50 HHAA O=C(c1nc2ccccn2c1CNCCCn1ccc2ccccc21)N1CCCC1 12433712 NFPUGDKUWIRICU-UHFFFAOYSA-N 401.514 3.705 0 50 HHAA O=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ncccc2C(F)(F)F)CC1 13612035 JFRYYGVYCWYIDQ-UHFFFAOYSA-N 419.329 3.868 0 50 HHAA in-vivo Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CCC(=O)N(C4CCCC4)C3)c2)n1 15076873 BHGPWOUUPPVCGT-HXUWFJFHSA-N 408.546 3.629 0 50 HHAA CC(C)c1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)c(Br)c1 18220286 LPDABNNEEHCTGA-UHFFFAOYSA-N 418.335 3.695 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)Cc4cccc(C)c4)C3)[nH]n2)cc1 169753688 UZNUFFJNTIVICV-FQEVSTJZSA-N 404.514 3.721 0 50 HHAA CCOc1ccc([C@H]2Cn3nnc(-c4nc(-c5cccc(F)c5)no4)c3CO2)cc1 169758410 OHPYZPWZTGFAFP-GOSISDBHSA-N 407.405 3.804 0 50 HHAA Clc1ccccc1[C@@H]1Cn2nnc(-c3noc(-c4cc(C5CC5)n[nH]4)n3)c2CO1 169769446 MCMKBRBJONJWLN-INIZCTEOSA-N 409.837 3.521 0 50 HHAA CCCCOc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 5590983 KOEYERZSOSUMRL-ZDUSSCGKSA-N 410.923 3.657 0 50 HHAA CO[C@@H]1CC[C@H](C(=O)NC(C)C)C[C@H]1NC(=O)Nc1cccc(Cl)c1Cl 1857690335 HJHNZLBYYRKZIP-NILFDRSVSA-N 402.322 3.823 0 50 HHAA O=C(c1ccccc1C(F)(F)F)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857694363 NBJNOQPFMLUCOD-FQEVSTJZSA-N 404.388 3.595 0 50 HHAA O=C1C[C@H]2N(Cc3cccc(C(F)(F)F)c3)CC[C@]23O[C@@H](c2ccccc2)CN13 1857714946 UIYWKSWJYKTZFN-SBHAEUEKSA-N 402.416 3.980 0 50 HHAA COc1ccc(CN2CC[C@H](Nc3ncc(C)c(-c4ccccc4F)n3)C2=O)cc1 2325703735 UWXFWCBLGNIDTC-FQEVSTJZSA-N 406.461 3.813 0 50 HHAA C[C@](N)(C(=O)N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(C(F)(F)F)cc1 2325828588 LSHAIFGGUMYFGZ-OXQOHEQNSA-N 409.427 3.804 0 50 HHAA COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C)CC3 995602 OGRYFVQYYPBQGG-LBPRGKRZSA-N 400.525 3.837 0 50 HHAA CCn1cc(-c2nnc(S)n2-c2cnn(Cc3ccc(Cl)cc3Cl)c2)cn1 2808786 WSYLFYXXGACNAJ-UHFFFAOYSA-N 420.329 3.991 0 50 HHAA COC(=O)c1ccccc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 2873653 BANIJVQTDOAQTB-OAHLLOKOSA-N 424.400 3.934 0 50 HHAA Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1Cl 6209980 GPXQBPSPYLHNMB-UHFFFAOYSA-N 415.902 3.774 0 50 HHAA Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3c(F)c(F)cc(F)c3F)n2)cc1 6767210 DCVQWVFSZODGPW-NSHDSACASA-N 405.351 3.975 0 50 HHAA Cc1cccc2c(N3CCCC3)nc(CNC(=O)c3ccccc3-c3ncc[nH]3)nc12 11789389 OQNNQHTZKHLISC-UHFFFAOYSA-N 412.497 3.859 0 50 HHAA COCCN1CCC(CN(Cc2ccncc2)Cc2ccc(F)c(OC)c2)CC1 11820669 BKZZDJIZCPDEGY-UHFFFAOYSA-N 401.526 3.590 0 50 HHAA COCC(=O)Nc1cc(C(=O)N(C)CC(C)C)c2c(c1)ncn2CCc1ccccc1 11969662 QMDCMCWDXBOMMP-UHFFFAOYSA-N 422.529 3.592 0 50 HHAA O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)/C=C/c1ccc(F)cc1)CC2 12040255 ZRJXLONJGSYISO-PABBZOGXSA-N 421.516 3.612 0 50 HHAA Cn1ccnc1[C@H]1CCCCN1C(=O)c1cn(Cc2cccc3ccccc23)nn1 12306418 MXSBOFOWMPQXFN-OAQYLSRUSA-N 400.486 3.581 0 50 HHAA O=C(CCc1ccccc1)NC[C@@H]1CCCN(Cc2cc(F)ccc2-n2cccn2)C1 12577907 HVQDQGOLDTVFMF-NRFANRHFSA-N 420.532 3.972 0 50 HHAA COc1cccc(CN2CCC[C@]3(CCN(CCc4ccccc4)C3)C2=O)c1OC 20321792 BUBHLRLSKLWNFF-RUZDIDTESA-N 408.542 3.761 0 50 HHAA COC1CCN(C(=O)CCN2Cc3ccccc3O[C@H](c3ccccc3F)C2)CC1 23478791 PCBYTRKNEVESEP-QHCPKHFHSA-N 412.505 3.789 0 50 HHAA CCS(=O)(=O)c1ncc(CN2CCCC[C@H]2c2cccnc2)n1Cc1ccccc1 55165920 NEVHUQYEKBUTJV-QFIPXVFZSA-N 424.570 3.847 0 50 HHAA CCOc1cccc(N2CCN(CCNC(=S)Nc3ccc(C)cc3)CC2)c1C 55549813 FGIKRSFGBIGBAC-UHFFFAOYSA-N 412.603 3.811 0 50 HHAA c1ccc(OCCN2CCN(c3nncc(-c4ccc5ccccc5c4)n3)CC2)cc1 59807837 HEHGULMONQFLPZ-UHFFFAOYSA-N 411.509 3.893 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4CC=C(C)C[C@H]4C3=O)cc2)c1 100694636 KNVNFLGDHMPQIF-RBUKOAKNSA-N 420.465 3.802 0 50 HHAA COc1ccc(-c2csc3nc(-c4cnc(OCC(F)F)cn4)[nH]c(=O)c23)cc1 170616537 FGCBSPZEBLWDGQ-UHFFFAOYSA-N 416.409 3.761 0 50 HHAA O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@H](C(=O)O)[C@H]1CCCOC1 432108540 PSMPCTVKPDKWLC-HJPURHCSSA-N 424.472 3.903 0 50 HHAA O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 491919964 HTRRWWYGRKAUSQ-QGZVFWFLSA-N 413.399 3.993 0 50 HHAA Cc1ccc(C(=O)N2CCC(C(=O)NCC[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 827758103 KBJNMGKAEJZWOH-NZQKXSOJSA-N 411.590 3.618 0 50 HHAA CN1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCC(C(C)(C)C)CC2)CC1 888105482 CNVLHQASTRPACP-UHFFFAOYSA-N 411.590 3.782 0 50 HHAA CCn1cnc(CNC(=O)C[C@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)c1 1857705964 CTUUCHLXWRQBBA-CQSZACIVSA-N 401.898 3.621 0 50 HHAA Cc1noc(C)c1-c1cs/c(=N\c2ccsc2)n1[C@H](C)CN1CCN(C)CC1 1875262536 IKCHMQOZEOVHQO-JTKIUVGSSA-N 417.604 3.924 0 50 HHAA CCOc1ccc(C2=CCN(c3nnnn3CCc3ccc(C)c(OC)c3)CC2)cc1 1875323092 WQSQYWJAEMGHRU-UHFFFAOYSA-N 419.529 3.925 0 50 HHAA COc1cc2[nH]c(=NCC[C@H](c3ccccc3)C(F)(F)F)[nH]c(=N)c2cc1OC 2325824969 XMQUNJDWKNLSHR-CQSZACIVSA-N 406.408 3.630 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cccc4cccnc34)CC1)OCC2 2356151913 GNSRDYHXVPQHSD-UHFFFAOYSA-N 418.493 3.956 0 50 HHAA Cn1nnnc1SCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 624871 SENUAKQSNZVLEG-UHFFFAOYSA-N 404.293 3.517 0 50 HHAA Cc1cc(OCC(=O)Nc2ccccc2C(N)=O)c(C(C)C)cc1Br 674704 GIFBVDHYUVICMC-UHFFFAOYSA-N 405.292 3.997 0 50 HHAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC2CCCCC2)cc(Cl)c1O 715149 YHUDASAAQOFISO-QGZVFWFLSA-N 408.882 3.806 0 50 HHAA O=C(NC(=S)Nc1ccc(I)cc1)c1ccccc1F 1063150 JYIBZLXEPXOTFU-UHFFFAOYSA-N 400.216 3.557 0 50 HHAA CCCN1C=C(C(=O)OC)C(c2ccc(C)c(Br)c2)C(C(=O)OC)=C1 1074332 ANCNOXYTJLDDIF-UHFFFAOYSA-N 408.292 3.681 0 50 HHAA COc1cc(C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)cc(OC)c1OC 1135768 HLYOWIITGOKCCJ-UHFFFAOYSA-N 410.422 3.835 0 50 HHAA biogenic CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)CC)c2ccc(C)cc2)cc1 2072311 RMAVOYAEYXOWOW-QGZVFWFLSA-N 404.532 3.504 0 50 HHAA COc1ccc(-n2ncc3c(N4CCN(c5cc(C)ccc5C)CC4)ncnc32)cc1 2374324 KTQXDILIKJHZDS-UHFFFAOYSA-N 414.513 3.768 0 50 HHAA CN(C)C(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3130742 GTYBSMXPYGJUEJ-VIFPVBQESA-N 404.150 3.594 0 50 HHAA CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1)c1ccccc1 6161656 DHYLACOCEYURFT-UHFFFAOYSA-N 424.478 3.603 0 50 HHAA CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 7505384 XSMMFSSZLFHTLA-ZDUSSCGKSA-N 407.488 3.805 0 50 HHAA CSc1nccc(N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 11813764 JRXCWDASXOXZNO-AWEZNQCLSA-N 406.502 3.790 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cc(-c2cccn2C)n[nH]1 11935262 RITRWMFZXDBKJR-UHFFFAOYSA-N 423.536 3.581 0 50 HHAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)C1 12030659 LXZYXGRPECSCBX-UZUQRXQVSA-N 421.501 3.875 0 50 HHAA COc1cc(C[C@@]2(CCC(=O)N[C@H]3CCCc4ccccc43)CCC(=O)N2)ccc1F 14965113 KCEWKDGSVUALEE-SQJMNOBHSA-N 424.516 4.000 0 50 HHAA C[C@@H](CN1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1)c1ccccc1 15066199 LZJNBBJFEWDGHK-NRFANRHFSA-N 420.601 3.678 0 50 HHAA COc1ccc(-c2nc(CN3CCN(Cc4cccc(F)c4)C(=O)C3)c(C)o2)cc1 55370217 QHLZPWIGUWTEAV-UHFFFAOYSA-N 409.461 3.642 0 50 HHAA COc1cn(CC(=O)Nc2cccc3c2ccn3Cc2ccccc2)c(C)cc1=O 253410343 NFMZMTNQSPWEPG-UHFFFAOYSA-N 401.466 3.807 0 50 HHAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CC=C(c2ccc(F)cc2)CC1 426190461 FOMAUFMBBCTSLW-BSINDNLPSA-N 408.517 3.570 0 50 HHAA CNC(=O)Cc1nc(CN2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)cs1 438484016 GSSRHSQXCUNKHC-NRFANRHFSA-N 413.587 3.947 0 50 HHAA C[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(OCC2CC2)c(F)c1 759413858 QABNPZPQMYBFIC-HNNXBMFYSA-N 412.461 3.607 0 50 HHAA Cc1cc(F)ccc1N1CCC(NCC2(N3CCN(C)CC3)CCCCC2)CC1 952988572 NCXQXSQBUZNUJT-UHFFFAOYSA-N 402.602 3.643 0 50 HHAA CC(=O)N1C[C@H]2CN(C(=O)c3sccc3Cl)C[C@@]2(CCc2ccccc2)C1 1772705623 YGOMDBFFDGAOMR-LAUBAEHRSA-N 402.947 3.955 0 50 HHAA Cc1cccc(-c2ncc(CN3CCCN(C(=O)c4ccc(C)nc4)CC3)cn2)c1 1772809537 DNCORCGIUFCWIM-UHFFFAOYSA-N 401.514 3.504 0 50 HHAA O=C(COc1ccc(Cl)cc1Cl)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1875246951 UZUWSZYDQMVJQV-IEBWSBKVSA-N 421.324 3.657 0 50 HHAA O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 2325720736 ATDRBFYPSOXTLB-UHFFFAOYSA-N 424.464 3.712 0 50 HHAA Cc1cnn(C2CCN(C(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)CC2)c1 2325727886 UNJSDQRZZSZYIE-FQEVSTJZSA-N 416.953 3.853 0 50 HHAA CO[C@@H](COC(=O)c1cc(Br)c2n[nH]cc2c1)Cc1ccc(F)cc1 2325838980 FJVBRKIBIRGGSD-OAHLLOKOSA-N 407.239 3.879 0 50 HHAA Cc1cc2c(cc(C(=O)N3CCSC[C@H]3CC(=O)O)n2CC(F)(F)F)s1 2325876557 ZJKZDQNUBWNLSA-SNVBAGLBSA-N 406.451 3.606 0 50 HHAA O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 653825 RDQIOVYSZWAQHL-QGZVFWFLSA-N 420.746 3.933 0 50 HHAA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(F)cc1 867162 OPWUAKVIPYAYSA-QGZVFWFLSA-N 405.882 3.919 0 50 HHAA CCOC(=O)c1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 951142 SVHIWMONCXHPMH-UHFFFAOYSA-N 414.417 3.916 0 50 HHAA O=C(Nc1ccccc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1056413 XDDJWUUBLPCZED-UHFFFAOYSA-N 414.314 3.532 0 50 HHAA COc1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1 1139417 YBHJXLPGXJRSBO-UHFFFAOYSA-N 420.421 3.663 0 50 HHAA O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2)c1cccnc1 1170885 SVZYALVWXALKQD-UHFFFAOYSA-N 406.511 3.989 0 50 HHAA C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)C[C@H](C)O1 3623303 GCUTVJMZNUAOFY-KBPBESRZSA-N 417.303 3.951 0 50 HHAA CCCOc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 4580658 ORJFYUPREGGLMN-UHFFFAOYSA-N 418.603 3.751 0 50 HHAA Cc1nn([C@@H](C)C(=O)NCCC2=CCCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12 6944141 GDMIAXMWLLOYIV-SFHVURJKSA-N 419.529 3.767 0 50 HHAA Nn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 9424131 OXXUPGJOBNFPSM-UHFFFAOYSA-N 418.482 3.577 0 50 HHAA Cn1c(CN2CCC[C@@H](CNC(=O)c3cc4ccccc4[nH]3)C2)nc2ccccc21 11662030 PYBRLLFZXKBTPT-KRWDZBQOSA-N 401.514 3.697 0 50 HHAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)c1 11784936 XNORGPHZIHENGP-QGZVFWFLSA-N 407.518 3.866 0 50 HHAA COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccccc1Cl 12281565 UJSKBUSVPDNBQY-QUCCMNQESA-N 422.953 3.977 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 12434949 KGNWLOPCLXOSPX-FQEVSTJZSA-N 407.558 3.710 0 50 HHAA COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 16096093 DWSGDSMFFRQXLT-UHFFFAOYSA-N 424.522 3.777 0 50 HHAA O=C(CN1C(=O)CN(c2ccc(Br)cc2)C1=O)Nc1cccc(Cl)c1 16425190 VAOLOCSJTPDBSA-UHFFFAOYSA-N 422.666 3.510 0 50 HHAA COc1ccc(/C=c2\sc3nc4c(C)cc(C)cc4n3c2=O)cc1Br 16676146 ATWGWSXIUQQUOU-SXGWCWSVSA-N 415.312 3.845 0 50 HHAA COc1cc(OC)c(OC)cc1CN1CCN(C2C3CC4CC(C3)CC2C4)CC1 19831698 NEZQAOXFDPNXNT-UHFFFAOYSA-N 400.563 3.655 0 50 HHAA COc1cc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1 20543190 YEAZZPVEQHREAZ-JOCHJYFZSA-N 413.537 3.630 0 50 HHAA COC(=O)c1ccsc1N1CC[C@H](Nc2cn(CC(C)C)nc2C(F)F)C1=O 170610586 YHESOLLOFUUJEQ-LBPRGKRZSA-N 412.462 3.542 0 50 HHAA N[C@@H](CNC(=O)CCCCc1ccc(I)cc1)c1ccccc1 170676908 QMDHWGAPJDNHPF-SFHVURJKSA-N 422.310 3.820 0 50 HHAA CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1 225548590 HVIYMSSPKLPXQM-KRWDZBQOSA-N 404.507 3.532 0 50 HHAA O=C(Nc1cnc(N2CCOCC2)c(Br)c1)[C@H]1CSc2ccccc21 225602119 PFXCSHWFMQZPBM-AWEZNQCLSA-N 420.332 3.509 0 50 HHAA CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CCN(c3ccccn3)C[C@H]12 248034874 QPWJIZCPRNXAPB-JYFHCDHNSA-N 423.520 3.742 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@H](O)c4cccc(Cl)c4)ccn3n2)cc1 263618056 RAEVGTJQZQSTMH-NRFANRHFSA-N 409.873 3.949 0 50 HHAA N=C(O)c1c[nH]nc1[C@H]1CCCN(Cc2csc(COc3ccc(F)cc3)n2)C1 328603550 GLNJVMQOLASUJI-ZDUSSCGKSA-N 415.494 3.847 0 50 HHAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CCN(CCOc1ccccc1)C2 426538654 ULHOSFHAYIAXFC-QHCPKHFHSA-N 400.469 3.858 0 50 HHAA NC(=O)Nc1ccc(CNC(=O)c2cc(F)c(F)cc2C(=O)c2ccccc2)cc1 474424928 FPPZPQXCJPOYJX-UHFFFAOYSA-N 409.392 3.616 0 50 HHAA CCC(=O)NC[C@H]1[C@H]2CN(Cc3[nH]c4ccc(Cl)cc4c3C)C[C@]23CC[C@H]1O3 1857715187 GIMFVLMFGGDHJI-VTAPXXACSA-N 401.938 3.635 0 50 HHAA CC(C)c1ccccc1Oc1ccccc1C(=O)N=c1ccn(CC(=O)N(C)C)[nH]1 1875259055 HXDNULPZNPCHKR-UHFFFAOYSA-N 406.486 3.561 0 50 HHAA O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCC[C@@H]1C[C@H](O)c1ccccc1 1875330672 XOZYEFWCLDWVSP-WBVHZDCISA-N 407.436 3.967 0 50 HHAA O=C(Cc1ccc(-n2cnnc2)cc1)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 1875335388 GIKRUUHUIUXHMK-UHFFFAOYSA-N 410.477 3.728 0 50 HHAA CC(=O)c1nc(NC(=O)N[C@H](C)c2csc(NC(=O)C(C)(C)C)n2)sc1C 1875356908 RFOVKDAOYVTWIU-MRVPVSSYSA-N 409.537 3.978 0 50 HHAA CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)ccc1O 845727 YDAMXLSJGFVIGO-GOSISDBHSA-N 401.850 3.711 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 866046 UNRABGGJLVMDPJ-NUEKZKHPSA-N 412.387 3.591 0 50 HHAA CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1cccc2ccccc12 877294 PUFLJVVDXJMZDI-UHFFFAOYSA-N 402.903 3.576 0 50 HHAA O=C(NCc1cccnc1)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 1062244 OICGUUJJQSEUDC-SJORKVTESA-N 401.392 3.868 0 50 HHAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1 1111826 AGVNPZWPUAUQOI-UHFFFAOYSA-N 408.951 3.866 0 50 HHAA Cc1cc(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cc(O)n1 2356153693 RAYBHEWWCHPPSF-XMMPIXPASA-N 400.482 3.673 0 50 HHAA COc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl 2998934 ZCIJPARRIVQABT-UHFFFAOYSA-N 419.305 3.652 0 50 HHAA Cc1ccc(-c2nc(CCNC(=O)C(=O)Nc3ccc(F)cc3F)cs2)cc1 4570881 MQKQETBZVGAZTD-UHFFFAOYSA-N 401.438 3.694 0 50 HHAA Cc1ccc2c(C(=O)N(C)CC3CCN(C)CC3)cc(-c3cnn(C)c3)nc2c1C 63856931 PHOUZXIOLOGJHJ-UHFFFAOYSA-N 405.546 3.666 0 50 HHAA COc1cc2cc(C(=O)Nc3ccc(OCCN4CCCC4)cc3)[nH]c2cc1OC 409415169 WAIZRBURGOLUPN-UHFFFAOYSA-N 409.486 3.912 0 50 HHAA O=C(Nc1nnc(SCc2cccs2)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 142166969 OVEOXXWJEFQCMK-GFCCVEGCSA-N 416.553 3.884 0 50 HHAA COc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc(OC)c1OC 1072760 BQIWTMHCHWWWTR-UHFFFAOYSA-N 422.485 3.950 0 50 HHAA Cn1ccc(CC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)c1 12431518 BGUIBVNQKRYRCZ-KRWDZBQOSA-N 401.938 3.556 0 50 HHAA O=C(NCc1ccc(-n2cccn2)cc1)c1cc(COc2ccc(F)cc2F)on1 12707389 UTRFFSMBLJYRGY-UHFFFAOYSA-N 410.380 3.648 0 50 HHAA Cc1cn2c(CNC[C@@H](c3ccc(Cl)cc3)N3CCOCC3)c(C)nc2s1 237919257 IWKYBWRRDBHLHF-IBGZPJMESA-N 404.967 3.829 0 50 HHAA COc1cccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)n2C)c1 17089243 IWEWQNKTJNVUTL-UHFFFAOYSA-N 412.515 3.750 0 50 HHAA O=C(NC1CC1)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCCC2 17090760 ODVHRKNQCBTSEO-UADMCSNRSA-N 416.543 3.595 0 50 HHAA CCN(C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)C1CCCCC1 82092556 INLHNHFIXWLYCQ-JOCHJYFZSA-N 412.622 3.939 0 50 HHAA Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](C(=O)c1ccc3c(c1)OCO3)CC(=O)N2 45302623 UDCRKFVRSKUTLW-HNNXBMFYSA-N 409.829 3.872 0 50 HHAA CCn1nc(C)c([C@@H](C)NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1C 670469827 SMLJINSKFGORHI-OAHLLOKOSA-N 402.520 3.831 0 50 HHAA O=S(=O)(N[C@H]1CCCN(Cc2cccs2)C1)c1ccccc1C(F)(F)F 670443560 JZJKMMJHAPCKEU-ZDUSSCGKSA-N 404.479 3.710 0 50 HHAA CN(CCOc1ccccc1)C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1 952971369 ODOGIVNVPVWHEE-UHFFFAOYSA-N 415.555 3.829 0 50 HHAA CCN(Cc1nc(C(C)C)no1)S(=O)(=O)c1ccc(-c2c(C)noc2C)s1 952977428 NISYDTGQSYRUCQ-UHFFFAOYSA-N 410.521 3.737 0 50 HHAA COC(=O)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)cc1 5068437 QWFQEBXIDABDSZ-IBGZPJMESA-N 409.511 3.522 0 50 HHAA COc1cccc(CN(C)C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C)c1 12122264 AFZCPUFCYSCUBI-UHFFFAOYSA-N 403.442 3.512 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1ccoc1C 14964040 ZHXSEESTFSMNDG-UHFFFAOYSA-N 400.519 3.597 0 50 HHAA Cc1ccc(OCc2cc(C(=O)N3CCC[C@@H]3c3nc4ccc(F)cc4[nH]3)no2)cn1 15063069 RBEQIOIKIFVGJQ-HXUWFJFHSA-N 421.432 3.950 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cc1 15070081 XCCDXSTZBRJOOQ-SFHVURJKSA-N 412.505 3.921 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(F)cc3)n2)ccc1C 16648180 CNFNVUITNNFYPL-AWEZNQCLSA-N 408.433 3.516 0 50 HHAA c1ccc(COc2cccc(CN3CCc4nnc([C@@H]5CCCO5)n4CC3)c2)cc1 19300360 ZMZILQYCEWKNGE-QFIPXVFZSA-N 404.514 3.767 0 50 HHAA Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 169772955 KIVCQMZIQMOTKV-GFCCVEGCSA-N 413.275 3.625 0 50 HHAA CCO[C@H]1C[C@@H](O)C12CCN(c1ccc(-c3ccc(Br)s3)nn1)CC2 225541235 ZKXVZZROHJLFDZ-CABCVRRESA-N 424.364 3.724 0 50 HHAA O=C(c1cn([C@H]2CCCN(C/C(Cl)=C/c3ccccc3)C2)nn1)N1CCCCC1 12278970 LTXYYTGIFJPZKY-STIKNRRDSA-N 413.953 3.821 0 50 HHAA Cc1cn2ccnc(C(=O)N(Cc3cc(Br)ccc3F)C(C)C)c2n1 469002854 PRYUPURUEUVZFR-UHFFFAOYSA-N 405.271 3.990 0 50 HHAA O=C(N[C@@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1)c1ccccc1 1875263273 NMYZAHSCUCJDSZ-MRXNPFEDSA-N 413.403 3.566 0 50 HHAA CC(=O)c1nc(NC(=O)N[C@@H](C)c2csc(NC(=O)C(C)(C)C)n2)sc1C 1875356909 RFOVKDAOYVTWIU-QMMMGPOBSA-N 409.537 3.978 0 50 HHAA O=C(CNC(=O)c1cccc2[nH]ccc12)Nc1ccc(-n2cnc3ccccc32)cc1 1875336833 IGCXWEKCKDSNID-UHFFFAOYSA-N 409.449 3.875 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)C1 1875371661 INZSIVZUXVAINC-RDJZCZTQSA-N 412.477 3.747 0 50 HHAA O=C(O)c1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc(C(=O)O)c1 857569 GPHOMBJJVYMPDC-UHFFFAOYSA-N 405.362 3.701 0 50 HHAA Cc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)c(Br)c1 19902804 JLTYRNUNNMLZEL-OAHLLOKOSA-N 420.284 3.880 0 50 HHAA COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1[C@@H](C(=O)OC)CC2 955059 UBHZWFLCJZSHGY-KADSFNECSA-N 403.431 3.529 0 50 HHAA C[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccccc1 1109225 GHPLLBKZMZPUOI-AOMKIAJQSA-N 402.450 3.956 0 50 HHAA O=C(NCc1ccc2c(c1)OCO2)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 1114306 APUAGOGAWXJHKN-QGZVFWFLSA-N 416.739 3.555 0 50 HHAA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nccs2)c(Cl)cc1Cl 1136305 FUKKFGFNQDIZIG-UHFFFAOYSA-N 408.332 3.733 0 50 HHAA CCCOC(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 1801454 DKCQEAUBBKPVKX-FQEVSTJZSA-N 422.481 3.903 0 50 HHAA COc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)cc2)cc1 2994391 FHQNHOPKQCMTDK-SFTDATJTSA-N 405.450 3.803 0 50 HHAA Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cccc1C(=O)O 5060087 UPPVKMCVXAOIEF-UHFFFAOYSA-N 414.417 3.742 0 50 HHAA CC(C)[C@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S)n32)CO1 5610555 BYPIQBYLJZTMDQ-CQSZACIVSA-N 412.540 3.540 0 50 HHAA O=C1CCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)CCN1Cc1ccccn1 11782271 ZWVAFBJFGFOVQB-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA Cc1nc(CC(C)C)cc(C(=O)N2CCC(CO)(CCOc3ccccc3)CC2)n1 12712274 URWXBMMMURFZPO-UHFFFAOYSA-N 411.546 3.667 0 50 HHAA COc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1 14956770 FOMPIYRXAGQVCI-JOCHJYFZSA-N 408.542 3.824 0 50 HHAA O=C(CCC1CCN(C2CCSCC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 15067753 WXARCCRKFBHKAW-QFIPXVFZSA-N 415.647 3.765 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 17087646 IPXDCOJHMLPJOU-UHFFFAOYSA-N 407.392 3.831 0 50 HHAA COc1ccc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)c(C(C)(C)C)c1 19809653 GEEIUTXSSZILIP-GOSISDBHSA-N 416.537 3.694 0 50 HHAA O=C(c1nc2ccccn2c1CNCc1cc2cc(Cl)ccc2[nH]1)N1CCCC1 19838114 UKTZWYAOLAPYOR-UHFFFAOYSA-N 407.905 3.995 0 50 HHAA Clc1cccc(N2CCN([C@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)c1 20534144 YFPTWHYSRQMSGA-FQEVSTJZSA-N 411.937 3.663 0 50 HHAA CCN(CC)C[C@@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 22454198 UBRKDAVQCKZSPO-SFHVURJKSA-N 421.545 3.508 0 50 HHAA biogenic,investigational O=C(c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1)N1CCc2n[nH]cc2C1 77420200 FCCOIACHCZLEKU-UHFFFAOYSA-N 419.529 3.640 0 50 HHAA O=C([C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCCCC1 82127220 PAVSQWRGQBNVCP-HSZRJFAPSA-N 412.622 3.941 0 50 HHAA CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc(C(C)C)cc1 169617330 ZWSFALBSMHOXLF-CTVDGRRTSA-N 418.530 3.753 0 50 HHAA O=C1[C@H]2[C@@H](c3ccncc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 229994054 LRKJNSYVFCUHII-XUVXKRRUSA-N 405.841 3.786 0 50 HHAA CC(C)OC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 239121134 JJCYSELBNHRKNJ-VWEIPLKFSA-N 403.478 3.510 0 50 HHAA Cc1ccc(S(=O)(=O)c2ccc(CN[C@](C)(CO)c3cccc(O)c3)cc2)cc1 241383303 MUDAGQMRHGJERK-HSZRJFAPSA-N 411.523 3.531 0 50 HHAA COCCn1ccc2c(OCC(=O)Nc3n[nH]c(CCC4CCCC4)n3)cccc21 263588397 SYRBICCNKSPEFQ-UHFFFAOYSA-N 411.506 3.546 0 50 HHAA COCCc1nsc(N2CCC(c3nccc(-c4ccc(OC)cc4)n3)CC2)n1 952891992 DLDUVSKJAPWDDJ-UHFFFAOYSA-N 411.531 3.577 0 50 HHAA CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2Cc2cc(F)ccc2F)c1 1875336493 GLTOSHSTLNIFAU-GOSISDBHSA-N 407.482 3.996 0 50 HHAA CCCc1sc(NC(=O)[C@H]2CCC(=O)N(C)C2)nc1-c1ccc(OCC)cc1 1940195524 VKEIUGNFSHSLMS-HNNXBMFYSA-N 401.532 3.968 0 50 HHAA Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1)CC2 2325731695 YLXWJMNVEMJSAP-SFHVURJKSA-N 401.894 3.924 0 50 HHAA CCc1ccccc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O 786783 VSRPGYVYXZCSOQ-UHFFFAOYSA-N 400.422 3.673 0 50 HHAA Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccc(N)c1 1183191 BOIYKKFNJKTMLE-UHFFFAOYSA-N 418.320 3.558 0 50 HHAA CC(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 1232349 KFALXDKCAJRLAE-VIFPVBQESA-N 419.559 3.568 0 50 HHAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Br)cc2)NC(=S)N1 1310385 KCMWQBMOGWUOFF-INIZCTEOSA-N 402.317 3.881 0 50 HHAA O=C([C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CCCCCC1 2877299 JKCHMLQSMUGLNN-AWEZNQCLSA-N 419.374 3.797 0 50 HHAA Cc1ccn2c(CNCc3ccc4c(c3)OCO4)c(C(=O)N3CCCCCC3)nc2c1 11663550 NLWHDPDNZLCSAJ-UHFFFAOYSA-N 420.513 3.677 0 50 HHAA O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cc(COc2c(F)cccc2F)on1 11665405 NPTMMPGGRGZDSN-INIZCTEOSA-N 413.302 3.960 0 50 HHAA Cc1nn(C)c(C)c1CN(C(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1)C(C)C 11769130 JRMWSTOUXVRRIS-LJQANCHMSA-N 402.583 3.735 0 50 HHAA O=C(Nc1ccnn1C1CCN(C[C@H]2CC=CCC2)CC1)c1ccc2c(c1)OCO2 11934819 PBUOGKUWSXQAKN-KRWDZBQOSA-N 408.502 3.857 0 50 HHAA CSc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)O3)cc1 12048882 FIBGSKDNMCYWRQ-FPOVZHCZSA-N 410.539 3.506 0 50 HHAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4scnc4C)C3)C2)c1 12315959 ZOPUIDSPNJAHKK-NRFANRHFSA-N 403.523 3.728 0 50 HHAA CN(Cc1cc2ccccc2s1)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 14755450 RPFVAFQMGFCXCM-KRWDZBQOSA-N 408.571 3.860 0 50 HHAA O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCc1csc(-c2ccccc2)n1 14883045 XXAHDUZCJNTCRG-QFIPXVFZSA-N 409.511 3.691 0 50 HHAA CC(C)c1ccc(CN2CCC3(CC[C@@H](CNC(=O)C4CCOCC4)O3)CC2)cc1 14888266 RUFUDJSQKBCXEU-QHCPKHFHSA-N 414.590 3.866 0 50 HHAA COC[C@H]1CCN(C(=O)c2cc(C)ccc2OC2CCN(Cc3ccncc3)CC2)C1 15069053 MDVIDXPFXZMFLX-NRFANRHFSA-N 423.557 3.542 0 50 HHAA CCOCc1cc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)ccc1OC 23374488 IUCOADGZYWEGDB-QHCPKHFHSA-N 404.595 3.681 0 50 HHAA CCn1c(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)nc2ccccc21 23375461 HIZUDPWVAHSKOT-FQEVSTJZSA-N 421.564 3.982 0 50 HHAA COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2 43195697 GEJDGVNQKABXKG-CFKGEZKQSA-N 418.578 3.564 0 50 HHAA fda CCCn1c(C)c(CC(=O)N[C@H](C)c2nc(CC)no2)c2c1CC(C)(C)CC2=O 95510413 RYLQHDTZAGKJMP-CYBMUJFWSA-N 400.523 3.727 0 50 HHAA COc1cccc([C@H]2Cn3nnc(-c4nc(-c5ccc(SC)cc5)no4)c3CO2)c1 169758468 OXWUQPQTBWNGCF-GOSISDBHSA-N 421.482 3.997 0 50 HHAA CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCOCC2)CC1 212502917 QWWPPLKLWCLNKY-VNXZQDSDSA-N 414.590 3.719 0 50 HHAA CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 220983015 HTSOWUMGLDLYOB-UHFFFAOYSA-N 408.248 3.686 0 50 HHAA O=C(COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccc(F)cc1 239339055 LQCKGNBDIKFRTN-UCHKQQSZSA-N 417.436 3.645 0 50 HHAA Cc1cc(C)nc(SCC(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@H]32)n1 239591446 BBKUYXFIUZXIPC-ZACQAIPSSA-N 405.564 3.687 0 50 HHAA CC(C)(C)OC(=O)NCC1(CN2C[C@@H](CCN3CCCC3=O)c3ccccc32)CC1 242048147 VTHIGPLHDXNBGD-GOSISDBHSA-N 413.562 3.908 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)n(-c2ccccc2)n1 326129377 PXLXSEDZHJKRBD-UHFFFAOYSA-N 410.268 3.883 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)NCC3(c4ccccc4)CCN(C)CC3)cc2)n1 823759350 AOZFXQQQYAITHA-UHFFFAOYSA-N 416.569 3.942 0 50 HHAA O=C(Cc1ccc(NC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)cc1)NC1CC1 952975076 OFYQWNSBTZJKSC-HSZRJFAPSA-N 409.505 3.813 0 50 HHAA CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc2nc(O)oc2c1)c1ccc(Cl)cc1 1461921393 ZPIUISUYQQPPCT-APPDUMDISA-N 401.850 3.632 0 50 HHAA O=C(Nc1ccccc1F)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875244807 VOFKZFSFTPBIIP-DENIHFKCSA-N 400.450 3.518 0 50 HHAA C[C@H](CC(=O)N(CCNC(=O)c1c(F)ccc2ccncc12)C1CC1)C(F)(F)F 2325828643 NKTDLGYSZBSWHR-GFCCVEGCSA-N 411.399 3.683 0 50 HHAA Cn1cc(-c2ccncc2N2C(=O)NC3(CC(c4ccccc4Cl)C3)C2=O)cn1 2325869712 YPQRBMPHNXYOGR-UHFFFAOYSA-N 407.861 3.508 0 50 HHAA COc1ccc(NC(=O)Nc2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1 810179 LKTPDNXKHLKYMW-UHFFFAOYSA-N 418.500 3.905 0 50 HHAA CSCC[C@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 2447875 GJQHFODENASHAQ-OAHLLOKOSA-N 411.508 3.653 0 50 HHAA CCOc1cc(CN2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)ccc1OC(C)C 2356161022 CLAZPHSCLHELQY-FYYLOGMGSA-N 407.551 3.946 0 50 HHAA COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 2626948 QNOWIFRVFIHIJN-UHFFFAOYSA-N 410.392 3.812 0 50 HHAA CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 4695116 DFYHGAWSTCUBJD-UHFFFAOYSA-N 406.813 3.618 0 50 HHAA O=C(CSCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc2ccccc2c1 4869666 HPJOSUSIPJRPDZ-UHFFFAOYSA-N 419.550 3.860 0 50 HHAA Cc1ccccc1-c1ncc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)cn1 20207581 MEMKUVHSMBDFLM-QHCPKHFHSA-N 402.542 3.521 0 50 HHAA COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)CC1=O 252517113 ZTYFFCODLHIIIU-KFNAQCHYSA-N 420.843 3.652 0 50 HHAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 12029019 VUJMDMBPORWEKL-FQEVSTJZSA-N 402.498 3.658 0 50 HHAA Cn1cc(CN2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)c(-c2ccccc2)n1 12711242 AMNYHIHGDBCMRK-HSZRJFAPSA-N 416.525 3.763 0 50 HHAA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(O)cc4)N(c4ccccc4)O[C@H]3C2=O)cc1 229966502 RAXYROGTNMRWJD-BHDDXSALSA-N 400.434 3.752 0 50 HHAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C4CSCCSC4)C3)C2)c1 19223846 AAJUNGJCRPNMJH-NRFANRHFSA-N 410.624 3.971 0 50 HHAA Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H](C)CN3CCc4ccccc4C3)c2)n1 821816043 IKVFUKIQQNWJNA-IBGZPJMESA-N 402.542 3.725 0 50 HHAA Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCN(c3ccccc3C)CC2)CC1 952984937 OUOXLDSZJNTBDE-UHFFFAOYSA-N 419.569 3.895 0 50 HHAA COc1ccc(CC(=O)NS(=O)(=O)[C@H](C)c2ccc(Cl)cc2Cl)cc1 772784109 HMYQIFZVIQTKPA-LLVKDONJSA-N 402.299 3.752 0 50 HHAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCC2=NNC(=O)CC2)cc1 12597416 XTEIVLPDVSJJAQ-HXUWFJFHSA-N 421.545 3.710 0 50 HHAA O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)N1CCOCC1 12862320 SHLBEVPUUOUMRX-NRFANRHFSA-N 416.930 3.587 0 50 HHAA Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1F 14746142 VUIPZFNOQVIUNB-HXUWFJFHSA-N 420.532 3.728 0 50 HHAA COc1cc(CNCCc2cccc(Cl)c2)ccc1OC[C@H](O)CN(C)C(C)C 14968184 PNQUSCBWNRLACX-OAQYLSRUSA-N 420.981 3.761 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3c(C)cccc3C)n2)ccc1C 16649878 CKAVOONOBVNDQR-UHFFFAOYSA-N 418.497 3.823 0 50 HHAA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1=O 19774779 STOWRYGXJGGBRU-LJQANCHMSA-N 410.495 3.799 0 50 HHAA CCc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1cccc(-n2cccn2)c1 1875243498 JIKAXNQCJPGOKP-UHFFFAOYSA-N 404.499 3.620 0 50 HHAA CCCn1nccc1C1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)CC1 225710679 JZWNFZWEFZRUEJ-JOCHJYFZSA-N 410.562 3.762 0 50 HHAA C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl)c1ccccc1 1424233 IHJKAHZWCFPOTF-NSHDSACASA-N 401.315 3.735 0 50 HHAA Cc1ccc(C)c(OCc2ccc(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)o2)c1 653552 HSGJEOXQNIKLBG-LJQANCHMSA-N 414.355 3.896 0 50 HHAA CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCc2ccccc2)ccc1O 659263 XRSDPFOTSXRUAP-OAQYLSRUSA-N 410.470 3.547 0 50 HHAA O=C(c1ccccc1)N1CCN(c2ccc(NCc3ccc4c(c3)OCO4)cc2)CC1 679362 FTMWZVAKZUMZAU-UHFFFAOYSA-N 415.493 3.990 0 50 HHAA O=C(NCc1cccnc1)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12 844986 KPHIFRWANYHCIZ-UHFFFAOYSA-N 415.350 3.879 0 50 HHAA CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)Nc2ncnn21 936842 DMFMEASWYQWXSQ-HXUWFJFHSA-N 420.469 3.718 0 50 HHAA Cc1sc(NC(=O)c2ccc3c(c2)OCO3)c(C(=O)NCc2cccnc2)c1C 1056460 OWGAFVBRUSICRR-UHFFFAOYSA-N 409.467 3.671 0 50 HHAA CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCc1cccc(F)c1 1111882 VBHSXVLSEMAJCG-BOPFTXTBSA-N 400.475 3.833 0 50 HHAA COc1ccc(C=O)cc1OCC(=O)Nc1ncc(Cc2ccccc2F)s1 5047499 NBURNQSCDIMOKW-UHFFFAOYSA-N 400.431 3.712 0 50 HHAA Cc1c(NC(=O)c2ccc(CN3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C 10691328 UNWZRYGLMIONRB-UHFFFAOYSA-N 404.514 3.723 0 50 HHAA COCc1c(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c(=O)cc(C)n1CCCc1ccccc1 12133645 WCIZGRUNFUHXRR-BHIFYINESA-N 420.553 3.878 0 50 HHAA C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2ccsc2)c1 12218715 OPWYJCANLDKKDT-INIZCTEOSA-N 424.570 3.789 0 50 HHAA O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)c2cnn3cccnc23)C1 12431480 YGNRAOZULLZFDZ-GOSISDBHSA-N 410.477 3.716 0 50 HHAA O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)Cc1cccnc1)CC2 15069702 WUHIZBZEVKZGSM-UHFFFAOYSA-N 403.457 3.529 0 50 HHAA COc1cccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)O)sc3c2CCC3)c1 17090649 IKQCAOMADFKYRZ-GFCCVEGCSA-N 416.499 3.937 0 50 HHAA Cn1c(COc2ccc(C3CCCCC3)cc2)nn(CN2CCOCC2)c1=S 19798403 DSBKJLMGBHNEDL-UHFFFAOYSA-N 402.564 3.867 0 50 HHAA Cn1cc(CN2CCCN(Cc3cccs3)CC2)c(-c2ccc3c(c2)OCCO3)n1 19836699 BCYPYDFMIXCZKL-UHFFFAOYSA-N 424.570 3.628 0 50 HHAA Cc1cc(C(=O)N(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)nc(C)n1 67641593 ILIUSHOZXCWNML-UHFFFAOYSA-N 407.562 3.785 0 50 HHAA O=C(NC1CCCCC1)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 91460219 BYYAHYMLMBYWKF-GOSISDBHSA-N 410.562 3.958 0 50 HHAA Cc1ccc(OCCN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc1C 91586019 RVNMIBWYICYPSE-JOCHJYFZSA-N 400.563 3.566 0 50 HHAA Cc1ccc(-n2c(C3CCN(C(=O)c4ccc(F)cc4Cl)CC3)n[nH]c2=O)cc1 169779742 XULHJMMFLADHDJ-UHFFFAOYSA-N 414.868 3.681 0 50 HHAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cc1cn(C)c2ccccc12 409413995 HTFQSUXPBXRLIH-NZQKXSOJSA-N 411.590 3.850 0 50 HHAA biogenic CC(C)c1ccc(N2C[C@@H](C(=O)N3CCC(OCc4ccccn4)CC3)CC2=O)cc1 827696736 SMGHUPQYSRXBRD-FQEVSTJZSA-N 421.541 3.766 0 50 HHAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N[C@H](C)CN1CCOCC1 952965361 GVDOYRGZFCGIBM-QGZVFWFLSA-N 408.498 3.771 0 50 HHAA Cn1nc(C(F)F)cc1C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704297282 KPPIOFFJYOOECP-QHCPKHFHSA-N 423.467 3.935 0 50 HHAA O=C(Nc1cccc(F)c1)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875248949 ACNBPADCKUINMI-DENIHFKCSA-N 400.450 3.518 0 50 HHAA COc1ccc(CN2CCC(CN=c3cc(-c4ccccn4)nc(C)[nH]3)CC2)cc1 1875255388 ROPZUTPMQGKVCU-UHFFFAOYSA-N 403.530 3.602 0 50 HHAA Cc1ccc(O[C@@H](C)CNC(=O)[C@]23CCC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 1875315001 DPHARCADYOQGSN-BSRJHKFKSA-N 402.535 3.916 0 50 HHAA CC(C)C[C@@H](NS(C)(=O)=O)c1nc(Cc2cc(-c3ccccc3Cl)on2)no1 1875347287 SOCLJGZACAIODH-OAHLLOKOSA-N 424.910 3.605 0 50 HHAA O=C(c1cc(-c2ccncc2)nnc1O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822790 PHQCSCOZNVORIO-UHFFFAOYSA-N 410.861 3.581 0 50 HHAA COc1cnccc1-c1ccc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)cc1 2356153113 RWMMIGGSJQEVDK-QHCPKHFHSA-N 403.482 3.738 0 50 HHAA O=C(CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)Nc1cccc(Cl)c1 805901 POEVHOBDHGERIS-OAHLLOKOSA-N 409.294 3.997 0 50 HHAA CCOc1ccc(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 881889 ZIDBDPCQZCGPLY-UHFFFAOYSA-N 409.305 3.983 0 50 HHAA CC(C)N1C(=O)c2ccc(C(=O)OCc3cccc(Br)c3)cc2C1=O 935789 NANNSXIRXSSKDG-UHFFFAOYSA-N 402.244 3.811 0 50 HHAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(OCc2ccccc2)c(OC)c1 1159838 YNVDQKOULNOBSN-GOSISDBHSA-N 416.861 3.729 0 50 HHAA Cc1cc(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cc(O)n1 2356153692 RAYBHEWWCHPPSF-DEOSSOPVSA-N 400.482 3.673 0 50 HHAA Cc1ccccc1-n1nc(CO)c(C(=O)NCC(c2ccccc2)c2ccccc2)n1 8613322 LGKFAZGPZKEJAF-UHFFFAOYSA-N 412.493 3.630 0 50 HHAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nc(-c2ccccn2)cs1 67640900 XYIMZXMNPYGDBM-UHFFFAOYSA-N 423.885 3.721 0 50 HHAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)Cc2ccsc2)C3)n1 12132524 DHKPZYZNNXDFQM-UHFFFAOYSA-N 410.495 3.791 0 50 HHAA COc1cccc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3Cl)n2)c1OC 2800687 IDIVSEZQSFHMLU-UHFFFAOYSA-N 407.257 3.903 0 50 HHAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CCC(Cc2ccccc2)CC1 40284612 RCMROSSSZZPEJL-UHFFFAOYSA-N 405.473 3.531 0 50 HHAA N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)O 514251189 AMXVFOPSNORPRB-QFIPXVFZSA-N 402.494 3.677 0 50 HHAA CN(C)c1ccc(NC(=O)[C@]2(N3CCC3=O)CC[C@H]3Cc4ccccc4C[C@H]3C2)cc1 248139243 SRRXWSAWZHWVNJ-WOVHNISZSA-N 417.553 3.877 0 50 HHAA C[C@H](NC(=O)Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 728392591 MDFHQTVUEJDDJP-ZDUSSCGKSA-N 409.877 3.927 0 50 HHAA O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 11770265 IAEXNCQILPFEDN-OAQYLSRUSA-N 411.590 3.729 0 50 HHAA CSc1nc(C(=O)NC[C@@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)cs1 11841647 BNEXAXVJDJIHDK-ZDUSSCGKSA-N 418.931 3.709 0 50 HHAA CCc1ccc(CN2CCC3(CC[C@@H](CNC(=O)c4csc(C)n4)O3)CC2)cc1 11881325 VTUMSDSDKJELBR-FQEVSTJZSA-N 413.587 3.958 0 50 HHAA CCS(=O)(=O)c1ncc(CN2C[C@@H]3CCC[C@H]2C3)n1CCCc1ccccc1 11934205 XNYXIXGSIDXNLZ-UXHICEINSA-N 401.576 3.684 0 50 HHAA CC1(C)C[C@H](NC(=O)CC[C@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CCO1 12056755 SSGNJGMGWQNMBU-PXDATVDWSA-N 408.542 3.885 0 50 HHAA O=C1CCC(CCC(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)=NN1 12057142 CAXPKGDHNCMSRY-NRFANRHFSA-N 417.509 3.821 0 50 HHAA COc1ccc(-n2c(CNC(=O)c3ccccc3C(F)(F)F)nnc2SC)cc1 12131435 GSHVIWFRSOXYLT-UHFFFAOYSA-N 422.432 3.947 0 50 HHAA COc1cccc(CNC(=O)c2sc3ncnc(NC[C@H]4CCCO4)c3c2C)c1 12154352 FEIMPTDTNQIWGA-MRXNPFEDSA-N 412.515 3.529 0 50 HHAA COC(=O)CCC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 12198857 HKDKRVIAMAMVHC-AWEZNQCLSA-N 414.424 3.616 0 50 HHAA CN(CCCC1CCCC1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 12205081 RNBNIVPNHKETJX-NRFANRHFSA-N 423.623 3.648 0 50 HHAA COCCN(Cc1ccc(OC)c(OC[C@@H](O)CN2CCCCCCC2)c1)C(C)C 12750316 XGJBQMPVGGEYGA-QFIPXVFZSA-N 422.610 3.558 0 50 HHAA FC(F)(F)c1cccc(N2CCN([C@H]3CCCN(Cc4cccnc4)C3)CC2)c1 19798623 MORMPUYFYCRRMZ-NRFANRHFSA-N 404.480 3.887 0 50 HHAA COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4ccc(F)cc4Cl)C3)[nH]n2)cc1 169754306 HCIIWPDFKSMOGL-OAHLLOKOSA-N 414.868 3.887 0 50 HHAA Cc1cnccc1N1CCC(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)CC1 1875347438 UNFPQUVPZPGGDL-SFHVURJKSA-N 401.894 3.592 0 50 HHAA C[C@@H]1[C@@H](NC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)CCCN1C 1775960432 LHAWGQHGUIVIIJ-APWZRJJASA-N 413.541 3.588 0 50 HHAA O=C(N[C@@H]1CSC[C@H]1OC(=O)c1ccc(Br)cc1)c1ccccc1 2858420 JAFCXLJLZNJFAE-HZPDHXFCSA-N 406.301 3.520 0 50 HHAA COc1ccccc1CNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 839714 DUGWAQALVGXBRI-UHFFFAOYSA-N 424.522 3.591 0 50 HHAA O=C(NCc1cccnc1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 1062248 OICGUUJJQSEUDC-DLBZAZTESA-N 401.392 3.868 0 50 HHAA Cc1ccc(-c2cc(C(=O)NN3CCOCC3)c3cc(Br)ccc3n2)o1 1068432 BROZHQYTXXBUEK-UHFFFAOYSA-N 416.275 3.543 0 50 HHAA O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 1096058 OOYAQQMQHGTGQX-UHFFFAOYSA-N 410.326 3.957 0 50 HHAA COc1cccc(NC(=O)Cn2c(C)cc(=O)c3cc(Br)ccc32)c1 1147618 NZHWKPWZEAKAEN-UHFFFAOYSA-N 401.260 3.720 0 50 HHAA Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C1CCCCC1 2335905 CVSMPZZQFBAPKP-UHFFFAOYSA-N 411.527 3.852 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C(N)=O)C1 5021124 MXASBNLPNWRENT-UPJWGTAASA-N 404.532 3.604 0 50 HHAA O=C(c1cccs1)[C@@H]1CCCN(C(=O)c2cn(Cc3ccccc3Cl)nn2)C1 11761545 HFVMDKSFUXNRQW-OAHLLOKOSA-N 414.918 3.776 0 50 HHAA COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(OC)ccc4F)N4CCC[C@@]34C2=O)cc1 11816273 GYOCSJYRTQUMFH-OWSXEPHWSA-N 410.489 3.781 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2cn3cc(C)ccc3n2)C1 11819867 VOVBKOZIJQAEPM-RUZDIDTESA-N 419.525 3.979 0 50 HHAA Cc1nccn1CCC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 11819899 CUHVTISGVSFEHT-FQEVSTJZSA-N 401.510 3.955 0 50 HHAA Cc1csc(CNC(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)n1 11839214 ISDVHUVMBJIULT-QHCPKHFHSA-N 407.539 3.893 0 50 HHAA Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C[C@@H]1CCC(=O)N1)C(C)C 11844654 MULCUDBIOJSHQU-ZDUSSCGKSA-N 405.882 3.521 0 50 HHAA O=C(c1cn(CC2CCCCC2)nn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 11937188 SCKLUVHQUFBGOF-UHFFFAOYSA-N 421.467 3.840 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)s1 12193330 MPIFODAVNAFILW-HNNXBMFYSA-N 409.483 3.876 0 50 HHAA COc1ccccc1/C=C/CN1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 12716507 YIBMHRUILJZEHV-LNYGYFNRSA-N 414.571 3.540 0 50 HHAA CCN1CCN(C(=S)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)CC1 13829853 RNHSKTNMDYTUKH-UHFFFAOYSA-N 403.573 3.844 0 50 HHAA O=C(CCc1nnc(CCCc2ccccc2)o1)N1CCN(C2CCCCC2)CC1 14956562 AJKSIQCZGURCIK-UHFFFAOYSA-N 410.562 3.654 0 50 HHAA COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3cccc(OC)c3)CC2)cc1 15069628 SLISJERVQIEYDR-UHFFFAOYSA-N 420.513 3.990 0 50 HHAA COc1ccccc1-c1cn2c(C(=O)N(C)Cc3n[nH]c4c3CCCC4)csc2n1 15078357 WEFPSVBMUOJZRR-UHFFFAOYSA-N 421.526 3.946 0 50 HHAA Cc1ccc(-c2nnc(CCC(=O)N[C@@H](Cn3ccnc3)c3ccccc3)o2)s1 19111208 YTRQUZXBQWDDCV-KRWDZBQOSA-N 407.499 3.793 0 50 HHAA CCS(=O)(=O)c1ncc(CN(C)CCc2ccccc2)n1CCc1ccccc1 20451394 BIONSTGLLSIXRC-UHFFFAOYSA-N 411.571 3.594 0 50 HHAA OCC[C@@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CCN1CC1CCCCC1 20454935 LTMZNPJOHOZUQA-XMMPIXPASA-N 403.586 3.743 0 50 HHAA Cc1cc(C)n(-c2cccc(CN3CCN(CCc4ccccc4)[C@H](CCO)C3)c2)n1 39364236 XYZFJEYWQBSSJM-AREMUKBSSA-N 418.585 3.600 0 50 HHAA COc1ccc(CN(C)C(=O)c2ccc(CSc3ncn[nH]3)o2)c2cccnc12 55165749 GDUFMINNGRUCDJ-UHFFFAOYSA-N 409.471 3.519 0 50 HHAA Cc1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@H]2CCCO2)[nH]1 67920718 BTUATNRNENWUIG-JOCHJYFZSA-N 400.542 3.750 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c(Cl)c1 72441910 LFWXXHGJYJVJJT-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA CO[C@H]1C[C@H](C(=O)Nc2ncc(Cc3ccccc3)s2)N(C(=O)OC(C)(C)C)C1 170611074 DCPJABHESYDHTN-DOTOQJQBSA-N 417.531 3.697 0 50 HHAA CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc(F)c(Cl)c1 225518664 VSUKLVKOGNDEHO-SFHVURJKSA-N 409.870 3.548 0 50 HHAA COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 239038589 DMTLHMBJHHIBLA-VSKRKVRLSA-N 418.424 3.885 0 50 HHAA Cc1ccccc1[C@H](OC[C@H](O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1 241301095 LQHWKJGIAIZLLX-JMJGKCIBSA-N 407.510 3.637 0 50 HHAA Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Cc2nc(C(C)C)c(C)s2)cc1 436250511 GOYRHOBJQSOQTB-LJQANCHMSA-N 401.576 3.616 0 50 HHAA Cc1ccc(Cc2sc(NC(=O)CN3CCC(c4ncc[nH]4)CC3)nc2C)cc1 464871924 FILGKNSUNRKEHJ-UHFFFAOYSA-N 409.559 3.892 0 50 HHAA C[C@@H]1C[C@@H](C)CN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)C1 822355303 ZVLLNAWLWXILDJ-IJLUTSLNSA-N 404.873 3.931 0 50 HHAA Oc1nc(-c2cccnc2)nc2c1CC[C@@]21CCCN(Cc2ccncc2Cl)C1 1857726957 GGOUPZCIZVBTPD-JOCHJYFZSA-N 407.905 3.773 0 50 HHAA O=C(NCc1nnc2cccnn12)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 1875262663 RBYCSRTXCJUEQO-UHFFFAOYSA-N 415.350 3.879 0 50 HHAA Cc1cc(-c2cc(=NC(=O)Nc3cc(F)c(Br)c(F)c3)[nH][nH]2)ccn1 1875353387 QVLRHFWRAJYVTH-UHFFFAOYSA-N 408.206 3.887 0 50 HHAA Cc1cc(C(=O)N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)c2cc(Cl)ccc2n1 2356140671 ODJWWPSUOVQPOM-JOCHJYFZSA-N 407.905 3.519 0 50 HHAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4cnn(C)c4C)c3n2)cc1 815337 CLZOPXZCDMGEKI-UHFFFAOYSA-N 424.455 3.956 0 50 HHAA CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1108596 VCNHMTVAMVCWBG-UHFFFAOYSA-N 409.349 3.522 0 50 HHAA C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1 1147049 OZKBKTTYBZBWDR-KRWDZBQOSA-N 416.543 3.554 0 50 HHAA CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 1149203 JQMDSICZHXXTME-HNNXBMFYSA-N 401.846 3.518 0 50 HHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)Nc1ccccc1 1196235 NYFKFHUEHQYNQP-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)c(C)c1 4756667 JAVIZQRATKEUJX-MRXNPFEDSA-N 422.934 3.666 0 50 HHAA CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(Br)c3)sc2c1 9012892 VJRZIESEIYZYNA-UHFFFAOYSA-N 411.302 3.715 0 50 HHAA CN(Cc1cnc2ccccn12)C(=O)CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 11784594 IHGKFJRFIQGYJI-QHCPKHFHSA-N 424.932 3.618 0 50 HHAA COc1ccc(CNCc2ccc(Cl)s2)c(OC[C@H](O)CN2CCCC2)c1 12027889 HAPBVQXNBMUOIG-MRXNPFEDSA-N 410.967 3.535 0 50 HHAA Cc1ccc2nc([C@H]3CCCN3Cc3nc(-c4ccc5c(c4)OCO5)no3)[nH]c2c1 12303278 JMJMLCAQTXXIFX-QGZVFWFLSA-N 403.442 3.987 0 50 HHAA O=C1NCCN(Cc2cccc(Oc3ccccc3)c2)[C@H]1CC(=O)N1CCCCCC1 12472490 GJUBZYVKJNNTRN-QHCPKHFHSA-N 421.541 3.572 0 50 HHAA O=C(NCc1ccco1)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 17090653 GTUFFAQCMFLGQJ-KBPBESRZSA-N 416.499 3.589 0 50 HHAA COc1ccc(-c2nnc(S[C@H]3CC(=O)N(c4cccc(C)c4C)C3=O)[nH]2)cc1 18137152 ISZTYBAUNHWEJK-KRWDZBQOSA-N 408.483 3.521 0 50 HHAA Cn1nc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c2ccccc21 169753598 WBDUVVNENJSOER-KRWDZBQOSA-N 418.476 3.501 0 50 HHAA C[C@H]1CN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC[C@@H]1O 170601351 KIMNCKUWRUWSDY-HZMBPMFUSA-N 421.341 3.753 0 50 HHAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2CCCN(c3nc(Cl)nc4nc[nH]c34)C2)C1 245255069 FIDDQKRUIGHSCP-DGCWBMGLSA-N 416.957 3.650 0 50 HHAA O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCCC[C@H]1c1nc2ccccc2s1 257364953 LOYNAKXBMJBQPO-OALUTQOASA-N 420.538 3.944 0 50 HHAA Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)n[nH]1 434963359 QKNJRHPGPQVFIU-UHFFFAOYSA-N 404.451 3.905 0 50 HHAA COc1ccc(-n2cccn2)c(CNC2CCN(C(=O)c3ccc(C)cc3)CC2)c1 952970504 CXJPIKCKRNGWBC-UHFFFAOYSA-N 404.514 3.584 0 50 HHAA O=C(c1cscn1)N1C[C@@H]2CN(Cc3nccs3)C[C@]2(CCc2ccccc2)C1 1772811745 XZTAEOPABFKRDL-PGRDOPGGSA-N 424.595 3.807 0 50 HHAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3c[nH]c4ccc(O)cc34)CCCCC2)o1 1857526754 WSFNUBLQPRVLED-UHFFFAOYSA-N 424.497 3.792 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(Cc3nc(C(C)(C)C)cs3)CC2)C1 1875372094 WIAUZJYWSXDRAW-QGZVFWFLSA-N 403.592 3.646 0 50 HHAA C[C@@]1(c2noc(-c3cc(C4CC4)nc4c3cnn4Cc3ccncc3)n2)CCCO1 1875391871 LMYBDXXNHAFPHJ-QFIPXVFZSA-N 402.458 3.828 0 50 HHAA O=C(O)[C@H](NC(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21)c1ccc(F)c(F)c1 2325877397 QEVFGTLPKRJJAP-WBQNTZJQSA-N 422.225 3.555 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4[nH]c(C)nc4C)C3)[C@@H]3CCCCN23)c1 2356159321 VREIWJLIRGVDHJ-VAPSRWTKSA-N 422.573 3.593 0 50 HHAA Cc1cc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(C(C)C)cc1Br 674701 PHDJPEKVPMHGGV-UHFFFAOYSA-N 405.292 3.997 0 50 HHAA CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccccc2)cc1 912621 ZAKGXJOGDWYFDC-UHFFFAOYSA-N 416.543 3.539 0 50 HHAA COC(=O)c1ccccc1NC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21 2827588 GTILSHNQGBVYJE-UHFFFAOYSA-N 404.344 3.812 0 50 HHAA CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccccc2)cc1 4157309 FKSQMMDHGLWYJL-UHFFFAOYSA-N 411.454 3.788 0 50 HHAA CN(CCOc1ccccc1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12200561 WLCQJDLZVOUMJD-UHFFFAOYSA-N 422.525 3.617 0 50 HHAA COc1ccc(C2(C(=O)N3CCC(=O)N(Cc4ccccc4F)CC3)CCCC2)cc1 12244884 AYFAGMIUNYSWRD-UHFFFAOYSA-N 424.516 3.907 0 50 HHAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc3c(C)c(C)[nH]c23)CN1Cc1cccc(C)c1 14972959 WYNJLIQVNCNHRM-KNQAVFIVSA-N 419.525 3.639 0 50 HHAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 17012194 KUWALPZXYIRPKP-UHFFFAOYSA-N 417.916 3.530 0 50 HHAA COC(=O)c1c(NC(=O)CSc2nccn2C)sc(C)c1-c1ccccc1 17082247 ISBGNCVJQCYKBI-UHFFFAOYSA-N 401.513 3.974 0 50 HHAA OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CCN1Cc1ccsc1 22919382 QCDPANCERHKOSZ-HXUWFJFHSA-N 404.963 3.746 0 50 HHAA c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1 98208742 XSMSNFMDVXXHGJ-UHFFFAOYSA-N 411.469 3.853 0 50 HHAA investigational C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc(COCC(F)(F)F)cc1 170612376 JVDQDFNBFAMYFK-KGLIPLIRSA-N 418.456 3.931 0 50 HHAA COc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239090994 HOMHFMIPIGNPOE-NSZLKXBBSA-N 414.461 3.505 0 50 HHAA O=C(NCc1cccc(C(F)(F)F)c1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263618679 UYMRMMGOMACJDC-KRWDZBQOSA-N 420.366 3.638 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(O)(Cc4ccccc4)CC3)cc2)n1 825286516 ZZQLRQIMUFLETH-UHFFFAOYSA-N 403.526 3.758 0 50 HHAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCc2nc[nH]c2[C@H]1c1ccncc1 827972399 CATCCXBNAWIJBA-OAQYLSRUSA-N 407.905 3.846 0 50 HHAA O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cncnc1)C2 1857698699 DVGYMBQCFMRTPC-OCYIUTNCSA-N 412.537 3.713 0 50 HHAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCC4(C(C)C)CC4)CC3=O)sc2c1 1857736696 WVGCLVDKPRDQKL-AWEZNQCLSA-N 401.532 3.600 0 50 HHAA COc1ccc(Br)cc1C1(NC(=O)Nc2nc3nccnc3s2)CC1 1875328946 URHLIPCZOJHLPU-UHFFFAOYSA-N 420.292 3.668 0 50 HHAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n[nH]1 2325822959 ZDWODXSQKDFOJY-UHFFFAOYSA-N 413.909 3.764 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)CCc3nc4ccccc4[nH]3)C2)[C@@H]2CCCC(=O)N12 2356161719 GPVBXOWWSRTMSL-JWWGGVBKSA-N 408.546 3.524 0 50 HHAA CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 755022 AQOWVFPEQRDLFG-UHFFFAOYSA-N 403.485 3.595 0 50 HHAA CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccco2)cc1 1015265 OBWUBZQDMVXLNO-UHFFFAOYSA-N 418.902 3.829 0 50 HHAA CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)c1 1050292 ZGGTWLYUHRIHDZ-UHFFFAOYSA-N 416.474 3.512 0 50 HHAA Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1 1162803 ZRPXIFYLJILUPP-UHFFFAOYSA-N 404.422 3.963 0 50 HHAA CCOC(=O)c1c(NC(=O)c2ccc(OCC(C)C)cc2)sc(C(N)=O)c1C 1218774 WEVQQYDZRUUGLJ-UHFFFAOYSA-N 404.488 3.619 0 50 HHAA Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=O)c1 4738779 GDPFHFYLSBDNQS-NRFANRHFSA-N 414.465 3.756 0 50 HHAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1cnn(C)c1 6595194 XEXQMUQWVICTJH-UHFFFAOYSA-N 400.529 3.812 0 50 HHAA COc1cc(SC)ccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 8973863 VUJQOMJCUZGRGH-UHFFFAOYSA-N 408.526 3.683 0 50 HHAA CN(C(=O)CC1=CSC2=NCCCN12)[C@H]1CCCN(CCCc2ccccc2)C1 11844151 OYZKSWRYDBSIRJ-FQEVSTJZSA-N 412.603 3.582 0 50 HHAA COc1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)ccc1OC1CCN(C)CC1 12387803 LURCTNDLPHTZBX-IBGZPJMESA-N 423.435 3.597 0 50 HHAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12469439 NPNVNERTKLBKKJ-LJQANCHMSA-N 410.518 3.514 0 50 HHAA CN1CCC(N(C)Cc2cccc(OC[C@@H]3CCCN(C(=O)C4CCC4)C3)c2)CC1 14994832 NLFFEDKZIDTECK-OAQYLSRUSA-N 413.606 3.630 0 50 HHAA COc1ccccc1OCC(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1cc(C)cc(C)c1 14995314 GUGYXNDRCWIHEO-FQEVSTJZSA-N 422.525 3.958 0 50 HHAA CN(Cc1ccnc2ccccc12)Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn12 63833345 VOQLGLVTRMIPHX-UHFFFAOYSA-N 407.905 3.870 0 50 HHAA COC(=O)c1ccccc1Oc1ccc(I)cc1C(=O)OC 72232898 XPFMPAVNFWOMSR-UHFFFAOYSA-N 412.179 3.657 0 50 HHAA CC(C)C1CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 82108347 OREGTQIBNICXQW-HSZRJFAPSA-N 412.622 3.653 0 50 HHAA COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100510959 AJAPTWKTHVPRHV-VSKRKVRLSA-N 418.424 3.885 0 50 HHAA COC(=O)[C@](C)(NC(=O)COc1ccc(C(C)=O)cc1)c1ccc(Cl)c(Cl)c1 170599529 VFMKQFNSQJFSQY-HXUWFJFHSA-N 424.280 3.779 0 50 HHAA C[C@@H]1CCSCCN1c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 225633761 AQBYSIUWJSQQKJ-SNVBAGLBSA-N 404.845 3.632 0 50 HHAA COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239433950 YUIOLTJERQAJEI-VHJGLBCBSA-N 414.461 3.505 0 50 HHAA O=C(N=c1cc[nH]cc1)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)cc1 486287346 YFFIKRHSKICPAF-IAGOWNOFSA-N 411.914 3.891 0 50 HHAA CCN1CCN(CCOc2ccccc2CN(C)Cc2cccc3cnccc23)CC1 952971074 RGRNRVFYQLZURI-UHFFFAOYSA-N 418.585 3.883 0 50 HHAA Cc1c(C(=O)OCc2nnc(-c3ccccc3O)o2)cnn1-c1ccccc1Cl 1875338959 RHFUWXPTDZSQQU-UHFFFAOYSA-N 410.817 3.947 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)C1 1875371491 CSDWKFAKVJUPBF-HKUYNNGSSA-N 419.363 3.797 0 50 HHAA CN1CCOc2ccc(Nc3ncnc4sc(I)cc34)cc21 2325840287 WRKNTNDBDAKJHZ-UHFFFAOYSA-N 424.267 3.868 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 2325884075 FGKUGEHLFKSIJS-QGZVFWFLSA-N 409.299 3.676 0 50 HHAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 853931 HDWVVZKNCFAWCI-RBBKRZOGSA-N 422.481 3.616 0 50 HHAA biogenic C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 1125584 YUOBYSBUSXEGJC-ZFWWWQNUSA-N 408.955 3.835 0 50 HHAA COc1cc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCCC4)cc(OC)c1OC 1134608 AIEVXOBTXSGITQ-UHFFFAOYSA-N 410.422 3.917 0 50 HHAA biogenic CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2c(OC)cccc2OC)c1 2849404 RWZWSQPLGFZKBW-UHFFFAOYSA-N 421.906 3.833 0 50 HHAA O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(C(=O)c2ccccc2)cc1 5028230 BHFDYQGZZCNQOH-UHFFFAOYSA-N 412.445 3.830 0 50 HHAA Cc1cc(=O)oc2ccc(OCCCC(=O)N3CCN(c4ccccc4)CC3)cc12 5570557 WQTRLQSANJHFJX-UHFFFAOYSA-N 406.482 3.609 0 50 HHAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H](N(C)Cc4ccccc4)C3)[nH]n2)cc1 11664409 YJRDDGGLZWNEDX-HXUWFJFHSA-N 404.514 3.822 0 50 HHAA CC[C@H]1CN(CCNC(=O)CCCc2cccs2)Cc2cc(OC)ccc2O1 12056687 UHCJQINAAMXHIT-SFHVURJKSA-N 402.560 3.869 0 50 HHAA Cc1cc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c2cc(F)cc(F)c2n1 12324498 OKZBCPRVLXDISL-UHFFFAOYSA-N 417.437 3.514 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2csc(C)n2)C1 12590621 CVKZYZUOFQSJOV-FQEVSTJZSA-N 408.470 3.758 0 50 HHAA COc1ccc(CC(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)cc1OC 12702166 JHUQQNTWLZEQLJ-JOCHJYFZSA-N 410.558 3.802 0 50 HHAA COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)c(OC)c1 16972535 WAYMCUKYQGOMOK-FQEVSTJZSA-N 411.527 3.752 0 50 HHAA O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2sccn12 20509575 CXEWNDOIBKWAKM-UHFFFAOYSA-N 416.550 3.663 0 50 HHAA CCc1ccccc1OCCN1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 91575057 LQLWYTBNHVJQQZ-NRFANRHFSA-N 400.563 3.511 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO 104415854 RYBJXWMGSWQGKJ-HSZRJFAPSA-N 420.557 3.544 0 50 HHAA CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3c(O)cccc32)ccc1C 170611451 ALYCNKRMHPXULS-LJQANCHMSA-N 416.543 3.539 0 50 HHAA C[C@H](NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 221958972 UCPUWLAPRNNDTK-LUWPNMLLSA-N 415.574 3.582 0 50 HHAA O=C(CN1CCCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 229981421 HSNVOWSBKITEMX-PZJWPPBQSA-N 406.448 3.994 0 50 HHAA O=C(NCc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 390826878 CMDLPOPJXJYAMB-XFGYDDDFSA-N 409.530 3.520 0 50 HHAA biogenic C=CC(=O)Nc1cc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)ccc1F 758282669 SNJRPYCANXZKGP-UHFFFAOYSA-N 406.417 3.574 0 50 HHAA Cn1c(N2CCN(C(=O)Cc3ccc4c(c3)CCC(C)(C)O4)CC2)nc2ccccc21 952962078 WMGBVXSAQFTFTJ-UHFFFAOYSA-N 418.541 3.568 0 50 HHAA Cc1nccn1Cc1ccccc1NC(=O)CCCc1nc(-c2ccncc2)no1 952987910 OQLYRBZGUBVUBL-UHFFFAOYSA-N 402.458 3.646 0 50 HHAA CC(C)(C)[C@H]1CN(C2CCN(C(=O)c3cnccn3)CC2)C[C@@H](c2ccccc2)O1 1875245759 PHGYABAIYGORFU-FCHUYYIVSA-N 408.546 3.569 0 50 HHAA O=C(CCSc1ccnc2cc(Cl)ccc12)NCc1nc(-c2cccnc2)n[nH]1 1875264194 YWRFNNVCJPWDKY-UHFFFAOYSA-N 424.917 3.867 0 50 HHAA Cc1cccc(Cn2[nH]cc/c2=N\C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 1875340685 MYOZLRCNTYYPJP-XIEYBQDHSA-N 411.918 3.922 0 50 HHAA COC1(c2ccc(C(=O)NCc3noc(-c4ccccc4)c3C)cn2)CCOCC1 2325819177 YPUNYYWRKNLDLF-UHFFFAOYSA-N 407.470 3.627 0 50 HHAA N[C@@H](CCc1c[nH]nc1C(F)(F)F)C(=O)NC1(c2ccc(Cl)cc2)CCC1 2325829664 PAHGMNIKUFHNEA-AWEZNQCLSA-N 400.832 3.537 0 50 HHAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@H](C)O[C@@H](C)C4)c3n2)cc1 815335 SZWJXPWLCXWQRE-KBPBESRZSA-N 400.429 3.892 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cccn4C)C3)[C@@H]3CCCCN23)c1 2356160374 PKCZVACVEDGUQQ-RDCABSMISA-N 407.558 3.591 0 50 HHAA COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccs1 2862024 SRTBXZRPHDHTRR-UHFFFAOYSA-N 401.469 3.729 0 50 HHAA CCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc2ccccc2c1 2869092 BHINSVQIXSTQIB-UHFFFAOYSA-N 400.544 3.857 0 50 HHAA CC[C@H](C(=O)NC1CCCCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 6944386 LRNFEKRJDSXNBJ-LJQANCHMSA-N 407.518 3.599 0 50 HHAA O=C(C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1)N1C[C@H]2CC[C@H]1C2 102361328 FORWTYFDUIDMKY-DHLKQENFSA-N 409.618 3.807 0 50 HHAA CCOc1ccc(-c2nc(CN3CCNC(=O)[C@H]3Cc3ccccc3)c(C)o2)cc1 39445355 HVFYYGFVMMZLAP-JOCHJYFZSA-N 405.498 3.592 0 50 HHAA COc1ccc2c(ccn2CCC(=O)N[C@H](CCSC)c2nnc3ccccn23)c1 223238566 AUGWSWASAVCWHW-GOSISDBHSA-N 423.542 3.693 0 50 HHAA COc1ccc(C(=O)NCCc2ccc(C)o2)cc1OC1CCN(C(C)C)CC1 95503196 BVNROKRLGWAAJS-UHFFFAOYSA-N 400.519 3.821 0 50 HHAA C[C@@H]1C[C@H](c2cccnc2)N(C(=O)COc2ccc(I)cc2)C1 170594671 AWPYDMKHJFQTIN-CXAGYDPISA-N 422.266 3.675 0 50 HHAA CS(=O)(=O)NCCc1ccc(-c2csc(-c3c(F)cccc3F)n2)s1 170597900 VSRWNRBABXJIBP-UHFFFAOYSA-N 400.497 3.909 0 50 HHAA COc1ccc2c(C)c(C(=O)N3C[C@H](O)[C@H](Cc4ccnc5ccccc45)C3)oc2c1 1529145485 ADDBRXBCGPRWMJ-VGSWGCGISA-N 416.477 3.974 0 50 HHAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@H]3CC(Cc4ccccc4)=NO3)c2)n1 11872569 KXPRMAKMPYHZGG-HSZRJFAPSA-N 402.498 3.835 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 12192846 IYFUYGMCDZTTEV-NRFANRHFSA-N 420.532 3.952 0 50 HHAA COC(=O)c1c(NC(=O)c2ccco2)c2cc(NCc3cccc(F)c3)cnc2n1C 14532276 XFNOTOBPDRTNSC-UHFFFAOYSA-N 422.416 3.956 0 50 HHAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)CN1C(C)C 14958680 QOPDYSOHECMASY-MBSDFSHPSA-N 417.509 3.656 0 50 HHAA Cc1nonc1CNC1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 14982030 QGIUHNBAXNMMPL-QGZVFWFLSA-N 419.529 3.628 0 50 HHAA CC[C@@H]1CCCCN1C(=O)c1cn(CC(C)C)cc(C(=O)NC2CCCC2)c1=O 15007774 GJFSCVJLYDZGDB-GOSISDBHSA-N 401.551 3.581 0 50 HHAA Cc1ccc(F)cc1CNC(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 15072927 SRLWYKZWFZQVEE-QGZVFWFLSA-N 402.897 3.885 0 50 HHAA Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccccc4Cl)ccn3n2)c1 169775938 KQESKYNPEMUEOZ-UHFFFAOYSA-N 420.900 3.863 0 50 HHAA COc1cc2c(cc1-c1nccn1Cc1ccc(C(=O)N3CCCC3)cc1)OCCO2 1857689861 ZSHZPSNYMSZKNO-UHFFFAOYSA-N 419.481 3.614 0 50 HHAA O=C(c1c[nH]nc1C1CCCCC1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1857712404 ALAGOKHDFFAGGH-ICSRJNTNSA-N 403.910 3.685 0 50 HHAA CCC(=O)N[C@H](C(=O)N[C@H](CC)[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 1875263102 KRNWTMAZEQJLTH-HOJAQTOUSA-N 422.447 3.901 0 50 HHAA CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)COC3CCCCC3)[C@@H]2C1)c1ccccc1 1875336912 PATRGBBSQFMIGB-FJIJXJHWSA-N 412.574 3.835 0 50 HHAA NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1ccc(F)cc1 1059961 QXDMFVGKSQNRKR-FQEVSTJZSA-N 408.498 3.944 0 50 HHAA CN1C(=O)c2ccc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)cc2C1=O 864359690 YXOWQFGDEGTXJT-UHFFFAOYSA-N 408.417 3.775 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccccc2)cc1C 2885220 DVMVVCGOTUNMAS-UHFFFAOYSA-N 424.522 3.833 0 50 HHAA CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cc(C(C)C)[nH]n3)CC2)[C@H]1OC 11882515 GGGLEMJGRCBNDF-PKTZIBPZSA-N 410.562 3.663 0 50 HHAA Cc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)[nH]c(=O)c1CCO 11905689 IUBKLBXIVFFSTB-UHFFFAOYSA-N 403.548 3.591 0 50 HHAA COCCC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 12205767 XGGAMHRHVXOIHP-UHFFFAOYSA-N 407.470 3.708 0 50 HHAA CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccnc3)cc2Cl)CC1 12382082 ANHAFIPLRDZBJJ-UHFFFAOYSA-N 400.910 3.682 0 50 HHAA Cc1cc(C(=O)N(CC2CCN(Cc3ccccc3C)CC2)C[C@@H]2CCCO2)no1 12758781 VESKWDDISBVSBC-QFIPXVFZSA-N 411.546 3.825 0 50 HHAA CSc1nc(NC(=O)c2cc3nccc(-c4ccc5ccccc5c4)n3n2)n[nH]1 13644384 IWUGJJWIJPLMGM-UHFFFAOYSA-N 401.455 3.642 0 50 HHAA CC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccn3)CC2)C1=O 14740910 GXFRDZKDZXAGPS-UHFFFAOYSA-N 420.557 3.579 0 50 HHAA Cc1cnc(CN[C@@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)cn1 15071094 QRJHFUKJIFEOHL-QGZVFWFLSA-N 423.586 3.784 0 50 HHAA CCc1cc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)on1 15078659 DDGRJVPSJRJALP-UHFFFAOYSA-N 420.513 3.605 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C)c3)n2)ccc1C 16625245 RVDSBMRNNQVHNG-MRXNPFEDSA-N 404.470 3.685 0 50 HHAA COc1ccccc1NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 18088194 UEMPDZMJAHODDO-UHFFFAOYSA-N 415.540 3.744 0 50 HHAA Cc1c(C)n(-c2nc3ccccc3s2)c2ncnc(NCCCN3CCOCC3)c12 20648880 WEDXRHNUGJUMSU-UHFFFAOYSA-N 422.558 3.781 0 50 HHAA O=C1N[C@H](c2cccs2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 101249973 FPEQHSJHBCNENB-YWPYICTPSA-N 404.797 3.505 0 50 HHAA Cc1csc([C@@](O)(CC(=O)N2CCC(c3ccc(O)cc3)CC2)C(F)(F)F)n1 144823914 CCCKGSNUBNLRHS-SFHVURJKSA-N 414.449 3.703 0 50 HHAA O=C(N[C@@H]1CCCN(c2cc(-c3ccccc3)n[nH]2)C1)c1ccc(Br)o1 169753314 ZPUCZEOVYPGJCT-CQSZACIVSA-N 415.291 3.831 0 50 HHAA O=C(COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1)c1ccc(F)cc1 239339054 LQCKGNBDIKFRTN-PWCQDKJGSA-N 417.436 3.645 0 50 HHAA COC[C@](C)(NC[C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)c1ccccc1 252493899 NGBKYQCQZOFVHC-YKSBVNFPSA-N 413.562 3.916 0 50 HHAA Fc1cccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc5c(c3)OCO5)OC4)n2)c1 263617058 LWOFQEQKAGFNTE-LJQANCHMSA-N 406.373 3.739 0 50 HHAA CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(F)cc(Br)c2F)CC1 1291586722 XPJXHOFMVHNQMC-UHFFFAOYSA-N 419.266 3.857 0 50 HHAA C[C@H]1CCCN(S(=O)(=O)c2ccc3nc(NC(=O)c4ccccc4)sc3c2)C1 1775975833 GPVRUMYZPJBTJU-AWEZNQCLSA-N 415.540 3.969 0 50 HHAA O=S(=O)(Nc1cccc(Cl)c1)c1cccc(-c2nc(Cc3ccno3)no2)c1 2325735994 WFPFWSCLAILCBM-UHFFFAOYSA-N 416.846 3.770 0 50 HHAA CN1C(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c2ccccc21 2325875901 FKBXDLHOQNEPMU-CVEARBPZSA-N 421.280 3.776 0 50 HHAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC2(CC1)OCCc1sccc12 2356165959 LRLXSZRJSZNQQY-UHFFFAOYSA-N 406.511 3.613 0 50 HHAA O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1cccnc1 1110423 MLTZWKNHYGUCPE-HSZRJFAPSA-N 406.869 3.785 0 50 HHAA CC1(C)Cc2nc3sc4c(=O)n(CC(=O)c5ccccc5)cnc4c3cc2CO1 1126343 FRDFWZNQIPQGFN-UHFFFAOYSA-N 405.479 3.740 0 50 HHAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cccc(Oc3ccccc3)c2)C1=O 2356137747 XUOTVVDPYUJNAG-XMMPIXPASA-N 408.498 3.723 0 50 HHAA CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 2835248 ULQTWPURGSQWHC-MRXNPFEDSA-N 413.543 3.827 0 50 HHAA CC(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 2869502 NZXPLOUEAGFVFB-SNVBAGLBSA-N 415.298 3.502 0 50 HHAA O=C1C[C@@H](c2ccc(Oc3ccccc3)nc2)c2ccc(N3CCNC3=O)cc2N1 65529420 LQVMKEAXXRWORE-IBGZPJMESA-N 400.438 3.878 0 50 HHAA CC1(C)OC(=O)C2(Cc3ccc(F)cc3N3CC[C@H](c4ccccc4)C[C@H]32)C(=O)O1 230108304 PSDVLUYEISJPFM-JXFKEZNVSA-N 409.457 3.957 0 50 HHAA COc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)c2)cc1 239438997 ZHDUETSVHPQFSE-PCPGVINSSA-N 414.461 3.505 0 50 HHAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(-c3ccccc3Cl)o1)C2 95372627 TVWHLMRLFXUKIV-LSDHHAIUSA-N 401.894 3.818 0 50 HHAA COc1ncccc1NC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C 263586023 PAXRUTKIEYQYDJ-SFHVURJKSA-N 424.501 3.656 0 50 HHAA biogenic COc1ccc([C@H](CN2CCCC2)NC2CCN(C(=O)OCC(C)C)CC2)cc1 170595422 IIKJLPYIJHMAMQ-QFIPXVFZSA-N 403.567 3.679 0 50 HHAA Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)CCN(C)CC(F)F)c12 170600508 UFTCQDQVPQJGKK-UHFFFAOYSA-N 406.408 3.606 0 50 HHAA Cc1cc(F)cc2[nH]c(C(=O)NCc3ccc(C(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc12 170629547 SCDXQEOGJBXYSI-HZPDHXFCSA-N 423.488 3.795 0 50 HHAA O=C(/C=C/c1ccc2[nH]ccc2c1)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 765646663 CFTGQNHUARPWKW-SOFGYWHQSA-N 412.493 3.576 0 50 HHAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NCC[C@H](C)n2ccnc2)cc1 1704335804 GXCSGYIYXSFABD-INIZCTEOSA-N 409.490 3.528 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CCc1cn2ccccc2n1 11661108 AONUIEUZWSQFJZ-UHFFFAOYSA-N 422.548 3.819 0 50 HHAA COc1cc(CNC(C2CC2)C2CC2)ccc1OC[C@H](O)CN(C)C1CCCCC1 11753897 GDZOQCLKEUBKBW-JOCHJYFZSA-N 416.606 3.978 0 50 HHAA Cc1c(C(=O)NCC2(C)COC2)sc2ncnc(NCCCc3ccccc3)c12 12042639 QXZGDGWVPJGLFO-UHFFFAOYSA-N 410.543 3.811 0 50 HHAA Cc1nc(CC(=O)N[C@@H](C)c2nnc(SCc3ccccc3C)n2C)cs1 14987234 WCENKVUUGAXTSX-ZDUSSCGKSA-N 401.561 3.601 0 50 HHAA Cc1ccsc1C(=O)N[C@H](C)c1nnc(SCCOc2ccc(F)cc2)n1C 14998223 RDJUMBNJLXZVTP-CYBMUJFWSA-N 420.535 3.986 0 50 HHAA CC(C)c1csc(CN2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)n1 15062249 KCMQCZHPFPSHAB-GOSISDBHSA-N 407.605 3.598 0 50 HHAA CN(C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cnsn1 15075190 WHZHYAIEOJYVFB-OAHLLOKOSA-N 412.481 3.584 0 50 HHAA O=S(=O)(c1ccc(-c2ccno2)s1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1875243119 QUMWBKHQKWPUMW-ZWKOTPCHSA-N 416.524 3.944 0 50 HHAA O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(OC(F)(F)F)cc1 1089625 TXDALQIXYJDQQD-UHFFFAOYSA-N 422.384 3.886 0 50 HHAA COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)c1 1171959 KGFNUKHGPBVGEZ-HXUWFJFHSA-N 411.527 3.752 0 50 HHAA CCOc1ccc(-c2nc(-c3cccc(S(N)(=O)=O)c3)cs2)cc1OCC 2332237486 BVWUXTRCRRHTQS-UHFFFAOYSA-N 404.513 3.922 0 50 HHAA Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C 1126864 VVTVNSMQGKNOPF-SFHVURJKSA-N 416.543 3.884 0 50 HHAA Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1c[nH]c2ccccc12 4384772 BESMXTSHGAZESU-UHFFFAOYSA-N 403.511 3.640 0 50 HHAA O=C(O)CSc1nnc(COc2ccc(Br)cc2)n1-c1ccccc1 6474835 SACIEJGYEJKDBG-UHFFFAOYSA-N 420.288 3.786 0 50 HHAA O=C(NC1CC1)[C@H]1CCCN(c2cccc3c2C(=O)N(c2cccc(Cl)c2)C3=O)C1 11782798 DZNQBLIJCQLLKO-AWEZNQCLSA-N 423.900 3.636 0 50 HHAA O=C(NCc1ccncn1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 12302385 YYGIBYBVUGPCCY-UHFFFAOYSA-N 403.389 3.802 0 50 HHAA CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccc(O)cc2)C1 14540353 OSTKRBHOUUXUJR-VQTJNVASSA-N 414.521 3.965 0 50 HHAA COc1ccc(CCN(C)[C@@H]2CCC(=O)N(Cc3ccccc3F)CC2)cc1OC 14955488 JFXOAQYMPNMJFX-HXUWFJFHSA-N 414.521 3.899 0 50 HHAA Cc1c(C(=O)NCc2ccc3ncccc3c2)cnn1-c1nccc(-c2cccnc2)n1 15067092 OVVIJCNMJZULLI-UHFFFAOYSA-N 421.464 3.511 0 50 HHAA CCc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C(N)=O)cc1 17089224 PVFSCEJMKFTQQV-HOTGVXAUSA-N 412.511 3.990 0 50 HHAA Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(-n4cccn4)cc3)C2)CC1 19595658 SCFVVOFWRWKQKG-HSZRJFAPSA-N 419.548 3.798 0 50 HHAA CC(C)Cn1c(CN(C)[C@@H](C)c2ccon2)cnc1S(=O)(=O)Cc1ccccc1 39467013 SBWJRUFHGKBIHN-KRWDZBQOSA-N 416.547 3.694 0 50 HHAA CN(Cc1cccc(Cl)c1)Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F 55211258 VOSJSNUTRYSRGE-UHFFFAOYSA-N 421.925 3.759 0 50 HHAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)n1 67601872 IZKNMROCMOXPMQ-UHFFFAOYSA-N 415.541 3.891 0 50 HHAA CCSCC[C@@H](C)NC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 253392897 KIEJMCBWYRWEAP-HZPDHXFCSA-N 424.611 3.796 0 50 HHAA Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC(c3nc(-c4ccccn4)no3)CC1)CO2 471776607 YFAGULMKCMWVGY-SFHVURJKSA-N 404.470 3.631 0 50 HHAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cc3ccccc3nc1C)CC2 746337881 JAKASPWSWOXBPP-FQEVSTJZSA-N 420.465 3.775 0 50 HHAA Cn1c(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cnc1Cl 765014505 LJXLWGYHHJDPMG-UHFFFAOYSA-N 407.723 3.912 0 50 HHAA CCCc1cc(=O)n(-c2ccc(C(=O)NCc3cc4cc(OC)ccc4[nH]3)cc2)[nH]1 823005662 QEUJTZMITKBGCB-UHFFFAOYSA-N 404.470 3.538 0 50 HHAA COCCCCS(=O)(=O)N1CC(C)(C)[C@@H]1c1nccn1-c1cccc(Cl)c1 952891734 BVHBMZKNGXOUCN-KRWDZBQOSA-N 411.955 3.665 0 50 HHAA CC(C)c1noc(C2CCN(Cc3cccn3S(=O)(=O)c3ccccc3)CC2)n1 952967493 AJVOSARGZVIIRO-UHFFFAOYSA-N 414.531 3.611 0 50 HHAA COCc1cc(=O)c(O)c(-c2[nH]c(-c3ccccc3C(=O)O)nc2-c2ccccc2)o1 1857526673 ROEYKPCMOIRJHT-UHFFFAOYSA-N 418.405 3.914 0 50 HHAA Cc1cccc(N2C[C@@H](c3nc(-c4cc5c(nc4O)CCCC5)no3)CC2=O)c1C 1875359554 IOSBXYQSIMQKEP-INIZCTEOSA-N 404.470 3.853 0 50 HHAA Cc1ccc(S(=O)(=O)Cc2ccccc2)c(CS(=O)(=O)c2ccccc2)c1 641463 VOBVGQRBZKCMKB-UHFFFAOYSA-N 400.521 3.943 0 50 HHAA COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 825689 VMDOOPRAUMMTRM-UHFFFAOYSA-N 410.495 3.525 0 50 HHAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)ccc1OCc1ccccc1 1189894 PVQXZSGMUGWSFP-NRFANRHFSA-N 410.470 3.854 0 50 HHAA CC[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1nnc(C)s1 2189868 YWZYYBXRNGIHIJ-CYBMUJFWSA-N 413.532 3.669 0 50 HHAA Cc1ccc(Cn2nc(C)c(-n3c(S)nnc3[C@@H](C)n3nccc3C)c2C)cc1 2731453 YCFPSDNJIOOQQT-QGZVFWFLSA-N 407.547 3.840 0 50 HHAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1cc(-c2ccccc2)on1)CC[C@H](C)C3 2797099 UMXMZVXEMFGCLJ-LBPRGKRZSA-N 420.494 3.930 0 50 HHAA CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccc2ccccc2c1 4834558 HDFXNSPCMKCJRM-UHFFFAOYSA-N 411.508 3.709 0 50 HHAA Cc1cnc(-n2ncc(C(=O)N[C@@H]3CCOC(C)(C)C3)c2C)nc1-c1ccc(F)cc1 11816185 SMYYNKIPSJNSHQ-GOSISDBHSA-N 423.492 3.773 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@H](NCCc1ccccn1)CC3 11981018 MQCJXOALGNPFKS-LJQANCHMSA-N 416.550 3.591 0 50 HHAA CCn1ncc(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)c1C 12074483 NWWCJIPIUALKEL-UHFFFAOYSA-N 410.562 3.881 0 50 HHAA CCCC[C@@H]1CN(CCC(=O)NCc2cn3ccccc3n2)Cc2ccccc2O1 12244174 JFXLYMAPSWZBQO-OAQYLSRUSA-N 406.530 3.794 0 50 HHAA CN(Cc1ccnc2ccccc12)C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 12308456 AWKRJQNWSYLVNZ-UHFFFAOYSA-N 409.852 3.939 0 50 HHAA CN(CC(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1)Cc1cccnc1 12434743 AYTBKRYPBUHCTP-QHCPKHFHSA-N 401.510 3.788 0 50 HHAA COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCCN(C(C)=O)CC2)c1 12716680 AQOYTGDADHJKBF-UHFFFAOYSA-N 404.514 3.602 0 50 HHAA COC(=O)c1c(NC(C)=O)c2cc(N[C@@H](C)CC(C)(C)O)cnc2n1CCC(C)C 14537326 MVQXTZITGNCASD-AWEZNQCLSA-N 418.538 3.789 0 50 HHAA COCCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(O)cc3)nc21 20605210 RBYGYWUBMDZYIH-UHFFFAOYSA-N 411.405 3.882 0 50 HHAA Cc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4cnn(Cc5ccccc5)c4)C(=S)N32)cc1 20606289 CSFONXPSIMLRBX-CTNGQTDRSA-N 420.563 3.988 0 50 HHAA CN(Cc1ncc[nH]1)c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1 67740732 IXBPBSDMAIGNQR-UHFFFAOYSA-N 403.530 3.926 0 50 HHAA CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCN2C3=O)c1 169766552 MFCLEXKVVSREIU-FQEVSTJZSA-N 407.470 3.518 0 50 HHAA COc1ccc(C(=O)C[C@H](C)C(=O)OC[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 170617305 XNMTUYKQFSZDID-ICSRJNTNSA-N 423.509 3.539 0 50 HHAA O=C(NCCN1C(=O)CCC1=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 170639027 PVXYONNSVZXRGN-UHFFFAOYSA-N 409.244 3.678 0 50 HHAA Cc1noc(C2CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)c3ccccc3)CC2)n1 225521996 VLWSBPTXSYSKFF-JOCHJYFZSA-N 414.506 3.524 0 50 HHAA O=C1CCc2cc(C(=O)NC3(c4noc([C@H]5CCCO5)n4)CCCCCC3)ccc2N1 437023460 WNAUEEKBZQACEE-GOSISDBHSA-N 424.501 3.785 0 50 HHAA COc1cc(SC)c(OC)cc1CN1CCC[C@@H](CNC(=O)c2ccco2)C1 824577538 AGHOLMQIRDMOPT-HNNXBMFYSA-N 404.532 3.661 0 50 HHAA O=C(N[C@H]1COc2c(F)cc(F)cc2C1)N[C@H]1c2ccccc2CC12CCOCC2 1263715869 KVSTYVKBYIYLGB-UTKZUKDTSA-N 414.452 3.662 0 50 HHAA COc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 1857718924 AGNHZILUICBWOZ-GOSISDBHSA-N 411.527 3.581 0 50 HHAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCC1(CO)CCCC1 1857730753 VYWSITJHSZAKPZ-OAHLLOKOSA-N 405.926 3.757 0 50 HHAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)Cc2ccc3ncsc3c2)CC1 1875383582 ZUFKNDGVTVYUHY-UHFFFAOYSA-N 419.550 3.701 0 50 HHAA COCc1n[nH]c(NC(=O)[C@@H]2CC(=O)OC23CCCC3)c1-c1ccc(Cl)cc1 2100483245 FDKURTFTXZFELR-AWEZNQCLSA-N 403.866 3.691 0 50 HHAA COc1cc(C2(C(=O)N[C@@H]3CCN(C(=O)c4ccc(F)cc4)C3)CC2)ccc1Cl 2325829543 MJOJCCYAEDRZGL-QGZVFWFLSA-N 416.880 3.550 0 50 HHAA CCCCn1nc(CC(C)C)c2c(N3CCC[C@@H](CCC(=O)NC)C3)ncnc21 2356168719 CLEHTYAOFAYKNN-KRWDZBQOSA-N 400.571 3.568 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2cc(C)cc(C)c2)cc1 655769 PYMRWGLEKVBAKK-UHFFFAOYSA-N 412.511 3.717 0 50 HHAA COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 741747 UMLUUTMYAMZQIN-QFIPXVFZSA-N 424.522 3.532 0 50 HHAA CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 827307 UCSIATKRJMOHFN-CQSZACIVSA-N 401.260 3.643 0 50 HHAA O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccc(OC(F)(F)Cl)cc1 1428987 JFHFZBFOQIJBNY-UHFFFAOYSA-N 414.199 3.800 0 50 HHAA COc1cc(CNC[C@H]2CCCO2)cc(Br)c1OCc1cccnc1 4942943 CIQWPSUGWIIBGU-MRXNPFEDSA-N 407.308 3.700 0 50 HHAA Cc1nc(CC(=O)N2CC[C@@]3(CCCN(Cc4cccc(F)c4F)C3)C2)cs1 11708402 CZNUMMIWCRVWRT-OAQYLSRUSA-N 405.514 3.787 0 50 HHAA COc1ccc(/C=C/C(=O)N(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1OC 11815887 KLOLXUPXDLHSIL-SDNYCIMKSA-N 420.553 3.807 0 50 HHAA COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccccc2n1 12121907 HTKOQHKZUIWZEQ-KXBFYZLASA-N 407.857 3.527 0 50 HHAA O=C1C[C@@H](C(=O)NC[C@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)c2ccccc21 14984696 WDCBFRIUJLFSAA-VQIMIIECSA-N 402.425 3.678 0 50 HHAA COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@@H](N1CCCCC1)C3 14988906 YHLBYIIULYRIQW-QGZVFWFLSA-N 409.555 3.858 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCCN(C(C)=O)CC2)cc1 15069819 HDEYJYJSCSCIAP-UHFFFAOYSA-N 422.504 3.741 0 50 HHAA Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)NC1CC1 17090238 COLHCVDOZBQLTR-UHFFFAOYSA-N 415.346 3.504 0 50 HHAA CCN(CC)C[C@@H](O)COc1cc(CNCCc2ccccc2Cl)ccc1OC 23398295 BJNFOZXTFVSSCC-HXUWFJFHSA-N 420.981 3.762 0 50 HHAA CCOc1ccccc1NC(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1 72437849 QIMYVCYJENKXRK-UHFFFAOYSA-N 424.549 3.528 0 50 HHAA Cc1noc(CN(C)C(=O)Cc2c3c(n(CC(C)C)c2C)CC(C)(C)CC3=O)n1 95528297 GQTCINLFOGZBSX-UHFFFAOYSA-N 400.523 3.500 0 50 HHAA O=C(CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1cccc(Cl)c1 95532286 WAWVIIFWOPJXDB-OAHLLOKOSA-N 409.294 3.997 0 50 HHAA Cc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 100277549 IJARUQSMIBNICS-INIZCTEOSA-N 406.866 3.791 0 50 HHAA COc1ccc(-c2noc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3C)C4)n2)cc1 169758519 QEPTZGWCGJJDLE-LJQANCHMSA-N 403.442 3.892 0 50 HHAA O=C([C@@H]1COc2ccccc2O1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 170622644 OSWSQQPQCGUXCE-ROUUACIJSA-N 412.244 3.872 0 50 HHAA CC[C@@H](C)[C@H](CO)NC(=O)CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OC 230206936 JJRQGLSACBUHNQ-IERDGZPVSA-N 423.509 3.924 0 50 HHAA biogenic CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 239433009 XBZSCIBRZGZFEJ-BRJGLHKUSA-N 406.548 3.810 0 50 HHAA Cc1c(N2CC[C@H](OCCCc3ccccc3)C2)nn2c(C(F)(F)F)nnc2c1C 434948741 ZHIJJJQUZASUCC-KRWDZBQOSA-N 419.451 3.988 0 50 HHAA COC[C@@H](C)NC(=S)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 731493205 WBZRTQFSPVBOLE-MRXNPFEDSA-N 412.559 3.907 0 50 HHAA O=C(NC[C@H]1CCCN1C(=O)c1cc(Cl)c(Cl)[nH]1)c1cc(Cl)c(Cl)[nH]1 749373934 KNOZELYANAEVGP-SSDOTTSWSA-N 424.115 3.991 0 50 HHAA O=C(CSCc1ccc(Cl)cc1Cl)N[C@H](CO)C[C@H](O)c1ccccc1 770836754 UHTXACQPWYOJIL-WMZOPIPTSA-N 414.354 3.827 0 50 HHAA COc1ccc2cc1OCCCCN(CC(=O)O)CCc1c([nH]c3ccccc13)C2 1857698736 GLLROTUDYYNYMJ-UHFFFAOYSA-N 408.498 3.869 0 50 HHAA Cc1ccn2cc(C(=O)N3CCC4(CC3)C[C@@H](O)C[C@H](c3ccccc3)O4)nc2c1 1857700794 HOMKGOQFLKIRDO-PZJWPPBQSA-N 405.498 3.530 0 50 HHAA O=S(=O)(c1cccnc1C(F)(F)F)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1875246650 DMZBRMZPPVDGRO-JKSUJKDBSA-N 412.433 3.641 0 50 HHAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 1875261764 SQAUZTZTXYAUPX-UHFFFAOYSA-N 416.481 3.711 0 50 HHAA C[C@H]1C[C@H](N(C)c2ncnn3c(Br)ccc23)CCN1Cc1ccccc1 1875405633 KVOYAPCQANYCKN-DOTOQJQBSA-N 414.351 3.981 0 50 HHAA C[C@H]1CC[C@@H](NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)C(=O)N1 2325823506 VOLPZCBMUILPRL-RNODOKPDSA-N 411.452 3.829 0 50 HHAA C[C@H](c1ccccc1)[C@@H](NC(=O)C[C@@H]1CCc2cc(Br)ccc21)C(N)=O 2325876806 BRBSTRPADYXBAI-JOTOCRJQSA-N 415.331 3.643 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(S(=O)(=O)c3cccc(Cl)c3)C2)[C@@H]2CCCC(=O)N12 2356147366 SURGNENTFFWDST-QXGSTGNESA-N 410.967 3.530 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Br)cc2)cc1 1111714 OAMZMNKZXSKQNI-QGZVFWFLSA-N 423.332 3.549 0 50 HHAA CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)cc1Br 2998937 QTJNITDDXKVCJW-UHFFFAOYSA-N 423.288 3.673 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(Cc2cnc(N(C)C)s2)C1 20914805 WVYJJENTWPOEOL-QFIPXVFZSA-N 401.576 3.906 0 50 HHAA Brc1cc(I)c(I)s1 4099266 ZREOCXYPLKJSIH-UHFFFAOYSA-N 414.831 3.720 0 50 HHAA CC(=O)N(C)c1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)cc1 328606972 UITMGTIYDITSLP-XZOQPEGZSA-N 418.497 3.630 0 50 HHAA CCOc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cc(C)ccc3n2)cc1 20176984 LGEYHGWBUGNYIP-UHFFFAOYSA-N 419.525 3.671 0 50 HHAA COc1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239164772 MWIXYJCPLHLNDZ-NEEVBFIGSA-N 414.461 3.505 0 50 HHAA O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1)c1ccccc1F 239164778 MWQSPSIHKHYIBI-RFZWDSQWSA-N 403.409 3.602 0 50 HHAA CSc1ccc2cc(CNCC3(O)CCCCC3)c(N3CCOCC3)nc2c1 299799833 UIWZEPQCEVRZMI-UHFFFAOYSA-N 401.576 3.578 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)Cc1cc(-c2cccnc2)no1 952987741 JJCHOJAIXRVNGH-UHFFFAOYSA-N 401.470 3.740 0 50 HHAA Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C2CC2)cc1 748904913 YJHHSDCDJAIIAZ-HSZRJFAPSA-N 416.477 3.978 0 50 HHAA O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCN(c2ccccc2Cl)CC1 11874709 YXKOEGXVBOTSDC-UHFFFAOYSA-N 416.312 3.596 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)Cc4nonc4C)C3)c2)c1 12456374 TVJPTUNFMMKWHA-FQEVSTJZSA-N 418.497 3.773 0 50 HHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cccc3c2OCO3)CC1 12754850 ACYIFJVISTZKDH-UHFFFAOYSA-N 411.498 3.812 0 50 HHAA O=C(Nc1cc(F)ccc1F)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857693207 MTQAKJFKLUTCQA-OAQYLSRUSA-N 400.429 3.850 0 50 HHAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C/C=C/c2ccccc2)CCCN1 1875240480 UOTYYSHEHCDBNO-QQRRWSATSA-N 419.569 3.592 0 50 HHAA C[C@@]1(O)CCOC2(CCN(Cc3ccccc3OCCCCn3ccnc3)CC2)C1 1704312171 MKKSFCJCDKFRSG-HSZRJFAPSA-N 413.562 3.638 0 50 HHAA O=C(NCc1ccc(-c2ccncc2)cc1)N1CCN(Cc2ccc(Cl)cn2)CC1 1875259948 OHDMHXOSCYHJJJ-UHFFFAOYSA-N 421.932 3.824 0 50 HHAA Cc1ccc(-c2cnc(NC(=O)Cc3csc(S[C@@H](C)C(N)=O)n3)s2)cc1 2325852575 LICDUESIXJZQCU-NSHDSACASA-N 418.569 3.722 0 50 HHAA O=C(COC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1cccc(F)c1 900423595 PLHYEBNRQGAAKL-UHFFFAOYSA-N 407.376 3.981 0 50 HHAA CCOc1cccc(C2C(C(=O)OC)=CN(c3ccc(OC)cc3)C=C2C(=O)OC)c1 1117512 ZMGRYIHJRHIVBD-UHFFFAOYSA-N 423.465 3.812 0 50 HHAA COc1ccc(NC(=O)c2cc(OCCCN(C)C)nn2Cc2ccccc2)cc1 1549583 YZCSJBGQLATPMH-UHFFFAOYSA-N 408.502 3.523 0 50 HHAA in-vitro CCc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@@H]2C1=O 3635194 ACCPTPOVBWUFJU-YKUCYRFJSA-N 423.468 3.884 0 50 HHAA O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)cc1 4100504 IONOZWRFKSEFLN-UHFFFAOYSA-N 403.122 3.912 0 50 HHAA Cc1ccccc1Cn1ccc(NS(=O)(=O)c2ccc(Br)cc2)n1 6502380 XWMHGQSEGFIQCO-UHFFFAOYSA-N 406.305 3.803 0 50 HHAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 6633220 OKNDMTHFZVZLDR-UHFFFAOYSA-N 407.269 3.783 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1 11874581 XJRHAHBVEHAJEV-HXUWFJFHSA-N 418.497 3.510 0 50 HHAA C[C@@H]1CN(CCNC(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)Cc2ccccc2O1 11995732 BUYCTCTVLCYXEL-DYESRHJHSA-N 403.526 3.987 0 50 HHAA COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)N(C(C)C)C2)cc1 12246397 DJLNYHQPIBZDQH-RTWAWAEBSA-N 424.570 3.603 0 50 HHAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCCN(C=O)CC1 12459117 NWAOJYZUSZTRRA-UHFFFAOYSA-N 410.468 3.790 0 50 HHAA CC(C)Cn1cc(C(=O)N(C)Cc2ccccc2)c(=O)c(C(=O)N2CCCCCC2)c1 14993994 ABRNHLZCWKTQAM-UHFFFAOYSA-N 423.557 3.793 0 50 HHAA C[C@@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)nc1N1CCOCC1 15001552 SVWLUAFFIJAZMR-GOSISDBHSA-N 402.498 3.604 0 50 HHAA Fc1ccccc1N1CCN([C@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)CC1 19741163 AQAAOESVHFCTBB-QHCPKHFHSA-N 419.548 3.798 0 50 HHAA OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1CCc1ccccc1 23153413 AAIULNQTTHSDBK-HSZRJFAPSA-N 424.976 3.841 0 50 HHAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 48985173 NACKUNMZXBUXAD-MRXNPFEDSA-N 400.442 3.812 0 50 HHAA CCCCn1c(CN2CCC[C@@H](OCCC)C2)cnc1S(=O)(=O)CC1CCC1 55327174 DVIDJUCDRGIJKF-HXUWFJFHSA-N 411.612 3.648 0 50 HHAA CCOc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5F)no4)c3CO2)cc1 169758407 FDUUBFABVRCRAC-SFHVURJKSA-N 407.405 3.804 0 50 HHAA CCc1nc(-c2ccc(C(=O)N3CCC[C@H]3c3cccc4c3OCCO4)cc2)n[nH]1 432937443 LCMLOEPNKRNEGC-SFHVURJKSA-N 404.470 3.783 0 50 HHAA CC(C)CN1CCC[C@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 448425422 OAEQTTUWEIMVDL-MRXNPFEDSA-N 419.367 3.733 0 50 HHAA O=C(c1ccccn1)N1CCC(NC[C@H](c2ccccc2)N2CCCCCC2)CC1 828184230 RHVOEPRTTABOTF-XMMPIXPASA-N 406.574 3.893 0 50 HHAA COc1ccc(-n2cccn2)c(CNCCc2nc(O)c3c(C)c(C)sc3n2)c1 952873755 OEFRHLKGRBJNPO-UHFFFAOYSA-N 409.515 3.540 0 50 HHAA Cc1cc(C[C@@H]2CN(C(=O)CCc3ccc(-c4ccc(Cl)cc4)[nH]3)C[C@@H]2O)on1 1529134340 XSTSARPPGLYIKQ-IERDGZPVSA-N 413.905 3.626 0 50 HHAA Cc1ccc(-c2nc(C)c(C(=O)OCC3(C(N)=O)CC3)s2)c(Br)c1 2325853689 ZDZCTYBSZIVIFG-UHFFFAOYSA-N 409.305 3.612 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(S(=O)(=O)Cc3ccccc3)C2)c2cccc(=O)n21 2356158073 CABIAQUPBMUIBL-URVUXULASA-N 414.571 3.775 0 50 HHAA COc1cc(C(=O)Nc2ccc(I)cc2)cc(OC)c1OC 938983 ULSSNHAWEJISAR-UHFFFAOYSA-N 413.211 3.569 0 50 HHAA CCCN1C(=O)[C@](O)(CC(=O)c2ccccc2OC)c2cc(Br)ccc21 1078107 MJNXFVHTXWLVEJ-FQEVSTJZSA-N 418.287 3.675 0 50 HHAA CC(C)(C(=O)NCCNC(=O)CC1CCCC1)c1csc(-c2cccs2)n1 225693358 PPOYPAXKVYBMMU-UHFFFAOYSA-N 405.589 3.962 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCN(C)C(=O)[C@@H]2C)cc1F 55153006 QCSAFFCBFIZOQP-KRWDZBQOSA-N 422.504 3.658 0 50 HHAA O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1sccc1-c1ccc(F)cc1 116056930 JKKYDSAGOGTYFZ-UHFFFAOYSA-N 415.490 3.539 0 50 HHAA Cc1cc(C)c(N2CC[C@H](N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)C2=O)c(C)c1 253429214 MKESYZTUMLPMOO-AQNXPRMDSA-N 415.578 3.952 0 50 HHAA O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)ccc1Cl 222289184 JMGAIYCFTKHSOS-LATRNWQMSA-N 424.884 3.983 0 50 HHAA CC(C)(CN1CCOCC1)CN1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 19222364 UOOKEUKXPMFVSC-AREMUKBSSA-N 413.650 3.766 0 50 HHAA Brc1ccc(CN[C@@H]2CCOc3ccccc32)c(N2CCOCC2)c1 170591551 PBWOJQVNKGIXFE-GOSISDBHSA-N 403.320 3.899 0 50 HHAA COc1ccc([C@@H](NCCn2ccnc2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 170606800 LCQZLOFGCQDHQS-WOJBJXKFSA-N 400.523 3.622 0 50 HHAA COc1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc(OC)c1 170614517 NYQFFWVOAXLMOK-MOPGFXCFSA-N 408.420 3.953 0 50 HHAA Cc1ccc(OC(C)(C)C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)cc1 1529106439 PLOLNKQCANVGFT-AUSIDOKSSA-N 404.510 3.763 0 50 HHAA CCc1nc([C@@H]2CCCN(C(=O)c3cccnc3O)CC2)n(-c2ccc(C)cc2)n1 1772809596 YMPLGHNWFQOWIC-QGZVFWFLSA-N 405.502 3.649 0 50 HHAA CC(C)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccnc3)CC2)C1=O 14535126 AVHSJOONIPZGRP-UHFFFAOYSA-N 420.557 3.579 0 50 HHAA O=c1c(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)coc2ccc(Cl)cc12 19225495 YEXOWZSOQNYHEK-IBGZPJMESA-N 404.938 3.648 0 50 HHAA Cc1ccccc1-n1cc(CNC(=O)[C@]2(Cc3ccccc3)C[C@@H]3CC[C@H]2N3)cn1 1857674263 AIKWOTLASJOMBF-QQKQFIJSSA-N 400.526 3.550 0 50 HHAA CCN(CC)CCNC(=O)c1ccc(NCc2cnc3c(cnn3C(C)C)c2)cc1 225642228 OQCWAKKYRTVZSV-UHFFFAOYSA-N 408.550 3.696 0 50 HHAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1)c1ccc(NC(N)=O)cc1 1875263514 IPGRNSRJACHXIH-SNVBAGLBSA-N 401.829 3.851 0 50 HHAA CC[C@@H](C)c1cc(C(=O)NCC(C)(C)CNC(=O)c2cc([C@H](C)CC)no2)on1 2325736322 UVTAFDIRUUBSEH-ZIAGYGMSSA-N 404.511 3.876 0 50 HHAA CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1C(=O)c2ccccc2C1=O 854356 BRLSRWUTLJYEJZ-UHFFFAOYSA-N 404.466 3.910 0 50 HHAA Cc1ccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 1171551 FXNPOAHSYWJNFG-UHFFFAOYSA-N 424.522 3.979 0 50 HHAA Cc1ccc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@H](CC(C)C)C(=O)O)cc1 2981859 SRMFNIKYRNXVDR-UMSHPIDHSA-N 412.461 3.521 0 50 HHAA COc1ccc(C(=O)N[C@@H](C(Cl)(Cl)Cl)P(=O)(OC)OC)cc1OC 3214568 AURTXVVXIPHJHR-GFCCVEGCSA-N 420.613 3.616 0 50 HHAA CN(C(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCOCC1)c1ccccc1 6697347 NBIKEUQBGLCXKB-UHFFFAOYSA-N 405.454 3.645 0 50 HHAA O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 11818980 QNXRVFHOBFRBQZ-MRXNPFEDSA-N 404.470 3.649 0 50 HHAA COc1ccc(C[C@]2(CCC(=O)NCc3nccs3)CCC(=O)N2)c2ccccc12 12041771 RORVEVUNBVTXAG-QHCPKHFHSA-N 423.538 3.593 0 50 HHAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCCN2CCCCC2=O)c1C 12711606 ZJWDBNATFIWISH-FQEVSTJZSA-N 408.546 3.775 0 50 HHAA CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ncccc3C)n2C)cc1 17440364 RZJMLMIFNXRNEF-OAHLLOKOSA-N 411.531 3.952 0 50 HHAA Cc1ccc(C)c(OCn2ccc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)n2)c1 20028730 AGMHCHNOIUIOKQ-UHFFFAOYSA-N 422.504 3.634 0 50 HHAA CCOCc1cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)ccc1OC 39515802 NZYMIKFQMFWQBR-XMMPIXPASA-N 412.574 3.609 0 50 HHAA CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)c1 100081789 FSZPIAXLCCQFCM-FCQUAONHSA-N 412.493 3.780 0 50 HHAA in-vitro CC(=O)CCc1ccc(OCC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 170654885 WJBOWKAXLZCAJA-CVDCTZTESA-N 408.542 3.756 0 50 HHAA Cc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 239386647 PVHOXEDDVYNHRL-ZVVFGRKBSA-N 418.530 3.718 0 50 HHAA CCOc1ccccc1-c1noc(CN2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)n1 240934414 JBYNMQRWNBWKCN-HZPDHXFCSA-N 416.522 3.870 0 50 HHAA CCOc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 241126169 JKAMFAAXOZSANA-LSDHHAIUSA-N 401.473 3.665 0 50 HHAA Oc1cccc(N2C[C@H]3[C@@H]4[C@H]([C@@H]5C=C[C@H]4[C@@H]4CN(c6cccc(O)c6)C[C@H]54)[C@H]3C2)c1 245239989 JIWQDZWKSMMLQN-XHGRUUOTSA-N 400.522 3.965 0 50 HHAA O=c1[nH]c(CN2CCOc3cc(O)ccc3C2)nc2cc(-c3ccc(F)cc3)sc12 436729190 QJXQVIJPCZDGBU-UHFFFAOYSA-N 423.469 3.891 0 50 HHAA Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCc1nc(-c2ccccc2)cs1 917950726 YWLNNZJVVHZISY-ODLFYWEKSA-N 421.457 3.986 0 50 HHAA O=C(N[C@@H]1COc2c(F)cc(F)cc2C1)N[C@]1(C(F)(F)F)CCc2ccccc21 1311273872 VALAZIHQFSJZAO-IFXJQAMLSA-N 412.358 3.972 0 50 HHAA COCc1cc(=O)c(O)c(-c2[nH]c(-c3ccc(O)cc3O)nc2-c2ccccc2)o1 1857526747 VXQFPTXJQHOEFA-UHFFFAOYSA-N 406.394 3.627 0 50 HHAA Cc1nc(C)c(C(=O)N2CCN([C@@H](COc3ccccc3)c3ccccc3)CC2)o1 2100543160 NFYAHWFUPCZYAA-QFIPXVFZSA-N 405.498 3.870 0 50 HHAA C[C@@H](NC(=O)c1c(I)cnn1C)c1ccc(C(C)(C)C)cc1 653063 GUAIMHGMVSOUGZ-LLVKDONJSA-N 411.287 3.813 0 50 HHAA COc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)c3ccc(C)cc3)C1=O)OCO2 1132981 VOCYRKPGOZUETJ-UWVJOHFNSA-N 411.435 3.652 0 50 HHAA COc1cc(C(=O)N2CCN(c3cccc(Cl)c3C)CC2)cc(OC)c1OC 1686702 GPPQHTLNHGQPKB-UHFFFAOYSA-N 404.894 3.637 0 50 HHAA CC(C)C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 2152457 RILZEOVYUUNZQA-GOSISDBHSA-N 413.857 3.777 0 50 HHAA COc1ccc(CCN(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1OC 4177188 KRUXPENPUGDVMQ-FQEVSTJZSA-N 414.521 3.756 0 50 HHAA CCOC(=O)C[C@@H](NC(=O)c1cc2cc(OC)ccc2oc1=O)c1ccc(C)cc1 4594023 ZODCLRBVWQMNSR-LJQANCHMSA-N 409.438 3.534 0 50 HHAA Cc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1C 11697551 LFMSKYKPYPTYKK-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3cn(C)c4ccccc34)C2)cc1 11938556 CFQDNYJQZZAFRZ-FQEVSTJZSA-N 405.542 3.758 0 50 HHAA COc1ccc(CNCc2ccc(Cl)s2)cc1OC[C@H](O)CN(C)C(C)C 12439989 PZAXMNMVPWWFCV-MRXNPFEDSA-N 412.983 3.780 0 50 HHAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCC(OCc2ccccc2)CC1 12582879 CQQLZTALNGVPJL-UHFFFAOYSA-N 404.514 3.732 0 50 HHAA Cc1ccc(C)c(-n2cc(CNCCN3CCC(O)CC3)c(-c3ccccc3)n2)c1 20256366 LLBBXTBGKCNMHK-UHFFFAOYSA-N 404.558 3.702 0 50 HHAA COCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccc(OC)c(OC)c3)nc21 20604560 PVDBHUINJNJRQL-UHFFFAOYSA-N 423.441 3.722 0 50 HHAA Cc1nc(NCCNC(=O)Nc2cccc(C(F)(F)F)c2)cc(-n2ccnc2C)n1 65362472 OHHWDEPTYJVCHX-UHFFFAOYSA-N 419.411 3.532 0 50 HHAA O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1csc(-c2ccoc2)n1 170638671 AZHPTPYGFVVYCC-AWEZNQCLSA-N 401.875 3.982 0 50 HHAA COC(=O)C[C@@H](c1cc(Cl)c2c(c1)OCO2)c1c(O)c2ccccc2oc1=O 217829492 RGTOSLBSCPJQAN-LBPRGKRZSA-N 402.786 3.576 0 50 HHAA biogenic COc1cccc(CN(Cc2ncc(C3OCCO3)s2)C2CCC(O)CC2)c1 225638488 WFTUWZIDMGBENP-UHFFFAOYSA-N 404.532 3.503 0 50 HHAA CCOc1ccccc1OCc1nn2c(-c3c(C)nc4ccccn34)nnc2s1 227143538 RWQBNLXVSQLFRT-UHFFFAOYSA-N 406.471 3.787 0 50 HHAA O=C(Oc1cccc2cccnc12)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 239331232 KIPNEPFLRSDAPX-LVNJIZSUSA-N 410.429 3.766 0 50 HHAA C[C@@H](Cc1cncc2ccccc12)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 253423871 JUQJNMCGRWJWJN-IBGZPJMESA-N 415.537 3.968 0 50 HHAA CCCN1CCN(C(=O)CCN2Cc3ccccc3O[C@H](c3ccccc3)C2)CC1 299771797 UXGBKBVMEGVKNJ-DEOSSOPVSA-N 407.558 3.567 0 50 HHAA COc1cccc(-c2cn(CC(=O)c3cccc(Br)c3)c(=N)n2C)c1 334157523 GINOTYQHVJWKJI-UHFFFAOYSA-N 400.276 3.627 0 50 HHAA Cc1csc(NC(=O)CCC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)n1 334161586 DNWLYBLPMQPRBO-UHFFFAOYSA-N 416.478 3.857 0 50 HHAA Clc1ccc2nc(CN3CCN(c4nccc(Oc5ccccc5)n4)CC3)cn2c1 433033498 PUUDSCGPUVPQGU-UHFFFAOYSA-N 420.904 3.892 0 50 HHAA Cc1cc(F)c2nc(O)cc(C(=O)N(C)[C@H](C)c3ccc([S@](C)=O)cc3)c2c1 485749630 ZAHUKVVRAVETDR-QYSRSOONSA-N 400.475 3.959 0 50 HHAA Cc1ccc(N2C[C@H](C(=O)N[C@H](C)c3ccc4c(c3)CCC(=O)N4)CCC2=O)cc1C 760371886 NBEQWPRKTKCEGB-YLJYHZDGSA-N 419.525 3.809 0 50 HHAA O=C(O)CC[C@@H]1CN(CC(c2ccccc2)c2ccccc2)CC[C@@H]1N1CCOCC1 1076107293 WCUMKRZZVZTGQZ-NOZRDPDXSA-N 422.569 3.706 0 50 HHAA COC(C)(C)C(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857698871 ABKLRAJFBYTQBJ-OAQYLSRUSA-N 402.579 3.900 0 50 HHAA O=C1CCC[C@H]2[C@@H]3C[C@@H](CN(Cc4cn5ccccc5n4)C3)[C@H](Cc3ccccc3)N12 2356153478 IXDXNPFXXBEHDG-KJBBBAAKSA-N 414.553 3.778 0 50 HHAA CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(OC)ccc4OC)ccc1c23 1052733 AMHVLYHDFAPUNI-UHFFFAOYSA-N 412.467 3.638 0 50 HHAA Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)CNC(=O)Cc1ccccc1 2870498 GOMBBMRXDKWSMZ-UHFFFAOYSA-N 410.477 3.903 0 50 HHAA CCN1CCN(c2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)CC1 4998484 ZZAVNCPZXVRITD-UHFFFAOYSA-N 418.335 3.852 0 50 HHAA O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697534 XNFRIDDXJVUHOS-UHFFFAOYSA-N 409.881 3.623 0 50 HHAA CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 11976184 TZEGQNIHGBDKBF-REWPJTCUSA-N 422.525 3.527 0 50 HHAA Cc1cnc(-n2ncc(C(=O)NCC3(C)COC3)c2C(C)C)nc1-c1ccc(F)cc1 12078151 XAVKQCQULQFELV-UHFFFAOYSA-N 423.492 3.667 0 50 HHAA CC(=O)Nc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 12385192 UXWOJHOVHXYMRW-UHFFFAOYSA-N 409.534 3.807 0 50 HHAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(C)nc(C)n2)C1 12439765 SNLAQLNWXZWFSZ-QFIPXVFZSA-N 415.921 3.775 0 50 HHAA C[C@@H](c1cccs1)N(C)C(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1 14981678 DHIHHPMXHQAMBG-INIZCTEOSA-N 412.515 3.572 0 50 HHAA Cc1nn2c(NCCCN3CCOCC3)c3c(nc2c1-c1ccccc1)CCCC3 20518596 GZJXYWFKMKTSHD-UHFFFAOYSA-N 405.546 3.718 0 50 HHAA CCOc1cc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)ccc1O 20537396 OCZVVGZDVOFFIZ-FQEVSTJZSA-N 413.537 3.717 0 50 HHAA COc1ccc(Cn2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1 40396558 ROMOHQQRRHZARB-UHFFFAOYSA-N 400.413 3.907 0 50 HHAA COc1cc(CN2CCC(NC(=O)Nc3cccc(C)c3)CC2)cc(OC)c1OC 57530807 SXQXQYFGXSGGOE-UHFFFAOYSA-N 413.518 3.807 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c2cccc(C)c2)cc1 101668224 SVGJNGAAAHFLAL-CNNODRBYSA-N 412.555 3.804 0 50 HHAA COc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=C3N=CNN32)ccc1C 220976380 WZDODIRBHORHOG-NRFANRHFSA-N 403.486 3.792 0 50 HHAA Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)CC2)cc1 239235600 WHGUELHYNSHDCW-LYRYHAIASA-N 404.510 3.545 0 50 HHAA O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 241776932 RTPIUFALSYGFOB-YPAWHYETSA-N 415.493 3.528 0 50 HHAA CCN1CCN(C(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)CCC1=O 299755449 DEHQPEQQKAOPRV-UHFFFAOYSA-N 402.498 3.542 0 50 HHAA NC(=O)N1CCCc2ccc(NC3CCN(C(=O)c4ccccc4Cl)CC3)cc21 426543557 JPVOADCWOPEKQX-UHFFFAOYSA-N 412.921 3.888 0 50 HHAA CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 437298371 IIQWCHVSWJAQOB-CRAIPNDOSA-N 409.910 3.876 0 50 HHAA O=C(CSCc1ccc(Cl)cc1Cl)N[C@@H](CO)C[C@H](O)c1ccccc1 770836747 UHTXACQPWYOJIL-AEFFLSMTSA-N 414.354 3.827 0 50 HHAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H]([C@H]2C[C@@H](N)CCO2)C1 1775988870 NIULHAKXKZALOP-RYQLBKOJSA-N 403.523 3.616 0 50 HHAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 1857531232 SPPVKRVWVRBUPP-UHFFFAOYSA-N 400.866 3.721 0 50 HHAA CC(C)N=c1[nH]c(-c2ccccc2)nc2c1CCC21CCN(Cc2ncc[nH]2)CC1 1857681333 JKQWSQJZUWGPFJ-UHFFFAOYSA-N 402.546 3.589 0 50 HHAA CC(C)N(C)C(=O)[C@H]1CCCN(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)C1 1875257116 LVWGXQRLKMJFRU-LBPRGKRZSA-N 424.314 3.789 0 50 HHAA O=C(N=c1cc(-c2ccccc2)[nH][nH]1)Nc1ccc(OCc2noc(C3CC3)n2)cc1 1875352531 KKRRZYFZJWIXNL-UHFFFAOYSA-N 416.441 3.982 0 50 HHAA COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC(=O)c1ccc(C2CCCC2)cc1 1875354556 IYZBXSFHPAOHEP-UHFFFAOYSA-N 421.902 3.903 0 50 HHAA O=C(c1cccc(-c2ccncc2)c1)N1CCC[C@H](n2cc(-c3cccnc3)nn2)C1 1875359065 SPMBIRZNAMUQMF-QFIPXVFZSA-N 410.481 3.879 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(Br)cc2)CC1 2325889386 NJRVZVBXUPHBBP-QZTJIDSGSA-N 405.336 3.626 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)CC1 2325889593 YFIXBZDNZRGPFZ-PBHICJAKSA-N 405.336 3.578 0 50 HHAA CCOc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 726458 OVCVFEMDRWNYEZ-UHFFFAOYSA-N 424.522 3.915 0 50 HHAA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)c(Cl)cc1Cl 1136344 PMZZIEHXKFVDBG-UHFFFAOYSA-N 406.291 3.573 0 50 HHAA Cc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1169884 BIGRIYDSOHZUKS-UHFFFAOYSA-N 408.523 3.815 0 50 HHAA COc1ccccc1CN1CCC(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 2828242 NMGASPVZAHPNBK-UHFFFAOYSA-N 421.585 3.873 0 50 HHAA COc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(C)o3)c3ccccc32)cc1OC 2852755 GMXLCBVNDFSCAA-DEOSSOPVSA-N 421.449 3.613 0 50 HHAA CCCS(=O)(=O)c1ccc(COC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 2862490 ZUFJWUGMZFKEFE-UHFFFAOYSA-N 403.500 3.822 0 50 HHAA O=C(CCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 100082283 MNOAGBVLHAFMBY-VXGBXAGGSA-N 401.677 3.840 0 50 HHAA Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccco4)s3)CC2=O)cc1Cl 8654698 LLMHZLPYPMKXDZ-NSHDSACASA-N 402.863 3.866 0 50 HHAA COc1ccc2[nH]c(CN3CCN(Cc4ccccc4F)[C@H](CCO)C3)c(C)c2c1 39499945 RESOFKXCJQGPBV-LJQANCHMSA-N 411.521 3.693 0 50 HHAA CC[C@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCCCC[C@H]32)C(=O)NC1=S 229919820 FAXHGYNNSDBMHI-GTXQTCRKSA-N 419.978 3.673 0 50 HHAA CC1=NN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)[C@@](O)(C(F)(F)F)C1 17083260 MJNZIEAXHFFXMF-LBPRGKRZSA-N 405.587 3.885 0 50 HHAA COc1ccc(N2C(=O)C[C@@H](Sc3nc4ccccc4s3)C2=O)cc1OC 95496452 WLEHNOLNSQBLCC-MRXNPFEDSA-N 400.481 3.738 0 50 HHAA CCS(=O)(=O)Nc1cccc(N2CCC(NCc3cc4ccccc4[nH]3)CC2)c1 299795824 MDBFEOZRWASIEG-UHFFFAOYSA-N 412.559 3.688 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4noc(Cc5cccc(C)c5)n4)c3CO2)cc1 1775973543 UIHVMZNJIYFQOD-IBGZPJMESA-N 403.442 3.507 0 50 HHAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 11972320 FSRFRQJDNLZVKY-KRWDZBQOSA-N 415.497 3.574 0 50 HHAA CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(OC)cc2)C1 12434487 VQZVDDPZASIRKT-OAQYLSRUSA-N 409.530 3.566 0 50 HHAA COc1ccc(OCc2nc(C(=O)N3CCN(c4ccc(C)cc4)CC3)co2)cc1 12436273 XIUKPNULLCHLJU-UHFFFAOYSA-N 407.470 3.533 0 50 HHAA CO[C@H](C(=O)N1CCC(CCC(=O)N2CCc3ccccc3C2)CC1)c1ccccc1 12714508 GJHGOJMIPRCOLJ-VWLOTQADSA-N 420.553 3.978 0 50 HHAA CCOc1ccc(N(CC(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 14165900 UQXZWGSJWYYASK-OAHLLOKOSA-N 424.950 3.849 0 50 HHAA O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1cn(CCCc2ccccc2)nn1 15064326 LRZLDWQQLNGPAR-HSZRJFAPSA-N 421.520 3.617 0 50 HHAA CN(C[C@@H](O)c1ccccc1)C(=O)CCc1nnc(CCCCc2ccccc2)o1 15076059 OATHPSNSDFNSTF-OAQYLSRUSA-N 407.514 3.760 0 50 HHAA CN(C)c1ccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccccc3Cl)C4)no2)cc1 169769198 DWBAYBCESAPHLO-GOSISDBHSA-N 422.876 3.986 0 50 HHAA Cc1cc(CN2CCCC(=O)N3CCCC[C@H]3CCc3cccc(c3)OCC2)on1 1857702782 PKOFLEFSFJINNP-NRFANRHFSA-N 411.546 3.972 0 50 HHAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NC1(CO)CCCCC1 1857722458 VVKKIGMLSXAVIG-HNNXBMFYSA-N 405.926 3.899 0 50 HHAA CS(=O)(=O)Nc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1ccccc1 252511113 ZUJBXABTSDULLF-IBGZPJMESA-N 409.467 3.643 0 50 HHAA Cn1nc(C(F)F)cc1C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704297281 KPPIOFFJYOOECP-HSZRJFAPSA-N 423.467 3.935 0 50 HHAA NC(=O)c1ccc2[nH]cc(C3CCN(C(=O)c4cc5ccccc5c(O)n4)CC3)c2c1 1875258090 QNKDREPCCHNHHT-UHFFFAOYSA-N 414.465 3.540 0 50 HHAA COc1ccc(-c2cc(CNC(=O)c3cc(-c4ccc(OC)cc4)no3)on2)cc1 12371027 PXXKYRNGHMPGIR-UHFFFAOYSA-N 405.410 3.944 0 50 HHAA COCCOc1cc(Br)cc(C(=O)OCCc2cc3cccnc3[nH]2)c1 2325839665 ARHJPJQRMLATNU-UHFFFAOYSA-N 419.275 3.750 0 50 HHAA COc1cc(CNc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1F 624198 LLOHDDOQGHNTMJ-UHFFFAOYSA-N 416.474 3.673 0 50 HHAA CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(C(C)=O)c1C 726111 LSZZOSYTAJZNDN-SOFGYWHQSA-N 401.440 3.816 0 50 HHAA CC1=C(C)C[C@@H](C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)[C@@H](C(=O)O)C1 915940 LVFLAQWNCZHCGE-UXHICEINSA-N 418.449 3.873 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCc2ccccc2C1 1116165 LAWSJVNBWQAVSB-UHFFFAOYSA-N 422.506 3.695 0 50 HHAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(Cl)cc1Cl 1136360 CVBGUURLYWEMKU-UHFFFAOYSA-N 414.241 3.815 0 50 HHAA CN(C)c1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)F)cc1 1151784 VIOMOQZQHMDZEF-SFHVURJKSA-N 411.811 3.907 0 50 HHAA CCCC(=O)Nc1nnc(S[C@H](CC)C(=O)Nc2ccc(C(C)=O)cc2)s1 2846584 RQWRFIKRJGZNDV-CQSZACIVSA-N 406.533 3.989 0 50 HHAA CCC1(CC)Cc2ccccc2-c2nc(NCCO)n(Cc3ccccc3)c(=O)c21 5711194 WLTZNTXZJKQDMA-UHFFFAOYSA-N 403.526 3.977 0 50 HHAA CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)N2CCC(c3ccccc3)CC2)c1=O 12040316 LZDHDGXMSUITPC-QGZVFWFLSA-N 409.530 3.589 0 50 HHAA COc1cc(CNC2CCCCCCC2)ccc1OC[C@@H](O)CN1CCSCC1 12195313 UALKPXRSJWMGOV-NRFANRHFSA-N 422.635 3.686 0 50 HHAA COc1cccc(CC2=NO[C@@H](C(=O)N3CCC(c4nc5ccccc5o4)CC3)C2)c1 14988365 QCFUAQKBLWWVBN-JOCHJYFZSA-N 419.481 3.930 0 50 HHAA COc1ccccc1N1CCN([C@H]2CCCN(Cc3cc(F)cc(F)c3)C2)CC1 19842053 UNWXPWPWYIOSRQ-NRFANRHFSA-N 401.501 3.760 0 50 HHAA COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OC[C@H]3CCCO3)c2n1 21788904 DVHAZURBTSTJDZ-GFCCVEGCSA-N 421.375 3.760 0 50 HHAA CCN1CCC[C@H]1CN(Cc1cccc(C(C)=O)c1)CC1CCN(CCOC)CC1 22851390 MDYQQTDKRUPAKP-VWLOTQADSA-N 415.622 3.534 0 50 HHAA O=C1N(C2CCCCC2)C(c2ccccc2)=N[C@]1(Nc1ncccn1)C(F)(F)F 64370011 IQMJCNQRAJWRLN-LJQANCHMSA-N 403.408 3.769 0 50 HHAA C[C@](O)(CNC(=O)Cc1csc(Cc2ccccc2)n1)c1cccc(Cl)c1 170596242 FKBNBUNTQSHQNR-NRFANRHFSA-N 400.931 3.954 0 50 HHAA O=S(=O)(NCCCO[C@@H]1CCCCO1)c1ccc(Cl)cc1C(F)(F)F 225547739 FLPQBBFFIOLTSP-CQSZACIVSA-N 401.834 3.570 0 50 HHAA O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccccc1F 239164776 MWQSPSIHKHYIBI-FNWGZNAISA-N 403.409 3.602 0 50 HHAA O=C(C1CCN(c2noc3ccc(Cl)cc23)CC1)N1CC[C@H]([C@@H]2CCOC2)C1 486800095 WTXOVLVMEUSFDV-JKSUJKDBSA-N 403.910 3.583 0 50 HHAA COCCN(Cc1ccsc1)C(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 952969478 JPCNPXGDEFOBNA-UHFFFAOYSA-N 400.544 3.584 0 50 HHAA COc1ccc(CCCC(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc1 1529196288 XSSRQJAJZUYQIG-YKSBVNFPSA-N 404.510 3.628 0 50 HHAA Cc1ccc2oc(N3CCC(C(=O)N[C@H]4CCCc5sc(C)nc54)CC3)nc2n1 1857697238 LOZCNIRYNJTDMZ-HNNXBMFYSA-N 411.531 3.706 0 50 HHAA CN(C)C1(CNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)CCCC1 1857710265 OEAJIBKRTXUWNN-HNNXBMFYSA-N 404.942 3.688 0 50 HHAA O=C(CCCCCN=c1ccc2nnc(-c3ccsc3)n2[nH]1)Nc1ccccc1 1875352942 GUTDYDDMRJXDSV-UHFFFAOYSA-N 406.515 3.886 0 50 HHAA C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1nc2cccnc2s1)c1ccc(F)cc1 1875354606 KQHJYZOBDQSAJT-CQSZACIVSA-N 414.506 3.555 0 50 HHAA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccc(C)o3)C2)cc1OC 1875388763 PHVHEYZTXVZXLJ-MRXNPFEDSA-N 400.431 3.538 0 50 HHAA CC(C)N1CCN(C)C(=O)[C@@]2(CC=CCC[C@@H](c3ccccc3)C1=O)CCCNC2 2325893999 IPCIVHJKRUGNIY-DHLKQENFSA-N 411.590 3.576 0 50 HHAA CCOC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 626456 NDGCBVCMJWYQNM-LJQANCHMSA-N 408.454 3.513 0 50 HHAA Cc1cc(C(F)F)n2nc(C(=O)Nc3c(F)cc(F)cc3Br)nc2n1 648830 RNHJESIWEVRTGS-UHFFFAOYSA-N 418.148 3.663 0 50 HHAA COc1ccc(-n2nnnc2SCC(=O)Nc2c(Cl)cccc2Cl)cc1 679621 LVMIPFTUWDNCKS-UHFFFAOYSA-N 410.286 3.709 0 50 HHAA Cc1sc2ncn(CC(=O)NCCc3ccccc3)c(=O)c2c1-c1ccccc1 957811 SSVGCPJIIWMDAP-UHFFFAOYSA-N 403.507 3.792 0 50 HHAA CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 2827552 XXYQQIKBZXTGPQ-UHFFFAOYSA-N 411.321 3.780 0 50 HHAA biogenic Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 2848562 CQYQKDRHVRHBGE-UHFFFAOYSA-N 420.840 3.926 0 50 HHAA CC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3Cl)CC2)cc1 4750302 JLOSGUVLKVOECC-OAHLLOKOSA-N 404.869 3.798 0 50 HHAA O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC[C@H](OCc2ccccc2)C1 11754020 JYPYIFJMCAXJNI-IBGZPJMESA-N 410.905 3.801 0 50 HHAA COc1ccc(CC2=NO[C@H](CNC(=O)c3ccc(-n4nc(C)cc4C)cc3)C2)cc1 11870073 ANESPPXNLMNILN-QHCPKHFHSA-N 418.497 3.615 0 50 HHAA CCOC(=O)C[C@@H]1CCCCN1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 12463855 KIWJOBVYQQPLPN-INIZCTEOSA-N 411.424 3.987 0 50 HHAA COc1cc(CN(C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc2c1OCO2 12464730 OHZFOUOTKYWFIV-GOSISDBHSA-N 414.521 3.950 0 50 HHAA CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CCC(=O)c2ccccc2)CC1 12572122 GXESDVZFEXVVFV-UHFFFAOYSA-N 410.518 3.694 0 50 HHAA O=C(c1scc2c1CCCC2)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 15065656 NAIUWOKSESNXOY-CQSZACIVSA-N 424.613 3.519 0 50 HHAA Cc1n[nH]c(CCC(=O)N2CC[C@@]3(CCCN(Cc4cccc(F)c4F)C3)C2)c1C 15070663 OHOKUOOBGCXWGS-HSZRJFAPSA-N 416.516 3.752 0 50 HHAA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccc2ccccc2c1 20271807 WSWIPFLSOISFGO-GGAORHGYSA-N 409.480 3.597 0 50 HHAA COc1ccc(-c2ncc(CN[C@H]3CCCN(Cc4cccc(OC)c4)C3)cn2)cc1 20909070 CMUQREJUKUPBLL-QFIPXVFZSA-N 418.541 3.915 0 50 HHAA CN(C)CCNC(=O)c1ccc(OC2CCN(Cc3cccs3)CC2)c(Cl)c1 55198260 ZYHOVYWBQNQLDE-UHFFFAOYSA-N 421.994 3.736 0 50 HHAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@H]21 100237376 GAUQJXGIBJFRRB-RRCSTGOVSA-N 405.235 3.549 0 50 HHAA Cc1ccccc1OCC(=O)N[C@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169753638 JEWWMFLOOLSLRB-IBGZPJMESA-N 408.477 3.688 0 50 HHAA O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2nc[nH]c2c1 242339253 ZGGQEDVMWYBQOB-UHFFFAOYSA-N 424.457 3.684 0 50 HHAA Cc1ccccc1C1=NN(C(=O)c2ccco2)[C@@H](c2ccccc2NS(C)(=O)=O)C1 252490916 LETZIPIUDZXOCY-HXUWFJFHSA-N 423.494 3.951 0 50 HHAA COc1ccc(-c2cc(C(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)nn2-c2ccccc2)cc1 439021859 NRYZWMCJLCDGIV-TXTKFYIRSA-N 403.482 3.845 0 50 HHAA Ic1ccc2ncnc(Oc3ccc(-n4cncn4)cc3)c2c1 462851033 HQBTYBGQVKCEIW-UHFFFAOYSA-N 415.194 3.607 0 50 HHAA COc1ccc(OCCCNC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 804983913 WHFKYTCWXLCZDK-SFHVURJKSA-N 412.408 3.516 0 50 HHAA Cn1cc(C(=O)N2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)cn1 1857699130 PATDONRAYPKPDJ-JOCHJYFZSA-N 410.562 3.522 0 50 HHAA CN(c1ccnc(N2CCC(C)(C)C2)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1875330675 XQKMSMYMVCUUGU-QGZVFWFLSA-N 403.571 3.939 0 50 HHAA O=C(NC1(C(F)F)CCOCC1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 1875356648 OOQBEKNCCBTJDZ-UHFFFAOYSA-N 414.811 3.673 0 50 HHAA Cn1ccnc1[C@@H](NC(=O)N1C[C@H]2CCCN2c2ccccc21)c1ccc(F)cc1 2325709330 OURBQXVAXVJMDM-NQIIRXRSSA-N 405.477 3.847 0 50 HHAA COc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc1 781729 NOBXVIIAYQXPCB-UHFFFAOYSA-N 402.406 3.881 0 50 HHAA Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 790963 HZJOTMGHVSUQHR-UHFFFAOYSA-N 411.483 3.517 0 50 HHAA O=C1NC(=O)c2cc(N3C(=O)c4ccc(Oc5ccc(Cl)cc5)cc4C3=O)ccc21 1122577 JGFUNANTJPXGTL-UHFFFAOYSA-N 418.792 3.817 0 50 HHAA Cc1cccc(OC2CCN(C(=O)c3cn(Cc4c(F)cccc4F)nn3)CC2)c1 11718662 QICUWWADDKEEEF-UHFFFAOYSA-N 412.440 3.597 0 50 HHAA O=C(CC[C@H]1CCCN(C(=O)Cc2cccc(F)c2F)C1)NCc1ccccc1F 12203439 MFFBAXQMKRYZLJ-MRXNPFEDSA-N 418.459 3.982 0 50 HHAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)C2CCOCC2)C3)c1 12211491 MYRISHCBQLLQRS-LJQANCHMSA-N 411.473 3.850 0 50 HHAA O=C(NCc1nnc(SCc2ccncc2)n1Cc1ccccc1)c1ccco1 12451527 NNEQIYHCXPQYDR-UHFFFAOYSA-N 405.483 3.537 0 50 HHAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccc(OC)cc1 14746834 BGECRCCMAHIDAF-GOSISDBHSA-N 401.551 3.543 0 50 HHAA COC(=O)CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1 14969669 LSTUUYHFXPIJPE-SFHVURJKSA-N 412.461 3.623 0 50 HHAA O=C(NC[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1)c1cc2ccccc2[nH]1 15078567 MQTRQGGSGOFOAN-XYDKVEKUSA-N 423.538 3.610 0 50 HHAA O=C(NC1CCCCCC1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760218 PBUNVIKVCYVMDD-UHFFFAOYSA-N 418.541 3.876 0 50 HHAA NC(=O)Nc1cccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)c1 170622640 DVCRPKTVDBOXBT-MRXNPFEDSA-N 412.248 3.837 0 50 HHAA COc1ccc2occ([C@@H]3CC(=O)Oc4ccc5c(c43)OC(C)(C)CC5=O)c(=O)c2c1 217926304 NSTNUYVMORSBQZ-AWEZNQCLSA-N 420.417 3.986 0 50 HHAA biogenic CN1CCO[C@@H]([C@@H](NCc2ccc(-n3ccnc3)c(F)c2)c2ccc(Cl)cc2)C1 222049269 QBEFGYMOMNOSAB-YADHBBJMSA-N 414.912 3.826 0 50 HHAA O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)Nc2nc3ccccc3[nH]2)CC1 238900544 JKRPHVXJJTUAMB-WKILWMFISA-N 401.470 3.718 0 50 HHAA CSCC[C@@H](NC(=O)CC1(n2cccc2)CCOCC1)c1nc2ccccc2[nH]1 252533032 FTOOJRDDZDPRAO-LJQANCHMSA-N 412.559 3.871 0 50 HHAA CC(C)c1nc2ccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4N=C3O)cc2[nH]1 252539163 NUUNOGCMDPQQKY-QGZVFWFLSA-N 405.458 3.805 0 50 HHAA O=C(NCc1ccccc1C(F)(F)F)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263616421 IOOUKDOMCNHVOA-KRWDZBQOSA-N 420.366 3.638 0 50 HHAA COC(=O)c1coc(CN2CCC[C@H](c3nn(-c4ccccc4)cc3C(=N)O)C2)c1 328605643 OJBHYXNMJJJZAB-HNNXBMFYSA-N 408.458 3.515 0 50 HHAA c1ccc2c(c1)C[C@H](c1nnc(N3CC[C@]4(CCCOC4)C3)n1C[C@H]1CCCCO1)O2 461684677 SDXXUJKMMDZENX-ZILOHOTNSA-N 424.545 3.530 0 50 HHAA O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CC[C@H](C(F)(F)F)c2ccccc21 491919963 HTRRWWYGRKAUSQ-KRWDZBQOSA-N 413.399 3.993 0 50 HHAA CCCCN(C(=O)[C@@H]1[C@H]2CN(CC(F)(F)F)C[C@H]21)C1CC(C)(C)NC(C)(C)C1 2325827459 GTIPJAIYOWRBJG-FVQHAEBGSA-N 403.533 3.664 0 50 HHAA COc1cc(CNc2ccc(N3CCOCC3)cc2)cc(Br)c1OC 623947 WBEVNMFKGPINRI-UHFFFAOYSA-N 407.308 3.915 0 50 HHAA CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 639875 ZNALTCQPBVJUKJ-GFCCVEGCSA-N 411.321 3.778 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 1079909 PSEJQPBASKYIGZ-UHFFFAOYSA-N 424.803 3.903 0 50 HHAA O=C(COc1ccccc1)N1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 4893383 UPMMBBOJXYCOGT-HSZRJFAPSA-N 420.553 3.785 0 50 HHAA O=C(NC1CC1)[C@@H]1CCCN(c2cccc3c2C(=O)N(c2cccc(Cl)c2)C3=O)C1 11782797 DZNQBLIJCQLLKO-CQSZACIVSA-N 423.900 3.636 0 50 HHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)CC[C@@]3(Cc4ccco4)CCC(=O)N3)C2)cc1 11787756 FSKYHMQDARIDQW-CJFMBICVSA-N 424.541 3.877 0 50 HHAA COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)c(C)c4)N4CCC[C@@]34C2=O)c1 11843987 MOEWESIGMIOAHI-XTJBDQBJSA-N 406.526 3.950 0 50 HHAA Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C[C@H]1CCC(=O)N1)C(C)C 11844655 MULCUDBIOJSHQU-CYBMUJFWSA-N 405.882 3.521 0 50 HHAA O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)/C=C/c1ccc(F)cc1)CC2 12040249 ZRJXLONJGSYISO-QNBZTBGESA-N 421.516 3.612 0 50 HHAA COc1cc(C(C)=O)ccc1OCc1cc(C(=O)N2CCc3ccccc3C2)no1 12089869 NZDKRXMOVBZSHT-UHFFFAOYSA-N 406.438 3.663 0 50 HHAA CN(C[C@H](O)c1ccccc1)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 12094405 GUYOCDQQRODAQA-QHCPKHFHSA-N 412.493 3.721 0 50 HHAA CN(Cc1nccs1)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 12372931 TZLNJCMEPJDBLD-UHFFFAOYSA-N 410.421 3.727 0 50 HHAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cc(C)n(C)n2)CC1 12387557 PVYYKFHNQSYUBE-UHFFFAOYSA-N 412.578 3.748 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@](CO)(CCOc4ccccc4)C3)[nH]n2)o1 12429744 RBOGDWMAZIVTRN-HSZRJFAPSA-N 409.486 3.662 0 50 HHAA Cc1nc2cc(OCc3cc(C(=O)NCC[C@@H]4CCCCO4)no3)ccc2s1 12464117 RRODJHVUFJSMNJ-AWEZNQCLSA-N 401.488 3.861 0 50 HHAA CC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)O)c2C(=O)NCc2ccco2)C1 17091459 TUPDNGQXVURGFM-ZDUSSCGKSA-N 418.515 3.979 0 50 HHAA CC(C)c1ccc2nc(-c3ccccn3)cc(C(=O)N3CCC(C(N)=O)CC3)c2c1 32102852 QNUQIUBAYCEMTQ-UHFFFAOYSA-N 402.498 3.758 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc4ncccc4c3)C[C@H]2CCO)cc1C 104353488 YYJVJNXVGSRYGI-HSZRJFAPSA-N 405.542 3.621 0 50 HHAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(N4CCNC4=O)c(C)c3)[nH]c2c1 142266215 OGYWBQZYNQTMTG-HXUWFJFHSA-N 403.486 3.687 0 50 HHAA CN1c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C(=O)N2CCC[C@H]21 169765960 YGKYZIYKCHZWJG-KRWDZBQOSA-N 405.376 3.849 0 50 HHAA Cc1ccc(Cn2c(C3CCN(C(=O)c4cccc(Cl)c4)CC3)n[nH]c2=O)cc1 169770147 YUTBEHCGHORCCN-UHFFFAOYSA-N 410.905 3.601 0 50 HHAA C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CCc1nc2ccccc2n1-c1ccccc1 225422770 QPHVJWAFZKMYGS-KRWDZBQOSA-N 422.529 3.988 0 50 HHAA COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)cc1Cl 230208107 LNQHBBQGMXBOHP-QAPCUYQASA-N 402.926 3.733 0 50 HHAA biogenic C[C@@H]1C[C@H](O)CCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 230287527 NTWHYCGMRFUCIQ-WRWLIDTKSA-N 400.906 3.573 0 50 HHAA CC[C@H](C)[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc2N=C1O)c1nc2ccccc2[nH]1 252540211 PBKGTTSTTRCDRN-CYFNAFFESA-N 419.485 3.557 0 50 HHAA COc1ccc(N2CCN(Cc3cnc(-c4cccc(C)c4)nc3)[C@H](C)C2=O)cc1 824679031 QSVUNLYQQGIMCD-GOSISDBHSA-N 402.498 3.698 0 50 HHAA COc1ccc(C(=O)NCCCc2cccnc2)cc1Oc1ccc(CN)cc1F 1857685399 VDPSDYAKNUMWBR-UHFFFAOYSA-N 409.461 3.843 0 50 HHAA O=C(c1ccccc1)N1CCC[C@@]2(CN(CC3CCC(F)(F)CC3)CC[C@H]2O)C1 1857703770 RHOVRKUSTSINBH-IFMALSPDSA-N 406.517 3.801 0 50 HHAA O=C(c1onc2ncccc12)N1CCC(C2CCN(Cc3ccccc3)CC2)CC1 1857726640 ASQYAMPUEJITKD-UHFFFAOYSA-N 404.514 3.987 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(OC)c(I)c2)c1 670820 MJAVZUGUTUAUID-UHFFFAOYSA-N 413.211 3.569 0 50 HHAA Cc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1C 881298 ZZDSCGRLPRQSCU-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA COc1cc(S(=O)(=O)Nc2ccc(I)cc2)c(C)cc1C 1069755 AQWPZVLISPTULB-UHFFFAOYSA-N 417.268 3.717 0 50 HHAA COc1cc([C@H]2CC(=O)Nc3c2ccc2ccccc32)c(Cl)cc1OCC(N)=O 1122971 YBOLLVWGBSYPRV-HNNXBMFYSA-N 410.857 3.840 0 50 HHAA Cn1c2ccccc2c2nnc(SCC(=O)Nc3nc4c(s3)CCCC4)nc21 1133373 HPSYAGXCPHDGIR-UHFFFAOYSA-N 410.528 3.583 0 50 HHAA O=C1[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1 1194629 XJWQXTYMUUIGLZ-ZKKFKWFVSA-N 415.876 3.883 0 50 HHAA COCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl 2992717 DJZDVGYHSOPSPB-UHFFFAOYSA-N 416.762 3.584 0 50 HHAA COC(=O)c1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1 9496044 TWPSJDDYKQEMMK-GOSISDBHSA-N 423.860 3.646 0 50 HHAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC12CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 12041572 YFKUPLOVEFUZLC-SFHVURJKSA-N 417.465 3.778 0 50 HHAA Cc1nc2sccn2c1CN1CCC2(CC1)C[C@@H]2C(=O)Nc1ccc2c(c1)OCO2 12132772 VMMQYYHLWDWPNO-MRXNPFEDSA-N 424.526 3.674 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCc2scnc2C)C1 12208213 GCUZPNOFWXEVIT-JOCHJYFZSA-N 418.534 3.938 0 50 HHAA COc1cccc(CN2CCC[C@@H](NC(=O)CSc3nc4cc(C)ccc4[nH]3)C2)c1 12307105 DEWOVGGQXHGIGU-GOSISDBHSA-N 424.570 3.753 0 50 HHAA Cc1ccc(OCc2cc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)no2)cn1 12438527 YHHXBZBRFIZSIT-UHFFFAOYSA-N 405.454 3.692 0 50 HHAA O=C(NC[C@H]1CCCN(C(=O)C2CCOCC2)C1)c1ccc(-c2ccccc2)cc1 12463363 SLDXXYHVBAXKOP-LJQANCHMSA-N 406.526 3.749 0 50 HHAA CSc1cccc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c1 12468875 FISVPSUZSJBHMJ-LJQANCHMSA-N 403.636 3.953 0 50 HHAA CN(Cc1ccc2nonc2c1)C(=O)c1cc(COc2ccc(F)cc2Cl)on1 12613201 WBMPPKAKTSCUCF-UHFFFAOYSA-N 416.796 3.855 0 50 HHAA COC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1cc(OC)c(OC)c(OC)c1 13638104 ZQGGTDDDIJTIOE-LJQANCHMSA-N 409.442 3.502 0 50 HHAA Cc1nc([C@H](C)NC(=O)c2cccc(OC3CCN(C(=O)C4CC4)CC3)c2)cs1 14948123 XCNNGUZNRXGVKH-AWEZNQCLSA-N 413.543 3.722 0 50 HHAA COC(=O)c1ccc(N2CCN(Cc3nc(-c4ccc(OC)cc4)oc3C)CC2)cc1 20209319 DXIRZKSKESPCOE-UHFFFAOYSA-N 421.497 3.767 0 50 HHAA c1ccc(Cn2cc(CN3CCN4CCC[C@H]4C3)c(-c3ccc4c(c3)OCO4)n2)cc1 23358788 GYZCCCHCWUEOMJ-QFIPXVFZSA-N 416.525 3.607 0 50 HHAA CN(Cc1ccon1)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77520940 MECRPKRVXMBFSX-UHFFFAOYSA-N 408.502 3.978 0 50 HHAA O=C1C[C@H](N2CCCc3ccccc32)C(=O)N1c1ccc(Br)cc1F 101061355 KHZPWBOCYYGTPI-KRWDZBQOSA-N 403.251 3.673 0 50 HHAA Cn1nc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c2ccccc21 169753597 WBDUVVNENJSOER-QGZVFWFLSA-N 418.476 3.501 0 50 HHAA Cc1nc(N2CCC(C(=O)NCCCc3ccccc3)CC2)cc(C(F)(F)F)n1 169772580 PSYZJPGYPSKGSD-UHFFFAOYSA-N 406.452 3.769 0 50 HHAA O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(Br)c2c(c1)OCO2 195618707 XYMSARLKQLKGRK-UHFFFAOYSA-N 424.320 3.873 0 50 HHAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)/C=C/c2ccc(Br)s2)C[C@@H](C)O1 230146288 SYXJJCPLCGFMTF-HXFZWMNWSA-N 413.381 3.624 0 50 HHAA O=C(Nc1ccccc1Cl)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 239203442 SJTPZESSUTXFJT-WPCMGHOJSA-N 422.912 3.921 0 50 HHAA O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 247735986 KPPACPZOJUCNOB-NZSAHSFTSA-N 416.543 3.847 0 50 HHAA O=C(Cc1cnn(-c2ccccc2)n1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 768946436 CDVDVVOUCHQQDN-INIZCTEOSA-N 407.543 3.551 0 50 HHAA O=C1/C(=C/N[C@H]2COc3cc(F)cc(F)c32)c2ccccc2C(=O)N1c1ccccn1 783687969 RTRHYYOEAZEMAY-FYXHJSOBSA-N 419.387 3.611 0 50 HHAA Cc1ccc(C(=O)NCCC(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c(O)c1 1291811096 XMYXXRDSLJKTNJ-UHFFFAOYSA-N 404.426 3.596 0 50 HHAA CCc1ccc([C@@H]2CCCN(C(=O)[C@@H](C)NC(=O)c3n[nH]c4ccccc34)C2)cc1 1449163331 NMIJYCYWABNWEP-VQIMIIECSA-N 404.514 3.650 0 50 HHAA Cc1cccc(Nc2nc(N)nc(CN3CCC([C@H](O)c4cccs4)CC3)n2)c1 1529189720 VNEYAUKMACOCMG-IBGZPJMESA-N 410.547 3.513 0 50 HHAA Cc1cc(CN2C[C@@H](C(=O)O)C3(CCN(C(=O)CCC4(C)CC4)CC3)C2)ccc1F 1857683540 ISYMGVJZELNAQJ-IBGZPJMESA-N 416.537 3.840 0 50 HHAA CC[C@@H](C)c1ccc(S(=O)(=O)NC2CCN(c3ccccc3C(=O)O)CC2)cc1 1875262944 NQYADKSBNSDDHO-MRXNPFEDSA-N 416.543 3.846 0 50 HHAA COc1ccc2[nH]ccc2c1NC(=O)[C@H]1C[C@@H]1C(=O)Nc1c(OC)ccc2[nH]ccc12 2325739408 PLMGJYLJWAFTQF-GJZGRUSLSA-N 418.453 3.880 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccccc2)cc1 824377 NCZSEHUCHLKQAG-UHFFFAOYSA-N 408.523 3.849 0 50 HHAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2ncc(Br)cn2n1 1068687 HFKOVTBQSBACSF-UHFFFAOYSA-N 401.142 3.643 0 50 HHAA O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 1166004 QBZAAHMKKWZFMG-MRXNPFEDSA-N 414.527 3.553 0 50 HHAA Cn1ncc(Br)c1C(=O)Nc1ccc(Br)c2cccnc12 2785796 HERKKRZERHAWQN-UHFFFAOYSA-N 410.069 3.746 0 50 HHAA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2c(F)cccc2Cl)CC(=O)N1 4913174 UIGITQKQVWZSKB-HNNXBMFYSA-N 403.837 3.979 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccc(N(C)C)cc2)C1 11873960 YPGXWPLYLRDBMH-DEOSSOPVSA-N 412.505 3.920 0 50 HHAA O=C1CCN(Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccc(F)cc1 11910023 WGZKCDKMCMPXGE-UHFFFAOYSA-N 406.461 3.643 0 50 HHAA COc1ccccc1-n1cc(CN2CCC(=O)N(Cc3ccccc3Cl)CC2)cn1 11974185 DTDKYRSGUPTYOQ-UHFFFAOYSA-N 424.932 3.769 0 50 HHAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)c1C 12440304 MNKSIHLUMWQAEL-GOSISDBHSA-N 404.514 3.817 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(OCC)c(CO)c2)C1 12471993 QMAUMZAPPZLPJB-RUZDIDTESA-N 411.542 3.966 0 50 HHAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 12577566 IDXHWIDBPVTXOW-GOSISDBHSA-N 423.538 3.562 0 50 HHAA CC[C@H](COC)NC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12708992 XDNXDUWRKTYDKY-JOCHJYFZSA-N 410.558 3.927 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CCn2ccc(C)n2)CC1 14948270 FTMCQRDBBJGLSE-UHFFFAOYSA-N 411.546 3.776 0 50 HHAA C[N+](C)(C)CCO[P@](=O)(O)Oc1c[nH]c2ccc(Br)c(Cl)c12 15205359 BFXURLIMPJNXOL-UHFFFAOYSA-O 412.628 3.786 0 50 HHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cnc(N(C)C)s2)CC1 19837368 LVCKUPCDNXKXEH-UHFFFAOYSA-N 417.575 3.606 0 50 HHAA O=C(Nn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O)c1ccccc1 40397339 NJXNMIBUMABCIV-UHFFFAOYSA-N 415.840 3.749 0 50 HHAA CCCCC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(C(=O)c3cccs3)C2)c1 65408163 QGFQBYCYUPYXQT-SFHVURJKSA-N 413.543 3.911 0 50 HHAA COc1ccccc1-c1ncc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)s1 92062269 BHMDYVPSPWEJHV-ZHRRBRCNSA-N 402.560 3.818 0 50 HHAA CCN1c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2C(=O)N2CCCCC[C@H]21 169766286 DDDCKMRWDPAHLH-QFIPXVFZSA-N 421.497 3.528 0 50 HHAA CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nncs2)CC1 238923526 OKTRHZCAACPPLC-KZNAEPCWSA-N 400.548 3.667 0 50 HHAA Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4[C@H](C(=O)O)[C@H]5C=C[C@H]4O5)cc3)sc2c1 239038465 DGNJHVRRXNEMGY-ZAWLATJESA-N 406.463 3.864 0 50 HHAA CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C4CCC(CC4)[C@H]3C(=O)O)c2C(N)=O)C1 239425909 VLLUAGVDCRMXJZ-TYJVHBSKSA-N 418.559 3.828 0 50 HHAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc2c(cc1Br)OCCO2 247859733 VVIVFNQBYGCAAP-MAZHCROVSA-N 410.308 3.526 0 50 HHAA NC(=O)Cc1csc(NC(=O)C[C@@H](c2cccc3ccccc23)n2cccc2)n1 263588619 WHDMYGCISOPOBC-IBGZPJMESA-N 404.495 3.744 0 50 HHAA O=C(NC1CC1)c1cc(NC[C@H](c2ccccc2)N2CCOCC2)nc2ccccc12 301075837 NIZOLLSWUWZXCG-HSZRJFAPSA-N 416.525 3.612 0 50 HHAA CCOC[C@@H]1CCCN1C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426387138 SXNLXWZOFFNMEB-INIZCTEOSA-N 403.548 3.552 0 50 HHAA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 445820501 TWCXKUROQXRNIQ-NILFDRSVSA-N 413.444 3.523 0 50 HHAA Cc1ccc(CN2C[C@@H](C(=O)N(C)Cc3cccc(Br)c3)CC2=O)cc1 497378847 PWWYAXCCWYXZQK-SFHVURJKSA-N 415.331 3.765 0 50 HHAA Cc1ccc(Sc2ccc(CN3CCCN(C(=O)[C@H]4CCCO4)CC3)o2)cc1 1772809220 PKEWCDYXTYLDEF-HXUWFJFHSA-N 400.544 3.953 0 50 HHAA O=C(Cc1ccccc1O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356144502 ATSWHRJDVFUPJY-GIWBLDEGSA-N 414.505 3.526 0 50 HHAA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NC1CCCCC1 786570 XJBNIOWQTJIWOF-UHFFFAOYSA-N 406.935 3.984 0 50 HHAA CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 1109220 XKAUTOSZWMFOHZ-UHFFFAOYSA-N 408.545 3.503 0 50 HHAA O=C(c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)c1cccc(F)c1 1216129 RYEZKBSIRDDMSI-UHFFFAOYSA-N 424.497 3.568 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccccc4)C3)[C@@H]3CCCC(=O)N23)c1 2356158782 ZGCAQDBMBNVCAR-KJBBBAAKSA-N 418.537 3.780 0 50 HHAA COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2C1=O 2826657 LMZDSGUMMQPELQ-UHFFFAOYSA-N 407.253 3.878 0 50 HHAA CCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 2987922 DFFFXZNBMCLCHW-UHFFFAOYSA-N 420.840 3.690 0 50 HHAA O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccc1O 9426914 SEDDRXMDPTUPOB-UHFFFAOYSA-N 403.467 3.766 0 50 HHAA COc1cccc(N2CCN([C@@H](C(=O)O)c3cc(F)ccc3OC)CC2(C)C)c1 216346505 ATKLYPQGXSEQEA-HXUWFJFHSA-N 402.466 3.569 0 50 HHAA CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 253369601 FLBPPPZJVZBPKC-DHIUTWEWSA-N 423.557 3.691 0 50 HHAA O=C(NCC1(c2cccc(F)c2)CCCCC1)NC1CCN(C(=O)C2CC2)CC1 150330715 YYSBFWSGDJMXQV-UHFFFAOYSA-N 401.526 3.728 0 50 HHAA O=C1Nc2ccccc2[C@@]12C[C@H]2c1ccc2[nH]nc(I)c2c1 215766305 NZWUONSEXBGACW-YVEFUNNKSA-N 401.207 3.545 0 50 HHAA Cc1ccc([C@H]2SC[C@H]3C(=O)N(c4cnn(Cc5ccccc5)c4)C(=S)N32)cc1 20606288 CSFONXPSIMLRBX-PZJWPPBQSA-N 420.563 3.988 0 50 HHAA CC(C)n1ccc2c(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)cccc21 252537808 MKEIUTURJGHPGX-IMFGXOCKSA-N 400.548 3.887 0 50 HHAA OC1CCN([C@H]2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]2O)CC1 1565529788 OZSVQULOVJIIKH-GOTSBHOMSA-N 416.949 3.524 0 50 HHAA CC[C@H]1CN(Cc2ccccc2CS(=O)(=O)c2ccccc2)CCN1C(C)C 1506422477 BMZYMQAXQPIOCS-QFIPXVFZSA-N 400.588 3.965 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)cc1 5059644 RRQCGWTZZRBNNJ-OAQYLSRUSA-N 412.486 3.662 0 50 HHAA Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)s1 11934316 HDYDVHMORNWNMN-MRXNPFEDSA-N 419.572 3.847 0 50 HHAA COc1ccc2c(C)nc(N3CCC(N[C@H](C)CCCC(C)(C)O)CC3)nc2c1 12154732 OELDTOUSOXGUST-MRXNPFEDSA-N 400.567 3.835 0 50 HHAA Cc1csc(SCC(=O)N[C@H]2CCCN(c3nc4ccccc4s3)C2)n1 12303135 QKBPZKIEFDGBED-ZDUSSCGKSA-N 404.586 3.939 0 50 HHAA CCc1ccc(CN(C)C(=O)c2cccc(OC3CCN(C(=O)C4CC4)CC3)c2)nc1 12318999 NKBBVJJLRCXZFO-UHFFFAOYSA-N 421.541 3.696 0 50 HHAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 12458731 VIEJYFLCGXMKFK-NRFANRHFSA-N 423.538 3.977 0 50 HHAA COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CCC(=O)O)c1 328597110 DOBOCEIVKHABIY-SFHVURJKSA-N 416.861 3.900 0 50 HHAA O=C(/C=c1/nc(O)/c(=C/c2ccc(OCC3CC3)cc2)s1)c1ccc(Cl)cc1 1875262400 RNFALDCKQHOFHJ-ACXSEBCSSA-N 411.910 3.783 0 50 HHAA Cc1ccccc1NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1438893 MYNRBNOGGOKYFV-UHFFFAOYSA-N 406.463 3.592 0 50 HHAA CCOc1ccc(CN2CCC[C@]23CCCN(Cc2ccccc2)C3=O)cc1CO 2100482493 DINNUGROPGUGCH-VWLOTQADSA-N 408.542 3.735 0 50 HHAA Cc1cc(Br)c(S(=O)(=O)N2CCCc3c2ccc2nc[nH]c32)s1 2325828261 CDISHCYHUWPNQA-UHFFFAOYSA-N 412.334 3.837 0 50 HHAA Cc1ccccc1C(=O)Nc1c(C(=O)NCc2ccco2)cnn1-c1ccccc1 751924 DRCYPDUXZONKBV-UHFFFAOYSA-N 400.438 3.956 0 50 HHAA Cc1cc(I)ccc1NC(=S)NC(=O)/C=C/c1ccco1 1166686 JAYZOQGPJXKYNM-FNORWQNLSA-N 412.252 3.719 0 50 HHAA O=C(O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(F)c3)c2)cc1 1196852 LWVNGZVIUIURMB-UHFFFAOYSA-N 414.414 3.577 0 50 HHAA CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 1440905 JHSOSBOUGRYMPS-NRFANRHFSA-N 410.470 3.807 0 50 HHAA COc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCOCC2)cc1 4758754 RUQIFJRVERNAPN-UHFFFAOYSA-N 421.453 3.629 0 50 HHAA CCOC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccccc3OC)no2)cc1 4821442 QPAPDUPEOKKBNM-UHFFFAOYSA-N 409.442 3.883 0 50 HHAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OC 4907191 JQZUGTWYNIBZAH-SFHVURJKSA-N 401.850 3.624 0 50 HHAA COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OCCOC(C)C)c3C)C2)cc1OC 4911479 VOQKHRKXPJFFPQ-INIZCTEOSA-N 415.486 3.835 0 50 HHAA O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 8448199 LETMSSKQFGRAKI-JNVBVNAASA-N 423.468 3.575 0 50 HHAA COc1ccc2cc(CNCc3ccccc3F)c(N3CCC[C@H](CO)C3)nc2c1 11782218 XILQXIXJPVFADR-KRWDZBQOSA-N 409.505 3.881 0 50 HHAA CN1CCN(c2nc(-c3cccs3)ccc2C(=O)N(C)Cc2ccccc2)CC1 11999131 LDSDPBSLJYIKIG-UHFFFAOYSA-N 406.555 3.834 0 50 HHAA CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccsc2)C3)n1 12078847 ZZOGYIDCPKHGSK-AWEZNQCLSA-N 401.488 3.800 0 50 HHAA COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)o1 12448292 CXMVWGHACSHQAU-QGZVFWFLSA-N 407.426 3.719 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2ccc(OCC)c(CO)c2)C1 12472001 QMAUMZAPPZLPJB-VWLOTQADSA-N 411.542 3.966 0 50 HHAA O=C(Cc1ccsc1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccc(F)c2)C1 14985567 ULLAHDKNNLAJIH-QUCCMNQESA-N 400.519 3.512 0 50 HHAA CN(Cc1nccs1)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 14994041 OPXAKUSZEIJUBQ-AWEZNQCLSA-N 407.923 3.538 0 50 HHAA COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(C(=O)c1cn[nH]c1)C2 15067475 ULBWPAGOYDONKY-UHFFFAOYSA-N 413.861 3.782 0 50 HHAA CC(=O)c1cc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cs1 19761015 ZYKLLJCRICFUPB-IBGZPJMESA-N 401.551 3.876 0 50 HHAA O=C(CCCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)NCc1ccco1 41105538 YEYWTPWXCDFRGN-UHFFFAOYSA-N 413.449 3.753 0 50 HHAA Cc1nccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2Cl)n1 225718770 NRWJUFXRKPPYAS-GOSISDBHSA-N 416.909 3.873 0 50 HHAA Cc1ccc(C(=O)[C@H](C)Oc2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 239174155 PJXPUPWAJMKDTG-ZUGKTHCQSA-N 401.462 3.957 0 50 HHAA C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1 252457386 DPAWCTMOWSWQPZ-BZUAXINKSA-N 412.983 3.879 0 50 HHAA O=C(c1ccco1)N1CCN(C(=O)c2cc(Cc3cccc4ccccc34)no2)CC1 299776987 HIGVNMGSHMNWMR-UHFFFAOYSA-N 415.449 3.610 0 50 HHAA CC1(C)CN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)C[C@]2(CCOC2)O1 481072439 NQUYDTWSYPANSA-IBGZPJMESA-N 404.923 3.886 0 50 HHAA COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCc2cccn2C)cc1 824692127 QBCXTIRUXXPKBA-UHFFFAOYSA-N 406.438 3.567 0 50 HHAA biogenic O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)[C@H](c1ccccc1)N1Cc2ccccc2C1=O 888088830 SQXVFVPFHVOKLL-OYDLWJJNSA-N 417.553 3.764 0 50 HHAA C[C@@H](C(=O)N1CCC(c2noc3cc(F)ccc23)CC1)N1Cc2ccccc2C1=O 888105117 XOVGBAJJFFKHLX-AWEZNQCLSA-N 407.445 3.717 0 50 HHAA CC[C@@H]1CN(Cc2ccccc2CS(=O)(=O)c2ccccc2)CCN1C(C)C 1506422468 BMZYMQAXQPIOCS-JOCHJYFZSA-N 400.588 3.965 0 50 HHAA O=C1N[C@H]2c3ccccc3O[C@@]3(CCN(CC(F)(F)F)C[C@H]23)N1Cc1cccs1 1776005080 AJEFQLSNIDVSEH-HHXXYDBFSA-N 423.460 3.988 0 50 HHAA NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 1857528513 FNARUDORUXGBCT-NLFFAJNJSA-N 419.525 3.662 0 50 HHAA O=C(NCc1ccc(O)c(F)c1)c1cc2cc(I)ccc2[nH]1 1875253748 SVJPWCONEDNCJL-UHFFFAOYSA-N 410.186 3.547 0 50 HHAA CCc1ccc(-c2ccc(C(=O)N(CC(=O)NC)C[C@@H]3CCO[C@H]3C(C)C)o2)cc1 1875380691 WLBSZZMCFTXRIZ-CVDCTZTESA-N 412.530 3.758 0 50 HHAA O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)c1ccccc1F 730332 BVQQEFHMRLSSHZ-CYBMUJFWSA-N 402.491 3.927 0 50 HHAA Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(I)cc3)CC2=O)cc1 851725 CAYGRHYDXHMLDD-ZDUSSCGKSA-N 420.250 3.591 0 50 HHAA CSc1nc2ccccc2n1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 952711 QBBQMOMKXFOSTD-UHFFFAOYSA-N 415.540 3.621 0 50 HHAA CCc1ccc(C(=O)COC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1 1849330 VCUJTOPJOTZBES-UHFFFAOYSA-N 415.489 3.923 0 50 HHAA CC(C)C[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 2152454 RILZEOVYUUNZQA-SFHVURJKSA-N 413.857 3.777 0 50 HHAA O=C1S[C@@H](Nc2ccc(I)cc2)C(=O)N1c1ccccc1 2217394 GAOHVZOSSVANIO-CYBMUJFWSA-N 410.236 3.929 0 50 HHAA COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@@H]4C3=O)c2)c1 101875998 KQDZIQOOXXYAJF-ZFCZOSEKSA-N 402.450 3.649 0 50 HHAA CCOC(=O)N1Cc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 25692487 RZGRWUVROLKUMZ-QGZVFWFLSA-N 401.459 3.977 0 50 HHAA COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cn(C)c4ccccc34)C2)CC1 23374865 JDAMHLWBJLUCAM-JOCHJYFZSA-N 418.585 3.974 0 50 HHAA Cc1cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)nc(N2CCCC2)n1 67629611 GTZWOZHHMFHIDF-UHFFFAOYSA-N 416.529 3.893 0 50 HHAA CCO[C@H]1C[C@@H](NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)C12CCOCC2 471554240 GHCNBDOBAYUZGI-MSOLQXFVSA-N 410.436 3.901 0 50 HHAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@H](C)C3=CCCCC3)CC2)c1 824568751 SKDXGAIUGVZPPJ-INIZCTEOSA-N 400.519 3.561 0 50 HHAA CC(C)Cc1noc([C@H]2CCCN(S(=O)(=O)c3cc(-c4ccno4)cs3)C2)n1 821483436 ZOSMKTMSXWEMHH-ZDUSSCGKSA-N 422.532 3.553 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nc(-c5cccnc5)no4)C3)n[nH]2)cc1 952992138 ZHHIUWNXJTUPQX-GOSISDBHSA-N 414.469 3.850 0 50 HHAA Cc1cc(C)c(CN2CCN(C)CC2)cc1CN(C)Cc1nc2ccc(F)cc2[nH]1 952972823 JFDWSTYVVYXMDU-UHFFFAOYSA-N 409.553 3.698 0 50 HHAA COc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1Br 943522 MQEARBWJIKRDNH-VQHVLOKHSA-N 400.276 3.706 0 50 HHAA biogenic CC(C)NC(=O)CC1(N2Cc3ccccc3C2=O)CCN(Cc2ccccc2)CC1 1772501178 RVDHEJXGEINHMR-UHFFFAOYSA-N 405.542 3.592 0 50 HHAA O=C(c1cccnc1-c1nc2ccccc2s1)N1CCN(c2ccccn2)CC1 5321619 BQZUVSZUFTXETI-UHFFFAOYSA-N 401.495 3.716 0 50 HHAA COc1ccccc1-c1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)[nH]n1 11820020 TYBUGCYZPSUXQW-GOSISDBHSA-N 422.504 3.961 0 50 HHAA O=C1CC[C@@](CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)(Cc2ccccc2)N1 11871097 OUMLVUOPIHMDGG-ATIYNZHBSA-N 418.537 3.780 0 50 HHAA O=C(NC[C@H]1CCCN(C(=O)CCc2cn[nH]c2)C1)c1ccc(-c2ccccc2)cc1 11873899 NXTSJVWKMRPRCV-HXUWFJFHSA-N 416.525 3.678 0 50 HHAA Cc1cnc(C)c(-c2cc(F)c3c(c2)C[C@H](CNC(=O)c2ccccc2N(C)C)O3)n1 11970370 MMNPUWJPNACZRE-GOSISDBHSA-N 420.488 3.699 0 50 HHAA COc1cccc(OC)c1CN1CCC2(CC[C@@H](CNC(=O)c3ccccc3)O2)CC1 11971518 VKNORHZRJOYNDE-FQEVSTJZSA-N 424.541 3.647 0 50 HHAA C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCN(C4CCCC4)CC3)c2C1=O 12152146 FBVWBPWHHWZMMQ-OAHLLOKOSA-N 410.543 3.565 0 50 HHAA CCN1CCN(c2nc3cc4c(cc3cc2CNCc2cccc(F)c2)OCO4)CC1 12155576 PMMREDJLJBDQSM-UHFFFAOYSA-N 422.504 3.534 0 50 HHAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)CN(C)Cc2cccnc2)c1 12195079 JXTZUGFISLBNAH-JOCHJYFZSA-N 403.530 3.510 0 50 HHAA COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc(O)cc3)C2)c(OC)c1 12590724 WCZBNIZUDQDREQ-GOSISDBHSA-N 412.530 3.718 0 50 HHAA COc1ccc([C@@H](CC(=O)N2CCN(c3ccncc3)CC2)c2ccccc2)cc1 15065651 JEXNCZWKAMATON-DEOSSOPVSA-N 401.510 3.961 0 50 HHAA CNS(=O)(=O)c1ccc(N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c(F)c1 1776003426 OSFDFPOYSNDEOF-QGZVFWFLSA-N 420.403 3.828 0 50 HHAA Cc1c(-c2nc(-c3ccc(CN4CCCC4)cc3)no2)cccc1N1CCNC1=O 2325735963 LBAAPNZPFXZXIC-UHFFFAOYSA-N 403.486 3.837 0 50 HHAA CC[C@H](C)c1cc(C(=O)NCC(C)(C)CNC(=O)c2cc([C@@H](C)CC)no2)on1 2325736320 UVTAFDIRUUBSEH-KBPBESRZSA-N 404.511 3.876 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)C1 2325889467 RYKQGLFLYOJCQS-RHSMWYFYSA-N 423.376 3.567 0 50 HHAA CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccncc1 907595 ISXRXYBKTFNCLX-UHFFFAOYSA-N 403.895 3.753 0 50 HHAA CCOc1ccc(N2C=C(C(=O)OC)C(c3ccccc3F)C(C(=O)OC)=C2)cc1 1122563 MHGYBLHQJIKREP-UHFFFAOYSA-N 411.429 3.942 0 50 HHAA COc1cc(OC)c(CN2CCN(c3ccccc3F)CC2)cc1Br 1227183 VFKNULDFYVILEL-UHFFFAOYSA-N 409.299 3.928 0 50 HHAA CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(N)=O)c(Br)c1 2849101 RGEKIGDQLUGWBY-UHFFFAOYSA-N 405.292 3.863 0 50 HHAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(OC)cc2)cc1 4113514 OUBCGYLJZNONMI-NRFANRHFSA-N 410.470 3.855 0 50 HHAA Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(CCCO)C3=O)cc1C 4809697 QBVPVHRROMHRFS-NRFANRHFSA-N 411.889 3.980 0 50 HHAA O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1cccc(O)c1 9147029 RGHHHIIJAQYAFL-UHFFFAOYSA-N 403.467 3.766 0 50 HHAA Cc1nc(C)c(CN2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)nc1C 11753660 CFQUNHNXDRHOKA-QFIPXVFZSA-N 404.518 3.581 0 50 HHAA COc1ccc(-c2[nH]ncc2CN2CCCOc3c(cccc3OC)C2)c(OC)c1 12431269 ZTMFLPVXGSTXOH-UHFFFAOYSA-N 409.486 3.887 0 50 HHAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 12571643 IZBOBCVICSPNKG-QHCPKHFHSA-N 405.542 3.593 0 50 HHAA CCn1nc(C)c(CN(CCOC)C[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1C 12594109 WGYHTASHUZSTRV-QFIPXVFZSA-N 424.633 3.848 0 50 HHAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N(C)Cc1ccsc1)C2 14747000 WULAIGRNLHBHJN-SFHVURJKSA-N 400.592 3.826 0 50 HHAA O=C(NC1(c2ccccc2)CC1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 14981555 IKMOLEQRXQHPSA-UHFFFAOYSA-N 420.488 3.555 0 50 HHAA OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CCN1Cc1ccsc1 19743316 JWUHAPRIEALELE-LJQANCHMSA-N 416.978 3.656 0 50 HHAA Cc1nn2c(nnc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccc(F)cc1 40392070 PRMAJUFPKKRQGC-UHFFFAOYSA-N 405.458 3.858 0 50 HHAA CCCS(=O)(=O)N1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 95520955 MVIZBMSRBVLRQX-CQSZACIVSA-N 402.944 3.519 0 50 HHAA CCOC(=O)c1ccccc1NC(=O)c1nc(C)n(-c2ccc(OC(F)F)cc2)n1 261490522 CMIZGEWABFXXBY-UHFFFAOYSA-N 416.384 3.606 0 50 HHAA O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CCN(C(=O)c1cccnc1)CC2 299768012 HPGBOAJXDRKXQG-JOCHJYFZSA-N 417.553 3.952 0 50 HHAA CCS(=O)(=O)c1ccc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 302729633 UVMRTYKXNGBYAH-FQEVSTJZSA-N 408.951 3.619 0 50 HHAA Cc1nc2ccccn2c1CN1CCC(CNC(=O)[C@H]2CCc3ccccc32)CC1 827764149 UHGPAGAHMIVQBY-QFIPXVFZSA-N 402.542 3.701 0 50 HHAA Cc1c(C)c(C)c(C(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1C 1506414111 CJMSIHQTUMRFHW-UHFFFAOYSA-N 406.592 3.854 0 50 HHAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1529185873 RMNNORPDWKVCMY-FGZHOGPDSA-N 413.514 3.576 0 50 HHAA Cc1nc(N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c2cnn(C)c2n1 1704343696 XZXRFQPXNLPFIZ-XMMPIXPASA-N 411.513 3.613 0 50 HHAA CC1=C(CN2C[C@@H]3CN(C(=O)c4cnsc4)C[C@]3(CN(C)C)C2)C(C)(C)CCC1 1772814076 ILXHUMYDCIBOEN-XXBNENTESA-N 416.635 3.605 0 50 HHAA O=C(N[C@@H](Cc1cccc(Br)c1)C(=O)O)c1cc(C(F)(F)F)cs1 2325877057 IATBEOSUMLWNDW-NSHDSACASA-N 422.222 3.955 0 50 HHAA CCOc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(Cl)(Cl)Cl)c1 847621 BGPXPGQOVRRHOW-ZDUSSCGKSA-N 407.681 3.627 0 50 HHAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 852981 YEGXGQSCEIRUAR-NRFANRHFSA-N 418.522 3.895 0 50 HHAA Cc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1C 1146342 ZFZROANNWSZBTH-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA CCn1cc(NC(=O)c2cc(Br)cs2)c(C(=O)NCc2ccco2)n1 2731200 BZGDNGDBONMXBM-UHFFFAOYSA-N 423.292 3.502 0 50 HHAA O=C1[C@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1C[C@@H]1CCCO1 4361808 VGOXVPURXGSVDR-PWIZWCRZSA-N 401.846 3.579 0 50 HHAA O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2c(c1)OCCO2 4412857 ALYQWYKNVMSLLV-UHFFFAOYSA-N 408.376 3.566 0 50 HHAA CSc1ncc(Cl)c(C(=O)Nc2cccc(I)c2)n1 4820933 SUGRSRRCNCQJOQ-UHFFFAOYSA-N 405.648 3.709 0 50 HHAA COc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=N)NC2=O)cc1 5102648 JCNUJNNEPVPWOY-BOPFTXTBSA-N 404.875 3.945 0 50 HHAA CCOc1ccc(OCc2ccc(-c3nnc(S)n3C[C@@H]3CCCO3)o2)cc1 8324357 GYYFPDLGOCOBIM-INIZCTEOSA-N 401.488 3.984 0 50 HHAA O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(N3CCN(c4ccccn4)CC3)ncc21 9287086 VABFXTXAIFZXHY-KRWDZBQOSA-N 419.916 3.764 0 50 HHAA O=C(NC[C@@H]1CC(Cc2cccc(F)c2)=NO1)c1csc(Cc2ccccc2)n1 12050372 GPWPADBFZLZZDV-IBGZPJMESA-N 409.486 3.990 0 50 HHAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)Cc2ccc3c(c2)OCO3)c1 12072912 JLFFMDGSKGKSCK-FQEVSTJZSA-N 403.482 3.954 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C2CCN(C(C)=O)CC2)CC1 12092356 LQYMFSFEGZMQPY-UHFFFAOYSA-N 400.563 3.666 0 50 HHAA CC[C@H](O)CNC(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C 12126227 GOSZNFMURUROEM-HNNXBMFYSA-N 423.542 3.636 0 50 HHAA COC1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 12593454 JIWBXXJYYPVOLX-UHFFFAOYSA-N 405.498 3.938 0 50 HHAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCc2ccccc2F)CC1 14951691 RJTAKTBXBQRQFE-UHFFFAOYSA-N 404.869 3.799 0 50 HHAA CN(Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)CC1CCOCC1 15062705 LTZJXBDOKBVRDU-UHFFFAOYSA-N 423.623 3.506 0 50 HHAA O=C(c1cccn2c(=O)c3sccc3nc12)N1CCN(c2ccc(Cl)cc2)CC1 16607458 QIUBYRNZRCLNGN-UHFFFAOYSA-N 424.913 3.525 0 50 HHAA Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCN(C)CC2)CCCCC3)c1 55196285 GBQNQTSRJPDCDK-UHFFFAOYSA-N 411.571 3.965 0 50 HHAA CCCCn1c(CN(C)Cc2ccc3ncccc3c2)cnc1S(=O)(=O)CC 59311840 VYGHLJUHIQRLPK-UHFFFAOYSA-N 400.548 3.657 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4noc(Cc5ccccc5C)n4)c3CO2)cc1 169769073 NGANAVUTXVDIAK-LJQANCHMSA-N 403.442 3.507 0 50 HHAA O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169779717 IDVOYRGMQWBMMJ-UHFFFAOYSA-N 416.403 3.599 0 50 HHAA CC(C)Cn1ccc2cc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 206247204 ZOVKAQAIQNHUMM-HXUWFJFHSA-N 418.497 3.767 0 50 HHAA CC[C@H](C)[C@H](C(=O)N(C)C[C@H]1CCCN2CCCC[C@H]12)N1Cc2ccccc2C1=O 299754338 BGJGYRYEEYYBGW-CVNLYIMZSA-N 411.590 3.780 0 50 HHAA biogenic CC(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC12CCCCC2 437903112 ROLIFUQKCUTRRY-CRAIPNDOSA-N 407.917 3.912 0 50 HHAA Cc1noc2ncc(NC(=O)[C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cc12 463600986 RYWKMBFLCRAUST-KRWDZBQOSA-N 421.284 3.850 0 50 HHAA COCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1Cl 952975765 GMHLFGZHPAFXCS-IBGZPJMESA-N 401.894 3.528 0 50 HHAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc(-c3ccccc3Cl)o1)C2 1073266150 TVWHLMRLFXUKIV-CABCVRRESA-N 401.894 3.818 0 50 HHAA CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc2nc(O)oc2c1)c1ccc(Cl)cc1 1461921395 ZPIUISUYQQPPCT-DIFFPNOSSA-N 401.850 3.632 0 50 HHAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCc1ccc(CO)cc1 1857727962 HJPPGLNIWKGQRH-QGZVFWFLSA-N 413.905 3.896 0 50 HHAA Cc1n[nH]cc1CN(C)C(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857735204 MQCHBPIMQXEGEV-AWEZNQCLSA-N 401.898 3.778 0 50 HHAA O=C1C[C@H]2N(Cc3ccc4cccc(F)c4n3)CC[C@]23O[C@H](c2ccccc2)CN13 1857738132 SAQBCFBBJHUKCS-IMSXRSKXSA-N 403.457 3.648 0 50 HHAA C[C@@H](NC(=O)c1ccc2c[nH]nc2c1)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 1875257947 FBMBXJJPFQNDKP-OAHLLOKOSA-N 424.464 3.659 0 50 HHAA Cc1cc(-c2nc([C@@H]3CC34CC4)nn2C2CCN(C)CC2)c(C)n1-c1ccn(C)n1 2325872617 GJZKXVCYXPGOAO-IBGZPJMESA-N 405.550 3.620 0 50 HHAA O=C(C1CC=CC1)N1CCC[S@@](=O)(=NC(=O)C2(Sc3ccccc3)CC2)CC1 2332238206 FTLYDZKQQZJCKZ-NDEPHWFRSA-N 418.584 3.504 0 50 HHAA O=S(=O)(c1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1)N1CCOCC1 1031108 GWIMXAOCOXFYGK-UHFFFAOYSA-N 419.503 3.714 0 50 HHAA COc1ccc(Br)cc1C(=O)NCC1(c2ccccc2)CCOCC1 1164747 QJQRHWFCEJCWRK-UHFFFAOYSA-N 404.304 3.936 0 50 HHAA CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)c(OC)c3)N2C1=S 2777308 OFRSGGHMZGCSGZ-LAUBAEHRSA-N 421.522 3.648 0 50 HHAA biogenic CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(Br)o1 4943800 JTHWYJQEMFTROA-UHFFFAOYSA-N 406.236 3.763 0 50 HHAA Cc1cccc(OCC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 8602097 UJVGBIVYQQQWSC-UHFFFAOYSA-N 400.478 3.893 0 50 HHAA COCC(=O)N1CCC(n2c(-c3ccc(OC)c(OC)c3)nc3ccccc32)CC1 11911544 UTGCAMWHGDWLCR-UHFFFAOYSA-N 409.486 3.530 0 50 HHAA O=C1CC[C@@](CCC(=O)N2CC[C@H](c3ccccc3F)C2)(Cc2cccs2)N1 11998994 QBMPOKVKFPWIAF-KSFYIVLOSA-N 400.519 3.875 0 50 HHAA COc1ccc(/C=C/C(=O)N2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)cc1 12314576 VEPUHYQBWMRXOO-HAOIVFDCSA-N 401.453 3.830 0 50 HHAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)cc1 13509867 BBSGJJCYMKCJFZ-PTGBLXJZSA-N 400.478 3.825 0 50 HHAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2cnc(N3CCCC3)s2)C1 13594881 YEKBPMIUUUZIEC-OAHLLOKOSA-N 403.523 3.986 0 50 HHAA CCN(CC)[C@H]1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C)C1 14886879 HNRMMZVZMPYPBP-KRWDZBQOSA-N 424.574 3.564 0 50 HHAA O=C(O)c1c(F)c(Br)cc(Br)c1I 36532807 POGCJUZEBDDFMR-UHFFFAOYSA-N 423.801 3.654 0 50 HHAA Brc1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1 215974488 WTYKIOBQNRWDQP-UHFFFAOYSA-N 415.406 3.827 0 50 HHAA in-vitro C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1=O 230021090 VRMDBXIWIXSHAE-IOZGHAEBSA-N 419.525 3.788 0 50 HHAA Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Cn2cnc3sccc3c2=O)cc1 486881908 RYGSRTDBEAKHEZ-UHFFFAOYSA-N 421.526 3.888 0 50 HHAA O=C(NCC1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1)[C@H]1CCOC1 827778778 YMEYVIKOUJKMCX-KRWDZBQOSA-N 402.922 3.965 0 50 HHAA CC[C@H](C)C(=O)Nc1cccc(C(=O)NC2CCN(C3CCSCC3)CC2)c1 952962291 AEBDCBYBGLZBSG-INIZCTEOSA-N 403.592 3.761 0 50 HHAA O=C(Nc1cccc(CN2CCCC2)c1)c1cccc(OCC(=O)N2CCCCC2)c1 952982880 QCGXDOVRGCBQTG-UHFFFAOYSA-N 421.541 3.926 0 50 HHAA c1ccc(-c2nc(-c3nnc([C@H]4CCn5cncc5C4)o3)nn2-c2ccccc2)cc1 1326068293 VNEDINBRFIHZPP-KRWDZBQOSA-N 409.453 3.911 0 50 HHAA Cc1cc([C@H](O)[C@H](C)NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1F 2325861074 DZMMAYIVZWPDCH-JJEOQYAHSA-N 420.484 3.844 0 50 HHAA O=C1C[C@H](C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)c2ccccc2N1 2356147621 FVXISAAEMKKZFM-IBGZPJMESA-N 415.493 3.684 0 50 HHAA CCCN1CCC[C@]2(CCCN2C(=O)CC2CCN(Cc3ccccc3)CC2)C1=O 2356147645 HHWVQIZTZKUOSW-VWLOTQADSA-N 411.590 3.682 0 50 HHAA O=C(NC[C@H]1CCCO1)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 720060 SJMCCTRJCUKKBE-SNVBAGLBSA-N 412.849 3.655 0 50 HHAA Cc1cc(C)c(OCC(=O)N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)c(C)c1 1152065 DNZMMSZLQIWZJK-HXUWFJFHSA-N 406.404 3.878 0 50 HHAA COc1ccccc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccccc1 1173616 KHRALYQRGSXMCQ-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA O=C1N[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 4163733 DJBWFJHVCRDNDT-VBQJREDUSA-N 416.758 3.583 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1)c1ccco1 4749273 DSRMZTWCZRHRBH-UHFFFAOYSA-N 400.500 3.779 0 50 HHAA CCCCOc1ccc(Br)cc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC 5014120 XGEMESROWVVSNW-MRXNPFEDSA-N 411.296 3.819 0 50 HHAA Cc1nn(C)c(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)c1Br 6526069 TZLNRKUCKYHIRU-UHFFFAOYSA-N 418.339 3.865 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cn3cc(C)ccc3n2)C1 11819868 VOVBKOZIJQAEPM-VWLOTQADSA-N 419.525 3.979 0 50 HHAA C[C@H]1CN(CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 11910228 AHEOTJSPZQIZCU-SIKLNZKXSA-N 406.526 3.781 0 50 HHAA Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)c1ccc(-n3cccn3)cc1)C2 11972021 OFVSMAVRMSIQPC-OAQYLSRUSA-N 410.477 3.976 0 50 HHAA O=C(/C=C/c1ccccc1Cl)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 12243866 GCRMXBPPSQEHDH-IWWVCJNBSA-N 409.917 3.788 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1 12386874 AQBLABXAZCDZSR-HXUWFJFHSA-N 420.509 3.913 0 50 HHAA Cc1cccc(Cc2nnc(CCC(=O)N(C)[C@H](C)c3ccc4c(c3)OCCO4)o2)c1 12701492 VOKDIBQAEUGTHA-QGZVFWFLSA-N 421.497 3.892 0 50 HHAA CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 13563940 OTQDLQQBDUZGJH-ZHSNQQFMSA-N 422.493 3.549 0 50 HHAA CN(Cc1cc2ccccc2s1)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 14755449 RPFVAFQMGFCXCM-QGZVFWFLSA-N 408.571 3.860 0 50 HHAA CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@@H](C)C1 14956565 BSVSVQFTYQSGHE-QGZVFWFLSA-N 410.514 3.829 0 50 HHAA Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CCN([C@H](C)Cc2cccnc2)CC3)cc1 14996603 GWORXNYQGUOQHR-QPPBQGQZSA-N 421.585 3.961 0 50 HHAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccn2)CC1 15074999 UMIRTOXBHHQVKV-UHFFFAOYSA-N 405.502 3.523 0 50 HHAA C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 241317031 LXGDZIWVBSZLMJ-DDUZABMNSA-N 409.910 3.951 0 50 HHAA C[C@@H]1C(=O)Nc2cc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)ccc2N1C 426023238 SSJHVDOILQLXMP-OAHLLOKOSA-N 400.482 3.874 0 50 HHAA CC[C@@H](NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)c1cnn(C)c1 426389623 KTEJXVNQOFTRNT-LJQANCHMSA-N 413.547 3.526 0 50 HHAA CO[C@@H]1Cc2ccc(NC(=O)c3ccc4c(c3)nc(O)n4CC(F)(F)F)cc2C1 753045843 JJBPGGINUPJPOL-OAHLLOKOSA-N 405.376 3.670 0 50 HHAA Fc1ccc2cnc(N3CCC(NCCN4CC[C@H](c5ccccc5)C4)CC3)nc2c1 826607812 ZWLAMHSUYSFJMN-NRFANRHFSA-N 419.548 3.817 0 50 HHAA COc1ccccc1CN(CCc1ccc(F)cc1)C(=O)C(C)(C)N1CCOCC1 952978145 KDEHQYABOSZWNA-UHFFFAOYSA-N 414.521 3.516 0 50 HHAA NC(=O)c1cccnc1N1CCN(Cc2ccc(SC3CCCCC3)o2)CC1 952980240 DOTUNLLKYGYUMR-UHFFFAOYSA-N 400.548 3.521 0 50 HHAA CCOc1ccc2nc(N3C[C@H](C(=O)NCCc4ccccc4C)CC3=O)sc2c1 1857701905 XTLUQRQSQJPKGO-QGZVFWFLSA-N 423.538 3.715 0 50 HHAA CS(=O)(=O)c1ccc(-c2nccn2[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 1857729033 RYFACMQSIJZRSA-OAHLLOKOSA-N 415.902 3.585 0 50 HHAA C[C@H](O)COc1ccccc1CNCc1ccc(OCc2cn3ccccc3n2)cc1 1875257129 SWXOSXRCHHXTQH-IBGZPJMESA-N 417.509 3.963 0 50 HHAA O=C(Nc1ccc(F)c(Br)c1)N[C@H](C(=O)O)[C@H]1CCc2ccccc21 1875323894 WERYDFHVNCVSEO-BBRMVZONSA-N 407.239 3.893 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N2Cc3cccc(Br)c3C[C@@H]2CC)C1 1875371800 MKHOEBZPXAPNAC-HOTGVXAUSA-N 405.336 3.537 0 50 HHAA CC(C)c1cc(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)ccc1OCc1ccccc1 2325853663 YITODLCNLPJZPP-NYVOZVTQSA-N 415.555 3.923 0 50 HHAA Cc1nc2cc(NC(=O)C[C@@H](CN)c3ccc(Br)s3)ccc2n1C 2325861695 YDJOFLJUFIEZPV-NSHDSACASA-N 407.337 3.777 0 50 HHAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C1)CC2 2356160456 SRZKELUOSYOXGM-FQEVSTJZSA-N 404.436 3.682 0 50 HHAA Cn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1cccc(N)c1 694031 FXRAUJOWIIUHFS-UHFFFAOYSA-N 403.305 3.802 0 50 HHAA COc1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cc1OC 826495 VXGVPDCEHRWBBS-UHFFFAOYSA-N 422.201 3.629 0 50 HHAA COc1ccc(CNCCNC(=O)c2ccccc2F)cc1OCc1ccccc1 2851271 OPYARQHVTPSKEJ-UHFFFAOYSA-N 408.473 3.933 0 50 HHAA Cc1ccccc1-n1c(SCC(=O)Nc2nc3ccccc3s2)nc(O)cc1=O 2875038 CJAMUMMWKMJRPG-UHFFFAOYSA-N 424.507 3.587 0 50 HHAA COc1ccccc1N(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 2981867 GZJQUZWRCUMSIB-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA COc1ccc(CCN2C(=O)CC[C@H](C(=O)O)[C@@H]2c2ccc(Cl)cc2)cc1OC 4759737 UCMMELSTVMGLSK-UWJYYQICSA-N 417.889 3.964 0 50 HHAA O=C(CCC1CCN(Cc2ccc3nonc3c2)CC1)Nc1ccc2c(c1)OCCO2 12092063 RPZXVHTZPDHKMB-UHFFFAOYSA-N 422.485 3.625 0 50 HHAA C[C@H](NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)c1ccc2[nH]ccc2c1 46018848 OQDSAXXPSSDUCA-ZDUSSCGKSA-N 405.410 3.955 0 50 HHAA CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2)c(C)n1 20608243 NSPVAXBNKQRUOV-UHFFFAOYSA-N 417.506 3.750 0 50 HHAA Cc1noc(CCN2CC(O)=C(c3nc(-c4ccc(Cl)cc4)cs3)C2=N)n1 252527782 DIWJSFSUQQZUBG-UHFFFAOYSA-N 401.879 3.960 0 50 HHAA Cc1sc2ncnc(SCC(=O)OCc3cc4ccccc4[nH]c3=O)c2c1C 170626523 CTASWFJWFGUYRL-UHFFFAOYSA-N 411.508 3.985 0 50 HHAA COc1nc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2)cc2ccccc12 170632927 OECASSRHEABCKV-IBGZPJMESA-N 407.495 3.706 0 50 HHAA Cc1cc(CN2CCC(C)CC2)c(C)c(CN2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)c1 1529133491 MBSKLPGLJLNMCI-ILBGXUMGSA-N 411.590 3.867 0 50 HHAA COc1ccc(C(=O)NC[C@H]2Cc3cccc(-c4ncccc4C)c3O2)cc1OC 11791457 JEUAIKKBESSPSY-GOSISDBHSA-N 404.466 3.808 0 50 HHAA COc1ccc(/C=C/C(=O)NCc2nnc(SCc3ccc(F)cc3)n2C)cc1 12038632 IGPQPBRGPLDOBD-KPKJPENVSA-N 412.490 3.585 0 50 HHAA COc1ccc(CNCc2ccccc2Cl)cc1OC[C@H](O)CN(C)C(C)C 12224771 BGTPLRYIDYHLEI-LJQANCHMSA-N 406.954 3.718 0 50 HHAA COc1ccc(-n2ncc([C@@H](C)NC3CCN(Cc4ccccn4)CC3)c2C)cc1 12430697 VCPSIEKAXFTQFG-GOSISDBHSA-N 405.546 3.900 0 50 HHAA CCCCn1c(CN2CCC[C@@H](COC)C2)cnc1S(=O)(=O)CCCC(C)C 12439036 GQQAFFIQFSYFKG-LJQANCHMSA-N 413.628 3.752 0 50 HHAA CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)C(=O)c2ccccc2)CC1 12471574 ZPUFMDNJJMBVJT-UHFFFAOYSA-N 409.482 3.510 0 50 HHAA CC(C)CN1C[C@@H](OCc2ccccc2)CN(Cc2cccc3nccnc23)CC1=O 14745230 DGTYNKJIHHYFGW-QFIPXVFZSA-N 418.541 3.515 0 50 HHAA Oc1nc(-c2cccnc2)nc2c1CC[C@@]21CCCN(c2cnc3ccccc3n2)C1 1857701159 QYFIEWOCRJHGAY-XMMPIXPASA-N 410.481 3.672 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(C(=O)NCC[C@H]2CC[C@@H](N)C2)C1 952894610 SEKCCJCGCVEZIQ-VQIMIIECSA-N 413.541 3.623 0 50 HHAA O=C(NCCC12CC(CO1)C2)NC[C@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 1875352388 DZRYDOOOVYXSHV-SSSUMRQXSA-N 405.498 3.715 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N2Cc3cccc(Br)c3C[C@H]2CC)C1 1875371802 MKHOEBZPXAPNAC-JKSUJKDBSA-N 405.336 3.537 0 50 HHAA O=C(Cc1cc(O)nc(O)n1)N[C@H](CC(F)(F)F)c1cc(Cl)cc(Cl)c1 2325877338 OXWYNEPFUGMNOL-LLVKDONJSA-N 410.179 3.547 0 50 HHAA CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OCC(=O)OC 630478 VEOGWCUFEVYVEG-UHFFFAOYSA-N 410.422 3.654 0 50 HHAA biogenic Cc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Br)cc1 2791655 PASMWEQESCUKQS-UHFFFAOYSA-N 424.295 3.942 0 50 HHAA O=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 2883278 JWGHNFVMQIHJCA-WMZOPIPTSA-N 419.535 3.757 0 50 HHAA COc1ccc(-c2nc(S[C@@H]3CC(=O)N(c4cccc(C)c4C)C3=O)n[nH]2)cc1 5447728 ISZTYBAUNHWEJK-QGZVFWFLSA-N 408.483 3.521 0 50 HHAA CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3N2)cc1 6760263 BTTQUKQEJKPQNI-IRXDYDNUSA-N 408.424 3.578 0 50 HHAA CCc1nccn1CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 11754211 ULKCBFMVZPXIAM-LJQANCHMSA-N 409.509 3.990 0 50 HHAA O=C(CSc1ccccn1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 11934508 WFYAFOYAJWKXQC-MRXNPFEDSA-N 400.454 3.831 0 50 HHAA C[C@@H](c1ccon1)N(C)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 12041239 YOHOSSXKWIEJSP-ZFWWWQNUSA-N 405.882 3.631 0 50 HHAA O=C1N[C@@H](CC(=O)N2CCC(c3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 12048100 KYCUSFXCUQMRSZ-QFIPXVFZSA-N 412.493 3.724 0 50 HHAA O=C(NC[C@H]1COCCO1)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 12056346 RSTKYNUGHZKVKY-HNNXBMFYSA-N 406.360 3.659 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CCc2ccncc2)C1 12308060 JMRVLHCROFIHOG-HSZRJFAPSA-N 416.468 3.707 0 50 HHAA O=C(CC[C@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1)NCc1ccccc1F 12443713 NZHIDPSVMXMOIR-GOSISDBHSA-N 422.504 3.511 0 50 HHAA CCN1CCC(C(=O)N(CC)C[C@@H]2CCCN(CCc3cccc(F)c3)C2)CC1 12711559 XLWNDVDNCSQBDS-OAQYLSRUSA-N 403.586 3.661 0 50 HHAA CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 15064777 VRBIAZNCKNWKOL-FQEVSTJZSA-N 402.516 3.505 0 50 HHAA c1ccc(N2CCN([C@@H]3CCCN(Cc4cccn4-c4cccnc4)C3)CC2)cc1 19850327 MEVNRZDQSGVIQU-XMMPIXPASA-N 401.558 3.659 0 50 HHAA Cc1ccc(CN2CCN(C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@@H]2CCO)o1 19852277 NEFRKAQYPPHMLQ-VWLOTQADSA-N 423.601 3.614 0 50 HHAA CCOCc1cc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)ccc1OC 39544156 IUCOADGZYWEGDB-HSZRJFAPSA-N 404.595 3.681 0 50 HHAA COC(=O)c1ccc(CN(C)C[C@@H]2CCCN(CCc3ccc(OC)cc3)C2)cc1 55182722 XFTGIUVHKCGTJK-QFIPXVFZSA-N 410.558 3.868 0 50 HHAA Cc1nc(N2CCC(C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C43CC3)CC2)nc2ccccc12 104450099 MFEISVZVLZXBLP-SFHLNBCPSA-N 402.542 3.873 0 50 HHAA C[C@H](NC(=O)CN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccco1 248376507 CTXQLJAJRMODIG-LRDDRELGSA-N 410.301 3.867 0 50 HHAA O=C(CCc1nc2cccnc2[nH]1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 1258055200 HKTSJWSBLNDOIY-NRFANRHFSA-N 400.482 3.653 0 50 HHAA Cc1ccc(C)c(OCCc2nnc(NC(=O)C[C@H]3NC(=O)c4ccccc43)s2)c1 1529181654 TXDWOKWHAQTJKE-QGZVFWFLSA-N 422.510 3.590 0 50 HHAA Cc1n[nH]c(C)c1CNC(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857700618 XLLCPUGCILQGOL-CQSZACIVSA-N 401.898 3.744 0 50 HHAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCC(C3CCNCC3)CC1)O2 1857701688 TZDBTAYMWRBDIE-XMMPIXPASA-N 400.563 3.639 0 50 HHAA Cc1ccc(CN(C)c2ccc(C(=O)N3CCN[C@@H](c4ccncc4)C3)cc2)cc1 1875252342 FJVFTRJMDADFBI-XMMPIXPASA-N 400.526 3.813 0 50 HHAA O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1Cc1ccccn1 2325750258 ROBONMABLFRKPJ-FQEVSTJZSA-N 414.509 3.843 0 50 HHAA Cc1ccc(C[C@@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]2C)cc1 1207106 BJAJDJPXPQLWCD-DYVFJYSZSA-N 419.262 3.968 0 50 HHAA Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C(=O)O)c2)c1 3154684 LJTVDPOKWKJYBL-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA OCC[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CCN1C1CCCCC1 23358109 QWEXDTVSFOLJSD-FQEVSTJZSA-N 402.970 3.727 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c(C)c1C 23145674 IAUOFQLPOPMPBS-FQEVSTJZSA-N 404.501 3.659 0 50 HHAA CCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 252430683 DGGHMAFBVJJZQE-LDVJMBRRSA-N 414.505 3.945 0 50 HHAA Cc1ccc2nc([C@H](NS(=O)(=O)c3ccc(-c4ccno4)o3)C(C)C)[nH]c2c1 670458674 XZVQCHKZSSAPBA-GOSISDBHSA-N 400.460 3.795 0 50 HHAA Cc1csc(CCCNC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 170617682 KDEJBRWCAPVMCZ-IRXDYDNUSA-N 411.493 3.811 0 50 HHAA Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN[C@@H]2CCC[C@@H]2Cc2ccccc2)n1 170607280 HAZYCDDSJJFPDZ-NHCUHLMSSA-N 418.545 3.527 0 50 HHAA Cn1c(CNC(=O)/C=C/c2cccc(F)c2)nnc1SCc1ccc(F)cc1 11814650 RUFROMDPNUHMEJ-JXMROGBWSA-N 400.454 3.715 0 50 HHAA CCN(CC)CCNC(=O)c1sc2ncnc(NCc3ccccc3F)c2c1C 12037726 PLNDQJNCKGCPNU-UHFFFAOYSA-N 415.538 3.823 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](C(=O)c3ccccn3)C2)c(OC)c1 12430572 JOHJFVUCKAYXSO-MRXNPFEDSA-N 406.486 3.584 0 50 HHAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3ccccc3)CN(CC(C)C)C2)cn1 14743915 IKDWQEBZCVNEIC-XZOQPEGZSA-N 409.574 3.722 0 50 HHAA CC(C)CN1C[C@@H](C(=O)N2CCCCC2)C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C1 14748627 SZONJZNFKUOFCY-YADHBBJMSA-N 411.590 3.720 0 50 HHAA O=Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 14966359 RSDGMFYETNPCTR-INIZCTEOSA-N 414.452 3.726 0 50 HHAA Cc1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCC3)c2)cc1 16115628 KSMUQFNSQWEMFS-UHFFFAOYSA-N 423.332 3.794 0 50 HHAA O=C(N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1)c1cc(F)ccc1F 169775337 WMKMZICNKHEXJG-MRXNPFEDSA-N 400.404 3.893 0 50 HHAA Cc1ccc(C(=O)N2CC[C@@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1C 169781376 BDSSFXLEMUEIDG-LJQANCHMSA-N 414.469 3.699 0 50 HHAA Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2c1CCC2 1875321739 SYSCNIMMEXGRAK-UHFFFAOYSA-N 414.469 3.529 0 50 HHAA COc1cccc([C@@H](CNC(=O)CC2(C(=O)O)CC2)c2c[nH]c3ccccc23)c1OC 1875329944 LXOIGFANDNUEDC-GOSISDBHSA-N 422.481 3.688 0 50 HHAA Cn1cc([C@H](NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c2ccccc2)cn1 1323278637 OEFHAJVJOAWFIR-RTBURBONSA-N 418.419 3.561 0 50 HHAA COc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc(OC)c1OC 1020951 MDMQYYHDDVHXLT-AUWJEWJLSA-N 418.243 3.819 0 50 HHAA CC(C)[C@@H](NC(=O)c1n[nH]c2cc(OC(F)(F)F)ccc12)[C@@H](O)c1ccccc1 2325876133 LICNFMYYINXICH-AEFFLSMTSA-N 407.392 3.950 0 50 HHAA C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 245237175 FWZCQWCDPGAPFG-SOLBZPMBSA-N 412.500 3.696 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CCC[C@H](C)C2)c1 825858 NLXLJWLFTNXLLP-HGQUKEQDSA-N 404.532 3.619 0 50 HHAA COc1cccc(NC2=C(Cl)C(=O)N(c3ccc(Br)cc3)C2=O)c1 946304 RLNIGJGUYARJCT-UHFFFAOYSA-N 407.651 3.893 0 50 HHAA CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 1113186 KVXNZELGKSPJIK-UHFFFAOYSA-N 419.355 3.975 0 50 HHAA O=C1OCC2=C1[C@H](c1cccc(Br)c1)CC(=O)N2c1cccc(F)c1 1429609 OZDIAYVSJKJXOB-HNNXBMFYSA-N 402.219 3.920 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)CC1 4472805 HCPPLAMBJOCPSA-QGZVFWFLSA-N 402.516 3.513 0 50 HHAA COc1ccc(-c2noc(CCC(=O)NCCc3c[nH]c4ccccc34)n2)cc1OC 6667849 TWNRWFXOVQWLPT-UHFFFAOYSA-N 420.469 3.527 0 50 HHAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(C(=O)CCn2cncn2)C1 11838408 QWQWTRCNNBYYQL-IBGZPJMESA-N 406.461 3.596 0 50 HHAA CN(CCC1CCOCC1)Cc1ccccc1OC[C@H](O)CN(C)C1CCCCC1 11934541 LTWNDJXSVFBICG-XMMPIXPASA-N 418.622 3.939 0 50 HHAA O=C([C@@H]1CC12CCN(C1Cc3ccccc3C1)CC2)N1CCN(c2ccccc2)CC1 12165528 AXMUNCSOQUGCCY-VWLOTQADSA-N 415.581 3.605 0 50 HHAA CCN(Cc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 12306327 ZCUMKJZEGNTIHV-QGZVFWFLSA-N 411.930 3.549 0 50 HHAA COc1cccc(CN2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)c1OC 12449868 UXUSRDHVLYTVKC-IRLDBZIGSA-N 408.542 3.759 0 50 HHAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)NCCc2ccccc2)CC1 12478403 ZKONKXPQFIKKIJ-FQEVSTJZSA-N 402.535 3.543 0 50 HHAA Cc1noc(C)c1CC(=O)N1CCC[C@@H](CNC(=O)c2cccc3ccccc23)C1 12590258 ZVZXYSRZWFGTIT-SFHVURJKSA-N 405.498 3.656 0 50 HHAA O=C1NC(=O)[C@](CCc2ccccc2)(C2CCN(CCCc3ccccc3)CC2)N1 14880706 ZDOINIBUFSKHFJ-VWLOTQADSA-N 405.542 3.542 0 50 HHAA CN(Cc1cccc(OCCNC(=O)[C@@H]2CCCO2)c1)Cc1cccc2cccnc12 14881799 OZPUPBKGYLBNHY-QHCPKHFHSA-N 419.525 3.541 0 50 HHAA O=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)c3ccco3)CC2)cc1 14966469 VPUICXSGYDBXGO-UHFFFAOYSA-N 418.493 3.936 0 50 HHAA O=C(NCc1ccccc1)c1cccc(OC2CCN(Cc3ccc(CO)o3)CC2)c1 14975846 SHMXVHWUDCCCLS-UHFFFAOYSA-N 420.509 3.745 0 50 HHAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCOCC4)C3)cc2)c1 15067513 UXSXALNTEWHGID-OAQYLSRUSA-N 422.525 3.966 0 50 HHAA O=C(NC[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1)c1cc2ccccc2[nH]1 15078565 MQTRQGGSGOFOAN-XUDAUXSOSA-N 423.538 3.610 0 50 HHAA Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 18116915 LRDUCSYAQVBLJK-INIZCTEOSA-N 419.506 3.938 0 50 HHAA COc1ccccc1CN1CCN(Cc2cc(Br)ccc2OC)CC1 19361675 FIXSENWVSWXVNK-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA Cc1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1Br 20494433 AQHCTANDSZTGJK-UHFFFAOYSA-N 416.363 3.904 0 50 HHAA Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 22298777 VLFKLHBWWGECIT-OAQYLSRUSA-N 400.950 3.699 0 50 HHAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN2[C@@H](C)CC[C@H]2C)C[C@@H](C)O1 71762710 MOCLCKDIZWGCCZ-GEEKYZPCSA-N 404.942 3.610 0 50 HHAA C[C@H]1C[C@@H](c2cccnc2)N(C(=O)COc2ccc(I)cc2)C1 170594674 AWPYDMKHJFQTIN-GUYCJALGSA-N 422.266 3.675 0 50 HHAA COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c(O)c2ccccc2oc1=O 218128203 LZCHAYIJZGNQLP-KRWDZBQOSA-N 418.405 3.776 0 50 HHAA biogenic Cc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc5c(c3)OCO5)OC4)n2)cc1 263617900 QGFYBCRPPRMTSV-HXUWFJFHSA-N 402.410 3.909 0 50 HHAA CCC(CC)C(=O)N1CCC(NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)CC1 431331351 GDSYCFDCXVNAAT-UHFFFAOYSA-N 418.553 3.708 0 50 HHAA CN(CCOc1cccc(Cl)c1)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 913129555 SOCIPGYUARXMAW-FQEVSTJZSA-N 400.906 3.872 0 50 HHAA COCC(=O)Nc1ccc(Cl)c(NC(=O)c2nc3ccc(Cl)cn3c2F)c1 952974928 PKDXPPDBZBHJLH-UHFFFAOYSA-N 411.220 3.617 0 50 HHAA CCCCn1ncc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1 1529198976 QYCJDLREXRKNGE-AWEZNQCLSA-N 404.898 3.645 0 50 HHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccccc3NCc3ccccn3)C1)CC2 1704300682 ULKIHQIKNVZKJK-RUZDIDTESA-N 413.525 3.912 0 50 HHAA C[C@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C(C)(C)CO1 1875256373 BBLKKWXXBPTLJS-ZDUSSCGKSA-N 400.479 3.774 0 50 HHAA O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCC[C@H]1C[C@@H](O)c1ccccc1 1875330669 XOZYEFWCLDWVSP-DOTOQJQBSA-N 407.436 3.967 0 50 HHAA COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 675425 XHJREGWGJHOGLP-UHFFFAOYSA-N 424.522 3.697 0 50 HHAA COc1ccc(CNC(=O)c2ccccc2C(=O)NCc2ccc(OC)cc2)cc1 1018989 XMPJTEVYPCBGRG-UHFFFAOYSA-N 404.466 3.564 0 50 HHAA CN(C(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)C1CCCCC1 1114642 GKLSPZHMNUHCEZ-UHFFFAOYSA-N 405.498 3.770 0 50 HHAA CCOC(=O)C1CCN(C(=O)COc2ccc(C(C)C)cc2Br)CC1 1141607 FXVUZBAVWKCEGU-UHFFFAOYSA-N 412.324 3.753 0 50 HHAA CCc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 1179446 XSFXLWPCRWZLJT-UHFFFAOYSA-N 409.549 3.949 0 50 HHAA CCOC(=O)CCc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)OCC)cc2oc1=O 2447852 DAGRBLQXDVQERD-GFCCVEGCSA-N 410.850 3.581 0 50 HHAA CC(C)(C)SCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 2993193 DDICPWCRXWQAHD-UHFFFAOYSA-N 406.573 3.530 0 50 HHAA COc1c(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc(Cl)c1Cl 4139774 RIYZCULVLIADFC-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA COc1ccccc1-c1cn2c(C(=O)N(Cc3cnn(C)c3)C(C)C)csc2n1 11661212 JBUHNFUMSBLXAX-UHFFFAOYSA-N 409.515 3.856 0 50 HHAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc2nccnc2c1 12192659 HSVDMBYPYUTLGV-SFHVURJKSA-N 406.505 3.796 0 50 HHAA O=C(CCc1nnc(CCc2ccccc2)o1)N[C@H](c1cccnc1)C(F)(F)F 12387843 WBEUNALDEGKZPV-LJQANCHMSA-N 404.392 3.602 0 50 HHAA C[C@H]1CN(CCC(=O)N(C)C[C@@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 12456618 GEAJAEVKGHTLRC-OXJNMPFZSA-N 402.922 3.505 0 50 HHAA CN(C)Cc1ccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)o1 12711710 KWVLHJICAZCAIZ-IBGZPJMESA-N 401.526 3.507 0 50 HHAA COc1ccccc1/C=C/CN1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1 12712192 COXYOUAHQWCFHN-SOFGYWHQSA-N 411.590 3.507 0 50 HHAA CC(C)=CCC[C@H](C)CN1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 14980538 AZWYUZJTAYIZQH-KRWDZBQOSA-N 413.566 3.659 0 50 HHAA COc1cccc(N2C(=O)CN(C(=O)c3cc(C)nc4ccc(C)cc34)C[C@@H]2C)c1 14990542 QGOXTEPWBMHEIS-KRWDZBQOSA-N 403.482 3.738 0 50 HHAA O=C(/C=C/c1cccc(F)c1)N1CCC(Oc2cccc(CN3CCOCC3)c2)CC1 15071685 GZNKZDOARQKSAT-BQYQJAHWSA-N 424.516 3.741 0 50 HHAA COC(=O)CCC/C=C\C[C@@H]1[C@H](O)C[C@H](F)[C@@H]1/C=C/[C@H](O)C1Cc2ccccc2C1 27645816 SUQUNXDCROKALM-LKWOJFCDSA-N 416.533 3.943 0 50 HHAA in-vitro O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38528205 PKBBSRMCCXPQJY-UHFFFAOYSA-N 413.525 3.706 0 50 HHAA CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1ccccc1C(F)(F)F)CCO2 67772252 BGFOJKATQFWEPY-NRFANRHFSA-N 408.464 3.869 0 50 HHAA COc1ccc(Cc2nc(NC(=O)c3cn(C(C)C)c(=O)c4ccccc34)n[nH]2)cc1 170625093 WNRMNXGFSJKXMG-UHFFFAOYSA-N 417.469 3.552 0 50 HHAA Cc1cc(N2CCC[C@@H](NCc3cc4cnn(C(C)C)c4nc3Cl)C2)nc(C)n1 731452356 YZHZSKGXZSERBQ-GOSISDBHSA-N 413.957 3.831 0 50 HHAA Cc1nc(C(=O)N[C@@H](CCO)Cc2ccccc2)nn1-c1c(Cl)cccc1Cl 799808671 WXJSRCWCHSXEAQ-HNNXBMFYSA-N 419.312 3.606 0 50 HHAA O=C(NC[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1)c1cncnc1 828202242 PGFQINKDBLQWAN-CQSZACIVSA-N 400.935 3.987 0 50 HHAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)Cc1cc2c(cc1Cl)OCCO2 952975471 NWDYCFFWJSBKSF-UHFFFAOYSA-N 414.889 3.837 0 50 HHAA CCCC(=O)c1cn(CC(=O)N2CCCN(C(=O)c3ccco3)CC2)c2ccccc12 1506405985 ITFQVECXDFYORV-UHFFFAOYSA-N 421.497 3.592 0 50 HHAA COC(=O)c1nc(N2CCN(c3cc(Cl)ccc3C)CC2)c2sccc2n1 2325863229 AXZNLTPOZPQWNA-UHFFFAOYSA-N 402.907 3.766 0 50 HHAA COc1ccc(CCC(=O)N2CCC[C@@]23CCCN(c2ccc(C)cc2)C3=O)cc1O 2356138896 SCLFLRXBDSCCMS-RUZDIDTESA-N 422.525 3.830 0 50 HHAA O=C1c2ccc(Br)cc2C(=O)N1CNc1ccc(Br)cc1 639196 NLUJGOJQXZIPMH-UHFFFAOYSA-N 410.065 3.877 0 50 HHAA COc1cc(C(=O)NCc2ccc(CC(C)C)nc2SC)cc(OC)c1OC 719086 CWEOOHVTARGFBM-UHFFFAOYSA-N 404.532 3.958 0 50 HHAA COc1ccc(OC)c(NCc2cc(I)c(O)c(OC)c2)c1 1229450 DFVZMEZNXAEDQP-UHFFFAOYSA-N 415.227 3.635 0 50 HHAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 2770447 JYROQUALFRCDIY-UHFFFAOYSA-N 406.507 3.500 0 50 HHAA O=C(CCS(=O)(=O)c1cc(Cl)ccc1Cl)OCC(=O)c1ccccc1 2952616 YRRTWBJWPPBGOT-UHFFFAOYSA-N 401.267 3.583 0 50 HHAA CCc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@H]2C1=O 3635192 ACCPTPOVBWUFJU-XDJZYPBNSA-N 423.468 3.884 0 50 HHAA CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Br)cc1 4032047 WLHSHOJSALOHQR-OAHLLOKOSA-N 409.305 3.662 0 50 HHAA O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 6399574 FPEZRWWKMCQUIS-UHFFFAOYSA-N 411.933 3.541 0 50 HHAA COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 6698020 HMLAHQFBYBDNSU-UHFFFAOYSA-N 405.454 3.503 0 50 HHAA CC[C@H]1CCCCN1Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 12037961 DJCLUIPQOMNOFA-INIZCTEOSA-N 410.543 3.679 0 50 HHAA O=C1CCN(Cc2ccc3c(c2)OCCO3)CCN1Cc1cccc(C(F)(F)F)c1 14964536 SYCWKMFRDWCJJM-UHFFFAOYSA-N 420.431 3.711 0 50 HHAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2nnc(CCCc3ccccc3)s2)CC1 16661458 UHEOTFCHFCHNLQ-UHFFFAOYSA-N 414.575 3.937 0 50 HHAA COc1cc(OC)cc(C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 19595046 JYZGTYPWUNFLRA-UHFFFAOYSA-N 408.420 3.681 0 50 HHAA c1ccc(CCCN2CCCN(Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2)cc1 22892535 IKZCRIPTDBJGOX-UHFFFAOYSA-N 418.541 3.946 0 50 HHAA O=C(CCN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)Nc1nccs1 65397271 BKRUCDVKAMVWPJ-UHFFFAOYSA-N 401.467 3.540 0 50 HHAA COc1cc(OC)cc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCCCCC3)c2)c1 71749808 SJELCNBJPSVNLY-UHFFFAOYSA-N 419.499 3.634 0 50 HHAA C[C@@H]1c2ccsc2CCN1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 230090260 OMRPTXZNALNJBG-PXAZEXFGSA-N 423.460 3.974 0 50 HHAA COC(=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@@]12C 253498912 DLYVTEULDNMQAR-GQHANAFNSA-N 422.606 3.537 0 50 HHAA in-vitro COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 253535970 ZSTZCAURVDRPTM-CQSZACIVSA-N 405.454 3.796 0 50 HHAA C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)CC[C@@H]1O 428686352 ZVJXGQJTSPCUIG-NJAFVXNYSA-N 420.553 3.842 0 50 HHAA CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3cc(C)no3)cc2c1C 473908059 DNDAYJYJWHBFAJ-MRXNPFEDSA-N 418.471 3.740 0 50 HHAA Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccn(CC(=O)O)n3)o2)cc1 485907393 PHXBMGQHOPBBIY-UHFFFAOYSA-N 402.410 3.850 0 50 HHAA Cc1cc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)c2ccc(F)cc2n1 826607809 YUVGJFXBHGNGRJ-UHFFFAOYSA-N 401.445 3.588 0 50 HHAA O=C(CN1CCOc2ccccc2C1)N(C/C=C/c1ccccc1)C[C@H]1CCCO1 952989734 RZIKUAUBHNHOJQ-PQCQUMGKSA-N 406.526 3.602 0 50 HHAA O=C(CCCc1nc(-c2ccco2)no1)N1CCC([C@H](O)c2cccs2)CC1 1506411648 SQQNVNPSQKQZOH-IBGZPJMESA-N 401.488 3.686 0 50 HHAA CCc1nc(CN2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)n[nH]1 1857703471 RBRLSEFGXJRACL-OAQYLSRUSA-N 411.594 3.829 0 50 HHAA C[C@@H]1CCN(c2cc(C(=O)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccn2)C1 1875343667 QHYJSTJESXIZTF-QGZVFWFLSA-N 421.522 3.714 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc4nc(C)[nH]c4c3)CC1)OCC2 2356159611 JFQFQTBRJDLHRB-UHFFFAOYSA-N 421.497 3.593 0 50 HHAA CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 826758 IASXGHCIDGLXDU-UHFFFAOYSA-N 420.918 3.970 0 50 HHAA COc1ccc(OC)c(NC(=O)c2cc3cc(Br)ccc3oc2=O)c1 841059 SSVZHYLQCLCPCM-UHFFFAOYSA-N 404.216 3.825 0 50 HHAA O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CC[C@H](c2ccccc2)C1 1156390 QATWCMFUDHETCL-XUZZJYLKSA-N 424.500 3.910 0 50 HHAA COC(=O)c1c(NC(=S)NCc2cc(C)n(C)n2)sc2c1CCCCCC2 2853829 GHLLYUFIASJPHH-UHFFFAOYSA-N 406.577 3.722 0 50 HHAA CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O 3961071 GJOCABIDMCKCEG-INIZCTEOSA-N 412.305 3.504 0 50 HHAA in-vivo COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4145247 WDBMZJOPGFWNLS-GOSISDBHSA-N 418.534 3.805 0 50 HHAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2C)cc1C 6139046 IZUXNXDVOFOKTF-UHFFFAOYSA-N 409.511 3.738 0 50 HHAA COC[C@H]1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C3CCCC3)CC2)C1 12005560 JZPPHABFXOOMMU-SFHVURJKSA-N 416.562 3.590 0 50 HHAA COCCCn1c(CN2CC[C@@H]3CCCC[C@H]3C2)cnc1S(=O)(=O)C1CCCC1 12306279 FHKWKRDHNOMAGZ-OALUTQOASA-N 423.623 3.648 0 50 HHAA COc1ccccc1-c1cn2c(C(=O)NCCc3cn4ccsc4n3)csc2n1 12306431 QIMSYXOVDGZAEI-UHFFFAOYSA-N 423.523 3.753 0 50 HHAA Cc1cc(C)c(C(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)o1 12314478 KITZLUXXKRQRIF-HXUWFJFHSA-N 415.553 3.952 0 50 HHAA CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(C(C)C)cc1 12382953 ZWSFALBSMHOXLF-YOEKFXIASA-N 418.530 3.753 0 50 HHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccc(OC)c(O)c2)CC1 12466715 XWCUHMRLOGGXER-UHFFFAOYSA-N 413.514 3.797 0 50 HHAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1=O 20562914 PABZMJRCHZPNLL-IBGZPJMESA-N 421.541 3.733 0 50 HHAA COc1c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc(Cl)c1Cl 22063166 VWBHKDTUFTUOTG-UHFFFAOYSA-N 415.342 3.509 0 50 HHAA Cc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1C 65363438 XDAJFNXTORAMSH-GOSISDBHSA-N 402.502 3.662 0 50 HHAA O=C1CC2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)CN1Cc1ccccc1 95519785 YKTKLWNMIGWSCB-UHFFFAOYSA-N 400.526 3.887 0 50 HHAA Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]1c1ccccn1 238901739 MJQGWYFYAQTZTH-HBMCJLEFSA-N 403.413 3.580 0 50 HHAA CCOC(=O)c1ccc2c(c1)nc(COc1cccnc1Br)n2CC 253431783 XLTXLVUGPFDCJG-UHFFFAOYSA-N 404.264 3.969 0 50 HHAA CCOc1ccc(C2(CNC(=O)[C@@H]3CCCN3c3ccccc3)CCOCC2)cc1 469002666 NZZUQWAMNJPUIG-QHCPKHFHSA-N 408.542 3.919 0 50 HHAA Cn1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c2ccccc2c1=O 471448288 CRVUXNUYDIQAMU-KBXCAEBGSA-N 415.262 3.726 0 50 HHAA CCn1nc(C)c([C@H](C)NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1C 670469826 SMLJINSKFGORHI-HNNXBMFYSA-N 402.520 3.831 0 50 HHAA CC(C)(C)c1ccc2c(c1)CN(C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)CC2 781345972 FHESOSKOMYLADT-QHCPKHFHSA-N 401.572 3.653 0 50 HHAA CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cs1 1292393940 DFOGGYJAVVRYTC-DGADGQDISA-N 405.564 3.765 0 50 HHAA OCC[C@H]1CN2C[C@@H](n3ccnc3-c3sc4ccccc4c3Cl)C[C@H]2CO1 1857723062 VRFOOTICTLQLDS-KKUMJFAQSA-N 403.935 3.815 0 50 HHAA CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3sccc3c2)cc1 1875252821 OBAUDDAZSDWUPA-HXUWFJFHSA-N 421.522 3.781 0 50 HHAA CN(C)CCCn1nc([C@H]2CC=CCC2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2C 2325872566 DNMKQEVOTRZWTC-KRWDZBQOSA-N 407.562 3.975 0 50 HHAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1OC 799795 GATNAZAVTARQFL-GOSISDBHSA-N 401.850 3.624 0 50 HHAA CCOc1cc(C=O)cc(I)c1OC(=O)c1cccs1 1053158 PDBHZZBZRLIRFM-UHFFFAOYSA-N 402.209 3.783 0 50 HHAA COc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1Cl 1066234 OBBRSENAOIJKOZ-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA O=S(=O)(Nc1ncn(Cc2c(F)cccc2Cl)n1)c1ccc(Cl)cc1 2803832 AVMOQEZIOSTDHY-UHFFFAOYSA-N 401.250 3.573 0 50 HHAA Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(CCCO)C3=O)cc1C 4809695 QBVPVHRROMHRFS-OAQYLSRUSA-N 411.889 3.980 0 50 HHAA O=C(CCn1cnc2ccccc21)N[C@@H]1CCCc2c1cnn2-c1ccccc1F 11663963 RTWZWTZCUBFDTG-GOSISDBHSA-N 403.461 3.945 0 50 HHAA Cc1c(C(=O)N2CCC[C@@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 12048243 KHMICIIVWWSLKI-GOSISDBHSA-N 424.570 3.889 0 50 HHAA O=C(CCc1ccccc1)NC[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 12315936 OAVFQBUNNXJICK-QHCPKHFHSA-N 402.542 3.833 0 50 HHAA CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccccc2Br)cc1OC 12412057 SOPTYSZFMMDVKH-OAHLLOKOSA-N 422.275 3.802 0 50 HHAA CSc1nc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)cs1 12590409 ZZWOTDKLUQMLIS-CQSZACIVSA-N 421.563 3.953 0 50 HHAA O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCCN(Cc2ccccc2F)C1 12747276 IGQDNUOGOTZWET-LJQANCHMSA-N 408.477 3.589 0 50 HHAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC(C(N)=O)CC1 14961067 ALZOPBHNKVZVCV-UHFFFAOYSA-N 410.468 3.823 0 50 HHAA Clc1cccc(N2CCN([C@@H]3CCCN(C4CSCCSC4)C3)CC2)c1 19744871 QUWFDOYOAFRWSE-LJQANCHMSA-N 412.068 3.775 0 50 HHAA CCCCn1c(CN2CCC[C@@H](C(C)=O)C2)cnc1S(=O)(=O)CCCC(C)C 55344178 QWIKNQAAPMMPDM-LJQANCHMSA-N 411.612 3.694 0 50 HHAA CCc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cc1 65362400 JFRVAGPYLVYAHY-UHFFFAOYSA-N 419.533 3.504 0 50 HHAA CCOC(=O)c1coc(N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)n1 67975404 SJBLPTWVJWTKIT-UHFFFAOYSA-N 412.408 3.692 0 50 HHAA COc1cc(CN(C)Cc2ccoc2)ccc1OC[C@H](O)CN1CCCCCC1 95496715 WWHKPXJHXLDDHX-OAQYLSRUSA-N 402.535 3.536 0 50 HHAA CCn1c(Cn2cccn2)nnc1C1CCN(Cc2cc(F)cc(Cl)c2)CC1 96150294 LNLFKWSSJHANBT-UHFFFAOYSA-N 402.905 3.715 0 50 HHAA CCO[C@H]1C[C@H](O)C12CCN(c1ccc(-c3ccc(Br)s3)nn1)CC2 225541167 ZKXVZZROHJLFDZ-GJZGRUSLSA-N 424.364 3.724 0 50 HHAA Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C(N)=O)cc1C 239091003 HOXIIWMCUSQMAB-CWLKWCNXSA-N 424.522 3.901 0 50 HHAA Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]4[C@@H]3C2=O)c1 247871085 LKISCTNMRXYASH-ANULTFPQSA-N 422.912 3.792 0 50 HHAA CC[C@H](C)[C@H](C(=O)N(C)C[C@H]1CCCN2CCCC[C@@H]12)N1Cc2ccccc2C1=O 299754340 BGJGYRYEEYYBGW-VOFXCDAESA-N 411.590 3.780 0 50 HHAA biogenic COc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCc1ccc(OC)c(OC)c1)CC3 409413145 DPPJJOGQZMVILI-UHFFFAOYSA-N 409.486 3.504 0 50 HHAA biogenic C[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC2(CCOCC2)O1 468493672 YBDUODCJVHWMOM-HNNXBMFYSA-N 404.894 3.724 0 50 HHAA CN(C)C(=O)C[C@@H]1CN(C(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)c2ccc(Cl)cc21 476101571 AUAPCBXTJMKROB-PLLZUVJFSA-N 410.945 3.643 0 50 HHAA O=C(NCCc1nnc2n1CCCC2)c1cc(-c2cccs2)nc2ccccc12 753740715 HESSBKIYQQDDEE-UHFFFAOYSA-N 403.511 3.864 0 50 HHAA Cc1cccc([C@@H]2CCCN(C(=O)c3ccc4c(c3)nc(N3CCOCC3)n4C)C2)c1 1506421713 KXZIIHIQGPLSJD-OAQYLSRUSA-N 418.541 3.738 0 50 HHAA CCn1cnc(CNC(=O)C[C@@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)c1 1857705963 CTUUCHLXWRQBBA-AWEZNQCLSA-N 401.898 3.621 0 50 HHAA COc1ccc(NC(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1Cl 1875249255 OQLMBBRVTXVZDM-IEBWSBKVSA-N 401.894 3.638 0 50 HHAA O=C(Nc1cccc(-c2nc(C3CC3)no2)c1)N[C@H](c1ccccc1)c1nc[nH]n1 2325738269 ZETPVGVPLNAPOW-QGZVFWFLSA-N 401.430 3.643 0 50 HHAA O=c1cc(N2CCC[C@@H]2c2cc(F)ccc2F)nc(O)n1Cc1ccc(F)cc1 2325818623 NKYHEMWFTJAOEF-GOSISDBHSA-N 401.388 3.756 0 50 HHAA O=C(NC(CF)CF)c1ccccc1Cn1cc(-c2ccc3cnccc3c2)nn1 2325862492 WCULWDDDQRLNCZ-UHFFFAOYSA-N 407.424 3.579 0 50 HHAA O=C1c2ccccc2C(=O)N1C[C@H]1c2ccccc2CCN1C(=O)C1CCCCC1 758718 JNQOJGREFSDASH-QFIPXVFZSA-N 402.494 3.989 0 50 HHAA CCC1=NN(C(=O)c2cccc(OC)c2)[C@](O)(c2ccc(Br)cc2)C1 840545 AWTBOGJBCQYRDH-LJQANCHMSA-N 403.276 3.915 0 50 HHAA Cc1c(NC(=O)Nc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 1028240 AFNFUDZGKRZEER-UHFFFAOYSA-N 401.264 3.891 0 50 HHAA CC(C)(C)NS(=O)(=O)c1ccc2nc(NC(=O)Cc3cccs3)sc2c1 1891206 UQYWPTBQKXBDCC-UHFFFAOYSA-N 409.558 3.616 0 50 HHAA Cc1ccc(CN(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 2848274 IPBNOCGUEUNQCU-UHFFFAOYSA-N 414.571 3.734 0 50 HHAA CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C2 4912194 JHENXINNVBHACJ-CYBMUJFWSA-N 401.459 3.828 0 50 HHAA Cc1cn2c(C(=O)N(C)C[C@@H]3CCCN(CCc4ccccc4F)C3)csc2n1 12302461 MCHJQKPCCKVFAU-KRWDZBQOSA-N 414.550 3.870 0 50 HHAA COc1ccc(OCc2nc(C(=O)NCc3c[nH]nc3-c3ccccc3)co2)cc1 12314424 QZIOUTYGYFDDCT-UHFFFAOYSA-N 404.426 3.582 0 50 HHAA CO[C@@H](C(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1)c1ccccc1 12468112 IFMFUIIPZTUARY-HSZRJFAPSA-N 412.505 3.848 0 50 HHAA Cc1nn(C)cc1[C@@H](C)NC(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1 14884300 AAIMURBMLFXUTI-CRICUBBOSA-N 418.541 3.731 0 50 HHAA Cc1cccn2c(CN3CCSCC3)c(C(=O)N(C)CCc3ccccc3)nc12 15080177 WYQDEZOINAGBAL-UHFFFAOYSA-N 408.571 3.506 0 50 HHAA O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1C(F)(F)F 20508744 GTEFZTSASKKOIR-RMKNXTFCSA-N 403.448 3.975 0 50 HHAA Cc1ccc2nc(OCc3ccccc3C)c(CNCCN3CCOCC3)cc2c1 23581169 ZOUUPNCQSANVQW-UHFFFAOYSA-N 405.542 3.852 0 50 HHAA COc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1C 55269665 XHJZYLIVCQOCBV-JOCHJYFZSA-N 411.521 3.570 0 50 HHAA Cc1nc(N2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc(C(F)(F)F)n1 169772302 GPGDFOUNTBPHBA-UHFFFAOYSA-N 402.779 3.559 0 50 HHAA COC(=O)[C@H](NC(=O)Cc1csc2ccc(Cl)cc12)c1ccc(OC)c(O)c1 170598344 HXRHNXPLJVVHEI-LJQANCHMSA-N 419.886 3.842 0 50 HHAA Cc1cc(C)n2nc(C)c(C(=O)N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)c2n1 170623575 YAAPJSIDBNVXGB-FQEVSTJZSA-N 412.921 3.894 0 50 HHAA COc1ccc(CC[C@@H](C)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O 225424909 KOLIAGFBCDOCRP-FZKQIMNGSA-N 406.885 3.910 0 50 HHAA CC(C)Oc1ccccc1N1CCN([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 242263285 XXQSKZKSZFYNOW-PZJWPPBQSA-N 423.557 3.624 0 50 HHAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc2c(cc1Br)OCCO2 247859738 VVIVFNQBYGCAAP-WQVCFCJDSA-N 410.308 3.526 0 50 HHAA Cn1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cn1 253410093 MVLZRHJIQUMZRO-CQSZACIVSA-N 422.824 3.994 0 50 HHAA biogenic COCCOc1ccc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 328593621 OUWDUMIGPREDGN-UHFFFAOYSA-N 418.559 3.807 0 50 HHAA Cc1cnccc1N1CCCN(Cc2ccc(OCCCn3ccnc3)cc2)CC1 952987583 LVDLTYFISGLPFT-UHFFFAOYSA-N 405.546 3.768 0 50 HHAA CN(Cc1cccc2cccnc12)C(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 1506425749 MZAKOYFOKRJMPW-UHFFFAOYSA-N 417.509 3.898 0 50 HHAA Cc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1NC(=O)C1CCCC1 1704279999 FJAQYEMYFNPVBF-IRLDBZIGSA-N 407.514 3.506 0 50 HHAA CN(CC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12)Cc1ccccc1 1704344990 YZKFSTKRAKKPOZ-UHFFFAOYSA-N 403.526 3.690 0 50 HHAA O=C(c1cscn1)N1C[C@H]2CN(Cc3nccs3)C[C@]2(CCc2ccccc2)C1 1772811746 XZTAEOPABFKRDL-XMSQKQJNSA-N 424.595 3.807 0 50 HHAA O=C(CCC1CCCC1)NCC[C@@H]1COCCN1Cc1nc2c(s1)CCCC2 1857678679 KGSNDOLEHWHERB-GOSISDBHSA-N 405.608 3.699 0 50 HHAA Cc1ccc2nc(O)c(-c3nccn3C[C@@H](c3ccccn3)N3CCOCC3)cc2c1 1857683508 HOZMPJFWSJUWNS-QFIPXVFZSA-N 415.497 3.581 0 50 HHAA Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C(C)(C)c2ccc(Cl)cc2)nn1 1875310440 PLHHYBRKLZOYSA-QZTJIDSGSA-N 414.937 3.573 0 50 HHAA Cc1c(Cl)cccc1C(=O)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356168138 RDMZOGJXUAEWTN-DRSNIGMVSA-N 404.938 3.549 0 50 HHAA COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)c1 781924 FFUARGDGSULKFV-UHFFFAOYSA-N 411.483 3.825 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 839413 AQZWVFHNGVKRTE-UHFFFAOYSA-N 406.467 3.989 0 50 HHAA COC(=O)c1c(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)sc(C)c1C 915013 DQGPBJYTMFWQRT-OAHLLOKOSA-N 401.488 3.530 0 50 HHAA CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 1135665 JAKNCMIJNJQYJS-HXUWFJFHSA-N 414.458 3.953 0 50 HHAA O=C(CF)N[C@@H](NC(=S)Nc1cccc2ccccc12)C(Cl)(Cl)Cl 2905389 TVRRYFGWENQVNP-ZDUSSCGKSA-N 408.713 3.908 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2ccc(C)cc2)c1 4472967 BKLVPNCCKUESDA-UHFFFAOYSA-N 422.572 3.765 0 50 HHAA COc1ccc(C2=NO[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cc1OC 5031199 KAZMECMTNRVHPY-KRWDZBQOSA-N 410.348 3.734 0 50 HHAA Cc1cc(C)n(CCN2C(=O)CC[C@H]2CCNCc2cccc(C(F)(F)F)c2)n1 11871305 FSFPDBUAMVIYPK-IBGZPJMESA-N 408.468 3.690 0 50 HHAA COC(=O)c1cc(CNC(=O)CC(C)(C)C)cc(NC(=O)Cc2ccsc2)c1 12244209 JGZYAXCMOLWYNQ-UHFFFAOYSA-N 402.516 3.768 0 50 HHAA Cc1c[nH]c(CN(C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 12299320 RLSCTRVXUVZJRY-UHFFFAOYSA-N 415.497 3.991 0 50 HHAA O=C(Nc1ccnn1Cc1cccs1)c1cc(-c2ccc3c(c2)OCCO3)on1 12322429 OWRNFBOHYJWQIJ-UHFFFAOYSA-N 408.439 3.671 0 50 HHAA Cc1nc(C)n(CC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccc2F)n1 15063349 LRXCTPJRYMFCOI-HSZRJFAPSA-N 403.461 3.690 0 50 HHAA CSc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)N1CCCC1 16649223 VWOXUQDXXWAJSC-OAHLLOKOSA-N 404.557 3.684 0 50 HHAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C)ccc3C)n2)cc1NC(C)=O 16650534 KSOVOINDBZMRFX-UHFFFAOYSA-N 418.497 3.687 0 50 HHAA CC1=NN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)[C@](O)(C(F)(F)F)C1 17083261 MJNZIEAXHFFXMF-GFCCVEGCSA-N 405.587 3.885 0 50 HHAA CN1CCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)C[C@H]1c1ccccc1 20599001 DNVCNQJQCLMTKO-DEOSSOPVSA-N 411.509 3.609 0 50 HHAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)n1 21795165 DHEFZIAEBVOODF-UHFFFAOYSA-N 408.550 3.746 0 50 HHAA Cc1csc(NC(=O)CCC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)n1 40282804 KVQBMGJZYVJQTC-UHFFFAOYSA-N 416.478 3.857 0 50 HHAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccccc3Cl)C2)CC1 55134186 RTFHRWIVSMUJEU-SFHVURJKSA-N 413.949 3.775 0 50 HHAA CN(Cc1nccs1)Cc1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 55183427 UQAVEWSZATZHEC-FQEVSTJZSA-N 403.592 3.779 0 50 HHAA COc1cccc(CN(CC(C)C)C(=O)c2ccc(CSc3ncn[nH]3)o2)c1 55384927 WYFSZEFXOUSCHW-UHFFFAOYSA-N 400.504 3.997 0 50 HHAA Cc1noc([C@H]2CCCN2C(=O)c2cc(-c3cncnc3)nc3c(C)c(C)ccc23)n1 63855346 DNZWUIFKZBFHCE-HXUWFJFHSA-N 414.469 3.977 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 100722301 JYJQMKATQMDTHU-BHIFYINESA-N 400.434 3.746 0 50 HHAA CCCc1nc(C)c(C(=O)N2C[C@@H](OC)C[C@H]2c2nc(-c3cccnc3)c[nH]2)s1 170591181 BLNBVMSJBHQAHC-RDJZCZTQSA-N 411.531 3.791 0 50 HHAA CCOc1ccc([C@H](O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1 263615951 GFCDGNUUBZSZHD-HSZRJFAPSA-N 403.482 3.912 0 50 HHAA O=c1c2cc(-c3cccc(Br)c3)nn2ccn1C[C@@H](O)c1ccccc1 263617531 OGPVLGVGFZMRDV-LJQANCHMSA-N 410.271 3.659 0 50 HHAA COc1ccc(CN(C[C@H]2CCCO2)C(=O)CCn2c(C)nc3ccccc32)cc1 824668759 QUEQKRWTTWZCKG-OAQYLSRUSA-N 407.514 3.951 0 50 HHAA CO[C@@H](C(=O)Nc1ccc2c(c1)C(=O)NCCC2)c1ccc(Br)s1 1875316896 HLRCKECZDYTWIE-OAHLLOKOSA-N 409.305 3.513 0 50 HHAA CN(C)C(=O)c1ccc(NC(=O)c2cc(-n3cccc3)cc(C(F)(F)F)c2)cn1 1875320930 NYLCEZFNWDKNFC-UHFFFAOYSA-N 402.376 3.845 0 50 HHAA CCn1c(=O)c(C)nc2cc(C(=O)Nc3cc4sc(C)nc4cc3OC)ccc21 2325704062 MVQDGWUDAIEVDK-UHFFFAOYSA-N 408.483 3.904 0 50 HHAA O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 622042 SWZCTMTWRHEBIN-JOCHJYFZSA-N 403.434 3.927 0 50 HHAA biogenic O=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 807653 WTENLXMPBXJPSA-UHFFFAOYSA-N 405.523 3.892 0 50 HHAA Cc1ccc(CN(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 1163974 HDHKRUWAFIFTOQ-UHFFFAOYSA-N 400.544 3.553 0 50 HHAA COc1ccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 2855725 UUWLITXJBRGBKE-UHFFFAOYSA-N 424.522 3.759 0 50 HHAA Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccnc2)s1 2856285 LYBMBOYJTDIWSC-OAHLLOKOSA-N 410.842 3.751 0 50 HHAA Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nn12 2861535 RQCVRVHFTAMSNE-UHFFFAOYSA-N 404.249 3.769 0 50 HHAA O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 4976441 WUIKPDHWZZLZGL-UHFFFAOYSA-N 423.513 3.833 0 50 HHAA COc1ccc(CN(C)CCc2ccccc2)cc1OC[C@H](O)CN1CCCCC1 11933426 IEDREFAFVXETGR-HSZRJFAPSA-N 412.574 3.595 0 50 HHAA Cc1cnc(-n2ncc(C(=O)NCc3ccncc3)c2C2CC2)nc1-c1cccs1 12132277 WAJKKJGXBAZZOR-UHFFFAOYSA-N 416.510 3.902 0 50 HHAA COc1ccc(Cc2nc3ccc(C(=O)N4C[C@H](C)O[C@H](C)C4)cc3o2)cc1OC 12570887 PYSOJCRRGQNERC-GASCZTMLSA-N 410.470 3.685 0 50 HHAA COc1ccc(NC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)c(OC)c1 13324345 CTOBUFYNFNEWFB-UHFFFAOYSA-N 419.909 3.716 0 50 HHAA O=C1C[C@H](c2cccs2)Cc2nc(N3CCN(Cc4ccccc4)CC3)ncc21 19899900 SHUNLXGAGCXBFU-GOSISDBHSA-N 404.539 3.773 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4noc(C5(c6ccccc6)CC5)n4)c3CO2)cc1 169780521 HNQGWRCOEVKZGF-LJQANCHMSA-N 415.453 3.688 0 50 HHAA Cc1noc([C@@H](NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)C(C)C)n1 170625499 RMNIEVLHSOSACF-PMACEKPBSA-N 405.454 3.959 0 50 HHAA CC[C@@H]1CN(CCC(=O)N2CCC[C@H]2c2nccs2)Cc2cc(OC)ccc2O1 244691799 JJNMIPRSAJXCLP-MJGOQNOKSA-N 415.559 3.879 0 50 HHAA O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)C1(N2CCOCC2)CCCCC1 670467774 KIOHSYQVWKEFPU-QHCPKHFHSA-N 413.606 3.755 0 50 HHAA O=S(=O)(Cc1cc(F)ccc1Cl)N[C@@H]1CCCN(Cc2ccccc2F)C1 826567266 CFLPFSAYNYVOCF-QGZVFWFLSA-N 414.905 3.702 0 50 HHAA COCCN1CC[C@H](CN(C)Cc2ccccc2OCCCCN2CCCCC2)C1 1506400947 HLLABZCJHLNGOC-HSZRJFAPSA-N 417.638 3.732 0 50 HHAA C[C@H]1Cn2ncc(C(=O)O)c2CN1C(=O)OCC1c2ccccc2-c2ccccc21 1772770356 LPZBLYRPYJVVQY-AWEZNQCLSA-N 403.438 3.735 0 50 HHAA Cn1cc(NC(=O)Nc2ccc(-n3cncn3)cc2)c(Oc2ccc(F)cc2F)n1 1875272767 NJXZDHNZLRFDTE-UHFFFAOYSA-N 411.372 3.715 0 50 HHAA CSCC[C@@H]1NC(=S)N([C@@H](C)c2ccc(OCc3cccnc3)cc2)C1=O 1875315111 IWXFIXDLGQXQPZ-KSSFIOAISA-N 401.557 3.560 0 50 HHAA COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N[C@H](C)c1ccc2nc(C3CC3)[nH]c2c1 2325861011 CAZZTHFEDDEXCB-SJKOYZFVSA-N 404.470 3.752 0 50 HHAA COc1ccc(CC(=O)NCCc2ccc3c(c2)OCO3)cc1OCc1ccccc1 638959 CYYGNLLNQYXRHS-UHFFFAOYSA-N 419.477 3.904 0 50 HHAA COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1OC 780140 DGTKHPCPOKSBFR-RUZDIDTESA-N 417.461 3.711 0 50 HHAA O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1cccc(F)c1 1146387 PFWCUQSRQPQCPV-UHFFFAOYSA-N 402.422 3.799 0 50 HHAA CN(c1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 2856934 NZVMOEBMECOSEB-UHFFFAOYSA-N 410.495 3.914 0 50 HHAA COc1ccc(OC)c2c(C)cc(N3CCN(C(=O)c4ccc(C)cc4)CC3)nc12 4740920 VHLJWYRNMNDTPV-UHFFFAOYSA-N 405.498 3.831 0 50 HHAA O=C(c1ccc(Cl)cc1)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101268473 MXSYTYSCPQSEAH-SLUIBLPYSA-N 424.859 3.844 0 50 HHAA CC(=O)N1CC[C@H](NCc2cccc(Cn3ccnc3C)c2)c2ccc(F)cc2C1 225614882 VUYBGEVWIIOPSX-DEOSSOPVSA-N 406.505 3.962 0 50 HHAA O=C1[C@H]2[C@@H](c3ccc(F)cc3)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 101147916 JEECXSKHSNMNKW-BHDDXSALSA-N 402.425 3.872 0 50 HHAA CSc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1 65363823 JTXACMOWCWPSBR-KRWDZBQOSA-N 420.542 3.767 0 50 HHAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1OC 23373545 XQXQNWZVUHJGFH-IBGZPJMESA-N 408.546 3.719 0 50 HHAA COc1cccc(N2C(=O)C[C@H](N3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)c1 229482960 BZBPIJBDGJCONN-BEFAXECRSA-N 421.522 3.816 0 50 HHAA O=C(c1ccccc1-c1ncc[nH]1)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 12430151 GSBXFWAGZUXBFV-HSZRJFAPSA-N 411.452 3.812 0 50 HHAA COc1cc(OC)cc(C(=O)Nc2ncn(Cc3ccc(Cl)c(Cl)c3)n2)c1 2799966 HORHLQGLQJCYIX-UHFFFAOYSA-N 407.257 3.903 0 50 HHAA CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC[C@@H]4CCCO4)cc3n2)s1 2804489 PXMMTNDIOKVIQV-NSHDSACASA-N 424.448 3.948 0 50 HHAA COc1ccc(CC(=O)N2CCC[C@H](CNC(=O)c3ccccc3Cl)C2)cc1 12717810 QRLTYXXCRWYAEM-QGZVFWFLSA-N 400.906 3.560 0 50 HHAA C[C@]12CCC(=O)N1[C@@H](C(=O)NC[C@H]1CC3c4ccccc4C1c1ccccc13)CS2 241161341 JZXRXSIKCOHURY-PJTFIXEMSA-N 418.562 3.854 0 50 HHAA O=C(NCc1ccccc1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 17094011 NWDRGFDDZIYMNZ-HOTGVXAUSA-N 424.522 3.772 0 50 HHAA O=c1c2nnc3c(-c4ccccc4)cnn3c2ccn1CCc1c[nH]c2ccccc12 40388237 WXMYAVCAGGDXQG-UHFFFAOYSA-N 406.449 3.830 0 50 HHAA O=C(CCn1ccc2c(Br)cccc21)NC[C@H]1CC[C@H](C(=O)O)CC1 238924075 QTILUDNOMCAHMY-HDJSIYSDSA-N 407.308 3.801 0 50 HHAA O=C(CCN1CCCCCC1=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 828019308 AXNPGRNMVOOUIA-HXUWFJFHSA-N 405.970 3.776 0 50 HHAA COC(=O)c1c(NC(=O)c2cnc(-c3cnn(C)c3)s2)sc2c1CCCCC2 170625802 KHWLMYRCFCXWJU-UHFFFAOYSA-N 416.528 3.913 0 50 HHAA Cc1ccc(C)c(N2N=C(C(=O)N(C[C@@H](O)c3ccc(F)cc3)C3CC3)CCC2=O)c1 763000570 UXOZBUWRKJNWLH-JOCHJYFZSA-N 423.488 3.650 0 50 HHAA CO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1cc(-c3cc(C)[nH]n3)sc1C)C2 1704342106 GRFRGQOIYYSOCL-RTBURBONSA-N 409.577 3.725 0 50 HHAA Cc1oc(-c2ccccc2Cl)nc1C[S@](=O)CC(=O)NCc1cccs1 5058212 HFGUFENSMLJGDO-AREMUKBSSA-N 408.932 3.930 0 50 HHAA COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OC 5676075 VPVJOBZWGQMTFW-YVLHZVERSA-N 416.430 3.518 0 50 HHAA Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1 11697252 BRSASPIOYSLRMG-UHFFFAOYSA-N 417.517 3.895 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](OCc3cccnc3)C2)c(OC)c1 12302332 MPUQEFAJZPPQHA-HXUWFJFHSA-N 408.502 3.670 0 50 HHAA CCc1n[nH]c(C(=O)N2CC[C@]3(CCCN(Cc4cc(OC)ccc4F)C3)C2)c1C 12446573 JSBIGKXKYQFIOR-QHCPKHFHSA-N 414.525 3.557 0 50 HHAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cccc(O)c3)C2)c(OC)c1 12463866 OOKIZARCQIWRJY-SFHVURJKSA-N 412.530 3.718 0 50 HHAA O=C(CCc1nc2ccccc2s1)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12612740 SRROFXKSNLBOMN-LJQANCHMSA-N 405.567 3.977 0 50 HHAA COc1cccc(C(=O)NC[C@H]2CCCN(Cc3cccc4cccnc34)C2)c1OC 12701736 VUEKUBAVGIHJPC-GOSISDBHSA-N 419.525 3.894 0 50 HHAA CN(Cc1cccc2cnccc12)C(=O)CCc1nnc(COc2ccccc2)o1 12716281 CPKHSZHXZQNYAB-UHFFFAOYSA-N 402.454 3.788 0 50 HHAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC(=O)N(Cc2ccccc2F)CC1 14984837 ONCFSCJOTGJJQX-UHFFFAOYSA-N 407.445 3.664 0 50 HHAA CCCO[C@H]1C[C@@H](C(=O)N2CCSCC2)CC[C@@H]1Nc1ncnc2ccccc12 1857694755 WHTSCVLALZEXQF-VDGAXYAQSA-N 414.575 3.581 0 50 HHAA COc1ccc2c(c1)c(C(=O)N1CCC3(CC1)C[C@H](O)C[C@H](C(C)C)O3)c(C)n2C 1857709457 YNSIOCUHYONRIL-DYESRHJHSA-N 414.546 3.666 0 50 HHAA CC(C)(C)OC(=O)N[C@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2517110 NHLRMCFWGFPSLT-LJQANCHMSA-N 411.454 3.710 0 50 HHAA in-vitro COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)c1cnn(-c2ccccn2)c1C 797579512 LYWRSLRJYXYGTR-UHFFFAOYSA-N 405.241 3.921 0 50 HHAA O=C(Cn1cc(NC(=O)C2CCC(c3ccccc3)CC2)cn1)Nc1cccnc1 1875260777 QPTMDVHMAXLHLO-UHFFFAOYSA-N 403.486 3.829 0 50 HHAA O=C(N=c1cc[nH]c2ccc(Oc3ccccc3)cc12)c1ccc2c(c1)CCNC2=O 1875336687 JVMYMBIZDLQHCO-UHFFFAOYSA-N 409.445 3.987 0 50 HHAA C=CC(=O)Nc1cccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c1 1875371916 PWCLZEPVWPXHMN-MSOLQXFVSA-N 404.388 3.778 0 50 HHAA O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 2325811900 CGUHZKMODWQAHD-FNAHDJPLSA-N 410.464 3.543 0 50 HHAA Nn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccnc1 731705 RVPCVAQHYPJLDG-UHFFFAOYSA-N 418.482 3.577 0 50 HHAA COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)NCc3cccnc3)c2n1 1071083 DASBOOZFFDCURR-UHFFFAOYSA-N 409.396 3.668 0 50 HHAA CCOc1ccc(C2C(C(=O)OC)=CN(c3ccc(F)cc3)C=C2C(=O)OC)cc1 1118019 QVIQHNFSGFYCJJ-UHFFFAOYSA-N 411.429 3.942 0 50 HHAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c1 1156773 BKLDHNKSRXTIDC-UHFFFAOYSA-N 416.905 3.526 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 1169142 JKCBVJQJMQCUFU-UHFFFAOYSA-N 410.923 3.877 0 50 HHAA COC(=O)c1cc(CNC(=O)/C=C/c2cccc(F)c2)cc(NC(=O)C2CCC2)c1 11910562 CGEKDMCWAKDDOO-CMDGGOBGSA-N 410.445 3.681 0 50 HHAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCn1ccc(C)n1 11997856 ZFSORIYNMUYVHG-NRFANRHFSA-N 400.542 3.524 0 50 HHAA CC(C)CSc1nnc(CCNC(=O)Cc2csc(-c3ccccc3)n2)n1C 12456045 VVBIKOIPBXTHKS-UHFFFAOYSA-N 415.588 3.588 0 50 HHAA C[C@H](CC(F)(F)F)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 12718583 UOLHCBJQDWUQDO-MRXNPFEDSA-N 415.500 3.504 0 50 HHAA C[C@@H]1CN(CC(=O)N2CCC([C@@H](C)N3CCCC3)CC2)Cc2cc(Cl)ccc2O1 14967638 PAVVRHKDIDMNTM-QZTJIDSGSA-N 419.997 3.646 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCC[C@H](C(=O)c4ccccc4)C3)n2)cc1 14967837 ITISQBALVZYDNB-IBGZPJMESA-N 405.454 3.618 0 50 HHAA COc1cc(-c2nc(C)cnc2C)cc2c1OCCN(C(=O)c1ccccc1F)C2 14989362 OBEWIAXROBNVTM-UHFFFAOYSA-N 407.445 3.943 0 50 HHAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)c1cccc(F)c1 15007795 DKHIUDYQKUWPBI-UHFFFAOYSA-N 411.477 3.737 0 50 HHAA COc1ccc(Cl)cc1NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19859238 IFIDLEJUJLVASJ-UHFFFAOYSA-N 419.934 3.592 0 50 HHAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1c(F)c(F)c(F)c(F)c1F 20792292 QABNLWXKUCMDBP-UHFFFAOYSA-N 419.346 3.743 0 50 HHAA in-vitro OCC[C@@H]1CN(Cc2ccc(CN3CCCC3)s2)CCN1CC1CCCCC1 23360730 JIWJEYNMJBXNEK-OAQYLSRUSA-N 405.652 3.793 0 50 HHAA O=C(c1c(F)cccc1F)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55035788 GRZCGSZVMIXVJP-GOSISDBHSA-N 403.448 3.531 0 50 HHAA c1ccc(N2CCN(Cc3nnc4sc(-c5cc6ccccc6o5)nn34)CC2)cc1 65363286 BCTJWOFGVOZYLG-UHFFFAOYSA-N 416.510 3.921 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc4cccnc34)C[C@H]2CCO)cc1C 104539062 VVVGLEUFUMRMIO-HSZRJFAPSA-N 405.542 3.621 0 50 HHAA CCc1csc([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CC(C)(C)CC4=O)C2)n1 170626429 BYYULRZTFDAOPH-CYBMUJFWSA-N 413.543 3.569 0 50 HHAA CC[C@@H](C)c1ccc(S(=O)(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)cc1 248198141 RYTNPKVQPGGWBF-APWZRJJASA-N 413.605 3.711 0 50 HHAA COc1cccc(CN2CCOc3ccc([C@H](O)c4ccncc4)cc3C2)c1OC 299766509 DRVBPGFJGKYJAK-HSZRJFAPSA-N 406.482 3.575 0 50 HHAA Cc1c(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)nnn1Cc1ccc(F)cc1 435877489 RKHGBAGINZXVCR-RHSMWYFYSA-N 402.832 3.852 0 50 HHAA O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cccc2ccsc12 466431763 RNTFIYHUUZHEKP-AWEZNQCLSA-N 401.513 3.587 0 50 HHAA O=C(NC[C@@H](O)C1CCCCC1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 476698505 JKZKIOJGSLBPHL-LJQANCHMSA-N 406.885 3.800 0 50 HHAA COc1ccc(-c2ccnc(C3CCN(C(=O)NC[C@H]4CCCS4)CC3)n2)cc1 952893567 NGJRQWYCRZPPRM-LJQANCHMSA-N 412.559 3.937 0 50 HHAA Cc1ncnc(N2CCN(C(=O)c3ccc(COc4ccccc4)cc3)CC2)c1C 952977346 VGYQPIOBNJQOFE-UHFFFAOYSA-N 402.498 3.635 0 50 HHAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccccc3)cc2)CC1 952980529 XEJAKYLLUNQOAU-QHCPKHFHSA-N 421.541 3.793 0 50 HHAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3[nH]c4ccccc4c3Cl)C1)CC2 1704335041 KAQAKABKKJOEJV-QFIPXVFZSA-N 409.921 3.798 0 50 HHAA O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](C(F)(F)F)O1 1857779872 UZKWTMYGUSOZHA-QZTJIDSGSA-N 421.371 3.652 0 50 HHAA COc1ccc([C@@H](NC(=O)CN[C@@H](C)c2cc(F)ccc2-n2cccn2)C2CC2)cc1 1875256620 FLSIEWOKUDAMRV-FYSMJZIKSA-N 422.504 3.938 0 50 HHAA Cc1nc(CNC(=O)c2cc(-c3ccccc3C(F)(F)F)[nH]n2)ccc1[C@@H](C)O 1875258548 SAJQDQGQEIOOFK-GFCCVEGCSA-N 404.392 3.782 0 50 HHAA C[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)[C@@H]1COc2ccccc21 1875357128 ZLRSVWXNZIKHEH-NWVWQQAFSA-N 416.521 3.816 0 50 HHAA Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N1C[C@H](N(C)C)Cc2ccccc21 2325725419 WFCWLPMRKVGDRA-LJQANCHMSA-N 406.505 3.690 0 50 HHAA CC[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1nn[nH]n1 2325730440 CNZBMLVNPBISHG-QGZVFWFLSA-N 410.428 3.826 0 50 HHAA COc1cccc(-c2cccc(C(=O)N3CCC[C@@]4(CCc5c[nH]c(=N)nc54)C3)c2)c1 2356146681 PZBHIEOGDMMMEX-RUZDIDTESA-N 414.509 3.685 0 50 HHAA COCCN1CCC[C@]2(CCCN2C(=O)Nc2ccc(Cl)cc2Cl)C1=O 2356150030 IRTSNQVOJPSTPO-SFHVURJKSA-N 400.306 3.629 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(c4cccc(C(=O)O)n4)C3)[C@@H]3CCCCN23)c1 2356162491 LGGILOSWNDRVBP-FUKQBSRTSA-N 421.541 3.710 0 50 HHAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCC(Cc2ccccc2)CC1 2356165800 OVMFTYCLCQDMSV-UHFFFAOYSA-N 410.583 3.994 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2cc(C)ccc2C)cc1 881196 NUFKFSAAYVBHIB-UHFFFAOYSA-N 423.538 3.519 0 50 HHAA O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccccn1)Nc1ccccc1 1127896 SJNGXESZVVUTNT-HXUWFJFHSA-N 418.428 3.587 0 50 HHAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 2495373 ZKLRGOZIFNRSLH-UHFFFAOYSA-N 406.523 3.777 0 50 HHAA COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2I)c1 4810630 QZFQNBXMSKGTOT-LLVKDONJSA-N 411.239 3.799 0 50 HHAA CCSc1nnc2c(n1)O[C@H](c1cccn1C(C)=O)N(C(C)=O)c1ccccc1-2 5909023 MHGODEJLUUNIJV-LJQANCHMSA-N 409.471 3.556 0 50 HHAA O=c1c(/C=c2\sc3nc4ccccc4n3c2=O)coc2c(Cl)cc(Cl)cc12 8695081 BZKGDOZORHRUGF-WCSRMQSCSA-N 415.257 3.870 0 50 HHAA O=C1CC[C@@H](N2CCN(c3ccc(F)cc3)CC2)CCN1Cc1ccc(F)cc1F 11790595 OIJLGTLONXJEGA-OAQYLSRUSA-N 417.475 3.807 0 50 HHAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCc2cccc(F)c2)CC1 12209459 SLYCJLDDZVBTMT-UHFFFAOYSA-N 404.869 3.799 0 50 HHAA CN(Cc1cc(-c2ccccc2)on1)C(=O)CC[C@@]1(Cc2ccccc2)CCC(=O)N1 12218436 RWSJOCCGUGBLTJ-RUZDIDTESA-N 417.509 3.972 0 50 HHAA CCCCn1c(CN2CCC[C@H](C(=O)c3cccs3)C2)cnc1S(=O)(=O)CC 15075252 ZZJSUZAOYMCJMV-INIZCTEOSA-N 423.604 3.633 0 50 HHAA CSc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C(=O)N1CCCC1 16647530 OAZZNXZEIITIJO-UHFFFAOYSA-N 412.483 3.724 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)c1 20998661 XMJLNBZSCFHGRD-QGZVFWFLSA-N 418.969 3.699 0 50 HHAA CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)CC1 28349642 HBIHILGQENLYSC-GUMHCPJTSA-N 407.599 3.698 0 50 HHAA CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C 55226538 IIWDWNYHEGFJHI-JOCHJYFZSA-N 407.514 3.573 0 50 HHAA aggregator CCCOc1ccc2cc(C(=O)N(CCOC)Cc3cccs3)c(=O)oc2c1 55386657 ZKQFWCWPAVIJSX-UHFFFAOYSA-N 401.484 3.932 0 50 HHAA CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@@H](c3ccc(F)c(Cl)c3)C2)c1 170618959 FVSFIYZSDSQTCG-LJQANCHMSA-N 423.897 3.938 0 50 HHAA O=c1cc(-c2cc3cc(Br)ccc3oc2=O)c2ccc(O)c(O)c2o1 216804391 WLNPRJGNDGQISA-UHFFFAOYSA-N 401.168 3.740 0 50 HHAA CC(C)n1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cn1 468800072 CBGXNFPLMXIIPO-OAHLLOKOSA-N 401.486 3.668 0 50 HHAA NC(=O)c1ccccc1CCC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 470819157 FNLHUQLINBXQDU-UHFFFAOYSA-N 409.873 3.984 0 50 HHAA Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](c4ccc5c(c4)OCO5)[C@H](O)C3)cc2)o1 952966990 YEFBNMMJKNGSAR-VQTJNVASSA-N 405.450 3.974 0 50 HHAA COc1nc2ccccc2nc1CCC(=O)N1CCC[C@@H](c2nc(CC(C)C)no2)C1 1506403616 CQWHGRITTMEDBL-MRXNPFEDSA-N 423.517 3.559 0 50 HHAA C[C@]1(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC12CCNCC2 1857690526 METPNNYJFAMMDI-RUZDIDTESA-N 403.570 3.700 0 50 HHAA CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1ccc2oc(O)nc2c1 2325861233 JZWRITDHRYLVKZ-ZMZPIMSZSA-N 419.275 3.731 0 50 HHAA COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1I 670781 FUDWMCLSYPZPPB-UHFFFAOYSA-N 410.211 3.511 0 50 HHAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 1121714 UZKGUFLECDVITI-UHFFFAOYSA-N 415.342 3.903 0 50 HHAA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2cccc(Br)c2)cc1 1140949 MCOSZNRRWGRAGJ-QGZVFWFLSA-N 403.276 3.610 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(Br)cc1 2820795 ZBIJNEMCOMETFN-KRWDZBQOSA-N 417.328 3.942 0 50 HHAA CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(OC)c(Cl)c2)CC1 4978774 SVHVKYXIUCYMGJ-UHFFFAOYSA-N 401.894 3.660 0 50 HHAA COc1ccc(CC[C@H](C)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O 225424947 KOLIAGFBCDOCRP-UGSOOPFHSA-N 406.885 3.910 0 50 HHAA CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 27997881 MLDJWBREWCGYSI-NRFANRHFSA-N 404.514 3.724 0 50 HHAA COc1ccccc1CNCc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 23620148 LGOUGMRVHMMLQE-DEOSSOPVSA-N 420.553 3.857 0 50 HHAA CCOC(=O)C1=C(C)N(C)[C@@H]2C=CC(OC(=O)c3ccc(Br)cc3)=C[C@@H]12 170591618 KHCBNMCVXOWCRE-IAGOWNOFSA-N 418.287 3.827 0 50 HHAA COc1cc(C)c(-c2nc(CN3CCC[C@H](CN4CCOCC4)C3)c(C)o2)cc1C 67755354 FAXBDCSMOVGXQQ-HXUWFJFHSA-N 413.562 3.820 0 50 HHAA CC[C@H]1CN(C(=O)Nc2nc(-c3cccnc3)cs2)[C@@H](CC)CN1CC(C)(C)O 230151605 DGVXAVIHODYYOB-IRXDYDNUSA-N 417.579 3.683 0 50 HHAA CCN(CC)CCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2769369 UQJNEUVNBNXCML-UHFFFAOYSA-N 401.461 3.796 0 50 HHAA O=C(N[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)C1)c1cc2ccccc2o1 476306711 MLQXNBIPEFHEFD-IKHSKMKMSA-N 416.521 3.548 0 50 HHAA O=C(c1cc2nccc(-c3ccc4ccccc4c3)n2n1)N1CCC2(CC1)OCCO2 13644342 HCRJMXHOUBGWLQ-UHFFFAOYSA-N 414.465 3.529 0 50 HHAA CCCn1c(C)c(CC(=O)N(CC)Cc2nc(C)no2)c2c1CC(C)(C)CC2=O 95499241 MFSZLFRNHAJTJK-UHFFFAOYSA-N 400.523 3.644 0 50 HHAA Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCCCC[C@H]43)C2=O)cc1 248072230 ACJMSTQVVQYGQW-RDPSFJRHSA-N 403.482 3.570 0 50 HHAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)C1)CC2 1704298686 BXVNEITVQQLPEF-DEOSSOPVSA-N 415.497 3.833 0 50 HHAA O=c1[nH]c2c(-c3nc(-c4ccccc4Cl)no3)nnn2c2sc3c(c12)CCCC3 1775970501 DVAOTINFQMOVSR-UHFFFAOYSA-N 424.873 3.882 0 50 HHAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(Cc3c[nH]c4ccccc34)C2)c1 12584255 ABSYTHRBOWGRFO-KRWDZBQOSA-N 407.514 3.827 0 50 HHAA O=C(c1cccs1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2-n2cccn2)C1 14980756 GOJMCYIFMIUCHV-MJGOQNOKSA-N 420.538 3.701 0 50 HHAA Cc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)c(=O)[nH]1 15075600 OJLZIRXSXMKQML-LJQANCHMSA-N 414.505 3.979 0 50 HHAA Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)cc1Br 19863549 HBGSVVAYYCIPFJ-UHFFFAOYSA-N 423.376 3.572 0 50 HHAA c1csc(-c2csc3nc(CN4CCOCC4)nc(NCc4ncc[nH]4)c23)c1 827603701 AYHBYYSVQGEXRK-UHFFFAOYSA-N 412.544 3.587 0 50 HHAA Cc1c(C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)cnn1-c1cccc(Cl)c1 1875252042 UXDPQSCUVALAQJ-UHFFFAOYSA-N 409.799 3.775 0 50 HHAA COc1ccc2c(ccn2CC(=O)Nc2ccc(C)c(N3CC[C@@H](N(C)C)C3)c2)c1 1875260575 YAABKAPQBXHATE-HXUWFJFHSA-N 406.530 3.737 0 50 HHAA CCNS(=O)(=O)c1ccc(F)c(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 2325723207 LGXFTWUWTBYJHI-UHFFFAOYSA-N 415.368 3.860 0 50 HHAA O=C(Cn1cc(C2CC2)nn1)Nc1ccccc1NC(=O)c1ccc2ccccc2n1 2325739329 XFYJCZBDALJRJW-UHFFFAOYSA-N 412.453 3.595 0 50 HHAA Cc1ccc(C(=O)N2CC3(CCC3)C[C@H]2CNC(=O)c2cccn3ccnc23)cc1C 2325827156 XJGKQAPUCYNEBE-FQEVSTJZSA-N 416.525 3.766 0 50 HHAA COc1cc(Br)c([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1OC 1061891 AOZREQHIQLFFSJ-VIFPVBQESA-N 406.232 3.669 0 50 HHAA CCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1141578 JQOLZRZVQBZVHV-UHFFFAOYSA-N 404.271 3.736 0 50 HHAA Cc1ccc(C)c(N2C(=O)[C@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@H]3C2=O)c1 1195596 LIZOMENHPWXLET-AYIBLLACSA-N 409.485 3.847 0 50 HHAA Cc1ccc(S(=O)(=O)NCCSc2nnc(Nc3ccccc3)s2)cc1 2842863 BFYOMAGWOUYFMJ-UHFFFAOYSA-N 406.558 3.661 0 50 HHAA CCc1cccc(C)c1NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1OC 2884281 FYVGMPJPKMYCTO-UHFFFAOYSA-N 404.532 3.524 0 50 HHAA O=C(N[C@H](Cc1ccccc1)C(=O)NCCOc1ccccc1)OCc1ccccc1 4809024 KHZADBZFHAKLIT-HSZRJFAPSA-N 418.493 3.719 0 50 HHAA O=C(CCC1CCN(C2Cc3ccccc3C2)CC1)N1CCN(c2ccccc2)CC1 11934887 GMJUFWBMYKCTKY-UHFFFAOYSA-N 417.597 3.995 0 50 HHAA O=C(NCc1ccccc1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O 12034386 XELXDLBIBMQANR-UHFFFAOYSA-N 407.514 3.520 0 50 HHAA COc1ccc(C(=O)NC2CCCCCCC2)cc1OC1CCN(C(C)=O)CC1 12050247 UVDSRTHKLPRJOT-UHFFFAOYSA-N 402.535 3.928 0 50 HHAA COc1cc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cc(Cl)c1O 12373204 LXXJMZCPDFQMNN-AWEZNQCLSA-N 406.885 3.835 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 12434134 RRVDZXIBVHQVIB-QFIPXVFZSA-N 417.456 3.594 0 50 HHAA CCCCn1c(CN(C)CC[C@H](C)N2CCCC2)cnc1S(=O)(=O)CC1CCC1 12445481 NPYGAIVRFLYIHX-IBGZPJMESA-N 424.655 3.563 0 50 HHAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)o2)CC1)c1ccccc1 15070396 UBSHTAAWRPQPJH-JOCHJYFZSA-N 408.502 3.948 0 50 HHAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3cc(CC(C)C)[nH]n3)C2)cc1OC 19740222 ZDTKZPXDPNNJKK-QFIPXVFZSA-N 414.594 3.764 0 50 HHAA Cc1c(CN2CCC[C@H](N(C)Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C 19792881 ROGAGCPNPOPAMI-QHCPKHFHSA-N 404.558 3.581 0 50 HHAA COc1ccc(/C=C/CN2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 20515862 OTXKROYQFNDYJJ-OIUIXCLQSA-N 410.558 3.594 0 50 HHAA COc1ccc(C(=O)N(C)C[C@H]2CCCCO2)cc1OC1CCN(C(C)C)CC1 20601362 FRQBEIIIKFSJOM-HXUWFJFHSA-N 404.551 3.588 0 50 HHAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccccc3C(C)C)C3=C2C(=O)OC3)cc1 169757995 XNPIDLXUDFYIDD-QFIPXVFZSA-N 419.481 3.634 0 50 HHAA CC(C)Cc1cc(C(=O)Nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2)[nH]n1 170672296 TVCLWSOIQITVED-UHFFFAOYSA-N 421.379 3.763 0 50 HHAA CC1(C)CCc2ccccc2[C@@H](NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 225656170 YYZCQPGAERRVGT-CTNGQTDRSA-N 404.510 3.725 0 50 HHAA C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229513285 UBBLNTPAHYDRAH-QFIXIFRTSA-N 400.906 3.742 0 50 HHAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(O)nc2ccccc12 431462657 CQSLSLQRPNNCAE-UHFFFAOYSA-N 404.344 3.686 0 50 HHAA COc1cccc([C@H](C(=O)O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c1 1506421542 IGOGRVWKWVCMAQ-HXUWFJFHSA-N 416.905 3.503 0 50 HHAA COCCc1noc([C@@H]2CCCCN2Cc2nc(-c3ccccc3Cl)no2)n1 1529169002 PTKHJRGDJJYFBD-HNNXBMFYSA-N 403.870 3.689 0 50 HHAA O=S(=O)(CC1CCCC1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704326296 TZHNLVZSUNALIA-HSZRJFAPSA-N 411.571 3.943 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)C2)[C@@H]2CCCCN12 2356159508 DTOJRHMPAZXHPZ-LRSLUSHPSA-N 424.589 3.640 0 50 HHAA COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 754047 CQCHYHFEFBYBLO-UHFFFAOYSA-N 416.524 3.564 0 50 HHAA CCOc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc(OCC)c1OCC 998356 QCWRWEZLRZWRFH-UHFFFAOYSA-N 406.504 3.912 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1ccccc1OC 1084438 ZDKHPDUKGSUSNF-HXUWFJFHSA-N 408.479 3.656 0 50 HHAA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)cc1Br 1156812 YNDUAZZNYMAYGO-UHFFFAOYSA-N 423.288 3.673 0 50 HHAA O=C(N(c1cccc(C(F)(F)F)c1)[C@@H]1C=CS(=O)(=O)C1)C(Cl)(Cl)Cl 1217699 FEXIJZDWIGCIMR-SNVBAGLBSA-N 422.639 3.719 0 50 HHAA COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 2522387 HRCPPOIBHJTYBK-UHFFFAOYSA-N 411.531 3.696 0 50 HHAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@@H]1c1nccs1 11816146 DTVSPUYRYLKEPO-MRXNPFEDSA-N 405.886 3.943 0 50 HHAA CC(C)Cc1cc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)n[nH]1 11819444 LZGONAFUOVPISA-UHFFFAOYSA-N 416.573 3.876 0 50 HHAA Cc1cccn2cc(CNC(=O)CC[C@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)nc12 11838546 NNSVVLWVFIWASX-HSZRJFAPSA-N 424.932 3.584 0 50 HHAA Cc1ccc(F)cc1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12031151 REXIPMBCDREZBA-UHFFFAOYSA-N 410.489 3.844 0 50 HHAA Cc1ccn(CC(=O)N2CCC([C@@H]3CCN(Cc4ccc(Cl)cc4)C3)CC2)n1 12596139 NYFSLSZYUSUTSE-HXUWFJFHSA-N 400.954 3.606 0 50 HHAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)Cc2ccccc2OC)cc1 12750133 GBJGOWJBUBEQLV-UHFFFAOYSA-N 410.558 3.659 0 50 HHAA Cc1noc([C@H](C)NC(=O)Cc2c3c(n(CC(C)C)c2C)CC(C)(C)CC3=O)n1 95530718 VBCWRLXYVGMMOX-ZDUSSCGKSA-N 400.523 3.719 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2F)cc1 101196278 DCVPUVRHKWZRKR-ABSDTBQOSA-N 416.518 3.634 0 50 HHAA COc1ccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)no2)c(OC)c1 169769415 YKZJNYNECRYFCN-LJQANCHMSA-N 419.441 3.592 0 50 HHAA C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ncc(-c2ccccc2)o1 170631432 UZJVKMJRCAKZFS-QWHCGFSZSA-N 405.501 3.555 0 50 HHAA COc1cc(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc(Cl)c1OC(C)C 225573273 RSXJRPFDPKFXPV-OAHLLOKOSA-N 405.804 3.903 0 50 HHAA O=C1[C@@H]2[C@H](C(=O)N1c1c(Cl)cccc1Cl)N1CCCN1[C@H]2c1ccccc1 239306243 GPOCAKKYADEXAK-XYJFISCASA-N 402.281 3.529 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 248034174 REWMXWOZTYGKBV-HMXCVIKNSA-N 404.576 3.719 0 50 HHAA N[C@@H]1CC[C@H](CCNC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)C1 952894025 PDJYDZDHUDBAMU-OXQOHEQNSA-N 411.525 3.689 0 50 HHAA Cc1cccc(-c2nc(CN3CC[C@@H](O)[C@@](CO)(Cc4ccccc4)C3)c(C)o2)c1 1857722260 DYVQGMWRMPJCGF-NOZRDPDXSA-N 406.526 3.746 0 50 HHAA O=C(/C=C/c1cccs1)Nc1cccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1 2325702128 GDUYLMLTGMZMCZ-YXBWYFRISA-N 418.522 3.804 0 50 HHAA Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(-c2ccncc2)nc1O 2325729311 ZXZPMKOBJHODOT-UHFFFAOYSA-N 420.538 3.959 0 50 HHAA Cn1nc(Cc2nnc(C(C)(C)Oc3ccc(Cl)cc3)o2)c2ccccc2c1=O 2325894039 PVTHZAYSQBCBFO-UHFFFAOYSA-N 410.861 3.875 0 50 HHAA COCCn1cncc1CNC(=O)c1ccc(-c2cccc3nc(C)ccc23)cc1 2356149543 GZWXZHVDUIZFCP-UHFFFAOYSA-N 400.482 3.983 0 50 HHAA Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 671108 RYWGYGJHIRNDFM-UHFFFAOYSA-N 402.516 3.577 0 50 HHAA O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1ccc(C(=O)O)cc1 1796541 UCLZSNNMQPRJBJ-DHDCSXOGSA-N 416.842 3.713 0 50 HHAA CCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OCC 2502890 IGLWYENOVKGELZ-LJQANCHMSA-N 418.515 3.697 0 50 HHAA O=C(CCc1ccccc1)NC(=S)Nc1ccc(CCC(=O)N2CCCC2)cc1 5078135 MVTIQFFRJJAFRJ-UHFFFAOYSA-N 409.555 3.687 0 50 HHAA O=C(CSc1nnc(-c2ccccc2)c(=O)[nH]1)Nc1ccc(Cl)cc1Cl 5626411 LADHZATZQXXRDS-UHFFFAOYSA-N 407.282 3.870 0 50 HHAA CCn1cc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)cn1 11874190 AXQVFRGGNKBKRR-QHCPKHFHSA-N 414.569 3.935 0 50 HHAA Cc1nonc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 11933453 XMCMRDVBMABWLT-KRWDZBQOSA-N 408.433 3.675 0 50 HHAA COc1ccc(OCc2cc(C(=O)N(C)Cc3cn(C)nc3C)no2)c2ccccc12 12076005 NNVNLLAZWUMOKR-UHFFFAOYSA-N 420.469 3.730 0 50 HHAA O=C(NC[C@@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1)c1cnccn1 14964245 CZLDAFRETSQCJM-KRWDZBQOSA-N 415.371 3.776 0 50 HHAA CCOCCCN[C@@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c23)C1 15069325 OVNFLLHYWBWVIS-GOSISDBHSA-N 411.571 3.688 0 50 HHAA CCOC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2C)sc2c1CCCC2 17092390 PRWDZIRGCJYFMQ-UHFFFAOYSA-N 420.560 3.540 0 50 HHAA Cc1ccccc1-c1ccc(CN2CCN(C3CCN(C)CC3)[C@H](CCO)C2)cc1 39485884 LYMRGEPJOZHWFK-RUZDIDTESA-N 407.602 3.625 0 50 HHAA Cc1cccc2c(C(=O)N(C)[C@@H](C)Cc3ccccn3)cc(-c3cnc(N)nc3)nc12 63882285 JJEIYUUIQGLCIH-INIZCTEOSA-N 412.497 3.681 0 50 HHAA O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 72441686 RNQUWIHVLQGBDN-UHFFFAOYSA-N 416.529 3.974 0 50 HHAA O=S(=O)(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc2[nH]nnc2c1 225797014 HYUCSYWWRLTNFJ-UHFFFAOYSA-N 421.198 3.540 0 50 HHAA COc1ccc(OC)c(C2=NN(S(C)(=O)=O)[C@H](c3c(F)cccc3Cl)C2)c1 253431697 HXCASSSAQAJJBL-INIZCTEOSA-N 412.870 3.607 0 50 HHAA CCOC(=O)N1CCC(NC(=O)c2cc(Cl)cc(Br)c2F)CC1 253433458 XGEJZSFCMMXEDD-UHFFFAOYSA-N 407.667 3.592 0 50 HHAA COc1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)C3CCCC3)cc1)C[C@H](C)O2 460497647 CTCLZSMRCJFPRG-HNNXBMFYSA-N 415.511 3.839 0 50 HHAA CC[C@]1(C(=O)NCCc2cccc(C(F)(F)F)c2)C[C@H]2CC[C@@H]1N2Cc1cnc[nH]1 1704309989 VDNIQBLBBHXXKQ-DYXWJJEUSA-N 420.479 3.921 0 50 HHAA COc1ccc2c(c1)[C@@H](C(=O)Nc1c(C)cnn1Cc1ccc(Cl)cc1)CC(=O)N2 1875247874 RUBULGRLKJHUHW-SFHVURJKSA-N 424.888 3.966 0 50 HHAA O=C(Cc1ccn(-c2ccc(F)cc2)n1)N=c1cc(-c2cc3ccccc3o2)[nH][nH]1 1875264648 USSXPKMOLGAYTE-UHFFFAOYSA-N 401.401 3.751 0 50 HHAA COc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 753368 SXLNSCBGVURYDC-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 899712 NQNOXSJCGLZIIH-UHFFFAOYSA-N 414.914 3.640 0 50 HHAA Cc1cc(Nc2nccc(N3CCC[C@@H](O)C3)n2)n(-c2cc(C)c3ccccc3n2)n1 2356149507 FDLDFORAPCSIMU-QGZVFWFLSA-N 415.501 3.532 0 50 HHAA COc1ccc(C2=NO[C@H](CNC(=O)Cc3csc(-c4ccc(C)o4)n3)C2)cc1 225768798 ZNEDTMOIBUFUEN-KRWDZBQOSA-N 411.483 3.572 0 50 HHAA C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccnc(OCC(F)(F)F)c2)CC1 462702678 HVDRPBRCWGYVHP-CYBMUJFWSA-N 414.453 3.995 0 50 HHAA O=C(NC[C@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1)c1cc2ccccc2o1 23153641 NMUUNQQUPXTGFB-GOSISDBHSA-N 408.454 3.610 0 50 HHAA Cc1csc(NC(=O)CCNC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)n1 20745706 AMYGBAUCCGKFKQ-UHFFFAOYSA-N 417.922 3.683 0 50 HHAA CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1c(F)cccc1Cl 2462960 BMWPVVXCNDZFQA-OAHLLOKOSA-N 415.804 3.843 0 50 HHAA biogenic,in-vitro CCCn1c(SCC(=O)Nc2sc(CC)cc2C(=O)OC)nnc1C(C)C 6400225 SJNKVICBAMTESJ-UHFFFAOYSA-N 410.565 3.953 0 50 HHAA Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 328606984 UKEFGPGFGCHQLM-MBSDFSHPSA-N 416.481 3.782 0 50 HHAA Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)CC2)c(C)c1 239173616 OHIHFIOKVVHIOU-OKNOJINPSA-N 418.537 3.854 0 50 HHAA CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(C(=O)CCCCc1ccccc1)CCO2 299790755 CNOQIIBAHZDXPB-RUZDIDTESA-N 410.558 3.590 0 50 HHAA O=C(C[C@H](c1ccccc1)c1ccco1)NCCS(=O)(=O)c1ccc(F)cc1 952981318 VRGHLNRVQWILOU-LJQANCHMSA-N 401.459 3.531 0 50 HHAA O=C(Nc1cccc(N2CCCS2(=O)=O)c1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 170637508 PSZZGTXPCJSOBC-ZWKOTPCHSA-N 405.907 3.558 0 50 HHAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)N3CCCC3)cc2)CC1 1616102131 DLMIJZDOMOQKFT-YADHBBJMSA-N 413.562 3.527 0 50 HHAA COC(=O)Cn1c(=O)c(CNC23CC4CC(CC(C4)C2)C3)cc2ccc(Cl)cc21 12131386 IODCATGKINZIHV-UHFFFAOYSA-N 414.933 3.886 0 50 HHAA Cc1nonc1CC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 12225810 CZJHJQQJDVASGM-CQSZACIVSA-N 424.423 3.597 0 50 HHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)CCc1c(C)n[nH]c1C)O2 12281501 LYASWUYIFBBZIQ-FQEVSTJZSA-N 417.509 3.949 0 50 HHAA Cc1occc1C(=O)N(CCCN(C)C)CC1CCN(C2Cc3ccccc3C2)CC1 12386567 VWDFLBSIRMDOTQ-UHFFFAOYSA-N 423.601 3.861 0 50 HHAA CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1 14889298 HYHKADFVSHZLPK-LJQANCHMSA-N 423.557 3.977 0 50 HHAA Cc1sc(NC(=O)c2ccc3c(c2)OCCO3)c(C(=O)NCc2cccnc2)c1C 16400633 GHLPJADUULBTEF-UHFFFAOYSA-N 423.494 3.713 0 50 HHAA COc1cccc(CN2CCN(Cc3ccc(OC)c(Br)c3)CC2)c1 19781908 LWYXKNHZAMEKFO-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2c[nH]c3ccccc23)CC1 19890014 RGCDENSEERFTSL-UHFFFAOYSA-N 405.523 3.828 0 50 HHAA COc1ccc(Cl)cc1C(=O)N[C@@H]1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169754139 FXSCNHAEHSQLSV-MRXNPFEDSA-N 414.868 3.887 0 50 HHAA COc1cc(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)cc(Cl)c1OCC(C)C 225550731 NNHMYOKICMGMBK-MRXNPFEDSA-N 420.941 3.516 0 50 HHAA COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3Cl)C2)c1 225847990 IUFTYRGGILMKRX-SFHVURJKSA-N 416.861 3.900 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N(CC4CC4)C[C@@H]4CCCO4)C3)nc2c1 12202441 SLPUODFLPUMGEM-RTWAWAEBSA-N 422.573 3.881 0 50 HHAA COc1cccc(C(=O)N(Cc2ccccc2Br)[C@@H](C)CCCO)n1 1875327760 JYVCVCFESAJBHZ-AWEZNQCLSA-N 407.308 3.656 0 50 HHAA CC(=O)c1ccc(F)cc1NC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(F)ccc1C(C)=O 2325732874 VKLZBTKKXSXRPT-IAGOWNOFSA-N 400.381 3.583 0 50 HHAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)NCc2ccco2)o1 1857800077 FKSQEWVVWVBTSH-UHFFFAOYSA-N 414.361 3.622 0 50 HHAA Cc1ccc(C(=O)N=c2[nH]c(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)cc1 1857800258 CQMLDXOGJYQDJR-UHFFFAOYSA-N 406.916 3.920 0 50 HHAA O=c1c2c(nc(NCCO)n1CCc1ccccc1)-c1ccccc1CC21CCCC1 2285883 WXVFLERTFMSVII-UHFFFAOYSA-N 415.537 3.925 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc4cc(OC)ccc4n3C)C2)[C@@H]2CCCC(=O)N12 2356157042 BOZNSYWLXJCZKI-UDKICSLYSA-N 423.557 3.829 0 50 HHAA CCOc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 2592022 PNAPYGCDWNIGOR-QGZVFWFLSA-N 418.902 3.743 0 50 HHAA O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 2770621 HWMZBAPLJGCUJD-UHFFFAOYSA-N 408.885 3.857 0 50 HHAA COC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 6267416 VXGRJMNLAJZNNY-UHFFFAOYSA-N 410.451 3.526 0 50 HHAA Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1C 462342152 RSFMPQOASXAGFD-IBGZPJMESA-N 402.491 3.853 0 50 HHAA COc1ccccc1NC(=O)CCn1cnc(-c2ccccc2)c1-c1nccn1C 65376246 RVGNZJAOXSHRKL-UHFFFAOYSA-N 401.470 3.988 0 50 HHAA O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2Cl)NC(=S)N[C@@]1(O)C(F)(F)F 226355818 LNUKCRPQJUXJEG-VBQJREDUSA-N 414.836 3.609 0 50 HHAA COc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 239438998 ZHDUETSVHPQFSE-YVZLVKDNSA-N 414.461 3.505 0 50 HHAA CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 245247168 QVPHPJUALHNWMI-WGSAOQKQSA-N 405.498 3.567 0 50 HHAA Cc1cc2c(C)nc(N3CCC(NC[C@@H](C)Oc4cccnc4)CC3)nc2cc1F 299762068 VKBWWMVCRDJBHG-MRXNPFEDSA-N 409.509 3.807 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)CCn2nc(C)c(C(C)=O)c2C)cn1 1940196067 HVAGMAQCBLQVFX-UHFFFAOYSA-N 408.458 3.927 0 50 HHAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)CCN1Cc2ccccc2C1=O 828072054 CUZFGLIFGOCPFM-QGZVFWFLSA-N 405.498 3.686 0 50 HHAA Cc1cccc(N2CCC(NCc3ccc(OCC(=O)N4CCCC4)cc3)CC2)c1 952968663 CXPKQSHZSOGMSQ-UHFFFAOYSA-N 407.558 3.755 0 50 HHAA CCN1CCN(Cc2cc(C)cc(CNCc3nc4ccc(C)cc4[nH]3)c2C)CC1 952965374 QHNHGMKYXQIJIX-UHFFFAOYSA-N 405.590 3.915 0 50 HHAA C[C@@H]1Oc2c(cccc2C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)NC1=O 170621565 MFUFWCCDQYMTMY-HNNXBMFYSA-N 407.470 3.675 0 50 HHAA O=C(CCc1ccccc1)NC(=S)Nc1ccc(I)cc1 5582090 XPZWNYJBNDDDSX-UHFFFAOYSA-N 410.280 3.737 0 50 HHAA COc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)c3ccccc3OC)C2)cc1OC 11878798 YSBNVTUVEHSZIV-IYPOZPNPSA-N 409.482 3.847 0 50 HHAA COC(=O)c1cccc(C(=O)N2CCC[C@@H]3CN(CCc4ccccc4)CC[C@@H]32)c1 12278948 UFNUPPVPLMRJDO-PKTZIBPZSA-N 406.526 3.642 0 50 HHAA CN(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1nccn1C 12445879 ZFVPIXKVMOQGBF-UHFFFAOYSA-N 401.470 3.634 0 50 HHAA CSC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C 14754570 JLYXVYARVLCERC-KRWDZBQOSA-N 411.571 3.820 0 50 HHAA Cc1cc(=O)c(C(=O)N2CCCCC2)c(CCc2ccccc2)n1C[C@@H]1CCCO1 14964150 FCRPLOXQHJQNCN-NRFANRHFSA-N 408.542 3.747 0 50 HHAA CC[C@H]1CCCCN1Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 15067247 ABLSGFLPCIFIAL-PRGQWFPMSA-N 411.590 3.942 0 50 HHAA CCOc1ccccc1-c1noc(-c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)n1 169758270 SCSYFFJDKGPHLW-SFHVURJKSA-N 407.405 3.804 0 50 HHAA CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)NC[C@H]1CC(=O)Nc2ccccc21 1875263322 CLDLYPKAJPEMDH-DYESRHJHSA-N 413.493 3.653 0 50 HHAA C=CC(=O)Nc1cccc(NC(=O)c2ccccc2I)c1C 1875303250 HXOMLATZLJZGAR-UHFFFAOYSA-N 406.223 3.976 0 50 HHAA Cc1cccc(Nc2ccc(N3CCN(C(=O)CCC4CCCCC4)CC3)nn2)n1 11697175 AQHOJAMWPTWNTE-UHFFFAOYSA-N 408.550 3.933 0 50 HHAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(OCc2ccccc2)c1 626957 HPHBTVSJZIIGLN-UHFFFAOYSA-N 407.466 3.846 0 50 HHAA O=C1CN(c2ccc(Br)cc2)C(=O)CN1c1ccc(Br)cc1 1105204 UQKBMRDVAJNSPW-UHFFFAOYSA-N 424.092 3.591 0 50 HHAA O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1Sc1ncn[nH]1)c1ccccc1 2708614 DPCQZFNXDCJQFK-RTBURBONSA-N 408.508 3.825 0 50 HHAA CCOC(=O)c1c(NC2=NS(=O)(=O)c3ccccc32)sc2c1CC[C@@H](C)C2 3272756 UEIXGTSTCZQVRY-LLVKDONJSA-N 404.513 3.611 0 50 HHAA Cc1cccc(OC(=O)NCCOC(=O)N(O)c2ccc(Br)cc2)c1 3466665 GNNNHCWFNJYZAG-UHFFFAOYSA-N 409.236 3.878 0 50 HHAA biogenic Cc1oc(C)c(C(=O)Nc2cccc(C(=O)O)c2)c1C(=O)Nc1cccc(C(=O)O)c1 3889357 YTOWGYFIAJFZTR-UHFFFAOYSA-N 422.393 3.797 0 50 HHAA C[C@@H](Cc1ccc(F)cc1)N1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 11997360 PZOHRHDNLPUCSI-HNNXBMFYSA-N 418.896 3.873 0 50 HHAA Cc1ccc(CN2CCC(N3CCC(C(=O)NCCc4ccccc4)CC3)CC2)o1 12717921 MPOHGQGGTFVVES-UHFFFAOYSA-N 409.574 3.623 0 50 HHAA COCC(=O)N1CCc2c(cc(-c3cccc4ccsc34)c(=O)n2CC2CC2)C1 14536857 VVIMZYNBUYUUQG-UHFFFAOYSA-N 408.523 3.671 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3)n2)ccc1C 16625621 AEGCRMKWXXTCEU-MRXNPFEDSA-N 404.470 3.767 0 50 HHAA COc1ccc(NS(=O)(=O)c2ccc(NC(=S)N3CCC[C@@H](C)C3)cc2)cc1 17091965 JNMBSNULZSJHEF-OAHLLOKOSA-N 419.572 3.925 0 50 HHAA CCOc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1Br 19922565 BSVSVGCXBLVXSP-UHFFFAOYSA-N 419.319 3.932 0 50 HHAA CC(C)(C)c1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1 38530640 ZGHIATOTZITBCF-UHFFFAOYSA-N 407.562 3.727 0 50 HHAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)n1 49550848 KEXAOHQIHHVULI-UHFFFAOYSA-N 421.350 3.716 0 50 HHAA COc1ccccc1N1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1 169749812 MELJQGQECLKOGW-UHFFFAOYSA-N 414.469 3.529 0 50 HHAA Cc1nc(N2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)cc(C(F)(F)F)n1 169772266 SCLVCEQNMYRXKS-UHFFFAOYSA-N 416.806 3.995 0 50 HHAA Cc1ccccc1C1(CNS(=O)(=O)Cc2cccc3cccnc23)CCOCC1 170630581 VECTXVHIRWVDAG-UHFFFAOYSA-N 410.539 3.711 0 50 HHAA Cc1cccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1C 239174260 PQBLVODFEIOMIT-GHIJRLNRSA-N 417.505 3.851 0 50 HHAA Cc1cc(C)nc(SCC(=O)N(C)[C@@H]2[C@@H](C)CN(Cc3ccccc3)C[C@H]2C)n1 242001153 VDHOAIVLYPKFIH-YPGOJHLTSA-N 412.603 3.801 0 50 HHAA CC(C)c1cc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)n(-c2ncccn2)n1 474834018 OYJLMVBRPAOQEG-HXUWFJFHSA-N 419.533 3.744 0 50 HHAA Cc1cccc(C)c1OC[C@@H](NC(=O)CCc1c(C)nc(O)nc1O)c1ccccc1 755577255 MDGOMLAZCWJUKN-HXUWFJFHSA-N 421.497 3.682 0 50 HHAA O=S(=O)(CC1CCCC1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704326297 TZHNLVZSUNALIA-QHCPKHFHSA-N 411.571 3.943 0 50 HHAA Cc1cc(C)n2ncc(-c3nccn3Cc3noc(-c4c(F)cccc4F)n3)c2n1 1857706136 BBIJLZFJPIWDTL-UHFFFAOYSA-N 407.384 3.586 0 50 HHAA C[C@@]1(CNC(=O)NCc2cccc(OC(F)F)c2)CCN(Cc2ccccc2)C1 1875306627 AEWVZMNQJVMULZ-QFIPXVFZSA-N 403.473 3.999 0 50 HHAA Cc1ncccc1-n1nc([C@@H]2CCCO2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2C 2325872667 IQXCCDNWXIZSAJ-IBGZPJMESA-N 403.486 3.743 0 50 HHAA CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 707853 SIXZNEMNHUPNMH-ZQFKLAOWSA-N 411.432 3.966 0 50 HHAA CN(Cc1ccn(C)n1)C(=O)c1ccc(COc2ccccc2Br)o1 2794563 UZNGQQWCDOHVSW-UHFFFAOYSA-N 404.264 3.627 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)Cc2ccccc2)cc1 2916959 QJLZYBYYRGWPMT-UHFFFAOYSA-N 412.486 3.964 0 50 HHAA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 11697921 VXNOYAZWQMDCLI-UHFFFAOYSA-N 416.529 3.875 0 50 HHAA Cc1ccc(OCCN(C)C(=O)c2cc(COc3ccc(F)cc3F)on2)cc1 11816879 CRYPNMJZDYDOEF-UHFFFAOYSA-N 402.397 3.991 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N(C)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 11841543 MQNXGIKAHITOPP-OAQYLSRUSA-N 414.569 3.522 0 50 HHAA CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(C(=O)c1ccc(-c3ccco3)cc1)CCO2 11965226 POQWDJSAURJJGJ-RUZDIDTESA-N 420.509 3.751 0 50 HHAA O=C(NCCc1cn2ccccc2n1)c1cc(COc2ccc3c(c2)CCCC3)on1 12307237 HKTJZFRRCRATFR-UHFFFAOYSA-N 416.481 3.753 0 50 HHAA Cc1nn(C)cc1[C@H](C)NC(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1 14884302 AAIMURBMLFXUTI-SSOJOUAXSA-N 418.541 3.731 0 50 HHAA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCCC3)[C@@H](C(=O)O)C1 17090746 BUMRHLINJSWVEU-CVEARBPZSA-N 416.543 3.905 0 50 HHAA COc1ccc(Cl)cc1NC(=O)NCCNc1nc(C)cc(N2CCCCC2)n1 72115879 FNOUCNKVVABLTJ-UHFFFAOYSA-N 418.929 3.671 0 50 HHAA O=C(NC1CCCCCCC1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82083833 ZCLNJGMGKIGSLU-QFIPXVFZSA-N 412.622 3.987 0 50 HHAA COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(Cc1cncnc1)CC2 95508154 YMHCTPJWAXXLBS-UHFFFAOYSA-N 402.498 3.615 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(F)c(F)c4)C3)[nH]n2)cc1 169753943 CLHRRCMUMLPAHH-MRXNPFEDSA-N 412.440 3.762 0 50 HHAA Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 208076131 RDALZZCKQFLGJP-UHFFFAOYSA-N 413.481 3.513 0 50 HHAA in-vitro CC(C)[C@@H](NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 223218487 JXSKHGZKTKZSTN-JOCHJYFZSA-N 417.513 3.910 0 50 HHAA C[C@H](Cc1cncc2ccccc12)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 253423872 JUQJNMCGRWJWJN-LJQANCHMSA-N 415.537 3.968 0 50 HHAA Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)Cc2ccccc2Cl)CC3)n1 299770989 UBUFMVMJYXPEDI-LJQANCHMSA-N 411.933 3.531 0 50 HHAA Cc1nc(-c2cccc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)c2)cs1 463455621 PPZKJPZUUUNSCG-UHFFFAOYSA-N 401.513 3.635 0 50 HHAA COc1nc2c(cc1C(=O)Nc1ccc3c(c1)C[C@@H](C)O3)C(=O)N(C1CCCC1)C2 824845444 OEJHAJWRGDGVHL-CYBMUJFWSA-N 407.470 3.564 0 50 HHAA Cc1ccc(C)c(OCCc2nnc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)s2)c1 1529181649 TXDWOKWHAQTJKE-KRWDZBQOSA-N 422.510 3.590 0 50 HHAA CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 675262 MDHLJIZHRWJQFU-UHFFFAOYSA-N 416.543 3.831 0 50 HHAA Cc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(Br)c1 1120119 GFXKZUFKRVXFJH-UHFFFAOYSA-N 407.283 3.624 0 50 HHAA CC(=O)Oc1ccc(/C=c2/sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 2285551 DUVYKHBKLAHUHQ-CPNJWEJPSA-N 419.506 3.589 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1 2759714 FEKHUXIBVZCDMF-UHFFFAOYSA-N 412.515 3.616 0 50 HHAA CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2Cl)CC1 4412693 GOHBQEJIICJCOZ-UHFFFAOYSA-N 401.894 3.660 0 50 HHAA CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2)CC1 9418831 KJFAERALWASDNT-UHFFFAOYSA-N 415.921 3.662 0 50 HHAA CCCc1cc(CN(C)C(=O)c2cc(COc3ccccc3SC)on2)n[nH]1 12317077 VDJTXWBTZWUHEX-UHFFFAOYSA-N 400.504 3.923 0 50 HHAA O=C(c1nc(N2CCCC2)nc2c1CCCC2)N1CCCC[C@H]1CCc1ccccn1 12449220 VHAPCAJLRHEBCO-FQEVSTJZSA-N 419.573 3.978 0 50 HHAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3occc3C)C2)c(OC)c1 12457762 GRCBWJMVENBKSF-KRWDZBQOSA-N 414.502 3.554 0 50 HHAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCC4(C)CC4)C3)C2=O)c1 12458307 PRIJARXHDVXTIX-HSZRJFAPSA-N 402.510 3.756 0 50 HHAA CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2 14967073 GDDWATKVBRSLTD-JOCHJYFZSA-N 411.594 3.758 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@@H](NCc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1 20451610 XLIYSNUWNKLAHT-CTNGQTDRSA-N 421.919 3.876 0 50 HHAA OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1C1CCCCC1 22913884 USWOHPYHDMQLHR-OAQYLSRUSA-N 402.970 3.931 0 50 HHAA COCCN(Cc1ccc(OC)c(O)c1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 55134221 UMRVEJRCPIIURT-OAQYLSRUSA-N 424.585 3.729 0 50 HHAA COc1ccc(-c2noc(-c3nnn4c3CO[C@@H](c3ccc(F)cc3)C4)n2)cc1F 169758289 VIQWKMZHUUICRI-QGZVFWFLSA-N 411.368 3.553 0 50 HHAA O=C(CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 230013139 KHSPNQFTGFMJJP-WDJPJFJCSA-N 414.546 3.532 0 50 HHAA COc1cc(S(=O)(=O)Nc2cccc(C)c2C)c(OC)cc1Br 436046260 QAUFOMFNBKBOAP-UHFFFAOYSA-N 400.294 3.884 0 50 HHAA O=C1CCc2cc(C(=O)NC3(c4noc([C@@H]5CCCO5)n4)CCCCCC3)ccc2N1 437023463 WNAUEEKBZQACEE-SFHVURJKSA-N 424.501 3.785 0 50 HHAA Cn1cccc1[C@H]1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 463398993 YICUEBXCYXKCPI-QGZVFWFLSA-N 406.255 3.622 0 50 HHAA CN1C(=O)[C@]2(CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)c2ccccc21 823811700 GIUXIAMGESBISG-VWLOTQADSA-N 413.525 3.599 0 50 HHAA O=C1CCCN1C[C@@H]1CCN(C(=O)c2cccnc2SCC2CCCCC2)C1 1301094331 VNFSCODNKDHOLO-SFHVURJKSA-N 401.576 3.839 0 50 HHAA Cc1ccc(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)cc1NC(=O)C1CCCC1 1857679090 WOHLWKVRDMAZHG-UHFFFAOYSA-N 406.530 3.965 0 50 HHAA O=C(Nc1nc2cc(Cl)cc(Cl)c2[nH]1)[C@H]1CCCN(C(=O)c2ccccn2)C1 2325828233 BNABXEJDOFLTFK-NSHDSACASA-N 418.284 3.756 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H]2c2ccc(Br)cc2)CC1 2325889388 NJRVZVBXUPHBBP-ZWKOTPCHSA-N 405.336 3.626 0 50 HHAA CCc1ccc(N2C=C(C(=O)OC)C(c3ccc4c(c3)OCO4)C(C(=O)OC)=C2)cc1 1120167 MTGFFGNUOHJYAL-UHFFFAOYSA-N 421.449 3.695 0 50 HHAA COC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl 1214880 WZVYULKTYGPZSB-UHFFFAOYSA-N 404.669 3.690 0 50 HHAA Cc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1S(=O)(=O)N(C)C 1293877 WFKNMVRYFIMBGJ-UHFFFAOYSA-N 410.543 3.846 0 50 HHAA O=C(NCc1ccccn1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 2879374 KFRMDLBMCHSDGY-HIFRSBDPSA-N 407.421 3.930 0 50 HHAA CCOc1cc(C(=O)Nc2ccccc2N2CCOCC2)cc(OCC)c1OCC 2884919 HENAASCXZJDLLZ-UHFFFAOYSA-N 414.502 3.972 0 50 HHAA O=C(COc1ccccc1)N1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 4893384 UPMMBBOJXYCOGT-QHCPKHFHSA-N 420.553 3.785 0 50 HHAA CCOc1ccc2nc(N3CCCN(Cc4c(C)nn(CC)c4C)CC3)nc(C)c2c1 55575371 UNHULIQHZZDHLX-UHFFFAOYSA-N 422.577 3.882 0 50 HHAA O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cnn(-c2ccccc2F)c1 225446778 XNPQVNRWKOWRTL-GMAHTHKFSA-N 411.452 3.654 0 50 HHAA O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccccc1F 23411310 HNCVNYXHHBBHPS-FQEVSTJZSA-N 415.428 3.687 0 50 HHAA CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)N1CCCCC1 65364963 BYFNKVWCEYUUHR-UHFFFAOYSA-N 404.557 3.860 0 50 HHAA CCN(CC)C(=O)C1CCN(Cc2nc(-c3cc(OC)ccc3F)oc2C)CC1 20539876 OAIFJPXLTRVVAO-UHFFFAOYSA-N 403.498 3.878 0 50 HHAA CCN1CC[C@@H](N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@@H](C)C1 229848051 JXZWVEUXGSBXNL-AZUAARDMSA-N 411.594 3.770 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)nn2)nc1 72139237 APPZOMUWLOWROH-UHFFFAOYSA-N 417.517 3.895 0 50 HHAA COC(=O)[C@@H](CSCc1ccccc1)NC(=O)CSc1nc2ccccc2o1 4718106 RXBFNJOIGJBWKP-MRXNPFEDSA-N 416.524 3.511 0 50 HHAA O=C([C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCCC1 82138567 KZRXBMFCSZOXLL-QHCPKHFHSA-N 412.622 3.941 0 50 HHAA CC(C)c1noc([C@@H](C)NC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)n1 828182607 HVVQFWVMOANRNT-OAHLLOKOSA-N 413.499 3.658 0 50 HHAA CCC(=O)N1CCC(C(=O)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)CC1 822529904 YJFRWKGMQDQOCK-DEOSSOPVSA-N 400.563 3.668 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H](OCc2ccccn2)C1 952975165 YLXAKOPZWPZDHL-JOCHJYFZSA-N 404.514 3.634 0 50 HHAA COc1cc2c(cc1CN1CCCN(Cc3ccc(F)cc3)CC1)OCCCO2 1506426640 JRTJOLBFESQOOT-UHFFFAOYSA-N 400.494 3.704 0 50 HHAA Cc1ccc(SC2CCN(CC(=O)Nc3nnc([C@@H]4CCCO4)s3)CC2)cc1 1506428673 ROYOZMLBNBDXJQ-KRWDZBQOSA-N 418.588 3.893 0 50 HHAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 851340 RRHHHKDCFKAYHL-NYYWCZLTSA-N 414.874 3.583 0 50 HHAA O=c1[nH]c2c(-c3nc(-c4ccc(Cl)cc4)no3)nnn2c2sc3c(c12)CCCC3 1775971584 WATSXQVAVMRPFX-UHFFFAOYSA-N 424.873 3.882 0 50 HHAA CCCOc1c(CN2CC(=O)N[C@@H](Cc3ccccc3)C2)cc(Cl)cc1OC 1772703323 KQGVXVHSXGTEGF-IBGZPJMESA-N 402.922 3.681 0 50 HHAA O=C(CC[C@H]1CCCN(C(=O)CC2=CCCCC2)C1)N1CCN(c2ccccn2)CC1 12204544 YBNTUXOIOGSLCP-JOCHJYFZSA-N 424.589 3.640 0 50 HHAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2ccc(SC)cc2)C1 12386857 XCJHJXYYRYMSOU-LJQANCHMSA-N 414.571 3.824 0 50 HHAA O=C1CC[C@@H](C(=O)N2CCC(CCc3ccccc3)CC2)CN1Cc1ccccn1 12439384 ZXCNLJZGBFAUNW-JOCHJYFZSA-N 405.542 3.692 0 50 HHAA CN(Cc1cccc(OCCO)c1)CC1CCN(CCc2ccccc2F)CC1 12592964 XODMDBQVBIUZHG-UHFFFAOYSA-N 400.538 3.583 0 50 HHAA COc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1OC[C@H](O)CN(C)C(C)C 12708605 DZGLPGMESOPWQV-KCSYZCLISA-N 416.606 3.689 0 50 HHAA CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNC2Cc3ccccc3C2)cc1 12718107 ZYPYGAFWCCEIFY-SANMLTNESA-N 416.565 3.815 0 50 HHAA COc1ccc(NC(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c(OC)c1 15070897 SQLPRJQZNYCZBJ-FQEVSTJZSA-N 424.545 3.522 0 50 HHAA COc1ccc2cc(-c3nccn3C3CCN(C[C@@H]4CCCO4)CC3)c(O)nc2c1 1857699065 GNBPCYXIOVNFEY-IBGZPJMESA-N 408.502 3.628 0 50 HHAA Cn1cc(Br)cc(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c1=O 433037831 HDOAZLKCARDBQS-MRXNPFEDSA-N 402.292 3.907 0 50 HHAA NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1 1848349776 CSJYMAFXYMYNCK-UHFFFAOYSA-N 416.886 3.961 0 50 HHAA CS(=O)(=O)c1ccsc1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 2325748270 UTOCRMOXKHYMEG-UHFFFAOYSA-N 424.507 3.856 0 50 HHAA COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c1OC 651722 RLZXZJOPUSTNGF-KRWDZBQOSA-N 417.918 3.789 0 50 HHAA CN(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 940170 FAEBDWSPNAQGDN-QFIPXVFZSA-N 413.477 3.599 0 50 HHAA O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1C(=O)c1ccccc1 1105672 XTJXHVZDHWCCAE-UHFFFAOYSA-N 415.478 3.624 0 50 HHAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 1188172 VRGGHTCQCXKMQM-LJQANCHMSA-N 415.877 3.932 0 50 HHAA COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 1197594 AIABLJKRHWYMQE-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccccc2F)NC(=O)N1 1208483 AZYXVZSJWITXGB-MRXNPFEDSA-N 404.239 3.855 0 50 HHAA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1ncccn1 6741324 JTPHISYQUSRSDM-UHFFFAOYSA-N 403.460 3.862 0 50 HHAA CC(=O)N[C@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl 13522729 QNJIOXRMVXPYRT-SECBINFHSA-N 419.559 3.568 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)c1 13636615 ILOTUFMCVUSVBQ-IBGZPJMESA-N 408.542 3.939 0 50 HHAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)[C@H]4CC45CCC5)CC3)c2)s1 14979941 CSLZIAXXPPSKMY-GOSISDBHSA-N 410.543 3.881 0 50 HHAA COc1cc(CN2CCN(Cc3ccccc3Br)CC2)cc2c1OCO2 19781743 DZFSVKWEJSWZAS-UHFFFAOYSA-N 419.319 3.504 0 50 HHAA COc1ccccc1NC(=O)CN1CCN(Cc2ccc(Cl)cc2Cl)CC1 22752631 AXGZIHIGFFIOGV-UHFFFAOYSA-N 408.329 3.758 0 50 HHAA O=C1NC(=O)[C@H](Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 71770830 XVNZNIIVZXQZBX-FQEVSTJZSA-N 402.450 3.595 0 50 HHAA CC(C)Cn1c(CC2(CC(=O)NCc3ccncn3)CCCC2)nc2cccnc21 77407648 JJXDYMXQHSIESG-UHFFFAOYSA-N 406.534 3.687 0 50 HHAA C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)[C@H]1C[C@H]2CC[C@H]1C2 240333421 FDDBPKZHODQGNA-GTGHHMRSSA-N 419.525 3.548 0 50 HHAA C[C@@H]1Sc2ccc(C(=O)N3[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]3C)cc2NC1=O 242191327 XEPXNFVFWMLSFA-MCIONIFRSA-N 419.547 3.589 0 50 HHAA Cc1ccc(-c2nn3c([C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C(=O)O)nc4ccccc4c3nc2=O)cc1 248063711 DWUYFBGGHLGZBM-CPLUKWAASA-N 424.460 3.603 0 50 HHAA COc1ccc(-c2ccnc(C3CCN(C(=O)[C@H]4C[C@H]5CCCCN5C4)CC3)n2)cc1 952892057 DRXJOMLPUKSDAA-LEWJYISDSA-N 420.557 3.733 0 50 HHAA Cc1ncnc(N2CCN(C(=O)C[C@H](Cc3ccccc3)c3ccco3)CC2)c1C 952966214 IKEBTKAHWNNKEI-NRFANRHFSA-N 404.514 3.752 0 50 HHAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCC1(CO)CCCC1 1857730752 VYWSITJHSZAKPZ-HNNXBMFYSA-N 405.926 3.757 0 50 HHAA Cn1nc(CSc2n[nH]c(COc3ccc(Br)cc3)n2)cc1Cl 2325819676 MPKMOHAYVAPZNO-UHFFFAOYSA-N 414.716 3.825 0 50 HHAA CC/C=C/C=C/C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2ccccn2)ns1 2325872096 HQRZCDZIYUOITK-DXJYNXETSA-N 410.543 3.885 0 50 HHAA CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(C)cc2)cc1OC 716240 RSRZJOGQVUZDJP-OAQYLSRUSA-N 410.470 3.774 0 50 HHAA CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Oc2ccccc2)cc1 879174 HZDIDQIXBRLLBQ-UHFFFAOYSA-N 402.516 3.648 0 50 HHAA COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC[C@H]4CCCO4)c3C)C2)cc1OC 1070376 VQMRMSKFTNTPFH-JKSUJKDBSA-N 413.470 3.589 0 50 HHAA COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1 1072187 PDSHNTWVFAWUOT-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA COc1cccc(C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)c1 1154916 UADHEAKSDPAAFC-MRXNPFEDSA-N 414.527 3.797 0 50 HHAA COc1cc([C@@H]2CO[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC 2530758 DUAYHYGJMLZLCE-GHTZIAJQSA-N 406.431 3.525 0 50 HHAA in-vitro O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(c1ccccc1)c1ccccc1 2890593 PWEJZGHDSYGJPM-UHFFFAOYSA-N 400.478 3.930 0 50 HHAA COc1cccc(CCNCc2cc3cc4c(cc3nc2N2CCCC2)OCO4)c1 11970930 BFKZOUUGTZYTNN-UHFFFAOYSA-N 405.498 3.905 0 50 HHAA Cc1c(C(=O)N2CC[C@H](N(C)C)C2)sc2ncnc(NCCCc3ccccc3)c12 12163129 MMCBKGIYEGWPLE-SFHVURJKSA-N 423.586 3.821 0 50 HHAA Cc1ncc(CN2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)n1C 12197220 CUVIFFLGVUQQLZ-GOSISDBHSA-N 405.502 3.767 0 50 HHAA CC(=O)c1ccc(-c2nnc(CCC(=O)N[C@H](c3cccnc3)C(F)(F)F)o2)s1 12441203 YAARIXROFKVTEA-MRXNPFEDSA-N 424.404 3.748 0 50 HHAA COC(=O)c1ccc(CN(C)CC2CCN(CCc3ccccc3OC)CC2)cc1 12453696 LHDWCFGSLYSFFP-UHFFFAOYSA-N 410.558 3.868 0 50 HHAA Cc1c(C(=O)N(C)Cc2cccs2)sc2ncnc(NC[C@@H]3CCCO3)c12 12456293 WKMFJUKXTWLDRD-ZDUSSCGKSA-N 402.545 3.924 0 50 HHAA COc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1Br 19790208 TXBLBCFAFVSLPX-UHFFFAOYSA-N 407.283 3.555 0 50 HHAA CC(=O)N1CCC(N2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 20586784 LJYRHOWTJXDMTI-JOCHJYFZSA-N 422.529 3.678 0 50 HHAA CCCCn1c(CN(CC)Cc2ccncc2)cnc1S(=O)(=O)CC1CCC1 55035713 YLTMARYCWPRHGA-UHFFFAOYSA-N 404.580 3.674 0 50 HHAA Cc1nc2cc(OCc3nc(C(=O)NCCC4(O)CCCC4)co3)ccc2s1 91915015 UADAWOSFNQKMSD-UHFFFAOYSA-N 401.488 3.597 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2cn[nH]c2)CC1 95517366 QJMOAPAMUJCUEM-UHFFFAOYSA-N 403.530 3.668 0 50 HHAA O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccccc1 110886486 XKSMGRAMABZIDW-RPWUZVMVSA-N 413.521 3.741 0 50 HHAA COc1cccc(C(=O)COc2ccccc2N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)c1 169698688 IMTUFPTYEPFILR-IPELMVKDSA-N 407.466 3.883 0 50 HHAA COc1cc(OC)cc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1 169776432 DYXAQOHDBZGOED-GOSISDBHSA-N 424.476 3.632 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C(N)=O)C1 239164783 MXASBNLPNWRENT-JHJVBQTASA-N 404.532 3.604 0 50 HHAA O=S1(=O)CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC12CCCCC2 441793364 HEDCHWDLJZWMHU-UHFFFAOYSA-N 420.535 3.535 0 50 HHAA Cc1ccccc1-c1noc(CCCC(=O)N2CCN(c3ccc(F)cn3)[C@@H](C)C2)n1 1857683114 VRGFXTTWHWZUGQ-KRWDZBQOSA-N 423.492 3.639 0 50 HHAA O=C(/C=C/c1ccccc1)NC1CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 1875379225 OICLPFWQRQBUGS-VWMRQFFHSA-N 412.917 3.584 0 50 HHAA COc1cccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 1135349 OHZFCPFBHXCBIL-OAQYLSRUSA-N 400.434 3.541 0 50 HHAA COc1cccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 1173382 WHHIERXXXSGTRU-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA Cc1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)c1 2054534 VCSYHTVWMUNNGM-UHFFFAOYSA-N 404.260 3.902 0 50 HHAA CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 2848383 YPFLBEFCSAINOT-UHFFFAOYSA-N 400.525 3.821 0 50 HHAA Cc1ccccc1N(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1 4723832 SWFLCCCDXTUDNQ-UHFFFAOYSA-N 408.523 3.549 0 50 HHAA O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2 101222531 FKSSXKPJONRIDC-TWOQFEAHSA-N 418.946 3.840 0 50 HHAA CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccc(C)cc2)ccc1=O 20095510 PULHMSMVIYBULS-LJQANCHMSA-N 405.454 3.580 0 50 HHAA O=c1c2nnc3nc(C(F)(F)F)nn3c2ccn1-c1ccc(Oc2ccccc2)cc1 71384885 YFFPXDYCHUCDMB-UHFFFAOYSA-N 424.342 3.635 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 17082911 OLISTOKEPCXXGI-KGLIPLIRSA-N 404.532 3.739 0 50 HHAA COC(=O)C[C@@H](c1ccco1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O 253401943 FXZFBDCKYUXURQ-SFHVURJKSA-N 420.465 3.874 0 50 HHAA biogenic CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(Cl)c2)C1=O 1147218 QHYVALHUTOYORW-KPKJPENVSA-N 404.271 3.992 0 50 HHAA CCC[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1)C(=O)O 5104798 IZKHTHXRBXJFPH-DYGKOUCMSA-N 414.889 3.789 0 50 HHAA O=C(NC[C@H]1CCCN(C(=O)Cc2cccnc2)C1)c1ccc(-c2ccccc2)cc1 11667832 VBKWMEIJSRCQQV-OAQYLSRUSA-N 413.521 3.960 0 50 HHAA Cc1ccc(OC[C@H]2CCCN(C(=O)CC[C@]3(Cc4ccco4)CCC(=O)N3)C2)cc1 11787759 FSKYHMQDARIDQW-CPJSRVTESA-N 424.541 3.877 0 50 HHAA COc1cc(C(=O)N2CCC(OC)CC2)ccc1OC1CCN(C2CCCC2)CC1 11879982 UXBPDLSETGAKJZ-UHFFFAOYSA-N 416.562 3.732 0 50 HHAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)Cc2cccs2)C3)n1 12247880 XAHHWMOXQUMURB-UHFFFAOYSA-N 410.495 3.791 0 50 HHAA O=C(CC[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCCCC2)C1)N1CCOCC1 12577510 JCGAWZUGWDTAJT-NRFANRHFSA-N 412.574 3.766 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(c3ccnc(SC)n3)C2)c1 12704933 GFWVPYGJEQKUGO-MRXNPFEDSA-N 400.548 3.520 0 50 HHAA COc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2cccc(Cn3cccn3)c2)C1 12836175 HPIBVINRSIJSDE-FQEVSTJZSA-N 403.482 3.675 0 50 HHAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(Cl)c4)ccn3n2)cc1C 169775958 AMKHORRNXGKSDX-UHFFFAOYSA-N 420.900 3.863 0 50 HHAA O=C(O)c1ccccc1S[C@H]1CC(=O)N(c2ccccc2Br)C1=O 4821375 DAQOFBQHPDRZPZ-AWEZNQCLSA-N 406.257 3.572 0 50 HHAA O=C(c1c[nH]c2ncc(Br)cc12)N1CCO[C@]2(CCc3ccccc32)C1 472399070 USHYWLQNLURWSQ-HXUWFJFHSA-N 412.287 3.640 0 50 HHAA COc1ccccc1-c1ccnc(C2CCN(C(=O)[C@H]3C[C@H]4CCCCN4C3)CC2)n1 952893899 ONQRFVVPHFNAHQ-VQTJNVASSA-N 420.557 3.733 0 50 HHAA C[C@@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 1875265178 NXDUMLWEMHQBAV-GFCCVEGCSA-N 418.906 3.593 0 50 HHAA COc1ccc2c(ccn2CC(=O)Nc2ccc(C)c(N3CC[C@H](N(C)C)C3)c2)c1 1875260574 YAABKAPQBXHATE-FQEVSTJZSA-N 406.530 3.737 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)NC[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1875369629 ZLQSZDVCBPJFSX-KRWDZBQOSA-N 413.518 3.578 0 50 HHAA c1ccc(COc2cccc(N3CCN(c4nccc(-n5cccn5)n4)CC3)c2)cc1 1875362067 PKHVVLUCZFBVJR-UHFFFAOYSA-N 412.497 3.568 0 50 HHAA O=C(N=c1nc(-c2ccccc2C(F)(F)F)[nH]s1)N[C@@H]1CC[C@H]2[C@H]1C2(F)F 1875342016 UGEDZBBIEFQCME-HBNTYKKESA-N 404.364 3.811 0 50 HHAA COc1ccc(OC)c(C(=O)c2oc3ccccc3c2NC(=O)CN2CCCC2)c1 862772 UASKAQAXIXLENL-UHFFFAOYSA-N 408.454 3.715 0 50 HHAA O=C(CN1CC[C@@H](c2ccccc2)c2ccccc21)N[C@H](Cc1ccccc1)C(=O)O 2325863463 KUAGWICWGYUSQH-JTHBVZDNSA-N 414.505 3.841 0 50 HHAA COc1ccc(C)cc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 951429 VJFUCFMAKOKBKX-OAQYLSRUSA-N 414.461 3.850 0 50 HHAA COc1cc(CNCCCN2CCOCC2)ccc1OCc1ccccc1Cl 2845863 WOGAHFLHAUYLEF-UHFFFAOYSA-N 404.938 3.740 0 50 HHAA Cc1ccc(C(=O)Oc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)cc1 4715485 IPKBDRAWRYDIQE-UHFFFAOYSA-N 413.433 3.563 0 50 HHAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 4820969 AWOAFAXLVFCJHV-UXHICEINSA-N 404.466 3.885 0 50 HHAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 4828934 ACQWOIVUEBBUFA-KRWDZBQOSA-N 405.445 3.815 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(C(=O)c3cccc(F)c3F)CC2)O1)C1CCCCC1 11787548 BEUQGRVNGJZYNU-KRWDZBQOSA-N 420.500 3.815 0 50 HHAA O[C@@H](COc1ccc(CNCCn2ccc3ccccc32)cc1)CN1CCCCC1 11818504 VTQVETSCBYWVKX-HSZRJFAPSA-N 407.558 3.657 0 50 HHAA C[C@H](Cc1cccs1)NC1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1 11912664 GFCBASNTPLFYEB-QGZVFWFLSA-N 421.570 3.980 0 50 HHAA COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(CCC(=O)Nc3ccccc3)CC1)CO2 12200180 WJVRMTWGRVYLEE-HXUWFJFHSA-N 422.525 3.904 0 50 HHAA CCN1CCC[C@@H]1CN(Cc1cccc(C(C)=O)c1)CC1CCN(CCOC)CC1 22851388 MDYQQTDKRUPAKP-RUZDIDTESA-N 415.622 3.534 0 50 HHAA COc1ccc(NC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)cc2=O)cc1OC 169752814 OYWIHGXLUGOVLD-UHFFFAOYSA-N 413.861 3.528 0 50 HHAA O=C(NCc1nnc2ccc(-c3ccc(Cl)cc3)nn12)c1cccc2[nH]ccc12 169778501 GECKZIHISUPBNL-UHFFFAOYSA-N 402.845 3.856 0 50 HHAA CN(C)C(=O)N1CCC(C(=O)Nc2cccc(CC[C@H](O)c3ccccc3)c2)CC1 170658466 VIPXDZYIWNZQHU-QFIPXVFZSA-N 409.530 3.685 0 50 HHAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@]4(O)C(=O)COC(C)=O)[C@]2(C)CC1 257356467 IFPCMALVGSJXQO-ONJLRMBPSA-N 402.531 3.953 0 50 HHAA CC1(C)C[C@@H](NC(=O)N2CCn3c(nnc3-c3ccccc3)C2)c2ccc(F)cc2O1 486479037 MPYSRKAACZNADK-GOSISDBHSA-N 421.476 3.912 0 50 HHAA Cn1c(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)cc2cc(C(F)(F)F)ccc21 742667103 QBFQZLIBOLOHDU-MRXNPFEDSA-N 407.436 3.814 0 50 HHAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)c1c[nH]nc1C1CCCCC1 1704300420 VLQPXJQTGBBXHM-GCJKJVERSA-N 404.514 3.993 0 50 HHAA Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2sccc2C(C)C)nn2ccccc12 2325830039 YSUPUMHXZRDBAS-HOTGVXAUSA-N 408.527 3.567 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cnn(Cc4ccccc4)c3)C2)c2cccc(=O)n21 2356154902 OZNMFHVGIAGRMV-VWPQPMDRSA-N 416.525 3.694 0 50 HHAA Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccncc1 635215 XJZAFMJCRHXMSW-NJYVYQBISA-N 403.413 3.580 0 50 HHAA O=C(N/C(=C/c1cccc(Br)c1)C(=O)N1CCCCC1)c1ccco1 657740 MHIWHYXZDFAAJT-DTQAZKPQSA-N 403.276 3.826 0 50 HHAA COc1cc(C(=O)Nc2sc3c(c2C(=O)O)CC[C@H](C)C3)cc(OC)c1OC 707051 QECONBDPHOKWPN-JTQLQIEISA-N 405.472 3.849 0 50 HHAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1Br 832314 WZTQGCSTUMSKPC-INIZCTEOSA-N 409.280 3.571 0 50 HHAA Cc1nnc(SCC(=O)Nc2nc3ccc(Br)cc3s2)s1 1018835 AFXQIMHHYHAYRN-UHFFFAOYSA-N 401.336 3.950 0 50 HHAA COc1cc(OC)c(C(=O)Nc2cccc(I)c2)cc1OC 1108795 VVLDSMMQGAVICN-UHFFFAOYSA-N 413.211 3.569 0 50 HHAA CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NCc1ccco1 1176342 NTPAORNCQMSIPK-OAQYLSRUSA-N 419.481 3.603 0 50 HHAA Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)COc1ccccc1 2259186 PWZBNLDKBMOBQX-UHFFFAOYSA-N 413.477 3.604 0 50 HHAA CCc1nccn1CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 11754212 ULKCBFMVZPXIAM-IBGZPJMESA-N 409.509 3.990 0 50 HHAA CCc1ccc(CN2CCC3(CC2)C[C@H]3C(=O)N2CCN(Cc3ccccc3)CC2)o1 11972238 AQYBESSAIORXBH-DEOSSOPVSA-N 421.585 3.789 0 50 HHAA c1ccc(-n2cc(CNCCCn3cccn3)c(-c3ccc4c(c3)OCO4)n2)cc1 12206097 CMUJTXAHQFALDU-UHFFFAOYSA-N 401.470 3.644 0 50 HHAA CC(C)CS(=O)(=O)c1ncc(CN(C)[C@H](C)c2ccon2)n1Cc1ccccc1 12300642 XLWVPALPBCCPGR-QGZVFWFLSA-N 416.547 3.542 0 50 HHAA O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1cccc(F)c1 12328952 RDMHMDLRWCPLAB-KRWDZBQOSA-N 404.869 3.879 0 50 HHAA CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2 14955636 MOJABNPCIKVSHX-GOSISDBHSA-N 423.483 3.579 0 50 HHAA O=C(COc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)/C=C/c2cccs2)C1 14991830 LXGQKBPILIBBAM-ZXFANKLMSA-N 410.539 3.680 0 50 HHAA CC(=O)n1cc(/C=c2/sc3nc4c(C)cc(C)cc4n3c2=O)c(-c2ccccc2)n1 15659900 FBUAZOCNCZXVRH-YBFXNURJSA-N 414.490 3.597 0 50 HHAA COc1ccccc1NC(=O)C[C@H]1Cn2ncc(-c3ccc(Cl)cc3)c2NC1=O 16647563 NSINXMVVNGOMLR-AWEZNQCLSA-N 410.861 3.809 0 50 HHAA CC(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)cc1 19800688 NKPDADVFODUXTE-HAVVHWLPSA-N 416.525 3.984 0 50 HHAA c1ccc(OCc2noc(CN3CCN(C45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 23375209 VKZUDVCZJZMBNX-UHFFFAOYSA-N 408.546 3.735 0 50 HHAA COc1ccc2c(C(=O)N(C)Cc3csc(C)n3)cc(-c3cnn(C)c3)nc2c1 63848003 LXWUMNGKHGOATF-UHFFFAOYSA-N 407.499 3.681 0 50 HHAA CN(C)S(=O)(=O)c1cccc(NCc2ccc(Cl)c(Br)c2)c1 170591979 FBWCUPQAFGJZFH-UHFFFAOYSA-N 403.729 3.965 0 50 HHAA CN1CCN(Cc2ccc(NCc3c(Cl)ccc4cccnc34)c(F)c2)CC1=O 2325742328 YIEOULPYZRZFSP-UHFFFAOYSA-N 412.896 3.913 0 50 HHAA C[C@H]1CN(c2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)ccn2)CCO1 2325822166 GUNQSSILESPVPZ-INIZCTEOSA-N 415.921 3.644 0 50 HHAA C[C@H](CCNC(=O)CCC(=O)c1cccs1)NC(=O)[C@H](C)c1ccccc1F 2325826023 LYCVKAHGTJDRBW-HUUCEWRRSA-N 404.507 3.665 0 50 HHAA CC(C)(C)OC(=O)c1cc2c(=N[C@H](CCO)c3ccccc3Cl)nc[nH]c2[nH]1 2325840190 SUPUDZKGUQFXSD-OAHLLOKOSA-N 402.882 3.524 0 50 HHAA CC(C)C1(C)CCN(c2nnc([C@H](C)S(C)(=O)=O)n2Cc2ccccc2)CC1 2325840191 SVTBHHXLYLOJPG-KRWDZBQOSA-N 404.580 3.695 0 50 HHAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1CCCC[C@@H]1c1nccs1 2356139537 ZZFZPLHIUWQKGH-OAHLLOKOSA-N 403.573 3.723 0 50 HHAA COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c1OC 651719 RLZXZJOPUSTNGF-QGZVFWFLSA-N 417.918 3.789 0 50 HHAA CCOc1ncccc1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2CCC(C)C 2356143031 RGKBLQZPBCDBSD-LQWHRVPQSA-N 409.530 3.879 0 50 HHAA Cc1nc(Nc2nc(CSc3nc4ccccc4[nH]3)cc(=O)[nH]2)nc2ccccc12 2288288 BZICWXZEDPRCOA-UHFFFAOYSA-N 415.482 3.934 0 50 HHAA Cc1cc(NC(=O)c2ccc(-c3cccs3)nc2C)n(-c2ncnc3nc[nH]c23)n1 253425380 CUYLWQOZRXZSPK-UHFFFAOYSA-N 416.470 3.531 0 50 HHAA CCCNC(=O)CSc1nnc(SCCCc2nc3ccccc3[nH]2)s1 253430733 FSPJKPRDYZVDKF-UHFFFAOYSA-N 407.590 3.758 0 50 HHAA COC(=O)c1c(NC(=O)c2cnn3c(-c4ccco4)ccnc23)sc2c1CCCC2 13644562 DYZIMXMJGAINSS-UHFFFAOYSA-N 422.466 3.969 0 50 HHAA Cc1cc(C)nc(N2CCC[C@H](C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)C2)n1 223242688 AJNRRDLQPSGJPM-FXAWDEMLSA-N 406.534 3.700 0 50 HHAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@@H]21 222240589 GAUQJXGIBJFRRB-VDERGJSUSA-N 405.235 3.549 0 50 HHAA COc1ccccc1CNC(=O)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263616940 LGPXGUSCKMTWRZ-UHFFFAOYSA-N 416.477 3.546 0 50 HHAA COc1cccc(C(=O)N2CC[C@H]3[C@@H](CCCN3C(=O)[C@H](OC)c3ccccc3)C2)c1 43641772 OZHXSPSIXPSHET-ACIOBRDBSA-N 422.525 3.536 0 50 HHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)ccc1F 952984716 AFFSDQXNKFNFNJ-KJJMTIBFSA-N 421.516 3.815 0 50 HHAA O=C(O)C1=NO[C@@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 725240717 YKWVKEARKRRPIJ-QHCPKHFHSA-N 406.438 3.631 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)CC1 1128926 GGVDJWFECPLQNK-NYYWCZLTSA-N 402.491 3.898 0 50 HHAA COc1ccc(-n2ccnc2CN2C[C@H]3CNC[C@@]3(CCc3ccccc3)C2)cc1 1772813186 VCCXGZXOHVVEEC-BWKNWUBXSA-N 402.542 3.535 0 50 HHAA COc1cc(OC)c(CN2CCN(Cc3ccccc3)CC2)cc1Br 19536581 SBFHANNVEAYNQV-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4cc(F)ccc4F)C3)[nH]n2)cc1 169753676 ACVKNRNEDDMAJI-INIZCTEOSA-N 412.440 3.762 0 50 HHAA COC(=O)c1nc(NC(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)sc1C(C)C 1298859290 FCHITKODSUZNDJ-UHFFFAOYSA-N 423.441 3.689 0 50 HHAA CN(C)CCCc1nc(-c2ccc(N(C)C)cc2F)nn1Cc1ccc(F)c(F)c1 1875348389 PEJTZXMDIXZUNV-UHFFFAOYSA-N 417.479 3.971 0 50 HHAA O=C(COc1cccc(Oc2ccccn2)c1)N1CCn2c(nnc2C2CCCC2)C1 2325745353 CRTCVIUDAAOMRW-UHFFFAOYSA-N 419.485 3.544 0 50 HHAA CCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(O)c(OC)c1)Nc1ccccc1-2 705654 YLHZKFUMTVTUKM-SFHVURJKSA-N 412.471 3.877 0 50 HHAA Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)c2)cc1 786454 ULKHZJNGLDELRU-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1Cl 1113415 CRDBFOKLSDOFLW-UHFFFAOYSA-N 419.934 3.702 0 50 HHAA COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1 2078144 XZRNPIWAKUYWPT-UHFFFAOYSA-N 417.845 3.662 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cc3cc(OC)ccc3n2C)CC1 2356148415 VDWTYWNXICDXKP-UHFFFAOYSA-N 420.509 3.900 0 50 HHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)C)cc1 2816982 AUOLMRAFEUXCLI-FQEVSTJZSA-N 409.530 3.916 0 50 HHAA COc1cc(CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc(OC)c1OC 57530796 RIANJIXHGWTYPH-UHFFFAOYSA-N 419.909 3.716 0 50 HHAA Cc1c(CCC(=O)Nc2ccc(OCCN(C)C)cc2)c(=O)oc2c(C)c(O)ccc12 409413500 BIXJBHHVLJIQRI-UHFFFAOYSA-N 424.497 3.627 0 50 HHAA biogenic CC(C)Oc1cccc2c1c(NC(=O)Cc1cnccn1)nn2-c1ccc(F)cc1 72475937 NCCTZVDYOCHDFH-UHFFFAOYSA-N 405.433 3.923 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 437365998 ULMKYYXLGLSYRM-RBUKOAKNSA-N 406.935 3.656 0 50 HHAA O=C(c1ccc2ccccc2c1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528437 JYWGLAKQWPSULI-UHFFFAOYSA-N 401.514 3.583 0 50 HHAA CN(Cc1ccc(OCC(=O)N2CCCC2)cc1)Cc1ccc(-n2cccn2)cc1 1506408210 VWZADRBJNRHIOJ-UHFFFAOYSA-N 404.514 3.506 0 50 HHAA Cc1cc(-c2ccnc(-n3ncc(C(=O)NC[C@H]4CCCO4)c3C3CC3)n2)c(C)s1 12079034 LWLRLVSUCBXARD-MRXNPFEDSA-N 423.542 3.794 0 50 HHAA O=C(c1ccco1)N1CCC[C@H](COc2ccc(CN3CCSCC3)cc2)C1 12283187 ZRYYZRYBBUKQTH-IBGZPJMESA-N 400.544 3.760 0 50 HHAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)c2cccs2)C1 12303324 PNKYDTRBQODHIM-IBGZPJMESA-N 415.603 3.673 0 50 HHAA C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 12383200 KZEKOOLPBSZVKS-YFFDQQAGSA-N 409.485 3.614 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CC12CCN(C(=O)Cc1cccs1)CC2 12456362 JGVXESDFBLSNTH-HXUWFJFHSA-N 420.538 3.744 0 50 HHAA CC(C)c1cc(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)on1 12578246 ABDFPSDSKBZVKV-MRXNPFEDSA-N 403.910 3.549 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc(F)c(F)c4)C3)[nH]n2)cc1 169753944 CLHRRCMUMLPAHH-INIZCTEOSA-N 412.440 3.762 0 50 HHAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4cccc(-c5ccc(F)cc5)c4)[C@@H]2CC(=O)N13 1857713685 CVEDFEZLKNGQRR-IMSXRSKXSA-N 408.473 3.691 0 50 HHAA CCS(=O)(=O)Nc1ccccc1C1=NN(C(C)=O)[C@@H](c2ccc(F)cc2Cl)C1 408525561 BFFNSQDIXKRBPD-LJQANCHMSA-N 423.897 3.938 0 50 HHAA Cc1ccccc1C1(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCOCC1 439770064 PCSPMWVSYDJGHK-FQEVSTJZSA-N 407.558 3.780 0 50 HHAA Cc1cc(Sc2nccn2C)ccc1NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 1875255732 ZSEXFTLXWBRQHW-ZDUSSCGKSA-N 408.483 3.851 0 50 HHAA O=C(NCCC[C@@H]1CCC[C@@H]1O)NCc1ccc(Cn2cnc3ccccc32)cc1 1875263997 MQXLUGPATFAALI-REWPJTCUSA-N 406.530 3.825 0 50 HHAA COc1cc(C(=O)Nc2ccc(OC[C@@H]3C[N@]3CC(C)C)cc2)cc(OC)c1OC 1875385396 SDKAZASUIFCHEO-BVZFJXPGSA-N 414.502 3.684 0 50 HHAA CC(C)(C)CNC(=O)Nc1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 2325864376 NHGTWGMLWSIPQS-KRWDZBQOSA-N 418.538 3.593 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(Br)cc2)cc1 2325888953 WLVBJBNJGAPOSU-ROUUACIJSA-N 415.287 3.522 0 50 HHAA Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)n(-c2ccccc2)n1 869804 OGVKPTRBRZABCC-UHFFFAOYSA-N 403.408 3.914 0 50 HHAA Cc1ccccc1NC(=O)c1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1 990242 JJLRWEQQNWKGOH-UHFFFAOYSA-N 400.390 3.746 0 50 HHAA Brc1ccc(C2=Nn3c(COc4ccccc4)nnc3SC2)cc1 1105141 JMSVBJIETQCUDJ-UHFFFAOYSA-N 401.289 3.978 0 50 HHAA COc1ccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 1778260 CCIODYMBFQRCQV-CYBMUJFWSA-N 402.516 3.778 0 50 HHAA CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O 2541693 HBBVCKCCQCQCTJ-UHFFFAOYSA-N 402.443 3.859 0 50 HHAA biogenic,in-vivo CCCCC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1 2853111 CFPKZSYCTOZEKV-UHFFFAOYSA-N 412.442 3.641 0 50 HHAA Cc1cc(C)n(CCCNCc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)n1 12453302 WYVBGLPDGHQRHH-UHFFFAOYSA-N 419.504 3.577 0 50 HHAA CCN1CCC(C(=O)N(CC)C[C@H]2CCCN(CCc3cccc(F)c3)C2)CC1 12711562 XLWNDVDNCSQBDS-NRFANRHFSA-N 403.586 3.661 0 50 HHAA CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)cc1 20602110 ROIZGOCKUXFIMY-KRWDZBQOSA-N 402.248 3.539 0 50 HHAA COc1cccc(CN2CCN(Cc3ccccc3C(F)(F)F)C[C@@H]2CCO)c1 23358574 ULUVJZNPTKQODW-IBGZPJMESA-N 408.464 3.783 0 50 HHAA CCNc1cc(C)nc(N2CCN(C(=O)c3sc(-c4ccccc4)nc3C)CC2)n1 67602200 GVUMMLHLOHPZAZ-UHFFFAOYSA-N 422.558 3.611 0 50 HHAA Cc1c(C(=O)N2C[C@H]3CC[C@H]2C3)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 102713185 YUMVWVAPDSSVAA-GJZGRUSLSA-N 422.510 3.965 0 50 HHAA Cc1ccc(NC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)cc1 169760356 CWTLITQHBKTSKX-UHFFFAOYSA-N 412.493 3.984 0 50 HHAA CCn1c(-c2ccncc2)nnc1S(=O)(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 170617089 ZBIUBEFESGEASN-LBPRGKRZSA-N 410.421 3.914 0 50 HHAA Cc1n[nH]c(C)c1CCC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2n1C 334160440 DUSZMJMDKHCPOP-OAQYLSRUSA-N 401.514 3.946 0 50 HHAA CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)CCc3ccc4ccccc4c3)C2)ccn1 408516605 IRIIAZHGQQREDC-JOCHJYFZSA-N 417.509 3.597 0 50 HHAA O=C(O)c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c23)cc1C(F)(F)F 471988372 JLVGETPMGNQESD-UHFFFAOYSA-N 402.325 3.825 0 50 HHAA Fc1ccc(-c2noc([C@]3(C(F)(F)F)CCN(CCOCC(F)F)C3)n2)cc1 952894881 UPOFSIVXIHVMNB-INIZCTEOSA-N 409.330 3.663 0 50 HHAA OC[C@]12CNC[C@H]1CN(Cc1ccc3c(c1)C1c4ccccc4C3c3ccccc31)C2 1772708484 HOGKWTHONYKFAD-OVZJSWOSSA-N 408.545 3.688 0 50 HHAA O=C(NCc1cc(C2CC2)on1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857724460 FPPTVCIMSWZHEI-CYBMUJFWSA-N 400.866 3.879 0 50 HHAA CC(C)Oc1cncc(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2C2CCC2)c1 2325794178 TYQHOWPNPBUXCZ-VQTJNVASSA-N 401.551 3.519 0 50 HHAA COC(=O)c1ccccc1CNC(=O)CN(C)[C@H](c1ccccc1)c1ccc(F)cc1 2332239406 QHRCUCYZNUOQPH-XMMPIXPASA-N 420.484 3.950 0 50 HHAA O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(C(=O)O)c1 799955 POJPHDRZUAGZKQ-AWEZNQCLSA-N 410.373 3.845 0 50 HHAA CNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 1074571 QUYDXJHETBSWEM-UHFFFAOYSA-N 410.495 3.729 0 50 HHAA CCCOc1c(CN2CCC[C@]23CCCN(CCOC)C3=O)cc(Cl)cc1OC 2356170006 QKILAUGKNNLPDY-QFIPXVFZSA-N 424.969 3.741 0 50 HHAA CCOc1ccccc1C(=O)Oc1cc(C)cc2oc(=O)c(CC(=O)OC)c(C)c12 4820499 NMRXHNUQHHKEOS-UHFFFAOYSA-N 410.422 3.743 0 50 HHAA COc1ccccc1C(=O)Nc1ccccc1OCc1cc(=O)n2cc(C)sc2n1 8603781 UURUFXDUDMGOKS-UHFFFAOYSA-N 421.478 3.904 0 50 HHAA O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(Br)o1 10313146 AYGBCLRPIXHCRC-UHFFFAOYSA-N 400.232 3.619 0 50 HHAA Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1Cl 10313158 BDEMZQHFVNEHQI-UHFFFAOYSA-N 409.873 3.991 0 50 HHAA COc1ccccc1CCNc1nc(CN2CCN(C(C)C)CC2)nc2ccccc12 23338977 QQJBVHRWAMHUIE-UHFFFAOYSA-N 419.573 3.819 0 50 HHAA Nc1nc(Cl)cc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 24056665 QTJFNRWACKYSAP-UHFFFAOYSA-N 415.875 3.902 0 50 HHAA O[C@H](COc1ccc(Cl)cc1CNCCc1ccccn1)CN1CCCCCC1 23338571 CPNVNDZHIZXZEC-QFIPXVFZSA-N 417.981 3.683 0 50 HHAA CCOc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1Br 170615042 JQOVATPJQHXSPH-UHFFFAOYSA-N 404.713 3.980 0 50 HHAA CCN(CCCNC(=O)N[C@H](c1ccc(F)cc1)c1cnn(C)c1)c1ccccc1 476729924 KENQTARWBBUEQG-JOCHJYFZSA-N 409.509 3.864 0 50 HHAA COC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 220952468 JNCSJWZLQJCPDP-OAQYLSRUSA-N 421.424 3.978 0 50 HHAA O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)[C@H]1CC(=O)N(Cc2ccco2)C1 252500966 UAJXSCDUYUFGRW-SCLBCKFNSA-N 411.889 3.957 0 50 HHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NC[C@@H]1CCCN(Cc2ccco2)C1 952985473 HLRZYKZKBHFSGU-HNNXBMFYSA-N 403.910 3.924 0 50 HHAA CC(C)(C)c1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)nn1 170630891 ZUYRCPGUMGBSSZ-CQSZACIVSA-N 404.923 3.581 0 50 HHAA C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc(Oc2cccc3cccnc23)cc1 170613316 YPARUKUJYAARJN-INIZCTEOSA-N 408.483 3.591 0 50 HHAA Cc1nc([C@H](C)NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)c(C)s1 1506428901 ZETHGENLMBMUOP-ZETCQYMHSA-N 420.438 3.801 0 50 HHAA Cc1cccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 5012908 ROLYGHOFXWZLFT-SJORKVTESA-N 411.310 3.914 0 50 HHAA O=C(CCCc1ccccc1)Nc1cccc(N2CCC(N[C@@H]3CCOC3)CC2)c1 11786860 LUBYUHVTMJTOFU-HSZRJFAPSA-N 407.558 3.995 0 50 HHAA COc1ccc(OCc2cc(C(=O)N[C@@H](C)Cc3cccnc3)no2)c(Cl)c1 11843875 BDXOFNBCGDBFTQ-ZDUSSCGKSA-N 401.850 3.672 0 50 HHAA COCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)o1 11952530 HOANJVGZKVWUGB-INIZCTEOSA-N 402.466 3.514 0 50 HHAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCCC3CCCC3)cc2)CC1 12385328 HPTWYUDUAIRGAN-UHFFFAOYSA-N 416.562 3.793 0 50 HHAA Clc1ccc(-c2noc(CN3CCN(c4ncnc5ccccc45)CC3)n2)cc1 12594794 UXWZXFAFHFQRLL-UHFFFAOYSA-N 406.877 3.655 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCCc1cccs1)C2 14743793 SXMDXIDUILJZGW-QGZVFWFLSA-N 400.592 3.670 0 50 HHAA O=C(C1=CCCC1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 15078768 QHRIGTWADZOAQX-HXUWFJFHSA-N 407.480 3.929 0 50 HHAA Cc1c(CN2CCC[C@H](N3CCc4ccccc4C3)C2)c(=O)n(-c2ccccc2)n1C 19229005 BUDJSXQMAIQOOF-DEOSSOPVSA-N 416.569 3.507 0 50 HHAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2nccs2)CC1 19774289 QJXRQUHAKFJPMI-UHFFFAOYSA-N 412.519 3.829 0 50 HHAA COc1ccc(CN2CCN(Cc3ccccc3Br)CC2)c(OC)c1 19832124 FUUTVPWNGJUPQY-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA Cc1ccc(-c2cc(N3CCCN(C(=O)c4ccc5c(c4)OCO5)CC3)[nH]n2)cc1C 169749841 DBZAAGMAINANRM-UHFFFAOYSA-N 418.497 3.775 0 50 HHAA O=C(Nc1cccc(F)c1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760263 OWGNJLVCFYQDSH-UHFFFAOYSA-N 416.456 3.815 0 50 HHAA O=C1NC(=O)[C@](CCc2ccccc2)(C2CCN(Cc3cccc(Cl)c3)CC2)N1 12213182 RHLCGQAPFPPPAE-QHCPKHFHSA-N 411.933 3.763 0 50 HHAA O=C(N[C@@H]1COc2c(F)cc(F)cc2C1)N[C@@H]1c2ccccc2CC12CCOCC2 1263715868 KVSTYVKBYIYLGB-LAUBAEHRSA-N 414.452 3.662 0 50 HHAA COc1ccc([C@@H](NC(=O)NCc2nc(-c3ccco3)n[nH]2)c2ccc(C)cc2)cc1 1875256089 IXERRPZDVNSCRR-NRFANRHFSA-N 417.469 3.971 0 50 HHAA Cn1c(C2CC2)c(NC(=O)[C@@H](c2ccccc2)N2CCCC2)c(=O)n1-c1ccccc1 2325828313 DIOGBJBOYOARDF-HSZRJFAPSA-N 416.525 3.829 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc(OC)c3)sc2c1 950373 ITRSDDBQNHKXOU-UHFFFAOYSA-N 419.528 3.588 0 50 HHAA O=C(COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1)Nc1ccccc1 1163826 IBWFHLOHLNBXBH-RCCKNPSSSA-N 413.433 3.801 0 50 HHAA COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1OC 2255077 OOGGVJQGLZTVMP-FQEVSTJZSA-N 414.417 3.955 0 50 HHAA Cc1cc2ncn(C[C@H](O)COc3ccc(I)cc3)c2cc1C 2872962 IRTFBEOXIAOMAK-HNNXBMFYSA-N 422.266 3.698 0 50 HHAA Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 5028319 NZNHBIVFPUOARQ-UHFFFAOYSA-N 403.229 3.614 0 50 HHAA O=S(=O)(c1cc2ccccc2s1)N1CCC[C@](CO)(Cc2ccccc2)C1 11813076 NYNVEKYUKSJREI-NRFANRHFSA-N 401.553 3.907 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(Cc2c(C)nn(C)c2Cl)C1 11999601 CCTKFPDZSNJPGR-OAQYLSRUSA-N 407.917 3.909 0 50 HHAA Cc1ccc(OCC(=O)NC[C@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)cc1 12051613 LLSZKZCFXSIHLC-LJQANCHMSA-N 409.873 3.604 0 50 HHAA Cc1csc([C@@H](C)NC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n1 12201166 ICGIQQMNJGIJIM-OAHLLOKOSA-N 413.543 3.722 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 12457426 UFZRISHEAVDIPJ-FQEVSTJZSA-N 402.450 3.847 0 50 HHAA O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCCN(Cc2ccccc2F)C1 12747282 IGQDNUOGOTZWET-IBGZPJMESA-N 408.477 3.589 0 50 HHAA COC(=O)CCC(=O)N(CC1CCN(CCc2ccccc2C)CC1)C1CCCC1 14951311 RZVIGFZDOZYRRD-UHFFFAOYSA-N 414.590 3.974 0 50 HHAA Cc1cccc2c(N3CCCC3)nc(CNS(=O)(=O)c3ccc(Cl)s3)nc12 14958046 OQWJNBPQCODWMS-UHFFFAOYSA-N 422.963 3.732 0 50 HHAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)C2CCOCC2)C3)s1 14988468 LUSPDXJBOGPOLM-MRXNPFEDSA-N 403.475 3.603 0 50 HHAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1 17082532 HARSQXNEJZAUNS-GOSISDBHSA-N 402.560 3.715 0 50 HHAA COc1cc(OC)c(NC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1Cl 20095802 YLEORMUQNQKMNT-UHFFFAOYSA-N 413.861 3.528 0 50 HHAA COc1ccccc1N1CCN([C@H]2CCCN(Cc3cn(C)c4ccccc34)C2)CC1 23374867 JDAMHLWBJLUCAM-QFIPXVFZSA-N 418.585 3.974 0 50 HHAA CC[C@H]1CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2cc(OC)ccc2O1 55343262 BHTFDWAMVUJYQX-FQEVSTJZSA-N 407.514 3.666 0 50 HHAA Cc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1C 65363437 XDAJFNXTORAMSH-SFHVURJKSA-N 402.502 3.662 0 50 HHAA Cc1ccccc1CN1CCC(C(=O)N(C)Cc2nc(-c3cccs3)no2)CC1 67613756 SAKNRMOBJGPYMA-UHFFFAOYSA-N 410.543 3.977 0 50 HHAA CN(Cc1cc[nH]n1)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77342161 ZDQJJAXAUAXDEU-UHFFFAOYSA-N 407.518 3.714 0 50 HHAA COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(OC)c(OC)c3)n2)cc1 169754612 MNNYWLVWDPTIRA-KRWDZBQOSA-N 409.442 3.740 0 50 HHAA COc1ccc(OS(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)cc1 225703342 UNOSOCSKSGXCME-UHFFFAOYSA-N 417.668 3.527 0 50 HHAA Cc1ccoc1C(=O)NCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 237765004 FYDAKLRVECKQGX-UHFFFAOYSA-N 417.307 3.650 0 50 HHAA COc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239164773 MWIXYJCPLHLNDZ-NGRIMYGSSA-N 414.461 3.505 0 50 HHAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CC(=O)N[C@H](C)c1cccc3ccccc13)C2=O 248382669 XSMZFHHCKSOTGQ-YGFZKVPJSA-N 407.514 3.764 0 50 HHAA CC(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc2ccccc2n1C 252510761 ZPZUWPNHNBNXAM-PZJWPPBQSA-N 418.541 3.825 0 50 HHAA C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(N2CCC2=O)cc1 328589315 HPCNFQFMDKJEET-LLVKDONJSA-N 407.239 3.731 0 50 HHAA CCCn1ccc2cc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)ccc21 499173817 WPGURSILXSXYSR-UHFFFAOYSA-N 403.895 3.857 0 50 HHAA C[C@H]1C[C@@H](C)CN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2c(F)cccc2Cl)C1 822355304 ZVLLNAWLWXILDJ-TUAOUCFPSA-N 404.873 3.931 0 50 HHAA Cc1nc2ccccn2c1CN1CCC(CNC(=O)[C@@H]2CCc3ccccc32)CC1 827764146 UHGPAGAHMIVQBY-JOCHJYFZSA-N 402.542 3.701 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)CC1 2325889448 QZMMCCBGCKZTAL-QGZVFWFLSA-N 421.335 3.546 0 50 HHAA CCc1nc([C@H]2OCC(=O)N(C3CC3)[C@@H]2c2ccc(OC)cc2)n(CC(C)(C)C)n1 2356143187 XWBCGPPOURIGBX-RTWAWAEBSA-N 412.534 3.699 0 50 HHAA O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 1052122 MOXJWAZHLVCGAB-CYBMUJFWSA-N 413.326 3.672 0 50 HHAA CCOc1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 1138158 HEOUOGWUKQWGOM-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Br)c1 2886956 ZTAXCELXTNJVAJ-UHFFFAOYSA-N 417.332 3.899 0 50 HHAA COc1ccc(-c2noc(CSc3nnc(C)n3-c3ccccc3)n2)cc1OC 4759213 PLMKHFRTYBNXNN-UHFFFAOYSA-N 409.471 3.935 0 50 HHAA O=C1c2ccccc2C(=O)N1CCCc1nc(-c2cccc(Br)c2)no1 4858469 CNFAGSIUQUOWHP-UHFFFAOYSA-N 412.243 3.728 0 50 HHAA CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccnc4)cc3)CC2)cc1 6715847 NOHBEGWVQBLRHM-UHFFFAOYSA-N 414.509 3.859 0 50 HHAA O=C(CCc1nnc(CCCCc2ccccc2)o1)NCc1ccc2nsnc2c1 12315398 JFMRXTSHUNXCIL-UHFFFAOYSA-N 421.526 3.889 0 50 HHAA O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1cc3ccccc3[nH]1)CC2 14998991 OJBVBQTVXWACLI-FQEVSTJZSA-N 416.525 3.554 0 50 HHAA COCC(=O)Nc1cc(C(=O)NC2CCCC2)cc2ncn(CCc3ccccc3)c12 15001104 XKHUDRVKEUAKSP-UHFFFAOYSA-N 420.513 3.536 0 50 HHAA Cc1ccc(CNC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CC[C@@H](C)C3)cc1 17090018 YKWZASSGWLHIPS-CQSZACIVSA-N 414.527 3.915 0 50 HHAA O=C(Cc1ccccc1)Nc1ccnn1C1CCN(C(=O)Nc2ccccc2)CC1 19143548 PDKYZNSTYRYPEY-UHFFFAOYSA-N 403.486 3.933 0 50 HHAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2nccs2)CC1 23128712 AYBNZKMRNGXLET-UHFFFAOYSA-N 411.531 3.584 0 50 HHAA Cc1ccccc1-c1cccc(CN2CCN(C3CCN(C)CC3)[C@H](CCO)C2)c1 39455132 IPXJAGURLCJLLB-RUZDIDTESA-N 407.602 3.625 0 50 HHAA Cc1cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc(N2CCCCC2)n1 65362248 NVKAHELXZVYQEW-UHFFFAOYSA-N 412.513 3.577 0 50 HHAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nc2c(s1)CCCCC2 71280144 GPHLONOCLZASFU-UHFFFAOYSA-N 414.918 3.928 0 50 HHAA CC(C)Cn1c(CC2(CC(=O)N3[C@H]4CC[C@@H]3CNC4)CCCC2)nc2cccnc21 77485866 MMLUZZPXCFKKRR-KDURUIRLSA-N 409.578 3.543 0 50 HHAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 95504564 VQZFLEKRCNEFNP-KRWDZBQOSA-N 402.491 3.635 0 50 HHAA CCCOc1ccc(CNc2ccc(C(=O)N[C@@H](C)CO)cc2)c(OCCC)c1 225642471 MSUSEXBGHXDJSN-KRWDZBQOSA-N 400.519 3.987 0 50 HHAA O=C(Cn1ccc2ccccc21)NCc1noc(-c2cccc(Br)c2)n1 225740637 HJBUIMKHHNVYBB-UHFFFAOYSA-N 411.259 3.770 0 50 HHAA CC(C)C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)Nc1cc[nH]n1 241383383 MUYOYYVOUPNUBD-YDHLFZDLSA-N 409.317 3.990 0 50 HHAA O=C(Oc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccccc1F 245311721 QOUJYOJZBOKUNZ-OVXKCMKSSA-N 403.409 3.602 0 50 HHAA CC(C)C[C@@H](NC(=O)CCCCCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 248254554 KFCQRBUMYSVSQX-LJQANCHMSA-N 422.533 3.547 0 50 HHAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](OC(=O)c2ccc3c(c2)NC(=O)CS3)CC1 252477110 IIYZDEMMXWLXMU-HDJSIYSDSA-N 406.504 3.724 0 50 HHAA C[C@@H]1[C@H](OC(=O)Cn2cnc3ccc(Br)cc3c2=O)C[C@H]2C[C@H]1C2(C)C 252679868 SHFPADRHAQBYHI-SAUZDDAKSA-N 419.319 3.773 0 50 HHAA Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@H]3CNCC[C@@H]3C)cc12 427586290 CWGFCDROYMSBTK-SJCJKPOMSA-N 402.951 3.836 0 50 HHAA O=C(N[C@H]1CCOc2c1ccc(Cl)c2Cl)c1ccnc(NC(=O)C2CC2)c1 803195152 CYZLGEZEGRTIDP-AWEZNQCLSA-N 406.269 3.991 0 50 HHAA COc1ccc(Oc2ccc(NC(=O)[C@H](c3cccnc3)N3CCOCC3)cc2)cc1 824684118 TZMAVMJNGKYVRO-QHCPKHFHSA-N 419.481 3.895 0 50 HHAA O=C(CCc1cc(Cl)no1)NC[C@@H](CN1Cc2ccccc2C1=O)c1ccccc1 1775942521 XOORYPFDOXXAIK-SFHVURJKSA-N 423.900 3.817 0 50 HHAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cc(-c3ccccc3)nn1-c1ccccc1)C2 1857688297 BANNFICPFFAHAU-XMMPIXPASA-N 416.481 3.596 0 50 HHAA Cn1c(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)cc2ccccc21 1857715019 XMSYELPVGURONP-ZEQRLZLVSA-N 403.526 3.856 0 50 HHAA O=C(CCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1)N1CCOc2ccccc21 1875327233 QKYWTSJCLATKBQ-FQEVSTJZSA-N 418.497 3.822 0 50 HHAA Brc1c[nH]c(=NCc2cc(-c3cccnc3)n[nH]2)cc1OC1CCCC1 2325839247 MNLSGLQHBYKEGK-UHFFFAOYSA-N 414.307 3.985 0 50 HHAA CN(C)C(=O)c1ccc(CN2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)cc1 2356169440 BSIRHFINSZIVSO-RUZDIDTESA-N 405.542 3.546 0 50 HHAA O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc2c(c1)OCCO2 801899 VKJQSKYBNZRRAY-UHFFFAOYSA-N 424.507 3.960 0 50 HHAA Cc1ccc(CNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 1190132 XVMIGAQTKSWLRK-UHFFFAOYSA-N 424.522 3.870 0 50 HHAA COc1ccc(CN2C(=O)c3ccc(C(=O)OCc4ccccc4)cc3C2=O)cc1 2871629 LTBPJTXFYTWPPX-UHFFFAOYSA-N 401.418 3.848 0 50 HHAA COc1ncccc1C(=O)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1 11817007 HRLRIEHBDOLNGO-UHFFFAOYSA-N 408.420 3.566 0 50 HHAA O=C(Cc1c[nH]c2ccccc12)N1CCOc2ccc([C@H](O)c3ccccn3)cc2C1 12097142 PMVQQDUYSUPWCF-VWLOTQADSA-N 413.477 3.608 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CN[C@H](C)Cn2cncn2)cc1F 12298250 BXLBMGRPVZWOMK-QGZVFWFLSA-N 420.492 3.765 0 50 HHAA O=C(N[C@@H]1CCCN(CCCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 12755061 VAZLHZAFMINZAC-HSZRJFAPSA-N 409.574 3.705 0 50 HHAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCc1cccc(Cl)c1)CC2 14749967 LDYHQPQQLKBZQH-HXUWFJFHSA-N 422.960 3.934 0 50 HHAA CCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C(C)C 15071643 QBLGEODXDQDFCM-UHFFFAOYSA-N 424.524 3.663 0 50 HHAA COc1cc(-c2n[nH]cc2CN2CCN(C3CCCCC3)CC2)cc(OC)c1OC 20907236 DNJXGGJHGZVULR-UHFFFAOYSA-N 414.550 3.553 0 50 HHAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 21795196 MVSYKVGHHLOOOC-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA CC(=O)Nc1ccc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc1 23282443 YOYDHJZBGIBPGU-UHFFFAOYSA-N 403.320 3.891 0 50 HHAA COc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)c(I)c1 170614748 XMFHKTLBWALLRK-UHFFFAOYSA-N 419.222 3.738 0 50 HHAA Cc1nn(C)c(C)c1C(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCCC2 170617622 QTFBNMZPDKDISV-UHFFFAOYSA-N 417.531 3.754 0 50 HHAA CCN(C[C@@H]1CCCO1)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426548725 CWPMERVVFZOCIR-INIZCTEOSA-N 403.548 3.552 0 50 HHAA O=C(Nc1n[nH]c2cc(F)ccc12)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 476794434 NEOASRRFLGEVLG-UHFFFAOYSA-N 414.396 3.751 0 50 HHAA Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2sc(C(C)(C)C)nc2C)cc1 497846135 GDYLBSYOKNRMCK-GOSISDBHSA-N 401.576 3.861 0 50 HHAA CNC(=O)C[C@@H]1C(=O)N(Cc2ccc(-c3ccccc3)cc2)C2=CCCC[C@]21C(=O)O 521836461 DDRFEPKAGUAAEF-CJFMBICVSA-N 418.493 3.587 0 50 HHAA CC(C)c1ccc(N2C[C@H](C(=O)N3CCC(OCc4ccccn4)CC3)CC2=O)cc1 827696737 SMGHUPQYSRXBRD-HXUWFJFHSA-N 421.541 3.766 0 50 HHAA Cc1cc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)ccc1N1CCOCC1 952987637 FWYCAQIIRSJWHF-QHCPKHFHSA-N 424.541 3.532 0 50 HHAA Cc1cc(C)n(-c2cccc(CN3C[C@@H]4CC[C@H](C3)N(Cc3cscn3)C4=O)c2)n1 1529185710 PAIXSNOTVXBHLD-SIKLNZKXSA-N 421.570 3.569 0 50 HHAA Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C 622551 DZTQIVSLOUQDBL-UHFFFAOYSA-N 417.512 3.578 0 50 HHAA COc1ccc(-c2cc(OC)c(OC)cc2I)cc1OC 641759 FGXZRBISSVDBMZ-UHFFFAOYSA-N 400.212 3.993 0 50 HHAA CCOC(=O)c1ccccc1NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 950777 SRZOYEPOVFCAJM-INIZCTEOSA-N 404.875 3.958 0 50 HHAA CCOc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1 2064816 VODSYJPJUKHOOD-UHFFFAOYSA-N 422.572 3.527 0 50 HHAA COc1ccccc1OCc1ccc(C(=O)Nc2ncn(Cc3ccccc3)n2)o1 2796050 NQHKFLHKWOTVQJ-UHFFFAOYSA-N 404.426 3.759 0 50 HHAA Cc1ccc(C(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1C 2810324 UEGYLIZGQSLUBQ-FQEVSTJZSA-N 407.466 3.740 0 50 HHAA CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 2841066 SOINJUJAVRHBIO-UHFFFAOYSA-N 424.803 3.757 0 50 HHAA CCOC(=O)c1c(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)sc(C)c1C 2877586 LGCDJGPCKBGKPA-UHFFFAOYSA-N 422.890 3.559 0 50 HHAA Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 4412917 DNVBLEZZJSQJBT-UHFFFAOYSA-N 419.481 3.568 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCN2CCCC2=O)C1 11841780 XWOQIVPUXDYFMR-HXUWFJFHSA-N 420.509 3.913 0 50 HHAA CN(C[C@@H]1CCCCN1C)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 11874515 FYSREIDJKNPDEC-KRWDZBQOSA-N 424.467 3.555 0 50 HHAA Cc1c([C@H](C)NCc2ccc(N3CCNC3=O)cc2)cnn1-c1ccc(F)cc1F 12710364 XMYNVEZUZWBZJH-AWEZNQCLSA-N 411.456 3.839 0 50 HHAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ccc(Br)cc1 12881674 UCTWASHLGDNDKW-UHFFFAOYSA-N 418.678 3.965 0 50 HHAA CCn1cc(-c2csc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)n2)c(C)n1 20607496 YYFJLBOMSACDRV-UHFFFAOYSA-N 424.452 3.678 0 50 HHAA CCN(CC)Cc1cc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)ccc1OC 39500579 VKLIRTDFXHTEOX-XMMPIXPASA-N 417.638 3.738 0 50 HHAA Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 226605058 LCUADYVDJNPTTC-NCOADZHNSA-N 420.296 3.522 0 50 HHAA COCCn1cc([C@H]2[C@H](CNCc3c(C)cccc3C)CC(=O)N2C(C)(C)C)cn1 328603943 HOIWTLRPRPQEJE-WMZHIEFXSA-N 412.578 3.624 0 50 HHAA O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 476298606 VUIAPNJNWAQVSB-FQEVSTJZSA-N 419.481 3.510 0 50 HHAA Cc1cccc(NC(=O)CCNCc2ccc(OCC(=O)N3CCCCC3)cc2)c1 952967461 KQXVVNLNBKMSDT-UHFFFAOYSA-N 409.530 3.505 0 50 HHAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNc2cc(C(=O)N3CCCCC3)ccn2)n1 1704336682 JMGFPEXMGSOSPS-AWEZNQCLSA-N 409.456 3.980 0 50 HHAA COc1ccc(COC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)cc1Cl 2325710176 JOSUSUNXJANLJY-UHFFFAOYSA-N 413.861 3.931 0 50 HHAA Cc1nc(N2CCC[C@@]3(CCCCO3)C2)cc(N2CCC[C@@]3(CCCCO3)C2)n1 2325749605 YMTLEGPBDLCSJS-GOTSBHOMSA-N 400.567 3.864 0 50 HHAA Cc1cnn(C2CCN(C(=O)c3snc(C)c3NC(=O)OC(C)(C)C)CC2)c1 2325820213 GTTGUNBJSYAKED-UHFFFAOYSA-N 405.524 3.781 0 50 HHAA O=C(O)[C@H](Cc1ccc(Br)cc1F)NC(=O)C12CC3CC(CC(C3)C1)C2 2325839473 UZCIHYYCUOVKIL-DEMYODCQSA-N 424.310 3.917 0 50 HHAA O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)NCc1ccco1 779409 FLJVRVJZRDGWNC-UHFFFAOYSA-N 419.506 3.641 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c1 862454 QSUIKFHFKINVJB-SFHVURJKSA-N 417.918 3.789 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 1212583 LVEVTVCLQBDHBX-VIFPVBQESA-N 414.771 3.570 0 50 HHAA CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(I)cc1 2875384 PLSLOMQCZSDESH-UHFFFAOYSA-N 422.266 3.929 0 50 HHAA CCOC(=O)C[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1Cl 4653567 AGLBFUSRNMZFLW-MRXNPFEDSA-N 421.877 3.790 0 50 HHAA O=C1CS[C@@H](c2ccc3c(c2)OCO3)c2c(O)nn(C3CCCCCC3)c2N1 5763989 LFUROAGGFLAUGN-SFHVURJKSA-N 401.488 3.987 0 50 HHAA CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@H](CNC(=O)CN(C)C)C4)s1 11963916 WKSGMSTYHXWBLH-KRWDZBQOSA-N 408.523 3.752 0 50 HHAA COc1ccc(CNCCc2ccc(C)cc2)cc1OC[C@@H](O)CN1CCCCC1 11998423 CKUCZFQGCUHIKI-QHCPKHFHSA-N 412.574 3.562 0 50 HHAA COC(=O)CCC(=O)NC[C@H]1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1 12034795 IEQGKIMHDXAVQO-CQSZACIVSA-N 421.902 3.644 0 50 HHAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)Cc1ccc2c(c1)OCO2 12385459 RZDSGTXXBIUPLW-UHFFFAOYSA-N 412.505 3.510 0 50 HHAA O=C(NCC(F)(F)F)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 14964511 GIZDHLUVTBLROW-UHFFFAOYSA-N 404.436 3.527 0 50 HHAA CN1C(=O)C[C@@](CC(=O)N2CCC[C@H](c3ccccc3)CC2)(c2cccc(F)c2)C1=O 14970311 VSDXOMZBVUPCIW-UQBPGWFLSA-N 422.500 3.639 0 50 HHAA O=C(c1cn(Cc2cccc3ccccc23)nn1)N1CCCN(C2CCCCC2)CC1 15078219 XYNBVQPVPIWJAF-UHFFFAOYSA-N 417.557 3.960 0 50 HHAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cc(Cl)cc(Cl)c1OC 19300840 HLGBTZQNTUSGKQ-INIZCTEOSA-N 414.285 3.973 0 50 HHAA CC(C)c1ccc(N2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 40428082 OQDDZKJLDUIAKO-QFIPXVFZSA-N 419.569 3.944 0 50 HHAA O=C(/C=C/c1ccncc1)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55054470 BBXYBEHOABOWPP-XYXUZSOXSA-N 410.949 3.561 0 50 HHAA CCOc1ccccc1N1CCN(CC(=O)Nc2cc(Cl)ccc2OC)CC1 55060388 RNSDBOAOAHAEOS-UHFFFAOYSA-N 403.910 3.508 0 50 HHAA COc1cc(OC)cc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)no2)c1 169769413 KACDLRNJPZIAAF-IBGZPJMESA-N 419.441 3.592 0 50 HHAA CC(C)(C)c1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc1 169779689 ZRNRKUQGKOBEKB-UHFFFAOYSA-N 404.514 3.878 0 50 HHAA CCN(CC)c1nc2sc(C(=O)N3CCNC(=O)c4ccccc43)cc2s1 438940509 ITBYTXSFAPWINM-UHFFFAOYSA-N 400.529 3.594 0 50 HHAA Cc1cc([C@H](NC(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)C2CC2)ccc1F 479921475 QCYDDHZJMUBBHF-YCRPNKLZSA-N 408.477 3.683 0 50 HHAA Cc1nn(CC(=O)NCC[C@H](c2ccccc2)c2ccco2)c(=O)c2ccccc12 670437269 DMMGEUYFUYOCJP-HXUWFJFHSA-N 401.466 3.636 0 50 HHAA COc1cc(C)c(CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C2CCCCC2)cc1C 952860368 NLKIKODIDICEPM-SFHVURJKSA-N 401.551 3.764 0 50 HHAA C[C@H]1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1 1772616181 HGBLIBDRBSWLRN-IBGZPJMESA-N 419.573 3.761 0 50 HHAA COCc1n[nH]c(NC(=O)c2ccc(CN3CCCC3)o2)c1-c1ccc(OC)cc1 2100473424 LQKVDQDWFICGSM-UHFFFAOYSA-N 410.474 3.673 0 50 HHAA O=S(=O)(c1c(O)cc(Cl)cc1Cl)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 2325874424 MGOHFIHKFMXBJA-MRXNPFEDSA-N 420.289 3.725 0 50 HHAA CCSc1nnc2c(n1)O[C@@H](c1ccc3c(c1)OCO3)N(C(C)=O)c1ccccc1-2 795570 IXYPGSDEQUHHAR-FQEVSTJZSA-N 422.466 3.823 0 50 HHAA O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)NCc1ccccc1 877905 DXPWKYWIHJGXGM-UHFFFAOYSA-N 415.522 3.797 0 50 HHAA COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 893783 IJXJQFYBRLBEDS-UHFFFAOYSA-N 416.543 3.602 0 50 HHAA COc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OC[C@H]4CCCO4)c3C)C2)cc1OC 1070374 VQMRMSKFTNTPFH-HZPDHXFCSA-N 413.470 3.589 0 50 HHAA COc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 1204618 UKMPCJYCKHLJJC-UHFFFAOYSA-N 410.495 3.914 0 50 HHAA Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1 2952626 QOJYHVNMAJJEGX-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA C[C@@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1 3004885 WOUPSKHTIXFKFF-GOSISDBHSA-N 400.544 3.887 0 50 HHAA COc1cccc2cc(C(=O)CS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)oc12 4484029 ZKJGNNCKHCJWHM-UHFFFAOYSA-N 414.479 3.756 0 50 HHAA CCOc1cc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)ccc1O 6595538 PDAZFXFBRWBLOP-UHFFFAOYSA-N 402.922 3.973 0 50 HHAA COc1ccccc1CC(=O)Nc1sc(C)c(C)c1C(=O)NCc1cccnc1 6715768 WDMXFEUSTNQJMQ-UHFFFAOYSA-N 409.511 3.880 0 50 HHAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CCc4cn[nH]c4)C3)C2=O)cc1 11932667 HRMRVLGDUGYZJS-DEOSSOPVSA-N 408.546 3.507 0 50 HHAA Cc1nc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccccc4F)CC3)O2)cs1 11997285 IQZXBHZNNPIATC-KRWDZBQOSA-N 403.523 3.534 0 50 HHAA COc1ccc(-n2cc(CNC[C@@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 12586104 NYFVZETXZOTSHL-LJQANCHMSA-N 413.905 3.706 0 50 HHAA O=C(CC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)NCc1ccccc1F 13636655 PONQJXXFDOLPEL-GOSISDBHSA-N 412.505 3.906 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccncc1)C[C@H](NCc1cccc(F)c1)CC3 20363345 SSUQNOHRNJOASY-GOSISDBHSA-N 420.513 3.688 0 50 HHAA Fc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc5nsnc5c4)C3)CC2)cc1 22912922 VNEUDZZNNUUXDR-HXUWFJFHSA-N 411.550 3.617 0 50 HHAA Brc1ccc(I)cc1I 115299619 ZHSGEFXBMWDDQM-UHFFFAOYSA-N 408.802 3.658 0 50 HHAA CCOc1cccc(-c2noc(-c3nnn4c3CO[C@H](c3cccc(OC)c3)C4)n2)c1 169758462 RRFJKOKDJBVZKN-IBGZPJMESA-N 419.441 3.674 0 50 HHAA CCOc1ccccc1C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 169772434 HEQLFRVJGBQYAE-UHFFFAOYSA-N 408.424 3.601 0 50 HHAA COc1ccc([C@@H](NCCn2ccnc2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 170606801 LCQZLOFGCQDHQS-VQTJNVASSA-N 400.523 3.622 0 50 HHAA CC(C)(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccsc1 170618381 RWMYHVGWKDLEQD-KRWDZBQOSA-N 405.545 3.843 0 50 HHAA Cn1c(C(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc(Cl)c1Cl 170629482 DAKUBPIMGBPYJW-SNVBAGLBSA-N 404.244 3.942 0 50 HHAA N[C@H](CNC(=O)CCCCc1ccc(I)cc1)c1ccccc1 170676905 QMDHWGAPJDNHPF-GOSISDBHSA-N 422.310 3.820 0 50 HHAA CC(C)(C)c1noc(CCC(=O)N[C@H]2CCOc3c(Br)cccc32)n1 225709694 QYHGQYNYDJYRKG-ZDUSSCGKSA-N 408.296 3.702 0 50 HHAA O=C(Cc1csc(-n2cccc2)n1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 263585534 JTCLJYMUOBTSMU-SQXWHWBNSA-N 422.598 3.898 0 50 HHAA biogenic O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccccc1Cl)CC2 299756740 GBFSEERNJPEAEO-IBGZPJMESA-N 411.933 3.726 0 50 HHAA Cc1nc(CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)cs1 426387887 XAEVLZWWYBGFMO-UHFFFAOYSA-N 402.545 3.606 0 50 HHAA COC(=O)c1cc(S(=O)(=O)Nc2ccc3ccccc3n2)ccc1Br 729811552 QCSNXTKMXYKJPR-UHFFFAOYSA-N 421.272 3.585 0 50 HHAA CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccc3c(c2)CCC(=O)N3C)cn1 792187954 NGBZUXJWLPAQJV-DEOSSOPVSA-N 418.541 3.548 0 50 HHAA O=C(Nc1ccc(OC[C@@H]2CCCCO2)cc1)C1(N2CCOCC2)CCCCC1 827661380 VUQIQFQYYZMESG-NRFANRHFSA-N 402.535 3.608 0 50 HHAA CC[C@H]1CCc2nc(O)c(C(=O)Nc3cccc(CN4CCC(O)CC4)c3)cc2C1 1294101082 QGJYLPYDUORYOS-INIZCTEOSA-N 409.530 3.511 0 50 HHAA O=C(c1cccc(OC(F)(F)F)c1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529158421 CGASFDDJDKXFGS-UZLBHIALSA-N 416.399 3.809 0 50 HHAA CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1 623818 CSDGEIZSUNESQD-GOSISDBHSA-N 412.486 3.761 0 50 HHAA Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1 827214 WAHKBBXLCAKUJU-UHFFFAOYSA-N 400.544 3.948 0 50 HHAA Cc1ccc(Cn2ncc3c(N4CCN(CCc5ccccc5)CC4)ncnc32)cc1 1473028 VYLFKHSUZROYSZ-UHFFFAOYSA-N 412.541 3.548 0 50 HHAA CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccco3)C2)c1 4036097 ABDLXQVETCHKIO-MRXNPFEDSA-N 415.496 3.704 0 50 HHAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Br 5066789 PJCOUWQZPUCSPL-KRWDZBQOSA-N 416.275 3.724 0 50 HHAA CCOc1cccc2cc(C(=O)N3CCN(c4ccc(CC)cc4)CC3)c(=O)oc12 6703746 VADSSZJMVBVUMU-UHFFFAOYSA-N 406.482 3.717 0 50 HHAA COc1cc(OC)c(NC(=O)NCc2ccc3c(c2)CCN3C(C)=O)cc1Cl 8611581 HXSKOUIWXMMVSB-UHFFFAOYSA-N 403.866 3.588 0 50 HHAA CC(=O)NCCC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 11844436 VSTGVFHQSOYVEP-UHFFFAOYSA-N 418.541 3.988 0 50 HHAA CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 11976189 TZEGQNIHGBDKBF-OFNKIYASSA-N 422.525 3.527 0 50 HHAA O=C(CCc1ccccc1)NC[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 12315937 OAVFQBUNNXJICK-HSZRJFAPSA-N 402.542 3.833 0 50 HHAA CCn1cc(C(=O)N2CCSC[C@H]2c2ccc(OC)cc2)c(=O)c2ccc(C)nc21 12409100 OEFWONBTOMKTMP-FQEVSTJZSA-N 423.538 3.664 0 50 HHAA Cc1nnc(SCC(=O)N[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)s1 12457370 WGQLNPHSOPZCJS-HNNXBMFYSA-N 421.498 3.596 0 50 HHAA COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2cncn2)c(C)c1C 12702807 IPWPGHRZAGJSDI-XMMPIXPASA-N 415.497 3.559 0 50 HHAA CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 13646873 JBLYBCPFFMUKPV-UHFFFAOYSA-N 418.515 3.521 0 50 HHAA Cc1noc(C)c1CCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 15077361 APLLHYCILQOJPY-SFHVURJKSA-N 400.429 3.882 0 50 HHAA COc1ccc(OC)c(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c1 20109980 KYLZADTZPJMZPS-HXUWFJFHSA-N 413.537 3.630 0 50 HHAA O=C1NC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)NN1c1ccccc1 20218507 XRADUBFDNKMLHK-UHFFFAOYSA-N 411.815 3.785 0 50 HHAA O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CCN(Cc2ccccc2)CC1 67629607 WCGUIEQGOUVDSK-UHFFFAOYSA-N 410.905 3.918 0 50 HHAA Cc1ccc(OCCN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cc1C 91586018 RVNMIBWYICYPSE-QFIPXVFZSA-N 400.563 3.566 0 50 HHAA CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccccc1N1CCN(c3ccccn3)C[C@H]12 248034878 QPWJIZCPRNXAPB-OZXSUGGESA-N 423.520 3.742 0 50 HHAA CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 252675735 UWSBTSAJZMIHBL-HDJSIYSDSA-N 423.629 3.978 0 50 HHAA in-vivo Cn1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cn1 253410089 MVLZRHJIQUMZRO-AWEZNQCLSA-N 422.824 3.994 0 50 HHAA biogenic Cn1ccnc1C[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)C1 483281265 SRKRMXYITQOLGB-HNNXBMFYSA-N 413.909 3.537 0 50 HHAA COc1cc(Cl)ccc1C(=O)NC[C@@H]1CCCN(c2ccc(C(C)=O)cn2)C1 952970545 CLJDAHBYLBFBHT-HNNXBMFYSA-N 401.894 3.593 0 50 HHAA CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc2nc(O)oc2c1)c1ccc(Cl)cc1 1461921399 ZPIUISUYQQPPCT-GTNSWQLSSA-N 401.850 3.632 0 50 HHAA CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)[C@@H](c1cccnc1)N1CCOCC1 1529144040 DWDODQSYLASZOJ-OAQYLSRUSA-N 419.529 3.712 0 50 HHAA COc1ccc(-c2c(C)nn(C)c2NC(=O)COCc2nc3ccc(F)cc3[nH]2)cc1 1529187733 ZTIFTRHQURBECX-UHFFFAOYSA-N 423.448 3.575 0 50 HHAA O=C(c1csc2ccccc12)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857740632 MXOJRUVJYRWCIQ-NOXFTYBFSA-N 404.491 3.816 0 50 HHAA C[C@@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)[C@@H]1COc2ccccc21 1875357126 ZLRSVWXNZIKHEH-DKLXNKCPSA-N 416.521 3.816 0 50 HHAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC1CCN(C(=O)CCC(=O)c2cccs2)CC1 2325826041 MQONFMNNEDQVSE-YESZJQIVSA-N 402.560 3.645 0 50 HHAA COC(=O)c1ccccc1N[C@H](NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl 872958 QRKKPXPNKCNZKP-QGZVFWFLSA-N 415.704 3.940 0 50 HHAA C[C@@H](NC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1)c1ccccc1 1109224 GHPLLBKZMZPUOI-OPAMFIHVSA-N 402.450 3.956 0 50 HHAA COc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 1135350 OHZFCPFBHXCBIL-NRFANRHFSA-N 400.434 3.541 0 50 HHAA O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccs1 3243391 LZWUNZRMANFRAO-UHFFFAOYSA-N 405.341 3.861 0 50 HHAA in-vitro O=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1NC[C@@H]1CCCO1 7002469 OZWMZYHAIXTUSB-INIZCTEOSA-N 402.447 3.904 0 50 HHAA COC[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C 11663200 SSJYUVSVCAPHAZ-FQEVSTJZSA-N 419.591 3.514 0 50 HHAA O=C(c1cc(F)ccc1F)[C@@H]1CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 11874638 MWXDPJRLNARLHT-MRXNPFEDSA-N 412.436 3.827 0 50 HHAA O=C1CC[C@](CCC(=O)N2CC[C@H](c3ccccc3F)C2)(Cc2cccs2)N1 11999002 QBMPOKVKFPWIAF-AOMKIAJQSA-N 400.519 3.875 0 50 HHAA O=C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CCN1CCN1CCCCC1 14996471 CAHSKCUGBUQYJC-UHFFFAOYSA-N 423.532 3.653 0 50 HHAA CN1CCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)C[C@@H]1c1ccccc1 20599000 DNVCNQJQCLMTKO-XMMPIXPASA-N 411.509 3.609 0 50 HHAA Cc1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 23382475 ZFGCDSKRXFMZOM-NRFANRHFSA-N 411.465 3.856 0 50 HHAA Cc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4)CC3)n2)cc1 67629500 QABRZUZFTNKJOU-UHFFFAOYSA-N 404.514 3.916 0 50 HHAA O=C(CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 100027612 YHLRSBPWCVVCJF-OAHLLOKOSA-N 409.294 3.997 0 50 HHAA COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 253416438 XGFXWCYWLRIZPC-INIZCTEOSA-N 424.476 3.734 0 50 HHAA CCCc1nc2ccccc2n1[C@@H](C)C(=O)N(C)Cc1nc(-c2ccccn2)no1 426399350 FCSDQYOQFRZTLM-HNNXBMFYSA-N 404.474 3.653 0 50 HHAA CCN(CCc1nc2cccc(C)c2[nH]1)S(=O)(=O)c1ccc(-c2ccno2)s1 952869051 HEWSIGNFICTOCS-UHFFFAOYSA-N 416.528 3.841 0 50 HHAA CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)Cc1cccc(C(F)(F)F)c1 952985749 GZIJUJXXXOPXID-UHFFFAOYSA-N 422.447 3.575 0 50 HHAA Cc1nc(CNC(=O)c2cc(-c3ccccc3C(F)(F)F)[nH]n2)ccc1[C@H](C)O 1875258549 SAJQDQGQEIOOFK-LBPRGKRZSA-N 404.392 3.782 0 50 HHAA O=C(N[C@@H](Cc1coc2ccccc12)C(=O)O)c1ccn(-c2ccccc2Cl)n1 1875347532 PAFFTOLMVBSSJW-KRWDZBQOSA-N 409.829 3.698 0 50 HHAA CCOC(=O)c1nnsc1NC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 2325729486 BTRBEBWRRNRVIP-SOFGYWHQSA-N 414.418 3.693 0 50 HHAA CCc1cccc2[nH]c(C(=O)N(C)[C@H]3[C@@H]4CN(C(=O)CCCCSC)C[C@@H]43)cc12 2325872069 GUCZKHMELXANMT-OEWRPIJISA-N 413.587 3.792 0 50 HHAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 853936 JUVNOQZQZGPOCX-UNMCSNQZSA-N 422.481 3.616 0 50 HHAA biogenic Cc1ccc(-n2c3c(cc(C(=O)NCc4ccco4)c2=O)C(=O)CC(C)(C)C3)cc1 1116807 QSXFZPHCBLVPRK-UHFFFAOYSA-N 404.466 3.824 0 50 HHAA O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccco3)[C@H]2C(=O)N1Cc1ccccc1 100722283 GKHNZKLMLAWTOH-HSALFYBXSA-N 408.841 3.980 0 50 HHAA COc1ccc([C@H]2N3CCc4ccccc4[C@H]3CN2S(=O)(=O)c2ccccc2)cc1 226895123 IHKZIFZJBIPCDM-RPWUZVMVSA-N 420.534 3.998 0 50 HHAA COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2c1c(=O)[nH]c(=S)n2C1CC1 20608038 OTEQIPDVCPYPHZ-UHFFFAOYSA-N 419.409 3.844 0 50 HHAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@H](C)C3=CCCCC3)CC2)c1 824568752 SKDXGAIUGVZPPJ-MRXNPFEDSA-N 400.519 3.561 0 50 HHAA O=C1CCN(c2ccccc2C(=O)N2CCCC[C@H]2CCc2cccs2)C(=O)N1 1506396315 CNLQUGBFJTYJIR-INIZCTEOSA-N 411.527 3.822 0 50 HHAA Cn1c(CCNC(=O)c2ccc(F)cc2)nnc1SCc1cccc(Cl)c1 11788841 OJFRFJDCWIYUOM-UHFFFAOYSA-N 404.898 3.872 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@@H](C(=O)NCCc4ccccc4F)C3)nc2c1 12097223 KNXHJPMPYQDFMF-LJQANCHMSA-N 406.505 3.961 0 50 HHAA Cc1ccc(C[C@]2(CCC(=O)NCc3cn4c(C)c(C)sc4n3)CCC(=O)N2)cc1 12151372 VACQWIGFMKOMHX-QHCPKHFHSA-N 424.570 3.609 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1 12654682 MECMSIKNLZWWHA-UHFFFAOYSA-N 422.304 3.628 0 50 HHAA COc1ccc(CCc2nc(-c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)no2)cc1 169769406 DSBRLHQKEZUWMP-FQEVSTJZSA-N 417.469 3.702 0 50 HHAA COc1cc(-c2nc(-c3ccccc3O)[nH]c2-c2oc(C)cc(=O)c2O)ccc1O 1857526671 RMLFNNWYQVZVFF-UHFFFAOYSA-N 406.394 3.798 0 50 HHAA COCCn1cnnc1[C@H](C)n1ccnc1-c1cnc(-c2ccccc2OC)s1 1857692051 MMGWAOLUCITYCL-AWEZNQCLSA-N 410.503 3.529 0 50 HHAA COc1ccc2c(C)c(C(=O)N3CCO[C@@H](CN(C)C)[C@@H]3c3ccccc3)oc2c1 1857710092 HEYRAANCGITFAX-VXKWHMMOSA-N 408.498 3.894 0 50 HHAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1csc3c1CCCC3)CC2 497602519 HAOLYEILXHRQGW-QGZVFWFLSA-N 415.511 3.858 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 784276 FXLQVBPHQPIBOV-UHFFFAOYSA-N 408.526 3.658 0 50 HHAA COc1ccccc1NC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)s1 1142382 SAFYSUZEYGKQOE-UHFFFAOYSA-N 414.512 3.838 0 50 HHAA O=C1CCc2c1cccc2C(=O)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356141913 VYPWIHOTJSFFOG-AREMUKBSSA-N 416.521 3.655 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)sc2c1CCCC2 2421147 DBZCFPZXKFKUCZ-JOCHJYFZSA-N 413.495 3.914 0 50 HHAA aggregator COCCN1CCC[C@]2(CCCN2Cc2cc(Cl)cc(Cl)c2OC)C1=O 2356169957 NWRWBRHRUCIQBB-IBGZPJMESA-N 401.334 3.605 0 50 HHAA COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O 4618963 IJWWXENHNDEFOY-ZHHULCEESA-N 406.954 3.907 0 50 HHAA Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2C)c1 4742559 TVCBXZOWKJNZNR-UHFFFAOYSA-N 409.511 3.738 0 50 HHAA CN(Cc1ccccc1)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 55326978 BATCCVLRBAYAMG-UHFFFAOYSA-N 405.542 3.561 0 50 HHAA O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC[C@@H](c2nnc3n2CCC3)C1 463797881 JTGRAHWEOJUNQF-OAHLLOKOSA-N 405.477 3.809 0 50 HHAA COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)ON(c3ccccc3)[C@H]2c2ccccc2)cc1 245328224 UJVPADQYHUNJPW-FDFHNCONSA-N 418.449 3.896 0 50 HHAA O=C(N[C@H](C(=O)O)[C@H](O)Cc1ccccc1)OCC1c2ccccc2-c2ccccc21 722975928 AVWRDMWEWHYRJC-PKTZIBPZSA-N 417.461 3.582 0 50 HHAA CN1C[C@@]2(CCCN(Cc3ccc(OCC(=O)c4ccccc4)cc3)C2)CCC1=O 952975966 DHOWGNVBSNCFKR-RUZDIDTESA-N 406.526 3.783 0 50 HHAA CCn1c(C)cc2cc(NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)ccc21 952976432 FNOLWNDCGNUHHZ-UHFFFAOYSA-N 403.479 3.513 0 50 HHAA CCCc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@H]3c3nc(C(C)C)no3)cc2)[nH]1 1506341450 MZLARNRELUAMKL-SFHVURJKSA-N 409.490 3.602 0 50 HHAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@H]3CCCN(C(N)=O)C3)cc12 11879064 BYRDCQCQLXCUTM-KRWDZBQOSA-N 408.477 3.689 0 50 HHAA CC[C@H]1CCCCN1C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC 11881993 VWCOXGFBTWFKIV-HNNXBMFYSA-N 411.531 3.942 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 12297310 HSPHTQBRPFYQSK-RUZDIDTESA-N 417.509 3.901 0 50 HHAA Cc1ccc(C(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1Br 12406050 SDHPPIXLDIOJPF-QGZVFWFLSA-N 417.303 3.919 0 50 HHAA CCn1nc(C)c(CN(CCOC)C[C@H]2CCCN(C3Cc4ccccc4C3)C2)c1C 12594111 WGYHTASHUZSTRV-JOCHJYFZSA-N 424.633 3.848 0 50 HHAA COc1ccc(CNCCC(=O)N(C)Cc2ccccc2Br)cc1F 237337364 YZEKDQBCPQDVAZ-UHFFFAOYSA-N 409.299 3.735 0 50 HHAA NC(=O)C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 1875263915 CTOVKCPLERGZSS-MRXNPFEDSA-N 421.259 3.869 0 50 HHAA CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 1875344192 GYAFRACBTNNFJY-FCHUYYIVSA-N 408.542 3.892 0 50 HHAA Cc1cc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1OCC(N)=O 1109120 NWRZUGFRAHWRIP-UHFFFAOYSA-N 423.705 3.620 0 50 HHAA COc1cccc(C2=NN(C(=O)COc3ccc(C)c(C)c3)[C@](O)(C(F)(F)F)C2)c1 1152086 DKLZLDOAOGQQRK-HXUWFJFHSA-N 422.403 3.578 0 50 HHAA O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1nc2ncccn2n1 2808388 YQXULXLWCAPAQU-UHFFFAOYSA-N 422.663 3.582 0 50 HHAA Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3cccnc3)C2=O)c1 4738699 MLGSIIYYICKSLD-NRFANRHFSA-N 414.465 3.756 0 50 HHAA CN(C)CCNC(=O)c1ccc(OC2CCN(CC3CCCC3)CC2)c(Cl)c1 11661548 XRNAHZNBWBPOTC-UHFFFAOYSA-N 407.986 3.665 0 50 HHAA CCn1ncc(CN2CCC[C@@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)c1C 11878310 BMTZNCBUAYSUOA-SFHVURJKSA-N 414.550 3.860 0 50 HHAA O=C(Nc1ccnn1C1CCN(Cc2ccc3nsnc3c2)CC1)C1CCCC1 11934686 GXHGNVDKZRZMPC-UHFFFAOYSA-N 410.547 3.854 0 50 HHAA Cc1cccc(N2CCN([C@@H]3CCC(=O)N(Cc4ccccc4Cl)CC3)CC2)n1 12050792 YPILWXQKKXTHTP-HXUWFJFHSA-N 412.965 3.747 0 50 HHAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CCCN1CCCC1=O 12711229 AOJKNNGOJPCYAU-LJQANCHMSA-N 408.546 3.713 0 50 HHAA O=C(Nc1ccnn1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CC1 14981059 MNXWKGJCCZKLJO-UHFFFAOYSA-N 406.408 3.728 0 50 HHAA CSc1cccc(CNC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)nn2)c1 15064518 GCEZAMHOHDICAK-UHFFFAOYSA-N 406.433 3.997 0 50 HHAA Cc1ncc2c(c1CNC(=O)c1ccco1)CCN(C(=O)CSc1ccccc1)C2 15067519 HHCLYLOMTCYHSB-UHFFFAOYSA-N 421.522 3.590 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(Cc2cnc(N(C)C)s2)C1 20914800 WVYJJENTWPOEOL-JOCHJYFZSA-N 401.576 3.906 0 50 HHAA Cc1cccc(CN2CCC(N3CCC(C(=O)N4CCCCCCC4)CC3)CC2)n1 20917832 LAMNKLCBGQNCMZ-UHFFFAOYSA-N 412.622 3.859 0 50 HHAA CC[C@H](CO)N(Cc1ccccn1)C(=O)c1cccc(NC(=O)c2ccco2)c1C 55200370 YVVNLPREFNSUOJ-GOSISDBHSA-N 407.470 3.649 0 50 HHAA CCc1cccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c1 65365839 QAMFZCJTAACNPO-UHFFFAOYSA-N 408.550 3.692 0 50 HHAA COc1ccc(C)cc1NC(=O)Cn1cnc(-c2ccccc2)c1-c1cnn(C)c1 65407367 BHQWOYYRERKRJD-UHFFFAOYSA-N 401.470 3.906 0 50 HHAA Cc1cc(I)c(Br)cc1I 71784984 WKYZAIIPNVLNLS-UHFFFAOYSA-N 422.829 3.967 0 50 HHAA C[C@@H](C1CCN(C(=O)CN2Cc3cc(Cl)ccc3O[C@H](C)C2)CC1)N1CCCC1 104454269 PAVVRHKDIDMNTM-MSOLQXFVSA-N 419.997 3.646 0 50 HHAA COc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCCN2C3=O)c(OC)c1 169766132 FQYCDYDWULJEEE-OAQYLSRUSA-N 409.486 3.748 0 50 HHAA COCCOCCOc1ccc(CSc2nc3ccccc3c3nc(C)nn23)cc1 170605567 JNHDRCBWQCSDKW-UHFFFAOYSA-N 424.526 3.920 0 50 HHAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)c1cc(Br)ccc1F)[C@@H]3C2 215640762 JVRGJSXIHCINKC-LGFNAOKASA-N 416.312 3.569 0 50 HHAA O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cnc2ccc(Br)cn2c1=O 252679413 LZSBVOVXKFVORJ-VNHYZAJKSA-N 404.308 3.546 0 50 HHAA CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C(=O)NC[C@@H]3CCCO3)C(C)C)o2)cc1 253419941 NYYSLAKYSVKKSV-RXVVDRJESA-N 413.470 3.626 0 50 HHAA Cc1cc(C)n([C@@H](C)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)n1 253428275 JPTDNLYLRMPBIK-YSIASYRMSA-N 412.534 3.580 0 50 HHAA c1ccc2c(c1)C[C@H](c1nnc(N3CC[C@@]4(CCCOC4)C3)n1C[C@@H]1CCCCO1)O2 461684675 SDXXUJKMMDZENX-LEEZEASISA-N 424.545 3.530 0 50 HHAA O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1ccc(-c2ccccc2Cl)o1 670448910 WFTABELGMQJDAC-IBGZPJMESA-N 411.889 3.798 0 50 HHAA Cc1ccc(N2CC[C@H](CNS(=O)(=O)c3ccc(-c4onc(C)c4C)o3)C2)cc1 1506399427 NMQSTWQTVGHMFB-QGZVFWFLSA-N 415.515 3.665 0 50 HHAA CCNc1ncc(CN2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cn1 1704324941 FNVKSXWYDCLZJQ-XMMPIXPASA-N 400.530 3.845 0 50 HHAA Cc1nc[nH]c1C(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857701046 LEFYPJGHSYFBMN-NRFANRHFSA-N 410.562 3.820 0 50 HHAA O=S1(=O)CC[C@@H](n2nc(-c3ccncc3)nc2Cc2ccc(C3CCC3)cc2)C1 1875348877 FTIQUBQDDRYRSC-HXUWFJFHSA-N 408.527 3.558 0 50 HHAA Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C2)n1 2325819844 RSSWCVNCJGIKHI-ZYSHUDEJSA-N 417.351 3.700 0 50 HHAA Cn1c(C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)cc2ccsc21 2325874189 DBVLXUGXHIZHFH-UHFFFAOYSA-N 405.545 3.710 0 50 HHAA Cc1c(C(=O)N2CCC[C@]23CCCN(Cc2ccccn2)C3=O)[nH]c2ccc(F)cc12 2356165868 IUGRBFVNRYNKIT-DEOSSOPVSA-N 420.488 3.808 0 50 HHAA Cc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 669945 UJPFCBACVDJIMG-UHFFFAOYSA-N 408.523 3.815 0 50 HHAA NC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 755302 ZFAYNIWVGFJMNW-UHFFFAOYSA-N 417.534 3.845 0 50 HHAA biogenic CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 1121709 INXRQKHBYDHDSK-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccccc2Br)NC(=O)N1 1162244 GKHIKWPTRDYNDI-INIZCTEOSA-N 422.229 3.994 0 50 HHAA Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 2800038 AFKQAXKIMAWHEM-UHFFFAOYSA-N 418.770 3.536 0 50 HHAA Cc1cccc(CSCCNS(=O)(=O)c2ccc(Br)cc2)c1 2989475 FNCQZEPOUORAGC-UHFFFAOYSA-N 400.363 3.969 0 50 HHAA Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)C[C@H]2c1ccccc1C(F)(F)F 4708081 AGYKTANDHHMBRN-LBPRGKRZSA-N 412.371 3.679 0 50 HHAA O=C1c2ccccc2[C@@]2(O)OC(c3ccccc3)=C(c3nc4ccccc4s3)[C@]12O 5446548 BWXCLGRJFGOIBY-BJKOFHAPSA-N 413.454 3.968 0 50 HHAA COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCOc2ccc(Cl)cc21 8619245 XBFFYIMXJLNKGW-UHFFFAOYSA-N 420.874 3.900 0 50 HHAA COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccc(F)c(Cl)c3)S2)cc1 8994490 VKPDIMYFNQRRAK-HNNXBMFYSA-N 407.854 3.926 0 50 HHAA O=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(Cc3cccc(F)c3)CC2)N1 12161640 ZRKQRXLSKORKIG-DEOSSOPVSA-N 409.505 3.639 0 50 HHAA O=C(NCC1(N2CCCCC2)CCCC1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12479863 WYLCQAPVSLVBTO-NRFANRHFSA-N 403.611 3.720 0 50 HHAA COc1cccc(CNC(=O)c2cc(COc3ccc(OC)cc3Cl)on2)c1 12596035 ZHRBLAKCOPLOBV-UHFFFAOYSA-N 402.834 3.854 0 50 HHAA O=C(c1ccoc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12752471 MTGAXJGMRSJVEA-XMMPIXPASA-N 408.542 3.780 0 50 HHAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ocnc3C)C2)cc1Cl 15063424 XAYICCWVCDTFEM-AWEZNQCLSA-N 405.882 3.916 0 50 HHAA OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1Cc1ccccc1 19222362 MYTKPIAPOTZWIR-QFIPXVFZSA-N 410.949 3.799 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3)C2=O)cc1 100722299 JYJQMKATQMDTHU-FDFHNCONSA-N 400.434 3.746 0 50 HHAA C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)o1 170672725 VRCWFFKZJGIMTG-MGPUTAFESA-N 424.497 3.911 0 50 HHAA CCOC(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2CCCC[C@H]2C)C1 241684875 QFXCTELSOMCKJL-NQIIRXRSSA-N 401.551 3.546 0 50 HHAA CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCOC[C@H]12 247991103 ATDGRSXIBYIPFI-PZJWPPBQSA-N 415.415 3.876 0 50 HHAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CC=C(c2ccc(F)cc2)CC1 426190463 FOMAUFMBBCTSLW-PTSNNYBLSA-N 408.517 3.570 0 50 HHAA O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CC[C@]2(O)CCCC[C@H]2C1 888105588 VZQJRMWZZMGLIR-JYFHCDHNSA-N 404.554 3.861 0 50 HHAA COc1cccc([C@H]2CCN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C2)c1OC 1506396479 UHXQIFUTFXHGSG-AWEZNQCLSA-N 417.889 3.687 0 50 HHAA COc1cc(-c2onc(N(C)C)c2C(=O)NCCCc2c(C)noc2C)ccc1F 1704330312 HXQZXMZGADHPNM-UHFFFAOYSA-N 416.453 3.523 0 50 HHAA Cc1ccc2oc(N3CCC(C(=O)N[C@@H]4CCCc5sc(C)nc54)CC3)nc2n1 1857697239 LOZCNIRYNJTDMZ-OAHLLOKOSA-N 411.531 3.706 0 50 HHAA CCc1c(NC(=O)N[C@H](C)[C@H](C)n2cncn2)cnn1-c1ccc(C(F)(F)F)cc1 1875262919 UTINRUDZYKNLKN-OLZOCXBDSA-N 421.427 3.816 0 50 HHAA NC[C@H](CC(=O)Nc1cccc(-c2cn[nH]c2)c1)c1ccc(Br)s1 2325861359 NRCMNUPYCNXYQC-LBPRGKRZSA-N 405.321 3.972 0 50 HHAA COc1cc2c(cc1S(=O)(=O)Nc1c(O)ccc(Br)c1F)CCC2 2325874355 JVHWEPDDDZLQSD-UHFFFAOYSA-N 416.268 3.592 0 50 HHAA O=C1N(C2CC2)CCC[C@@]12CCCN2Cc1cnc2c(-c3ccccc3)cnn2c1 2356166520 BIBZQHGTIYDBKR-DEOSSOPVSA-N 401.514 3.516 0 50 HHAA COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1179153 YXAQNHMMIZXKBG-HXUWFJFHSA-N 400.434 3.541 0 50 HHAA O[C@@H](OCCCCCCO[C@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1640283 ZQACRPYJMAADEF-YUMQZZPRSA-N 412.952 3.957 0 50 HHAA CCOC(=O)c1ccc(NC(=O)CCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 4278848 SIKGSWUMIUKJKG-UHFFFAOYSA-N 416.433 3.641 0 50 HHAA Cc1cccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)c1C 6035035 FPEKSEURRXUKRL-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA CCOCCC1(C(=O)NC[C@@]2(C)CCN(C(=O)C3(CCOCC)CCC3)C2)CCC1 225669635 UUWFRUPIEIYRIU-JOCHJYFZSA-N 422.610 3.535 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1Cl 65363577 KYZSUOGVLBICFN-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA O=C(CCCOc1ccc2c(c1)CCC2)NCc1ccccc1CN1CCC(O)CC1 482507965 KMYXCKYMGVZYBD-UHFFFAOYSA-N 422.569 3.607 0 50 HHAA Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc(F)cc3)n2C)c1 17081882 WZPNHTFMQODIRS-UHFFFAOYSA-N 400.479 3.881 0 50 HHAA C[C@H]1Cc2ccccc2N1C(=O)CCn1ccc(C(=O)N2c3ccccc3C[C@@H]2C)n1 20617376 SCXPCGIYNCFLCJ-ROUUACIJSA-N 414.509 3.842 0 50 HHAA CCN(C(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1)c1ccccc1 244852495 UTMBIBPNLCYUTB-IDPBPBMLSA-N 404.466 3.815 0 50 HHAA OCc1cc(I)c(OCc2ccccc2)c(Br)n1 40564672 UONIVNSGZDAIPR-UHFFFAOYSA-N 420.044 3.520 0 50 HHAA O=C1CCc2cc(-c3csc(NC(=O)NCC4(CF)CCOCC4)n3)ccc2N1 1465100102 KIICWPKHUDBWFK-UHFFFAOYSA-N 418.494 3.583 0 50 HHAA COc1c(Cl)cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1Cl 952975948 UPHCOPIETLGGBC-QGZVFWFLSA-N 403.269 3.908 0 50 HHAA C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 301434650 LSWFXTNPDRUIHJ-WCQYABFASA-N 402.413 3.874 0 50 HHAA Cn1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc2ccccc21 170640557 ZUUFULXAFDZTSR-KRWDZBQOSA-N 413.424 3.705 0 50 HHAA CC(C)c1ccc(-c2noc(COC(=O)Cn3ccc4ccccc4c3=O)n2)cc1 790720735 HDSYXAQRZDEEEU-UHFFFAOYSA-N 403.438 3.918 0 50 HHAA CCOc1cc(CN2C[C@H](O)[C@H](Cc3cc(C)no3)C2)c(Cl)cc1OC(C)C 1529146471 ZORQUTURVRGVGR-APWZRJJASA-N 408.926 3.858 0 50 HHAA Cc1nc(C)n(CC(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)n1 11703814 RFJQUTONJZTSKC-HXUWFJFHSA-N 420.488 3.823 0 50 HHAA CCOc1ccccc1CN1CCC(CCC(=O)NC[C@@H]2CCCN2CC)CC1 11839114 QHTQUOUYQCDFEH-QFIPXVFZSA-N 401.595 3.678 0 50 HHAA C[C@H](Cc1ccc2c(c1)OCO2)CN1CCC[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 11999806 UJCXHTREDKZQAX-RLLQIKCJSA-N 410.514 3.814 0 50 HHAA COc1ccc(CC(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)cc1OC 12054143 FKPMEPWNHXUGSJ-SFHVURJKSA-N 422.456 3.567 0 50 HHAA COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(CC(C)C)CC3)cc1 14731496 KATBYWJRABIXMB-UHFFFAOYSA-N 415.578 3.649 0 50 HHAA COc1ccc(CN2CCN(C3C4CC5CC(C4)CC3C5)C[C@@H]2CCO)c(F)c1 19792479 XCFGTCMPOKXCJK-NENJFKCLSA-N 402.554 3.528 0 50 HHAA CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 19890005 OWLNOYZHAYOCKF-UHFFFAOYSA-N 410.539 3.745 0 50 HHAA CC(C)c1noc(-c2cccn3c(CNC(=O)c4cc(Cl)ccc4F)nnc23)n1 169775933 FZQJJLBUCAVCGC-UHFFFAOYSA-N 414.828 3.625 0 50 HHAA CN(Cc1cnc2ccccc2c1)C(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857718124 AARHKGVWGTZXSP-QGZVFWFLSA-N 416.506 3.856 0 50 HHAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3[nH]c4ccccc4c3Cl)C1)CC2 1704335040 KAQAKABKKJOEJV-JOCHJYFZSA-N 409.921 3.798 0 50 HHAA C[C@@H](CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)Oc1ccccc1 1318486952 LRIQCNBPWJUKSL-HNNXBMFYSA-N 405.479 3.620 0 50 HHAA CC(C)(C)NS(=O)(=O)c1cccc(-c2nc(Cc3cc(F)cc(F)c3)no2)c1 2325736136 SGBJRBDICMUCJD-UHFFFAOYSA-N 407.442 3.682 0 50 HHAA CNC(=O)C[C@H](NC(=O)c1sc2nc(C(C)(C)C)ccc2c1N)c1ccccc1 2325850644 DKKCBHSHYRLKJM-HNNXBMFYSA-N 410.543 3.783 0 50 HHAA CC(=O)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)nc2)c1 656378 ZVYQVSVIIXRMRS-UHFFFAOYSA-N 401.422 3.991 0 50 HHAA CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 796369 RZOHRERMOGGVJM-UHFFFAOYSA-N 401.923 3.943 0 50 HHAA COc1cc(Br)c([C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1OC 816197 OGYAFGGPXYEEDT-JTQLQIEISA-N 422.275 3.958 0 50 HHAA Cc1c(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)cnn1C 884628 GLOZPZJWWGAWLC-RDJZCZTQSA-N 418.423 3.515 0 50 HHAA COC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1C 1062223 IUCKNVKETQMVJR-UHFFFAOYSA-N 424.478 3.835 0 50 HHAA CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1Br 1151770 BUYVUSMIXYZXJJ-UHFFFAOYSA-N 423.288 3.673 0 50 HHAA COC(=O)c1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 1154167 BROJZWVSWFOCQK-UHFFFAOYSA-N 415.614 3.984 0 50 HHAA COc1cc(CNCCO)cc(Br)c1OCc1ccccc1Cl 2862432 FTJTUQRVWOVUOA-UHFFFAOYSA-N 400.700 3.772 0 50 HHAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 4031523 QSTCDPZTVXJBJO-UHFFFAOYSA-N 411.508 3.952 0 50 HHAA O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1nnc(-c2ccccc2)s1 9731330 CJBDVRKOIJEBEW-UHFFFAOYSA-N 419.495 3.755 0 50 HHAA Cc1nonc1OCCNC(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 11818404 NVPSKLQIEXPSSE-UHFFFAOYSA-N 406.442 3.503 0 50 HHAA O=C(Nc1cccc(N2CCNC2=O)c1)[C@H]1CC12CCN(Cc1ccsc1)CC2 11841271 FLJUGRMWZQIZJI-LJQANCHMSA-N 410.543 3.519 0 50 HHAA CC(C)c1c(C(=O)NCc2ccncc2)cnn1-c1nccc(-c2ccccc2F)n1 12080046 XLUMJQAQKZYMAX-UHFFFAOYSA-N 416.460 3.917 0 50 HHAA COc1ccc(-c2cnnc(N3CCC[C@@H](C(=O)CCc4ccccc4)C3)n2)cc1 12442290 RFWSAXXHJIIXRF-HXUWFJFHSA-N 402.498 3.966 0 50 HHAA O=C1CCN([C@H]2CCc3ccccc3C2)CCN1Cc1cc2c(cc1Cl)OCO2 12455920 DQLYCLRTDREEFZ-IBGZPJMESA-N 412.917 3.661 0 50 HHAA CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 12713675 YMSCBALECVDQOJ-UHFFFAOYSA-N 406.534 3.891 0 50 HHAA CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1nc3ccccc3[nH]1)CC2 14744639 LVDRDCATTYBTOW-UHFFFAOYSA-N 415.497 3.543 0 50 HHAA COc1cc(CCNCc2ccccc2F)c(OC)cc1I 95705074 LPBKNBHMWRBPHT-UHFFFAOYSA-N 415.246 3.780 0 50 HHAA in-vitro CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]21 100202015 JIRCKUQMQFWACY-RRCSTGOVSA-N 405.235 3.549 0 50 HHAA CO[C@@H]1O[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2[C@H](OC(C)=O)[C@@H]1NC(=O)c1ccccc1 101136286 GMOOACLSMCVXRV-JNBPFMOMSA-N 423.509 3.672 0 50 HHAA CCOc1ccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)cc1 169772008 BLQGTMFJISQPPW-NRFANRHFSA-N 407.426 3.534 0 50 HHAA O=S(=O)(Nc1cncnc1-n1cccn1)c1ccc2c(Cl)ccc(Cl)c2c1 170596535 JXOKRDVNDSJFTO-UHFFFAOYSA-N 420.281 3.923 0 50 HHAA CCc1c(C(=O)N[C@@H](CC(=O)O)c2cccc(Br)c2)[nH]c(C)c1C(C)=O 237107716 OCYBMTLGJPBCIA-HNNXBMFYSA-N 421.291 3.796 0 50 HHAA C[C@@H]1CCc2c(sc3nc(SC[C@H]4CCOC4)n(C[C@H]4CCCO4)c(=O)c23)C1 248340604 VCJPBWHZLWANPR-QLFBSQMISA-N 420.600 3.890 0 50 HHAA COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 252497022 PXLLAPFBZLMHMZ-HZPDHXFCSA-N 408.930 3.560 0 50 HHAA Cc1cccc(C2=C/C(=C(\O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)N=N2)c1O 334157919 LVEVQYWPKYGXCH-AOMYARPXSA-N 415.471 3.517 0 50 HHAA O=C1Nc2ccccc2CC[C@H]1N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 483513981 QBMOGRBVRWLVSU-GOSISDBHSA-N 418.324 3.705 0 50 HHAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)c1cnn(Cc2ccccc2)c1 952965524 DFLVVVVQNZMGPS-UHFFFAOYSA-N 403.486 3.521 0 50 HHAA Cc1ccc(OCc2occc2C(=O)N2CCN(c3ncnc(C)c3C)CC2)cc1 952972650 DRRYCCQUZTZERR-UHFFFAOYSA-N 406.486 3.536 0 50 HHAA Cc1cccc(OCC(=O)N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)c1C 1857671905 WKRKPDLNKIZDOG-FYYLOGMGSA-N 409.526 3.956 0 50 HHAA CC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857672649 VTSRFBVGSXJITQ-MOPGFXCFSA-N 422.573 3.725 0 50 HHAA O=C(c1cccnc1O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857705546 LVSKYVFSONTCBH-NRFANRHFSA-N 423.557 3.889 0 50 HHAA COc1ccc(CCCNC(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)cc1 1857714060 JYIHMASQRACMBB-SFHVURJKSA-N 408.502 3.587 0 50 HHAA O=C(/C=C/c1ccccc1)NC1CCN(C(=O)CC[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 1875309075 PSBSLTAXZXQIFM-AAYGWRJKSA-N 424.463 3.697 0 50 HHAA CC(C)C[C@H](NS(C)(=O)=O)c1nc(Cc2cc(-c3ccccc3Cl)on2)no1 1875347286 SOCLJGZACAIODH-HNNXBMFYSA-N 424.910 3.605 0 50 HHAA CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1)c1cccs1 1875350332 ISGMBYHVVDLPCT-SFHVURJKSA-N 419.510 3.684 0 50 HHAA C[C@H]1CCc2nc(NS(=O)(=O)c3ccc(Cl)c4nsnc34)sc2C1 1875358027 GTRBWXQWYXBMGP-ZETCQYMHSA-N 400.938 3.727 0 50 HHAA O=C(Nc1cnn2cccnc12)N1CCC[C@H]1Cc1ccc(OC(F)(F)F)cc1 2325818706 STYICYAHLAJKHQ-AWEZNQCLSA-N 405.380 3.867 0 50 HHAA Cc1ccnc([C@@H](NC(=O)c2c(OCc3ccccc3)c(=O)ccn2C)C2CC2)c1 2356169382 ACFPVYDTOYHUPB-NRFANRHFSA-N 403.482 3.549 0 50 HHAA CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)CC(C)C)cc3n2)cc1 678836 PHNMIJVVOTWHEA-UHFFFAOYSA-N 411.531 3.987 0 50 HHAA O=c1c2ccccc2nc(CSc2nnnn2-c2ccccc2)n1-c1ccccc1 751996 BRVNFKRJKTZECL-UHFFFAOYSA-N 412.478 3.654 0 50 HHAA c1ccc2c(c1)CC1(CO2)CN(Cc2cc3ccccc3nc2N2CCOCC2)C1 2356152011 MJKNKTCNNRZFRB-UHFFFAOYSA-N 401.510 3.509 0 50 HHAA Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2cccc(Cl)c2Cl)c(C)c1 4978009 NTNJIUHDDOMLQJ-UHFFFAOYSA-N 401.315 3.836 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 6196237 ZKBAFHYUKSEBGB-UHFFFAOYSA-N 415.496 3.760 0 50 HHAA Cc1c(C)n(CCN(C)C)c2ncn3nc(-c4cc5ccccc5cc4O)nc3c12 6669827 GRIINAVKARQPQM-UHFFFAOYSA-N 400.486 3.783 0 50 HHAA CC(C)(C)OC(=O)NC1CCN(CCCC(=O)NCCSc2ccccc2)CC1 225604244 NJDHYQWYIULSFQ-UHFFFAOYSA-N 421.607 3.664 0 50 HHAA Cc1cc(O)cc(=O)n1CC(=O)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 470373356 DEFPTFXBLCSSKM-UHFFFAOYSA-N 408.845 3.698 0 50 HHAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cnc(O)cc2O)cc1 92096871 NUDVMGOOJGSJPF-GOSISDBHSA-N 406.486 3.783 0 50 HHAA CC(C)[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2n1C(C)C 252508866 XWFFUVOCYYTBGN-HXUWFJFHSA-N 403.490 3.720 0 50 HHAA O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CC[C@@]2(O)CCCC[C@H]2C1 888105589 VZQJRMWZZMGLIR-OZXSUGGESA-N 404.554 3.861 0 50 HHAA Cc1cc2nc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)c3ccccc3n2n1 728286130 MLGVAWSGUFMSSQ-UHFFFAOYSA-N 423.879 3.946 0 50 HHAA Cc1ccc(N2C[C@H]3CN(Cc4nccs4)C[C@]3(CCc3ccccc3)C2)nn1 1772816846 VMYLHTAKNZBFMX-NFBKMPQASA-N 405.571 3.813 0 50 HHAA O=S(=O)(NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1)c1ccc(F)cc1 12023298 YRQQPGRKAZWIDE-UHFFFAOYSA-N 420.897 3.501 0 50 HHAA COc1ccc2nc(CCNC(=O)c3cc(COc4ccc(C)c(C)c4)on3)[nH]c2c1 12446373 KCCOLLNMJFHOSE-UHFFFAOYSA-N 420.469 3.728 0 50 HHAA O=C(NC1CCOCC1)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12578939 MRFPBIYLNXSXCQ-UHFFFAOYSA-N 408.542 3.681 0 50 HHAA CN(Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 12705335 PIUUWOAFBCXQRE-JOCHJYFZSA-N 424.564 3.742 0 50 HHAA Cc1cc(C(=O)NC[C@@H](C)Oc2cccc(CN(C)Cc3cccs3)c2)n(C)n1 14878628 SVMLTTAWKKPLMG-QGZVFWFLSA-N 412.559 3.619 0 50 HHAA O=C(Nc1ccnn1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)C1CC1 14954999 UYPWJIAAXPDYAC-UHFFFAOYSA-N 406.408 3.728 0 50 HHAA COCCC[C@@]1(CO)CN(c2cc(-c3ccccc3)nc3ccccc23)CC[C@H]1O 1875243599 OEKANIVATSXOHK-RPBOFIJWSA-N 406.526 3.878 0 50 HHAA O=c1cccc(N2CCN(c3nsc4ccccc34)CC2)n1Cc1ccccc1 1875343554 MXXHRPOVFZSSKN-UHFFFAOYSA-N 402.523 3.833 0 50 HHAA Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NCCc1coc(-c2ccccc2)n1 1875316158 XXQKFKMIIHZRNT-CYBMUJFWSA-N 406.408 3.860 0 50 HHAA Cc1cc(OCCO)ccc1NCc1ccc(OCCn2ccnc2)c(Cl)c1 2325721035 STLDDRMYEMOXDP-UHFFFAOYSA-N 401.894 3.907 0 50 HHAA Cc1cc2cc(S(=O)(=O)N[C@@H](C)c3cc(-c4ccccc4)on3)ccc2[nH]c1=O 2325873639 NUFHILLPBNZACB-AWEZNQCLSA-N 409.467 3.531 0 50 HHAA COc1cccc([C@@H](NC(=O)Cc2csc(NC(=O)C(C)C)n2)c2ccccn2)c1 225386515 XZZRMDJOYZDPIO-HXUWFJFHSA-N 424.526 3.590 0 50 HHAA COc1ccc(OC)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C)c1 9382274 UAWSGVKLXGHTGO-UHFFFAOYSA-N 423.498 3.711 0 50 HHAA O=C(O)c1cn(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nn1 400752650 WBTDIGXOUCZPBM-UHFFFAOYSA-N 418.453 3.562 0 50 HHAA Cc1c([C@@H](C)NC(=O)CN2CCC(c3ccccc3)CC2)cnn1-c1ccccn1 11936824 WKLYBYOSLAMPHN-GOSISDBHSA-N 403.530 3.633 0 50 HHAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1=O 229975329 YPTSNDHNTLWLCW-NXQMDHLFSA-N 419.525 3.788 0 50 HHAA Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 426684414 ZMFYSIZBYHLLDL-AAORUROXSA-N 405.498 3.663 0 50 HHAA Cc1cc2c(=O)n(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)c(S)nc2s1 17093735 AJUJMOHFQKFBPL-NSHDSACASA-N 423.947 3.863 0 50 HHAA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCCC3)[C@H](C(=O)O)C1 17090748 BUMRHLINJSWVEU-HZPDHXFCSA-N 416.543 3.905 0 50 HHAA COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C(C)=O)(c4ccccc43)[C@@H]2C1=O 22341173 INRWUTFSANKZBQ-ZCOIRKDISA-N 423.468 3.835 0 50 HHAA biogenic COCCn1c(C)cc(C)c(C(=O)N[C@@H]2CCCc3c2[nH]c2ccc(F)cc32)c1=O 252490084 KISJQKGBXKASHI-LJQANCHMSA-N 411.477 3.539 0 50 HHAA CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)N2CCC3(C2)OCCO3)cc1 170636398 MXXKQVXCIYSBRT-UHFFFAOYSA-N 415.877 3.597 0 50 HHAA C=CC(=O)Nc1cc(NC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)ccc1F 751453572 ZHOCUCPAQMWRQD-UHFFFAOYSA-N 424.428 3.945 0 50 HHAA CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3coc(C(N)=O)c3)ccc21 759773447 ZHQFUXCELRFNMP-ZDUSSCGKSA-N 419.437 3.690 0 50 HHAA Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 1506421152 YQODJUVMGNMVCD-NRFANRHFSA-N 414.933 3.819 0 50 HHAA CCN1C=C(C(=O)OC)C(c2cccc(OCc3ccccc3)c2)C(C(=O)OC)=C1 1121719 QQGBQVDAKXRUKL-UHFFFAOYSA-N 407.466 3.799 0 50 HHAA CC(=O)c1cccc(NC(=O)COc2ccccc2C(=O)NCCc2ccccc2)c1 1124098 YRCMKKNTFKPDBS-UHFFFAOYSA-N 416.477 3.879 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1 877245 JSMXNBBPLDTLNA-UHFFFAOYSA-N 424.803 3.903 0 50 HHAA CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 11815075 LCYLOAIKBXGRIV-UHFFFAOYSA-N 413.514 3.797 0 50 HHAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)CC2CCCC2)O3)cc1 12184468 PTGIXBYHUCOVGD-FQEVSTJZSA-N 413.539 3.757 0 50 HHAA Cc1ccc(C(=O)NC[C@H](C)Oc2cccc(CN(C)Cc3cnn(C)c3)c2)cc1 12155560 VPTDDOBAKURZHH-IBGZPJMESA-N 406.530 3.558 0 50 HHAA CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN([C@@H]1CCSC1)CC2 14543181 PJXUKERIHJIRLQ-HXUWFJFHSA-N 409.555 3.574 0 50 HHAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3C)n2)cc1NC(C)=O 16651123 IHAASCMMWJUREO-UHFFFAOYSA-N 418.497 3.687 0 50 HHAA Cc1ccc(-n2c(C3CCN(C(=O)c4ccc(F)c(Cl)c4)CC3)n[nH]c2=O)cc1 169779825 ZJCXXNHKSGOOGA-UHFFFAOYSA-N 414.868 3.681 0 50 HHAA COC(=O)c1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 951144 UTNHTEZQRZCDPC-UHFFFAOYSA-N 400.390 3.526 0 50 HHAA CCN(CC(F)(F)F)C(=O)c1ccc(OC)c(Oc2cccc(OC)c2CN)c1 1857693019 FCEVHOBEMQZSOY-UHFFFAOYSA-N 412.408 3.979 0 50 HHAA Nc1ncccc1CN1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857695765 WYEWHZRHHASZMR-JOCHJYFZSA-N 422.573 3.652 0 50 HHAA CCN(Cc1cccc(Br)c1)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1C 328608354 YRYRNWOGPZXIGY-WMZOPIPTSA-N 406.324 3.617 0 50 HHAA CCOc1ccccc1C(=O)NC1CCC(NC(=O)c2ccccc2OCC)CC1 673367 BGIOHQGJIVUPKO-UHFFFAOYSA-N 410.514 3.955 0 50 HHAA Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2cccc(F)c2)cc(O)n1 2356142380 PUNPJFBAALKIOD-VAPSRWTKSA-N 423.532 3.792 0 50 HHAA CCNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@]12C(=O)N(C)c1ccccc12 6624394 LVMAVCBWSIAXNB-JOCHJYFZSA-N 408.889 3.629 0 50 HHAA biogenic O=C(NCc1ccccn1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 8323752 KSMBIMAHEWVJOT-WBVHZDCISA-N 401.392 3.868 0 50 HHAA COc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2CCO)c(C)c1C 20453280 CAHYPYMKZRFOOI-QFIPXVFZSA-N 407.558 3.862 0 50 HHAA COc1ccc(CNC(=O)CN2CCCCC[C@H]2C[C@@H](O)c2cccs2)cc1 229428269 JJYFSVXSZXCTHI-AZUAARDMSA-N 402.560 3.741 0 50 HHAA CC(C)Oc1ccc2c(NC(=O)C(=O)c3cccn3C)nn(CC(F)(F)F)c2c1 72478843 RMOBQOBLFKQHCY-UHFFFAOYSA-N 408.380 3.546 0 50 HHAA Cn1cnc2cnc(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)nc21 1165101080 SCJNXMOZLDAZAI-OAQYLSRUSA-N 418.932 3.928 0 50 HHAA CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1C(=O)NC1CCCC1 17082921 RTOIUWWMFAMKHX-JKSUJKDBSA-N 404.532 3.897 0 50 HHAA Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1 43136023 VRARULXGQAFMBJ-SFHVURJKSA-N 414.513 3.908 0 50 HHAA O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CCN(C(=O)c1cccnc1)CC2 299768014 HPGBOAJXDRKXQG-QFIPXVFZSA-N 417.553 3.952 0 50 HHAA CCCCC(=O)Nc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1Cl 822815979 NZANWAXCVCGSLX-UHFFFAOYSA-N 412.877 3.968 0 50 HHAA CCC(=O)N1CCC(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)CC1 822529920 YUZWZVJZLXTVEL-HXUWFJFHSA-N 405.970 3.632 0 50 HHAA O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 888105590 VZQJRMWZZMGLIR-ZEQKJWHPSA-N 404.554 3.861 0 50 HHAA CCCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OCC)C2)cc1OCC 170600826 LDXGKBHWMUBYFW-SJLPKXTDSA-N 406.523 3.861 0 50 HHAA O=C(N1CCN(c2ccccc2Cl)CC1)C(O)(c1ccccc1)c1ccccc1 1064851 DIKBTLMDZBXCSA-UHFFFAOYSA-N 406.913 3.925 0 50 HHAA CN(CC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1)C1CCCC1 1704302611 AGECDKFQTNCXMY-VWLOTQADSA-N 404.558 3.824 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1Cl 1110972 WHEIIMHCBRBPMJ-UHFFFAOYSA-N 414.712 3.941 0 50 HHAA CCOc1ccccc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O 824132 PYKSBQUUEUBFKM-UHFFFAOYSA-N 416.421 3.509 0 50 HHAA CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCCCC1 5317688 UGZPQLMDOBTRTE-JXFKEZNVSA-N 411.502 3.689 0 50 HHAA CCOC(=O)N1CCC(N(C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)CC1 11955633 HRPVYDCSOMIUOT-FQEVSTJZSA-N 417.594 3.502 0 50 HHAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2CCc2ccccc2Cl)cc1 12218629 IBNHORSQRWZMJI-HXUWFJFHSA-N 414.933 3.840 0 50 HHAA O=C([C@H]1CC(CCc2ccccc2)=NO1)N1CCCN(c2nc3ccccc3o2)CC1 12245396 UTLGIVUZNJEDHU-JOCHJYFZSA-N 418.497 3.644 0 50 HHAA Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 13124031 LUVGKBBKHDPRTJ-SWLSCSKDSA-N 424.452 3.577 0 50 HHAA Cc1cccc(-c2noc(CNC(=O)c3ccccc3I)n2)c1 13957851 FMIPEAWHYOXDIW-UHFFFAOYSA-N 419.222 3.580 0 50 HHAA CC(C)(C)OC(=O)N1CCCN([C@@H](C(=O)O)c2ccc(Br)s2)CC1 16123836 HFEBOIDJFKSHSJ-CYBMUJFWSA-N 419.341 3.579 0 50 HHAA Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(F)c3)n2)cc1NC(=O)C(C)C 16626208 TYUZBBOKAQCRSF-UHFFFAOYSA-N 422.460 3.591 0 50 HHAA COc1cccc(C(=O)COc2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c1 17987373 GTGBHQGKSNTZNE-IPHXSNPTSA-N 407.466 3.883 0 50 HHAA COc1ccc(CC(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc1 169753499 LNRUKEBAFHGZEE-LJQANCHMSA-N 408.477 3.552 0 50 HHAA COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C)CC3 995603 OGRYFVQYYPBQGG-GFCCVEGCSA-N 400.525 3.837 0 50 HHAA O=C(c1cccnc1)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857705558 MHPLWVXFKOWLPG-JOCHJYFZSA-N 421.541 3.710 0 50 HHAA CC(C)=CCN1CCC2(CC[C@H](Cn3ccnc3-c3cnn4cccnc34)O2)CC1 1875243900 CZGXLRFCBJKRIH-LJQANCHMSA-N 406.534 3.573 0 50 HHAA O=C(O)Cn1ncc2ccc(NC(=O)CCc3ccc(Br)s3)cc21 2325861675 XHZOXQPVHYOWBE-UHFFFAOYSA-N 408.277 3.516 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(Br)cc2)cc1 2325888951 WLVBJBNJGAPOSU-MSOLQXFVSA-N 415.287 3.522 0 50 HHAA Cc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)cc1C 101670038 DQBBYUHYAHLGFZ-CNNODRBYSA-N 412.555 3.804 0 50 HHAA CC(=O)c1ccccc1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 100971409 UXDXBSPAQABXMO-PBFVBANWSA-N 403.434 3.644 0 50 HHAA Cc1cccc(CN2CCC(C(=O)NCc3nc(-c4cccc(C)c4)no3)CC2)c1 67601927 KVYCDZDXKVXCOR-UHFFFAOYSA-N 404.514 3.882 0 50 HHAA O=C(NCc1nccn1CCCc1ccccc1)N1CC[C@]2(C1)OCc1ccccc12 472774594 QMMCAKKZNHZWTH-RUZDIDTESA-N 416.525 3.857 0 50 HHAA C[C@@H](Cc1cccc(F)c1)C(=O)N(C)[C@@H](C)CNC(=O)[C@H](C)Cc1cccc(F)c1 252537752 MFRDBWRXVUABJC-SQNIBIBYSA-N 416.512 3.985 0 50 HHAA Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 884706 LJOYNDBBBDAMAC-NVXWUHKLSA-N 418.423 3.515 0 50 HHAA Cc1cc(OCn2ccc(C(=O)N[C@@H](C)c3cn(C)nc3C)n2)cc(C)c1Cl 2798024 DPKCEHDFEOKSJD-AWEZNQCLSA-N 401.898 3.723 0 50 HHAA CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1 435591904 DZVPHNXMEVUYMS-QAQDUYKDSA-N 404.507 3.532 0 50 HHAA Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)n1 432315212 YMMAWDXSWTVZOH-SFHVURJKSA-N 423.444 3.774 0 50 HHAA CN(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 241644224 PPIFJJRPCVRHPA-LJQANCHMSA-N 411.502 3.621 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1nc2c(s1)C[C@@H](C)CC2 17082529 XRXCAWYLSKTQPA-LBPRGKRZSA-N 402.545 3.871 0 50 HHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 239165012 NIAPZOQRXCGEFV-ZTQWMGCKSA-N 416.543 3.604 0 50 HHAA COCc1oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)OC 4148275 IZQJYYWCCRGSTI-UHFFFAOYSA-N 409.847 3.820 0 50 HHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 239165011 NIAPZOQRXCGEFV-GAYZEQNSSA-N 416.543 3.604 0 50 HHAA O=C(NCc1ccc(Cl)cc1)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 263616873 KZNRFUVSSQNGEZ-KRWDZBQOSA-N 403.269 3.786 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H](c3cccnc3)N3CCCCC3)cc2)n1 952977562 WAJRIAGLDAVSDS-DEOSSOPVSA-N 417.557 3.900 0 50 HHAA CC(=O)N(c1nc(CN2CCOc3ccc(Br)cc32)cs1)C1CC1 170604692 HLJYXAUDVZCBPX-UHFFFAOYSA-N 408.321 3.820 0 50 HHAA O=C(c1cn(-c2ccccc2Cl)nn1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 731055368 PBDQYBAFYGBHEX-FQEVSTJZSA-N 414.868 3.646 0 50 HHAA CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(C(=O)O)cc1 684677 BYAODLCHIRSVLB-IBGZPJMESA-N 422.466 3.793 0 50 HHAA CCOC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc(C(N)=O)c1C 1117153 CYLOUXSUHVXTJU-BQYQJAHWSA-N 410.854 3.777 0 50 HHAA COc1cc(OC)c(OC)cc1/C=C1\SC(=O)N(c2ccccc2OC)C1=O 1147436 QTWCOHVJXWMIAC-ZDLGFXPLSA-N 401.440 3.962 0 50 HHAA C/C(Cl)=C/Cn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 842266 QDGMILPFMPOSQM-YFHOEESVSA-N 411.314 3.512 0 50 HHAA aggregator COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)O)c(Cl)c3N2)cc1OC 867082 JJDPPMCQLFWVDK-KWQFWETISA-N 405.760 3.912 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)cc1Br 881868 QXMJHDWVZDIQCH-UHFFFAOYSA-N 422.304 3.543 0 50 HHAA COCCCNC(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1C(C)C 11788563 UZPOHHNELINBHV-UHFFFAOYSA-N 411.481 3.667 0 50 HHAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2cccc(N3CCNC3=O)c2)c1C 12576225 ARMAWWWBZOPYOY-MRXNPFEDSA-N 403.486 3.510 0 50 HHAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1nc(-c3ccccc3)cs1)C2 14732582 LLCYIJKHFKEVCQ-QGZVFWFLSA-N 423.586 3.766 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1ccccc1OC)C2 14754794 DRMNGJMLPYOREK-LJQANCHMSA-N 410.562 3.575 0 50 HHAA CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(CC(C)C)CC2 14755698 CPRLCPFNXOEAHM-UHFFFAOYSA-N 414.594 3.815 0 50 HHAA O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1 14993512 KOYGLJGVSMRCAA-GOSISDBHSA-N 400.906 3.782 0 50 HHAA c1ccc(CN2CCC(N[C@H]3CCCN(c4nc5ccccc5s4)C3)CC2)nc1 15064773 QGBFKGLNTWLXCX-FQEVSTJZSA-N 407.587 3.914 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(C)ccc3C)n2)ccc1C 16650630 RLBNEHAUBNMYDH-KRWDZBQOSA-N 418.497 3.994 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN3CCC[C@@H]3C2)c(F)c1 19221087 FONMVGHTTJLKOH-HXUWFJFHSA-N 406.505 3.967 0 50 HHAA O=C(CSc1ccncc1)NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 20322331 OQDCSOBXEAYNKJ-HSZRJFAPSA-N 419.550 3.926 0 50 HHAA Cc1cc(N2CCC(NC(=O)N[C@@H]3CCOc4c(Cl)cccc43)CC2)nc(C)n1 489279806 RTCLMSWQSVEBJG-GOSISDBHSA-N 415.925 3.539 0 50 HHAA Cc1oc2cc(OC[C@H]3C[N@]3Cc3cnn(C)c3)ccc2c(=O)c1-c1ccccc1 1875382284 XCXSPRNYVJWKGR-WINIVTDRSA-N 401.466 3.765 0 50 HHAA CC(C)CCCN1CCC[C@@]2(CCCN(C(=O)CCCn3cccn3)[C@@H]2C)C1=O 2100480948 XKWOWGDQKBJFKJ-OFNKIYASSA-N 402.583 3.719 0 50 HHAA CC[C@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1c1ccccc1 2325793673 CZGFGVXVFNTUKA-HLAWJBBLSA-N 400.563 3.596 0 50 HHAA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C(N)=O)C1 239235889 WXURSZVIEHWLFE-HZSPNIEDSA-N 418.559 3.994 0 50 HHAA O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 675237 YBBDZAYHOGBTCL-UHFFFAOYSA-N 408.907 3.532 0 50 HHAA CCN(CC)C(=O)[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1 1142110 JWMGAPYNWOHIEK-OAHLLOKOSA-N 412.925 3.554 0 50 HHAA Cc1ccc(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c(C)c1 1210974 UMZWFLZFCICOHH-UHFFFAOYSA-N 409.445 3.799 0 50 HHAA CC(=O)c1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 5135299 GZAWXPIBVKTFJG-UHFFFAOYSA-N 407.495 3.603 0 50 HHAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3snnc3C)C2)cc1Cl 12057125 RUPLWBSAAQDKGA-ZDUSSCGKSA-N 422.938 3.780 0 50 HHAA CCOC(=O)CC1(NC(=O)c2cc(COc3cccc(OC)c3)on2)CCCCC1 12058011 WDDOTTUXTGKIQE-UHFFFAOYSA-N 416.474 3.648 0 50 HHAA Cc1c(C(=O)NCc2ccc(F)c(F)c2)sc2ncnc(NC[C@@H]3CCCO3)c12 12078862 XFNRTSWXGZNGPL-ZDUSSCGKSA-N 418.469 3.799 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)NC[C@@H]1Cc2cccc(-c3cccnc3)c2O1 12079158 RLMUTDJEPDMGAW-IBGZPJMESA-N 402.450 3.530 0 50 HHAA Cc1cc2cc(CNC(=O)[C@@H]3CCC(=O)N(CCCc4ccccc4)C3)ccc2[nH]1 20515307 QFVQAMUMIMWWKY-OAQYLSRUSA-N 403.526 3.964 0 50 HHAA CN(Cc1nc(-c2ccccc2)no1)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 20998880 OXHCEUJQKHYEME-UHFFFAOYSA-N 417.469 3.540 0 50 HHAA COC(=O)c1ccc(CN(C)C[C@H]2CCCN(CCc3ccc(OC)cc3)C2)cc1 55182723 XFTGIUVHKCGTJK-JOCHJYFZSA-N 410.558 3.868 0 50 HHAA C[C@]1(NC(=O)CN2CCN(c3ccccc3)CC2)CCCC[C@@H]1c1ccc(O)cc1 55552696 QJDUGJCDLGRUEZ-NOZRDPDXSA-N 407.558 3.747 0 50 HHAA Cc1c(NCc2cccnc2)cccc1C(=O)N[C@@H](C(=O)N(C)C)c1ccccc1 65369909 KYSGRYWNADQDDG-JOCHJYFZSA-N 402.498 3.561 0 50 HHAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(CC(C)C)cc1)CC2 91896448 ZUOVVWKMZAJGLN-UHFFFAOYSA-N 400.563 3.766 0 50 HHAA COc1ccccc1CC(=O)N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169753493 WGNFGIQNTIRGQY-LJQANCHMSA-N 408.477 3.552 0 50 HHAA COc1ccccc1-c1noc(-c2nnn3c2CO[C@@H](c2ccc(C)cc2C)C3)n1 169759067 LYMPHFKNTKRARR-LJQANCHMSA-N 403.442 3.892 0 50 HHAA Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)c1 169772944 RNHMIIKKIZLSSD-LBPRGKRZSA-N 413.275 3.625 0 50 HHAA CCOc1cc(C)ccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1 225540834 KHLNSUNKAATNHB-UHFFFAOYSA-N 408.951 3.866 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 238881696 BBDZXTPMYXECLD-VAMGGRTRSA-N 406.463 3.808 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(c6ccccc6Cl)[C@@H]45)[C@H]3C2=O)cc1 248140633 PTFIIWPTYOUWQC-GKYHAWLYSA-N 422.868 3.523 0 50 HHAA CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C)nc2Cl)c(Cl)c1 328596143 VAWLDRLOKQZHCU-UHFFFAOYSA-N 403.287 3.603 0 50 HHAA CC(=O)Nc1sc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)nc1-c1ccccc1 1633547117 LZSCLXVUZFRONF-INIZCTEOSA-N 406.467 3.582 0 50 HHAA CCN(CC)c1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)cc1 1704353145 SCHPMUPURWMUCD-HYBUGGRVSA-N 403.526 3.757 0 50 HHAA COCCN(C(=O)[C@@H](O)[C@@H](C)NC1CCCC1)[C@@H](C)c1cccc(C(F)(F)F)c1 1875316393 NJAQQVJQGCLBJS-VCBZYWHSSA-N 416.484 3.523 0 50 HHAA C[C@H]1Cc2cc(S(=O)(=O)NC(=O)c3cccc(-n4cccc4)c3)cc(Cl)c2O1 1875343506 LICXDAMDKDXNJE-ZDUSSCGKSA-N 416.886 3.573 0 50 HHAA COCCOCc1cccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 2325711542 UCRIQAOCLJOYQB-LJQANCHMSA-N 423.962 3.899 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3c[nH]nc3-c3cccc(F)c3)C2)c2cccc(=O)n21 2356159053 JTSNZQNMUXEJGL-QKLQHJQFSA-N 420.488 3.978 0 50 HHAA COC(=O)CCc1c(Br)cc(Br)c(N)c1Br 2532453 PCGRAKQFASYOCI-UHFFFAOYSA-N 415.907 3.662 0 50 HHAA COc1ccc(NC(=O)/C=C/c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1 100933824 IKDINODEEUYCNC-UQNUAMDYSA-N 414.461 3.659 0 50 HHAA CCOC(=O)c1cnn(-c2ccccc2Cl)c1CNCc1cn2ccsc2n1 20599278 BDDGGXZHVVOJRI-UHFFFAOYSA-N 415.906 3.701 0 50 HHAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(CC2=CC[C@H]4C[C@@H]2C4(C)C)CCO3)CC1 12211121 OBTIDFSBXSMDHQ-ZEQRLZLVSA-N 423.601 3.538 0 50 HHAA COC(=O)c1c(NC(=O)c2ccn(COc3ccccc3F)n2)sc(C)c1C 2786188 CQFQHLSLOAWECS-UHFFFAOYSA-N 403.435 3.776 0 50 HHAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N3CCCCC3)nc2c1=O 72478776 MABAFFFKOVJSEO-UHFFFAOYSA-N 408.477 3.894 0 50 HHAA C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CC[C@H](C)C2 17087444 FVNWFVJGTYFRCU-STQMWFEESA-N 406.548 3.985 0 50 HHAA Cc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2ccccc2)C4)n1 299784782 HZTJTDMGCLQFLY-SFHVURJKSA-N 416.550 3.857 0 50 HHAA COc1cccc(Oc2ccc(NC(=O)Cn3ccc(=O)c4ccccc43)cn2)c1 824788007 UWTPCDJQJSEAAO-UHFFFAOYSA-N 401.422 3.836 0 50 HHAA CCc1ccc(OCC(=O)NC2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1 170648629 RAAISYQENRTMLJ-UHFFFAOYSA-N 400.494 3.556 0 50 HHAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 170636602 SGWBLBLPDDZRPY-SPGJAERMSA-N 400.288 3.627 0 50 HHAA CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC1CN(C(=O)OC(C)(C)C)C1 170601578 CIJWEBHZLAOZOK-UHFFFAOYSA-N 415.456 3.621 0 50 HHAA CN1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2)CC1 1506403818 ZLZIVWQGVCTSTL-IBGZPJMESA-N 404.558 3.749 0 50 HHAA COc1ccccc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 1167167 UXBINRPQXJEXPH-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCN2CCCCC2=O)n1 11937135 XQRLJCPFZQZYRA-RUZDIDTESA-N 416.525 3.748 0 50 HHAA COC[C@@H]1CCCCN1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 12314230 DMEUTGORUMSANO-KRWDZBQOSA-N 404.580 3.803 0 50 HHAA COc1ccccc1CC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 13595809 AVNOMTFDJGKWLB-SFHVURJKSA-N 412.505 3.712 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)Nc2nc(C)nn2[C@H]1c1ccc(OC)c(OC)c1 17014874 FAQMQPARNPTGGG-NRFANRHFSA-N 420.469 3.593 0 50 HHAA C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(CC1CCCCC1)CC2 19781896 OSAZWIGVQVQFPI-LJQANCHMSA-N 409.578 3.527 0 50 HHAA C[C@]1(CNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)OCCc2ccccc21 1254685950 HHMPDFKCCHPAPB-UYAOXDASSA-N 408.420 3.526 0 50 HHAA Cc1nn(C)c(-n2cncn2)c1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 1875252816 KVJSKTQXDBKSCJ-UHFFFAOYSA-N 407.503 3.808 0 50 HHAA Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 671204 UJXRSYPECKUIGW-UHFFFAOYSA-N 402.516 3.577 0 50 HHAA O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCCC1 821106 XTGQSFNKNLYKAB-UHFFFAOYSA-N 413.326 3.811 0 50 HHAA COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1cc(F)ccc1F 1170805 WGDNNIOOZJOFTD-UHFFFAOYSA-N 405.422 3.740 0 50 HHAA COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1 1320588 SEQNNIMUKZLTJO-DEOSSOPVSA-N 405.425 3.842 0 50 HHAA COc1ccc(-c2c(C(=O)O)cc(O)c3c(OC)c(OC)c(OC)cc23)cc1OC 1672460 GFELIWYJKIFMIG-UHFFFAOYSA-N 414.410 3.954 0 50 HHAA COC(=O)c1sc2ncn3nc(-c4ccc(OC(F)F)c(OC)c4)nc3c2c1C 2799194 JZOOGJGSCDFJFU-UHFFFAOYSA-N 420.397 3.711 0 50 HHAA CCC(=O)N1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2Cl)CC1 4820281 JVYDOKGWLNXWJB-UHFFFAOYSA-N 413.132 3.707 0 50 HHAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)c2ccc4nc(C)[nH]c4c2)O3)n1 11789453 MCXBIUDDBOFWJH-IBGZPJMESA-N 413.481 3.679 0 50 HHAA COC(=O)c1sccc1NC(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 13324494 MTKBQQHATXNCKT-UHFFFAOYSA-N 423.922 3.546 0 50 HHAA COc1ccc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCC(C)C)cc1 14537887 ZLVSUWRKFVZDCE-UHFFFAOYSA-N 415.578 3.996 0 50 HHAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 14742290 DVVDHLJGIYBTPU-SFTDATJTSA-N 407.558 3.908 0 50 HHAA CSCCN[C@@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 14976207 FSMIRVVKDYXHFX-MRXNPFEDSA-N 411.596 3.608 0 50 HHAA CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1CN[C@H](C)c1nccs1 14997320 PMJDHFYTJBKSLP-GFCCVEGCSA-N 413.528 3.966 0 50 HHAA COc1ccc(/C=C(/NC(=O)/C=C/c2ccccc2)C(=O)NCc2ccco2)cc1 15945303 XHLARBSKAKWTOR-KJNJSDGNSA-N 402.450 3.775 0 50 HHAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccc(Cl)cc2)CC1 19853341 RJPJECYDMREECP-UHFFFAOYSA-N 400.931 4.000 0 50 HHAA CCc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)cc1 20192540 LJPHTNHFGSIJQV-UHFFFAOYSA-N 417.509 3.829 0 50 HHAA O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO)NCCS(=O)(=O)O 27646516 FIAUGPKUCVIKOZ-BWZKLFRGSA-N 413.580 3.718 0 50 HHAA in-vitro Cc1cc([C@H]2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)on1 33269756 CXEGJSNBMYHYHO-CQSZACIVSA-N 405.380 3.899 0 50 HHAA Cc1nn2c(ncc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(Cl)cc1 40397675 AXCSIFJZZSUZBC-UHFFFAOYSA-N 404.861 3.639 0 50 HHAA Cc1ccc2c(C(=O)N3CCC[C@H]3c3nc(C)no3)cc(-c3cnn(C)c3)nc2c1 63855939 WNOSGGVINUGNPP-FQEVSTJZSA-N 402.458 3.612 0 50 HHAA CCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1C 170623997 HSVWWCRYEVTHCX-UHFFFAOYSA-N 402.560 3.912 0 50 HHAA COc1ccc([C@H](CC(=O)Nc2ccc3c(c2)OCO3)c2c(O)cc(C)oc2=O)cc1 253470706 AISGMWORNUOCDF-KRWDZBQOSA-N 423.421 3.552 0 50 HHAA O=C(NCCc1ccccc1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263618592 UNYBRCQUXSNUKW-UHFFFAOYSA-N 400.478 3.580 0 50 HHAA O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1ccc(-n2cnc3ccccc32)cc1 463434056 LYVPQBDFSJKSEM-UHFFFAOYSA-N 409.449 3.875 0 50 HHAA COC(=O)c1ccc2nc(C3CCN(c4ncnc5[nH]cc(Cl)c45)CC3)[nH]c2c1 644163256 MGRJCGXCUUCOQG-UHFFFAOYSA-N 410.865 3.658 0 50 HHAA CC(=O)N(c1nc(COC(=O)/C=C/c2cnccn2)cs1)c1ccc(C)cc1C 740965880 OGWMGSHMJFIJKU-FNORWQNLSA-N 408.483 3.991 0 50 HHAA c1ccc(COC2CC(NCc3cc4ccccc4nc3N3CCOCC3)C2)cc1 766101790 CDIMMJWRQYJPOH-UHFFFAOYSA-N 403.526 3.909 0 50 HHAA CCOc1ccccc1-c1nnc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)o1 1506415535 PCYGYQUPXUBTSW-JKSUJKDBSA-N 412.490 3.503 0 50 HHAA O[C@H]1CN(Cc2cc(CN3CCCC3)cs2)C[C@@H]1Cc1ccnc2ccccc12 1616076615 JHBFOXDUPTYRMU-RDPSFJRHSA-N 407.583 3.928 0 50 HHAA COc1cccc(CN2CCC3(CC2)OCCc2sccc23)c1O[C@@H](C)C(=O)O 1704344561 SNXTZDCIWWJROV-HNNXBMFYSA-N 417.527 3.673 0 50 HHAA CC(=O)N1CCC(N2C[C@H](c3ccc4c(c3)OCO4)O[C@H](c3ccccc3)C2)CC1 1875241277 SSITWIUVLWDNJB-BJKOFHAPSA-N 408.498 3.541 0 50 HHAA Cc1sc2nc(-c3cccnc3)nc(N[C@@H](Cc3ccccc3)C(N)=O)c2c1C 1875253256 NZWAWCLBSBAOIV-KRWDZBQOSA-N 403.511 3.879 0 50 HHAA CCN1CCC[C@@]2(CCCN(C(=O)Cc3nc(-c4ccccc4)oc3C)[C@@H]2C)C1=O 1940198456 VXWSRUNJIZDEJG-KOSHJBKYSA-N 409.530 3.832 0 50 HHAA O=C(O)[C@@H](C[C@H]1CCSC1)NCc1c(Br)cccc1OC(F)F 2325852693 OLIXANLITJRGIK-BXKDBHETSA-N 410.280 3.737 0 50 HHAA O=C(Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C(=O)Nc1cc(-c2ccccn2)ns1 2325872166 KUAUKNRCPHGVHH-YOEHRIQHSA-N 419.510 3.771 0 50 HHAA CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)c1 1076137 VNFGGBYKJKBSSG-UHFFFAOYSA-N 422.572 3.669 0 50 HHAA CCOC(=O)[C@@H](Oc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C)c1ccccc1 1119902 RPPXQTGHESHQQJ-QFIPXVFZSA-N 424.449 3.809 0 50 HHAA biogenic Cc1cccc(C)c1OCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 2171946 GHFMWPHLYJJKFQ-QHCPKHFHSA-N 416.521 3.840 0 50 HHAA CC(=O)Nc1cccc(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)c1 6949877 AADKDWKAXPQFJM-UHFFFAOYSA-N 404.451 3.634 0 50 HHAA COc1ccc(/C=C2\NC(=S)N(c3ccc(Br)cc3)C2=O)c(OC)c1 9295897 PHNZPQMKWINQHJ-DHDCSXOGSA-N 419.300 3.729 0 50 HHAA O=CSCCCCCCCCCCCOCCOCCOCCOCC(=O)O 71773481 HQIKYCFDGNDPNW-UHFFFAOYSA-N 422.584 3.572 0 50 HHAA C[C@@H]1OP(=O)([C@H](NS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O[C@H]1C 34132095 YHWCSVVPGYKABM-QXEWZRGKSA-N 422.654 3.678 0 50 HHAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3Cc5ccccc5C3)[C@H]4C2=O)cc1 77471467 RCRCZZOJNWBBFE-LNEBKTTKSA-N 414.505 3.639 0 50 HHAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)n2)c(F)c1 49551238 HDRJTOJRYVSJGT-UHFFFAOYSA-N 421.350 3.716 0 50 HHAA Cc1nc2ccccn2c1-c1nnc2sc(-c3cncc(Br)c3)nn12 227143833 HWXGQKCLAKTQBF-UHFFFAOYSA-N 412.276 3.633 0 50 HHAA Cn1cccc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCCN(C2CCCC2)C1 95499036 VSFHVPXWODAIKA-OAQYLSRUSA-N 400.611 3.608 0 50 HHAA Cc1nn(C)c(C)c1CN(C(C)C)S(=O)(=O)c1cc(-c2ccno2)sc1C 952964800 PMTPUBOMCFIIAF-UHFFFAOYSA-N 408.549 3.661 0 50 HHAA CCCn1c(SCc2cnc3ccccc3c2)nc2cc(S(N)(=O)=O)ccc21 408515694 DBJJVQQHIGBFOQ-UHFFFAOYSA-N 412.540 3.934 0 50 HHAA CCc1cc(C(=O)O)c(NC(=O)c2ccccc2I)s1 975670 NJHMMNSQCPQHOA-UHFFFAOYSA-N 401.225 3.866 0 50 HHAA O=C1c2ccccc2C(=O)N1C[C@H](O)CN1c2ccccc2Sc2ccccc21 2294069 JIVUHWVKZLCEIE-OAHLLOKOSA-N 402.475 3.946 0 50 HHAA O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 1164410 JUWFNGBNLRXKCK-UHFFFAOYSA-N 410.470 3.825 0 50 HHAA COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2c[nH]cn2)c1OC 11663334 GCJZBAFRGWCNCL-NRFANRHFSA-N 402.454 3.696 0 50 HHAA Cn1cc(CN2CCC3(CC2)C[C@@H]3C(=O)NCC2(c3ccccc3)CCCC2)cn1 11881637 TWNLWEGXBIHYRJ-JOCHJYFZSA-N 406.574 3.650 0 50 HHAA C[C@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1ccc(Br)cc1 11903526 MHPFIWHCJVXVAY-JTQLQIEISA-N 408.321 3.531 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1coc2c1C(=O)CCC2 12228885 DVFRAZPJTYWSSO-UHFFFAOYSA-N 412.505 3.964 0 50 HHAA CCOCCCNC(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 12574176 SRCZNFCJVFQYKF-UHFFFAOYSA-N 404.551 3.637 0 50 HHAA Cc1cc(C)nc(SCC(=O)Nc2nnc(SCc3ccccc3)s2)n1 2862430 NITVJOOATJDOGG-UHFFFAOYSA-N 403.558 3.968 0 50 HHAA Cc1nc(O)cc(CN2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)n1 1857706169 CJYDBDBMKWGQDO-JOCHJYFZSA-N 410.562 3.562 0 50 HHAA O=C(N[C@@H]1c2ccccc2CC12CCOCC2)N[C@H]1COc2c(F)cc(F)cc2C1 1263715867 KVSTYVKBYIYLGB-DYESRHJHSA-N 414.452 3.662 0 50 HHAA O=C(NC1(C(=O)O)CCC(F)(F)CC1)c1cccc(-n2nccc2C(F)(F)F)c1 2325876924 FDXKWKKNSZCFRY-UHFFFAOYSA-N 417.334 3.654 0 50 HHAA COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@H]3C2=O)cc1 1232699 LYUAKDPPOCCQEU-AYIBLLACSA-N 423.468 3.835 0 50 HHAA biogenic CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 2859200 DJYZBIARJIRAKQ-JXFKEZNVSA-N 414.527 3.827 0 50 HHAA O=C(/C=C/c1cccc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 11327657 DXZQWQABUFKFTK-VAWYXSNFSA-N 422.506 3.513 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1 11936475 KIDWAHSOZDQFTR-GOSISDBHSA-N 419.481 3.909 0 50 HHAA COCCn1c(CN2CCCCCCC2)cnc1S(=O)(=O)CC1CCCCC1 12194966 VSOVXQQFXWQZPE-UHFFFAOYSA-N 411.612 3.650 0 50 HHAA Cc1ccn2c(CNCc3cc(C(C)(C)C)[nH]n3)c(C(=O)N3CCCCCC3)nc2c1 12301262 AOALHPSZXIHZCA-UHFFFAOYSA-N 422.577 3.969 0 50 HHAA O=C(Cc1ccc(F)c(F)c1)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 14882631 NRLZGSOELMQNFU-MRXNPFEDSA-N 415.827 3.738 0 50 HHAA COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@H](N1CCCCC1)C3 14988904 YHLBYIIULYRIQW-KRWDZBQOSA-N 409.555 3.858 0 50 HHAA Cc1ccc(CN2CCN(C(=O)c3ccn(COc4ccc(C)cc4C)n3)CC2)cc1 20028719 VXFPAVMTBQTWTF-UHFFFAOYSA-N 418.541 3.803 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H]4CN(C(=O)C(C)C)CC[C@H]43)cc2)n1 20586755 JRPPLOWKSWZTMR-DHIUTWEWSA-N 422.573 3.657 0 50 HHAA CCOc1ccc(CN2CCN(Cc3cccc4cnccc34)C[C@@H]2CCO)cc1 22852458 MXOZGQXHQQEDIK-QHCPKHFHSA-N 405.542 3.702 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO 22932772 GMPZRIQJPXMLQF-IBGZPJMESA-N 411.571 3.764 0 50 HHAA CCCS(=O)(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 95531187 WHWVDENQSKYNSX-AWEZNQCLSA-N 402.944 3.519 0 50 HHAA COc1ccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)no2)c(OC)c1 169769417 YKZJNYNECRYFCN-IBGZPJMESA-N 419.441 3.592 0 50 HHAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(Cl)c4)ccn3n2)c(C)c1 169775735 ADZFJUYRWFRWRY-UHFFFAOYSA-N 420.900 3.863 0 50 HHAA CCOC(CN(CC(=O)N[C@H](C)c1ccccc1OC)c1ccccc1)OCC 225388361 BGFULFJHLNPZKT-GOSISDBHSA-N 400.519 3.778 0 50 HHAA CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C(=O)OC)c2cccc(Cl)c2)C1 229356086 LHUXTFSETGOBKJ-GDBMZVCRSA-N 420.859 3.677 0 50 HHAA CC[C@H](C)c1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)cc1 242167670 WYNRBVDTCKFSSS-KXBFYZLASA-N 404.557 3.902 0 50 HHAA CC[C@H](C)[C@@H](NC(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)c1nc2ccccc2[nH]1 252478255 AGYDWFINBUOKQY-FKIZINRSSA-N 405.506 3.821 0 50 HHAA Cn1nc(Br)c2c(N[C@H](CO)c3c(Cl)cccc3Cl)ncnc21 252479408 BEHQSWFYYCUMRT-SECBINFHSA-N 417.094 3.578 0 50 HHAA CN(C)c1ccc(C(=O)N2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1 299765726 CHCYZSHTOYLWEH-UHFFFAOYSA-N 419.447 3.646 0 50 HHAA Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2ccnc(OC3CCCCC3)c2)c1 497584528 JBWQZUVQQFQMJG-UHFFFAOYSA-N 419.485 3.638 0 50 HHAA Cc1c(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)cccc1NC(=O)C1CCCC1 952868700 CVRUQBIEXKROOH-UHFFFAOYSA-N 414.527 3.708 0 50 HHAA Cc1ccc2nc(COCC(=O)N3CCC([C@@H](O)CCc4ccccc4)CC3)[nH]c2c1 952985999 FSBYGYCVBYNXTO-QHCPKHFHSA-N 421.541 3.620 0 50 HHAA Cc1cc2c(cc1CN1CCC[C@]3(CCc4c(O)nc(C(C)(C)C)nc43)C1)OCO2 1857690359 IOBUYCZWOQFUBU-DEOSSOPVSA-N 409.530 3.997 0 50 HHAA Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 1875316349 KVCHVDBPCHRFBH-CHWSQXEVSA-N 421.423 3.816 0 50 HHAA CCOCc1nc(-c2csc(-c3ncc[nH]3)n2)n(CCOc2ccccc2C)n1 1875348449 QQKMKOFYSOQXKM-UHFFFAOYSA-N 410.503 3.716 0 50 HHAA O=C(NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc2n[nH]cc2c1Cl 2325861181 IBQSHKQRRGDUJS-LLVKDONJSA-N 403.269 3.653 0 50 HHAA CCCN1CCC[C@@]2(CCCN2Cc2ccc(OC)c(CN(CC)CC)c2)C1=O 2356166543 BYDIJNGULVPTAR-XMMPIXPASA-N 401.595 3.904 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 916094 DLEGNWPTPDAKCT-UHFFFAOYSA-N 422.934 3.603 0 50 HHAA COC(=O)c1cc(Cl)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 943581 YPQWBEOGNMKRQB-SOFGYWHQSA-N 405.834 3.804 0 50 HHAA O=C(Oc1ccc(Br)cc1C(=S)N1CCOCC1)c1ccccc1F 1161756 DQFDEAPANOMHIL-UHFFFAOYSA-N 424.291 3.815 0 50 HHAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)C(F)(F)F)cc1 4064578 LUTSGRVECBVQAA-AWEZNQCLSA-N 422.350 3.844 0 50 HHAA CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cccc2ccccc12 5880680 IEPKKLLSNGJWFL-UHFFFAOYSA-N 420.600 3.788 0 50 HHAA O[C@]1(C(F)(F)F)CC(C2CC2)=NN1c1nc(-c2ccco2)cc(C(F)(F)F)n1 6926675 QAHPPRUPLFKTHO-AWEZNQCLSA-N 406.286 3.982 0 50 HHAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)c3ccsc3)CC2)c1 11938181 PYJLGIYHDMDEEF-UHFFFAOYSA-N 421.522 3.757 0 50 HHAA Cn1ccnc1CN1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 12206894 MDHCNOYJDFFBKH-UHFFFAOYSA-N 416.953 3.743 0 50 HHAA O=C(c1cccnc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12430089 KJNWHVLLYGEEOV-VWLOTQADSA-N 419.569 3.582 0 50 HHAA CC(=O)N1CCC(C(=O)N2CC[C@]3(CCCN(CCC4CCCCC4)C3)C2)CC1 12714079 UJQCWYGHRSOCJR-DEOSSOPVSA-N 403.611 3.530 0 50 HHAA COc1ccc(NC(=O)c2cn(C3CC3)c3c(OC)c(F)c(F)cc3c2=O)cc1 30819401 CJAJWPDSZMFOBC-UHFFFAOYSA-N 400.381 3.884 0 50 HHAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccccc1OC(F)F)C2 95381323 IRGKIGWNOUIPOP-DOTOQJQBSA-N 400.425 3.665 0 50 HHAA COc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 95496390 GEUIPBZWYNKHLM-FQEVSTJZSA-N 420.490 3.852 0 50 HHAA COC(=O)c1cccc(CS(=O)(=O)Nc2ccc3c(c2)CN(CCC(C)C)C3)c1 170609153 RBRIKKXKSLNFFC-UHFFFAOYSA-N 416.543 3.777 0 50 HHAA CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 238882125 CKVHTTDFJBGBCN-JYJNAYRXSA-N 415.486 3.520 0 50 HHAA biogenic Cn1c(-c2ccc(Cl)c(Cl)c2)cn(CC(=O)c2ccc3c(c2)OCO3)c1=N 334157602 RCIBFIBGSLAHNJ-UHFFFAOYSA-N 404.253 3.891 0 50 HHAA O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@H]1COc2ccccc2O1 484015311 VTFSVSWLYALJNJ-AUSIDOKSSA-N 417.440 3.873 0 50 HHAA O=C1CCCc2cc(S(=O)(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)ccc2N1 732988657 WFORXHVSVCKPSU-IBGZPJMESA-N 406.454 3.765 0 50 HHAA Cc1cccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2cc(-c3cc[nH]n3)oc2C)c1 825216202 NBVBJEPLYFMHFG-GOSISDBHSA-N 415.515 3.656 0 50 HHAA O=C(CN1CCOc2ccccc2C1)N(CCc1ccc(F)cc1)Cc1cccnc1 826583635 BRLLZQHNIMYTJL-UHFFFAOYSA-N 419.500 3.687 0 50 HHAA CCC(=O)c1ccccc1NC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O 1438205845 BXASXFHGFGTXSV-SFHVURJKSA-N 410.495 3.636 0 50 HHAA O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cc(-c2ccc3ccccc3c2)on1 1775975062 CRHZHAWPWADZMF-OAQYLSRUSA-N 417.465 3.891 0 50 HHAA COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cnc3[nH]c(C)nc3c2)c1 1875263647 FYBSVIURCVOPAD-QFIPXVFZSA-N 416.481 3.651 0 50 HHAA O=C(Nc1cnc2c(F)cccc2c1)C(=O)N[C@@H](Cc1cccnc1)C1CCCC1 1875300253 UIVHXWNFYFSCII-FQEVSTJZSA-N 406.461 3.625 0 50 HHAA COCCN1CCC[C@@]2(CCCN2C(=O)Nc2ccc(Cl)cc2Cl)C1=O 2356150029 IRTSNQVOJPSTPO-GOSISDBHSA-N 400.306 3.629 0 50 HHAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 853935 JUVNOQZQZGPOCX-RBBKRZOGSA-N 422.481 3.616 0 50 HHAA biogenic CCc1sc(NC(=O)CS(=O)(=O)Cc2ccccc2)nc1-c1ccccc1 1114384 MGJRDJPRYLHPHS-UHFFFAOYSA-N 400.525 3.926 0 50 HHAA CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCc2ccccc2)c1 4549967 NCJMEKZCQDIVLX-FQEVSTJZSA-N 412.511 3.800 0 50 HHAA C[C@@H]1CN(C(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)c2ccccc2O1 6841985 RKWHVPIRQXGNGD-LJQANCHMSA-N 421.541 3.855 0 50 HHAA CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC)cc2)c(O)c2ccccc21 100678552 OMNNTRPMFKHCCN-UHFFFAOYSA-N 408.454 3.936 0 50 HHAA Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1C 20109752 AQCNMYZJMOSNAP-HNNXBMFYSA-N 406.404 3.746 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCO 20601268 FMCQCQCOAYGEEY-QHCPKHFHSA-N 405.542 3.702 0 50 HHAA O=C(NCc1ccco1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccco1 22184658 QANGBKKLWGVVAJ-LFIBNONCSA-N 415.243 3.722 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)c3cnn(C(C)C)c3n2)cc1 443001354 OZOCLAZNNYNTLK-IPPWWJLBSA-N 416.525 3.829 0 50 HHAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2cc(C3CC3)n[nH]2)cc1 91593142 QPDSMXRJDPKOMR-HXUWFJFHSA-N 405.502 3.925 0 50 HHAA Cn1cnnc1C1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1 302933505 HSSLUTGUXFBXMN-UHFFFAOYSA-N 417.351 3.796 0 50 HHAA Cc1c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)cnn1-c1ccccc1F 170601267 JEWVZYICJVKJPW-QAPCUYQASA-N 416.497 3.838 0 50 HHAA C[C@@H](C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1cn(C)c2ccccc12 772838289 AEMNCMJBJOWZHN-YJYMSZOUSA-N 418.415 3.940 0 50 HHAA O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 791981 OPHPXUHKGLEBIG-QGZVFWFLSA-N 410.967 3.747 0 50 HHAA CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1 824126 ILFRPPYEVBXUPT-MRXNPFEDSA-N 402.516 3.901 0 50 HHAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)c1 1775980906 KXEJVJAJMIOOEO-GOSISDBHSA-N 403.519 3.616 0 50 HHAA COC[C@H]1CCCCN1Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C 11663199 SSJYUVSVCAPHAZ-HXUWFJFHSA-N 419.591 3.514 0 50 HHAA COc1ccc(/C=C/C(=O)N(C)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1OC 11815886 KLOLXUPXDLHSIL-UFSNDUKISA-N 420.553 3.807 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1=O 11968028 HLVQYYBYHOSCLW-INIZCTEOSA-N 415.509 3.787 0 50 HHAA CC(C)Cc1ccc(CN2CCC3(CC[C@@H](CNC(=O)c4ccnn4C)O3)CC2)cc1 12041673 ZEZMMYIKNQHIBA-QFIPXVFZSA-N 424.589 3.562 0 50 HHAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 12298198 TZSKLWRNYKQJCG-HNNXBMFYSA-N 400.486 3.747 0 50 HHAA CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)CCc2cnccn2)C1 12455297 YURZLUKLBDBPJY-JHEAYKPVSA-N 407.514 3.685 0 50 HHAA COCCN1C(=O)N(Cc2cccc3ccccc23)C(=O)C12CCN(CC(C)C)CC2 14744458 ZXXMXKWANAUGNU-UHFFFAOYSA-N 423.557 3.741 0 50 HHAA O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCc1csc(Cc2ccccc2)n1 14982271 AEQWFJVZASBNED-HSZRJFAPSA-N 423.538 3.615 0 50 HHAA Cc1cccc(NC(=O)CCC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 15070624 OEGXSGMOHOULEG-UHFFFAOYSA-N 404.507 3.954 0 50 HHAA C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nnc2ccc(-c3ccccc3)nn12 169778665 ONKMEFZZPQGRRU-CQSZACIVSA-N 407.861 3.528 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 2886390 IGQLWZGIUIWVEQ-UHFFFAOYSA-N 414.458 3.952 0 50 HHAA O=C(Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21)N1CCCC1 2497575 BUVJNPGWLWISRO-UHFFFAOYSA-N 403.198 3.771 0 50 HHAA CCCn1nccc1C1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)CC1 225710705 JZWNFZWEFZRUEJ-QFIPXVFZSA-N 410.562 3.762 0 50 HHAA CC(C)c1c(NC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 433105716 REWNVFWUTOCHNA-AWEZNQCLSA-N 424.954 3.548 0 50 HHAA C[C@@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)N(C)Cc2nc3ccccc3[nH]2)on1 12150000 ZBQBDOJCLJSINN-AWEZNQCLSA-N 418.453 3.898 0 50 HHAA N[C@H](Cc1n[nH]c2ccccc12)C(=O)N[C@H]1CCCOc2c1ccc1ccccc21 1875351962 OIAGJTXQUMMBCX-UXHICEINSA-N 400.482 3.616 0 50 HHAA CCOC(=O)c1c(NC(=O)c2cccc3cccnc23)sc(C(=O)N(C)C)c1C 2325712558 VCTXSRYAUOJYJM-UHFFFAOYSA-N 411.483 3.736 0 50 HHAA O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc2ccccc12 1141456 ZHBJKLSOOAGNNO-UHFFFAOYSA-N 419.300 3.519 0 50 HHAA COc1ccc(C(=O)COC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1 2984752 YFEFBNKWEUJTHC-LJQANCHMSA-N 403.862 3.529 0 50 HHAA CCOC(=O)c1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccccc32)cc1 8588508 VBIIEDBDMCADLN-UHFFFAOYSA-N 417.465 3.850 0 50 HHAA Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)[C@@H]2CCCO2)c1C(=O)OC(C)C 2763266 QFTYTWMUCHWFFZ-HNNXBMFYSA-N 416.499 3.992 0 50 HHAA Cc1nn(Cc2ccc(C(=O)Nc3nnc(C4CC4)s3)o2)c(C)c1Br 2780910 QPYDAYHORNOHRL-UHFFFAOYSA-N 422.308 3.885 0 50 HHAA CCOc1ccc(CN2CCN(Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)cc1 36385715 FYLLKYZNUBYPTL-OAQYLSRUSA-N 407.558 3.944 0 50 HHAA Cn1cc(CN2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c(-c2ccccc2)n1 39532076 ILHKSUJDCQOOLT-OAQYLSRUSA-N 404.514 3.935 0 50 HHAA C[C@@H](C(=O)Nc1cc(F)ccc1F)n1ccc(C(=O)Nc2cc(F)ccc2F)n1 20617003 OMFIQBWKPPEUJP-JTQLQIEISA-N 406.339 3.892 0 50 HHAA Cc1sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)c(C(=O)NC2CCCC2)c1C 239248034 XXEGYENHXBILJS-LBTBCDHLSA-N 416.543 3.889 0 50 HHAA O=C(OCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 239090987 HOBQGCIXASHARF-IWQHBPENSA-N 413.832 3.509 0 50 HHAA CSc1ccccc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccoc1)C2 299780900 AGTANXJIMZTQFI-UHFFFAOYSA-N 421.522 3.833 0 50 HHAA COC(=O)[C@@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@H]1c1ccsc1 170601412 GFRSQZAFYQYSSU-NWDGAFQWSA-N 400.283 3.789 0 50 HHAA CN1CCO[C@H]([C@@H](NCc2ccc(-n3ccnc3)c(F)c2)c2ccc(Cl)cc2)C1 222049337 QBEFGYMOMNOSAB-VXKWHMMOSA-N 414.912 3.826 0 50 HHAA COc1cc(CNCCCSC)ccc1OC[C@H](O)CN(C)C1CCCCC1 11765045 PHVTZTIUKLDUSG-HXUWFJFHSA-N 410.624 3.542 0 50 HHAA COC[C@@H]1CCCCN1C(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1 11971438 QLHDMCHZAMLVPB-OFVILXPXSA-N 408.542 3.839 0 50 HHAA CCc1n[nH]c(C(=O)N2CC[C@@]3(CCCN(Cc4cc(OC)ccc4F)C3)C2)c1C 12446571 JSBIGKXKYQFIOR-HSZRJFAPSA-N 414.525 3.557 0 50 HHAA CN1CCC(N(C)C(=O)CC[C@H]2CCCN(Cc3ccc(O)c(Cl)c3)C2)CC1 12574395 YVPCCGKLTFHSNH-QGZVFWFLSA-N 407.986 3.590 0 50 HHAA O=C(CCn1ccc2cc(Br)ccc21)N1CCN(c2ccccn2)CC1 13683899 PLCRACOUQYBDPT-UHFFFAOYSA-N 413.319 3.538 0 50 HHAA CC[C@@H](C)CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 14534333 QYTGAYMFWTZEOK-HXUWFJFHSA-N 420.557 3.927 0 50 HHAA O=C(NCCSc1cn[nH]n1)c1ccc2oc(CCCc3ccccc3)nc2c1 15064475 LGNKEUPFVSCRFP-UHFFFAOYSA-N 407.499 3.643 0 50 HHAA Cc1cc(-n2cccn2)ccc1CN1CCN(Cc2ccccc2C)[C@@H](CCO)C1 19731373 DYMOQTRCRHWMGE-VWLOTQADSA-N 404.558 3.558 0 50 HHAA COc1ccccc1N1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 19909300 DGSMYRCAOASHKC-QHCPKHFHSA-N 418.537 3.924 0 50 HHAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 2779985 FMSVHPVANMSUPO-UHFFFAOYSA-N 408.888 3.632 0 50 HHAA CCOc1cccc(C(=O)N2CCC3(CC2)OCCc2cc(C(=O)O)sc23)c1 1857694116 BIFDZQALGFXHHN-UHFFFAOYSA-N 401.484 3.549 0 50 HHAA O=C1CCc2ccc(O)c(c2)Oc2cccc(c2)[C@@H]2CN(Cc3cccnc3)C[C@H]2N1 1875241625 CRHNTEYKSVUXHV-FCHUYYIVSA-N 415.493 3.610 0 50 HHAA COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N[C@@H](C)c1ccc2nc(C3CC3)[nH]c2c1 2325861012 CAZZTHFEDDEXCB-YVEFUNNKSA-N 404.470 3.752 0 50 HHAA O=C(CCC(=O)c1ccc(Br)s1)N[C@@H](C(=O)O)c1ccc(F)cc1 2325876765 APPMNBOUATUDMR-OAHLLOKOSA-N 414.252 3.555 0 50 HHAA CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(F)cc3)cc12 645645 OYEBLTHVNVMMBW-UHFFFAOYSA-N 419.430 3.799 0 50 HHAA Cc1cc(C)cc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 676710 ZCEOIQRBGPFLJL-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 23541973 YKRIALYAHQFTTC-ZDUSSCGKSA-N 400.406 3.690 0 50 HHAA O=S(=O)(c1ccccc1Cn1cncn1)N(c1ccsc1)C1CCCCC1 431608475 YKTRTYFXAXEASW-UHFFFAOYSA-N 402.545 3.916 0 50 HHAA CC[C@@H](NC[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(CCOC)c1)c1ccccc1 328606494 RULTZYYXMMHPQP-XKCSPQBFSA-N 412.578 3.959 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1 72152624 UWTNPZMKRDAFFP-GOSISDBHSA-N 402.450 3.902 0 50 HHAA Cc1c(-c2cc(C(=O)Nc3sc4c(c3C(=O)OC(C)C)CCC4)on2)cnn1C 13641860 QVQVJQXPUMPROT-UHFFFAOYSA-N 414.487 3.751 0 50 HHAA COc1ccc(N2C(=O)[C@H]3[C@@H](c4cccs4)N(c4ccccc4)O[C@H]3C2=O)cc1 135659809 BBDZXTPMYXECLD-XUVXKRRUSA-N 406.463 3.808 0 50 HHAA c1c(CNCC2CCCCC2)c(N2CCN3CCC[C@H]3C2)nc2cc3c(cc12)OCO3 244716282 LMDPGKZJXXVFKN-NRFANRHFSA-N 422.573 3.918 0 50 HHAA CCCN1CCN(C(=O)CCN2Cc3ccccc3O[C@@H](c3ccccc3)C2)CC1 299771798 UXGBKBVMEGVKNJ-XMMPIXPASA-N 407.558 3.567 0 50 HHAA C[C@](Nc1ccccc1)(C(=O)N1CCC(O)(c2ccccn2)CC1)c1ccccc1 952982075 FFQVUEAAHURUJL-XMMPIXPASA-N 401.510 3.919 0 50 HHAA O=C(CCc1nc2ccc(F)cc2[nH]1)N(CCOc1ccccc1)C[C@@H]1CCCO1 952977178 BGBYAIVVMPWQLA-IBGZPJMESA-N 411.477 3.721 0 50 HHAA Cc1csc(CCCNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 170617681 KDEJBRWCAPVMCZ-SJORKVTESA-N 411.493 3.811 0 50 HHAA CC(C)(C)c1ccc2c(c1)CN(C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)CC2 781345963 FHESOSKOMYLADT-HSZRJFAPSA-N 401.572 3.653 0 50 HHAA CC[C@H](C(=O)N(C)Cc1nc(-c2ccncc2)no1)n1cc(C(C)=O)c2ccccc21 1506421946 WSRKMNPWKWQVIH-LJQANCHMSA-N 417.469 3.899 0 50 HHAA CC(C)c1noc([C@@H]2CCCN2C(=O)CCSc2ccc3c(c2)OCCO3)n1 1506402648 JATBTBKVEXHUSX-HNNXBMFYSA-N 403.504 3.810 0 50 HHAA COc1ccccc1/C=c1/sc2nc(-c3ccc(Cl)cc3Cl)nn2c1=O 628873 JPWSXEWRSMDBIM-OVCLIPMQSA-N 404.278 3.681 0 50 HHAA Cc1ncc(CN(CCN(C)C)C(=O)c2cc3c(-c4ccccc4)nn(C)c3s2)[nH]1 1704325563 JYTNNUKDGNXUBF-UHFFFAOYSA-N 422.558 3.537 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 1116584 KVBCIMOAFHKMRD-UHFFFAOYSA-N 418.540 3.671 0 50 HHAA COC(=O)c1ccc(OC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1 5022404 QLBVCVLDEMIUFX-HSZRJFAPSA-N 405.494 3.915 0 50 HHAA O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 11664414 AAZJATQPSYZFEN-HSZRJFAPSA-N 411.452 3.812 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(Cc2cccc(OCCO)c2)C1 12314583 WXMFNKAHJCCSQN-DEOSSOPVSA-N 415.505 3.585 0 50 HHAA COc1ccc2cc(CNCc3nonc3C)c(OCc3ccccc3F)nc2c1 12508420 QIYHKNXFCOWJPS-UHFFFAOYSA-N 408.433 3.943 0 50 HHAA CCC(CC)CNc1cnc2c(c1)c(NC(C)=O)c(C(=O)OC)n2C[C@H]1CCCO1 14535543 RLJHJSHWBYOZSQ-QGZVFWFLSA-N 416.522 3.808 0 50 HHAA CCOC(=O)c1nn(CCCc2cccnc2)c2c1CN(Cc1ccccc1)CC2 14541292 XJIOMXVRHJHOEJ-UHFFFAOYSA-N 404.514 3.646 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)CCCN2CCCCC2=O)C1 14966343 FUZLYTDRUSAASQ-HXUWFJFHSA-N 408.546 3.795 0 50 HHAA CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 2859587 JUMPPOUOBFSLPU-CQSZACIVSA-N 416.971 3.635 0 50 HHAA Nc1cccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)c1 2883447 SUZMQSIEAAXENN-DEOSSOPVSA-N 420.896 3.972 0 50 HHAA O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1)C1CC1 4823489 DAXOUFYGDWOFLS-GOSISDBHSA-N 406.438 3.602 0 50 HHAA Cc1ccc2oc(C(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 4383915 JRPCGOFADUQBRH-OAHLLOKOSA-N 403.525 3.941 0 50 HHAA O=C(NCc1nc2cc(Cl)ccc2s1)c1cc(N2CCNC2=O)c(F)cc1F 1875260596 VHDADARWIFMLNZ-UHFFFAOYSA-N 422.844 3.688 0 50 HHAA C[C@@H](O)c1ncc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)s1 877843218 JSICUOPKNGKRGB-BLVKFPJESA-N 409.467 3.692 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)CC1 2325889596 YFIXBZDNZRGPFZ-YOEHRIQHSA-N 405.336 3.578 0 50 HHAA COc1cc(C(=O)O[C@H]2C[C@@H](c3ccccc3)CCC2=O)cc(NC(C)=O)c1OC 2325901451 GWIKZMHFXUBIFU-JXFKEZNVSA-N 411.454 3.724 0 50 HHAA COC(=O)c1ccc(N[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1 1052988 UYCFSCVDXSIMAT-NRFANRHFSA-N 410.495 3.605 0 50 HHAA COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1C 2858854 OKWVFITZXIZBGC-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA Cc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Br 4667021 XOIZUCPCKDHMMY-UHFFFAOYSA-N 403.386 3.653 0 50 HHAA CCC(=O)Nc1ccc(-c2nnc(SCC(=O)NCc3ccc(C)cc3)n2C)cc1 4688970 ZVXYPAVMQBOUBU-UHFFFAOYSA-N 423.542 3.548 0 50 HHAA COc1ccc(-c2cc3c(c(OC)c2)OCCN(C2CCN(C)CC2)C3)cc1OC 11814472 FOXGCPIULLJJEW-UHFFFAOYSA-N 412.530 3.668 0 50 HHAA COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccccc1C 12038245 HFCKGTUTHVCGGL-RTWAWAEBSA-N 402.535 3.632 0 50 HHAA Cc1c([C@@H](C)NCc2ccc(N3CCNC3=O)cc2)cnn1-c1ccc(F)cc1F 12710359 XMYNVEZUZWBZJH-CQSZACIVSA-N 411.456 3.839 0 50 HHAA CC(C)CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3cccc(O)c3)CC2)C1=O 14741942 OBTXDATYQHDJSS-UHFFFAOYSA-N 421.541 3.847 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccccc3C(C)C)n2)ccc1C 16661435 ZYUHZFBIDJTYPU-UHFFFAOYSA-N 418.497 3.939 0 50 HHAA CN(C)C(=O)c1cc(-c2cnc(NCc3cccnc3)nc2)nc2ccc(F)cc12 63869051 WMVMSEYNCIANGW-UHFFFAOYSA-N 402.433 3.540 0 50 HHAA Cc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(N2CCCC2)n1 64800088 CJDHTEPDHLMZAP-UHFFFAOYSA-N 418.904 3.532 0 50 HHAA COc1ccc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(OC)c1OC 170597913 TZQXUZABIFTFHD-OAHLLOKOSA-N 424.419 3.626 0 50 HHAA CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)Nc1cc[nH]n1 241383382 MUYOYYVOUPNUBD-GUTXKFCHSA-N 409.317 3.990 0 50 HHAA O=C(OCc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC1CCN(CC(F)(F)F)CC1 252535880 HBUNVANYESJEDY-QGZVKYPTSA-N 410.480 3.761 0 50 HHAA CCCOc1ccccc1CCNC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 952964203 OMUBBJHXRRQHJG-UHFFFAOYSA-N 408.542 3.995 0 50 HHAA Cc1cc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc(C(=O)O)c1C 1875257287 VVNJNGUMIHYQRY-UHFFFAOYSA-N 404.348 3.853 0 50 HHAA CCO[C@H](C(=O)N1CCC[C@H](n2cc(-c3ccc(OC)cc3)nn2)C1)C1CCCC1 1875338164 OPIRUNOVIZCTMU-UGKGYDQZSA-N 412.534 3.713 0 50 HHAA COc1cc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 952664 VGVRKYYESQJYHH-UHFFFAOYSA-N 414.405 3.858 0 50 HHAA CCOc1ccc(C2C(C(=O)OC)=CN(CCc3ccccc3)C=C2C(=O)OC)cc1 1117471 JOGUZSOJXRVTID-UHFFFAOYSA-N 421.493 3.841 0 50 HHAA CCn1ccc(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)n1 2779270 BSPJWSPNHIYQLP-CYBMUJFWSA-N 413.547 3.518 0 50 HHAA COc1cccc2cc(-c3nnc(SCC(=O)NCc4ccccc4)n3C)oc12 2859472 XWTBIVFVLHCNFK-UHFFFAOYSA-N 408.483 3.645 0 50 HHAA O=C1C[C@H](N2CCC(Nc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 4704147 VHAPVSCJNRSHHY-IBGZPJMESA-N 401.869 3.688 0 50 HHAA Cc1ccccc1OCC(=O)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 8619620 MMHPNGRELWTSCP-UHFFFAOYSA-N 415.449 3.599 0 50 HHAA COc1ccc(Cc2noc(CN(C)Cc3cc4cc(F)ccc4[nH]3)n2)cc1OC 11818402 ZXBYNQXPJJVOPD-UHFFFAOYSA-N 410.449 3.930 0 50 HHAA O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(CCCn2cccn2)CC1 12315809 SOSXSLHHKGXIAZ-UHFFFAOYSA-N 405.502 3.811 0 50 HHAA CCCO[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC2CCN(C(C)=O)CC2)C1 12582380 NCMPWSLGQXOFKQ-LJQANCHMSA-N 422.953 3.761 0 50 HHAA Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3NCc2cccn2-c2ncccn2)c1 12596891 XYBJPKOHONQJQX-HXUWFJFHSA-N 406.440 3.898 0 50 HHAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 14958853 QLNFDKLLROOLFE-SFHVURJKSA-N 424.522 3.827 0 50 HHAA COc1ccccc1NC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCC2 17082400 LGTSQQQWKRVXFA-UHFFFAOYSA-N 402.472 3.691 0 50 HHAA NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl 229766011 APZQJYMEOLWFTA-NKZPBKNFSA-N 404.725 3.704 0 50 HHAA C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 427690202 MCCMFQGTFWEFHK-DOPJRALCSA-N 418.287 3.543 0 50 HHAA O=C1N[C@@H](c2ccc3c(c2)CCO3)C(=O)N1Cc1ccc(COc2ccccc2)cc1 430859030 TYTKLOMISGQPQQ-QHCPKHFHSA-N 414.461 3.994 0 50 HHAA NC(=O)[C@]1(c2ccccc2)CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 1857528510 FNARUDORUXGBCT-CJFMBICVSA-N 419.525 3.662 0 50 HHAA Cc1noc(C)c1CN1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857702848 QVFZJLZGLOOZPB-NRFANRHFSA-N 411.546 3.890 0 50 HHAA COc1cccc([C@H](CNC(=O)CC2(C(=O)O)CC2)c2c[nH]c3ccccc23)c1OC 1875329945 LXOIGFANDNUEDC-SFHVURJKSA-N 422.481 3.688 0 50 HHAA c1ccc(COC2CCN(Cc3coc(-c4cccc(-c5nn[nH]n5)c4)n3)CC2)cc1 1875341492 VAUYRVCGVCGWFH-UHFFFAOYSA-N 416.485 3.703 0 50 HHAA CN(C)CCOc1ccc(CN=c2cc(OC3CCC3)c(Br)c[nH]2)cc1 1875341761 GQLQWWPIVODZIE-UHFFFAOYSA-N 420.351 3.750 0 50 HHAA CN(C)Cc1ccc(-c2noc([C@@]3(C(F)(F)F)CCN(c4ccccn4)C3)n2)cc1 2325762737 PERKYQVTHCZSDU-HXUWFJFHSA-N 417.435 3.904 0 50 HHAA CCOC(=O)c1sc(NC(=O)COc2ccccc2C)c(C(=O)OCC)c1C 637793 PELDXBUWCVTIIK-UHFFFAOYSA-N 405.472 3.736 0 50 HHAA CCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)c1 946358 PMBCEKYXCIJBLB-UHFFFAOYSA-N 405.237 3.952 0 50 HHAA COc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1OC 1121950 UJOZVYGQAKXMFU-UHFFFAOYSA-N 420.531 3.540 0 50 HHAA COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 1162913 XZINAPUVPOPVDX-UHFFFAOYSA-N 400.862 3.618 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1 2814488 YKQGPIDJFSONEG-UHFFFAOYSA-N 416.927 3.649 0 50 HHAA COc1cc(NC(=S)NC(=O)c2ccc(C)cc2)ccc1NC(=O)c1ccco1 2980796 DICSHVYBTAMUTN-UHFFFAOYSA-N 409.467 3.976 0 50 HHAA COc1cc(CNCc2ccc(C)o2)ccc1OC[C@@H](O)CN1CCCCCC1 12049268 HPXBJUYQVPSMBS-FQEVSTJZSA-N 402.535 3.502 0 50 HHAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cc1c(C)noc1C 12076036 IXJIVEYAOTYGTM-OAQYLSRUSA-N 413.562 3.646 0 50 HHAA NC(=O)[C@@H]1CCCN1Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 12431479 LVKGYVDWMXXOCP-FQEVSTJZSA-N 400.482 3.794 0 50 HHAA COc1cccc(OC)c1-c1cnnc(N2CCC(C(=O)c3ccccc3)CC2)n1 12586498 LCFFSEAHUGVXEE-UHFFFAOYSA-N 404.470 3.655 0 50 HHAA CC[C@@H](COC)NC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12708986 XDNXDUWRKTYDKY-QFIPXVFZSA-N 410.558 3.927 0 50 HHAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cnc(N3CCCC3)s2)C1 13594883 YEKBPMIUUUZIEC-HNNXBMFYSA-N 403.523 3.986 0 50 HHAA CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc2ccccc12 13776632 QMQUFKZTKLGDIR-UHFFFAOYSA-N 405.502 3.617 0 50 HHAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCc1cccc(Cl)c1)CC2 14749968 LDYHQPQQLKBZQH-FQEVSTJZSA-N 422.960 3.934 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CC12CCN(C(=O)CCc1ccco1)CC2 14887680 LQRLMACEEBJURP-OAQYLSRUSA-N 418.497 3.665 0 50 HHAA CN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](c3ccccc3)CC2)(c2cccc(F)c2)C1=O 14970303 VSDXOMZBVUPCIW-KBMIEXCESA-N 422.500 3.639 0 50 HHAA CC(C)(C)CN1CCC(O)(c2ccc3oc(C(=O)NC[C@@H]4CCCO4)cc3c2)CC1 14993193 FDUWTNATJVVNOH-IBGZPJMESA-N 414.546 3.671 0 50 HHAA CC[C@H](C(=O)NCc1nn(C)c(Cl)c1Cl)n1nc(C(F)(F)F)c2c1CCC2 20607611 HBQQKEJATVZLIK-SNVBAGLBSA-N 424.254 3.698 0 50 HHAA O=C(c1ccc(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1)N1CCCC1 20996547 FWTQRLJVFYSATC-UHFFFAOYSA-N 404.514 3.842 0 50 HHAA Cc1cc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c2ccc(F)cc2n1 72473858 RQAROHPRKHFYMI-OAQYLSRUSA-N 403.501 3.998 0 50 HHAA Cc1nnsc1CNC(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1 95507446 IKCRKJDTFMKNDK-UHFFFAOYSA-N 402.564 3.666 0 50 HHAA CC[C@H](CNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1)Oc1ccccc1F 225475042 ZINRJBJKIHPVAJ-LJQANCHMSA-N 424.520 3.838 0 50 HHAA CN(C)c1cc(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)nc2ccccc12 253405494 NFNQTAYFDJUSRE-IBGZPJMESA-N 403.404 3.783 0 50 HHAA CCOc1ccc([C@@H]2Cn3nnc(-c4nc(-c5cccnc5)no4)c3CO2)cc1Cl 263617433 NUKRRCRKGLYPGU-KRWDZBQOSA-N 424.848 3.714 0 50 HHAA COC(=O)c1cc(OC)c(S(=O)(=O)NC2CCC(c3ccccc3)CC2)s1 484770650 XQDJTXMBIFLDPA-UHFFFAOYSA-N 409.529 3.548 0 50 HHAA CNC(=O)c1ccc(C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cn1 750215449 HBRYJQKWSVMAFA-CYBMUJFWSA-N 406.282 3.920 0 50 HHAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccccc2C(F)(F)F)cc1OC 1529113833 KERRRISRXJDJTF-WOJBJXKFSA-N 411.420 3.657 0 50 HHAA Cc1ncc(CN(CC(=O)O)C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[nH]1 1704312315 PJVMSTNMNPHPBZ-UHFFFAOYSA-N 401.507 3.746 0 50 HHAA CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc4nc(NC(C)=O)sc4c3)ccc21 2325713064 YCIOUQXEADAABX-UHFFFAOYSA-N 421.482 3.545 0 50 HHAA CN1CCN(C(=O)c2cccc(-c3ccc4nc(-c5cccs5)c(N)n4c3)c2)CC1 2325870966 WZHCCUGCDJVOHQ-UHFFFAOYSA-N 417.538 3.700 0 50 HHAA Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 671123 AGCJYQYCYKJTRL-UHFFFAOYSA-N 422.506 3.764 0 50 HHAA COC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 1110623 BLUVXWORBQMQJX-UHFFFAOYSA-N 424.478 3.835 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(Cl)c(O)c(OCC)c1 1184950 YYIVZPOKEZGJEU-GOSISDBHSA-N 416.861 3.773 0 50 HHAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 2856271 TXIFMAGTDKBYDU-UHFFFAOYSA-N 412.511 3.934 0 50 HHAA O=C(CSc1nnc(NC(=O)CCc2ccccc2)s1)NCc1ccccc1 2998342 ZJEOGUVHMXBUQA-UHFFFAOYSA-N 412.540 3.518 0 50 HHAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1 4502476 VPTROVSXAUOQQD-AWEZNQCLSA-N 408.907 3.742 0 50 HHAA O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 4738694 QKGRCQJJEOLHDM-FQEVSTJZSA-N 418.428 3.587 0 50 HHAA Cc1cccc(Cl)c1OCc1ccc(C(=O)N2N=CC[C@]2(O)C(F)(F)F)o1 6924904 ZGJKXOIBVPCSJO-INIZCTEOSA-N 402.756 3.903 0 50 HHAA O=C(O)CNC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 9422106 PQROGMQNTCKCNK-UHFFFAOYSA-N 411.889 3.526 0 50 HHAA CS(=O)(=O)c1ncc(CN2CC[C@@H](C3CCCCC3)C2)n1Cc1ccccc1F 11664078 KOVWEQDESLCJBB-GOSISDBHSA-N 419.566 3.876 0 50 HHAA O=C(NCc1cccc(N2CCCC2)c1)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 11874196 RWAAAYLYTMZDRT-HSZRJFAPSA-N 419.569 3.774 0 50 HHAA COCCN(C(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1)C(C)C 12073781 VJKNJYXJWFYHSK-UHFFFAOYSA-N 418.578 3.978 0 50 HHAA COc1cccc(CC(=O)N2CCC(CCC(=O)Nc3cccc(OC)c3)CC2)c1 12075268 IHOHZADYJRHFAY-UHFFFAOYSA-N 410.514 3.904 0 50 HHAA COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H]2CCCC(C)(C)C2)CC1 12092182 CWFYGKSBPLIVAP-GOSISDBHSA-N 418.578 3.883 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 12165969 ANPVMXFLHKFKMS-AREMUKBSSA-N 415.537 3.907 0 50 HHAA Cn1ccc(C(=O)NC[C@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)n1 12244170 PWYCVGUKKRQBFI-CQSZACIVSA-N 401.388 3.839 0 50 HHAA C[C@H]1CCCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1 12301129 VWDDKSRBBGCSLF-FQEVSTJZSA-N 423.605 3.657 0 50 HHAA COc1ccc(OCc2cc(C(=O)N(C)Cc3nc(C)c[nH]3)no2)c2ccccc12 12305061 PTYOMXRBYMCTHZ-UHFFFAOYSA-N 406.442 3.719 0 50 HHAA CCN(Cc1ccc(OCCO)cc1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 12387486 NQWJUTVKELRZBZ-HSZRJFAPSA-N 414.565 3.973 0 50 HHAA CN1CCN(C(=O)CC[C@H]2CCCN(Cc3ccccc3OC3CCCC3)C2)CC1 14963149 VISQSUONZIIZHG-OAQYLSRUSA-N 413.606 3.774 0 50 HHAA COc1cc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc2c1OCO2 23282634 HNTXAAIGSPTKSG-UHFFFAOYSA-N 420.303 3.670 0 50 HHAA CC(C)Cn1c(CN(C)Cc2ccc(C(F)(F)F)cc2)cnc1S(C)(=O)=O 55182532 KCVWKWVJFVEVMU-UHFFFAOYSA-N 403.470 3.593 0 50 HHAA COc1cccc(CN(C)Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)c1 64131656 ZHSJXPQRPYLHQF-UHFFFAOYSA-N 405.564 3.508 0 50 HHAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(c2cc(NCCO)ncn2)C1 71764874 YEGHCPFXOSFABV-NRFANRHFSA-N 402.498 3.647 0 50 HHAA Cc1ccccc1[C@H](CC(=O)N1CCC(O)(Cn2ccnc2)CC1)c1ccccc1 95496757 WFADZAUZTRCFMY-HSZRJFAPSA-N 403.526 3.767 0 50 HHAA CCOc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)CC2)cc1 101798788 SFWYBYVIERABKU-ROMQECONSA-N 410.514 3.614 0 50 HHAA C[C@H](OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)C(=O)c1ccccc1 197192164 PYKLEAOUFHGXMI-HBCHPYAZSA-N 417.461 3.650 0 50 HHAA CCCCOc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1 212524971 JDNNVPMAJJUSHA-NAWSQEDCSA-N 413.926 3.761 0 50 HHAA CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1 225548556 HVIYMSSPKLPXQM-QGZVFWFLSA-N 404.507 3.532 0 50 HHAA CO[C@@H]1C[C@@H](C(=O)O)N(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)C1 237150083 DTYAVDJPVFTJJE-UZLBHIALSA-N 410.445 3.607 0 50 HHAA O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1CC[C@](O)(c2ccc(F)cc2)C1 777492428 NAQWRVWWVUOBSI-LJQANCHMSA-N 421.241 3.942 0 50 HHAA CN([C@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1ccnn1C 1475643543 GADDNMITPVXAOF-GOSISDBHSA-N 420.332 3.593 0 50 HHAA Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C(F)F)CC2)cc1F 1875318708 SXGHACHQFDHDHE-SFHVURJKSA-N 423.410 3.747 0 50 HHAA CC(C)(C)n1ncc(C(=O)OCc2nc3ccc(Cl)nc3[nH]2)c1Br 2325870566 DYRLZSWTYYFSHS-UHFFFAOYSA-N 412.675 3.682 0 50 HHAA CNC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc(C(C)C)n(-c2ccccn2)n1 2332239399 PZRNXZBIJWPOHB-NQIIRXRSSA-N 423.561 3.548 0 50 HHAA CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)c3ccccc32)cc1 834866 CKKANPMDHKFVSC-UHFFFAOYSA-N 414.527 3.731 0 50 HHAA Nn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 1049766 NISOZZJDWJIBPT-UHFFFAOYSA-N 412.277 3.836 0 50 HHAA CCCCc1ccc(NS(=O)(=O)c2cc3c4c(cccc4c2)C(=O)NC3=O)cc1 2685294 MYPORQJFBQOGAK-UHFFFAOYSA-N 408.479 3.867 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)no1 4749188 GZTPJBLUAHKPSD-UHFFFAOYSA-N 403.485 3.515 0 50 HHAA CCOC(=O)c1ccccc1NC(=O)N(Cc1ccco1)C1CCN(C(C)=O)CC1 6877572 CZUVSTYJWMNXJB-UHFFFAOYSA-N 413.474 3.501 0 50 HHAA C[C@@]1(C(=O)Nc2nnc(SCc3ccccc3)s2)Cc2ccccc2C(=O)O1 9319849 WZCZEUYRKPERDX-FQEVSTJZSA-N 411.508 3.941 0 50 HHAA CCCC[C@@H]1CN(CCC(=O)NCc2ccc3c(c2)OCO3)Cc2ccccc2O1 11787886 XSWVUEBXHXJWLA-HXUWFJFHSA-N 410.514 3.875 0 50 HHAA O=C1CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CCN1Cc1cccnc1 11913560 OJWDTTQIYKYJSV-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA COc1ccc(CCN2CCC(CN(C)C(=O)c3ccc(C(C)=O)s3)CC2)cc1 12747535 DMDFALMESIBMIM-UHFFFAOYSA-N 414.571 3.986 0 50 HHAA COc1ccccc1CN1CCN(C(=O)Nc2cccc(Br)c2)CC1 13322787 NNWGNQVTZUCQAJ-UHFFFAOYSA-N 404.308 3.807 0 50 HHAA CC[C@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@@H]2CCCO2)c2ncc(NC(C)C)cc12 14750708 FBMYBNQZFFVNID-HOCLYGCPSA-N 416.522 3.807 0 50 HHAA Cc1ccccc1-c1cc(C(=O)NCCN2CCOCC2)c2cccc(Cl)c2n1 20419091 WTQLIGGXDVHKRC-UHFFFAOYSA-N 409.917 3.926 0 50 HHAA CCOc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1CO 23360950 CCRXXXKIODCOHH-XMMPIXPASA-N 423.601 3.673 0 50 HHAA Cc1nonc1[C@H]1CCCN1c1ccc(-c2nc(COc3ccccc3)no2)cn1 39430146 XOUPPZLHTHRCIP-QGZVFWFLSA-N 404.430 3.744 0 50 HHAA Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccc(F)c(Cl)c1)CCCCC3 169777276 WKGYWWZGOOFZTN-UHFFFAOYSA-N 402.857 3.664 0 50 HHAA Cc1nc(COc2ccc(/C=C/C(=O)N3CCCC[C@H]3CC(=O)O)cc2)cs1 170593186 XZBXWMKJGSRIIT-HKMNZKMDSA-N 400.500 3.900 0 50 HHAA Cc1noc(-c2ccccc2C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1 225573086 OPFNHRQEJDNOGX-ZFWWWQNUSA-N 400.479 3.563 0 50 HHAA O=C(NCc1cc(F)cc(F)c1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263619375 YLVGHKCBDXIOFO-UHFFFAOYSA-N 422.431 3.816 0 50 HHAA CCOc1ccc([C@H](COC)N2C(=O)[C@H](Cc3cccc(Cl)c3)N=C2O)cc1 328595065 JVXXJJPOLGDFSC-OALUTQOASA-N 402.878 3.794 0 50 HHAA O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cccc2ccsc12 466431864 RNTFIYHUUZHEKP-CQSZACIVSA-N 401.513 3.587 0 50 HHAA COc1cc2c(cc1-c1nccn1-c1cccc(C(=O)N3CCCC3)c1)OCCO2 1857691174 YMLVQPGCBITEFG-UHFFFAOYSA-N 405.454 3.555 0 50 HHAA CCCOc1cccc(CNC(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)c1 1857739327 OGINGCDOTYIELZ-SFHVURJKSA-N 408.502 3.935 0 50 HHAA CC[C@@H](C[C@@H](C)CO)NC(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1 1875264436 AEPZZLOLKGZCOU-DOMZBBRYSA-N 405.520 3.690 0 50 HHAA O=C(N=c1ccn(Cc2ccc(F)cc2)[nH]1)NCc1ccccc1OCC(F)(F)F 1875318254 LQHVQXPZKKWFEE-UHFFFAOYSA-N 422.382 3.755 0 50 HHAA O=C(N[C@@H]1CC[C@@H](C(=O)O)CCC1(F)F)c1nn(-c2cccc(F)c2)c2c1CCC2 1875354094 QUXMAFVENRKKBF-SJKOYZFVSA-N 421.419 3.509 0 50 HHAA O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccc2c(c1)C(=O)NCC2 2325875337 OGACQUNKGCCOEW-SSEXGKCCSA-N 418.518 3.674 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 2325884074 FGKUGEHLFKSIJS-KRWDZBQOSA-N 409.299 3.676 0 50 HHAA COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1 915160 JWCBHZDITMOIQN-VWLOTQADSA-N 401.462 3.745 0 50 HHAA CCOC(=O)c1cc(CC)sc1NC(=O)c1cc2cc(OC)ccc2oc1=O 938128 JQXBZNDUJJHMLK-UHFFFAOYSA-N 401.440 3.855 0 50 HHAA CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1156853 PYMAVIRGGZHXNT-UHFFFAOYSA-N 406.935 3.942 0 50 HHAA COc1ccc(Cl)cc1NS(=O)(=O)c1cc(Br)ccc1OC 1158672 OIAMBJLQLNHUPA-UHFFFAOYSA-N 406.685 3.921 0 50 HHAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)ccc1OCc1ccccc1 1189892 PVQXZSGMUGWSFP-OAQYLSRUSA-N 410.470 3.854 0 50 HHAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3C)cc2)cc1 2881139 VBFXTQIHBIWEEB-UHFFFAOYSA-N 424.522 3.759 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2ccc3cc(F)ccc3n2)C[C@H]1CCO 104491643 MDIKGYXQBWMGSZ-HSZRJFAPSA-N 423.532 3.841 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc(SC)c3)C[C@H]2CCO)cc1C 104302946 LRRUWWLUROCTBF-OAQYLSRUSA-N 400.588 3.794 0 50 HHAA COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)c(C)c2)c2cccnc2)cc1 9006507 HNLXWXVWTJDBGU-QFIPXVFZSA-N 424.522 3.652 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)c(C)c1C 104469179 BWTYEMKWFDGXCF-HXUWFJFHSA-N 404.501 3.659 0 50 HHAA CCn1ncc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1C 20109474 KQPOQBPHKVAOMU-JOCHJYFZSA-N 401.986 3.651 0 50 HHAA CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 253369602 FLBPPPZJVZBPKC-XZOQPEGZSA-N 423.557 3.691 0 50 HHAA NC(=O)CSc1nnc(CSCc2ccccc2)n1-c1ccc(Cl)cc1 6392894 AWXWHSTXHIWWRV-UHFFFAOYSA-N 404.948 3.932 0 50 HHAA Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)c2)cc1 229821559 IDCQRPHHGCUGHF-BSLALVQMSA-N 417.461 3.736 0 50 HHAA Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)c1 247871096 LKISCTNMRXYASH-XSDIEEQYSA-N 422.912 3.792 0 50 HHAA O=[S@](CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2nc(O)oc2c1 27299445 FCBQJNCAKZSIAH-NDEPHWFRSA-N 402.491 3.735 0 50 HHAA biogenic,in-man CCOc1ccc2nc(N3CCC(N4CCC[C@@H]4c4nonc4C)CC3)nc(C)c2c1 299780512 APRBHPGHYXUFNO-OAQYLSRUSA-N 422.533 3.834 0 50 HHAA COc1ccc(CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C2CCCC2)c2ccccc12 952866900 GWFXXCFGIZNKLD-SFHVURJKSA-N 409.530 3.910 0 50 HHAA CCCOc1cn(-c2ccccc2)nc1C(=O)OCc1nncn1-c1ccccc1 764357646 CAOGUIJMKQVQFY-UHFFFAOYSA-N 403.442 3.599 0 50 HHAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)c2csc3nc(C)cn23)C1 11663243 SUDGXWFRDADBSR-ZDUSSCGKSA-N 401.463 3.587 0 50 HHAA Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nn2)n1 11697197 ZGZBBPNDOKRKCW-UHFFFAOYSA-N 408.893 3.539 0 50 HHAA C[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(COc2c(F)cccc2F)on1 12435800 JHJKZVZIBCYDDD-HNNXBMFYSA-N 413.424 3.883 0 50 HHAA COc1ccccc1CCN1CCC(CN(C)Cc2cnc(N(C)C)s2)CC1 12439907 IUVINFQFFQKUNK-UHFFFAOYSA-N 402.608 3.604 0 50 HHAA O=C1NC(=O)[C@@](CCc2ccccc2)(C2CCN(CCCc3ccccc3)CC2)N1 14880705 ZDOINIBUFSKHFJ-RUZDIDTESA-N 405.542 3.542 0 50 HHAA Cc1cnc(SC[C@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)c2cncs2)C1 14959435 JICUVYMSBXIRBL-HUUCEWRRSA-N 404.561 3.532 0 50 HHAA COc1ccc(-c2cc(N3CCCN(C(=O)c4cccc5[nH]ccc45)CC3)[nH]n2)cc1 169776402 PAYRSHCRGCQRTE-UHFFFAOYSA-N 415.497 3.919 0 50 HHAA C[C@@H](O)Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccccc1 1125381 YHFJHBYDEBVZNL-CYBMUJFWSA-N 402.907 3.575 0 50 HHAA COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)N2CCOCC2)cc1 1142343 LQQFYXHUNITBSP-UHFFFAOYSA-N 409.269 3.727 0 50 HHAA COc1cccc(C2=NN(C(=O)COc3ccc(C)c(C)c3)[C@@](O)(C(F)(F)F)C2)c1 1152085 DKLZLDOAOGQQRK-FQEVSTJZSA-N 422.403 3.578 0 50 HHAA CC(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 1232348 KFALXDKCAJRLAE-SECBINFHSA-N 419.559 3.568 0 50 HHAA COC(=O)c1c(N2CCC[C@]3(CCc4cnc(C)nc43)C2)noc1-c1ccccc1 2356159598 IQTDWDZBQWDSIO-QHCPKHFHSA-N 404.470 3.711 0 50 HHAA Cc1ccc(C[C@H](CO)NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cc1 466669881 QHUVZJCVJRPBFC-CXAGYDPISA-N 402.363 3.779 0 50 HHAA CN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1 67602193 MSWHWUGADDRHGA-UHFFFAOYSA-N 414.506 3.808 0 50 HHAA O=C(Nc1nnc(-c2cccs2)s1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 63846114 AFTPBICBUCBAEZ-HNNXBMFYSA-N 409.500 3.564 0 50 HHAA O=C1NC(c2cc(I)ccc2Cl)=N/C1=C/c1cccs1 826344 MGMJPQBSNQURNH-KPKJPENVSA-N 414.655 3.924 0 50 HHAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cccc(OC)c3)CC2)cc1 14239743 KXUAYXMEIGYYDT-GOSISDBHSA-N 402.560 3.715 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccccc4C)CC3)nn2)nc1 72434318 PQUXHEDHQBCPOA-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA CCN(CC(C)(C)C)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82115628 LXBOAVSCJSVNJO-OAQYLSRUSA-N 400.611 3.653 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 239175767 QPORCUBZEUUYNN-KSMPYDNASA-N 418.559 3.683 0 50 HHAA CN(CCCOc1ccccc1Cl)C(=O)CN1C[C@@H](c2ccccc2)CC1=O 952976890 MWCAYYXUTZXZAQ-SFHVURJKSA-N 400.906 3.583 0 50 HHAA COc1ccc(-n2c(SCc3nc(N(C)C)no3)nnc2-c2ccccc2)cc1 170598598 UOTOCOCKYOGHEG-UHFFFAOYSA-N 408.487 3.684 0 50 HHAA CCC(CC)n1ncc(C(=O)N2C[C@@H](OC)C[C@@H]2c2nc(-c3cccnc3)c[nH]2)c1C 170591183 UOGKXOYZMRGASA-GHTZIAJQSA-N 422.533 3.940 0 50 HHAA CCN(CC)[C@H]1CCN(C(=O)c2sc3ncnc(N4CCCCCC4)c3c2C)C1 11784142 BKTCYWOOGYSUNP-KRWDZBQOSA-N 415.607 3.936 0 50 HHAA COc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c(OC)c1OC 11843689 WZHHYVUZZVLARD-HSZRJFAPSA-N 403.494 3.669 0 50 HHAA Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@@H](CNC(=O)[C@@H]1CCOC1)C2 12244680 JROTYYNKBRDMTJ-TZIWHRDSSA-N 402.494 3.975 0 50 HHAA O=C(CCN1CCCO1)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 12706436 HEMZUNIZTBRUEF-UHFFFAOYSA-N 403.482 3.921 0 50 HHAA O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(Br)c2ccccc12 13893668 WKCJVDFEAPJHEF-UHFFFAOYSA-N 420.284 3.810 0 50 HHAA Cc1noc(C)c1C(=O)N1CCC2(CC1)OCCc1cc(-c3cccc(N)n3)sc12 1857720138 GGBZDIDJDUAIEI-UHFFFAOYSA-N 424.526 3.701 0 50 HHAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857730969 FZHNYABGMJWGJX-FYYLOGMGSA-N 417.509 3.964 0 50 HHAA Cc1nc(-c2ccncc2)cc(=NCc2ccccc2CNC(=O)OC(C)(C)C)[nH]1 1875255048 HSJZUKBXALMSIF-UHFFFAOYSA-N 405.502 3.906 0 50 HHAA Cc1nnc(Cc2ccc(-c3nc(Cn4cccn4)nn3Cc3ccccc3)cc2)o1 1875348891 GHBSUHFTICCGCW-UHFFFAOYSA-N 411.469 3.520 0 50 HHAA O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)N1CCSCC1 901618 JXSHREOOKKTEAC-UHFFFAOYSA-N 405.492 3.891 0 50 HHAA NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 1132290 RJDNQKYDSXEWAM-UHFFFAOYSA-N 412.540 3.564 0 50 HHAA CCNC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2OC)sc2c1CCCC2 1176996 YSHGBLMYTMNOPK-ZDUSSCGKSA-N 402.516 3.791 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc(Br)cc1 1194299 REMAHEFAKIDNKA-UHFFFAOYSA-N 417.712 3.507 0 50 HHAA Cc1c(C(=O)N2CCOCC2)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 11813406 KPZMBHXXQKOCTQ-KRWDZBQOSA-N 408.527 3.962 0 50 HHAA COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)C3CC3)c(N3CCCC3)nc2c1 12163234 XPFHYRCJEIJVIV-OAQYLSRUSA-N 409.530 3.761 0 50 HHAA COc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c(OC)c1 12572437 AQPREOMZFLPOKD-UHFFFAOYSA-N 412.534 3.866 0 50 HHAA Cc1n[nH]c(C)c1CCN(C)C(=O)CN1Cc2ccccc2O[C@H](c2ccsc2)C1 15002392 AAMQMMJXNMCGDY-QFIPXVFZSA-N 424.570 3.725 0 50 HHAA O=C(Nc1ccc2c(c1)CN(Cc1ccc3nsnc3c1)CC2)c1ccncc1 15075413 PXNHBQIFPFNIHJ-UHFFFAOYSA-N 401.495 3.897 0 50 HHAA Cc1nc2nc3ccn(Cc4cccnc4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398358 IVBKBTQSVFFYAE-UHFFFAOYSA-N 402.845 3.511 0 50 HHAA O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)c1ccncc1 72456537 GFMSXGRJFOGECK-UHFFFAOYSA-N 413.481 3.569 0 50 HHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1Cl)N1CCCN1[C@H]2c1ccc(F)cc1 138558019 JQRWBFCBYZXBRZ-OKZBNKHCSA-N 420.271 3.668 0 50 HHAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 952971674 OTVGSNBWXFIDCR-ZWKOTPCHSA-N 408.502 3.525 0 50 HHAA C[C@@H](c1nc2ccccc2o1)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1875257792 OYPLASFLGVZSQX-ROUUACIJSA-N 414.550 3.906 0 50 HHAA CN1CC[C@H](CN=c2cc[nH]c(-c3ccc(F)cn3)n2)[C@H]1c1ccc(Cl)c(F)c1 1875334977 NMCKGOXMSZNLNC-JLTOFOAXSA-N 415.875 3.997 0 50 HHAA CNC(=O)c1cccc(CCC(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)c1 1875390201 FNQRKZULSOAMFL-GOSISDBHSA-N 400.906 3.702 0 50 HHAA Cc1cc([C@H](O)[C@@H](C)NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1F 2325861076 DZMMAYIVZWPDCH-NLSFWIRASA-N 420.484 3.844 0 50 HHAA Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1 730365 XOUBJYSHBCWUMM-QGZVFWFLSA-N 402.516 3.576 0 50 HHAA O=C(CSc1nnc2scc(-c3ccccc3)n12)NCc1ccc2c(c1)OCO2 801900 YRXQGACHRQITHS-UHFFFAOYSA-N 424.507 3.595 0 50 HHAA C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O 840934 ATYQIUHYOIPPCZ-MLGOLLRUSA-N 405.235 3.974 0 50 HHAA CN(C)c1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)cc1 1151785 VIOMOQZQHMDZEF-GOSISDBHSA-N 411.811 3.907 0 50 HHAA O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21 2392292 QOYRELXVQPLAAB-FCHUYYIVSA-N 403.434 3.712 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)c(C)c2)cc1 2872223 PQAYSBZPAHXYAZ-UHFFFAOYSA-N 416.543 3.932 0 50 HHAA O=C(CCn1c(=O)oc2ccccc21)Nc1nnc(SCc2ccccc2)s1 3105344 HNMLTCJGEUHXPD-UHFFFAOYSA-N 412.496 3.767 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCc3ccccc3C2)cc1 4757013 JOORXRSFIXZVFG-UHFFFAOYSA-N 406.507 3.994 0 50 HHAA CCCC[S@](=O)CC(C[S@@](=O)CCCC)OC(=O)c1ccc(Cl)cc1 5102351 HVXDLHQNVDJEKJ-JWQCQUIFSA-N 406.997 3.963 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 11953063 CAWVZHRTTKMVAT-SANMLTNESA-N 417.553 3.875 0 50 HHAA CC[C@H]1CN(C(=O)C[C@@H]2C(=O)Nc3cc(OC)ccc32)Cc2ccc(Cl)cc2O1 12124247 OIBFMPCGPQUXFE-YJBOKZPZSA-N 414.889 3.974 0 50 HHAA O=C(CCc1ccccc1)NC[C@H]1CCCN(Cc2cc(F)ccc2-n2cccn2)C1 12577915 HVQDQGOLDTVFMF-OAQYLSRUSA-N 420.532 3.972 0 50 HHAA COc1cccc(NC(=O)CCC2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)c1 12757768 NSSHTRPYACKQQX-UHFFFAOYSA-N 424.545 3.579 0 50 HHAA CCCN1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2Cc1ccccc1 14531250 WMSRQDFUAJGFRO-UHFFFAOYSA-N 420.557 3.723 0 50 HHAA CC(C)(C)c1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](CC4CCCCC4)C(=O)N3C2)cc1 14743489 YIUOEAFGJQCXMJ-FKBYEOEOSA-N 411.590 3.512 0 50 HHAA CCN(CC)C(=O)c1c(COc2ccc(C)cc2)n(Cc2ccccn2)c(C)cc1=O 14967933 QAYKWHXDMSQDEK-UHFFFAOYSA-N 419.525 3.969 0 50 HHAA COc1cc(Br)c(CN2CCN(c3ccccc3F)CC2)cc1OC 16662642 BXIYCSZEGRRIRA-UHFFFAOYSA-N 409.299 3.928 0 50 HHAA COc1cc(F)ccc1CN1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 19300747 MHFMUTGVUNGLFS-JOCHJYFZSA-N 401.501 3.760 0 50 HHAA Cc1c(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C 19792880 ROGAGCPNPOPAMI-HSZRJFAPSA-N 404.558 3.581 0 50 HHAA O=C(c1ccco1)N1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1 35904253 YBLOACJHCBCWET-UHFFFAOYSA-N 415.493 3.501 0 50 HHAA C[C@@H](c1ccon1)N(C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 42628379 YOHOSSXKWIEJSP-DZGCQCFKSA-N 405.882 3.631 0 50 HHAA CC(C)n1cc(-c2cc(C(=O)N3CCCN(C)C[C@H]3C)c3ccc(F)cc3n2)cn1 63855453 VFLIFDOOJMXPBY-MRXNPFEDSA-N 409.509 3.985 0 50 HHAA COC(=O)c1nc(Br)cc(Br)c1OCc1ccccc1 148254580 CSAZPQZAODHVLZ-UHFFFAOYSA-N 401.054 3.972 0 50 HHAA CCOc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CC)c1 170619472 IMZMQVCZRSPOHI-FQEVSTJZSA-N 415.515 3.545 0 50 HHAA O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 226571072 FAAOUEXTILHBKZ-NXKWAJLKSA-N 406.269 3.700 0 50 HHAA O=C(NCc1ccc(Cl)cc1)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 263616874 KZNRFUVSSQNGEZ-QGZVFWFLSA-N 403.269 3.786 0 50 HHAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 734801718 XYAGYWSKRKZWBL-JOCHJYFZSA-N 406.486 3.705 0 50 HHAA O=C1CN(/C=C/c2ccccc2)C(=O)N1C[C@@H](O)COc1cccc2ccccc12 749264047 ZMJCKIDWWYFSND-FBRRREGBSA-N 402.450 3.515 0 50 HHAA O=C(Nc1c[nH]nc1-c1ccccc1F)c1ccc2c(Br)cnn2c1 1448621109 LRWZGUOWCLACDW-UHFFFAOYSA-N 400.211 3.878 0 50 HHAA Cc1cccc(N2C[C@H](c3nc(-c4cc5c(nc4O)CCCC5)no3)CC2=O)c1C 1875359555 IOSBXYQSIMQKEP-MRXNPFEDSA-N 404.470 3.853 0 50 HHAA O=C(O)[C@@H]1COCCN1c1nc(-c2ccsc2)nc2sc3c(c12)CCCC3 2325853247 JJFUUGJCJDNHNX-ZDUSSCGKSA-N 401.513 3.588 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCCCC1 687731 ZUUYWRASNDSRPN-UHFFFAOYSA-N 412.861 3.892 0 50 HHAA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1ccc(F)cc1 1169181 QCAJNAQOQYKYER-UHFFFAOYSA-N 405.458 3.995 0 50 HHAA CCc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 4700192 WXIQUKNWMXKMIF-UHFFFAOYSA-N 405.586 3.805 0 50 HHAA COc1cc(CNCCCN2CCOCC2)c(Cl)cc1OCc1ccccc1 4820455 YOOIJJALNYDXQG-UHFFFAOYSA-N 404.938 3.740 0 50 HHAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2cccnc2)O3)c1 11996121 OJGQZBXITCAXBS-LJQANCHMSA-N 422.868 3.922 0 50 HHAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCn1ccc(C)n1 11997851 ZFSORIYNMUYVHG-OAQYLSRUSA-N 400.542 3.524 0 50 HHAA Cc1cccn2c(CN3CC[C@H](C4CCCCC4)C3)c(C(=O)N3CCOCC3)nc12 12434052 SPNPRRBGAOQNNS-FQEVSTJZSA-N 410.562 3.517 0 50 HHAA COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2ccc(F)cc2F)CC1 12457919 DRXCEDLOQATSLD-UHFFFAOYSA-N 416.468 3.909 0 50 HHAA COC(=O)c1cccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)c1 12596582 SIPXDISBEONMBP-GOSISDBHSA-N 411.408 3.745 0 50 HHAA CCN1C(=O)N(Cc2cccc3ccccc23)C(=O)C12CCN([C@@H]1CCSC1)CC2 14744572 RDDPUAOUOVXEBZ-HXUWFJFHSA-N 423.582 3.964 0 50 HHAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2cncs2)C3)s1 14883209 PNYWXEWAPFINJQ-ZDUSSCGKSA-N 402.472 3.947 0 50 HHAA COc1ccc(OC)c(-c2cc(C(=O)NC3CCCCCC3)cc(-n3cnnn3)c2)c1 15072480 MZYZPIYIUIJQOG-UHFFFAOYSA-N 421.501 3.799 0 50 HHAA COc1cc(CN2CCN(Cc3ccccc3Br)CC2)cc(OC)c1 19832138 TZALTNKAWXXILV-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1 169758362 CHCGJJGTZZOPTG-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA Cc1c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)cnn1-c1ccccc1F 170601268 JEWVZYICJVKJPW-MAUKXSAKSA-N 416.497 3.838 0 50 HHAA COC(=O)c1nc(NC(=O)CCc2cc(OC)no2)sc1-c1ccc(Cl)cc1 170625693 PVPKSEFAAOMTCB-UHFFFAOYSA-N 421.862 3.818 0 50 HHAA Cc1ccc(C)n1-c1c(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)cnn1C 170631729 BQJURYNWBLZMTK-KRWDZBQOSA-N 407.301 3.598 0 50 HHAA O=C1Nc2ccccc2[C@@]12C[C@@H]2c1ccc2[nH]nc(I)c2c1 215766213 NZWUONSEXBGACW-SJKOYZFVSA-N 401.207 3.545 0 50 HHAA CC(C)(C)OC(=O)NCc1ccc(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)cc1 229863326 MCOPMJHEOVPGQW-UXHICEINSA-N 401.551 3.706 0 50 HHAA Cc1ccc2c(COC(=O)[C@@H]3CC(=O)N([C@@H]4CCC[C@H](C)[C@H]4C)C3)cc(=O)oc2c1 230073698 RXAKGOIIRQKABJ-TVKQPGBESA-N 411.498 3.818 0 50 HHAA Cc1cc(C)c(N2CC[C@H](N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)C2=O)c(C)c1 253429219 MKESYZTUMLPMOO-UFYCRDLUSA-N 415.578 3.952 0 50 HHAA O=C(NCC1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1)[C@@H]1CCOC1 827778779 YMEYVIKOUJKMCX-QGZVFWFLSA-N 402.922 3.965 0 50 HHAA COc1cccc(CN2CCC3(CC2)OCCc2sccc23)c1O[C@H](C)C(=O)O 1704344564 SNXTZDCIWWJROV-OAHLLOKOSA-N 417.527 3.673 0 50 HHAA CCC(=O)N[C@H](C(=O)N[C@@H](CC)[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 1875263104 KRNWTMAZEQJLTH-YSIASYRMSA-N 422.447 3.901 0 50 HHAA CC(C)C[C@@H]1CCC=CCC2(CCCC2)C(=O)NC[C@@](C)(Cn2cccn2)NC1=O 1875369652 AEBNVQGLBOBHTE-REWPJTCUSA-N 414.594 3.837 0 50 HHAA C[S@@](=O)Cc1c(C(=O)Nc2cccc3c2OCC[C@@H]3O)sc2ccccc12 2325738515 MHWXLVBJLJAKMM-RKOGDMNLSA-N 401.509 3.848 0 50 HHAA CCOc1ccc(CN2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)cc1CO 2356148952 BLPVDOVZFPGIOF-AREMUKBSSA-N 422.569 3.777 0 50 HHAA O=C(NCc1ccco1)/C(=C\c1ccco1)NC(=O)c1ccccc1Br 1162322 AVGUBAWGQBKKCT-GZTJUZNOSA-N 415.243 3.722 0 50 HHAA C[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)c1ccccc1 1431918 ANJXJEHJCAUIIC-NSHDSACASA-N 413.326 3.925 0 50 HHAA Ic1ccccc1-c1nn2c(-c3cccnc3)nnc2s1 4938768 CQAIEPBQKRAKOP-UHFFFAOYSA-N 405.224 3.519 0 50 HHAA Cn1cc(Br)c(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)n1 5887929 NUMYIBZBYCXUBU-UHFFFAOYSA-N 404.312 3.557 0 50 HHAA CNS(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 8087857 RHTTZGQFGZVRIU-UHFFFAOYSA-N 417.314 3.699 0 50 HHAA O=C(N[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1N1CCOCC1 11937343 MKQXPLJPEFLKJL-QGZVFWFLSA-N 422.554 3.532 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 11957546 FZJTVXAOSZNAMM-QHCPKHFHSA-N 410.606 3.949 0 50 HHAA CCN(CC)C[C@H](O)COc1cc(CN(C)Cc2ccc(C)cc2)ccc1OC 12202034 XOVWOFCEVCULRZ-QFIPXVFZSA-N 400.563 3.717 0 50 HHAA COc1ccc2c(c1)C=C([C@@H]1C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN14)CO2 12612383 MDQKNUCUTOGXNR-JTJYXVOQSA-N 402.494 3.741 0 50 HHAA COC(=O)c1c(NC(=O)c2ccc(OC)cc2)c2cc(NC3CCC3)cnc2n1C 14742675 REUPCIFVXCSVNL-UHFFFAOYSA-N 408.458 3.585 0 50 HHAA O=C(CCn1cccn1)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 15073097 ONNHZAKHNMOQMM-QFIPXVFZSA-N 409.578 3.742 0 50 HHAA COc1ccc(NC2CCN([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 18271450 XHDMROWYTZNCOQ-FQEVSTJZSA-N 413.905 3.557 0 50 HHAA O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N1CCC[C@H]1c1ccc(F)cc1 23478616 OXNSCDKZSRTWRT-SFHVURJKSA-N 423.444 3.825 0 50 HHAA CC(C)(C)c1csc(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)n1 71282565 WYZJBUKQXIICEY-UHFFFAOYSA-N 402.907 3.956 0 50 HHAA O=C([C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCC2(CCCC2)C1 82087635 JFYISXLPKMCBRP-JOCHJYFZSA-N 410.606 3.551 0 50 HHAA Fc1ccc(Cc2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)cc1 169769233 QVISFGNZSCOQID-KRWDZBQOSA-N 411.824 3.983 0 50 HHAA COC(=O)c1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc1 253411923 PHNCUILOSDPKJN-SFHVURJKSA-N 402.402 3.851 0 50 HHAA biogenic COc1cc(CN(C)C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)ccc1O 1465842472 XTJGQUFJEYIMIN-UHFFFAOYSA-N 421.375 3.962 0 50 HHAA Cc1cc(-c2noc(CN(C)S(=O)(=O)c3ccc4ccccc4c3)n2)cc(C)n1 1875262737 NTKCDWFFALGVDO-UHFFFAOYSA-N 408.483 3.722 0 50 HHAA CC[C@@](O)(CNC(=O)c1cnc(OCc2ccccc2)cn1)c1ccc(Cl)cc1 1875329763 IIKWUXGAZARHGC-JOCHJYFZSA-N 411.889 3.737 0 50 HHAA COC(=O)Cn1ncc2ccc(NC(=O)CCc3ccc(Br)s3)cc21 2325861001 BQMANVKMEIUTGC-UHFFFAOYSA-N 422.304 3.605 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 1173139 XUHKOPBLUKXPLN-UHFFFAOYSA-N 410.495 3.670 0 50 HHAA CCn1cc(Br)c(-c2nnc(-c3ccc(OC(F)F)c(OC)c3)o2)n1 2805128 QYQHCGQSEAWQNV-UHFFFAOYSA-N 415.194 3.993 0 50 HHAA COc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 4412821 OKPYFMILDBPJLM-UHFFFAOYSA-N 405.454 3.503 0 50 HHAA O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1ccco1)NC(=O)c1cccs1 4802026 BLWWFYQKPTZKJN-CPNJWEJPSA-N 405.479 3.952 0 50 HHAA O=S(=O)(NC[C@H]1CCCN(C/C=C/c2ccccc2)C1)c1cccc2cccnc12 11879234 NBHNZGBDSRQDCF-VMLCMGRWSA-N 421.566 3.939 0 50 HHAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ocnc2C)CC1 12030596 QZDGNTTUDNKKMO-QFIPXVFZSA-N 411.546 3.825 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@@H](CCC(=O)NCc3cccc(OC)c3)C2)cc1 12297450 UOIGHMYZAOUXQP-IBGZPJMESA-N 424.541 3.790 0 50 HHAA CC(C)CN1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 14533781 DZBRAEBIWUOCLF-UHFFFAOYSA-N 420.557 3.579 0 50 HHAA COc1ccccc1N1C[C@@H]2C[C@@H](c3cccn3-c3nccs3)N3CCC[C@@]23C1=O 15063883 VWKSUZNIBQKACA-NVVBAYIOSA-N 420.538 3.885 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2n[nH]c3ccccc23)C1 15066524 BFXCWPCAOILHAS-DEOSSOPVSA-N 405.498 3.900 0 50 HHAA CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)[C@@H](C(=O)O)C1 17082479 HMUFGBIGWBOOGP-GJZGRUSLSA-N 402.516 3.515 0 50 HHAA COc1cc2c(cc1CN[C@H]1CCCN(c3ccc(C(F)(F)F)cn3)C1)OCO2 19223093 ZGTWOWATIZMULZ-HNNXBMFYSA-N 409.408 3.596 0 50 HHAA OCc1ccc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 20386096 VKYYEWBBFFOSJA-LJQANCHMSA-N 423.479 3.577 0 50 HHAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(N3CCCCC3)ccc2Cl)on1 96152581 XSLKGSWUPNTFKR-QRWLVFNGSA-N 403.910 3.614 0 50 HHAA CN(C)CCc1ccc(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 170604610 LHXHEJGKXFLLBG-UHFFFAOYSA-N 412.921 3.743 0 50 HHAA O=C1Nc2ccccc2[C@]12C[C@@H]2c1ccc2[nH]nc(I)c2c1 215766262 NZWUONSEXBGACW-PXAZEXFGSA-N 401.207 3.545 0 50 HHAA COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)C(C)C)c1 252470069 YOALAXPMLMCCLS-MNDCFMPDSA-N 416.562 3.933 0 50 HHAA COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H](C)CCOc1ccccc1 427073931 TTWHNVIQFZWESO-YCRPNKLZSA-N 412.461 3.613 0 50 HHAA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)n[nH]1 471500793 OMLWZMZDHAKZKQ-SNVBAGLBSA-N 419.425 3.920 0 50 HHAA COc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)Cc2ccccc2)c2ccccc12 484879416 VQWZBCHYOUFSPH-KRWDZBQOSA-N 413.495 3.603 0 50 HHAA O=C1CCCc2cc(C(=O)N3CCNC(=O)[C@H]3c3ccc(C(F)(F)F)cc3)ccc21 491160230 HPQMYFASWUTIFR-LJQANCHMSA-N 416.399 3.538 0 50 HHAA O=C(OCc1nc2ccc(Cl)nc2[nH]1)c1nnn(-c2ccc(F)cc2)c1C1CC1 2325703710 CKCCSMVLIUYPAJ-UHFFFAOYSA-N 412.812 3.566 0 50 HHAA COC(=O)C[C@H](CC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)NC(=O)OC(C)(C)C 2325820416 USCVQIPQBHHYEP-XIRDDKMYSA-N 424.925 3.549 0 50 HHAA COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(C)c(Br)c2)c1 675523 QVCOTADMUNASKL-UHFFFAOYSA-N 409.305 3.902 0 50 HHAA C[C@@H](C(=O)Nc1cccnc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 789106 HBMYHVGEMRTCDB-INIZCTEOSA-N 411.483 3.667 0 50 HHAA Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)c1 2982191 YLJMIFWMAFWXDG-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA C[C@H](NC(=S)N1CCN(C(=O)c2ccco2)CC1)C12CC3CC(CC(C3)C1)C2 4993469 MJQWYJYQTKXFEN-BZSISCHUSA-N 401.576 3.517 0 50 HHAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc1 8660941 YXGBORLPUGNSBG-NRFANRHFSA-N 424.453 3.575 0 50 HHAA COc1cc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c(OC)cc1Cl 9340708 CFCMMNPDBSVNIU-UHFFFAOYSA-N 402.878 3.848 0 50 HHAA CCOc1cc(CN2CCc3c(cnc(C)c3CNC(=O)c3ccco3)C2)ccc1O 12052991 FMKCZJQUKIDWAJ-UHFFFAOYSA-N 421.497 3.576 0 50 HHAA O=C(Cn1cc(NC(=O)c2ccco2)cn1)NCC(c1ccccc1)c1ccccc1 12244319 MUMGOPLVSRWGMJ-UHFFFAOYSA-N 414.465 3.677 0 50 HHAA O=C(c1ccccc1-c1ncc[nH]1)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 12430152 GSBXFWAGZUXBFV-QHCPKHFHSA-N 411.452 3.812 0 50 HHAA Cc1cc(C)n([C@H](C)C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)n1 12459387 ZTDJXOJPWTXLMQ-LJQANCHMSA-N 400.542 3.613 0 50 HHAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(C[C@@H]3CCOC(C)(C)C3)CC2)c1 12474871 HKULRZNSIOJKQI-QGZVFWFLSA-N 416.562 3.636 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 12478014 OHCIHOOLJBDJLM-INIZCTEOSA-N 424.467 3.760 0 50 HHAA Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3c(=O)[nH]cnc32)cc1 20394332 OUOOWOWPNASCTM-UHFFFAOYSA-N 419.510 3.765 0 50 HHAA O=C(c1nc2ccc(Cl)cn2c1CN1CCSCC1)N1CCCCCCC1 20999897 PKNKGKUUDSSCFJ-UHFFFAOYSA-N 406.983 3.943 0 50 HHAA O=C(C1CCN(C2CCN(Cc3ccc4cc(F)ccc4n3)CC2)CC1)N1CCCC1 36385700 UVAQHXDZXNMVIP-UHFFFAOYSA-N 424.564 3.673 0 50 HHAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)n1 49551018 VWHCYSOIMKNVHT-UHFFFAOYSA-N 421.350 3.716 0 50 HHAA O=C(c1ccccc1OC1CCN(Cc2ccc3nonc3c2)CC1)N1CCCCC1 55254011 QKBUYCBGCNSPBP-UHFFFAOYSA-N 420.513 3.892 0 50 HHAA CCCCOC(=O)c1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)cc1 100662859 PJNDYLLWJBSWLI-UHFFFAOYSA-N 420.465 3.863 0 50 HHAA biogenic COc1cccc(C(=O)COc2cccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)c2)c1 101881696 GTGBHQGKSNTZNE-LPTQZCDUSA-N 407.466 3.883 0 50 HHAA CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCN(CCOc3ccccc3)CC2)C1 170601576 TZHHDYLYCHYHPN-NRFANRHFSA-N 417.594 3.720 0 50 HHAA O=C(OCc1ccc(Br)cc1F)[C@H]1CCCN(C(=O)c2ccncc2)C1 170616589 HUFRVXJXAICTOV-AWEZNQCLSA-N 421.266 3.579 0 50 HHAA O=C(CCn1ccc2c(Br)cccc21)N[C@H](Cc1ccccc1)C(=O)O 206414595 XEXCPYUXIPQUCV-QGZVFWFLSA-N 415.287 3.606 0 50 HHAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC12CCN(Cc1ccc3c(c1)CCO3)CC2 299794040 IZLYMFGBCICAKV-IBGZPJMESA-N 406.482 3.591 0 50 HHAA CSc1ccc2cc(CN[C@H]3CC[C@H](O)CC3)c(=O)n(Cc3ccncc3)c2c1 824939781 YCFVSWFMCDHLSY-MXVIHJGJSA-N 409.555 3.560 0 50 HHAA O=S1(=O)N(C[C@H]2CC2(Cl)Cl)c2ccccc2N1C[C@H]1CC1(Cl)Cl 913549349 QMLFJGALGOVRPU-NXEZZACHSA-N 416.157 3.945 0 50 HHAA CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1csc(S(C)(=O)=O)c1 1319641315 FRMLXULCXXWHDL-UHFFFAOYSA-N 414.480 3.890 0 50 HHAA Cn1cc([C@H](NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c2ccccc2)cn1 1323278636 OEFHAJVJOAWFIR-RBUKOAKNSA-N 418.419 3.561 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 1875373823 PTIFQZPRFKACRC-LJQANCHMSA-N 402.853 3.842 0 50 HHAA Cc1cc(=N[C@H]2CCCN(c3ccnn3C)C2)c2cc(Br)ccc2[nH]1 2325826836 NUDGXPJSEFMJOR-HNNXBMFYSA-N 400.324 3.542 0 50 HHAA O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCCCCC1 666102 DFAHRXVGJZJAFJ-UHFFFAOYSA-N 400.544 3.500 0 50 HHAA CCNC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 858401 PYKYTTQVPBPXLX-UHFFFAOYSA-N 418.515 3.655 0 50 HHAA COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1 888831 BQFZNPLIXDNGJY-UHFFFAOYSA-N 400.525 3.953 0 50 HHAA COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 1131078 ZWOXUDCUDQGIDN-UHFFFAOYSA-N 404.466 3.929 0 50 HHAA Cc1ccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 1139326 LDRGPNPZOXNXQY-UHFFFAOYSA-N 414.571 3.943 0 50 HHAA Cc1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc1-c1ccccc1 1196480 LIBKWFIOZQXXIE-UHFFFAOYSA-N 401.513 3.621 0 50 HHAA CCCO[C@@H]1C[C@@H](C(=O)N2CCC(C)CC2)CC[C@H]1Nc1cc(C2CC2)ncn1 2356153324 BENSCIPYQAAJRK-QKNQBKEWSA-N 400.567 3.988 0 50 HHAA CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)c1ccccc1 4387610 ALDPXWCYQNSIQJ-GOSISDBHSA-N 404.532 3.858 0 50 HHAA O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 4738693 QKGRCQJJEOLHDM-HXUWFJFHSA-N 418.428 3.587 0 50 HHAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2ccccc2)C1)c1ccccc1 110886484 XKSMGRAMABZIDW-BJKOFHAPSA-N 413.521 3.741 0 50 HHAA COc1cccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1OC 9311721 XUZQVARHCNMUHU-XNTDXEJSSA-N 417.259 3.559 0 50 HHAA O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)N[C@H]1CCCc2c1[nH]c1ccccc21 409414860 PVOZFWQMQGFNGX-PMACEKPBSA-N 416.481 3.567 0 50 HHAA Cn1cc(Br)c(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)n1 652560 UYLRKXVPJLIXBB-UHFFFAOYSA-N 410.275 3.833 0 50 HHAA O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1cccnc1Cl 4285720 MBFPTWMLBRMWGD-UHFFFAOYSA-N 406.920 3.643 0 50 HHAA COc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCCCCC3)c2)c(OC)c1 71589485 GXFCBKULRJZZAK-UHFFFAOYSA-N 419.499 3.634 0 50 HHAA Cc1nc(N2CCN(C(=O)CCC3CCCCC3)CC2)cc(-n2cnc(C)c2C)n1 77137505 VGQZYDFQPQVFHA-UHFFFAOYSA-N 410.566 3.597 0 50 HHAA O=C(CCn1ccc2cc(Br)ccc21)NC[C@H]1CC[C@H](C(=O)O)CC1 245256777 SPQRHRDJNDPTTO-HDJSIYSDSA-N 407.308 3.801 0 50 HHAA O=C(c1cccnc1)[C@H]1CCCN(C(=O)[C@H]2CC(Cc3ccccc3Cl)=NO2)C1 299767214 PLRIBXKOTYYMEY-FXAWDEMLSA-N 411.889 3.544 0 50 HHAA C[C@@H](O)[C@](C)(CNC(=O)c1cccc(NC(=O)c2ccco2)c1)Cc1ccccc1 170611681 SEFOUZGVVRXVEP-OSPHWJPCSA-N 406.482 3.892 0 50 HHAA Cc1cc(C)c2c(CC(=O)N(Cc3ccncc3)C[C@@H]3CCC(=O)N3)coc2c1C 1506399303 DPHRNDSIWZGNAP-FQEVSTJZSA-N 405.498 3.603 0 50 HHAA COc1ccc2c(C)nc(N3CCC[C@@H](C(=O)NCc4cccc(C)c4)C3)nc2c1 11789020 RLWVHISALAREGQ-LJQANCHMSA-N 404.514 3.788 0 50 HHAA COc1ccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CCC2=O)cc1 12508567 WQGJJSJDKVHNPR-UHFFFAOYSA-N 406.404 3.589 0 50 HHAA COc1ccc(CN2C(=O)CC[C@@H]3CN(Cc4ccsc4)CC[C@@H]32)cc1OC 12572185 JBTFJKNGAKLCRE-MOPGFXCFSA-N 400.544 3.778 0 50 HHAA Cc1cc(=O)c(C(=O)N2CCCC2)c(CCc2ccccc2)n1Cc1ccccn1 12572807 CLUYGISKZKJPLN-UHFFFAOYSA-N 401.510 3.621 0 50 HHAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3ccc(OC(F)F)cc3)C2)CC1 12705284 JCLCDNGOJFPAIX-SFHVURJKSA-N 423.548 3.833 0 50 HHAA CC[C@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C 14539304 OVEMZPZLQDKVKL-IBGZPJMESA-N 400.567 3.568 0 50 HHAA COCCOC1CCN(C(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)CC1 15071386 YQKNDCJPSDEQCN-UHFFFAOYSA-N 412.461 3.825 0 50 HHAA O=C(c1ccc(Cl)cc1)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169778030 HLGBCCCGGDVUJA-QGZVFWFLSA-N 420.860 3.736 0 50 HHAA Cc1ccccc1C(=O)N1CCC[C@@]2(CN(Cc3ccncc3Cl)CC[C@H]2O)C1 1857691254 CATHAYLZZHLTIY-FYYLOGMGSA-N 413.949 3.533 0 50 HHAA O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)oc1N1CCOCC1 12374735 DUQHWNIUDVNESZ-UHFFFAOYSA-N 422.865 3.804 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1C[C@@H]1c1cccs1 1857798525 LTFCLOZFGILUAA-UONOGXRCSA-N 405.526 3.748 0 50 HHAA O=C(NCCCCn1cc([C@@H]2CCCC[C@H]2O)nn1)C(F)(F)/C=C/c1ccccc1 2325870932 VGMJOTAEYKRJTE-JEFIDEPBSA-N 418.488 3.542 0 50 HHAA Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)cc1 786436 UUOQGDMVKSQTLM-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)c1 1188521 LMNMIBGZBLXLAU-LJQANCHMSA-N 415.877 3.932 0 50 HHAA COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1cccs1 2436435 SGCRHGXSRDYQKI-UHFFFAOYSA-N 405.479 3.601 0 50 HHAA COCCN1C=C(C(=O)OC)C(c2ccc(-c3ccccc3)cc2)C(C(=O)OC)=C1 2805648 DHKXUYQIKKQTRS-UHFFFAOYSA-N 407.466 3.513 0 50 HHAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2cccc(Br)c2)NC(=S)N1 4806954 GSTOFBBMTINCGD-KRWDZBQOSA-N 416.344 3.558 0 50 HHAA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nnc(SCCOC)s2)c1 4814268 LVGCPHBRIOPYGJ-UHFFFAOYSA-N 408.549 3.904 0 50 HHAA CCCN1C(=O)[C@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)NCC 6624496 SBGOEDUILISTQX-DEOSSOPVSA-N 402.498 3.756 0 50 HHAA biogenic CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 12003520 BSWRTNMRHAGTJH-UHFFFAOYSA-N 406.891 3.530 0 50 HHAA COc1cc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCCN24)ccc1O 12056128 MPLJXJCXOQOECT-XLOVMUMPSA-N 418.537 3.988 0 50 HHAA CN(CC1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)c1[nH]nc2c1CCCC2 12316965 RURVMCMASYUQLR-UHFFFAOYSA-N 414.981 3.969 0 50 HHAA CCc1cc(C(=O)N(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)n(C)n1 12711081 MSDJTYNFHNNGFM-UHFFFAOYSA-N 402.970 3.663 0 50 HHAA CCC(CC)CNc1cnc2c(c1)c(NC(C)=O)c(C(=O)OC)n2C[C@@H]1CCCO1 14535542 RLJHJSHWBYOZSQ-KRWDZBQOSA-N 416.522 3.808 0 50 HHAA COc1ccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1OC 19559845 FPIHAFVWUBSXMY-UHFFFAOYSA-N 408.420 3.681 0 50 HHAA COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc(OC)c3OC)N3CCC[C@@]23C1=O 19607480 PNKQACKPLDHFOE-KHOMTPLRSA-N 422.525 3.650 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1Cl 39551437 QKEGFQFVVHLSAX-RXVVDRJESA-N 421.919 3.876 0 50 HHAA O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C(=O)[C@@H]2CCOC2)CC1 77383584 WKRPXPVRBSSKBU-QGZVFWFLSA-N 412.461 3.832 0 50 HHAA COc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)c2)c1 100888358 KQDZIQOOXXYAJF-LWILDLIXSA-N 402.450 3.649 0 50 HHAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Nc1ccc(N3CCCCCC3)cc1)CC2 170619504 YAOGWEDPABODEH-LEWJYISDSA-N 401.551 3.851 0 50 HHAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(Br)c(Br)c1 239331316 KLVKTRVXZIEBTC-GYBADROVSA-N 415.081 3.673 0 50 HHAA COc1ccc(Cl)cc1CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)c1C 252488164 IMEWYVWVOIVROL-UHFFFAOYSA-N 405.285 3.885 0 50 HHAA COc1ccc(OC)c([C@@H](O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1 263616928 LFVMDXFBDNIYFQ-QFIPXVFZSA-N 419.481 3.531 0 50 HHAA O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cnc(Cc2ccccc2)s1 431444403 KDYWCZVWMIQUSO-SFHVURJKSA-N 405.479 3.641 0 50 HHAA Cc1ccnc(N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4n3C)CC2)c1 484310197 XQZQCAHAEYTCEN-UHFFFAOYSA-N 402.420 3.863 0 50 HHAA CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 756024602 SVEITPPCCRSYPV-DENIHFKCSA-N 412.505 3.935 0 50 HHAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCN(c2ncccc2Cl)CC1 952973736 VDVXOZNLRBHFBP-UHFFFAOYSA-N 405.329 3.951 0 50 HHAA CC1=C(CN2C[C@H]3CN(C(=O)c4cnsc4)C[C@@]3(CN(C)C)C2)C(C)(C)CCC1 1772814075 ILXHUMYDCIBOEN-WMZHIEFXSA-N 416.635 3.605 0 50 HHAA Cc1cccc(C2=CC(=C(O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)N=N2)c1O 2082945822 LVEVQYWPKYGXCH-AWEZNQCLSA-N 415.471 3.517 0 50 HHAA O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(-c2ccc(O)nc2)c1 2325853829 CYNHYXPPEWUPPU-UHFFFAOYSA-N 414.465 3.810 0 50 HHAA O=S(=O)(c1c(O)cc(Cl)cc1Cl)N(C[C@H](O)c1ccc(F)cc1)C1CC1 2325874423 MGOHFIHKFMXBJA-INIZCTEOSA-N 420.289 3.725 0 50 HHAA O=C(O)C[C@@H](NC(=O)Cn1ccc2ccc(Br)cc21)c1cccc(F)c1 2325875879 DQCVLNCTMGKUBW-MRXNPFEDSA-N 419.250 3.875 0 50 HHAA O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)NCc1ccc2c(c1)OCO2 807949 VNIUKTPMIGJKFV-UHFFFAOYSA-N 412.445 3.917 0 50 HHAA O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1cccnc1 1110422 MLTZWKNHYGUCPE-QHCPKHFHSA-N 406.869 3.785 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 2356151795 ZNKRXWGAYWLRDS-UHFFFAOYSA-N 420.509 3.526 0 50 HHAA O=C(CCC(F)(F)F)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356153883 YMIKHMSNYADFSY-XWSJACJDSA-N 408.464 3.800 0 50 HHAA COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O 4873206 HMAWIMCCVMFZFB-LICLKQGHSA-N 401.415 3.614 0 50 HHAA CC(C)NC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)s1 20455894 OXPMJMLIYBYABF-OAHLLOKOSA-N 400.500 3.521 0 50 HHAA Cc1nn(C)cc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1 60328762 JHDZMASHNBKTPS-UHFFFAOYSA-N 403.530 3.943 0 50 HHAA in-vitro CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)O)c2C(N)=O)C1 17091530 VLLUAGVDCRMXJZ-MVWHDRDWSA-N 418.559 3.828 0 50 HHAA CCOc1ccc(N2C(=O)C[C@@H](Sc3nc(C)c4cc(OC)ccc4n3)C2=O)cc1 96501763 QGQFZCANIUJKSK-LJQANCHMSA-N 423.494 3.770 0 50 HHAA CC(C)c1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc5c(c4)OCO5)ccn3n2)cc1 263616112 HDIKGWHYHFTTIF-OAQYLSRUSA-N 417.465 3.749 0 50 HHAA CCCc1sc(NC(=O)CCCN2CCOCC2)nc1-c1ccc(OC)cc1 1940195588 ZODCIHSZYBPMEH-UHFFFAOYSA-N 403.548 3.822 0 50 HHAA O=C(c1ccccc1N1CCOCC1)N(CCc1ccccc1)Cc1ccccn1 828182355 PVWVBLICDJAPTK-UHFFFAOYSA-N 401.510 3.803 0 50 HHAA Cc1ncnc(N2CCN(C(=O)C[C@@H](Cc3ccccc3)c3ccco3)CC2)c1C 952966231 IKEBTKAHWNNKEI-OAQYLSRUSA-N 404.514 3.752 0 50 HHAA COc1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1-n1nnnc1C 170635818 NKKNZYXUIBVODV-STQMWFEESA-N 401.829 3.514 0 50 HHAA C[C@H](NC(=O)N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(-c2ccncc2)cc1 754664415 VLMDZWUUQUNHAS-PDIWNELESA-N 405.498 3.593 0 50 HHAA Cc1noc(C)c1CCC(=O)NC[C@@H](CN1Cc2ccccc2C1=O)c1ccccc1 1775942488 SGMAGOSAIIGJII-NRFANRHFSA-N 417.509 3.780 0 50 HHAA CN(CC1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c2c1CCC2 11664868 ALRHNEWFXDGHNG-UHFFFAOYSA-N 400.954 3.579 0 50 HHAA CN1CCC[C@]2(CCCN(Cc3nc(Cc4cccc(C(F)(F)F)c4)no3)C2)C1 12715673 DFZYFWYFYCQVCS-FQEVSTJZSA-N 408.468 3.987 0 50 HHAA O=C1NCCN1c1ccc(CN2CCC[C@](CO)(CCCc3ccccc3)C2)cc1 12762816 UTOBZSYFHQKVIW-RUZDIDTESA-N 407.558 3.814 0 50 HHAA CC(C)N1C(=O)N(C)C2(CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)C1=O 14532126 LHFIESINGNGTTO-UHFFFAOYSA-N 403.526 3.895 0 50 HHAA Cc1c(C(=O)N2CCN(C)CC2)sc2ncnc(N[C@@H](C)c3cccs3)c12 14975437 PIDVXRSPYFPJPH-ZDUSSCGKSA-N 401.561 3.622 0 50 HHAA O=C(CCSc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19973436 LPLOEUBPAOXHHN-UHFFFAOYSA-N 418.946 3.895 0 50 HHAA CN1CC[C@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)[C@@H](c2cnn(C)c2)C1 849577077 GMDSLCLTSYCIFA-XZOQPEGZSA-N 400.526 3.712 0 50 HHAA O=C(Nc1ncc(Cc2ccccc2Br)s1)c1cnn2cccnc12 1875254634 YEIAHKCIUSWPFE-UHFFFAOYSA-N 414.288 3.791 0 50 HHAA O=C(c1ccc(-c2cn[nH]c2)cc1)N1CCc2ccc(Br)cc2[C@H]1CO 2325839941 JXHLJCKPDKKAOZ-LJQANCHMSA-N 412.287 3.571 0 50 HHAA COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OC 701942 YADKXZUKHSPQHF-SFHVURJKSA-N 417.918 3.789 0 50 HHAA CC1=C(C)C[C@H](C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)[C@@H](C(=O)O)C1 915937 LVFLAQWNCZHCGE-PMACEKPBSA-N 418.449 3.873 0 50 HHAA O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 2830630 MJQZTKXIBZYCHP-LFIBNONCSA-N 406.507 3.860 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccccc2)cc1CN1C(=O)c2ccccc2C1=O 2851749 JEOSMSMCFPSIKN-UHFFFAOYSA-N 406.463 3.592 0 50 HHAA Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 2871254 LYULKGIYAYHAQR-CQSZACIVSA-N 410.898 3.827 0 50 HHAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc1OC 4672239 ZFFASVBUFWWVMU-JOCHJYFZSA-N 424.497 3.898 0 50 HHAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Br)c2)NC(=S)N1 4680331 BDAULXNCMYDDKG-MRXNPFEDSA-N 402.317 3.881 0 50 HHAA CCCOc1ccc(-c2nc3s/c(=C/c4ccc(SC)cc4)c(=O)n3n2)cc1 5893365 QSNSZIPLHDQEPT-QGOAFFKASA-N 409.536 3.876 0 50 HHAA COCC1CCN(C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)CC1 11873556 UCWHIOKPHBQJBD-UHFFFAOYSA-N 423.557 3.624 0 50 HHAA O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cn(Cc2ccc(Cl)cc2)nn1 12090955 SAENULSHNODELC-FQEVSTJZSA-N 423.948 3.589 0 50 HHAA CC(C)c1c(C(=O)N(C)CCc2ccccn2)cnn1-c1nccc(-c2ccco2)n1 12247900 CWQIRDHVQKXONG-UHFFFAOYSA-N 416.485 3.755 0 50 HHAA CCOC(=O)c1nn(CC)c2c1CN(C(=O)[C@H]1CCCc3c1[nH]c1ccccc31)CC2 14742650 MUCBNWZOFHRULP-KRWDZBQOSA-N 420.513 3.566 0 50 HHAA O=C(Cn1nc(-c2ccc(C(=O)Nc3ccccc3)cc2)ccc1=O)Nc1ccccc1 20096096 ZHLSHHOKBDUWJZ-UHFFFAOYSA-N 424.460 3.801 0 50 HHAA Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(CN4CCOCC4)c3)sc21 20616135 FRVFEDUCQRNOER-UHFFFAOYSA-N 424.448 3.738 0 50 HHAA CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 139052587 KNOPBCQEJBVYKI-LWWSYDQCSA-N 403.456 3.870 0 50 HHAA Cc1noc2nc(C(C)C)cc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)c12 170613556 MXVFHURRBLVQAD-LJQANCHMSA-N 422.529 3.676 0 50 HHAA CC(C)(C)OC(=O)NC[C@H](NC(=O)CCc1nc2ccccc2[nH]1)C1CCCC1 170614910 SAMXNNQGKUJMFK-SFHVURJKSA-N 400.523 3.695 0 50 HHAA Cc1nn2cc(CCCOC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)cnc2c1C 170621426 ZOCZRGOLQPUPKG-CQSZACIVSA-N 410.499 3.568 0 50 HHAA CCn1ccnc1CN(C(=O)C(C)C)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 225669161 KNJRCZOOZMMQJL-KRWDZBQOSA-N 404.555 3.677 0 50 HHAA O=C(C[C@H](c1cccs1)n1cccc1)NCc1ccccc1CN1CCC[C@H]1CO 230247872 QZBGWHXOWHIDJF-FCHUYYIVSA-N 423.582 3.802 0 50 HHAA COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)c1 238882256 CXQYYROFFWGQCQ-VAMGGRTRSA-N 406.463 3.808 0 50 HHAA aggregator O=C([C@H]1CC[C@H](O)CC1)N1CCC([C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 244882601 XUVYDNDYBJRWPV-KCZVDYSFSA-N 404.982 3.952 0 50 HHAA Cc1nc(CNC(=O)CCNC(=O)c2cccs2)oc1-c1ccc(Cl)cc1 473601155 SVGNEDLWZRYXRT-UHFFFAOYSA-N 403.891 3.801 0 50 HHAA O=C(CSC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCN(C(=O)c2ccco2)C1 828012960 BYNLDJKBFZBUIB-XDHFQJGLSA-N 402.560 3.702 0 50 HHAA O=C(NCc1noc([C@@H]2CCCO2)n1)c1ccccc1-c1nc(-c2ccccc2)no1 952981239 VHZGFQRKPWZROO-KRWDZBQOSA-N 417.425 3.568 0 50 HHAA O[C@]1(Cn2ccnc2-c2ccccc2OCc2c(F)cccc2Cl)CCNC1 1857709340 RULDOIGCATWASC-OAQYLSRUSA-N 401.869 3.646 0 50 HHAA COc1ccc2[nH]ccc2c1NC(=O)[C@@H]1C[C@H]1C(=O)Nc1c(OC)ccc2[nH]ccc12 2325739409 PLMGJYLJWAFTQF-HUUCEWRRSA-N 418.453 3.880 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 2356141976 YJZFMRVYWRMQOH-UHFFFAOYSA-N 420.553 3.995 0 50 HHAA CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1cccc(C)c1 976326 XVYXYBDZHBRSDJ-UHFFFAOYSA-N 410.499 3.791 0 50 HHAA Cc1cccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c1C 1137546 ODHCPUFABUUXAU-UHFFFAOYSA-N 423.472 3.841 0 50 HHAA Cc1ccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@@]2(O)C(F)(F)F)o1 4163656 LFPZJDCQIUXPQO-OAHLLOKOSA-N 417.181 3.852 0 50 HHAA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)cc2)CC1 4736775 INTXDIUSJUTNDJ-UHFFFAOYSA-N 401.894 3.660 0 50 HHAA COC(=O)c1ccc(CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 5008396 MWFJDNNVKDCINK-UHFFFAOYSA-N 411.479 3.877 0 50 HHAA Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)c1cccc(-n3cccn3)c1)C2 11971573 XBCHROXHXQUHKD-NRFANRHFSA-N 410.477 3.976 0 50 HHAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 12094218 SNASIBOVFYUCJZ-LJQANCHMSA-N 423.575 3.597 0 50 HHAA COc1ccc(OC2CCN(c3nncc(-c4c(OC)cccc4OC)n3)CC2)cc1 12302138 ZNIBKVRMTOJBRQ-UHFFFAOYSA-N 422.485 3.612 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)N[C@H](C)c2cccs2)c1=O 14887617 FTEXOJAILRFCSL-OAHLLOKOSA-N 403.548 3.710 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)O)c2C(=O)NC2CC2)C1 17087459 BMWHUZSKPRUPHD-GFCCVEGCSA-N 406.548 3.985 0 50 HHAA Cc1ccccc1NC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CCCCC2 17090669 UDDTWOWYHADDAX-UHFFFAOYSA-N 416.499 3.617 0 50 HHAA Cc1ccc2nc(-c3cnn(C)c3)cc(C(=O)N(Cc3nccn3C)C(C)C)c2c1 63884218 SOKGSMNBFRWPCB-UHFFFAOYSA-N 402.502 3.728 0 50 HHAA COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1 64725931 IFMQODYDAUKKEN-UHFFFAOYSA-N 407.489 3.540 0 50 HHAA in-vitro Cc1cnc(C(=O)N2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)cn1 67879588 USTCHMHMZIXKKZ-UHFFFAOYSA-N 418.478 3.802 0 50 HHAA COc1ccccc1-c1noc(-c2nnn3c2CO[C@H](c2ccc(C)cc2C)C3)n1 169759068 LYMPHFKNTKRARR-IBGZPJMESA-N 403.442 3.892 0 50 HHAA COc1ccccc1CCC(=O)N1CCC2(CC1)NC(c1ccc(Cl)cc1)=NO2 169775227 DYXZDXQSAFWFCI-UHFFFAOYSA-N 413.905 3.582 0 50 HHAA CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 170640310 UYIXSMGFFKBCKE-QRWLVFNGSA-N 400.475 3.684 0 50 HHAA O=C(CN1CCC[C@@](O)(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 225674744 MGJIIOPJSSOTGX-FQEVSTJZSA-N 408.420 3.897 0 50 HHAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 230209565 ZMAAWEUOIJRTAO-YAKVFXAGSA-N 408.498 3.795 0 50 HHAA COc1cccc(CCc2nnc(CCC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C43CC3)o2)c1 247910339 KEEMSUOSGCLPOP-BJLQDIEVSA-N 407.514 3.515 0 50 HHAA COc1cccc(-c2cc3c(=O)n(C[C@H](O)c4c(C)cc(C)cc4C)ccn3n2)c1 263618345 SMZLIAJGDLYJJD-QFIPXVFZSA-N 403.482 3.830 0 50 HHAA FC(F)(F)c1ccc(N2CCC(NCc3csc(-c4cnccn4)n3)CC2)nc1 825717078 ACENYZUXJVVDAK-UHFFFAOYSA-N 420.464 3.773 0 50 HHAA Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)c2)n1 952985705 CRBQYUHWOIAMCG-MRXNPFEDSA-N 404.470 3.544 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCCO[C@@H](c3ccccc3)C2)(c2ccccc2)CC1 1443581462 KWEQQMPOBMFHBS-HSZRJFAPSA-N 418.537 3.723 0 50 HHAA C[C@H]1Cc2cc(-n3ccnc3-c3ccc(OCCN4CCOCC4)cc3)ccc2O1 1772809362 UXUOYWVFJCMNMR-SFHVURJKSA-N 405.498 3.574 0 50 HHAA CCCCCc1nc(C2CCN(c3nc4nc(C)ccc4o3)CC2)n(CCOC)n1 1857680763 UQLFTSYRSBGLGX-UHFFFAOYSA-N 412.538 3.886 0 50 HHAA Cc1nc(C(C)C)sc1C(=O)N1CCCCNC(=O)C[C@@H]2CCCCN2CCC1 2100532929 MNIXGXQTYYHLIX-SFHVURJKSA-N 420.623 3.562 0 50 HHAA COc1cc2nc(N(C)Cc3cc(F)cc(C(F)(F)F)c3)[nH]c(=N)c2cc1OC 2325824592 IFJICMJSSIDCHT-UHFFFAOYSA-N 410.371 3.854 0 50 HHAA COc1ccc(Br)c2c1[C@H](NC(=O)c1ccc(CCC(=O)O)cc1)CC2 2325827744 PBFJMARVAGLIPI-MRXNPFEDSA-N 418.287 3.892 0 50 HHAA O=C(N[C@]1(C(=O)O)CCCC2(CCC2)C1)c1cnc2ncc(Br)cc2c1 2325851592 DEVCFRLJWGLOPD-LJQANCHMSA-N 418.291 3.690 0 50 HHAA CCc1ncnc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)c1F 2356155680 JDUPXZVBKNOZDE-ZFMNYDKASA-N 408.521 3.627 0 50 HHAA C[C@@H]1CCc2c(sc(NC(=O)c3cc4cc(Cl)ccc4oc3=O)c2C(N)=O)C1 1056506 ZKSRBRMWSXSRBJ-SECBINFHSA-N 416.886 3.984 0 50 HHAA CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccccc3Br)N2C1=O 2463396 VICSZUHJKJVOTO-JSGCOSHPSA-N 409.305 3.661 0 50 HHAA O=C(NC(=S)NNc1nc(-c2ccccc2)cs1)c1cc2ccccc2oc1=O 22130653 DTZWNHSQPDWUKO-UHFFFAOYSA-N 422.491 3.548 0 50 HHAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl 229765992 APZQJYMEOLWFTA-LNHVQRHZSA-N 404.725 3.704 0 50 HHAA O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)/C=C/c2ccccc2)CCCN1 14652472 OROFOUPCOTVAJQ-WOOPDLCSSA-N 405.542 3.550 0 50 HHAA biogenic,in-vitro COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(Cl)nc(N2CCCC2)c1 241316833 LVGNGHATCOHGGU-HNNXBMFYSA-N 401.894 3.539 0 50 HHAA Cc1ccc(OCn2ccc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)n2)c(C)c1 20028716 HQNIATWESJLRET-UHFFFAOYSA-N 422.504 3.634 0 50 HHAA CCOc1ccc2oc(=O)cc(CN3CCN(Cc4ccc(OC)cc4)CC3)c2c1 22752854 IGQOSHNIDKUQAM-UHFFFAOYSA-N 408.498 3.518 0 50 HHAA biogenic,in-vitro COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)c1 239432881 WTVQUSKAZVHUDT-YPAWHYETSA-N 418.424 3.885 0 50 HHAA O=C1CC[C@@H]2[C@H](C1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)[C@@H]2C(=O)O 238789992 NIRUKWHZKOUGIS-YGHRGLEHSA-N 405.450 3.690 0 50 HHAA CCc1nn2c(c1C(=O)NCc1ccc(OC)cc1OC)N[C@@H](c1ccccc1)C2 263616915 LEPCWTIORBHLDQ-LJQANCHMSA-N 406.486 3.560 0 50 HHAA CC(=O)N(C)CCc1nc(-c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)cs1 408518882 HCHMNSDBGLCNID-UHFFFAOYSA-N 408.738 3.722 0 50 HHAA CCCCn1ncc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1 1529198978 QYCJDLREXRKNGE-CQSZACIVSA-N 404.898 3.645 0 50 HHAA Cc1cc(=O)c(C(=O)N2CCCC2)c(CCc2ccccc2)n1Cc1ccncc1 11790899 QLEMYGLDHOLOEB-UHFFFAOYSA-N 401.510 3.621 0 50 HHAA COc1cccc(N2C[C@@H]3C[C@@H](c4cccc(OC)c4OC)N4CCC[C@@]34C2=O)c1 12002898 NJONVCYWAWSSHV-YFBXQHAESA-N 408.498 3.655 0 50 HHAA COc1cccc(NC(=O)N2CCc3ccc(NC(=O)c4ccncc4)cc3C2)c1 12574595 KWTYXSTVRAREFC-UHFFFAOYSA-N 402.454 3.933 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CC12CCN(C(=O)CCc1ccco1)CC2 14887683 LQRLMACEEBJURP-NRFANRHFSA-N 418.497 3.665 0 50 HHAA C[C@H]1CN(CC(=O)N2CCC([C@@H](C)N3CCCC3)CC2)Cc2cc(Cl)ccc2O1 14967641 PAVVRHKDIDMNTM-ZWKOTPCHSA-N 419.997 3.646 0 50 HHAA COc1ccccc1NC(=O)COc1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)cc1OC 428520805 XRQWBRBSUCCLCC-LPHOPBHVSA-N 424.497 3.736 0 50 HHAA C[C@@H](CC(=O)N(CCNC(=O)c1c(F)ccc2ccncc12)C1CC1)C(F)(F)F 2325828644 NKTDLGYSZBSWHR-LBPRGKRZSA-N 411.399 3.683 0 50 HHAA CC(=O)c1cccc(NC(=S)NC(=O)c2cccc(I)c2)c1 724571 UFKNNWCCTQTJDD-UHFFFAOYSA-N 424.263 3.621 0 50 HHAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc3ccccc23)cc1 1119513 ZOBMQTFGGYXTRK-OAQYLSRUSA-N 410.495 3.640 0 50 HHAA Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C1=O 5421166 HCFUKLASXKIGGT-UHFFFAOYSA-N 400.390 3.746 0 50 HHAA CCc1ccc(CN2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)o1 11950299 FEPPBQFZLGJJBI-UHFFFAOYSA-N 413.562 3.519 0 50 HHAA CCCCNC(=O)c1sc2ncnc(NC[C@H]3COc4ccccc4O3)c2c1C 11975634 VXWMBMVDVJEEQH-AWEZNQCLSA-N 412.515 3.782 0 50 HHAA Cc1nn(C)c(C)c1-c1ccnc2cc(C(=O)Nc3cc(C)n(C4CCCC4)n3)nn12 13643856 RPYVZGRBMZMJRX-UHFFFAOYSA-N 418.505 3.619 0 50 HHAA CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(CC(C)(C)C)CC2 14747853 SFBWYCQHYXGVJY-UHFFFAOYSA-N 414.594 3.815 0 50 HHAA COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC 15857609 TXXMJNCHIOTWEK-YVLHZVERSA-N 416.430 3.518 0 50 HHAA COC(=O)[C@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@H]1c1ccsc1 170601413 GFRSQZAFYQYSSU-RYUDHWBXSA-N 400.283 3.789 0 50 HHAA CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)cc1 170624668 GREVIGVBPSVSHK-ZDUSSCGKSA-N 406.438 3.643 0 50 HHAA COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)CC1=O 170629065 ZTYFFCODLHIIIU-FFSVYQOJSA-N 420.843 3.652 0 50 HHAA Cc1cccc(OCCNC(=O)[C@H](C)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 229750865 JVXJIGPPPPWFGE-LAUBAEHRSA-N 402.922 3.605 0 50 HHAA CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)O)c2C(N)=O)C1 239425908 VLLUAGVDCRMXJZ-JPMPCMLZSA-N 418.559 3.828 0 50 HHAA CC(C)(C)c1nc2ccc(S(=O)(=O)N3C[C@H](CO)c4ccccc43)cc2s1 432255786 AATPULPXDGKZDQ-CYBMUJFWSA-N 402.541 3.879 0 50 HHAA CCCc1nc(C)c(CNC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)s1 823015181 OQFRADBQQONFIE-INIZCTEOSA-N 415.559 3.861 0 50 HHAA CN1CCN(CCOc2ccccc2CN(C)Cc2cc3cc(F)ccc3[nH]2)CC1 952972873 MECZMHQQESPZTR-UHFFFAOYSA-N 410.537 3.565 0 50 HHAA CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccc3cccnc23)cc1 1458920307 AOINDJNJFRXJDP-QHCPKHFHSA-N 409.489 3.989 0 50 HHAA COc1cc(CN2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)ccc1OCc1cccc(C)c1 1529110053 KAECQZOYUHLQEJ-GGAORHGYSA-N 421.541 3.650 0 50 HHAA Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(Cc4ccccc4F)s3)CC2=O)c(C)c1 1857799744 YKVIPXSPVYOGQT-INIZCTEOSA-N 424.501 3.876 0 50 HHAA Cc1ccccc1[C@H](C)C(=O)NC[C@@H](C)CNC(=O)CCC(=O)c1cccs1 2325825865 FSINEQBALJHYES-RDJZCZTQSA-N 400.544 3.692 0 50 HHAA O=C(c1ccc(-c2cn[nH]c2)cc1)N1CCc2ccc(Br)cc2[C@@H]1CO 2325839940 JXHLJCKPDKKAOZ-IBGZPJMESA-N 412.287 3.571 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccc(F)cc2)cc1 879895 JEJSBISETQEKSN-UHFFFAOYSA-N 404.507 3.588 0 50 HHAA C[C@H](NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 1059824 YYNTYFZCCFQKLA-INIZCTEOSA-N 420.490 3.522 0 50 HHAA COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1 1066083 JFVRDIGCBVMEQH-UHFFFAOYSA-N 414.417 3.522 0 50 HHAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCCc2ccccc2)c(OC)c1 1128553 PNCCOBRIMHWZEW-OAQYLSRUSA-N 410.470 3.508 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3cn(C)c4ccccc34)C2)c2cccc(=O)n21 2356147184 LZKBZMMKVKFQCN-ZVDOUQERSA-N 403.526 3.870 0 50 HHAA COCCNC(=O)CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 2618590 RHFUSZLHDBDHDS-UHFFFAOYSA-N 408.527 3.677 0 50 HHAA CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 2886139 SODWEHBWRGBBHN-UHFFFAOYSA-N 404.532 3.569 0 50 HHAA COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)cc1 2999302 LQXGZRHOYHFIDV-OAQYLSRUSA-N 404.422 3.726 0 50 HHAA O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H](CN2CCOCC2)C1 225757712 JICYZSPQSZVRFM-OAHLLOKOSA-N 405.951 3.648 0 50 HHAA COc1cc(CN2CCN(Cc3c(F)cccc3Cl)C[C@H]2CCO)cc(OC)c1 104466547 JRNXBEGUNPVNJR-QGZVFWFLSA-N 422.928 3.565 0 50 HHAA O=C(CC[C@@H]1CCCN(C(=O)C2=CCCCC2)C1)N1CCN(Cc2ccccc2)CC1 20255364 CDVMGQXEKSYBNR-QHCPKHFHSA-N 423.601 3.850 0 50 HHAA CCCCCOc1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1 4626078 NOUKPTIOLROGNA-UHFFFAOYSA-N 420.473 3.876 0 50 HHAA COc1cc(C(=O)NCc2ccc(Cn3cc(Cl)cn3)cc2)cc(OC)c1OC 4785062 ZWBLMCBKLYJLDK-UHFFFAOYSA-N 415.877 3.541 0 50 HHAA COc1ccc(OC)c(-c2nc3cc4c(cc3cc2CN2CCCOCC2)OCO4)c1 72473167 VOYWPUJHJPUWJK-UHFFFAOYSA-N 422.481 3.870 0 50 HHAA Cc1cccc(CSc2ccccc2NC(=O)C[C@@H]2C(=O)NCCN2C(C)C)c1 952869341 HMIGFWXAJVODMB-HXUWFJFHSA-N 411.571 3.825 0 50 HHAA O=C(N[C@H]1CC[C@H](C(=O)Nc2cccc(N3CCOCC3)c2)C1)OCc1ccccc1 170595292 DFJLSAJDNMMBBF-FPOVZHCZSA-N 423.513 3.557 0 50 HHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3csc(-c4ccccc4)n3)C1)CC2 1704335567 OQRZJHFCXGMPNE-HSZRJFAPSA-N 404.539 3.958 0 50 HHAA Cc1nonc1CC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 11761451 CVUKANNUSKXDPO-SFHVURJKSA-N 405.454 3.834 0 50 HHAA Cc1cc2ccccc2n1CCNC(=O)[C@H]1CCC(=O)N(CCc2ccccc2)C1 11820858 AJWDZDJJQSYXLD-QFIPXVFZSA-N 403.526 3.547 0 50 HHAA O=C(CCC1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC(Cc2ccccc2)CC1 12031017 NMPQWTGBUDXARV-HSZRJFAPSA-N 412.574 3.666 0 50 HHAA COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(O)c(Cl)c3)N3CCC[C@@]23C1=O 12299151 FPVFUTWVQPGHPI-LTMIRXACSA-N 412.917 3.992 0 50 HHAA CCc1noc(C)c1C(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12759210 JSSBKFJDFZQYHX-QFIPXVFZSA-N 403.473 3.952 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NC1Cc3ccccc3C1)C2 14536203 WMOUUJWGAZIGOI-FQEVSTJZSA-N 406.574 3.534 0 50 HHAA O=C(N[C@@H]1CCN(c2cc(-c3ccccc3)n[nH]2)C1)c1ccc(Br)cc1 169753827 SYEVJSXXBDCENF-QGZVFWFLSA-N 411.303 3.848 0 50 HHAA O=C(COc1ccc(F)cc1)N[C@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169779673 NQLXBYLSLFEGMY-SFHVURJKSA-N 412.440 3.519 0 50 HHAA O=C(c1ccc(Cl)c(O)c1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857720555 ZMZVADUDLZNJGW-SFTDATJTSA-N 400.906 3.724 0 50 HHAA Cc1ccc2nc(O)c(CN3CC[C@@]45O[C@@H](c6ccccc6)CN4C(=O)C[C@@H]35)cc2c1 1857726454 RRFBHWXIQQYKQG-RQTOMXEWSA-N 415.493 3.523 0 50 HHAA O=C(/C=C/c1ccc(OCc2cccnc2)cc1)N1CCC(Oc2cnccn2)CC1 2325743780 MAGCUOVWEQUWCM-VMPITWQZSA-N 416.481 3.534 0 50 HHAA CCc1ccc(C(=O)NC2CCC(NC(=O)[C@@H](O)CC3CCCCC3)CC2)s1 2325853588 VUWFKVAZDJGHPH-TVPLGVNVSA-N 406.592 3.799 0 50 HHAA COc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(Br)cc2)C1=O 946303 FJQIVXKFISWLAB-UHFFFAOYSA-N 407.651 3.893 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccc(Cl)cn1 1116895 AGEOTSMDLMOHIB-UHFFFAOYSA-N 417.874 3.797 0 50 HHAA CCOc1cc(CO)cc(I)c1OCc1cccc(F)c1 1117215 DRFKEDHKEDCIFJ-UHFFFAOYSA-N 402.203 3.900 0 50 HHAA Cc1ccc(-n2ncc(C(=O)NCc3ccccn3)c2NC(=O)c2ccco2)cc1C 1123541 KMYQOYLIMRSJMS-UHFFFAOYSA-N 415.453 3.659 0 50 HHAA CCOc1ccc(Br)cc1C(=O)NCCc1ccc(OC)c(OC)c1 1129440 NCWJLFACUCALRA-UHFFFAOYSA-N 408.292 3.838 0 50 HHAA O=c1/c(=C\c2ccc(OCc3ccccc3)cc2)sc2nc(-c3ccccc3)nn12 2301589 OYWDMYLMAPBROD-RCCKNPSSSA-N 411.486 3.945 0 50 HHAA COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)c(Cl)c1 4412805 IRNKANIIEJYLKQ-UHFFFAOYSA-N 401.894 3.578 0 50 HHAA O=C(c1ccc2c(c1)OCO2)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 6445363 ATKIRMKTRBCZNR-UHFFFAOYSA-N 416.758 3.588 0 50 HHAA CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cc(C)on3)o2)sc(C)c1C 8436822 PNTNDDRUCFVMSJ-UHFFFAOYSA-N 422.488 3.619 0 50 HHAA C[C@@H]1CN(CCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)Cc2ccccc2O1 11789917 YBYYNOVPGPMZQP-UYAOXDASSA-N 418.541 3.942 0 50 HHAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2cc(C)[nH]n2)C3)c1 12048339 SBBGLQSMKZCDJA-QGZVFWFLSA-N 407.445 3.769 0 50 HHAA O=C(CSc1ccccn1)NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1 12247709 WARJIVAKAJBLAS-UHFFFAOYSA-N 413.934 3.687 0 50 HHAA CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)CCc2cnccn2)C1 12455294 YURZLUKLBDBPJY-VXFXUCHBSA-N 407.514 3.685 0 50 HHAA COC(=O)c1c(NC(=O)c2ccc(OC)cc2)c2cc(NC3CCCC3)cnc2n1C 14746503 BYLPPZGDWCLYNW-UHFFFAOYSA-N 422.485 3.975 0 50 HHAA Cc1cccc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)n1 14751669 RABBUGBRJYDZLW-QFIPXVFZSA-N 421.541 3.593 0 50 HHAA COC(=O)c1cc(NC(=O)/C=C/c2ccc(Br)cc2)cc(C(=O)OC)c1 16676420 XHASDGDMQPZINY-VMPITWQZSA-N 418.243 3.674 0 50 HHAA Cc1oc(-c2ccc(Cl)cc2)nc1CN(Cc1ccncc1)C[C@@H]1CCC(=O)N1 19224528 GTHMVYPPTLYONK-IBGZPJMESA-N 410.905 3.979 0 50 HHAA CCN(CC)CCNCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC)cc21 19371742 JOLDWQJWIIWEJF-UHFFFAOYSA-N 424.545 3.560 0 50 HHAA CC(C)c1nccn1CCCNC(=O)c1ccc(N[C@@H]2CCc3cccnc32)nc1 67907964 ZVKCRBSMFLFYBH-LJQANCHMSA-N 404.518 3.716 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5cc(F)ccc5F)n4)c3CO2)cc1 169769057 RNWJNPDCJSBBGC-KRWDZBQOSA-N 411.368 3.553 0 50 HHAA Cc1ccc(Cn2c(C3CCN(C(=O)c4cc(C)cc(C)c4)CC3)n[nH]c2=O)cc1 169777233 BRDGCILFGJXSAP-UHFFFAOYSA-N 404.514 3.565 0 50 HHAA CCOc1cccc([C@@H]2CC(c3cccc(NS(=O)(=O)CC)c3)=NN2C(C)=O)c1 170618362 RAPZODDEGKRQDP-NRFANRHFSA-N 415.515 3.545 0 50 HHAA O=C(O)Cc1csc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)n1 170671090 FGEPGCORVAEZDU-UHFFFAOYSA-N 406.467 3.680 0 50 HHAA Ic1cccc(OCCCNc2cccc(-c3nnc[nH]3)c2)c1 241684874 QFXBTLKVRHXYPP-UHFFFAOYSA-N 420.254 3.957 0 50 HHAA COc1c[nH]c(CN2CC[C@@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)cc1=O 426414408 OIYMVVWZWKKFQO-RUZDIDTESA-N 409.574 3.995 0 50 HHAA CC(C)(C)c1nc2ccc(S(=O)(=O)N3C[C@@H](CO)c4ccccc43)cc2s1 432255787 AATPULPXDGKZDQ-ZDUSSCGKSA-N 402.541 3.879 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 792610805 UXFXVOFZJHHDLR-GOSISDBHSA-N 401.507 3.673 0 50 HHAA CC1(C)C[C@](CCNc2ccc(C(=O)N3CCOCC3)cn2)(c2ccccc2)CCO1 1529177467 ADZNLAAEOFYCIN-RUZDIDTESA-N 423.557 3.883 0 50 HHAA Cc1nn(C)c(C)c1CN1CCC2(CC1)OCCc1cc(-c3cncnc3)sc12 1857712283 NZMDQNBINHWWSS-UHFFFAOYSA-N 409.559 3.619 0 50 HHAA COCCn1ncc2ccc(N[C@H](C)c3ccc(OC)c(CN4CCOCC4)c3)cc21 2325727029 ZDORQJUQYRBOIT-GOSISDBHSA-N 424.545 3.697 0 50 HHAA Cc1cnc2n1[C@@H](C(=O)N[C@@H](C(=O)O)c1ccc(OCc3ccccc3)cc1)CCC2 2325876857 CNRIJCKSWVLKMO-IFMALSPDSA-N 419.481 3.590 0 50 HHAA COc1ccc(CCNC(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1 632157 PIFIVLYVMWBRBW-UHFFFAOYSA-N 406.511 3.651 0 50 HHAA CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 824128 ILFRPPYEVBXUPT-INIZCTEOSA-N 402.516 3.901 0 50 HHAA CN(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1 915169 VQKGTTAEGJAZKK-SANMLTNESA-N 414.505 3.803 0 50 HHAA COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)Cc1ccccc1 1067210 XUBGGUOCPNGLKB-UHFFFAOYSA-N 409.467 3.596 0 50 HHAA Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 1078384 MLVMYKPBJSOZAH-ZDUSSCGKSA-N 400.422 3.807 0 50 HHAA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1 2905685 SCOCFHNGONAOEA-MOSHPQCFSA-N 423.421 3.938 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(N)=O)C1 4628393 PBOVIXZMMDUONI-AGIUHOORSA-N 406.548 3.828 0 50 HHAA CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2Cl)CC1 4815804 FZLKLHYTVOJOFB-UHFFFAOYSA-N 415.877 3.507 0 50 HHAA C[C@H]1CCc2nc3sc4c(c3c(C(F)(F)F)c2C1)NC(=O)[C@@H]1CCCN1C4=O 65363265 SITCJWNNOTZCNP-KWQFWETISA-N 409.433 3.997 0 50 HHAA CCN(Cc1nonc1C)C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2792378 YSZUCOFKXIXEHQ-UHFFFAOYSA-N 413.327 3.769 0 50 HHAA CCOC(=O)c1c(NC(=S)NCc2cnn(C)c2C)sc2c1CCCCC2 5979994 QPBAWCVRRQLQMR-UHFFFAOYSA-N 406.577 3.722 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1Cl 72116078 IDBJDZYBXKFHPM-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA C[C@H](Cn1cccn1)C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 827628009 JFZOAOKZOQJORL-HXUWFJFHSA-N 403.526 3.694 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@H]2CN(C(=O)C(C)C)CC[C@@H]21 43632220 CWTUWMHQIYHURD-REWPJTCUSA-N 422.573 3.527 0 50 HHAA C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc(COCC(F)(F)F)cc1 170612374 JVDQDFNBFAMYFK-ZIAGYGMSSA-N 418.456 3.931 0 50 HHAA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCN(CC)CC1 5979412 MZQGXMUOSYYZOL-UHFFFAOYSA-N 417.600 3.850 0 50 HHAA CC[C@H](C)CN1CCC([C@@]2(CC)NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 12042927 BAZWGHSDSGSGLF-MHECFPHRSA-N 415.578 3.696 0 50 HHAA CNC(=O)c1ccc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(-c3ccccc3)c2C)cc1 328605264 MXRXTLZVTUEYJL-UNMCSNQZSA-N 418.497 3.565 0 50 HHAA Cc1nc(CC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cs1 1704300051 VGCJZRXRJRYBQM-HSZRJFAPSA-N 404.539 3.958 0 50 HHAA O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)[C@H](O)CC1CCCCC1 1875262471 WFWHLGYOAWDGDD-FGZHOGPDSA-N 407.514 4.000 0 50 HHAA O=C(CCc1nc(O)c2ccccc2n1)N=c1cc(C23CC4CC(CC(C4)C2)C3)[nH][nH]1 1875259518 ZLHPOQRRTJXXRN-UHFFFAOYSA-N 417.513 3.520 0 50 HHAA COc1ccc(OC)c([C@H]2CC(=O)c3c([nH]c(C(=O)OC[C@@H]4CCCO4)c3C)C2)c1 1080568 MDFKVQORLUIXMU-ZBFHGGJFSA-N 413.470 3.589 0 50 HHAA O=C(NC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1)c1n[nH]c2ccccc12 12317232 KXDGRJDPJUCYBU-HNNXBMFYSA-N 405.527 3.815 0 50 HHAA COc1ccccc1C(=O)NC(NC(=O)c1ccccc1OC)c1ccc(F)cc1 629597 IIFFFHOKMWYSNW-UHFFFAOYSA-N 408.429 3.702 0 50 HHAA COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)O)c(Cl)c3N2)cc1OC 867081 JJDPPMCQLFWVDK-KCJUWKMLSA-N 405.760 3.912 0 50 HHAA COc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 875740 LDZFKTWRAOBXCE-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Br)cc3)no2)cc1 1115569 ZQTWPRNRDAQXJL-UHFFFAOYSA-N 422.304 3.628 0 50 HHAA CCCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3ccc(OC)cc3)C2=O)c1 1779578 AXJNOHSXQNRNLQ-UHFFFAOYSA-N 414.845 3.698 0 50 HHAA COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2ccc(C(=O)O)cc2)cc1 4652727 VHSCPFBKODKXLT-QNGOZBTKSA-N 416.433 3.803 0 50 HHAA biogenic Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1C 4748703 NVANBSCQTGXYTN-UHFFFAOYSA-N 400.544 3.635 0 50 HHAA O=C(c1ccco1)N(Cc1ccc(OCCN2CCCCC2)cc1)C[C@H]1CCCO1 12210124 GLYZFWSCPRCOSF-JOCHJYFZSA-N 412.530 3.966 0 50 HHAA COc1ccc(CCc2nnc(CCC(=O)NCc3ccc4ncccc4c3)o2)cc1 12304852 BJBNEWZAXOPCRO-UHFFFAOYSA-N 416.481 3.661 0 50 HHAA Cc1cc(C)n(CCNCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 12593871 HWWVDYHDFAVVJE-UHFFFAOYSA-N 415.497 3.871 0 50 HHAA CCCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc3ccccc3c2)C1 14535088 VGYLLINGWFFFBR-RCZVLFRGSA-N 423.601 3.526 0 50 HHAA COc1ccccc1CCN1CCC[C@@H](CN(C)Cc2cnc(N(C)C)s2)C1 15064199 NXCVHWBPSMKKNU-SFHVURJKSA-N 402.608 3.604 0 50 HHAA COc1ccc(CN2C[C@@H]3C[C@@H](c4nc5c(s4)CCCC5)N4CCC[C@@]34C2=O)cc1 15072999 FJXFLIZACRXHKS-REIDKSKDSA-N 423.582 3.969 0 50 HHAA COc1ccc(OC)c(CN2CCC(O)(c3ccc(Br)cc3)CC2)c1 23283390 REFHONVCEVSLPT-UHFFFAOYSA-N 406.320 3.950 0 50 HHAA C[C@H]1C(=O)NCCN1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 72447372 WNFQAOFNGPMASK-ZDUSSCGKSA-N 409.873 3.604 0 50 HHAA O=C(c1ccccc1Cl)N1CCC2(CC1)NC(=O)N(c1cccc(Cl)c1)N2 169764089 GENFTDFPGOSJDP-UHFFFAOYSA-N 405.285 3.660 0 50 HHAA CCc1sc(NC(=O)c2cc(-c3ccccc3Cl)nn2C)nc1C(=O)OC 170622205 FNUMTMZGIILIJW-UHFFFAOYSA-N 404.879 3.798 0 50 HHAA C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ncc(-c2ccccc2)o1 170631430 UZJVKMJRCAKZFS-OLZOCXBDSA-N 405.501 3.555 0 50 HHAA O=C(Cc1csc(-c2ccccn2)n1)N1CCOc2c(Br)cccc21 225658837 GTISZTPXSBPFSZ-UHFFFAOYSA-N 416.300 3.936 0 50 HHAA CC(C)CN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC(C)C)CC1=O 248259037 VPWZFPQUNDMWRF-GHTZIAJQSA-N 410.562 3.860 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1c[nH]c2ccc(OC)cc12 252482779 DNOKDTPKTRSZBN-NRFANRHFSA-N 415.453 3.757 0 50 HHAA CCOc1ccc([C@@H](O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1 263615952 GFCDGNUUBZSZHD-QHCPKHFHSA-N 403.482 3.912 0 50 HHAA COc1ccc2cc(C(=O)NCCCc3nc4ccccc4[nH]3)sc(=O)c2c1OC 824519337 CAYHQUKXSQVEEM-UHFFFAOYSA-N 423.494 3.518 0 50 HHAA CC(C)C(=O)N1CCC[C@@H](CNc2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 1704326008 QUNFQGOUDLWYKV-ZDUSSCGKSA-N 405.882 4.000 0 50 HHAA NC(=O)c1cccc(CN(Cc2ccccc2)Cc2nc(O)c3ccsc3n2)c1 1875262937 FSIPVEGPKNMXIA-UHFFFAOYSA-N 404.495 3.698 0 50 HHAA COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N[C@@H](C)c1ccc2nc(C3CC3)[nH]c2c1 2325861010 CAZZTHFEDDEXCB-SJCJKPOMSA-N 404.470 3.752 0 50 HHAA O=C(COc1ccccc1CN1CCC(OC(F)(F)F)CC1)N1CCCCC1 2356164617 ZYHRPXXQPGNIRN-UHFFFAOYSA-N 400.441 3.579 0 50 HHAA O=C(COc1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 779545 XDQRWCYQRYXRER-UHFFFAOYSA-N 400.478 3.717 0 50 HHAA c1ccc(Cn2ncc3c2ncn2c(CSc4nc5ccccc5o4)nnc32)cc1 794123 ZGYGTOONDQEITJ-UHFFFAOYSA-N 413.466 3.956 0 50 HHAA COc1ccc(CNC(=O)c2cccc(C(=O)NCc3ccc(OC)cc3)c2)cc1 1230512 JSLPWRJJYHDYHH-UHFFFAOYSA-N 404.466 3.564 0 50 HHAA biogenic COc1c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc(Cl)c1Cl 2818695 KBRIULXKLOSEHV-UHFFFAOYSA-N 419.305 3.652 0 50 HHAA CC(=O)Oc1ccc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)cc1 2849828 JDWJHCIOQDFFQI-UHFFFAOYSA-N 416.389 3.540 0 50 HHAA O=C(Nc1nnc(SCC(=O)N2CCc3ccccc32)s1)c1ccccc1F 2999344 WZBMRSFJTUJXTO-UHFFFAOYSA-N 414.487 3.611 0 50 HHAA Cc1nccn1CCC(=O)N(C)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 11663370 IWAHKNGKXRPBQA-FQEVSTJZSA-N 402.970 3.648 0 50 HHAA O=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cnc(CN2CCCC2)s1 12058364 BOTYKIGUYAYNIX-SFHVURJKSA-N 418.994 3.787 0 50 HHAA Cc1cc(-c2ccnc(-n3ncc(C(=O)NC[C@@H]4CCCO4)c3C3CC3)n2)c(C)s1 12079031 LWLRLVSUCBXARD-INIZCTEOSA-N 423.542 3.794 0 50 HHAA O=C(NCc1cccnc1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12314779 YEPDWSWMWKEIMT-FQEVSTJZSA-N 413.525 3.560 0 50 HHAA C[C@@H](CC(F)(F)F)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 12718582 UOLHCBJQDWUQDO-INIZCTEOSA-N 415.500 3.504 0 50 HHAA Cc1cc(-n2cccn2)ccc1CN1CCC(n2nccc2NC(=O)C2CC2)CC1 12748938 XEKXLNVOQMXSGD-UHFFFAOYSA-N 404.518 3.563 0 50 HHAA O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCC2 17090655 GTUFFAQCMFLGQJ-KGLIPLIRSA-N 416.499 3.589 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 17091508 OCFLZJXDSMDXAV-SNPRPXQTSA-N 418.559 3.985 0 50 HHAA Cc1ccc2nc(Nc3nc(CSc4nnc(C)s4)cc(=O)[nH]3)nc(C)c2c1 18266471 YIJOQQHVEVIMNS-UHFFFAOYSA-N 411.516 3.526 0 50 HHAA CCNC(=O)[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3)cc2)CN1Cc1ccncc1 19771134 RJLUYRMMVFFAPJ-RPBOFIJWSA-N 414.553 3.617 0 50 HHAA COc1ccc(OC)c(NC(=O)[C@H](C)n2nc(-c3cc(C)ccc3C)ccc2=O)c1 20095589 YRPWYNBVLRMRHD-INIZCTEOSA-N 407.470 3.744 0 50 HHAA COc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1OC 20259144 JEMICHFOEFSHTE-UHFFFAOYSA-N 407.873 3.846 0 50 HHAA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(SC)cc2)CN1Cc1cccc(Cl)c1 32503333 HEVDNFKKDMFKCJ-FPOVZHCZSA-N 418.006 3.931 0 50 HHAA COc1ccc(N(C(=O)CNC(=O)OCc2ccccc2)c2ccccc2)c(N)c1 72202818 FWJGSHPPZVKMNT-UHFFFAOYSA-N 405.454 3.869 0 50 HHAA Cc1ccc(N2CCC3(CCCN3Cc3nn(C)c4cccc(Cl)c34)CC2)nn1 72436634 QLHDWZDTPZPNKE-UHFFFAOYSA-N 410.953 3.960 0 50 HHAA Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(C(F)(F)F)cc1 96910140 SHAVEYUXRBIMLA-UHFFFAOYSA-N 413.407 3.660 0 50 HHAA O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC[C@H](Cn2cnnn2)CC1 238901370 LRLJQJSIIBMTFR-XYWHTSSQSA-N 403.530 3.818 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4cc(C)[nH]n4)csc3C2)nc1 426497364 QCHIZQBHZNJNTG-UHFFFAOYSA-N 409.559 3.568 0 50 HHAA O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@H]1CC[C@@H](C(=O)O)C1 435714458 KJLBZPALBPIZNN-GJYPPUQNSA-N 414.889 3.571 0 50 HHAA O=C(O)/C=C/c1cnc(/C=C/c2ccc(OCC(=O)O)c(Br)c2)s1 751037336 NGSUZZVOJQZJIZ-BUSIMMOISA-N 410.245 3.637 0 50 HHAA COc1ccc(CN(CCc2c[nH]c3ccccc23)S(=O)(=O)N2CCCC2)cc1 824669756 FYXSOJFQYZZIGQ-UHFFFAOYSA-N 413.543 3.562 0 50 HHAA Cc1cc(-c2nn(C)c(Cl)c2CN(Cc2ccccn2)C[C@H]2CCCO2)no1 952970404 ULPHCKMLJCCKPI-MRXNPFEDSA-N 401.898 3.613 0 50 HHAA CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)C1 1478135437 ZZWVGMWBKCDNBF-PMVMPFDFSA-N 420.557 3.951 0 50 HHAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)c3ccc(CSc4ccccc4)o3)C[C@H]2CO1 1857733093 VBEANYOVMQZFRV-FIKGOQFSSA-N 400.544 3.799 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)C1 1875371739 KTHUVZDNCGHBIZ-LAUBAEHRSA-N 419.363 3.797 0 50 HHAA COC(=O)[C@@H](Oc1ccc(-c2cccnc2N2CCOCC2)cc1)c1cccc(O)c1 1875387673 RVLTVJVABGXMCX-QFIPXVFZSA-N 420.465 3.584 0 50 HHAA CN1CC2(CCN(C(=O)c3ccc(-c4cccc5cccnc45)cc3)CC2)OC1=O 2325818976 JJUMKSAGNZTRKQ-UHFFFAOYSA-N 401.466 3.959 0 50 HHAA CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cc1ccc2oc(O)nc2c1 2325861231 JZWRITDHRYLVKZ-BBATYDOGSA-N 419.275 3.731 0 50 HHAA Cc1cc(=O)cc(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)o1 2356140212 YRQKQPNQNJSIEN-DEOSSOPVSA-N 401.466 3.525 0 50 HHAA Cc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)OCCc3ccsc34)CC2=O)cc1C 2356162166 AHDGOYWRLATTIY-LJQANCHMSA-N 424.566 3.808 0 50 HHAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 898192 AXWOLXLXPNGBOH-UHFFFAOYSA-N 422.506 3.672 0 50 HHAA CC(C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 2964002 KVQKTSIDWLHVNR-UHFFFAOYSA-N 401.315 3.713 0 50 HHAA COc1ccc(C(=O)N[C@H](C(Cl)(Cl)Cl)P(=O)(OC)OC)cc1OC 3214569 AURTXVVXIPHJHR-LBPRGKRZSA-N 420.613 3.616 0 50 HHAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(NCCNCCO)ccc12 3818225 FQMZXMVHHKXGTM-UHFFFAOYSA-N 422.573 3.774 0 50 HHAA in-vitro O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(Br)cc1 9428311 BYSJJKJUKNEZAH-UHFFFAOYSA-N 413.680 3.928 0 50 HHAA COC(=O)CCCC(=O)N(CC(C)C)CC1CCN(Cc2ccccc2OC)CC1 11773465 CIICRQQJBOBOOW-UHFFFAOYSA-N 418.578 3.735 0 50 HHAA CC(C)CN1C(=O)N(Cc2ccccc2)C2(CCN(C3CCSCC3)CC2)C1=O 14741811 VNFKGYGDPHVNFY-UHFFFAOYSA-N 415.603 3.837 0 50 HHAA C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 17082275 WEPTUDPQCUPMGC-OAHLLOKOSA-N 401.557 3.619 0 50 HHAA COc1cccc([C@H](C)NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)c1 20608140 QUUDLPAVJHGAFF-KPZWWZAWSA-N 403.276 3.828 0 50 HHAA Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCN(C)CC1)CCCCC2 55212204 PSHYDUOEHUUAOU-UHFFFAOYSA-N 411.571 3.965 0 50 HHAA CN(CC1CCCCC1)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82098561 QZTVEWUAXHQNGO-QHCPKHFHSA-N 412.622 3.797 0 50 HHAA CN(C)c1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)cc1 169753793 SLWWRUHRWRTUNO-GOSISDBHSA-N 409.921 3.805 0 50 HHAA COc1ccc([C@H](NCCn2ccnc2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 170606803 LCQZLOFGCQDHQS-PMACEKPBSA-N 400.523 3.622 0 50 HHAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 229486580 GBOQSYRNIXGWMN-YSGRDPCXSA-N 408.564 3.543 0 50 HHAA Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C(N)=O)cc1 239402518 QTHRQMCNENRORF-XJNFMUPTSA-N 410.495 3.592 0 50 HHAA Cc1nc(CC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cs1 1704300058 VGCJZRXRJRYBQM-QHCPKHFHSA-N 404.539 3.958 0 50 HHAA CC(C)=CC[C@]1(C(=O)NCc2c(C)noc2C)C[C@H]2CC[C@@H]1N2c1ncc(F)cn1 1704303882 DBODFQLCQUADIV-LZNRXBQRSA-N 413.497 3.621 0 50 HHAA C[C@@H](OC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)C(=O)c1c(F)cc(F)cc1F 2325747539 VPLQWOPRZAJDIP-LLVKDONJSA-N 419.330 3.822 0 50 HHAA O=C(CN1CC[C@H](c2ccccc2)c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O 2325863461 KUAGWICWGYUSQH-GGAORHGYSA-N 414.505 3.841 0 50 HHAA CN(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 1161799 DLAFVVPDIRPFOM-UHFFFAOYSA-N 407.706 3.906 0 50 HHAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F 1163930 IYOLCXIUYBLAFK-UHFFFAOYSA-N 408.470 3.927 0 50 HHAA O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 1166005 QBZAAHMKKWZFMG-INIZCTEOSA-N 414.527 3.553 0 50 HHAA Cc1ccc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 1166166 NSXYSMOWRAPYFC-UHFFFAOYSA-N 416.524 3.905 0 50 HHAA CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)NCC(=O)OC)[C@H]2CO[C@@H]1C2 43772739 STIYTIWKJAUJKK-SDJICARWSA-N 421.578 3.541 0 50 HHAA in-vitro CCOC(=O)C1=C(C)N(C)[C@H]2C=CC(OC(=O)c3ccc(Br)cc3)=C[C@@H]12 170591619 KHCBNMCVXOWCRE-SJORKVTESA-N 418.287 3.827 0 50 HHAA O=C(Nc1nnc(-c2cccs2)s1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 63846113 AFTPBICBUCBAEZ-OAHLLOKOSA-N 409.500 3.564 0 50 HHAA Cc1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1I 1429821 DEGCBRIEHCPYMI-UHFFFAOYSA-N 423.176 3.762 0 50 HHAA Cc1cn(CC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc(Br)c1=O 328593129 DQPKKRBVLCXSJB-UHFFFAOYSA-N 405.292 3.787 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc4ncccc4c3)C[C@@H]2CCO)c(C)c1C 76915992 JWIVIFIBHNJUJD-DEOSSOPVSA-N 419.569 3.929 0 50 HHAA O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32106516 ILIWDLJGCXQOPF-NSHDSACASA-N 424.814 3.652 0 50 HHAA O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccccc1 238937246 URMJABIZXOISIF-VAMGGRTRSA-N 405.841 3.786 0 50 HHAA Cc1ccc(CN2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2=O)cc1 825175491 GZHXKYVZFSRWLA-UHFFFAOYSA-N 405.523 3.532 0 50 HHAA Cc1noc2nc3c(c(C(=O)N4CCC[C@@H](c5nc(CC(C)C)no5)C4)c12)CCC3 952967227 GYWSMWYBMNHCRW-CQSZACIVSA-N 409.490 3.621 0 50 HHAA CCCC(CCC)C(=O)N1CCCN(C(C)=O)[C@H](c2ccccc2)CC(=O)NCC1 952866072 YYLHDTAQAVJUDJ-QFIPXVFZSA-N 415.578 3.531 0 50 HHAA Cc1ccccc1N1CCCN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC1 952982634 QBOFZHDFMAWTQL-UHFFFAOYSA-N 407.558 3.709 0 50 HHAA O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1csc(-c2ccoc2)n1 170638673 AZHPTPYGFVVYCC-CQSZACIVSA-N 401.875 3.982 0 50 HHAA Cc1nc(CN(C)C(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)cs1 11788005 LTMWCHWODQIYPX-FQEVSTJZSA-N 405.951 3.735 0 50 HHAA O=C(NCCc1cnccn1)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 11936052 FXNKKGDHWXPPEH-UHFFFAOYSA-N 417.416 3.844 0 50 HHAA COc1ccc(-c2nc(CN3CCCC[C@@H]3CCNC(C)=O)c(C)o2)c(OC)c1 11999710 RHXNKIKJESRTCL-QGZVFWFLSA-N 401.507 3.548 0 50 HHAA O=C(C1CCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1)N1CCCC1 12586754 WBJCJOPRGIZZMJ-UHFFFAOYSA-N 422.451 3.514 0 50 HHAA O=C(Nc1ccccc1)[C@H]1CC12CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2 14961721 HLPZGUTWHWEXHU-LJQANCHMSA-N 406.482 3.615 0 50 HHAA CN(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)NCCc1cccc(Cl)c1 14994018 AJDODFCUOPXHJA-UHFFFAOYSA-N 424.932 3.596 0 50 HHAA O=C(N[C@H]1CCc2ccc(Cl)cc21)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 1857530484 PFXBVZSASUIJHK-HKUYNNGSSA-N 404.919 3.585 0 50 HHAA COc1cccc(C)c1C(=O)N1CCC2(CCc3c(O)nc(C(C)(C)C)nc32)CC1 1857726352 MYSDCCYPZNQOTK-UHFFFAOYSA-N 409.530 3.917 0 50 HHAA COc1cc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc(Cl)c1OC(C)C 225573306 RSXJRPFDPKFXPV-HNNXBMFYSA-N 405.804 3.903 0 50 HHAA CCn1ncc(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1C 1704299853 LLYJQOLNRXERLW-XMMPIXPASA-N 401.514 3.789 0 50 HHAA COc1cccc(COC(=O)c2ccc(-c3nnn(Cc4ccccc4F)n3)cc2)c1 1071593 IMBXNXJWYUYJQQ-UHFFFAOYSA-N 418.428 3.893 0 50 HHAA Cc1ccc(-c2nc(Cc3ccno3)no2)cc1NS(=O)(=O)c1ccc(F)cc1 2325735933 BDOFPDYRKVPLFA-UHFFFAOYSA-N 414.418 3.564 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)C1 2325889466 RYKQGLFLYOJCQS-PBHICJAKSA-N 423.376 3.567 0 50 HHAA COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(F)cc1 1147888 ZSFPHTULTHFMSQ-UHFFFAOYSA-N 411.429 3.548 0 50 HHAA COc1ccc(OC)c(N2C(=O)C[C@H](Sc3nc4ccccc4s3)C2=O)c1 1170629 HSXGWEXIJUHZLK-INIZCTEOSA-N 400.481 3.738 0 50 HHAA O=S(=O)(c1ccc(Nc2cnns2)cc1)c1ccc(Nc2cnns2)cc1 2532480 JHMGFTCLOXLDMF-UHFFFAOYSA-N 416.513 3.710 0 50 HHAA Cc1ccc(CSCCNS(=O)(=O)c2ccc(Br)cc2)cc1 2970113 PVAVZCXJXZBDIT-UHFFFAOYSA-N 400.363 3.969 0 50 HHAA COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC 3815075 FGCLAQLIXMAIHT-UHFFFAOYSA-N 407.211 3.995 0 50 HHAA in-vitro O=C(O)CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 4863064 MWYATKSUDJGVFA-HNNXBMFYSA-N 405.248 3.975 0 50 HHAA Cc1ccc([C@H](NC(=O)c2sc3ncn(C)c(=O)c3c2C)c2cccnc2)c(C)c1 55252669 NMDSUYROGNZIPU-LJQANCHMSA-N 418.522 3.835 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2F)cc1 101196281 DCVPUVRHKWZRKR-ZWOKBUDYSA-N 416.518 3.634 0 50 HHAA C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)N[C@H]1CCCc2ccccc21 248287510 GMEQZSIPMUWPFN-VHFSOBRXSA-N 424.522 3.615 0 50 HHAA COc1ccc(-c2nn3c(nc2=O)-c2ccc(F)cc2N[C@]32CCCSC2)cc1 170620140 ZCZLVPAGBYYFNH-OAQYLSRUSA-N 410.474 3.725 0 50 HHAA Cc1cc(NC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1Br 253415741 RMAZQVBCSWZSOJ-AZUAARDMSA-N 402.336 3.731 0 50 HHAA COc1cccc(OCc2cccc(C(=O)N3N=C(C)C[C@@]3(O)C(F)(F)F)c2)c1 6394517 SRVSAJTWYMHBCK-LJQANCHMSA-N 408.376 3.747 0 50 HHAA COc1cccc(C(=O)COc2ccc(N3C(=O)[C@H]4CC=C(C)C[C@H]4C3=O)cc2)c1 96487806 FZOQJDREEOYIPJ-LEWJYISDSA-N 405.450 3.803 0 50 HHAA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1ccnc3ccccc13)CC(=O)O2 253399241 CRVXAJCGIKXFKH-OAHLLOKOSA-N 415.401 3.999 0 50 HHAA biogenic Cc1c(Cl)cccc1NC(=O)CC(=O)NCCN1CCC[C@@H](c2ccccc2)C1 827792172 SWFTXUXUMXMUAE-LJQANCHMSA-N 413.949 3.973 0 50 HHAA COc1cccc([C@H](NC(=O)c2ccc3c(c2)NC(=O)CS3)c2ccccn2)c1 170598001 PMNVGFYUOZVTKB-NRFANRHFSA-N 405.479 3.654 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 11953057 CAWVZHRTTKMVAT-AREMUKBSSA-N 417.553 3.875 0 50 HHAA C[C@@H](Oc1ccccc1)C(=O)NC[C@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 11972695 FOBGLFLIBDWHAH-RDTXWAMCSA-N 409.873 3.684 0 50 HHAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1ccccc1Cl 12056432 ICTBRPBLUJQOQF-QFIPXVFZSA-N 421.928 3.500 0 50 HHAA COc1ccc(CCC(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1OC 12439069 SLLDGWIEDGBANQ-JOCHJYFZSA-N 410.558 3.802 0 50 HHAA Cn1cnnc1SCC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 12588368 WTEHVWDYTMEMFH-FQEVSTJZSA-N 420.538 3.696 0 50 HHAA COC(=O)c1ccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc1 14955621 ZWSMVPUSGPFIBS-GOSISDBHSA-N 412.505 3.639 0 50 HHAA CCN(CC)C(=O)c1cnn(-c2nccc(-c3ccc(OC)c(F)c3)n2)c1C1CC1 14983818 QZPBZGNSYOEGQW-UHFFFAOYSA-N 409.465 3.836 0 50 HHAA Cc1ccccc1CSc1nnc([C@H](C)NC(=O)c2ccc3c(c2)OCO3)n1C 15068200 ZDKVWFJFUZPDJZ-AWEZNQCLSA-N 410.499 3.636 0 50 HHAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)NC[C@H](c1cccnc1)N1CCCCC1 1857673527 KJXUXOJMTWMKNP-HXUWFJFHSA-N 407.493 3.876 0 50 HHAA CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)c1 499804590 UZSVLDIFFRZSHM-UHFFFAOYSA-N 418.534 3.706 0 50 HHAA CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC[C@@H](CC(=O)O)OC 43772653 CQMVTHTYLSWGRI-URRDGBCDSA-N 412.567 3.736 0 50 HHAA in-vitro O=C(Cc1csc(N2CCCNC2=O)n1)Nc1cccc([C@@H](F)C(F)(F)F)c1 2325851673 GGMDHTWPRJHOAZ-CQSZACIVSA-N 416.400 3.817 0 50 HHAA CCCCCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 2060828 PTBKHRHSIIOBKN-UHFFFAOYSA-N 406.939 3.949 0 50 HHAA CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(Br)cc3)N2C1=O 2454967 PIZRPDPHLKSFFY-GXTWGEPZSA-N 409.305 3.661 0 50 HHAA Cc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 100755075 ARIQFBWPURCKEM-GOSISDBHSA-N 419.872 3.949 0 50 HHAA CN1C(=O)[C@]2(NCCc3c2[nH]c2ccc(Cl)cc32)c2cc(Br)ccc21 20064228 BZHLYMGLKOUBBH-IBGZPJMESA-N 416.706 3.950 0 50 HHAA biogenic Cc1ncc(CC(=O)NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)c(=O)[nH]1 77343646 QRFXARMKWXPUSN-UHFFFAOYSA-N 404.445 3.533 0 50 HHAA CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cccnc2)CC1 238900505 IZDINJZJGVNKAW-DNVJHFABSA-N 407.558 3.888 0 50 HHAA biogenic COc1ccc(-c2nc(C(=O)N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1 27638621 UBHKJRYGKOSQDJ-UHFFFAOYSA-N 423.538 3.882 0 50 HHAA biogenic,in-vitro COc1cc(CN2CCC[C@@H](CNC(C)=O)C2)ccc1OCc1cccc(F)c1 952962441 BREXPVBIPCNLQL-FQEVSTJZSA-N 400.494 3.761 0 50 HHAA Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1616079650 ZKVHVNXIFSODRM-UGKGYDQZSA-N 413.477 3.874 0 50 HHAA C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 5721626 KZEKOOLPBSZVKS-TVNZOSHGSA-N 409.485 3.614 0 50 HHAA COC(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 11714216 HVVVMHHBBGJOER-FQEVSTJZSA-N 409.482 3.996 0 50 HHAA COc1ccc(-c2nc(CN3CCC(N4CCSCC4)CC3)c(C)o2)c(OC)c1 11954557 OBDBVRBBLGNRRT-UHFFFAOYSA-N 417.575 3.680 0 50 HHAA CN(C)Cc1cc(-c2cnccn2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 11977340 YONGFNHAEYRSTG-UHFFFAOYSA-N 420.557 3.669 0 50 HHAA O=C(CCC(=O)N1CCC(=O)N(Cc2ccccc2Cl)CC1)c1ccc(F)cc1 11999907 UXMDRBCJXCILNG-UHFFFAOYSA-N 416.880 3.703 0 50 HHAA COc1cccc(CN2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)c1 12202314 HLHVKPDXCAKIEB-UHFFFAOYSA-N 424.541 3.983 0 50 HHAA O=C(NCc1ccncc1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 12297956 BYGJRAMHCHVDHZ-UHFFFAOYSA-N 413.525 3.560 0 50 HHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 12648363 KIHDUTMNOVGCPQ-IRXDYDNUSA-N 406.479 3.546 0 50 HHAA CCN(CC)CCN(CC)C(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C 14987372 PYJPLSMVHOPREV-UHFFFAOYSA-N 424.524 3.581 0 50 HHAA C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 19920727 DMNCYDBTVZYWOX-INIZCTEOSA-N 403.320 3.561 0 50 HHAA Cc1cccc(CC(=O)N2CCC(C3CCN(C(=O)c4ccncc4)CC3)CC2)c1 1857731010 HNJNKETXOFUACX-UHFFFAOYSA-N 405.542 3.724 0 50 HHAA Cc1cc(Br)ccc1NCC(=O)NCCCc1nc2ccccc2[nH]1 253418161 LECMMEMJGOGFNC-UHFFFAOYSA-N 401.308 3.795 0 50 HHAA CC(C)NC(=O)c1cccc(CNCC2CCN(C(=O)OCc3ccccc3)CC2)c1 1875259616 LQGMCMLQZKLLPD-UHFFFAOYSA-N 423.557 3.963 0 50 HHAA COC(=O)/C=C/CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C 1875314416 WWDHHKVTPBLEPQ-BLRGSVSVSA-N 400.519 3.592 0 50 HHAA CCc1ccc(-c2n[nH]c(S[C@@H](CC(=O)N(C)C)C(=O)c3ccccc3)n2)cc1 1776006027 LGSRITNBNKUFSP-SFHVURJKSA-N 408.527 3.856 0 50 HHAA C[C@@H](CCNC(=O)CCC(=O)c1cccs1)NC(=O)[C@H](C)c1ccccc1F 2325826024 LYCVKAHGTJDRBW-LSDHHAIUSA-N 404.507 3.665 0 50 HHAA O=C(N[C@H](Cc1cccc(Br)c1)C(=O)O)c1cc(C(F)(F)F)cs1 2325877056 IATBEOSUMLWNDW-LLVKDONJSA-N 422.222 3.955 0 50 HHAA Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCc2ccccc2)cc1 754363 YDFFJXVDHJTEJM-UHFFFAOYSA-N 419.510 3.667 0 50 HHAA CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 804554 ANBQZRBDOARNFG-INIZCTEOSA-N 413.499 3.942 0 50 HHAA COC(=O)C1=CN(C2CCCCC2)C=C(C(=O)OC)C1c1cccc(OC)c1OC 816041 MFMGVSBKFKFDKR-UHFFFAOYSA-N 415.486 3.550 0 50 HHAA COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccccc2C)n1C 1059184 PYRVGLXUEFNFTK-UHFFFAOYSA-N 412.515 3.750 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc(O)nc4ccc(C)cc34)C2)[C@@H]2CCCC(=O)N12 2356155967 PUNWFSPHZOJMKU-YVCBRDFCSA-N 421.541 3.891 0 50 HHAA CC(=O)N1CC[C@@H](NCc2cccc(Cn3ccnc3C)c2)c2ccc(F)cc2C1 225614908 VUYBGEVWIIOPSX-XMMPIXPASA-N 406.505 3.962 0 50 HHAA CCSc1nnc(-c2ccccc2NC(=O)Cc2cccc(F)c2F)c(O)n1 55061107 QEQIRTDXTYOFCA-UHFFFAOYSA-N 402.426 3.816 0 50 HHAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 20235361 AVNOQHFBIFTHSZ-BWJGRMQRSA-N 409.261 3.528 0 50 HHAA COc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OCCOC(C)C)c3C)C2)cc1OC 4911483 VOQKHRKXPJFFPQ-MRXNPFEDSA-N 415.486 3.835 0 50 HHAA O=C(NC1CC1)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCCC2 17090759 ODVHRKNQCBTSEO-FIMMUYGNSA-N 416.543 3.595 0 50 HHAA O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@H]1c1nc(-c2ccncc2)no1 91391019 VQQORSQNXGLICT-SFHVURJKSA-N 404.405 3.638 0 50 HHAA COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)ccc1OCC(=O)O 238924056 QPWLFORJVUFMQF-HCFDWCBWSA-N 419.524 3.561 0 50 HHAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N(C)C[C@@H]2Cc3ccccc3O2)s1 1506404080 RUSKYEHAACGTGC-HNNXBMFYSA-N 404.513 3.644 0 50 HHAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C3CCSCC3)CC2)c1 11820761 WOTNXHNGIHFUOI-UHFFFAOYSA-N 411.571 3.750 0 50 HHAA O=C(NCCc1ccco1)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 12076748 IAXZVGJYUMQEDB-UHFFFAOYSA-N 423.601 3.748 0 50 HHAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)C3CCCC3)CC2)c1 12439517 VNGNVMSGUZWFPQ-UHFFFAOYSA-N 407.514 3.572 0 50 HHAA CCCCOc1ccc(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1OC 13810120 HSXZGDUOAJCWEP-ZHZULCJRSA-N 421.522 3.862 0 50 HHAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)cc1 15067401 VYYSFKWJWGDDSW-HXUWFJFHSA-N 404.514 3.623 0 50 HHAA COC(=O)CCC(=O)N1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 15071366 IEGAIBUODIMOCJ-UHFFFAOYSA-N 408.498 3.792 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3F)n2)ccc1C 16626342 IUAIMZBNUZWRTB-AWEZNQCLSA-N 408.433 3.516 0 50 HHAA C[C@H](NC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccc(Oc2cccnc2)cc1 1875258824 BGEJRDFJKGBRJB-HKUYNNGSSA-N 403.486 3.758 0 50 HHAA O=C(CSc1cccs1)OCc1nnc(C(=O)NCc2ccc(F)cc2)s1 1875258428 FOGDRFWWUZVVDM-UHFFFAOYSA-N 423.516 3.504 0 50 HHAA O=C(c1ccccc1)N1C[C@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@H]2C1 1775988544 VACPOPZJJYXXTP-QAPCUYQASA-N 412.415 4.000 0 50 HHAA COc1cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc(OC)c1OC 818867 TULGDJWIDAUQEE-UHFFFAOYSA-N 424.482 3.824 0 50 HHAA COc1ccc(Cl)c(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2N)c1 16649867 WCPNULFDXDJLFV-UHFFFAOYSA-N 411.771 3.783 0 50 HHAA CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1 1797280 SGIXBDUDWTUDFW-UHFFFAOYSA-N 402.560 3.993 0 50 HHAA CCOC(=O)CCc1c(C)c2cc(Cl)c(OCC(=O)OC(C)C)cc2oc1=O 2220099 DERDKEYJBQNYPC-UHFFFAOYSA-N 410.850 3.581 0 50 HHAA COC(=O)c1cc(OC)c(OC)cc1NC(=S)Nc1cc(Cl)ccc1OC 8682696 NQHQOFCLNZOOOA-UHFFFAOYSA-N 410.879 3.961 0 50 HHAA COCC(=O)N(CCc1ccc(F)cc1)Cc1cc2ccc(C)cc2nc1N(C)C 12156170 XITNRRPTBBPXCW-UHFFFAOYSA-N 409.505 3.966 0 50 HHAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(Br)ccc1Cl 13326069 IIIFVYBOSQRVFU-UHFFFAOYSA-N 423.694 3.827 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 13636588 KZIXPHGFZMPLTP-IBGZPJMESA-N 400.567 3.617 0 50 HHAA COc1cccc(N2C(=O)CN(C(=O)c3cc(C)nc4ccc(C)cc34)C[C@H]2C)c1 14990544 QGOXTEPWBMHEIS-QGZVFWFLSA-N 403.482 3.738 0 50 HHAA OCC[C@@H]1CN(C2CCN(c3ccccc3)CC2)CCN1Cc1ccc(F)c(F)c1 20600936 LOGUSFOQXAHZOA-JOCHJYFZSA-N 415.528 3.502 0 50 HHAA Cc1cccc2c(C(=O)N(Cc3nccn3C)C(C)C)cc(-c3cnn(C)c3)nc12 63856079 PILWVAFRGQYJQG-UHFFFAOYSA-N 402.502 3.728 0 50 HHAA COc1cccc(CN2C[C@H](c3nc(-c4ccc5nc[nH]c5c4)no3)CCC2=O)c1 91649778 ITLUQZWLORMSLQ-MRXNPFEDSA-N 403.442 3.528 0 50 HHAA O=C(COc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(F)cc1 239165269 NUKMQEGPLUMHGV-BJFYZAGBSA-N 417.436 3.645 0 50 HHAA COc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4cc(C)c(C)cc4C)ccn3n2)cc1 263615382 CCGTVQBJHWGPGJ-HSZRJFAPSA-N 403.482 3.830 0 50 HHAA Cc1nc(C(=O)N[C@H](CCO)Cc2ccccc2)nn1-c1c(Cl)cccc1Cl 799808672 WXJSRCWCHSXEAQ-OAHLLOKOSA-N 419.312 3.606 0 50 HHAA O=C(c1ccc(C(=O)N2CCCC[C@H]2CCc2cccs2)cc1)N1CCOCC1 952870192 WXIJPYNMICFJSP-FQEVSTJZSA-N 412.555 3.848 0 50 HHAA O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2cccc3c2C(=O)CC3)cc1 1464685317 FLAIBJXRFSKNSZ-UHFFFAOYSA-N 405.498 3.882 0 50 HHAA COc1cccc2c1NC(=O)C[C@@H]2C(=O)Nc1c(C)cnn1Cc1cccc(C)c1 1506404902 ARSYBCXNFMORMK-SFHVURJKSA-N 404.470 3.621 0 50 HHAA Cn1c(C(=O)N2CCC([C@@H]3OCCC[C@H]3N)CC2)cc2cc(C(F)(F)F)ccc21 1775988741 FJWLPGKLMQBKES-APWZRJJASA-N 409.452 3.556 0 50 HHAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cnc(C)nc3-c3ccccc3)C[C@H]21 1857697120 WCNNQSWWCSEEMY-GDVKCFTOSA-N 405.498 3.525 0 50 HHAA O=C1C[C@H]2N(Cc3ccc4cc(O)ccc4c3)CC[C@]23O[C@@H](c2ccccc2)CN13 1857730373 OCRYFJZHCIGXIM-OYRHQHFDSA-N 400.478 3.820 0 50 HHAA CNC(=O)c1ccc(/C=C/c2nnc(-c3nn(C(C)C)c(=O)c4ccccc34)o2)cc1 1875256522 PKBJWLNDDVMQJL-JLHYYAGUSA-N 415.453 3.557 0 50 HHAA Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1)CC2 2325731694 YLXWJMNVEMJSAP-GOSISDBHSA-N 401.894 3.924 0 50 HHAA O=C(O)c1c(N2CCC(C(=O)N3CCCC3)CC2)noc1-c1ccc(Cl)cc1 2356141858 SPEWDEMAUMXBNV-UHFFFAOYSA-N 403.866 3.532 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cnc(O)c(Cl)c3)C2)c2cccc(=O)n21 2356153626 OIRBMGNEIAAGND-GJYPPUQNSA-N 415.921 3.839 0 50 HHAA CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1nc(C)cs1 1063538 KNFDFKYOLCIIEU-UHFFFAOYSA-N 417.560 3.990 0 50 HHAA COc1cccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)c1 1149305 BZASSHPHPNIAIB-VWLOTQADSA-N 401.462 3.745 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)cc1 1191273 CBWWCAYDGGJKIV-UHFFFAOYSA-N 400.544 3.635 0 50 HHAA O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)N2CCCC2)c1 1454332 XIOVODXJGREJOH-UHFFFAOYSA-N 413.524 3.847 0 50 HHAA Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)NCc1ccc2c(c1)OCO2 2827052 BIOPFYXPFPAZTF-UHFFFAOYSA-N 418.371 3.740 0 50 HHAA CCCCOc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4182828 YUGQFNDJHHQPCV-HXUWFJFHSA-N 401.528 3.695 0 50 HHAA Cc1cccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1C 101524942 PQBLVODFEIOMIT-QHHCOUFXSA-N 417.505 3.851 0 50 HHAA Cc1ccccc1CN1CCN(C2CCN(c3ccccc3C)CC2)C[C@@H]1CCO 23361150 XKBMIVOEZHVQQV-VWLOTQADSA-N 407.602 3.841 0 50 HHAA CC(C)NS(=O)(=O)c1ccc2c(c1)nc(-c1ccc(-c3cc[nH]n3)o1)n2C(C)C 82092385 QHFLLTGBDXDPFK-UHFFFAOYSA-N 413.503 3.954 0 50 HHAA Cc1c(CC(=O)N2CCSCC2)c2c(n1Cc1ccccc1F)CCCC2=O 95530515 RGHPPNHGCRIHKX-UHFFFAOYSA-N 400.519 3.621 0 50 HHAA Cc1noc(-c2ccc(S(=O)(=O)N(C)C[C@H]3CCN(c4ccccc4)C3)o2)c1C 952966688 JEMWODHTMSUBGA-QGZVFWFLSA-N 415.515 3.698 0 50 HHAA C[C@@H](Cc1cncc2ccccc12)C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 408516418 PEHDUSHCEMIYAI-MOPGFXCFSA-N 407.558 3.911 0 50 HHAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N(CCO)Cc1ccc(F)cc1)O2 1506422285 PVCZTSWXCIQAMV-HSZRJFAPSA-N 401.478 3.561 0 50 HHAA COc1cc(-c2onc(N(C)C)c2C(=O)NCc2cc(C(C)(C)C)n[nH]2)ccc1F 1704315584 LBJMHVHSNMDDSQ-UHFFFAOYSA-N 415.469 3.506 0 50 HHAA O=C(C[C@H]1CCc2ccccc21)N1CCCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 1775982013 ZVPHRHPVQAJZEG-LJQANCHMSA-N 404.514 3.824 0 50 HHAA O=C(NCc1cccc2[nH]ccc12)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 11951854 FUBOVNQQWVVHNS-SFHVURJKSA-N 409.917 3.919 0 50 HHAA CN(C)c1ccccc1C(=O)NC[C@H]1CCC2(CCN(Cc3ccccc3)CC2)O1 12098837 AACTVMYHBYNCEK-OAQYLSRUSA-N 407.558 3.696 0 50 HHAA COCCCNCc1cc2cc(OC)c(OC)cc2n(Cc2ccc(C)cc2)c1=O 12157818 UTFSVJUOAGMWOX-UHFFFAOYSA-N 410.514 3.502 0 50 HHAA Cc1nc2sccn2c1CN1CCC2(CC1)C[C@H]2C(=O)N1CCc2ccccc2C1 12246426 WFCKEDONVDQWJS-FQEVSTJZSA-N 420.582 3.891 0 50 HHAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(C)nc(C)n2)C1 12439764 SNLAQLNWXZWFSZ-JOCHJYFZSA-N 415.921 3.775 0 50 HHAA CCC[C@H](NC(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccccc1 12475882 HKLDTRCYLOVAJB-SFHVURJKSA-N 407.470 3.979 0 50 HHAA COc1ccccc1CCN1CCC[C@H](CN(C)Cc2c(C)nn(C)c2Cl)C1 15065175 PILVLSWNVXBEES-GOSISDBHSA-N 404.986 3.777 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c1 17987724 DLXQXYUHRMTGOB-ROUUACIJSA-N 408.454 3.636 0 50 HHAA COC(=O)c1cccc(-c2nc([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)c1 169755250 XQAVJOHSFDZSRO-CYBMUJFWSA-N 415.808 3.836 0 50 HHAA Cc1nc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc(C(F)(F)F)n1 169772301 GYCBEGCVHTXVSN-UHFFFAOYSA-N 402.779 3.559 0 50 HHAA Cc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)c2c(C)noc2n1 1857678778 AMKMPVGERMTAKE-PRCFCKQXSA-N 405.454 3.530 0 50 HHAA Cc1nc(C(F)(F)F)ncc1CN1CCc2nn(C)c(-c3ccccc3)c2CC1 1857696531 FUBAZFMWKYZFCM-UHFFFAOYSA-N 401.436 3.805 0 50 HHAA O=C(N=c1cc[nH]c2ccncc12)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 443636485 BPFITNSJSYEIBD-GOSISDBHSA-N 415.280 3.602 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(C(=O)NCC[C@@H]2CC[C@@H](N)C2)C1 952894609 SEKCCJCGCVEZIQ-QFBILLFUSA-N 413.541 3.623 0 50 HHAA Cc1ccc(CN(C)c2ccc(C(=O)N3CCN[C@H](c4ccncc4)C3)cc2)cc1 1875252341 FJVFTRJMDADFBI-DEOSSOPVSA-N 400.526 3.813 0 50 HHAA CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 1189102 SSAXTTOUPTXUBY-GOSISDBHSA-N 420.387 3.999 0 50 HHAA O=C1OCC2=C1[C@H](c1ccccc1F)CC(=O)N2c1cccc(Br)c1 1429648 IDWUDTDHUOOPMG-AWEZNQCLSA-N 402.219 3.920 0 50 HHAA COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc(OC)c4)nc3C2)cc1 2425956 IEKDGNYZVCBUDR-INIZCTEOSA-N 403.438 3.659 0 50 HHAA Cc1ccc(C(=O)NCc2ccncc2)cc1S(=O)(=O)Nc1cccc(C)c1C 6698112 XOPWJVHTHFFTIW-UHFFFAOYSA-N 409.511 3.738 0 50 HHAA CS(=O)(=O)c1ncc(CN2CC[C@H](C3CCCCC3)C2)n1Cc1ccccc1F 11664077 KOVWEQDESLCJBB-SFHVURJKSA-N 419.566 3.876 0 50 HHAA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cn(CCCc2ccccc2)nn1 11759658 ZDOMLHDYGWJZOU-DEOSSOPVSA-N 417.557 3.868 0 50 HHAA C[C@@H](c1ccco1)N(C)Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 12190468 NUOJNCXHHATDHU-AWEZNQCLSA-N 422.510 3.701 0 50 HHAA Cc1cccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 15067624 MQYHZQSLZWAFRR-INIZCTEOSA-N 401.457 3.617 0 50 HHAA C[C@H](NC(=S)N1CCN(C(=S)N[C@H](C)c2ccccc2)CC1)c1ccccc1 17089370 IFUOOJOVCXFRRE-HDICACEKSA-N 412.628 3.875 0 50 HHAA Cc1ccccc1-c1noc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)n1 67602052 AJXPYGIFLXAYJM-UHFFFAOYSA-N 408.477 3.713 0 50 HHAA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1Cc1ccccc1 101147924 JEECXSKHSNMNKW-BHIFYINESA-N 402.425 3.872 0 50 HHAA COc1cc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc(OC)c1OC 169775588 QNGKCVTXSQOTOV-UHFFFAOYSA-N 405.414 3.963 0 50 HHAA C[C@H](NCc1cnc2ccc(Br)cn12)c1noc(Cc2ccccc2)n1 242140881 WQBYQDNFELPZCU-ZDUSSCGKSA-N 412.291 3.921 0 50 HHAA COc1cn(CC(=O)N2CCC[C@@H]2c2ccc(OC)c3ccccc23)c(C)cc1=O 253412772 RYKVXNDQVSXYFS-HXUWFJFHSA-N 406.482 3.691 0 50 HHAA CCCOc1ccc(C(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)c(OCCC)c1 430094500 KMLUXRFJEVBYQD-HRAATJIYSA-N 401.507 3.648 0 50 HHAA Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)nc2nc(O)nc(O)c12 469222854 KHGDPENIVIGGAJ-FQEVSTJZSA-N 412.449 3.532 0 50 HHAA C[C@@H]1CCCN(S(=O)(=O)c2ccc3nc(NC(=O)c4ccccc4)sc3c2)C1 1775975834 GPVRUMYZPJBTJU-CQSZACIVSA-N 415.540 3.969 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc3nc(NC(=O)c4ccccc4)sc3c2)CC1 1775977779 WSIUHNCXEZMFRO-UHFFFAOYSA-N 415.540 3.969 0 50 HHAA COCc1cc(=O)c(O)c(-c2[nH]c(-c3cccnc3)nc2-c2ccc(OC)cc2)o1 1857526511 KABPNGIVDZKONJ-UHFFFAOYSA-N 405.410 3.620 0 50 HHAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCC(C3CCNCC3)CC1)O2 1857701687 TZDBTAYMWRBDIE-DEOSSOPVSA-N 400.563 3.639 0 50 HHAA Cc1c(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)[nH]c2ccc(F)cc12 1857713225 LVYTZYNKMJKVRI-ZHRRBRCNSA-N 403.457 3.839 0 50 HHAA CCCn1ccnc1CNC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857737354 IVLLDIRVBSIVMU-CQSZACIVSA-N 401.898 3.621 0 50 HHAA C[C@H](c1ccccc1)N1C[C@H](c2nc(-c3ccc(Br)cn3)no2)CC1=O 2325762743 XSHKFZJFMQDUHE-TZMCWYRMSA-N 413.275 3.971 0 50 HHAA O=c1cc(N2CCC[C@H]2c2cc(F)ccc2F)nc(O)n1Cc1ccc(F)cc1 2325818624 NKYHEMWFTJAOEF-SFHVURJKSA-N 401.388 3.756 0 50 HHAA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Br)cc2)NC(=O)N1 725466 NEOGDKKGLMJWNS-GOSISDBHSA-N 415.287 3.863 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(Cl)c2)c(OC)c1 1165641 OJKABPSYCFSBAY-SFHVURJKSA-N 401.850 3.624 0 50 HHAA Cc1nc(-c2ccc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cc2)cs1 4727996 CKZWWTGNVADDRL-UHFFFAOYSA-N 407.495 3.843 0 50 HHAA Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 4809368 RBMROFGIQMFCTI-AWEZNQCLSA-N 417.512 3.658 0 50 HHAA Cc1cc(OCC(=O)Nc2ccc(I)cn2)cc(C)c1Cl 6429913 KOBMJRMLOSJUPH-UHFFFAOYSA-N 416.646 3.974 0 50 HHAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 11789375 LTGFDJYRRCCBDQ-UZLBHIALSA-N 418.488 3.612 0 50 HHAA CC[C@H](Nc1ncnc2sc(C(=O)NCCN(C)C)c(C)c12)c1cccs1 12450366 ZBGWESZCPXMKSL-ZDUSSCGKSA-N 403.577 3.916 0 50 HHAA Cc1cccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N=C3O)c3ccccc32)c1 17146289 GADYJGMTLZNHFP-MSUUIHNZSA-N 409.492 3.680 0 50 HHAA COc1ccc(CN2CCN(Cc3csc(C(C)=O)c3)C[C@@H]2CCO)c(C)c1C 19535168 MANPCYPOKUZIRQ-NRFANRHFSA-N 416.587 3.645 0 50 HHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)c1 19791318 NRXVZASICILMNS-NRFANRHFSA-N 410.587 3.824 0 50 HHAA O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc(F)cc1 20103521 GIQTXDJLBPQPCA-HXUWFJFHSA-N 415.428 3.687 0 50 HHAA O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)Cc2ccccc2)CC1 169345201 WDZLLVLOVVTTEO-VQHVLOKHSA-N 403.309 3.920 0 50 HHAA Cc1ccc(-c2cc(N3CCCN(C(=O)COc4ccc(F)cc4)CC3)[nH]n2)cc1C 169753135 VWYXVTHUYRPBCZ-UHFFFAOYSA-N 422.504 3.950 0 50 HHAA CSCC[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1nc2ccccc2n1C 252482614 DKWUASDNCAKNOU-QGZVFWFLSA-N 411.527 3.959 0 50 HHAA COc1cccc(Cn2c(NC(=O)Cc3cn(C)nc3Cl)nc3ccccc32)c1 815343636 WVYKRONYHFOZHS-UHFFFAOYSA-N 409.877 3.661 0 50 HHAA O=C1CC[C@@]2(c3ccccc3)N1c1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 1775970923 KLNYGQPDPOMXJR-RUZDIDTESA-N 406.445 3.814 0 50 HHAA Cc1n[nH]cc1CN(C)C(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857735205 MQCHBPIMQXEGEV-CQSZACIVSA-N 401.898 3.778 0 50 HHAA COC[C@](C)(NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875344178 GUEUDFPFPGEHKU-FQEVSTJZSA-N 401.394 3.554 0 50 HHAA Cc1cc(C)c(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(Cl)cc2)c(C)c1 754760 MUEJXJCKFHKIGE-QGZVFWFLSA-N 420.918 3.584 0 50 HHAA CN(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 940169 FAEBDWSPNAQGDN-JOCHJYFZSA-N 413.477 3.599 0 50 HHAA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc3c(c2)OCO3)NC(=S)N1 1123617 TUQYMJYGCXKZTN-QGZVFWFLSA-N 401.875 3.500 0 50 HHAA Cc1ccccc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1 2873723 CCNYNWVBCSXKEC-UHFFFAOYSA-N 418.902 3.753 0 50 HHAA CC(C)OCCCN[C@@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c23)C1 11787730 ICWCEZPPSSNQKF-GOSISDBHSA-N 411.571 3.768 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3)cc2CNCCn2ccnc2C)c(F)c1 11936281 RPDWHRDQGVEFEB-UHFFFAOYSA-N 405.477 3.982 0 50 HHAA CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)cc1 12038450 YRQSBVSBPLTUOY-FQEVSTJZSA-N 423.561 3.553 0 50 HHAA Cc1ccc(CN(C)Cc2nnc(SCCCO)n2-c2cccc(Cl)c2)o1 20908264 ZTPCMBAVAAOFNV-UHFFFAOYSA-N 406.939 3.929 0 50 HHAA C[C@@]1(NC(=O)CN2CCN(c3ccccc3)CC2)CCCC[C@H]1c1ccc(O)cc1 55552700 QJDUGJCDLGRUEZ-UKILVPOCSA-N 407.558 3.747 0 50 HHAA CC(C)(C)C(=O)Nc1ccncc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 170595188 ZUWAILVROHABRT-UHFFFAOYSA-N 408.502 3.557 0 50 HHAA Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc2cn3ccccc3n2)cc1 225486214 GSNCMCOJXAZIAG-HXUWFJFHSA-N 408.502 3.567 0 50 HHAA COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H]2C[C@@H](O)c2cccs2)c1 239672631 BUIGRYTWMJQJQY-TXPKVOOTSA-N 418.559 3.531 0 50 HHAA N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1C1CCN(C(=O)C2CC2)CC1 252537473 LHURYENDEFOAOO-UHFFFAOYSA-N 408.527 3.773 0 50 HHAA COc1ccc2[nH]cc(CCNC(=O)[C@@H](CC(C)C)N3Cc4ccccc4C3=O)c2c1 334162665 WGOJSLIWWSPMRS-HSZRJFAPSA-N 419.525 3.906 0 50 HHAA O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cccc2nccn12 772785253 LSCLZWFJIIPCOQ-UHFFFAOYSA-N 405.376 3.669 0 50 HHAA Cc1cccc(N(C)C(=O)COCCOCC(=O)N(C)c2cccc(C)c2C)c1C 917830734 QJKDLMMKAGYWRH-UHFFFAOYSA-N 412.530 3.579 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@](O)(c3ccc(C(F)(F)F)cc3)C2)cc1 1875373419 AHICLHFZPYGKMZ-OAQYLSRUSA-N 418.415 3.588 0 50 HHAA Cn1ccnc1[C@H](NC(=O)N1C[C@H]2CCCN2c2ccccc21)c1ccc(F)cc1 2325709332 OURBQXVAXVJMDM-WIYYLYMNSA-N 405.477 3.847 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 2978373 UEGYQNKTNAXHKJ-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA Cc1ccccc1CN(c1ccc(C(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 4978285 UBWKZANKEFWOPY-UHFFFAOYSA-N 422.550 3.934 0 50 HHAA C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3ccc4c(c3)OCO4)c3cccc1c32 9190001 LNOWUMLZVGLRMA-ZLOXQWCVSA-N 422.506 3.981 0 50 HHAA Cc1nc([C@H](C)NC(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)n[nH]1 67446992 KTTFVGGUFBNTHM-VIFPVBQESA-N 420.420 3.999 0 50 HHAA COc1ccc(CCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1OC 218431508 QOMLSYIXUFEWNW-UHFFFAOYSA-N 403.906 3.800 0 50 HHAA NC(=O)[C@H]1CCCN(Cc2cccc(CN[C@H]3CCCOc4ccc(F)cc43)c2)C1 482636851 ACUSLUYAUQRTRU-UGKGYDQZSA-N 411.521 3.527 0 50 HHAA NC(=O)[C@H]1CCCN(Cc2cccc(CN[C@@H]3CCCOc4ccc(F)cc43)c2)C1 482636850 ACUSLUYAUQRTRU-SIKLNZKXSA-N 411.521 3.527 0 50 HHAA Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C(N)=O)cc1 239402517 QTHRQMCNENRORF-NXNVCVFFSA-N 410.495 3.592 0 50 HHAA O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 96523163 PSWZKLIIBJTYBS-NEPJUHHUSA-N 401.677 3.840 0 50 HHAA CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2cn[nH]c2)CC1 299782073 VDNDPMKCIDWORC-OAQYLSRUSA-N 422.554 3.707 0 50 HHAA COc1ccc(NC(=O)C(C)C)c(NC(=O)C2(c3ccccc3)CCN(C)CC2)c1 824632823 BSMNKEOQMRBBPE-UHFFFAOYSA-N 409.530 3.892 0 50 HHAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1C 408560387 OWAJTVFZRRXLRP-UHFFFAOYSA-N 420.506 3.572 0 50 HHAA COCCN1C[C@@]2(CCCN(C3CCN(c4cccc(C)c4C)CC3)C2)CCC1=O 1506396435 STZAJJMEFMPXEU-VWLOTQADSA-N 413.606 3.623 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)c1cccc(NS(=O)(=O)c2ccccc2)c1 5184664 ZFQSOGCGMKOBPX-UHFFFAOYSA-N 410.451 3.511 0 50 HHAA CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)[C@H]2CCCO2)CC1 11772318 MBQUMGGZBLXYDH-QGZVFWFLSA-N 413.436 3.599 0 50 HHAA COc1ccccc1-n1cc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)cn1 12432334 NLHBUPBEXFHSBY-IBGZPJMESA-N 400.486 3.629 0 50 HHAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(C)Cc2csc(C)n2)CC1 12440209 FWGRBVPXSQJGKC-UHFFFAOYSA-N 421.950 3.767 0 50 HHAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cccc(C(=O)O)c2)cc1 15768149 QSTJCOHCTZOTJG-KGENOOAVSA-N 416.433 3.803 0 50 HHAA biogenic CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(Cc2ccc3nsnc3c2)C1 19773998 JDCDWEDQQHQOHR-SFHVURJKSA-N 423.586 3.780 0 50 HHAA CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19823099 DRQMCMXVSCMUMN-UHFFFAOYSA-N 416.905 3.571 0 50 HHAA CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 19889719 CDOXCBFAMSDQJT-UHFFFAOYSA-N 410.539 3.745 0 50 HHAA CCc1noc(-c2ccn3c(CNC(=O)c4ccc(C(C)(C)C)cc4)nnc3c2)n1 169776172 AJQQMKIWUDTOQW-UHFFFAOYSA-N 404.474 3.569 0 50 HHAA O=C(NCc1ccccc1CN1CC[C@H](O)C1)NCc1ccc2ccccc2c1F 1875320054 DYDPQRDELXZZNH-NRFANRHFSA-N 407.489 3.545 0 50 HHAA CC(C)N1CCN(C)C(=O)[C@]2(CC=CCC[C@H](c3ccccc3)C1=O)CCCNC2 2325894000 IPCIVHJKRUGNIY-RCZVLFRGSA-N 411.590 3.576 0 50 HHAA O=C(c1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(NC(=O)C(F)(F)F)cc1 755504 SCRKEEZRUIBDCV-UHFFFAOYSA-N 404.266 3.919 0 50 HHAA CCOC(=O)c1c(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)sc(C)c1C 955580 AVKVXYQXAZAJNB-UHFFFAOYSA-N 419.528 3.569 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Cl 1058467 MLIOJEWAHBLPMN-UHFFFAOYSA-N 420.874 3.672 0 50 HHAA CCOc1ccc(N([C@@H](C)C(=O)Nc2c(C)cccc2CC)S(C)(=O)=O)cc1 1118437 ZRKNRGDXEIGMJM-INIZCTEOSA-N 404.532 3.749 0 50 HHAA Cn1cc(Br)c(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)n1 2786269 DOGJLEMUSNBGID-UHFFFAOYSA-N 403.208 3.646 0 50 HHAA CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CCOC)cc1 2838036 CXOSHLKPELOFGJ-UHFFFAOYSA-N 410.543 3.809 0 50 HHAA COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 2888587 SMMLHACKPRNHGS-UHFFFAOYSA-N 402.560 3.946 0 50 HHAA O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 2982585 AQPMDPJNOUTPDC-UHFFFAOYSA-N 424.497 3.606 0 50 HHAA C[C@H](NC(=O)CSc1nnnn1-c1ccccc1F)C12CC3CC(CC(C3)C1)C2 4754178 RAVRGWRLFWYPSL-JHMRYYBSSA-N 415.538 3.615 0 50 HHAA O=C(NCCCn1ccnc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 9060444 WXRPAOCTKMQIHF-DOTOQJQBSA-N 418.423 3.560 0 50 HHAA C/C=C(\C)C(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccccc2SC)C1 11840442 OCHATOCJLUKKMH-PJQLUOCWSA-N 409.555 3.893 0 50 HHAA CC1(C)[C@H]2CC=C(CN3CCC([C@@]4(CCc5ccccc5)NC(=O)NC4=O)CC3)[C@@H]1C2 12134269 VAALVFIVNDOGBE-AOJNWGRGSA-N 421.585 3.902 0 50 HHAA COC(=O)c1c(NC(C)=O)c2cc(NCc3c(F)cccc3Cl)cnc2n1C 14530639 MIIBZSQBSUXLQL-UHFFFAOYSA-N 404.829 3.723 0 50 HHAA CCc1ccc(CN(C)C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)cc1 14994715 VULGSPADRKFLLX-HSZRJFAPSA-N 412.917 3.578 0 50 HHAA Cc1nnc(SCC(=O)N[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)s1 15067711 JDWBWRQLQKRPEF-MRXNPFEDSA-N 413.572 3.935 0 50 HHAA COc1ccc(-c2coc3cc(OC(=O)[C@@H](N)Cc4ccccc4)ccc3c2=O)cc1 22589081 QCFHTTMYZNYKII-QFIPXVFZSA-N 415.445 3.944 0 50 HHAA CCOc1ccc2nc(NC(=O)C3CCN(C(=O)N(CC)CC)CC3)sc2c1 59749732 IASMXZCVTNSKDU-UHFFFAOYSA-N 404.536 3.807 0 50 HHAA COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 100722334 AJAPTWKTHVPRHV-YPAWHYETSA-N 418.424 3.885 0 50 HHAA CCOc1cccc(CN2CCC(OCC)(c3nc([C@H]4CCCO4)no3)CC2)c1 225839720 OJKMVBQBWPGYKH-LJQANCHMSA-N 401.507 3.848 0 50 HHAA O=C(Nc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)CC1 239159679 MOZWIIKZGVFYHI-XGECVWACSA-N 424.928 3.890 0 50 HHAA O=C(c1cnc(C2CC2)nc1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704335304 CVUNCIDKAJYCNG-VWLOTQADSA-N 411.509 3.931 0 50 HHAA O=C1[C@@H](n2cc(-c3ccc(Cl)cn3)nn2)CCCN1Cc1ccc(F)cc1F 1857531556 RFEZMVBUQPLPBT-SFHVURJKSA-N 403.820 3.635 0 50 HHAA CCC1(CC)CCN(C(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)C1 1857715230 HYMHOPOKKQCIJP-KRWDZBQOSA-N 412.559 3.521 0 50 HHAA Cc1ccc(-n2nc(C)c(C(=O)Nc3ccc(CN4CCCCC4)nc3)n2)c(C)c1 2325749578 ZOBNELLSQPSDFS-UHFFFAOYSA-N 404.518 3.826 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Br)cc(C(F)(F)F)c2O)C1 2325889245 HIXHARFSNDPCCS-SECBINFHSA-N 421.213 3.537 0 50 HHAA COc1ccc(C(NC(=O)c2cccc(OC)c2)NC(=O)c2cccc(OC)c2)cc1 626949 XUDYYXNIZKCTEH-UHFFFAOYSA-N 420.465 3.571 0 50 HHAA Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)c2)c1 754836 HKRILFDSFKMYMU-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA O=C(NCCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 834582 NXAFSAKGPPKSJW-AWEZNQCLSA-N 421.722 3.814 0 50 HHAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)cc1 1144279 SRLYFRUAPFSZSD-UHFFFAOYSA-N 413.455 3.653 0 50 HHAA CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(C)cc2)cc1 4178475 GUMFFRMAUBJTBC-UHFFFAOYSA-N 411.454 3.707 0 50 HHAA CC1(C)CCc2ccccc2[C@@H](NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 225656194 YYZCQPGAERRVGT-FPOVZHCZSA-N 404.510 3.725 0 50 HHAA COCc1cc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)ccc1OC 22914471 YXPAOVPHNNTSEM-DEOSSOPVSA-N 409.574 3.628 0 50 HHAA O=C(c1ccc2c(ccn2Cc2ccccc2)c1)N1CCC(N2CCCNC2=O)CC1 431894578 RPXJKYICOBMAAE-UHFFFAOYSA-N 416.525 3.710 0 50 HHAA Cc1nc2cc(OCc3nc(C(=O)NCCC[C@@H]4CCOC4)co3)ccc2s1 91997798 IBOVZJZGJLCJIC-CQSZACIVSA-N 401.488 3.718 0 50 HHAA CCN1CCN(CCOc2ccc(CN3CCc4c(Cl)cccc4C3)cc2)CC1 823116387 RKWGTVQKTVSXSK-UHFFFAOYSA-N 413.993 3.915 0 50 HHAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CN3CCCCCC3)C2)c(C)c1 11818794 CPIFUTQOEQLNDN-FQEVSTJZSA-N 415.578 3.837 0 50 HHAA COc1cccc(CN2CCC[C@H](NC(=O)c3c[nH]nc3-c3cccc(F)c3)C2)c1 12433976 VHPVLUDDAXPWNQ-IBGZPJMESA-N 408.477 3.619 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCCc1cccc(OC)c1)C2 14743085 SBDKQRYSQDDSFE-FQEVSTJZSA-N 424.589 3.617 0 50 HHAA Cc1cccc(Cc2nnc(CCC(=O)N(C)Cc3nc4ccc(F)cc4[nH]3)o2)c1 15080508 KXWGYVFZLQKJGL-UHFFFAOYSA-N 407.449 3.575 0 50 HHAA Cc1ccccc1CNC(=O)c1cccc(OC2CCN(C3CCN(C)CC3)CC2)c1 19113973 XHVFYUKHKRSOFA-UHFFFAOYSA-N 421.585 3.862 0 50 HHAA CCN1c2cc(C(=O)NCc3ccccc3OC)ccc2C(=O)N2CCCCC[C@@H]21 169766292 DJDKEWWEPIPRPB-JOCHJYFZSA-N 407.514 3.807 0 50 HHAA O=C(c1cnc(O)c2ccccc12)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857713398 HISONKCMOPGXKI-PGRDOPGGSA-N 418.493 3.828 0 50 HHAA CC(C)CCS(=O)(=O)NC(=O)c1cc2ccccc2n1Cc1ccccc1F 1875342939 AGERZMKNTYTOJT-UHFFFAOYSA-N 402.491 3.934 0 50 HHAA Clc1c[nH]ccc1=NC1CCN(c2nccc(N3Cc4ccccc4C3)n2)CC1 2325824880 UOIUHIPYKHNANV-UHFFFAOYSA-N 406.921 3.548 0 50 HHAA CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 792020 UVSBTNIDQZVXOT-UHFFFAOYSA-N 404.507 3.989 0 50 HHAA COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3Cl)C2)cc1OC 890338 ACZOMONSVCMHIW-QGZVFWFLSA-N 416.861 3.900 0 50 HHAA CN(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Cl 1124956 MXZMZJWQIFNGRK-UHFFFAOYSA-N 413.326 3.593 0 50 HHAA CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 2140709 FZJFLKBXFZMNDF-UHFFFAOYSA-N 414.449 3.965 0 50 HHAA COc1cccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccccc2)c1 2994782 TWLNIPBLWQWBGV-UHFFFAOYSA-N 418.559 3.687 0 50 HHAA CCOC(=O)c1cc2cc3c(cc2oc1=O)N(CCCC(=O)O)C(C)(C)C[C@@H]3C 100079929 WNDDWSAHNYBXKY-ZDUSSCGKSA-N 401.459 3.927 0 50 HHAA in-vitro COC(=O)C[C@](C)(NCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccn1 225423453 QWKIHISUOHGTNA-DEOSSOPVSA-N 419.481 3.881 0 50 HHAA CN(Cc1ccc(F)cc1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 55107645 YWBRXUJSMBKVML-UHFFFAOYSA-N 415.534 3.691 0 50 HHAA CCOC(=O)COc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 9600882 YQXOPZZAPORVME-LJQANCHMSA-N 424.482 3.706 0 50 HHAA Cc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)c1 65362362 IMZMAZFJPXGVFU-GOSISDBHSA-N 402.502 3.744 0 50 HHAA COc1ccc(-c2nc3c4cnn(C)c4ncn3n2)cc1COc1ccccc1Cl 2802787 FODNJHTXXVUWGA-UHFFFAOYSA-N 420.860 3.919 0 50 HHAA C[C@H](Cn1ccnc1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 240407381 FLVIPEYGDVMYIU-SMOSDQRPSA-N 414.937 3.515 0 50 HHAA COc1ccc(N2C(=O)CN(C(=O)c3cccnc3SC)CC23CCCC3)cc1 14998554 PRUZLDKHGIZGMU-UHFFFAOYSA-N 411.527 3.614 0 50 HHAA COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 195464093 YUIOLTJERQAJEI-OCGZXGEUSA-N 414.461 3.505 0 50 HHAA COc1cc(C)c(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1OC 170599574 BHTGGWLVFILRJG-MRXNPFEDSA-N 408.420 3.926 0 50 HHAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)CCCOc1ccc(Cl)cc1Cl 5021079 KCYDGZBQCCHMJH-UHFFFAOYSA-N 417.314 3.747 0 50 HHAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccc(C)o2)n1CCCc1ccccc1 11754222 DJLKBSPFNURLNU-UHFFFAOYSA-N 415.559 3.843 0 50 HHAA Cc1cccc(C[C@H](C)NC(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)n1 11937285 YWLFKJBWZKGIHX-KRWDZBQOSA-N 417.513 3.720 0 50 HHAA CCOC(=O)C1(CC2CC2)CCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)CC1 12315480 QEIKGPRJRQYTCA-UHFFFAOYSA-N 401.482 3.607 0 50 HHAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cc(C)nn2C)CC1 12585086 KCLSRTBJIDRTAV-UHFFFAOYSA-N 412.578 3.748 0 50 HHAA COc1ccc2cc(CNCC3(O)CCCCC3)c(N3CCSCC3)nc2c1 14885830 BOEHDNQCAFGKEC-UHFFFAOYSA-N 401.576 3.581 0 50 HHAA O=C(c1ccccc1)N1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 19626257 RUTWJFHUJLHOGI-NRFANRHFSA-N 413.521 3.613 0 50 HHAA biogenic,in-vitro Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)c1 169772943 RNHMIIKKIZLSSD-GFCCVEGCSA-N 413.275 3.625 0 50 HHAA O=C(CCc1ccccc1Cl)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1875248750 LEAMFQOATUBELJ-MZKRTTBSSA-N 410.901 3.574 0 50 HHAA CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(C)cc2)cc1OC 716239 RSRZJOGQVUZDJP-NRFANRHFSA-N 410.470 3.774 0 50 HHAA CCOC(=O)N[C@@](Nc1ccc(OC(F)(F)F)cc1)(C(=O)OCC)C(F)(F)F 2192137 YZCZWLVPVCVUQZ-ZDUSSCGKSA-N 418.290 3.565 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCCSc3ccc(Br)cc32)CC1 2325889486 SZMSIJZJDUJYTL-INIZCTEOSA-N 423.376 3.917 0 50 HHAA CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 686618 FGFYTOQYPABGJI-GFCCVEGCSA-N 403.533 3.705 0 50 HHAA Cc1ccc(N(Cc2ccc(C(=O)NCc3ccccn3)cc2)S(C)(=O)=O)cc1C 877133 DVVGQEYKLGRCGM-UHFFFAOYSA-N 423.538 3.595 0 50 HHAA COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1OC 887777 CAJYTAURGVSELO-INIZCTEOSA-N 403.438 3.659 0 50 HHAA aggregator CCOC(=O)c1sc2ncn([C@@H](CC)C(=O)OCc3ccccc3)c(=O)c2c1C 921193 MSCAXAGYRKYRSF-HNNXBMFYSA-N 414.483 3.638 0 50 HHAA CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@H](C)Oc1ccccc1 1057127 DUFQFMDOPPAZRH-AWEZNQCLSA-N 407.499 3.967 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1cc(Cl)ccc1Cl 1157305 GIGVAJYEJKRYGN-UHFFFAOYSA-N 409.241 3.676 0 50 HHAA COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 1158259 TXUVXDYDCDMQPN-UHFFFAOYSA-N 417.303 3.949 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccccc2)cc1 2071963 YTSXWFIOIRNXMI-UHFFFAOYSA-N 418.559 3.687 0 50 HHAA Cc1cc(-c2nnc(S)n2-c2cnn(Cc3ccc(Cl)cc3Cl)c2)n(C)n1 2808255 UDNFSZHGYAGKIT-UHFFFAOYSA-N 420.329 3.817 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2cc(Cl)ccc2Cl)cc1 2883509 KMYMGGZLUHLFTJ-UHFFFAOYSA-N 413.326 3.776 0 50 HHAA O=C1N/C(=C\c2ccc(O)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 4704893 GEWHKGALUHMSPG-ZSOIEALJSA-N 407.651 3.901 0 50 HHAA CCCc1cc(=O)[nH]c(SCC(=O)Nc2c(-c3ccccc3)nc3ccccn23)n1 8846500 IXMAERWORNOHRL-UHFFFAOYSA-N 419.510 3.768 0 50 HHAA biogenic,in-vitro COc1cc(CNCc2ccccc2)ccc1OC[C@H](O)CN1CCCCCCC1 11661365 KHKCZOZWMQMIMI-HSZRJFAPSA-N 412.574 3.991 0 50 HHAA O=C(CCC1CCN(C(=O)c2c[nH]cn2)CC1)N1CCC(Cc2ccccc2)CC1 11664315 WODNWDRZZLPFBP-UHFFFAOYSA-N 408.546 3.523 0 50 HHAA Cc1ccccc1Cn1cc(C(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)nn1 12075846 HQZVOTYDYMYQIB-UHFFFAOYSA-N 418.476 3.506 0 50 HHAA Cc1c(C(=O)NCc2ccc(F)cc2F)sc2ncnc(NC[C@@H]3CCCO3)c12 14979410 OQXACTGFZKRISZ-AWEZNQCLSA-N 418.469 3.799 0 50 HHAA O=C(CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)NCC1CCOCC1 14993106 DYXYUSQRGWZBLT-SANMLTNESA-N 420.553 3.868 0 50 HHAA CC(C)CN(C)C(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 14993442 DHFYEVYJLQFUMG-UHFFFAOYSA-N 419.485 3.663 0 50 HHAA CCOC(=O)N1CCC(N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)CC1 15064594 QNIAAFPKSWOAQZ-GOSISDBHSA-N 419.541 3.555 0 50 HHAA COC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 18249798 IFOXDRSMAQVWRT-UHFFFAOYSA-N 402.863 3.643 0 50 HHAA CCCCN(C)C(=O)c1nc2ccccn2c1CNCCn1ccc2ccccc21 20449171 KJJPBSTYBZMQKM-UHFFFAOYSA-N 403.530 3.951 0 50 HHAA Cc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(N2CCCC2)n1 67629791 LSLUVNUYGCALGM-UHFFFAOYSA-N 401.514 3.501 0 50 HHAA COC(=O)[C@H](Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)NC(C)=O 169806001 BNOWSKWRQFBEES-HNNXBMFYSA-N 416.783 3.766 0 50 HHAA COc1ccc(N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 239164965 NFRIQTUVSBIGGV-BDTNDASRSA-N 400.434 3.746 0 50 HHAA CC(C)[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2n1C(C)C 252536725 JHNYAEYOTIIFCK-HXUWFJFHSA-N 417.513 3.991 0 50 HHAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1nc(-c2cccs2)cs1 253535886 PXGHBMSTDZATOK-CYBMUJFWSA-N 412.496 3.525 0 50 HHAA O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)C1=NO[C@@H](c2ccccc2)C1 261475621 ZODNLWJAMNZHFG-HNAYVOBHSA-N 401.413 3.501 0 50 HHAA CN(c1ccc(Br)cn1)S(=O)(=O)c1cccc(Br)c1F 328593355 ALSKNVWHHBZMIF-UHFFFAOYSA-N 424.089 3.571 0 50 HHAA O=C(c1nc(C2CC2)n(-c2ccccc2Cl)n1)N1CCOC2(CCCCC2)C1 461330917 JJAPONTUTRPKPL-UHFFFAOYSA-N 400.910 3.973 0 50 HHAA CN(Cc1ncnn1CC(F)F)C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 470572407 AUIJNXZZZPJYDQ-UHFFFAOYSA-N 409.440 3.818 0 50 HHAA Cc1cc(F)c2nc(O)cc(C(=O)N(C)[C@@H](C)c3ccc([S@](C)=O)cc3)c2c1 485749629 ZAHUKVVRAVETDR-OIJAAMDRSA-N 400.475 3.959 0 50 HHAA COc1ccc(CCN(Cc2ccccn2)C(=O)[C@@H]2CC(=O)OC23CCCC3)cc1 952966648 XTLJVLNZNRSPKV-NRFANRHFSA-N 408.498 3.537 0 50 HHAA C[C@H](NC(=O)c1ccc(CN2CCCC2)o1)C(O)(c1ccccc1)c1ccccc1 952973433 AAQDSYPNPQYWNO-IBGZPJMESA-N 404.510 3.930 0 50 HHAA O=C(C1CCN(Cc2cc(-c3cccnc3)no2)CC1)N1CCc2ccccc2C1 1506414888 IUOCDDPOKRSCQC-UHFFFAOYSA-N 402.498 3.534 0 50 HHAA CCn1ccnc1CNC(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857723309 ZKYRVBTZCHHDER-CQSZACIVSA-N 401.898 3.621 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)cc1 1875374091 ZYWKRAGFINLHTM-OAQYLSRUSA-N 420.509 3.917 0 50 HHAA COc1cccc(CNC(=O)[C@@H](C)n2cc(-c3cccc(Br)c3)nn2)c1 2325776339 AIRXKTPECNLRFA-CYBMUJFWSA-N 415.291 3.594 0 50 HHAA C[C@@H](NC(=O)c1c(OCc2ccccc2)c(=O)ccn1C)c1nc2c(s1)CCCC2 2356149624 MNLZPLANNIAFFO-OAHLLOKOSA-N 423.538 3.791 0 50 HHAA COc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)c(OC)cc1Cl 869829 YXSLXLXRELRQOZ-UHFFFAOYSA-N 403.788 3.700 0 50 HHAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nnnc2N1 957900 GUYPBPKDRXPMSG-MRXNPFEDSA-N 401.257 3.908 0 50 HHAA CCOc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)cc1 1154986 BJNYKHJDTMIUDJ-CQSZACIVSA-N 410.923 3.840 0 50 HHAA Nc1nc(SCCCCN2C(=O)c3ccccc3C2=O)nc2sc3c(c12)CCC3 2269469 BVJGOYAWHAFAJV-UHFFFAOYSA-N 424.551 3.931 0 50 HHAA COc1ccccc1N1C2=[N+](CCCCC2)C[C@@]1(O)c1ccc(OC(F)F)cc1 2387578 GQNSAXVQPKHBSN-JOCHJYFZSA-N 403.449 3.947 0 50 HHAA Cc1ncc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3CC2CCCCC2)c(O)n1 2356160225 JCOYYIIOGMERQO-WAGURGNTSA-N 412.578 3.776 0 50 HHAA Cc1cccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4)c3)nc12 8598311 LPVNJXOGTLQUIS-UHFFFAOYSA-N 415.449 3.599 0 50 HHAA Cc1cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc(N2CCCC2)n1 67604875 NUKVIMBPIGIHEU-UHFFFAOYSA-N 401.514 3.501 0 50 HHAA C[C@H]1C(=O)Nc2cc(C(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3)ccc2N1C 426949160 SJXGXZUZHUVTOT-GOEBONIOSA-N 412.921 3.516 0 50 HHAA Cn1c2c(cc(-c3ccccc3)c1=O)CN(Cc1cnn(-c3ccc(F)cc3)c1)CC2 14530485 QEKOSTWFQSAAPU-UHFFFAOYSA-N 414.484 3.935 0 50 HHAA CCc1c(C)sc(NC(=O)COCC(=O)O)c1C(=O)Nc1cccc(Cl)c1 17088689 FOAIZJOCFNRFJS-UHFFFAOYSA-N 410.879 3.564 0 50 HHAA Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N(C)Cc4ccccc4)ncc32)[nH]n1 91536640 WXGHIROGKMXDAX-IBGZPJMESA-N 404.518 3.588 0 50 HHAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 827676606 FKMDRRGFQUFYII-NWLMGIFWSA-N 422.529 3.770 0 50 HHAA Cc1nn(C)c(C)c1NS(=O)(=O)c1c[nH]nc1-c1cc(F)c(Cl)cc1Cl 170610544 CFXGBGSGXMXEDZ-UHFFFAOYSA-N 418.281 3.674 0 50 HHAA CC(C)n1nc(C2CCOCC2)nc1[C@@H]1CCCN(C(=O)c2cnsc2)CC1 1772817054 GLEIOWGCPNOYGI-MRXNPFEDSA-N 403.552 3.619 0 50 HHAA Cc1ccc(-n2cc(CNCC3CCN(CCO)CC3)c(-c3ccc(F)cc3)n2)cc1 11838641 BVORMTXTNBXTKS-UHFFFAOYSA-N 422.548 3.781 0 50 HHAA O=C1CCN(Cc2ccc3c(c2)OCO3)CCN1Cc1cccc(C(F)(F)F)c1 14995560 SUYQHUIRCPCTHC-UHFFFAOYSA-N 406.404 3.669 0 50 HHAA COc1cc(-c2nc(-c3ccc(O)cc3O)[nH]c2-c2oc(C)cc(=O)c2O)ccc1O 1857526467 IESKXUIVDHOMQH-UHFFFAOYSA-N 422.393 3.503 0 50 HHAA CC(C)c1cc(N2CCC[C@@H](c3ccn[nH]3)C2)nc(N2CCC[C@H](c3ccn[nH]3)C2)n1 253369790 ICYDSYXRDYWDSM-MSOLQXFVSA-N 420.565 3.814 0 50 HHAA OC[C@]1(F)C[C@H](c2nc(COCc3ccccc3)nn2-c2cc(F)c(F)c(F)c2)C1 1875348519 UGUVEZYAXBRZEO-HNSKJHPRSA-N 421.394 3.979 0 50 HHAA O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cc(CCc2ccccc2)ccc1O 1301232375 GLVLFFUSIHAWOU-QFIPXVFZSA-N 406.526 3.841 0 50 HHAA CSc1cccc(Nc2ccc(NS(=O)(=O)c3cn4c(n3)CCCC4)nc2)c1 2325842423 XONPQTQDISDETD-UHFFFAOYSA-N 415.544 3.881 0 50 HHAA CCOC(=O)c1ccc(NC(=S)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 1070231 VGIDYAYKDXQOEH-UHFFFAOYSA-N 417.575 3.531 0 50 HHAA CCOC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccccc2F)c(C(=O)OCC)c1C 1121138 NELJQPCPLMKICL-GFCCVEGCSA-N 423.462 3.955 0 50 HHAA C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 1147952 APHMRPVKRJLDRN-ZHRRBRCNSA-N 402.450 3.956 0 50 HHAA CC(C)(C)c1ccc(OCNC(=S)NC(=O)c2cncc(Br)c2)cc1 1183592 UBKAFTFWGBKMRC-UHFFFAOYSA-N 422.348 3.782 0 50 HHAA COC(=O)Cc1ccc(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 2841666 DBYBMKZBIDYVCC-UHFFFAOYSA-N 417.962 3.883 0 50 HHAA COC(=O)Cc1c(C)c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(C)c2oc1=O 4949895 HQOFMPYBXSXOIU-UHFFFAOYSA-N 423.465 3.760 0 50 HHAA COc1ccc(-c2noc(CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1OC 7720408 YRIXJQUBTRATHN-UHFFFAOYSA-N 408.241 3.991 0 50 HHAA C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c2)C1=O 12003842 RQLTVYIEIWOUTC-CQSZACIVSA-N 400.500 3.549 0 50 HHAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2C)CC1 12050265 DPFGGHSFUYJKFL-UHFFFAOYSA-N 408.458 3.523 0 50 HHAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[C@@H](OCc2ccccc2)C1 12073649 VNFARCZVCTXBAN-JOCHJYFZSA-N 404.514 3.732 0 50 HHAA COc1ccc(CN2C[C@@H]3C[C@@H](c4csc(C(C)=O)c4)N4CCC[C@@]34C2=O)cc1 12440449 KHBHPGOUJGUXHM-LEDOBFOHSA-N 410.539 3.897 0 50 HHAA COc1cc(-c2cnnc(NCCc3ccccc3Cl)n2)cc(OC)c1OC 12593707 PSBNZAZOSVYQFM-UHFFFAOYSA-N 400.866 3.872 0 50 HHAA c1ccc(OCc2noc(CN3CCCN(c4nc5ccccc5s4)CC3)n2)cc1 12701487 RWXOEGZXVDQHRJ-UHFFFAOYSA-N 421.526 3.971 0 50 HHAA O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 12704632 AFJFCDJMEYUTAN-OAQYLSRUSA-N 408.546 3.509 0 50 HHAA CCc1oc(=O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1C 13373334 ZOIAPLVBZQQHCG-UHFFFAOYSA-N 402.443 3.635 0 50 HHAA biogenic COc1ccc(F)c(CN2CCC[C@]3(CCN(Cc4cccc5nonc45)C3)C2)c1 14955561 AIICRLOWZVFDHU-QHCPKHFHSA-N 410.493 3.859 0 50 HHAA Cn1c(SCCN2CCCCC2)nnc1C1CCN(Cc2cccs2)CC1 14992185 KLUIPVSCLPXFPS-UHFFFAOYSA-N 405.637 3.834 0 50 HHAA CN1CCC(N(C)Cc2cccc(OC[C@H]3CCCN(C(=O)C4CCC4)C3)c2)CC1 14994835 NLFFEDKZIDTECK-NRFANRHFSA-N 413.606 3.630 0 50 HHAA COc1cccc(C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1OC 19567344 DAPYTCMJRSJVOO-UHFFFAOYSA-N 408.420 3.681 0 50 HHAA CCN(Cc1cccc(OCCO)c1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 55244914 LCPNDANJCQSZLQ-HSZRJFAPSA-N 414.565 3.973 0 50 HHAA CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCc4ccccc4CC3)cn2)C1 170594208 OBKGILNKUGYRDC-OAQYLSRUSA-N 424.545 3.696 0 50 HHAA CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2[nH]1 252481045 CHDUHEUDLGIMQT-QGZVFWFLSA-N 409.881 3.709 0 50 HHAA O=C(c1cccn(Cc2c(Cl)cccc2Cl)c1=O)N1CC(c2ccccn2)C1 426737513 MZYZIRAPYWEEQH-UHFFFAOYSA-N 414.292 3.838 0 50 HHAA O=C(Cc1ccc2c[nH]nc2c1)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 793730527 SNPGTYZYZXBWGG-SANMLTNESA-N 411.505 3.968 0 50 HHAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(N2CCN(C)CC2)cc1 823792781 VVBCTLXNSUNKAZ-LJQANCHMSA-N 420.557 3.705 0 50 HHAA Cc1ccc2oc(CN3C[C@H]4CN(Cc5scnc5C)C[C@@]4(CO)C3)c(C)c2c1 1772707911 YWGWYDYNJSROFV-FDDCHVKYSA-N 411.571 3.741 0 50 HHAA CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2Cc2cc(F)ccc2F)c1 1875336494 GLTOSHSTLNIFAU-SFHVURJKSA-N 407.482 3.996 0 50 HHAA O=C(OCc1ccccc1)N1CC[C@]2(C[C@H]2C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)C1 2325873720 QVZZDWUOWJUBQT-KJWPAHLWSA-N 420.509 3.757 0 50 HHAA C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2C1=O 692830 UUTBRGSTQJFDOS-CQSZACIVSA-N 414.417 3.994 0 50 HHAA CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 1049385 XLJMXTCLLJBWEL-UHFFFAOYSA-N 424.478 3.916 0 50 HHAA CNc1nc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)ccc1C 1488374 QILKJZOYDVAGPZ-UHFFFAOYSA-N 422.907 3.958 0 50 HHAA CCCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 2865952 MRWTXROWHRLSFE-UHFFFAOYSA-N 402.560 3.637 0 50 HHAA Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 4412914 BNNWNABJZBXCBY-UHFFFAOYSA-N 419.481 3.568 0 50 HHAA CCOC(=O)c1sc(NC(=O)CSc2ccccn2)c(C(=O)OCC)c1C 4835307 JDZRBLCKZMCZKW-UHFFFAOYSA-N 408.501 3.536 0 50 HHAA COc1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 4990977 HXXJZEOPKOOIFU-IBGZPJMESA-N 401.528 3.648 0 50 HHAA C[C@@H](Cc1cccs1)NC1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1 11912663 GFCBASNTPLFYEB-KRWDZBQOSA-N 421.570 3.980 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4cc[n+]([O-])cc4)C3)c2)c1 12387615 RBQHVEDSRBURHE-JOCHJYFZSA-N 415.493 3.786 0 50 HHAA CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCCC1 12572619 CUUJOQNPEPKGBP-NRFANRHFSA-N 406.014 3.929 0 50 HHAA CN(Cc1cccc(OCCNC(=O)[C@H]2CCCO2)c1)Cc1cccc2cccnc12 14881800 OZPUPBKGYLBNHY-HSZRJFAPSA-N 419.525 3.541 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)N[C@@H](C)c2cccs2)c1=O 14887614 FTEXOJAILRFCSL-HNNXBMFYSA-N 403.548 3.710 0 50 HHAA COc1ccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Br 19558936 FCYHJNPZTMHQJZ-UHFFFAOYSA-N 407.283 3.555 0 50 HHAA C[C@H](CN1CC2(CCN(C(=O)CCc3cccnc3)CC2)OC1=O)c1ccccc1 77455445 YZCCIBMAHSBTJJ-LJQANCHMSA-N 407.514 3.631 0 50 HHAA O=C(c1cccnc1)[C@@H]1CCCN(C(=O)[C@@H]2CC(Cc3ccccc3Cl)=NO2)C1 299767216 PLRIBXKOTYYMEY-XLIONFOSSA-N 411.889 3.544 0 50 HHAA CCOc1ccc2nc(N3CCC(N4CCC[C@H]4c4nonc4C)CC3)nc(C)c2c1 299780499 APRBHPGHYXUFNO-NRFANRHFSA-N 422.533 3.834 0 50 HHAA COc1ccc(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C1CCN(CCc2ccccc2)CC1 299785031 IQGQLBBTFROARA-UPVQGACJSA-N 419.569 3.500 0 50 HHAA O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)N1CCc2ccc(O)cc2C1 426433967 UNNZKAHBMYBRIL-KRWDZBQOSA-N 416.319 3.501 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCCc3cccnc3)csc2C1 426734149 RGJBADMXQYQJAH-UHFFFAOYSA-N 410.543 3.669 0 50 HHAA Cc1ccc(S[C@H](C)C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 485604529 ZECFKZOVZWFSFH-GFCCVEGCSA-N 416.494 3.695 0 50 HHAA CC(C)C(=O)Nc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)ccn1 487440965 ASJLFUXFVURYCV-UHFFFAOYSA-N 420.435 3.657 0 50 HHAA Cc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1N1CCOCC1 952981573 IXUGGPOQXIGBRC-UHFFFAOYSA-N 409.530 3.557 0 50 HHAA CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(Cl)cc1F 1191888366 UKVDUPAKTZXPCX-QGZVFWFLSA-N 410.942 3.763 0 50 HHAA Cc1ccc([C@@H]2C[C@H]2C(=O)NC2(C)CCN(c3ccc4nccnc4n3)CC2)cc1C 1875335575 VBGJVQWYIBLWJK-VQTJNVASSA-N 415.541 3.920 0 50 HHAA Cc1csc(-c2cccc(S(=O)(=O)NC(=O)Cc3ccc(Cl)cc3)c2)n1 1875350098 ALLMALWBWIQKIO-UHFFFAOYSA-N 406.916 3.820 0 50 HHAA O=C(/C=C/c1ccccc1)NCCCCCn1cc(CC2(C(=O)O)CCCCC2)nn1 1875359748 OVLQBQBOUCKWQJ-OUKQBFOZSA-N 424.545 3.856 0 50 HHAA C=CC(=O)N1CCC(C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)CC1 1875371772 LQNSSXBWDCACIH-MRXNPFEDSA-N 423.376 3.869 0 50 HHAA Cc1c(CNS(=O)(=O)c2cc(Cl)cc3c2OCC3)noc1-c1ccccc1 2325819023 NJIOWLYYAAFFEZ-UHFFFAOYSA-N 404.875 3.717 0 50 HHAA CC(C)(C)c1cc(NS(=O)(=O)c2onc(C3CC3)c2Cl)n(-c2ccccn2)n1 2325841585 AOMUUFLKUNPBTI-UHFFFAOYSA-N 421.910 3.884 0 50 HHAA O=C(O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1 758695 YMHCRCLTDUMGCW-UHFFFAOYSA-N 404.378 3.588 0 50 HHAA COc1cccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 817151 DTXJMSGQADYHDP-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA CCOC(=O)[C@](O)(c1ccc(N(CC)C(=O)c2cccs2)cc1)C(F)(F)F 2841375 IAGBDIZIUINRNK-QGZVFWFLSA-N 401.406 3.728 0 50 HHAA Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)Cc4ccsc4)CC3)cc2)n1 11879244 IZQROYJJRIQGQF-UHFFFAOYSA-N 422.554 3.970 0 50 HHAA CCOC(=O)N1CCC(N2CCC[C@@](CCc3ccccc3)(C(=O)OCC)C2)CC1 12001068 FQEDZEOLDOHLJN-DEOSSOPVSA-N 416.562 3.885 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2ccsc2)C1 12593371 LYMRQQBNMBIWSO-FQEVSTJZSA-N 407.557 3.633 0 50 HHAA CSc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)[C@H](NC(C)=O)C(C)C)O3)cc1 14970259 XLCXIEUAZWQWBU-SIKLNZKXSA-N 412.555 3.656 0 50 HHAA CC(=O)N1CCC(N2CCC([C@H]3CCN(Cc4ccc(Cl)cc4)C3)CC2)CC1 19838034 XZZLDMDIIXNKMF-NRFANRHFSA-N 403.998 3.885 0 50 HHAA COCCN(Cc1ccc(COC)o1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 20204745 CZTGEGCYMNDDNT-HXUWFJFHSA-N 412.574 3.754 0 50 HHAA CCc1noc([C@H](C)NC(=O)Cc2c3c(n(C(C)C)c2C)CC(C)(C)CC3=O)n1 95500679 YJRVUTNCPBLTHN-ZDUSSCGKSA-N 400.523 3.898 0 50 HHAA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@@H]3N3CCCN23)cc1 138539316 PHGKFKALPXMVGW-YQVWRLOYSA-N 416.308 3.837 0 50 HHAA COc1ccc([C@@H](C)NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 169772530 LFSDTORJIHKHET-CYBMUJFWSA-N 408.424 3.598 0 50 HHAA O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)Nc1ccn(CCc2ccncc2)n1 170644015 KYBZBWANPOBXBR-FQEVSTJZSA-N 407.474 3.723 0 50 HHAA CCOc1cc(C(=O)O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 220972973 MVEIENLUVPTKKW-UHFFFAOYSA-N 415.261 3.622 0 50 HHAA CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cnc(C)cn2)cc1 225718930 DBXIXJAREMEBNW-FQEVSTJZSA-N 410.518 3.782 0 50 HHAA O=S(=O)(c1ccccc1F)N1CCC[C@@H]1[C@H]1CCCN(Cc2ccccc2)C1 239619620 BFVNUDSALSSJKX-PZJWPPBQSA-N 402.535 3.891 0 50 HHAA C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N[C@H]1CCCN(CC(F)(F)F)C1 390832723 QRGKFTWWAFDMFO-RDJZCZTQSA-N 421.463 3.987 0 50 HHAA CCOc1cc(NC2CCN(C(=O)c3c[nH]cc3-c3ccc(C)s3)CC2)ncn1 427808636 QPCCPQZBSFJFLF-UHFFFAOYSA-N 411.531 3.957 0 50 HHAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cccc3ccc(C)nc13)CC2 431994599 WMCDYTRXXWWDBB-IBGZPJMESA-N 420.465 3.775 0 50 HHAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 801245648 CEIHHNUWHIFKLR-LBPRGKRZSA-N 411.424 3.539 0 50 HHAA CCCC[C@@H](c1cccnc1)N(C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 952963839 JLIQKZHNCKIDIE-FQEVSTJZSA-N 403.548 3.546 0 50 HHAA Cc1cc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)n([C@H](C)C2CC2)n1 1506397141 NZYBUTVBICEYSX-QGZVFWFLSA-N 410.518 3.806 0 50 HHAA Cc1cc(C)n(S(=O)(=O)c2cc(Br)c(C)cc2Br)n1 1775967684 KOJRCLSUTDPQPT-UHFFFAOYSA-N 408.115 3.570 0 50 HHAA O=C(Nc1ccc(F)c(F)c1)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2100541257 XZMRKOGCTGQNJA-OAQYLSRUSA-N 400.429 3.549 0 50 HHAA O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1cccnc1 878927 MPYBSKWNQCFXBJ-UHFFFAOYSA-N 401.875 3.569 0 50 HHAA Cc1cc(Br)c2c(c1)[C@](O)(CC(=O)c1ccc(Cl)s1)C(=O)N2 1074329 FZDJRQXYVRKTKC-OAHLLOKOSA-N 400.681 3.885 0 50 HHAA COc1ccc(C)cc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 1112502 YUIUDAHQDKAPBD-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 2853937 GRJDEMZISHGUPZ-UHFFFAOYSA-N 416.543 3.886 0 50 HHAA Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C(=O)O)(c5ccccc54)[C@@H]3C2=O)cc1 3635183 LDDJBMPSZLFYJZ-YPHDTHBOSA-N 409.441 3.630 0 50 HHAA CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)cc1 6399738 HGKZCYLRVQHWOZ-UHFFFAOYSA-N 406.935 3.670 0 50 HHAA COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Cc2cc(=O)oc3cc(C)ccc23)C1 11814427 KLBLFTRQLPSGNB-QGZVFWFLSA-N 419.477 3.774 0 50 HHAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)c1ccccc1 11873230 NJLGVOTYHPRQJT-HSZRJFAPSA-N 420.513 3.752 0 50 HHAA COc1ccc(CNCC[C@H]2CCC(=O)N2CC2(c3ccccc3)CCOCC2)cc1 12218056 NRARCKVEBDQYNZ-HSZRJFAPSA-N 422.569 3.914 0 50 HHAA COc1cc(-c2n[nH]cc2CN2CCCC[C@H]2c2nccn2C)cc(OC)c1OC 12317727 JGSGHOOJNRUFRF-KRWDZBQOSA-N 411.506 3.563 0 50 HHAA COCc1ccc(C(=O)N2CCC[C@@H]3CN(C(=O)CCCc4ccccc4)CC[C@@H]32)o1 12573084 DMNFXXALWRQFMX-IRLDBZIGSA-N 424.541 3.902 0 50 HHAA Cc1ccn(CC(=O)N2CCC([C@H]3CCN(Cc4ccc(Cl)cc4)C3)CC2)n1 12596144 NYFSLSZYUSUTSE-FQEVSTJZSA-N 400.954 3.606 0 50 HHAA COc1cccc(CCNCc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)c1 19865644 OEKAKDXKPSRRGB-UHFFFAOYSA-N 417.484 3.925 0 50 HHAA Cc1cc(C)n(-c2ccc(F)cc2CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)n1 22932694 VSPBXXAVMJANBD-DEOSSOPVSA-N 422.548 3.697 0 50 HHAA CC(=O)N[C@@H](C)CC(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(OC(C)C)c12 72410794 BYQSZLZBHJSKDX-AWEZNQCLSA-N 412.465 3.805 0 50 HHAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)c3ccc(=O)n(C)n3)cc(Cl)cc12 77505737 SSFXVXFWOPNFAA-UHFFFAOYSA-N 406.873 3.820 0 50 HHAA CN(C)S(=O)(=O)c1cc(Cl)ccc1OC(=O)c1scnc1C1CCCC1 225494208 VALXAWDOKJQUGI-UHFFFAOYSA-N 414.936 3.924 0 50 HHAA O=C(OCc1cccnc1N1CCCC1)c1csc(-c2ccc3c(c2)OCCO3)n1 328596752 YNUMGHGEDVGVHT-UHFFFAOYSA-N 423.494 3.934 0 50 HHAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 490999251 FZDRUMFSDRRCKZ-AWEZNQCLSA-N 411.531 3.739 0 50 HHAA CCCC[C@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1cccnc1 670456877 XMTBXQCVSGXGFJ-HNNXBMFYSA-N 401.816 3.963 0 50 HHAA CC(C)CN1CCN(C(=O)c2ccc(OCc3ccccc3F)cc2)C[C@@H]1CCO 952972136 DBSNRGRTEXOJOJ-NRFANRHFSA-N 414.521 3.570 0 50 HHAA C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccnn1-c1ccccn1 1273687606 AQOIHBGZBSBJDE-LBPRGKRZSA-N 403.255 3.986 0 50 HHAA COCCN1C[C@]2(CCCN(C3CCN(c4cccc(C)c4C)CC3)C2)CCC1=O 1506396424 STZAJJMEFMPXEU-RUZDIDTESA-N 413.606 3.623 0 50 HHAA CC[C@]1(C(=O)NCc2ccc(F)c(C)c2)C[C@H]2CC[C@@H]1N2C(=O)Cc1cccnc1 1704325121 FHAROQXVEOMACV-IZIIKQMZSA-N 409.505 3.548 0 50 HHAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)N1CCC3(CCCO3)CC1)C2 1772812734 PNMMOSZWHHESPG-HNNXBMFYSA-N 401.532 3.691 0 50 HHAA COc1cc(Cc2noc(C=Cc3ccccc3Cl)n2)ccc1S(C)(=O)=O 1857529965 SUDNLEKOHQMJIV-UHFFFAOYSA-N 404.875 3.896 0 50 HHAA COc1ccc([C@@H]2C[C@H]2C(=O)N2CCC3(CCN(C(=O)C4CCC4)CC3)CC2)cc1 1875334612 WXYHLVJCFVGPKE-FCHUYYIVSA-N 410.558 3.830 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1875371372 YHXAZWJTLQQMBQ-MSOLQXFVSA-N 404.388 3.778 0 50 HHAA COc1ccc(CCNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1Br 2325822890 UYEWZOLAVKCXEW-UHFFFAOYSA-N 418.266 3.959 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC1)OCC2 2356165336 CTQWVWXDNNEOIZ-UHFFFAOYSA-N 411.473 3.888 0 50 HHAA CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc(C(C)=O)c1C 705049 ALSNXLJKCIPARJ-UHFFFAOYSA-N 421.471 3.714 0 50 HHAA COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 1158390 NHYQNBGVSAEODI-UHFFFAOYSA-N 400.862 3.618 0 50 HHAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(C(C)=O)c1 1172490 WNDZRDADFRVKQH-UHFFFAOYSA-N 407.289 3.787 0 50 HHAA COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(C)cc4)cc3C2=O)cc1 1188142 KLVXXCKIPDRPOY-UHFFFAOYSA-N 414.417 3.835 0 50 HHAA O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCCc1ccncc1 11668048 CASJUVZXYJOQPB-UHFFFAOYSA-N 410.905 3.880 0 50 HHAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 12381268 MGIDICPUMKJXLX-UHFFFAOYSA-N 421.541 3.840 0 50 HHAA COc1ccc(-c2cnnc(NCc3c[nH]nc3-c3ccc(F)cc3)n2)cc1OC 12433306 JHHSQNRTMLVWRR-UHFFFAOYSA-N 406.421 3.697 0 50 HHAA COc1ccc(OC)c(NC(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1 15078288 BRGUUDSBTGIUNT-FQEVSTJZSA-N 424.545 3.522 0 50 HHAA COc1cc(CN2CCC(C(=O)NC3CCCCCC3)CC2)cc(OC)c1OC 15855950 DDWNYVHBPWPXGL-UHFFFAOYSA-N 404.551 3.763 0 50 HHAA C[C@@H](CNC(=O)/C=C/c1ccccc1Cl)Oc1cccc(CN2CCOCC2)c1 19742211 QGYUCNIYTRHFIT-BBVFFXRHSA-N 414.933 3.769 0 50 HHAA CCOc1cccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)oc12 20189961 ZBCITZYSHURFLJ-JXMROGBWSA-N 418.493 3.663 0 50 HHAA CN(c1ccccc1)c1ccc(CN2CCc3nnc([C@H]4CCCO4)n3CC2)cc1 20906383 UYVDKTJVAJMTOE-JOCHJYFZSA-N 403.530 3.956 0 50 HHAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1nnc(C2CCCCC2)s1 44891750 QNTPTVXPNSQTEC-UHFFFAOYSA-N 413.478 3.587 0 50 HHAA COc1cccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccccc3Cl)C4)no2)c1 169769202 MMAYWBAEFZNUSH-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA COC(=O)C[C@H](c1cc(Cl)c2c(c1)OCO2)c1c(O)c2ccccc2oc1=O 217829411 RGTOSLBSCPJQAN-GFCCVEGCSA-N 402.786 3.576 0 50 HHAA biogenic COCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](COCc2ccccc2)C1 241774153 RNMKFKJLIGWHNB-HXUWFJFHSA-N 412.559 3.620 0 50 HHAA CN1[C@H](c2ccccc2F)[C@H](CNCc2ccc(OC(F)(F)F)cc2)C[C@@H]1CO 248001881 AVLCSKQZYFISMF-YRNRMSPPSA-N 412.427 3.868 0 50 HHAA Cc1ccc(-c2nn3c([C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C(=O)O)nc4ccccc4c3nc2=O)cc1 248063715 DWUYFBGGHLGZBM-XAMWDVODSA-N 424.460 3.603 0 50 HHAA c1ccc([C@H](CNc2cc(N3CCOCC3)ncn2)N2CCc3sccc3C2)cc1 302797249 QTLCEFBMQKVZAD-FQEVSTJZSA-N 421.570 3.586 0 50 HHAA NC(=O)[C@@H](CNC(=O)CCCc1cc(Cl)sc1Cl)Cc1ccc(F)cc1 446004953 XERFZWGYHYTBIZ-CYBMUJFWSA-N 417.333 3.977 0 50 HHAA O=C(NCc1noc([C@H]2CCCO2)n1)c1ccccc1-c1nc(-c2ccccc2)no1 952981264 VHZGFQRKPWZROO-QGZVFWFLSA-N 417.425 3.568 0 50 HHAA Cc1[nH]c2ccc(C(=O)N3CCC[C@@]4(CCc5cnc(N(C)C)nc54)C3)cc2c1C 1704343326 WGGIZKSLGPIDEW-XMMPIXPASA-N 403.530 3.761 0 50 HHAA Cn1[nH]c(=NC(=O)Cc2cccc(OCC(F)(F)F)c2)cc1-c1ccc(F)cc1 1875318470 RGBWPHZLYMBRJK-UHFFFAOYSA-N 407.367 3.770 0 50 HHAA Cc1cn(Cc2ccccc2)[nH]c1=NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 1875336826 NPAQJUUMKFCHAI-FQEVSTJZSA-N 410.905 3.921 0 50 HHAA CC(=O)Oc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1OC(C)=O 624159 GBHACNVPYUOKDP-UHFFFAOYSA-N 418.405 3.805 0 50 HHAA O=C(Nc1ccc(I)cc1Cl)c1ccc2c(c1)OCCO2 1218747 KCTIAXZVRRKIIW-UHFFFAOYSA-N 415.614 3.968 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3ccc(CN4CCCC4)cc3)CC1)OCC2 2356148046 DZCRJNUBYJYDNW-UHFFFAOYSA-N 420.553 3.995 0 50 HHAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)c(C)c1 4756665 JAVIZQRATKEUJX-INIZCTEOSA-N 422.934 3.666 0 50 HHAA CCN(CC)c1ccc2cc(C(=O)NC(C)=O)/c(=N/c3ccccc3OC)oc2c1 999705 FRSFPAQGPMFEKI-BZZOAKBMSA-N 407.470 3.796 0 50 HHAA CC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 101227417 BVHPVMBSUYMRAO-IDPBPBMLSA-N 403.434 3.644 0 50 HHAA Cc1ccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)s1 21040118 OFMOAEAMQIEIBF-UHFFFAOYSA-N 423.561 3.871 0 50 HHAA CN1CCN(Cc2cccc(C(=O)Nc3ccc(CCN4CCCCC4)cc3)c2)CC1 467969507 NFBPFGXPKUVHJA-UHFFFAOYSA-N 420.601 3.715 0 50 HHAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)CCC4CCCCC4)CC3)nc(C)n2)n1 65362961 UNPHIMQGNLIIGH-UHFFFAOYSA-N 410.566 3.597 0 50 HHAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1 67604028 NIUYCIYTHNTWMD-UHFFFAOYSA-N 417.916 3.530 0 50 HHAA C[C@H]1CN(C(=O)c2ccc(CNc3ncc(Br)cc3F)cc2)C[C@H](C)O1 239782534 COZACGGLORRCQK-STQMWFEESA-N 422.298 3.845 0 50 HHAA O=C(O)[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc12)N1CCC[C@@H](C(=O)O)C1 229689258 JWKPIEFNBMOAQI-IERDGZPVSA-N 408.454 3.669 0 50 HHAA COc1ccccc1-c1ncc(CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)cn1 19794924 DDXALEVLCLWZBL-QFIPXVFZSA-N 414.553 3.874 0 50 HHAA Cc1ccc(C(=O)N2CCC(NC(=O)CN3CCC(c4ccccc4)CC3)CC2)cc1 828013286 QMYIRRJYFLVXKA-UHFFFAOYSA-N 419.569 3.595 0 50 HHAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N[C@@H]3CCCN(Cc4cccs4)C3)c2n1 825148824 CREBXMZXTWKVDZ-CYBMUJFWSA-N 423.464 3.512 0 50 HHAA O=C(NC[C@H](c1ccccc1)N1CCCCCC1)C1(N2CCOCC2)CCCCC1 670467773 KIOHSYQVWKEFPU-HSZRJFAPSA-N 413.606 3.755 0 50 HHAA Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529134064 ZKVHVNXIFSODRM-DENIHFKCSA-N 413.477 3.874 0 50 HHAA O=C(CSc1ccccn1)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 11936960 OFUFAUXECDJVNZ-JOCHJYFZSA-N 417.525 3.967 0 50 HHAA CCCCn1c(CN2CCCC[C@@H]2CCc2ccccn2)cnc1S(=O)(=O)CC 12307354 HWAISZMQBGHFKU-HXUWFJFHSA-N 418.607 3.859 0 50 HHAA COc1ccc(-c2noc(CN3CCCC[C@H]3c3cccnc3)n2)c(OC)c1OC 12315125 BLPRYKFOATZMCD-KRWDZBQOSA-N 410.474 3.885 0 50 HHAA Cc1ccccc1C[C@@]1(CO)CCCN(S(=O)(=O)c2cccc3cccnc23)C1 12386309 CGAIIBILERZHFF-QHCPKHFHSA-N 410.539 3.549 0 50 HHAA Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2C)c1 16399940 DNFJNZHHRWHLLY-UHFFFAOYSA-N 409.511 3.738 0 50 HHAA O=C(c1nnn(Cc2ccccc2F)c1-c1ccncc1)N1CCc2ccccc2C1 206643702 MODVQVRCUJJTDI-UHFFFAOYSA-N 413.456 3.726 0 50 HHAA Cc1cnc(CN2CCCC(=O)N3CCCC[C@H]3CCc3cccc(c3)OCC2)cn1 1857710989 GAPYRADZLIITHP-QHCPKHFHSA-N 422.573 3.774 0 50 HHAA CC[C@@H]1CN(C(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)C[C@@]2(CCCOC2)O1 1875262352 XZJKOKNLJSQLGM-FOIQADDNSA-N 423.435 3.691 0 50 HHAA O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cncc(C(F)(F)F)n2)cc1 1875361950 JFBLTLKNLHRKID-UHFFFAOYSA-N 414.387 3.720 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)Nc2csc(-c3ccc(Br)cc3)n2)C1 1875371760 LGHSRTHXMUARGY-ZDUSSCGKSA-N 420.332 3.936 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)c1 1171958 KGFNUKHGPBVGEZ-FQEVSTJZSA-N 411.527 3.752 0 50 HHAA CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C(=O)O)cc1 5047504 DQUKVRXAZRFLKT-UHFFFAOYSA-N 413.451 3.752 0 50 HHAA O=C(O)c1cc(NS(=O)(=O)c2cnc(-c3ccc(F)cc3)s2)c(F)cc1F 2325876239 OBEFUDWPKHLXLX-UHFFFAOYSA-N 414.386 3.726 0 50 HHAA CC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 1119042 MCECLQXBQKTLDV-UHFFFAOYSA-N 402.516 3.537 0 50 HHAA Fc1ccc(CNC(=S)Nc2ncn(Cc3cccc(C(F)(F)F)c3)n2)cc1 2858485 FFHZUDYZDXWJTG-UHFFFAOYSA-N 409.412 3.971 0 50 HHAA CCCS(=O)(=O)C(=C(Nc1ccccc1)Nc1ccccc1)S(=O)(=O)CCC 3878250 OXLRKEPVJHLKJX-UHFFFAOYSA-N 422.572 3.987 0 50 HHAA CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 4820633 JYCPSHLLSGGTMH-FQEVSTJZSA-N 412.511 3.800 0 50 HHAA CCCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 4910344 KGGXZVXBJRQWOX-INIZCTEOSA-N 415.486 3.836 0 50 HHAA CCCCc1nc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c[nH]1 12429697 XNPUIAOMOBSQDR-UHFFFAOYSA-N 420.561 3.967 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)c1 12579893 SHOXPSHQGFYRFF-FQEVSTJZSA-N 423.557 3.962 0 50 HHAA C[C@H](Sc1nnc2ccc3ccccc3n12)C(=O)c1ccc2c(c1)NC(=O)CO2 16651298 UYJCITQLJAEHSN-LBPRGKRZSA-N 404.451 3.577 0 50 HHAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCc3ccccc3C2)cc1 19375397 ZOWNJHJCACTBET-UHFFFAOYSA-N 400.478 3.904 0 50 HHAA CC(C)NC(=O)c1ccc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)s1 20455892 OXPMJMLIYBYABF-HNNXBMFYSA-N 400.500 3.521 0 50 HHAA O=C(NCCN(CC(F)F)C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H]1C[C@H]1c1ccccc1 170597670 RBPSXQOUQCSIBG-JSXRDJHFSA-N 412.480 3.804 0 50 HHAA Cc1ccc(OC(F)F)c(CNc2cccc(CC(=O)N3CCN(C)CC3)c2)c1 170680066 DKWKAZSXGHLOFE-UHFFFAOYSA-N 403.473 3.525 0 50 HHAA O=C1[C@@H]2[C@H](/C=C/c3ccccc3)N3CSC[C@@H]3[C@@H]2C(=O)N1c1ccc(Cl)cc1 221543780 UNKLTRXXWKZTPX-CESCFTRESA-N 410.926 3.916 0 50 HHAA O=C(Cn1ccc2cc(Br)ccc21)NC[C@H]1CCCN2CCCC[C@@H]12 226834481 SQCUUNGZPMCNPU-AEFFLSMTSA-N 404.352 3.785 0 50 HHAA COc1ccccc1N1CCN2c3cc(Cl)ccc3CC3(C(=O)CCCC3=O)[C@H]2C1 248127044 IFBURHNJXGCONE-OAQYLSRUSA-N 424.928 3.908 0 50 HHAA Cc1cc(-c2nn(C)c(Cl)c2CN(Cc2ccccn2)C[C@@H]2CCCO2)no1 952970387 ULPHCKMLJCCKPI-INIZCTEOSA-N 401.898 3.613 0 50 HHAA Cc1ccc2c(c1)c(=O)c(C(=O)N(CCOc1ccccc1)C[C@@H]1CCCO1)cn2C 952978963 CNODVTMUDAFUBB-FQEVSTJZSA-N 420.509 3.547 0 50 HHAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)cc1 1875255738 CHTDRBXXXAUITP-GFCCVEGCSA-N 418.906 3.593 0 50 HHAA COC(=O)[C@](C)(CC1=CCCCC1)NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819948 VWHOSFUWJYMHTI-PWAGRJGVSA-N 412.530 3.535 0 50 HHAA O=C(Cn1nc(O)c2ccccc2c1=O)N(CCCc1ccccc1)c1ccccc1 2325864741 YPPJUJCIQJUHGM-UHFFFAOYSA-N 413.477 3.768 0 50 HHAA COc1ccc(CC(=O)Nn2c(-c3ccc(Br)cc3)csc2=O)cc1 643810 HPAHDWHPYBCYRF-UHFFFAOYSA-N 419.300 3.661 0 50 HHAA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 713366 TXBRINCVVPQLTF-HNNXBMFYSA-N 418.371 3.733 0 50 HHAA CCOc1ccc(CN2CCC[C@]23CCCN(CCc2ccccc2)C3=O)cc1CO 2356148953 BLPVDOVZFPGIOF-SANMLTNESA-N 422.569 3.777 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(SC)cc2OC)cc1 2734000 VGYCVGISDAEIRR-UHFFFAOYSA-N 408.545 3.700 0 50 HHAA O=c1c2c(nc(NCCO)n1Cc1ccccc1)-c1ccccc1CC21CCCC1 4752106 CDTIDPQDTLFZKS-UHFFFAOYSA-N 401.510 3.731 0 50 HHAA COC(=O)c1ccc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc1 6667494 JYFCYZQTEQBQNG-UHFFFAOYSA-N 404.304 3.719 0 50 HHAA Cc1cccc(-c2nnc(S)n2CCC(=O)Nc2nccn2-c2ccccc2)c1 225466516 SVLVOWATGPHXRD-UHFFFAOYSA-N 404.499 3.757 0 50 HHAA COc1ccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)no2)cc1OC 113929075 QPIKBLDPZIJNQR-UHFFFAOYSA-N 422.466 3.796 0 50 HHAA O=C(Nc1ccc(CO)c(Cl)c1)[C@H]1CCN(c2cccc(Br)c2)C1=O 470971191 YHISXOWCDXIHRH-OAHLLOKOSA-N 423.694 3.586 0 50 HHAA CCn1nc(C)c(NC(=O)[C@H](C)n2nc(C(F)F)c(Br)c2C)c1C 2778316 WWBYNMNPONZKBT-JTQLQIEISA-N 404.259 3.925 0 50 HHAA COc1ccc(-c2cn(CC(=O)c3cccc(Br)c3)c(=N)n2C)cc1 334157521 GDAHPHGDYRYFSS-UHFFFAOYSA-N 400.276 3.627 0 50 HHAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)cc1OC 20999161 ISELDSYKXJQDAY-GOSISDBHSA-N 420.985 3.538 0 50 HHAA Cc1cc2nc3n(c2cc1C)CCCN3C(=O)NS(=O)(=O)c1ccc(Cl)cc1 334162870 FTNSLZXFYQFGIE-UHFFFAOYSA-N 418.906 3.615 0 50 HHAA O=C(COc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1)c1ccc(F)cc1 239308993 HCULVCZZLOBHCK-PWCQDKJGSA-N 417.436 3.645 0 50 HHAA COc1cc(C(=O)N(C)Cc2ccc(C)cc2)ccc1OC1CCN(C(C)=O)CC1 12075434 KYNINXIRGXGMIY-UHFFFAOYSA-N 410.514 3.666 0 50 HHAA Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)c2cc4ccccc4o2)CC3)n1 14986834 YJLPXCFEGWOAGB-LJQANCHMSA-N 403.482 3.695 0 50 HHAA O=C(NCCC1=CCCCC1)[C@@H]1CC12CCN(C(=O)CSc1ccncc1)CC2 14998231 AKUGDMXBSVDIRE-FQEVSTJZSA-N 413.587 3.809 0 50 HHAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)[C@H]2CC=CCC2)C3)cc1 15003342 AKHAUYHMGYXMRY-HKUYNNGSSA-N 411.523 3.533 0 50 HHAA C[C@@H](NC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccc(Oc2cccnc2)cc1 1875258825 BGEJRDFJKGBRJB-IEBWSBKVSA-N 403.486 3.758 0 50 HHAA Cc1nn2c(=O)cc(COC(=O)Cc3cc4c(ccc5ccccc54)o3)nc2s1 2325702288 KJCNKJOODFPWBY-UHFFFAOYSA-N 405.435 3.645 0 50 HHAA Cc1ccccc1CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 839764 RUKIFEZBHTXVGT-UHFFFAOYSA-N 408.523 3.891 0 50 HHAA Cc1ccc(Cn2cccc(NC(=O)Cc3cccc(N4CCCC4=O)c3)c2=O)cc1 486454987 AFKPGTVRCWEGHQ-UHFFFAOYSA-N 415.493 3.513 0 50 HHAA Cc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c1Br 225542531 YMPSBAYWDCNQDN-UHFFFAOYSA-N 417.413 3.962 0 50 HHAA N[C@@H](Cc1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1)C(=O)O 958527785 AYTGPMFETMCTTC-QHCPKHFHSA-N 416.477 3.680 0 50 HHAA COC(=O)c1cccc(C(C)(C)C)c1NC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 170596296 ANHSWUPURJZQJJ-AWEZNQCLSA-N 410.470 3.523 0 50 HHAA Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)c(F)c1F 12315293 MUZCTKRIPNVCBX-QGZVFWFLSA-N 404.432 3.510 0 50 HHAA COCCn1c(CN(C)C2CCCCC2)cnc1S(=O)(=O)CC1CCCCC1 12431157 FXAXKWSWOADIBA-UHFFFAOYSA-N 411.612 3.648 0 50 HHAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc(C)nc(C)n1 12708577 XAAMRCVGJKISNR-NRFANRHFSA-N 410.562 3.519 0 50 HHAA COc1ccc(C[C@@]2(CCC(=O)N(C)[C@@H](C)c3cccs3)CCC(=O)N2)cc1 15006511 MSBNWIRHRKSIKA-AOMKIAJQSA-N 400.544 3.948 0 50 HHAA O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1nnc(O)c2ccccc12 438131819 PGYUNQIDWGZLSI-MRXNPFEDSA-N 423.473 3.549 0 50 HHAA COCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(F)cccc1N1CCCC1 239667144 BPCBOYSNHYDMLB-UHFFFAOYSA-N 414.886 3.863 0 50 HHAA Cc1nccc(Cn2c(-c3ccccc3F)cs/c2=N\c2ccc(C(N)=O)cc2)n1 1875252828 PTKONRQDNHVCIE-QYQHSDTDSA-N 419.485 3.834 0 50 HHAA O=C(Nc1cnc(-c2ccccc2)nc1)N1CCC[C@@H](Cc2nnc3ccccn23)C1 2325738146 ONXKQBMCOGEMDN-KRWDZBQOSA-N 413.485 3.673 0 50 HHAA NC[C@@H](CC(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(Br)s1 2325861147 HEJHSDWHEGZAOO-GFCCVEGCSA-N 405.321 3.972 0 50 HHAA CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc(C(=O)N(C)C)c1C 657066 UBVBBICSZFZNTQ-UHFFFAOYSA-N 408.907 3.770 0 50 HHAA O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCCC1)c1ccccc1F 715769 MRWIXRGKPDWRDG-QGOAFFKASA-N 417.278 3.982 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2)c(OC)c1 1165803 NPPJZFOIUKBNFO-SFHVURJKSA-N 417.918 3.789 0 50 HHAA O=C1C[C@@H]([C@@H]2CCCC=C2N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 5015825 KOJFHACVEAYTSQ-IRXDYDNUSA-N 408.420 3.601 0 50 HHAA Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCCn2ccnc2)cc1 5044823 KFXXZJNEZHXQEF-QNGOZBTKSA-N 422.916 3.822 0 50 HHAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cc(COc2ccc(F)cc2F)on1 11664767 NLDSWOKXSZEOLV-GOSISDBHSA-N 404.417 3.573 0 50 HHAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cn(Cc2ccccc2Cl)nn1 11818876 SVWSPRCQGXZVBH-SFHVURJKSA-N 412.925 3.570 0 50 HHAA Cc1ccc(OCc2cc(C(=O)N3CCCC[C@@H]3CCc3ccccn3)no2)cn1 11937447 FUXUCHSNIGXZDV-LJQANCHMSA-N 406.486 3.980 0 50 HHAA Cc1nn(C)c(Cl)c1CN1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 12024624 GYFHNYOPLYJYQB-INIZCTEOSA-N 406.933 3.830 0 50 HHAA Cc1c(C(=O)NCc2c(F)cccc2F)sc2ncnc(NC[C@H]3CCCO3)c12 12079587 QFOCYLSDKXPGSU-GFCCVEGCSA-N 418.469 3.799 0 50 HHAA Cc1c(C(=O)NCc2ccccc2F)sc2ncnc(NC[C@H]3CCCO3)c12 12132028 WFHIKVYBGSUKRL-CQSZACIVSA-N 400.479 3.660 0 50 HHAA CC(=O)Nc1cccc(C(=O)N2CC[C@@]3(CCCN(CCc4ccccc4)C3)C2)c1 12431989 AQTPMDKUARGKSZ-RUZDIDTESA-N 405.542 3.816 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc(Br)c3)CC2)c(OC)c1 19832104 SFSFUHKAWJADGD-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA CCS(=O)(=O)c1ncc(CN2CCc3ccccc3C2)n1CCCc1ccccc1 23145968 YHVZLYWDAOXLKK-UHFFFAOYSA-N 423.582 3.868 0 50 HHAA CCOC(=O)[C@H]1CCCN([C@@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 39447898 NTEWOQKWKJCVRE-XZOQPEGZSA-N 408.542 3.996 0 50 HHAA CCc1ccccc1NC(=O)c1ccccc1NC(=O)CC[C@@H](C)N1CCOCC1 55393097 VRENBMDELWWYPI-GOSISDBHSA-N 409.530 3.941 0 50 HHAA CCOc1ccccc1-c1nc(CN(Cc2cccnc2)C[C@@H]2CCC(=O)N2)c(C)o1 55568917 HUWZLQQPKXLGCK-IBGZPJMESA-N 420.513 3.725 0 50 HHAA O=C(NCCO)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 64539753 IIQUYGWWHIHOCF-UHFFFAOYSA-N 418.375 3.508 0 50 HHAA in-vitro CCc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)[nH]1 95530512 NUBQSFZRTLQNMY-OAHLLOKOSA-N 403.473 3.804 0 50 HHAA COc1ccc(CN2CCN(Cc3nc4ccccc4s3)C[C@@H]2CCO)c(F)c1 97402593 CDIVYHKVKBMCAA-KRWDZBQOSA-N 415.534 3.513 0 50 HHAA CCCCOC(=O)c1ccc(NC(=O)c2c(OCC)cc(=O)n3c2CCCC3)cc1 169752960 JLUPVEXUJBGMFR-UHFFFAOYSA-N 412.486 3.793 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccc(C)c(F)c5)n4)c3CO2)cc1 169770864 SYPBAUWACQFPFB-SFHVURJKSA-N 407.405 3.723 0 50 HHAA Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccc(Cl)cc1F)CCCCC3 169777274 YLGZAQZGVFIEPH-UHFFFAOYSA-N 402.857 3.664 0 50 HHAA CC(C)c1noc(-c2cn([C@H]3CCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)nn2)n1 169778155 PEYWPRQLMVLQCC-KRWDZBQOSA-N 408.506 3.836 0 50 HHAA CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(F)c(Br)cc2Cl)C1 225419924 SLEZZLAENLCACI-SNVBAGLBSA-N 415.694 3.873 0 50 HHAA O=C(NCc1nc2ccccc2s1)c1cc2cc(C3(O)CCNCC3)ccc2o1 828146895 PAFMNWXDGFQIBU-UHFFFAOYSA-N 407.495 3.544 0 50 HHAA O=S(=O)(CCNC(=S)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1 918727832 NOAZVMYBSNYZMR-UHFFFAOYSA-N 402.463 3.607 0 50 HHAA CC(C)CN1CCN(C(=O)c2ccc(OCc3ccccc3F)cc2)C[C@H]1CCO 952972138 DBSNRGRTEXOJOJ-OAQYLSRUSA-N 414.521 3.570 0 50 HHAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N(Cc3c(C)nn(C)c3C)C(C)C)c2)o1 952983809 QWSWFAMLNOLTPA-UHFFFAOYSA-N 416.547 3.908 0 50 HHAA O=C(c1ccccn1)[C@H]1CCCN(Cc2cc3ccccc3nc2N2CCOCC2)C1 952991034 OEOSGDDFYGVWQE-FQEVSTJZSA-N 416.525 3.561 0 50 HHAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1cccc(NS(C)(=O)=O)c1 1875253160 DPFNLKWUSIRQAA-GFCCVEGCSA-N 418.906 3.593 0 50 HHAA Cc1cc(Oc2ccc(NC(=O)Cc3ccnc(O)c3Br)cc2)ncn1 1875263068 XLCPRQDRJXXHNP-UHFFFAOYSA-N 415.247 3.622 0 50 HHAA CCOc1ccc([C@@H]2CCCN2C(=O)C[S@](=O)Cc2nc3ccccc3[nH]2)cc1 1875320281 NZUSILLTURWINA-AFJIDDCJSA-N 411.527 3.574 0 50 HHAA C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)CC[C@@H]1O 1875328583 ZVJXGQJTSPCUIG-UDZUZDSLSA-N 420.553 3.842 0 50 HHAA O=C(Cn1cc(COc2ccc(Cl)cc2)nn1)NCc1ccc(C(F)(F)F)cc1 1875330170 QVWBCIBSOXHVMH-UHFFFAOYSA-N 424.810 3.846 0 50 HHAA C[C@H]1N(C(=O)c2ccc(N3CCCC3)c(Cl)c2)CCC[C@@]12CCCN(C)C2=O 1940197426 PPAMLHFOQVMTHK-ZHRRBRCNSA-N 403.954 3.803 0 50 HHAA O=C(Cc1c(-c2ccccc2)oc2cc3c(cc12)OCO3)N[C@@H]1CN2CCC1CC2 2049252036 AVQKDIDGLRFPIE-LJQANCHMSA-N 404.466 3.581 0 50 HHAA CC(C)(C)NS(=O)(=O)c1cccc(-c2nc(Cc3ccc(F)cc3F)no2)c1 2325736135 PISQCTJMYPDRIJ-UHFFFAOYSA-N 407.442 3.682 0 50 HHAA Cc1cc(C)cc([C@@H](NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)C(=O)O)c1 2325877426 QUUXUQFOTQLHRY-GOSISDBHSA-N 416.840 3.541 0 50 HHAA COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 885002 HHRIAKHOQXAAOX-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 1076847 YHRKIHTXFQMNNT-UHFFFAOYSA-N 400.422 3.663 0 50 HHAA CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 1133422 FXAGELXMLXJQFO-UHFFFAOYSA-N 424.522 3.859 0 50 HHAA C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1 1147051 OZKBKTTYBZBWDR-QGZVFWFLSA-N 416.543 3.554 0 50 HHAA CC(=O)Oc1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)NC4=O)c2)c1 2850340 BXURWVKULWYMRR-UHFFFAOYSA-N 416.389 3.540 0 50 HHAA CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)n1 2905701 CGMRFCOGDOKCPZ-UHFFFAOYSA-N 418.327 3.682 0 50 HHAA Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCCn2cccn2)cc1C 3617469 HUPUSFMEEWGOSV-HMMYKYKNSA-N 408.527 3.539 0 50 HHAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NC[C@@H](C)c2ccccc2)c1 11661625 GYLCHLNKDUNFFI-QGZVFWFLSA-N 410.514 3.618 0 50 HHAA CN(C)CCNC(=O)c1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1 11874374 CTHQXKUEETWTCJ-UHFFFAOYSA-N 415.965 3.675 0 50 HHAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 11944328 UKELSBLQMIQFQW-LJQANCHMSA-N 408.473 3.536 0 50 HHAA COC[C@@H]1CCN(C(=O)c2ccc(OC3CCN(C4CCCC4)CC3)c(OC)c2)C1 12204781 OEIUPZSVJZNHDV-GOSISDBHSA-N 416.562 3.590 0 50 HHAA COc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cc1 14956774 FOMPIYRXAGQVCI-QFIPXVFZSA-N 408.542 3.824 0 50 HHAA Cc1cc2cc(C(=O)N3CCC(N4CCC(C(=O)NC(C)C)CC4)CC3)ccc2o1 15065791 QWJJONFEYUHEBP-UHFFFAOYSA-N 411.546 3.582 0 50 HHAA CC(C)n1cc(C(=O)N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)cn1 15067023 VEFIKRMBCGSEMH-UHFFFAOYSA-N 409.452 3.940 0 50 HHAA CC[C@@H](C(=O)NCc1nn(C)c(Cl)c1Cl)n1nc(C(F)(F)F)c2c1CCC2 20607610 HBQQKEJATVZLIK-JTQLQIEISA-N 424.254 3.698 0 50 HHAA COc1ccc(-c2nc(CN3CCN(Cc4ncccc4C)CC3)c(C)o2)cc1C 20777975 IGWLFNOZZWSOEN-UHFFFAOYSA-N 406.530 3.988 0 50 HHAA O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32106514 ILIWDLJGCXQOPF-LLVKDONJSA-N 424.814 3.652 0 50 HHAA COc1ccc(C(=O)N(CCN2CCCCC2)C[C@H]2CCCN(C3CCCC3)C2)o1 39510193 SVGRRZDGKVYINZ-FQEVSTJZSA-N 417.594 3.871 0 50 HHAA CCc1ccccc1NC(=O)N1CCN(c2cc(C)nc(N3CCCCC3)n2)CC1 65362386 MWIHHDZVKPOSAM-UHFFFAOYSA-N 408.550 3.692 0 50 HHAA CCn1cnnc1CN1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 95525905 QBBBWHFBQFLLQE-LJQANCHMSA-N 403.530 3.607 0 50 HHAA CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cc(C(=O)OCC)ccc1C 225617726 GHXWNZZNXWXXLX-UHFFFAOYSA-N 419.499 3.865 0 50 HHAA Cc1cccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)CC2)c1 239338804 LGRAPDBAHASXHP-SZWXDXEVSA-N 404.510 3.545 0 50 HHAA Cc1cc(NC[C@H](NCc2ccccc2)C(F)(F)F)n2nc(C(F)(F)F)nc2n1 239351926 AAOOPTOPCKRNDW-LBPRGKRZSA-N 418.345 3.584 0 50 HHAA CCOC(=O)c1cccc(NC(=O)c2nc(C)n(-c3ccc(OC(F)F)cc3)n2)c1 261490610 OLLLGYSJCWYDIW-UHFFFAOYSA-N 416.384 3.606 0 50 HHAA CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cn[nH]c2)CC1 299782049 VDNDPMKCIDWORC-NRFANRHFSA-N 422.554 3.707 0 50 HHAA Cc1ccc(C2(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)CCOCC2)cc1 427342811 RXTRLIQKMGTEKO-HXUWFJFHSA-N 412.917 3.618 0 50 HHAA CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 433962013 LQHXEWYZWRTBCO-FCHUYYIVSA-N 424.497 3.937 0 50 HHAA COc1cc2nc(N3C[C@H](C(C)C)O[C@H](c4ccccc4)C3)[nH]c(=N)c2cc1OC 1875243930 DRSKJJMGESDGIX-RTWAWAEBSA-N 408.502 3.662 0 50 HHAA Nc1ncnc2sc3c(c12)CCN(C(=O)c1cccc(Oc2ccncc2)c1)C3 2325839880 HUTALELXQVQODM-UHFFFAOYSA-N 403.467 3.659 0 50 HHAA COc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc(OC)c1OC 645844 QWRKJDKSNXUZOY-UHFFFAOYSA-N 420.465 3.895 0 50 HHAA biogenic,in-vitro O=C(Nc1ccccc1NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 657178 OLDJIZTUCUGOME-UHFFFAOYSA-N 404.378 3.649 0 50 HHAA COc1cc(CN2C(=S)NC3(CCCCC3)[C@@H]3CCCC[C@@]32O)cc(OC)c1 783525 SZBFRSOCGUPPTM-SIKLNZKXSA-N 404.576 3.976 0 50 HHAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)c(OC)c1 1184188 RMNKMAIUSJNXOH-HXUWFJFHSA-N 411.527 3.752 0 50 HHAA CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OCC)cc3)CC2=O)cc1 4673198 UJNQBMMXWWJWBR-KRWDZBQOSA-N 410.470 3.644 0 50 HHAA C[C@H]1CN(C(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)c2ccccc2O1 6841989 RKWHVPIRQXGNGD-IBGZPJMESA-N 421.541 3.855 0 50 HHAA COc1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C 8297996 YARODLOPTFRNRO-UHFFFAOYSA-N 411.512 3.831 0 50 HHAA COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1 10013424 UPKYSRTXGNMKOU-UHFFFAOYSA-N 420.421 3.907 0 50 HHAA CCn1ccnc1CN(C)Cc1ccccc1OC[C@H](O)CN(C)C1CCCCC1 12306029 URQKIXHKDYHYHK-JOCHJYFZSA-N 414.594 3.539 0 50 HHAA CCCCn1c(CN(C)Cc2csc(C)n2)cnc1S(=O)(=O)CC1CCC1 12316846 SJBRTKNXUMBYMP-UHFFFAOYSA-N 410.609 3.654 0 50 HHAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cc1csc(C)n1 12704263 PWDDMMDAUVYIOL-IBGZPJMESA-N 403.567 3.936 0 50 HHAA CC(C)C(=O)N[C@H](NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl 13482485 VNSZCCNYBOWQMW-CQSZACIVSA-N 419.765 3.990 0 50 HHAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCN2CCCCC2=O)cc1 15075018 QYLCKYOWCGQNRG-HXUWFJFHSA-N 408.546 3.713 0 50 HHAA CCCCOc1ccc(-c2nc3s/c(=C/c4ccc(OC)cc4)c(=O)n3n2)cc1 16804863 YWAYWRPSRUBZLQ-XMHGGMMESA-N 407.495 3.553 0 50 HHAA COC(=O)c1ccc(-c2noc(CN(C)Cc3cnn(-c4ccccc4C)c3)n2)cc1 19608601 ATIQSIPBZXZLEB-UHFFFAOYSA-N 417.469 3.649 0 50 HHAA CCCO[C@H]1CCCN(Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)C1 55182569 GYLHHQNXFHSQAH-NRFANRHFSA-N 420.557 3.998 0 50 HHAA O=C(c1cccnc1)N1CCC(Oc2ccc(C(=O)N3C[C@H]4CCC[C@@H]3C4)cc2)CC1 60058646 IMFLGAOPBDVRLJ-GHTZIAJQSA-N 419.525 3.780 0 50 HHAA COc1ccc(CN2CCN(Cc3nc(-c4ccccc4F)oc3C)CC2=O)cc1 67473031 IBAJMRISTYGDEX-UHFFFAOYSA-N 409.461 3.642 0 50 HHAA COC(=O)c1cccnc1N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1 67697299 MAQNTOHYQQVZCD-UHFFFAOYSA-N 408.420 3.709 0 50 HHAA CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)CC1 212504707 IZDINJZJGVNKAW-VNXZQDSDSA-N 407.558 3.888 0 50 HHAA COc1cccnc1CC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(C)s1 225809371 WYLUGMGPQRUWKD-UHFFFAOYSA-N 408.483 3.588 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(C(=O)[C@H]2C[C@@H]3CCCCN3C2)C1 952894640 SPOYUDULDICBRL-UWJYYQICSA-N 410.537 3.797 0 50 HHAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCc1nc(-c2ccccc2F)no1 952973819 VHWMNFRXKRNOQM-UHFFFAOYSA-N 422.460 3.991 0 50 HHAA Cc1cccc(-c2nc(S(=O)(=O)Nc3cnn(Cc4ccncc4)c3)cs2)c1 1875256961 WHGLQDRVQJZFNA-UHFFFAOYSA-N 411.512 3.559 0 50 HHAA Cc1cc(C(=O)N2CCC[C@H]2c2nc(Cc3ccc(F)cc3)no2)c2n[nH]cc2c1 1875257492 JTAFSIYURSMPPJ-SFHVURJKSA-N 405.433 3.962 0 50 HHAA COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c1 799791 HLOPRHTZBRLBOE-GOSISDBHSA-N 417.918 3.789 0 50 HHAA Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2C)c1 1078977 RXCTTWKOSCYCJZ-UHFFFAOYSA-N 409.511 3.738 0 50 HHAA CC(=O)c1ccc(N2CCN(C(=S)Nc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 1121816 IAGKXGBNUAOMEJ-UHFFFAOYSA-N 421.522 3.823 0 50 HHAA COc1cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc(OC)c1OC 1199634 QNTWCRLAYIZKAG-SFHVURJKSA-N 412.471 3.789 0 50 HHAA COc1ccc(N([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1 2859218 UFYXWSJOUGABLW-INIZCTEOSA-N 404.532 3.920 0 50 HHAA O=C(C1CCN(CCCc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1 4550088 LDUZCKBLKQDWKT-UHFFFAOYSA-N 409.549 3.819 0 50 HHAA CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)NC1=S 4754400 QHJHIOXASNIDQF-GDNBJRDFSA-N 403.301 3.716 0 50 HHAA COc1ccc(CC[C@H](C)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O 225424870 KOLIAGFBCDOCRP-SCLBCKFNSA-N 406.885 3.910 0 50 HHAA CC(C)c1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1 20455623 FUUUYBQSYFZMFU-UHFFFAOYSA-N 421.520 3.529 0 50 HHAA CCOC(=O)C1(CCc2ccccc2)CCN(Cc2cnc(N(C)C)s2)CC1 55119644 GSAAGSUVRWCSLI-UHFFFAOYSA-N 401.576 3.987 0 50 HHAA CC1CCN([C@H](CNC(=O)c2cn(Cc3cccs3)nn2)c2ccccc2)CC1 463192777 TUCRPKTVAIHHRP-OAQYLSRUSA-N 409.559 3.591 0 50 HHAA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)N1CCN(c3ccccc3Cl)CC1)[C@H]2C(=O)O 101935253 RZZMIAUVCBPSGP-IPZZXCBHSA-N 402.922 3.682 0 50 HHAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 101701413 QJLPNUKLNVJJCT-FTRWYGJKSA-N 418.946 3.840 0 50 HHAA Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccccc3SCC(N)=O)[nH]c2c1 139426529 TUBLHYXDXIMVAG-KRWDZBQOSA-N 409.515 3.818 0 50 HHAA C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)[C@H](O)c1c(F)cccc1Cl 252477390 MYUAXTCHWOSPDV-SIFORAMQSA-N 404.869 3.608 0 50 HHAA COc1cc(OC)c([C@@H]2CC(=O)Oc3ccc4c(=O)c(Cl)coc4c32)cc1OC 217930873 QLJAVQQBCKIGPW-LBPRGKRZSA-N 416.813 3.913 0 50 HHAA biogenic COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC1CCN(C(C)=O)CC1 76929841 HPMHPKQYLWEBHN-HNNXBMFYSA-N 414.477 3.715 0 50 HHAA Cc1nnc(CN(C)C(=O)Cc2c3c(n(CC(C)C)c2C)CC(C)(C)CC3=O)o1 39509058 JVJNHSRGFDAOND-UHFFFAOYSA-N 400.523 3.500 0 50 HHAA Cc1nc(CCC(=O)N2CC[C@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)n[nH]1 426518328 NGAFXTWLHXTFEP-DEOSSOPVSA-N 409.578 3.684 0 50 HHAA CC(C)COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 239235802 WTBODSOUBRHGAW-QILISPFLSA-N 417.505 3.757 0 50 HHAA CC(C)n1ccc2c(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)cccc21 252537809 MKEIUTURJGHPGX-KPFFTGBYSA-N 400.548 3.887 0 50 HHAA CN(Cc1cc(-c2cccnc2)no1)Cc1cc2ccccc2nc1N1CCOCC1 952962676 GSHOOOCIVZWOBG-UHFFFAOYSA-N 415.497 3.753 0 50 HHAA O=C(c1cccs1)N1C[C@@H]2CN(Cc3cnc[nH]3)C[C@@]2(CCc2ccccc2)C1 1772813598 JGDNJRHHSAZDJU-CVDCTZTESA-N 406.555 3.678 0 50 HHAA Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)c2c(C)nc3ncccn23)C1 11664665 IUQOIEHCWAZEHP-KRWDZBQOSA-N 423.492 3.756 0 50 HHAA CN(Cc1ccc2ccccc2n1)C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 11937402 AFPUAHZUAJLIES-UHFFFAOYSA-N 409.852 3.939 0 50 HHAA COc1ccc(/C=C/C(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4cnccn4)c3O2)cc1 11972978 GNRKZALUAJHDBL-QTWIXLPOSA-N 421.884 3.939 0 50 HHAA C[C@@H](OC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)c1ccccc1 17986856 YJYHXTHZKFWVIC-NXHRZFHOSA-N 403.434 3.570 0 50 HHAA COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 19958356 CSEBTKHCYMBCII-MRXNPFEDSA-N 411.329 3.564 0 50 HHAA O=c1cc(C(F)(F)F)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1 19991945 XNJCBZYOBFNUCU-UHFFFAOYSA-N 414.431 3.700 0 50 HHAA COc1cccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1OC 169780774 FMJXUJXISDCSNA-QGZVFWFLSA-N 424.476 3.632 0 50 HHAA CC1(C)CCC[C@](C)(CNC(=O)c2ccc(NCc3nnc4n3CCCC4)nc2)C1 1875356517 PDEVFCKHLHMRCK-QHCPKHFHSA-N 410.566 3.958 0 50 HHAA CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)OCC)C2 1081020 IKOGWMHZPQSXBQ-UHFFFAOYSA-N 402.472 3.692 0 50 HHAA COc1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1 889072 HCTDIMQKCNCOQT-UHFFFAOYSA-N 420.506 3.796 0 50 HHAA O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccc(-n2cccc2)c1 1118518 XAGOJHXKVHUFEK-HXUWFJFHSA-N 411.255 3.653 0 50 HHAA Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1Cl 1180127 VKVMEMVGXBFPQR-UHFFFAOYSA-N 403.229 3.614 0 50 HHAA Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 20102250 HIAVMHRHRWHXQM-GOSISDBHSA-N 417.488 3.558 0 50 HHAA Cc1cccc(CN[C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(CC(C)C)C2)c1 23339563 JOGXDLSUSBPOPW-VWNXMTODSA-N 411.565 3.682 0 50 HHAA CC(=O)N1CCCc2cc(N[C@H](C(N)=O)c3ccc(Br)cc3F)ccc21 439577771 WGGAVEWZVSMKNJ-SFHVURJKSA-N 420.282 3.526 0 50 HHAA O=C(O)c1cc2c(Cl)c(C(F)(F)F)cnc2n1S(=O)(=O)c1ccccc1 66054384 RPQKKSQKWREHLG-UHFFFAOYSA-N 404.753 3.644 0 50 HHAA in-vitro Cc1cccc(CN2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NCCN(C)C)c1 11788831 XWBOYVNADMASHB-VXKWHMMOSA-N 415.578 3.547 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)CCN2CCCC2=O)C1 11841782 XWOQIVPUXDYFMR-FQEVSTJZSA-N 420.509 3.913 0 50 HHAA COc1cccc(CN2C[C@H](C(=O)N(C)Cc3[nH]c4ccccc4c3C)CCC2=O)c1 11873485 JJYHQQVJXMMQLY-LJQANCHMSA-N 419.525 3.882 0 50 HHAA O=C(CCC1CCN(C2CSCCSC2)CC1)Nc1ccc2c(c1)OCCO2 12203975 GGEPTXFFXIEHLK-UHFFFAOYSA-N 422.616 3.737 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(c2cc(C)nc(N)n2)C1 12205297 BWJPGUVGPKFKIA-CQSZACIVSA-N 403.914 3.665 0 50 HHAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCc2ccc(C)cc2)CC1 12713771 CWTDCSREPGFPJT-UHFFFAOYSA-N 400.906 3.968 0 50 HHAA Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 1875316352 KVCHVDBPCHRFBH-STQMWFEESA-N 421.423 3.816 0 50 HHAA Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 1875316350 KVCHVDBPCHRFBH-OLZOCXBDSA-N 421.423 3.816 0 50 HHAA O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(-c2nccs2)c1 2325749853 STTGKTZTIBHDFM-UHFFFAOYSA-N 418.522 3.901 0 50 HHAA Cc1cc(C2CCN(C(=O)C(=O)N3CCC(C)(C)[C@@H](c4ccccc4)C3)CC2)on1 2325819168 XTIFDPDHZYCLQB-HXUWFJFHSA-N 409.530 3.731 0 50 HHAA CSc1ccc(Cl)c(C[C@H](NC(=O)C23CC4C[C@@H](C2)C(=O)[C@@H](C4)C3)C(=O)O)c1 2325839432 SYNCIUGUHZDUSM-DHCBDPLDSA-N 421.946 3.569 0 50 HHAA CC(C)NC(=O)COc1cccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1 209122654 FPCFPYVJHFWALM-UHFFFAOYSA-N 402.458 3.667 0 50 HHAA CCN(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1063462 RKZSWLJCOSHPLD-UHFFFAOYSA-N 401.315 3.951 0 50 HHAA COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 1066174 NTAJEMVYPSOJOR-UHFFFAOYSA-N 414.417 3.522 0 50 HHAA COc1ccccc1CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1174179 YKOGWADHUPKBDR-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA COC(=O)c1ccc(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 2231385 SGXIMZVAIXEJSH-UHFFFAOYSA-N 403.935 3.954 0 50 HHAA Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccccc1F 2868962 IJLZLEBADKBKLE-UHFFFAOYSA-N 420.506 3.763 0 50 HHAA Cc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 11706269 PRLKWGCKHYEYAG-QHCPKHFHSA-N 409.574 3.925 0 50 HHAA Cc1c(C(=O)NCc2c(F)cccc2F)sc2ncnc(NC[C@@H]3CCCO3)c12 12079586 QFOCYLSDKXPGSU-LBPRGKRZSA-N 418.469 3.799 0 50 HHAA CC(C)c1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)cc1 12204851 XDJYQRKDPPXYFE-VXKWHMMOSA-N 400.563 3.619 0 50 HHAA COc1cc(CN2C(=O)CC[C@H]2CCNCc2ccccc2F)cc(OC)c1OC 14976942 XCFHZEZDZVVLIX-SFHVURJKSA-N 416.493 3.522 0 50 HHAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2cccc3ccccc23)n1 49546636 RSNYZQGMAKICQD-UHFFFAOYSA-N 403.413 3.850 0 50 HHAA COc1cccc(C(=O)COc2ccccc2N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)c1 101882413 IMTUFPTYEPFILR-LZQZEXGQSA-N 407.466 3.883 0 50 HHAA COC(=O)C1=NOC2(CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)C1 170609664 WNMSZGSZPNYPBD-UHFFFAOYSA-N 409.442 3.795 0 50 HHAA COc1cc(OC)cc(N2CC[C@H](Nc3cn(CC(C)C)nc3C(F)F)C2=O)c1 170610589 NNNODTVDRXZKCL-INIZCTEOSA-N 408.449 3.711 0 50 HHAA O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(N2CCNCC2)cn1 170676734 QNHVVUFWZKRNEG-UHFFFAOYSA-N 411.358 3.670 0 50 HHAA CCN(CC(=O)NCc1ccc(C)c(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 225670320 QAUYCIZUAMLZSG-LJQANCHMSA-N 421.557 3.862 0 50 HHAA CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 240902836 IVQYJAPZHMYESC-HNNXBMFYSA-N 407.507 3.768 0 50 HHAA O=C(c1ccco1)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1cnc2ccccc2n1 241588065 OZGYUPAHMWBLPG-LJQANCHMSA-N 412.405 3.943 0 50 HHAA COc1cccc(C(=O)Cn2cc(-c3ccc(Br)cc3)n(C)c2=N)c1 334157639 XBHXECSOKBHVDW-UHFFFAOYSA-N 400.276 3.627 0 50 HHAA O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@@H](C(=O)O)[C@@H]1CCCOC1 432108543 PSMPCTVKPDKWLC-WAIKUNEKSA-N 424.472 3.903 0 50 HHAA Cc1cccc(-c2cccc(CNC(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)c2)c1 478285311 RQCFLRFPGIHXRD-VWLOTQADSA-N 413.477 3.647 0 50 HHAA COc1ccc(CC(=O)NS(=O)(=O)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 772784111 HMYQIFZVIQTKPA-NSHDSACASA-N 402.299 3.752 0 50 HHAA O=C1CCN(c2ccccc2C(=O)N2CCCC[C@@H]2CCc2cccs2)C(=O)N1 1506396320 CNLQUGBFJTYJIR-MRXNPFEDSA-N 411.527 3.822 0 50 HHAA O=C(N[C@@H]1CCc2ccc(Cl)cc21)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 1857530485 PFXBVZSASUIJHK-IEBWSBKVSA-N 404.919 3.585 0 50 HHAA CC1(C)[C@H]2CC=C(CN3C[C@@H]4CC[C@H](C3)[C@@H]4NC(=O)Cc3ccc(CO)cc3)[C@@H]1C2 1857694682 ULROVDVVWHRNCF-GPUWNAPISA-N 408.586 3.540 0 50 HHAA Cc1ccncc1C(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857710393 VDVAWWKWZOTFIO-UHFFFAOYSA-N 400.482 3.673 0 50 HHAA Cc1ccsc1C(=O)NC[C@H]1[C@H]2CN(Cc3nc(C)c(C)s3)C[C@]23CC[C@H]1O3 1857733886 DGZCVCNAESDPBX-BIZBXSGISA-N 417.600 3.539 0 50 HHAA O=C(c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F)N1CCCC[C@H](C2CCOCC2)C1 1875333831 MWJSYZBYSKPXOK-UHOSZYNNSA-N 422.520 3.952 0 50 HHAA O=C1CCC[C@@H](C(F)(F)C(=O)N2CCC[C@H]2C(=O)Nc2nc3ccccc3s2)C1 2325824772 PSZPIIVQVNVGCK-DOMZBBRYSA-N 421.469 3.620 0 50 HHAA C[C@@](N)(C(=O)N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc(C(F)(F)F)cc1 2325828589 LSHAIFGGUMYFGZ-UZLBHIALSA-N 409.427 3.804 0 50 HHAA CCc1nc(O)ccc1C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356137316 JWVAJGKJYIBXCJ-RUZDIDTESA-N 414.509 3.927 0 50 HHAA COc1cc(OC)c([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c(OC)c1 684048 NPGOEIZCXRECDZ-SFHVURJKSA-N 412.471 3.789 0 50 HHAA O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)N1CCOCC1 759220 CUONJIDMEIRDDS-UHFFFAOYSA-N 416.812 3.602 0 50 HHAA COc1ccc(OC)c([C@H]2C(C(C)=O)=C(O)C(=O)N2c2nc3ccccc3s2)c1 849077 UTFOQTLOJQRYNF-SFHVURJKSA-N 410.451 3.803 0 50 HHAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 7054476 BLAVTDXTPPQOAC-MRXNPFEDSA-N 422.572 3.525 0 50 HHAA Cc1csc(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2CC(C)C)n1 9304475 WYWGKIPSLDGCQH-ZDUSSCGKSA-N 402.549 3.880 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)NC[C@H]1Cc2cc(-c3cccnc3)cc(F)c2O1 12130196 JPLPGTBICZBYDP-LJQANCHMSA-N 420.440 3.669 0 50 HHAA COc1cc(F)ccc1CN1CCC(n2nccc2NC(=O)c2cccnc2)CC1 12595388 XDYLGOIMQBJZMH-UHFFFAOYSA-N 409.465 3.515 0 50 HHAA CC[C@@H](C)Nc1cnc2c(c1)c(NC(=O)c1ccco1)c(C(=O)OC)n2CCOC 14535231 LNUXLUHGVSYITH-CYBMUJFWSA-N 414.462 3.525 0 50 HHAA Cn1cc(CN2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cn1 15064529 LQAYWGBRHOKGMB-FQEVSTJZSA-N 401.470 3.831 0 50 HHAA CCn1cc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(CCCOC)c3n2)c(C)n1 20615677 DACPZIGIFUUAET-UHFFFAOYSA-N 409.462 3.620 0 50 HHAA O=C1NCCN(Cc2csc(-c3cccs3)n2)[C@@H]1Cc1nc2ccccc2o1 170599790 XENHOJZVIHBHLI-OAHLLOKOSA-N 410.524 3.556 0 50 HHAA COCCNc1ncnc2sc(C(=O)N3CCCC[C@@H]3c3cccnc3)c(C)c12 299765432 ATNZYPORAPXDJO-MRXNPFEDSA-N 411.531 3.820 0 50 HHAA CC1(C)CCc2ccccc2[C@H](NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 442968672 SVQMJSUSPPCKQK-NTKDMRAZSA-N 405.498 3.575 0 50 HHAA COc1ccc(-c2ccc(C(=O)NCCOc3cccc4cccnc34)c(O)n2)cc1 670456925 BWGSSAVMVNHITD-UHFFFAOYSA-N 415.449 3.820 0 50 HHAA CSc1ccc(O[C@@H](C)C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)cc1 777869719 KRYIUKBMWJROGO-ZDUSSCGKSA-N 407.923 3.689 0 50 HHAA CCN(CCc1nc2ccccc2[nH]1)C(=O)[C@H]1CCCCN1C(=O)c1ccccc1 952860291 LELQYVBWEHMBCE-OAQYLSRUSA-N 404.514 3.649 0 50 HHAA CC(=O)N1C[C@@H]2CN(C(=O)c3sccc3Cl)C[C@@]2(CCc2ccccc2)C1 1772705605 YGOMDBFFDGAOMR-DYESRHJHSA-N 402.947 3.955 0 50 HHAA NC(=O)N1CCC(C(=O)N[C@H](c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)CC1 1875252926 RXWXXNQGXRLEEG-GOSISDBHSA-N 423.410 3.841 0 50 HHAA O=C(O)Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3coc(-c4ccccc4)n3)C2)c1 1875263697 SSISQHKBUNWTJW-LJQANCHMSA-N 419.481 3.819 0 50 HHAA Cc1nc(N2CCOCC2)sc1C(=O)Nc1onc(C)c1-c1ccc(F)cc1 1940195377 PKRSCEWMTLCJTM-UHFFFAOYSA-N 402.451 3.643 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cc(C)ccc2C)cc1 882308 NSLBBISNHKLQEH-UHFFFAOYSA-N 423.538 3.519 0 50 HHAA CCn1ncc(Br)c1C(=O)Nc1c(C)nn(Cc2cccc(F)c2)c1C 1011995 VRIFBADXEONBIS-UHFFFAOYSA-N 420.286 3.919 0 50 HHAA CCn1c(SCC(=O)Nc2cccc(OC)c2)nc2sc(C)c(C)c2c1=O 2394604 RNBUYGHQDNRQCT-UHFFFAOYSA-N 403.529 3.834 0 50 HHAA O=C(CF)N[C@H](NC(=S)Nc1cccc2ccccc12)C(Cl)(Cl)Cl 2905390 TVRRYFGWENQVNP-CYBMUJFWSA-N 408.713 3.908 0 50 HHAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C3CCSCC3)C2)c(OC)c1 11946729 VSHFXOLMUFCRCX-KRWDZBQOSA-N 406.592 3.708 0 50 HHAA Cc1nnsc1C(=O)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 12197410 RYZJNUUULPNGPW-IBGZPJMESA-N 413.591 3.929 0 50 HHAA COCCCNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1CN(C)C 14878580 KFQHQJWMUWDVDA-UHFFFAOYSA-N 413.543 3.556 0 50 HHAA O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)c1cc3ccccc3[nH]1)CC2 14998994 OJBVBQTVXWACLI-HXUWFJFHSA-N 416.525 3.554 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 16096391 XHVFWERWWIEZBV-UHFFFAOYSA-N 424.478 3.819 0 50 HHAA CCc1c(C)sc2nc(S)n(NC(=O)CSCc3ccc(F)cc3)c(=O)c12 17093649 LNCFCWUCSFKEBO-UHFFFAOYSA-N 423.560 3.760 0 50 HHAA CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 27997876 MLDJWBREWCGYSI-OAQYLSRUSA-N 404.514 3.724 0 50 HHAA O=C(Nc1nc(-c2ccccc2)ns1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 55341574 DHPMXMBPJJIEOW-KRWDZBQOSA-N 403.471 3.503 0 50 HHAA CCC(CC)C(=O)N1CCc2cc(S(=O)(=O)NCc3cccs3)ccc2C1 77385397 CIIWSYGOYCEQQM-UHFFFAOYSA-N 406.573 3.548 0 50 HHAA COc1ccc2c(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)nsc2c1 170613531 FEAVXISVVGMVCF-GOSISDBHSA-N 411.527 3.880 0 50 HHAA C[C@H]1Oc2ccc(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)cc2NC1=O 170634156 XUVZIYKEWSTYAK-LLVKDONJSA-N 416.359 3.863 0 50 HHAA CN([C@@H]1[C@H]2CCO[C@H]2C1(C)C)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 241277688 LIGLKRUDWXSVAU-KZNAEPCWSA-N 413.486 3.650 0 50 HHAA COc1ccc([C@@H](O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1OC 263617160 MJJLXSSPCOMWQI-NRFANRHFSA-N 419.481 3.531 0 50 HHAA Cc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc5c(c3)OCO5)OC4)n2)cc1 263617899 QGFYBCRPPRMTSV-FQEVSTJZSA-N 402.410 3.909 0 50 HHAA Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCCCN1Cc1cccnc1 1251748787 HIQCUUHFUNBZPL-XMMPIXPASA-N 417.557 3.614 0 50 HHAA CN1CCC2(CCN(C(=O)[C@@H]3CCCN(c4nc5cc(Cl)ccc5o4)C3)CC2)C1 1857736498 RLFSYGMOMBJAKW-MRXNPFEDSA-N 416.953 3.642 0 50 HHAA O=C(NCCn1cc(-c2cccc3cnccc23)nn1)c1ccc(-c2ccncc2)cc1 1875353444 SUHFEVOZVJBWOW-UHFFFAOYSA-N 420.476 3.985 0 50 HHAA C=CC(=O)NC[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccc2ccccc2c1 1875383056 DXDXRULCJKKTRW-RBBKRZOGSA-N 418.468 3.690 0 50 HHAA CN1CCN(CCc2ccc(NC(=O)c3csc(-c4ccc(O)cc4)n3)cc2)CC1 2325748030 FEUJSULBRXEEBS-UHFFFAOYSA-N 422.554 3.558 0 50 HHAA O=C1NC(=O)/C(=C\c2ccc(C(=O)N3CCC(c4ccccc4CO)CC3)cc2)S1 2325749249 HUVNFEWKHDQEHB-DEDYPNTBSA-N 422.506 3.523 0 50 HHAA COc1cc2[nH]c(=NCC[C@@H](c3ccccc3)C(F)(F)F)[nH]c(=N)c2cc1OC 2325824968 XMQUNJDWKNLSHR-AWEZNQCLSA-N 406.408 3.630 0 50 HHAA O=C(Cc1cc(O)nc(O)n1)N[C@@H](CC(F)(F)F)c1cc(Cl)cc(Cl)c1 2325877339 OXWYNEPFUGMNOL-NSHDSACASA-N 410.179 3.547 0 50 HHAA CCOc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1Br 1117273 KPMUKRJNWKBKRW-UHFFFAOYSA-N 405.292 3.937 0 50 HHAA COc1cc(OC)cc(C(=O)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)c1 2799569 NSCPSPHZOVRBRV-UHFFFAOYSA-N 407.257 3.903 0 50 HHAA CC(C)OCCCNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11873519 INXKZBICKQLOLD-UHFFFAOYSA-N 411.546 3.670 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccccc2Cl)c1=O 11911099 CPQFDKVIYQOHAX-UHFFFAOYSA-N 417.937 3.741 0 50 HHAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cccs1 12058426 XDBDLABDMNGQND-SFHVURJKSA-N 403.567 3.803 0 50 HHAA COc1ccc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)cc1 12387458 QLFUIJDMDPHWOX-MZMBWCASSA-N 418.537 3.983 0 50 HHAA CC(C)Cc1cc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)[nH]n1 12444880 CMAZCNBUZBYIAW-UHFFFAOYSA-N 400.542 3.774 0 50 HHAA O=S(=O)(c1ccccc1)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 12589568 BYWXVAIKCWKERE-UHFFFAOYSA-N 413.461 3.711 0 50 HHAA Cc1nn(C)c(Cl)c1CN1CCC(O)(Cc2cc(-c3ccccc3)no2)CC1 12596336 QBTQMSVMPHDVCD-UHFFFAOYSA-N 400.910 3.607 0 50 HHAA Cc1c(Cl)cccc1NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 18250929 VLPQKDAICURDNF-UHFFFAOYSA-N 403.935 3.892 0 50 HHAA Cc1cccc(OCCSc2nnc(CN3CCOCC3)n2-c2ccccc2)c1 19804440 YJIZLUMEUDLXKI-UHFFFAOYSA-N 410.543 3.579 0 50 HHAA COc1ccc([C@@H]2c3c(nn(-c4ccccc4)c3C)C[C@](C)(O)[C@H]2C(C)=O)cc1OC 22146676 CQJYUMMMUFETNO-DSITVLBTSA-N 420.509 3.842 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1Cl 65362040 ZPXNYHYMINNNQH-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA O=S(=O)(c1ccccc1)n1c(I)cc2cnc(Cl)cc21 95708065 JSJQNHSTBZYPQY-UHFFFAOYSA-N 418.643 3.531 0 50 HHAA in-vitro CCOc1ccc(CC(=O)N2CCC3(CC2)NC(c2ccc(Cl)cc2)=NO3)cc1 169754932 JKGCAVYOKCBQPZ-UHFFFAOYSA-N 413.905 3.582 0 50 HHAA O=C1C[C@@H](c2ccc3c(c2)OCCO3)c2c(ccc(C(=O)c3ccccc3)c2O)O1 253414783 YPCUHKRTFFNWKI-KRWDZBQOSA-N 402.402 3.835 0 50 HHAA biogenic O=C(CCCc1ccc2nc(O)[nH]c2c1)NCc1nccn1CCCc1ccccc1 434378803 VTZKSXKZJMDIEK-UHFFFAOYSA-N 417.513 3.737 0 50 HHAA O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1cccc(N2CCNC2=O)c1 828314688 MJESAIFPHUGRMP-JOCHJYFZSA-N 406.530 3.563 0 50 HHAA CSCC(=O)N1C[C@@H]2CN(Cc3cccnc3C)C[C@]2(CCc2ccccc2)C1 1772709230 JIGFQSAUOLAIHU-LADGPHEKSA-N 409.599 3.646 0 50 HHAA O=C1[C@H](n2cc(-c3ccc(Cl)cn3)nn2)CCCN1Cc1ccc(F)cc1F 1857531555 RFEZMVBUQPLPBT-GOSISDBHSA-N 403.820 3.635 0 50 HHAA CCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC[C@H]1CSCCS1 1875265199 AZEKUDNKRALKJI-GJZGRUSLSA-N 408.614 3.765 0 50 HHAA CC(C)(C)OC(=O)N1CCN[C@@H](c2cnn(-c3ccc(Br)cc3)c2)C1 2325805733 NSSPXNWCUPAFSM-MRXNPFEDSA-N 407.312 3.516 0 50 HHAA CCOC(=O)c1c(NC(=S)NC(=O)c2cnn(CC)c2)sc2c1CCCCC2 649475 IRLGKAVSTKRBHP-UHFFFAOYSA-N 420.560 3.537 0 50 HHAA COc1ccc(Br)cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1110396 HTZNMXRLMOFXOZ-UHFFFAOYSA-N 416.275 3.508 0 50 HHAA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 1138831 GHLCNFVESHCQNZ-UHFFFAOYSA-N 413.326 3.811 0 50 HHAA Cc1ccccc1N1C[C@H](C(=O)OCC(=O)c2ccc(Br)cc2)CC1=O 1233545 VUVORKLTZAMXMT-OAHLLOKOSA-N 416.271 3.537 0 50 HHAA CCOc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccccc2)cc1 3670242 FWCMXTOZUAUDDM-DEOSSOPVSA-N 417.465 3.599 0 50 HHAA CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2OC)cc1 4660788 LJQWUXBYJGSGPP-UHFFFAOYSA-N 404.271 3.980 0 50 HHAA COc1ccccc1-c1cnn2c(N3CCN(c4cccc(C)n4)CC3)cc(C)nc12 5345469 OHGUIBQGRGRQIY-UHFFFAOYSA-N 414.513 3.743 0 50 HHAA COc1cc(-c2nnc(CSc3ncnc4ccccc34)o2)cc(OC)c1OC 8188519 WVHYHSVBFUSVAD-UHFFFAOYSA-N 410.455 3.998 0 50 HHAA COc1ccc(CNCc2ccc(Cl)cc2)cc1OC[C@H](O)CN(C)C(C)C 11765933 RKJXYMHPWXPUOK-HXUWFJFHSA-N 406.954 3.718 0 50 HHAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 11813331 WBFKPADFZUJXLS-HNNXBMFYSA-N 423.900 3.813 0 50 HHAA COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3cccc4cccnc34)C2)c1OC 12701730 VUEKUBAVGIHJPC-SFHVURJKSA-N 419.525 3.894 0 50 HHAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)c3[nH]c(C)cc3C)C2)cc(OC)c1 12835072 YQWLLVNRXBKWNQ-KRWDZBQOSA-N 413.518 3.920 0 50 HHAA O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(OCc2ccccc2)cc1 12860925 XYZIBWZVHDSFKM-UHFFFAOYSA-N 418.478 3.562 0 50 HHAA COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1cccn1-c1nccs1 15006362 KSWRCPLVBBTVJY-RDJZCZTQSA-N 414.918 3.586 0 50 HHAA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(-n2cnnc2)cc1Cl 15879994 FVLDRNAZMAGEMJ-UHFFFAOYSA-N 418.284 3.663 0 50 HHAA Cn1ncc2c(C(=O)Nc3ccc(N4CCCCC4)c4nonc34)cc(C3CC3)nc21 20607291 NKXUYIXVNGHNRX-UHFFFAOYSA-N 417.473 3.625 0 50 HHAA C[C@H](CN1CC2(CCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O)c1ccccc1 72426660 LCZURGNBKGLBAW-GOSISDBHSA-N 408.546 3.888 0 50 HHAA COc1ccc(Cl)cc1C(=O)N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1 169754254 TZGWIAMSFAQJKQ-ZDUSSCGKSA-N 402.907 3.809 0 50 HHAA COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Cc3ccccc3C)n2)cc1OC 169760448 YMAVXHNBSDQWGH-SFHVURJKSA-N 407.470 3.968 0 50 HHAA Cc1cccc([C@@H]2NC(=O)N(CC(=O)N[C@@H](c3cccs3)C(C)(C)C)C2=O)c1C 170613140 KPKZYJAJIRIPOP-OALUTQOASA-N 413.543 3.861 0 50 HHAA CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1[nH]nc(C(C)C)c1Br 170623474 ZWYWZKDQCCESEJ-GFCCVEGCSA-N 408.296 3.598 0 50 HHAA O=S(=O)(Nc1cc(-c2ccncc2)n[nH]1)c1cc(Cl)ccc1Br 225531088 WRKKLHNBBIVOQG-UHFFFAOYSA-N 413.684 3.688 0 50 HHAA COCc1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)o1 225742566 SFBUFUPUSJPXGM-ZWKOTPCHSA-N 400.475 3.559 0 50 HHAA O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 254438551 ZGSXEXBYLJIOGF-ZCLUNYJNSA-N 409.445 3.799 0 50 HHAA in-vitro COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cc(C)nc3ccccc13)CC2 431983326 UXLDDELZVYNQBP-FQEVSTJZSA-N 420.465 3.775 0 50 HHAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 437543346 DBJWARAPGBRTCZ-MRXNPFEDSA-N 402.401 3.792 0 50 HHAA CCn1nc(C)c([C@H](C)NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c1C 670472293 BHXZNGCYIYGUFX-LBPRGKRZSA-N 408.549 3.893 0 50 HHAA COc1cc(Cl)cc(CN2CCC[C@H](CN3CCN(C)CC3)C2)c1OC(C)C 952969448 BGVCKLMOPQSEMD-GOSISDBHSA-N 410.002 3.595 0 50 HHAA COc1cc(Br)cc2sc(NC(=O)CCOC[C@H]3CCCO3)nc12 1463345697 IOMMFIFKFAWAFL-LLVKDONJSA-N 415.309 3.592 0 50 HHAA CCN1CCC(N(CCc2ccccn2)C(=O)[C@@H](C)Oc2ccc(F)cc2F)CC1 1506395084 BUMYOHAJLVDREL-QGZVFWFLSA-N 417.500 3.683 0 50 HHAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1-n1ccnc1-c1c(F)cccc1Cl 1857685615 ZWKQARCSBULHAM-ZDUSSCGKSA-N 408.886 3.505 0 50 HHAA Cc1ccccc1CCNC(=O)[C@H](C)N1CCC(c2nc3cccc(F)c3[nH]2)CC1 1875259730 OFPNMCJXDKQGKH-KRWDZBQOSA-N 408.521 3.937 0 50 HHAA O=C(O)[C@H]1CN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)Cc2ccccc21 1875302877 KRPNSZAESUASSS-INIZCTEOSA-N 403.360 3.939 0 50 HHAA CCCc1c(N=c2[nH]c(=N)[nH]c(Cl)c2Br)cnn1-c1ccccc1C 1875335277 ZMDRDXCRTVDJGO-UHFFFAOYSA-N 421.730 3.917 0 50 HHAA C[C@@H]1CC2(CCOCC2)CN1c1nnc(-c2ccc3cnn(C)c3c2)n1CC1CC1 2325840254 VLKWTQRVTLXOPN-MRXNPFEDSA-N 406.534 3.637 0 50 HHAA C[C@H](N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C)C(=O)Nc1ccc(F)cc1Cl 2325861334 NBNMHKFYPHJVTR-HZSPNIEDSA-N 403.885 3.762 0 50 HHAA COc1ccc(-c2cc(S(=O)(=O)N(C)Cc3cnn(C)c3)c(C)cc2C)cc1F 2356155993 QRWCENLBDOGYER-UHFFFAOYSA-N 417.506 3.672 0 50 HHAA COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 1158665 KSNKVVXRFYHWRG-UHFFFAOYSA-N 417.303 3.949 0 50 HHAA O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1779486 HBTWFPWOFHMNAN-UHFFFAOYSA-N 417.512 3.742 0 50 HHAA CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 4411669 CQSFPBDUSNVLFL-UHFFFAOYSA-N 405.526 3.918 0 50 HHAA CCOc1ccc(-c2nc3s/c(=C/c4c(F)cccc4Cl)c(=O)n3n2)cc1 8565024 DBKJOASTBIWGIM-MHWRWJLKSA-N 401.850 3.557 0 50 HHAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2CCCCN2C)C3)s1 11881521 YDVFMXIQRPAVIG-WMZOPIPTSA-N 416.518 3.661 0 50 HHAA O=C(CSc1ccccn1)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 11934507 WFYAFOYAJWKXQC-INIZCTEOSA-N 400.454 3.831 0 50 HHAA O=C([C@H]1Cc2ccccc2O1)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1 12243128 UZLMGJXYKRANHG-OAQYLSRUSA-N 402.498 3.866 0 50 HHAA Cc1noc(C)c1CCC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 12459022 NPTVWDRXMSYJCH-GOSISDBHSA-N 415.509 3.698 0 50 HHAA Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 20103511 PZFVRRFHBUNNSB-OAQYLSRUSA-N 411.465 3.856 0 50 HHAA Cc1ccccc1N1CCN(c2ncccc2CNc2ncnc3c2CCC3)CC1 67833484 KERVMCGRHALJKK-UHFFFAOYSA-N 400.530 3.607 0 50 HHAA O=C(NC1CCCCC1)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 91460215 BYYAHYMLMBYWKF-SFHVURJKSA-N 410.562 3.958 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2cc[nH]n2)CC1 95529900 APROORHXADXGIZ-UHFFFAOYSA-N 403.530 3.668 0 50 HHAA CCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc(OC)c1 170618386 JWCJUMJJKCWLQV-HXUWFJFHSA-N 415.515 3.545 0 50 HHAA O=C(COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1)N1CCOCC1 225533839 SAGNDMZZOPLQAE-UHFFFAOYSA-N 422.525 3.765 0 50 HHAA O=C(NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 438377511 UZRBPOGZDKQPGQ-YCWFLVHMSA-N 400.522 3.504 0 50 HHAA COc1ccc2oc(CNC(=O)[C@H]3CC(=O)N(c4ccc(C(C)C)cc4)C3)nc2c1 952991014 ZEOOORBCFHVSLB-INIZCTEOSA-N 407.470 3.629 0 50 HHAA COc1cc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)c2ccccc2n1 1506421367 IZMDTOQWLDMFDA-UHFFFAOYSA-N 401.510 3.906 0 50 HHAA Cc1ccc2oc(CN3C[C@@H]4CN(Cc5scnc5C)C[C@@]4(CO)C3)c(C)c2c1 1772707916 YWGWYDYNJSROFV-WZONZLPQSA-N 411.571 3.741 0 50 HHAA Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ncnc3c2CN(C)CC3)s1 1776002996 PMKKBRWAUYTZFW-UHFFFAOYSA-N 414.922 3.879 0 50 HHAA COc1ccc2oc(N3CCC[C@H](Cc4nc(C)nn4-c4cccnc4)C3)nc2c1 1857680592 LLLQSCLLSKKWAL-MRXNPFEDSA-N 404.474 3.580 0 50 HHAA O=C(c1cccc2c1NCCC2)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857696612 JBEUQODZFCHTQV-XMMPIXPASA-N 404.514 3.538 0 50 HHAA COc1cc([C@H]2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc(OC)c1OC 1155571 OHLMIDCHEMBXFZ-MRXNPFEDSA-N 415.446 3.987 0 50 HHAA CCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CCN(CC)CC 2347296 TVENUVYAZPGIJN-UHFFFAOYSA-N 414.575 3.762 0 50 HHAA Cc1ccc(CN(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 2993182 CWEXGHRTRRTSRN-UHFFFAOYSA-N 414.571 3.753 0 50 HHAA CCc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 3016870 GOVMVWIKQORZSA-UHFFFAOYSA-N 402.560 3.915 0 50 HHAA CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)c(OC)c(OC)c1)CC(=O)N2 4488959 AUIDZUXJFPGCOL-CQSZACIVSA-N 401.459 3.984 0 50 HHAA O=C(CCc1ccccc1)Nc1nnc(SCC(=O)NC2CCCCC2)s1 9348142 QHLUYQCPAIBVPK-UHFFFAOYSA-N 404.561 3.650 0 50 HHAA Cc1cccc(Nc2ccc(N3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nn2)n1 11697236 VXXJQXXMBCHYBF-UHFFFAOYSA-N 417.517 3.895 0 50 HHAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCN2CCCCO2)n1 11932916 XJRSPUVLSNCNPQ-XMMPIXPASA-N 404.514 3.763 0 50 HHAA CC[C@H]1CCCCN1Cc1cnc(S(=O)(=O)C2CCCCCC2)n1CCOC 11936144 UERXMOQBFCWUHY-SFHVURJKSA-N 411.612 3.791 0 50 HHAA COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC[C@H](O)CN(C)C(C)C 11945938 JGOIAWXIRMNAPW-HXUWFJFHSA-N 404.526 3.512 0 50 HHAA CN(Cc1cccs1)Cc1nnc(SCc2ccccn2)n1C[C@@H]1CCCO1 12209283 SLBLZWGNMXUOHW-KRWDZBQOSA-N 415.588 3.838 0 50 HHAA CC(C)CC[C@]1(C2CCN(Cc3ccc(OC(C)C)cc3)CC2)NC(=O)NC1=O 12209590 FAFBKSGJHLLEPC-HSZRJFAPSA-N 401.551 3.700 0 50 HHAA COC[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 12433719 ARYGJKOQMOVLSU-FQEVSTJZSA-N 423.623 3.648 0 50 HHAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4[nH]c(C)cc4C)C3)C2)c1OC 12589670 FIUMEAGAWGOHFK-DEOSSOPVSA-N 411.546 3.777 0 50 HHAA O=C(c1ccc2c(c1)OCO2)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 12703558 FVGSSLVJVXIXMA-RUZDIDTESA-N 406.526 3.976 0 50 HHAA COC(=O)c1c(NC(=S)Nc2ccc(Br)cn2)sc2c1CCC2 13281429 PTDDYNRERYICJX-UHFFFAOYSA-N 412.334 3.990 0 50 HHAA COc1ccc(C[C@]2(CCC(=O)N[C@H](C)c3ccc(F)cc3)CCC(=O)N2)c(F)c1 14879118 PLQAXCKIBGLURE-CMJOXMDJSA-N 416.468 3.822 0 50 HHAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4ncoc4C4CC4)C3)C2)c1 14954130 ISFFNYAWFDTWES-QHCPKHFHSA-N 413.493 3.828 0 50 HHAA Cc1ccc(-c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)cc1S(N)(=O)=O 16647472 QMOQGUKIESGCEI-UHFFFAOYSA-N 422.554 3.559 0 50 HHAA CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)Oc1ccc(OC)cc1 17091898 GUOTWXZGVIXPKK-GFCCVEGCSA-N 419.532 3.634 0 50 HHAA c1ccc2c(-c3n[nH]cc3CNC[C@H](c3ccncc3)N3CCOCC3)cccc2c1 22913118 XZEAKBGYMXVTKS-XMMPIXPASA-N 413.525 3.788 0 50 HHAA COc1cc(NC(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1C 55555039 LSYYZRIAKZKIKA-UHFFFAOYSA-N 402.926 3.601 0 50 HHAA CCN1c2cc(C(=O)Nc3cccc(C(=O)OC)c3)ccc2C(=O)N2CCCCC[C@@H]21 169766432 IGSXWYNDNBPBNQ-OAQYLSRUSA-N 421.497 3.908 0 50 HHAA Cc1cc(C)cc(C(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)c1 169778071 ADLBXHKMTUOTIE-IBGZPJMESA-N 414.469 3.699 0 50 HHAA COC(=O)[C@@](C)(NC(=O)COc1ccc(C(C)=O)cc1)c1ccc(Cl)c(Cl)c1 170599527 VFMKQFNSQJFSQY-FQEVSTJZSA-N 424.280 3.779 0 50 HHAA C[C@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)C(=O)c1ccccc1 197192099 MRUWHASBVVNYNC-CCTJXGJQSA-N 417.461 3.650 0 50 HHAA CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCCCCc2cccc(C(F)(F)F)c2)C1 239359520 AEKXSPKYFKQMGD-AEFFLSMTSA-N 416.484 3.846 0 50 HHAA COc1ccc(-c2ccc(C(=O)N3CCCOc4c(cccc4OC)C3)c(O)n2)cc1 426550440 MHJGHWKSZDDWNS-UHFFFAOYSA-N 420.465 3.896 0 50 HHAA O=C(O)CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OCc2ccccn2)cc1 432105809 FZBACLBBEXDGGO-HXUWFJFHSA-N 404.466 3.867 0 50 HHAA O=C(NCc1nccn1CCCc1ccccc1)N1CC[C@@]2(C1)OCc1ccccc12 472774600 QMMCAKKZNHZWTH-VWLOTQADSA-N 416.525 3.857 0 50 HHAA CCOc1ccc(C2(CNC(=O)[C@@H](O)c3ccc(Cl)cc3)CCOCC2)cc1 813420980 OYZMCCRLCYWRCY-FQEVSTJZSA-N 403.906 3.637 0 50 HHAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)cc1 1772708630 DTTOGNDZDABMPE-NQIIRXRSSA-N 414.509 3.683 0 50 HHAA OC[C@@]12CN(Cc3ccc(Cl)s3)C[C@@H]1CN(c1ncc(Cl)cc1F)C2 1772805450 KYVSTZNKQHOHOQ-DIFFPNOSSA-N 402.322 3.520 0 50 HHAA O=C(CCC1CCCC1)N1C[C@@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@@]2(CO)C1 1772809873 GHCJARBDOVRJBE-AVRDEDQJSA-N 408.945 3.702 0 50 HHAA COc1ccc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)cc1Cl 1857739069 CAWLNIYKIFPZET-JOCHJYFZSA-N 413.905 3.842 0 50 HHAA Cc1ccc(-n2cnc3c2CCN(C(=O)c2cccc(-n4c(C)cnc4O)c2)C3)cc1 1875263340 OQNULIJLGKYFCT-UHFFFAOYSA-N 413.481 3.579 0 50 HHAA CN(C)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 947732 OYDORQLUMYHDLL-UHFFFAOYSA-N 413.568 3.896 0 50 HHAA CCOC(=O)c1ccc(NC(=O)C[C@@H]2Nc3cccc4cccc(c34)NC2=O)cc1 1049885 BOSOHOVKQGPRLG-IBGZPJMESA-N 403.438 3.778 0 50 HHAA O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 1174281 IZHGUUQFYSGHIH-UHFFFAOYSA-N 402.422 3.799 0 50 HHAA Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)/C=C/c4ccco4)cc3n2)cc1 1179540 PIACARLBZQHJRZ-PKNBQFBNSA-N 403.467 3.848 0 50 HHAA aggregator Cn1cc(/C=C/C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cn1 2754485 VYOYWZONRWAZGJ-NSCUHMNNSA-N 423.313 3.954 0 50 HHAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(CC)cc2)CC1 2850843 ZZWKGHPBKCOEKA-UHFFFAOYSA-N 408.951 3.812 0 50 HHAA Brc1ccc2c(c1)OCCSCCOCCOCCSCCO2 4425792 XJGVRVSJGIWLPR-UHFFFAOYSA-N 423.394 3.720 0 50 HHAA Cn1nc(C(F)(F)F)c(Br)c1C(=O)NC12CC3CC(CC(C3)C1)C2 6790298 RRJAROGUHFTSAF-UHFFFAOYSA-N 406.246 3.900 0 50 HHAA O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=S)N1C[C@@H]1CCCO1 9972718 PQGLZYHKUUKCPU-XUEUYAKLSA-N 417.534 3.790 0 50 HHAA Cc1c(CN2CCC3(CC2)C[C@@H]3C(=O)NCC2(c3ccccc3)CCCC2)cnn1C 11838749 AEUHSIFOSQAFKF-HSZRJFAPSA-N 420.601 3.959 0 50 HHAA CCN(CC)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O 12002103 KKRHHTAOPIUJBU-VWLOTQADSA-N 404.510 3.771 0 50 HHAA CS(=O)(=O)Nc1cc(CNCc2ccsc2)cc(C(=O)Nc2ccccc2)c1 12151594 ITEQIKQIPDSQEK-UHFFFAOYSA-N 415.540 3.662 0 50 HHAA Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3NCc2cccn2-c2ncccn2)c1 12596888 XYBJPKOHONQJQX-FQEVSTJZSA-N 406.440 3.898 0 50 HHAA O=c1c2c3c(sc2ncn1C1CCCC1)C[C@H](NCC1(O)CCCCC1)CC3 14992358 XCDOWSJGLAIBTB-OAHLLOKOSA-N 401.576 3.715 0 50 HHAA CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)NCc2ccco2)C1 17082867 KDJSMHNUTKJPSF-LBPRGKRZSA-N 404.488 3.589 0 50 HHAA O=C1C[C@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1cccc(Cl)c1 19375809 ZSANMKJFUSSBOP-IBGZPJMESA-N 408.889 3.728 0 50 HHAA O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(F)cc1 23411286 GZHZHBRZTWHZJA-FQEVSTJZSA-N 415.428 3.687 0 50 HHAA CC(C)c1nnc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)s1 61718306 GDGNFOHRMFYROQ-UHFFFAOYSA-N 405.483 3.677 0 50 HHAA CN(C)c1ccc(-c2nc(-c3nnn4c3CO[C@H](c3ccccc3Cl)C4)no2)cc1 169769200 DWBAYBCESAPHLO-SFHVURJKSA-N 422.876 3.986 0 50 HHAA Cc1ccc([C@H]2Cn3nnc(-c4noc(-c5cccc(N(C)C)c5)n4)c3CO2)cc1 169781134 BKFOPNJIFNRORJ-LJQANCHMSA-N 402.458 3.641 0 50 HHAA CCOC(=O)[C@H](CC)N(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 170605727 KALUEKPXGMPHMF-HNNXBMFYSA-N 423.922 3.815 0 50 HHAA CCOC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@H](NC(=O)c1cccc(Br)c1)[C@H](C3)C2 245253994 XTIZQSJHWUWRNY-XLWFTVAISA-N 406.320 3.937 0 50 HHAA O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccccc1Br 252677998 CFDWIBKFZRIWHY-YDHLFZDLSA-N 420.332 3.639 0 50 HHAA O=C(CC[C@@]1(Cc2ccccc2)CCC(=O)N1)NCc1c[nH]nc1-c1ccc(F)cc1 299761721 ZIUGTWMFXAZOST-DEOSSOPVSA-N 420.488 3.504 0 50 HHAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(N2CCCC2)c(Cl)c1 828152554 ZTJXODJXQJUUII-MRXNPFEDSA-N 401.894 3.568 0 50 HHAA COc1ccc(-c2ccno2)cc1S(=O)(=O)N(C)[C@H](C)c1nc(C)sc1C 952869604 KBORUVGVYDKGIQ-LLVKDONJSA-N 407.517 3.805 0 50 HHAA O=C(c1ccccc1)N1C[C@@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@@H]2C1 1775988543 VACPOPZJJYXXTP-MAUKXSAKSA-N 412.415 4.000 0 50 HHAA Cc1nnc(-c2ccccc2C(=O)NCc2cn([C@H](C)c3ccc(Cl)cc3)nn2)o1 1875340865 WCSJHNYTRHCKIS-CYBMUJFWSA-N 422.876 3.829 0 50 HHAA C=CC(=O)NC[C@@H](NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1)c1ccc2ccccc2c1 1875386486 RLYARGKYLFAPJX-ISKFKSNPSA-N 414.505 3.920 0 50 HHAA C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(C)(C)Oc1cccc(-c2nc(=O)o[nH]2)c1 2325849927 GCWFQEORUJKURW-JXFKEZNVSA-N 421.497 3.982 0 50 HHAA CC(=O)N[C@@H](c1cccc(Br)c1)c1nc(Cc2cnc(C3CC3)o2)no1 2325850197 OUIZUKYKQHHWPY-INIZCTEOSA-N 417.263 3.514 0 50 HHAA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)c1OC 862834 JVZTZTTWSZLEMJ-QGZVFWFLSA-N 401.850 3.624 0 50 HHAA CSc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 1110786 SXFQLVIALCCUKQ-UHFFFAOYSA-N 405.282 3.814 0 50 HHAA CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 4714797 BJIHGKDABSSITJ-UHFFFAOYSA-N 400.548 3.729 0 50 HHAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 55211663 NVXULIZAJNTYBL-FQEVSTJZSA-N 413.949 3.775 0 50 HHAA C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 248085027 KCNHDZORAHRFTJ-JXFKEZNVSA-N 414.527 3.503 0 50 HHAA CC(C)N1CCC(N2CCN(Cc3ccccc3-c3ccco3)C[C@@H]2CCO)CC1 22913333 KYEAKSSMVVWSFW-QHCPKHFHSA-N 411.590 3.688 0 50 HHAA O=[S@](C[C@@H](O)COc1c(F)c(F)c(F)c(F)c1F)c1nc2ccccc2s1 15930994 HRYQOZQMLPHROP-CENRPKNCSA-N 423.384 3.539 0 50 HHAA O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H](/C=C/c1ccccc1)N1CSC[C@@H]21 229994478 UNKLTRXXWKZTPX-PWADTDRISA-N 410.926 3.916 0 50 HHAA O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 245227703 LZILBDLXYOPFAT-LEZSPFLNSA-N 402.425 3.636 0 50 HHAA COc1ccc(OC)c(CNC(=O)[C@@H]2CC(Cc3cccc4ccccc34)=NO2)c1 299771954 ZZPVQFKKCBCCMA-QHCPKHFHSA-N 404.466 3.861 0 50 HHAA COc1cc(Br)c2nc(NCc3ccc(OC)c(OC)c3)nc(N)c2c1 170613094 FEMDSHACHJRHHB-UHFFFAOYSA-N 419.279 3.612 0 50 HHAA CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(C)ccc(C)c3s2)c1 728212400 KBHLYAWAKCDFPC-UHFFFAOYSA-N 409.920 3.727 0 50 HHAA O=C(NC[C@H]1CCOc2ccccc21)N1CCC(O)(c2c(F)cccc2F)CC1 779570560 RKCKSEVPQATNAD-OAHLLOKOSA-N 402.441 3.524 0 50 HHAA Cc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NC[C@H](c3ccco3)N(C)C)c2o1 1848442943 PMGHEAGKTYCTMV-GOSISDBHSA-N 420.465 3.916 0 50 HHAA CN1CCCc2cc(C(=O)N3CCC[C@@H](Nc4ccc5c(c4)OCCO5)C3)ccc21 11665440 QMDWPZARSYYJNI-HXUWFJFHSA-N 407.514 3.557 0 50 HHAA COc1ccc2ccccc2c1CNCCn1cc(C(=O)Nc2ccccc2C)nn1 11910979 UWFQFVTZMYYYSQ-UHFFFAOYSA-N 415.497 3.790 0 50 HHAA COC[C@@H]1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 12074208 NYLCWZPUVBALBO-LJQANCHMSA-N 405.498 3.795 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)c1 12459395 DIAIVNAXMHOYJM-FQEVSTJZSA-N 408.542 3.881 0 50 HHAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 12478008 OHCIHOOLJBDJLM-MRXNPFEDSA-N 424.467 3.760 0 50 HHAA CC(=O)N1CCCN(C(=O)C[C@H](c2cccc(Cl)c2)c2ccccc2O)CC1 12577344 JOAIIXGYDRLVFH-HXUWFJFHSA-N 400.906 3.648 0 50 HHAA COc1ccc(-n2c(COc3cccc4cccnc34)nnc2SCC(=O)O)cc1 13545152 DJKQHBYJURERLT-UHFFFAOYSA-N 422.466 3.580 0 50 HHAA O=C(c1ccccc1)C1CCN(C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1 14954046 ALEWWMAMWQXMAO-UHFFFAOYSA-N 408.889 3.715 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(Cc2cnc(N(C)C)s2)C1 19606732 JTUAGOCWIOINHR-OAQYLSRUSA-N 405.539 3.736 0 50 HHAA O=C(Nc1ccc(F)cc1Cl)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2 169759836 GJGGEVKGCRVKSC-IBGZPJMESA-N 415.808 3.928 0 50 HHAA Cc1nc(N2CCC(NC(=O)c3nccc4ccccc34)CC2)cc(C(F)(F)F)n1 169772275 MZZVXCMFXRZWNS-UHFFFAOYSA-N 415.419 3.751 0 50 HHAA O=C(NCCCn1ccnc1)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1 1798120 VYFIWNLKDKJWRQ-HMMYKYKNSA-N 408.889 3.514 0 50 HHAA FC(F)(F)c1cnc(N2CCN(Cc3nncn3-c3ccccc3)CC2)c(Cl)c1 444599262 WUAYIBFYVFZYEE-UHFFFAOYSA-N 422.842 3.657 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(C(=O)[C@@H]2C[C@@H]3CCCCN3C2)C1 952894637 SPOYUDULDICBRL-UTKZUKDTSA-N 410.537 3.797 0 50 HHAA COc1ccccc1[C@H](CNC(=O)c1cc(C)nc2onc(C3CC3)c12)N1CCCC1 1875254826 HEBQLIFELHPPMW-IBGZPJMESA-N 420.513 3.984 0 50 HHAA CCN1C[C@H]2C[C@@H]1CN2C(=O)c1cccc(COc2ccc(CCC(C)=O)cc2)c1 1875317405 WXFWBTNNXVOLIF-DHIUTWEWSA-N 406.526 3.706 0 50 HHAA CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(Cc2cccs2)C1=S 1123157 SCDWOTAGBOXUFE-HNNXBMFYSA-N 407.948 3.748 0 50 HHAA CC(C)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(Br)c1 1118263 PKNOJXHIZKFBLW-UHFFFAOYSA-N 406.276 3.996 0 50 HHAA COc1ccc(N([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 1119324 PCLAVBJNGAYSJY-LBPRGKRZSA-N 416.421 3.507 0 50 HHAA Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 4144283 ZYSNZAHLHRYOLQ-MPGHIAIKSA-N 412.795 3.752 0 50 HHAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 4179244 XPQRTZDIRPPNBW-VXKWHMMOSA-N 406.526 3.811 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(NC(=S)NCc3ccccc3)cc2)CC1 4748798 LQDAJFTWHVRLRI-UHFFFAOYSA-N 403.573 3.594 0 50 HHAA COc1ccccc1NCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 5024145 GYQATJTWFCSCFP-WOJGMQOQSA-N 400.456 3.818 0 50 HHAA Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2)s1 9147026 OLEPYFBNUWICQZ-GFCCVEGCSA-N 423.527 3.609 0 50 HHAA Cc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697688 GRMXMRXDAURKGX-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA CCOC(=O)N1CCC(N2CCC[C@](CCc3ccccc3)(C(=O)OCC)C2)CC1 12001074 FQEDZEOLDOHLJN-XMMPIXPASA-N 416.562 3.885 0 50 HHAA CC(C)C(=O)N[C@@H](NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl 13482483 VNSZCCNYBOWQMW-AWEZNQCLSA-N 419.765 3.990 0 50 HHAA CC(C)c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C[C@H]1CCCO1 17091192 CMBSPQXTOIXKKE-CYBMUJFWSA-N 417.560 3.921 0 50 HHAA Cc1nc2ccccc2nc1CN1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 20448780 QMQCZWCEWAVKLI-JOCHJYFZSA-N 401.558 3.725 0 50 HHAA O=c1/c(=C\c2cccc(Br)c2)sc2nc(-c3ccc(Cl)cc3)nn12 25581233 MRYSMLLWFIEJCH-NTEUORMPSA-N 418.703 3.782 0 50 HHAA Cc1noc([C@@H]2CCCN2C(=O)c2cc(-c3cncnc3)nc3c(C)c(C)ccc23)n1 63855347 DNZWUIFKZBFHCE-FQEVSTJZSA-N 414.469 3.977 0 50 HHAA Cc1nc(C(F)(F)F)nc(N2CCC(C[C@H]3CCCCO3)(C(=O)O)CC2)c1C 71776575 AJHHXEDHVONQPT-CQSZACIVSA-N 401.429 3.743 0 50 HHAA CCOc1ccccc1NC(=O)CS[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 101160352 VVPSAPYNZJKIAL-IBGZPJMESA-N 412.511 3.706 0 50 HHAA Cc1cccc(C[C@H](CNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C(=O)O)c1 237690542 AXJWBPLCGBITTM-QGZVFWFLSA-N 412.873 3.906 0 50 HHAA O=C(CCn1ccc2cc(Br)ccc21)N1CC[C@]2(O)CCCC[C@H]2C1 409412975 BWDPTYLFMJMUHW-OXJNMPFZSA-N 405.336 3.948 0 50 HHAA biogenic CC1(C)CN(C(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CCS1 434378404 SVDGPCZUHJIYGS-IBGZPJMESA-N 413.543 3.932 0 50 HHAA Cc1cc(C[C@H](C)NC(=O)NC[C@H](c2ccco2)N2CCCC2)n(-c2ccccc2)n1 448117037 UQOLBFBXCGRYIS-PGRDOPGGSA-N 421.545 3.841 0 50 HHAA CCc1nn(C)c(NC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)c1C 1506395946 PSGKJBCYBSYWSM-UHFFFAOYSA-N 403.548 3.535 0 50 HHAA Cc1c(C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cnn1-c1ccccn1 1506399437 NBUYEVZKKXFYNS-UHFFFAOYSA-N 404.449 3.611 0 50 HHAA Cc1cc(C)n(-c2cccc(CN3C[C@@H]4CC[C@H](C3)C(=O)N4Cc3cscn3)c2)n1 1615737221 PAIXSNOTVXBHLD-KNQAVFIVSA-N 421.570 3.569 0 50 HHAA COc1ccc2c(c1)c(C(=O)N1CCC[C@]3(CCc4cnc(C)nc43)C1)c(C)n2C 1704302782 CTHPENRLLMHDSE-DEOSSOPVSA-N 404.514 3.714 0 50 HHAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ccccc4-c4ccccc4F)[C@@H]2CC(=O)N13 1857712076 KRGUIALTJFZBJM-IMSXRSKXSA-N 408.473 3.691 0 50 HHAA C[C@@H](NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc(OCC(N)=O)cc1 1875261013 FBSLLFIBPWPXBG-VQIMIIECSA-N 420.513 3.682 0 50 HHAA Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCC(C)C)s3)CC2=O)cc1C 2100545183 IPYNAUNOBLWOCR-CQSZACIVSA-N 404.561 3.895 0 50 HHAA O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H](CCO)c2ccccc21 2325827817 RAYOGPMTKLBLTL-SECBINFHSA-N 422.753 3.839 0 50 HHAA CC1(C)CCc2c(sc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)c2C(=O)O)C1 2325829899 VRPMGZNRTFQUTA-GFCCVEGCSA-N 404.532 3.691 0 50 HHAA COC(=O)c1ccc(NC(=O)N2CCC[C@]23CCCN(c2ccc(C)cc2)C3=O)cc1 2356149705 RULPDKYRFGUDIB-DEOSSOPVSA-N 421.497 3.975 0 50 HHAA CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 667733 YAUDLMHSYCGSDA-UHFFFAOYSA-N 424.950 3.915 0 50 HHAA CC(=O)c1ccccc1NC(=O)[C@@H]1CC[C@@H](C(=O)Nc2ccccc2C(C)=O)S1 754717 RRLDZBRIQSJEPK-PMACEKPBSA-N 410.495 3.933 0 50 HHAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2CC)cc1 1122751 SJHXRRPFDDTNPC-UHFFFAOYSA-N 416.528 3.934 0 50 HHAA O=S(=O)(Nc1ccccc1Cl)c1cccc(S(=O)(=O)c2ccccc2)c1 1136457 RKNNZTOZAPYDHV-UHFFFAOYSA-N 407.900 3.974 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccc(C)cc2)cc1 1166972 GJECMTYBKGBVAU-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA Cc1cc(=O)oc2c(I)c(OCC(=O)c3ccccc3)ccc12 1216061 WAQYVKKLODDNLO-UHFFFAOYSA-N 420.202 3.968 0 50 HHAA CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 2237546 PDVGRNIFOABWRR-UHFFFAOYSA-N 407.289 3.753 0 50 HHAA Cc1nnc2n(-c3cccc(Cl)c3)c(=O)c3c4c(sc3n12)COC(C)(C)C4 2376390 NLZCAOAQXGWKEC-UHFFFAOYSA-N 400.891 3.908 0 50 HHAA CCc1cc(C)cc(CC)c1-c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2 3620800 MGOHCFMYLBAPRN-UHFFFAOYSA-N 400.519 3.732 0 50 HHAA biogenic,in-vitro CCOc1ccc(-n2c(SCC(=O)O)nc3sc4c(c3c2=O)CCCC4)cc1 4641932 SUWNHLRYNSHECH-UHFFFAOYSA-N 416.524 3.901 0 50 HHAA O=C(NC[C@@H]1COCCO1)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 12056345 RSTKYNUGHZKVKY-OAHLLOKOSA-N 406.360 3.659 0 50 HHAA O=S(=O)(c1ccccc1)n1cc(I)c2cc(Cl)cnc21 14401027 VZXZRNATZJUUQW-UHFFFAOYSA-N 418.643 3.531 0 50 HHAA in-vitro COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCc1ccncc1 14981396 XIMXRQADDGDBMR-UHFFFAOYSA-N 413.537 3.541 0 50 HHAA COc1cccc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1 15079771 JCMLENXIUNEDRW-OAQYLSRUSA-N 413.949 3.775 0 50 HHAA COc1ccc(-c2ncc(CN[C@@H]3CCCN(Cc4cccc(OC)c4)C3)cn2)cc1 20909067 CMUQREJUKUPBLL-JOCHJYFZSA-N 418.541 3.915 0 50 HHAA CC(C)(C)OC(=O)n1nc(Br)c2cc(I)cnc21 66054415 ZJYGWJIOZGJLEC-UHFFFAOYSA-N 424.036 3.582 0 50 HHAA in-vitro CCN(C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)C1CCCCC1 82092558 INLHNHFIXWLYCQ-QFIPXVFZSA-N 412.622 3.939 0 50 HHAA CCc1nc(CN(C)C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cs1 149734334 RLVKEXYDYWDNEL-UHFFFAOYSA-N 419.506 3.774 0 50 HHAA O=C(COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1)c1cccs1 239306129 GLQHCYADLDGXKN-XYNCURNNSA-N 405.475 3.567 0 50 HHAA CCOC[C@@H](C)CS(=O)(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 390832957 DYWZNTRVIKPWOK-IAGOWNOFSA-N 404.532 3.592 0 50 HHAA C=CC(=O)NCc1ccc(C(=O)NCc2ccnc(Oc3ccccc3F)c2)cc1 786001714 FGSYQAFFIXDOQM-UHFFFAOYSA-N 405.429 3.745 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccccc2F)CN(Cc2nc3c(s2)CNCC3)C1 952894934 VGQXUJOKXHAOKK-UHFFFAOYSA-N 411.550 3.698 0 50 HHAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCc4cccc(C)c4)CC3=O)sc2c1 1857698213 IMRLEZHDONVJAJ-INIZCTEOSA-N 409.511 3.673 0 50 HHAA O=C(N[C@H]1C[C@H](OCc2ccccc2)C1)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857713203 LDSDYSMUGXUPTC-BZSNNMDCSA-N 421.522 3.513 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3ccc(O)c(Cl)c3)C2)[C@@H]2CCCC(=O)N12 2356146621 NHINGQIJJCCNNA-NBMJBFSESA-N 404.938 3.616 0 50 HHAA CCOC(=O)c1sc(NC(=O)COc2ccc(C)cc2Br)nc1C 729983 DGCLRSJMDCDHNO-UHFFFAOYSA-N 413.293 3.717 0 50 HHAA CCCOC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 1801453 DKCQEAUBBKPVKX-HXUWFJFHSA-N 422.481 3.903 0 50 HHAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)COc2ncnc3ccccc23)C1 12027822 UGGQLSPCAJNEPA-MRXNPFEDSA-N 409.873 3.784 0 50 HHAA CCOc1cccc2c1O[C@@]1(C)[C@@H](C(=O)OC)[C@H]2NC(=S)N1c1ccc(C)cc1 245247957 ZQVCYOSNQIEPQB-FGSXEWAUSA-N 412.511 3.727 0 50 HHAA Cc1cc(=O)cc(O)n1CCCC(=O)N[C@@H](C)c1nc2ccccc2n1CC(C)C 888089595 QFAAAAYHTRRNFC-KRWDZBQOSA-N 410.518 3.526 0 50 HHAA O=C1NCCN1c1cccc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)c1 1506409364 ZGUGZMVLBLVLJQ-SGIRGMQISA-N 419.525 3.509 0 50 HHAA O=C1CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CCN1Cc1ccccn1 11786231 SNORZJNYRKPURC-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA O=C1CCN(Cc2ccc3c(c2)OCCO3)CCN1Cc1ccccc1C(F)(F)F 11966498 XUUSLUJEJVAFQF-UHFFFAOYSA-N 420.431 3.711 0 50 HHAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@@]1(Cc2ccco2)CCC(=O)N1 12098638 ZNXPLVPMXFJKBW-HXUWFJFHSA-N 408.420 3.929 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)Nc2ccccc2C(=O)OC)C1 12210335 FCLFPAHODRKFLW-XMMPIXPASA-N 424.497 3.893 0 50 HHAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(OC)cc3OC)oc2C)C1 12298875 JASKYEOPUKLTNW-QGZVFWFLSA-N 415.534 3.748 0 50 HHAA O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCOc2ccccc2C1 12372979 DVQCZDBNEPNXLR-UHFFFAOYSA-N 405.498 3.989 0 50 HHAA O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCCC[C@@H]1CO 12576193 POLLRBDTDATIEU-HSZRJFAPSA-N 422.569 3.760 0 50 HHAA COc1cc(C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC 169678594 DEQJYBTXEMLYSP-GERLZGMPSA-N 405.450 3.607 0 50 HHAA Oc1nnc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@H]2c1ccc(Cl)cc1 10232688 IZNBHKJXRDNIPF-INIZCTEOSA-N 412.240 3.837 0 50 HHAA COc1cc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)cc(OC)c1OC 881681 AJQKMHCHEFOGKP-UHFFFAOYSA-N 417.512 3.757 0 50 HHAA O=C(NC(=S)Nc1ccccc1I)c1ccccc1F 1142209 NEKHIWHHBCNDLK-UHFFFAOYSA-N 400.216 3.557 0 50 HHAA COc1ccccc1CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 1172607 NXTXCGMAZRSLSB-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA CCc1ccccc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O 2852307 CZRDPKMMFPKFGH-UHFFFAOYSA-N 400.422 3.673 0 50 HHAA CN1CCC(N2CCC(CN(Cc3ccncc3)C(=O)c3ccccc3)CC2)CC1 11662215 ICGYSLWIWFZWSZ-UHFFFAOYSA-N 406.574 3.530 0 50 HHAA O[C@H](COc1ccccc1CNC(C1CC1)C1CC1)CN1CCc2ccccc2C1 12387156 UACQWMSMVCHSEV-DEOSSOPVSA-N 406.570 3.763 0 50 HHAA COc1ncc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)cn1 12596614 OBSPHOBRTDVXET-XMMPIXPASA-N 408.546 3.737 0 50 HHAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2=CCCC2)CC1 12715878 ZWBXYNOZLPSDKN-UHFFFAOYSA-N 408.502 3.565 0 50 HHAA COc1cc(NC(=O)CN2CCN(c3ccc(C)cc3)[C@@H](C)C2)c(OC)cc1Cl 14216304 XGCKBXJOWLLYNT-INIZCTEOSA-N 417.937 3.815 0 50 HHAA CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2nccs2)CC1)c1ccccc1 14970245 NWTZJCLZRFZZMN-FQEVSTJZSA-N 411.531 3.503 0 50 HHAA O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1 14993510 KOYGLJGVSMRCAA-SFHVURJKSA-N 400.906 3.782 0 50 HHAA Cc1ccc(CN2CCC(CN(C)Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)o1 19340459 QRGCTMZONTZVTL-UHFFFAOYSA-N 422.573 3.730 0 50 HHAA COc1ccccc1N1C[C@@H]2C[C@@H](c3cccn3-c3cccnc3)N3CCC[C@@]23C1=O 19812486 OIOLYTDSNIQXKQ-PZGSVQSZSA-N 414.509 3.823 0 50 HHAA O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCc1c[nH]c2ccccc12 40391491 JDPKWXLHBXINMM-UHFFFAOYSA-N 424.439 3.969 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)CC2)cc1 100840429 YJFXTAYMXCGOJD-XXBNENTESA-N 418.603 3.823 0 50 HHAA CCCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 170623981 SBSCROVFBCSJMU-UHFFFAOYSA-N 402.560 3.912 0 50 HHAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2)C1 239321993 IZWKUHPDJRUMEN-ZUMYOTAESA-N 418.603 3.908 0 50 HHAA C[C@H](Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1)C(=O)c1ccccc1 245227718 MBZQPGVSSILVKD-MPIFPGCRSA-N 413.473 3.894 0 50 HHAA CCc1cc2c3c(c1)C(CN1CCN(c4ccccc4)CC1)=CC(C)(C)N3C(=O)C2=O 253495856 SYMMZZAGZBJEQQ-UHFFFAOYSA-N 415.537 3.776 0 50 HHAA O=C(N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cccn1Cc1cccs1 328589583 DOAUODHSOYDXSB-LJQANCHMSA-N 407.539 3.561 0 50 HHAA Cc1ccc2nc(CCC(=O)N[C@H]3CCCN(Cc4cccc(O)c4)C3)[nH]c2c1C 828013149 WWLRUZLYUUILBK-IBGZPJMESA-N 406.530 3.599 0 50 HHAA CCCCC(=O)N1CCc2cc3ccc2[C@H]1c1cccc(c1)OCCCNC(=O)CO3 952861757 GSAJFYNFPUOCMZ-RUZDIDTESA-N 422.525 3.628 0 50 HHAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)o2)c1C 952967328 AXCMJHNLXIFEGN-UHFFFAOYSA-N 414.462 3.654 0 50 HHAA CC[C@H]1CN(C(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)C[C@@]2(CCCOC2)O1 1875262353 XZJKOKNLJSQLGM-MGPUTAFESA-N 423.435 3.691 0 50 HHAA COc1cnc(NC(=O)NCc2ncc(-c3cccc(Br)c3)o2)s1 1875328910 RUWMANMKCYFRHO-UHFFFAOYSA-N 409.265 3.891 0 50 HHAA C[C@H](OC(=O)c1ccc(=O)n(-c2ccc(F)cc2)c1)C(=O)c1c(F)cc(F)cc1F 2325747530 FHMCMLFHAIUTME-NSHDSACASA-N 419.330 3.822 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)cc1 652436 DRYNNGBUJCIXDG-RTBURBONSA-N 416.499 3.625 0 50 HHAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@@H](C)O[C@H](C)C4)c3n2)cc1 815395 CEWIKACZNNDERF-CHWSQXEVSA-N 416.428 3.592 0 50 HHAA O=c1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc2n1OCc1c(F)cccc1F 1110360 MXLWDUGYNXCXBS-UHFFFAOYSA-N 414.795 3.862 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1 1122426 AAQVEBBIFDPQSU-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)c(C)c1 1196639 LNQQVICSVUVWRA-UHFFFAOYSA-N 415.540 3.930 0 50 HHAA Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=S)NC(=O)c1cccs1 2865893 RDMOHLBKAUUVHF-UHFFFAOYSA-N 414.541 3.658 0 50 HHAA CCN(CC)CCn1c(NC(=O)c2cc(C)nc3onc(C)c23)nc2ccccc21 11560806 AUJSPEWSMRSOQS-UHFFFAOYSA-N 406.490 3.783 0 50 HHAA O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)CC1 11842465 CLWBAPYLMWMCSY-NRFANRHFSA-N 422.500 3.686 0 50 HHAA CN(C[C@@H](O)COc1ccccc1CNCCOc1ccccc1)C1CCCCC1 12074734 QIIBTCDXMXLILI-HSZRJFAPSA-N 412.574 3.859 0 50 HHAA CC(=O)c1cc(C(=O)NC[C@H]2Cc3cc(Cl)cc(-c4cnccn4)c3O2)cs1 12079021 ZVPSFNYZNKZBHA-OAHLLOKOSA-N 413.886 3.795 0 50 HHAA COCC(=O)NC[C@@H]1CCC2(CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)O1 12098805 BIOCVYBKBNRCHN-QFIPXVFZSA-N 420.553 3.534 0 50 HHAA CN(CC[C@H](O)c1ccccc1)C(=O)c1cc(COc2cccc3cnccc23)on1 12302894 XGLRKXVVYQVGJW-QFIPXVFZSA-N 417.465 3.998 0 50 HHAA COc1ccc(CC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3Cl)C2)cc1 12717808 QRLTYXXCRWYAEM-KRWDZBQOSA-N 400.906 3.560 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 13593611 WRYLXRKPSCZQGN-HNNXBMFYSA-N 400.441 3.673 0 50 HHAA Cc1ccsc1CN1CCC([C@@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1 14888278 WUQKOJUJTIPNCN-XMMPIXPASA-N 423.582 3.746 0 50 HHAA CC(C)(C)c1ccc(CN2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 22752191 KYMLZLFMHGFLCI-UHFFFAOYSA-N 423.586 3.745 0 50 HHAA COc1cccc(-n2c(/C=C3/C(=O)N(C)c4ccccc43)nc3ccccc3c2=O)c1 32625308 SKRKGGYRXMIEKW-HMMYKYKNSA-N 409.445 3.911 0 50 HHAA CC(C)CC(=O)[C@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1 55281410 ZSEUNAPSYCWMQA-IBGZPJMESA-N 423.623 3.694 0 50 HHAA Cc1cc(=O)cc(C(=O)N(C)C[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)o1 95530307 VUCRVSURLPIADY-GOSISDBHSA-N 402.922 3.628 0 50 HHAA O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 245227701 LZILBDLXYOPFAT-HQZQWKOLSA-N 402.425 3.636 0 50 HHAA COc1ccccc1CCNc1nc(CN2CCCC[C@@H]2CO)nc2ccccc12 299757762 MWSANMKQXMOWCM-LJQANCHMSA-N 406.530 3.640 0 50 HHAA O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C21CC1)c1cc(-c2ccc(F)cc2)cc(-n2cnnn2)c1 826596042 KZSDMONQRFIEJT-NNMXDRDESA-N 415.472 3.801 0 50 HHAA CCc1ccc([C@H]2CCCN(C(=O)[C@@H](C)NC(=O)c3n[nH]c4ccccc34)C2)cc1 1449163277 NMIJYCYWABNWEP-APWZRJJASA-N 404.514 3.650 0 50 HHAA O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1cnc(C2OCCO2)s1 1875362837 VSKKZXCYHOOKKX-UHFFFAOYSA-N 411.468 3.508 0 50 HHAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1c(OCc2ccccc2)c(=O)ccn1C 1940197136 UIBHXFOLRLBUHK-NRFANRHFSA-N 418.493 3.780 0 50 HHAA C[C@]1(O)CCOC2(CCN(C(=O)c3ccc(OCc4ccccc4F)cc3)CC2)C1 2356158363 ZANJCTVSUPGFOJ-QHCPKHFHSA-N 413.489 3.941 0 50 HHAA COc1ccc2ccc(OC)c(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c2c1 665099 DQSZVSBAWIWNHF-UYRXBGFRSA-N 408.454 3.652 0 50 HHAA Cc1cc(Br)c2c(c1)[C@@](O)(CC(=O)c1ccc(Cl)s1)C(=O)N2 1074330 FZDJRQXYVRKTKC-HNNXBMFYSA-N 400.681 3.885 0 50 HHAA CCCC(=O)Nc1sc(C(=O)NCCc2ccccc2)c(C)c1C(=O)OCC 2880017 AAHIFJFKSLFGBM-UHFFFAOYSA-N 402.516 3.944 0 50 HHAA C/C=C(\C)CN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)C(C)C)[C@@H]2OCCOC 12099921 NWYAFFLJGVZAHY-PBBAFTKJSA-N 414.590 3.845 0 50 HHAA Cc1occc1C(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 12597356 AMCVAPBBVGXPLY-UHFFFAOYSA-N 422.485 3.669 0 50 HHAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CCN1CCCCC1=O 14981154 XVOZEMMNYNNLGF-LJQANCHMSA-N 408.546 3.713 0 50 HHAA O=C(c1ccc2c(c1)OCO2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19799171 PHNMEQIKGBZCAU-UHFFFAOYSA-N 400.478 3.963 0 50 HHAA CN1CCC(N2CCN(Cc3cccc4c3oc3ccccc34)C[C@@H]2CCO)CC1 19839030 YWLRCCWAIUOKQH-NRFANRHFSA-N 407.558 3.549 0 50 HHAA Cc1nc2sccn2c1CN1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 20512105 DSWAEPPSBOJJAM-HXUWFJFHSA-N 413.566 3.630 0 50 HHAA O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ccn1Cc1ccccc1Cl 40391392 FIZQCNBAESQXRN-UHFFFAOYSA-N 405.820 3.947 0 50 HHAA CCS(=O)(=O)Nc1cccc(N2CCC(N[C@H](C)Cc3cccs3)CC2)c1 299782196 FUDPKVAXFFAPGQ-MRXNPFEDSA-N 407.605 3.699 0 50 HHAA CCCc1cc(=O)n2nc(NC[C@H](c3ccc(Cl)cc3)n3cccn3)sc2n1 301595653 VYAHUVGJLLKFAJ-MRXNPFEDSA-N 414.922 3.655 0 50 HHAA Cc1nc(CCC(=O)N2CC[C@@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)n[nH]1 426518329 NGAFXTWLHXTFEP-XMMPIXPASA-N 409.578 3.684 0 50 HHAA Cc1cccc(-n2nnc(C(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)c2C)c1 731053608 UZJITPGRBRTVRQ-JOCHJYFZSA-N 408.477 3.609 0 50 HHAA Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3nncn3C3CCCCC3)c2)on1 825296989 CDHXUZWYJFMTIU-UHFFFAOYSA-N 415.519 3.534 0 50 HHAA CCN(Cc1cnn(CC)c1)C(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 952991443 RWIURSFHUKFHKX-UHFFFAOYSA-N 412.441 3.535 0 50 HHAA O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 1226548736 UTOPCKXUQIOHSS-GSPCLOLRSA-N 422.525 3.770 0 50 HHAA CCNC(=O)N1CC[C@H](NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)C1 1478135436 ZZWVGMWBKCDNBF-MDNUFGMLSA-N 420.557 3.951 0 50 HHAA CC(=O)NCc1cccc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)c1 1875263663 RCYODISFTSGRNN-HUUCEWRRSA-N 400.548 3.509 0 50 HHAA CC[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1nn[nH]n1 2325730439 CNZBMLVNPBISHG-KRWDZBQOSA-N 410.428 3.826 0 50 HHAA CNC(=O)Nc1cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)ccc1F 2325878145 GJAMOOIPAVHSSG-MRXNPFEDSA-N 420.444 3.736 0 50 HHAA CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCN(C(=O)OCC)C2 837682 BQUPECHPZUKLOY-UHFFFAOYSA-N 420.462 3.831 0 50 HHAA CCC1=NN(C(=O)c2cccc(OC)c2)[C@@](O)(c2ccc(Br)cc2)C1 840544 AWTBOGJBCQYRDH-IBGZPJMESA-N 403.276 3.915 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 951140 FDNXAMHYGLZDBF-UHFFFAOYSA-N 400.390 3.511 0 50 HHAA Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)NC3CCCC3)nc2s1 4384143 JVMMVIQOEAYLGU-UHFFFAOYSA-N 403.529 3.559 0 50 HHAA Cc1nccn1CCC(=O)N(C)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 11663371 IWAHKNGKXRPBQA-HXUWFJFHSA-N 402.970 3.648 0 50 HHAA Cn1ccnc1CN1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 11819877 CPPMPRODOVZIMT-UHFFFAOYSA-N 404.942 3.645 0 50 HHAA CCc1ccc(CN2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)o1 11841178 JPUNGCKWGBQVGH-UHFFFAOYSA-N 420.937 3.915 0 50 HHAA O=C(CC[C@@H]1CCCN(C(=O)CCc2ccccn2)C1)NCc1ccc(F)c(F)c1 11934088 ULMXNKQAZAZYRR-KRWDZBQOSA-N 415.484 3.628 0 50 HHAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[C@H](OCc2ccccc2)C1 12073652 VNFARCZVCTXBAN-QFIPXVFZSA-N 404.514 3.732 0 50 HHAA O=C(CC1CCCCC1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccc2)CC1 12099946 BAPRAEWFMHPAMR-QHCPKHFHSA-N 423.601 3.934 0 50 HHAA CC(=O)c1cccc(OCc2cc(C(=O)N(C)CCc3nc4ccccc4[nH]3)no2)c1 12446699 ANJPEKKZDXXANM-UHFFFAOYSA-N 418.453 3.647 0 50 HHAA Cc1noc(C)c1CCC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 12589408 PGZUBKVDHZOKKM-UHFFFAOYSA-N 411.546 3.901 0 50 HHAA O=C(NC[C@H]1CCCN(C(=O)NCCc2ccccc2)C1)c1cc2ccccc2[nH]1 12707801 ZKOAEKNJXBXZRK-LJQANCHMSA-N 404.514 3.562 0 50 HHAA O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(C(=O)c2ccncc2)CC1 15066330 GLXOOUXUURUBPT-UHFFFAOYSA-N 402.454 3.760 0 50 HHAA O=C(CCn1cccn1)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 15073096 ONNHZAKHNMOQMM-JOCHJYFZSA-N 409.578 3.742 0 50 HHAA O=C(CSCc1cccc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20149246 OCRAUQYIYLWOFX-UHFFFAOYSA-N 418.946 3.646 0 50 HHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c1 43000163 CIAVUDHLEUWCPN-XMMPIXPASA-N 418.585 3.805 0 50 HHAA CC[C@@H]1CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2cc(OC)ccc2O1 55343257 BHTFDWAMVUJYQX-HXUWFJFHSA-N 407.514 3.666 0 50 HHAA COc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCCCCC3)c2)cc1OC 71479404 MJVGSDJHJIUESS-UHFFFAOYSA-N 419.499 3.634 0 50 HHAA COc1cc(NC(=O)c2coc(CNC(=O)OC(C)(C)C)c2)ccc1NC(C)=O 170602157 FGZYWEDXDJEZJU-UHFFFAOYSA-N 403.435 3.524 0 50 HHAA CN(Cc1cccc(Cl)c1)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 170607841 QEKQWMLHHQDTBA-BGYRXZFFSA-N 423.900 3.890 0 50 HHAA CCN(C(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1)c1ccccc1 244852496 UTMBIBPNLCYUTB-ZCLUNYJNSA-N 404.466 3.815 0 50 HHAA CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc(F)ccc1Br 252479351 BDJIAUPIWVARLP-LLVKDONJSA-N 403.292 3.964 0 50 HHAA O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)[C@@H]1CC(=O)N(Cc2ccco2)C1 252500964 UAJXSCDUYUFGRW-ACJLOTCBSA-N 411.889 3.957 0 50 HHAA CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CC=CCC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 253664430 DDVBPZROPPMBLW-SDLUEBNPSA-N 421.559 3.860 0 50 HHAA in-vivo Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)c1 1529105249 ZZSCSUTVQJMRNS-YLJYHZDGSA-N 400.519 3.634 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC1)OCC2 1704337817 GLLNRQIGNXRIAI-UHFFFAOYSA-N 403.482 3.790 0 50 HHAA COc1c(C)cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)cc1C 1857717655 REEBAJBYHGXQMR-QHAWAJNXSA-N 414.933 3.910 0 50 HHAA O=C(COc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 791033 HCOVGIUHRNGGGY-UHFFFAOYSA-N 417.874 3.553 0 50 HHAA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccc(C)cc3)C2)cc1OC 890381 FHIWYPNDYDZZDC-IBGZPJMESA-N 410.470 3.945 0 50 HHAA COc1ccccc1OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1162481 KJDCXRBSVZQKEV-UHFFFAOYSA-N 409.891 3.742 0 50 HHAA COc1ccc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)c(OC)c1 1171667 FFZVWRUOZBTKJY-HXUWFJFHSA-N 424.482 3.722 0 50 HHAA COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@@](C)(O)C2 2388377 ZWRRJEICIPUPHZ-SPSFWMDKSA-N 416.470 3.602 0 50 HHAA biogenic Cn1cc(I)c(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)n1 6828113 ATLITVYLOSRLRE-UHFFFAOYSA-N 410.259 3.543 0 50 HHAA COc1cc(CC(=O)N[C@H]2CCCN(C3CCCCCC3)C2)cc(OC)c1OC 11817410 LYWYIFOIURSXPY-SFHVURJKSA-N 404.551 3.558 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1cccc(OC)c1)C2 14733157 ARIKZDATTKTTEK-LJQANCHMSA-N 410.562 3.575 0 50 HHAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)[C@H]3CCCN(C(N)=O)C3)cc12 15064604 ZQXNHYOJRNNGEM-INIZCTEOSA-N 408.477 3.689 0 50 HHAA CCCc1cc(C(=O)OC)c(NC(=O)c2cc3cccc(OC)c3oc2=N)s1 17081849 GBVLUQGTAZITSH-UHFFFAOYSA-N 400.456 3.974 0 50 HHAA COc1ccc([C@@H](CC(=O)N2CCC(N3CCOCC3)CC2)c2ccccc2)cc1 19536284 ZTQSWFJYUMRDTB-DEOSSOPVSA-N 408.542 3.540 0 50 HHAA CC(=O)Nc1cc(CN[C@H](C)CCc2ccc(O)cc2)cc(C(=O)N2CCCC2)c1 19740720 ZKDOPRIGNNTIOM-QGZVFWFLSA-N 409.530 3.698 0 50 HHAA CN1CCN(C(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 19781951 UYNXLXJNKOKCHY-SILNSSARSA-N 411.571 3.591 0 50 HHAA COc1cccc(-c2cc(C(=O)O)c3c(=O)nc(S)n(-c4cccc(C)c4)c3n2)c1 20615698 QKRUHTSMRHRTEL-UHFFFAOYSA-N 419.462 3.752 0 50 HHAA CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F 39059267 YZDJQTHVDDOVHR-UHFFFAOYSA-N 413.833 3.877 0 50 HHAA in-vivo CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Oc2ccccc2)cc1 101222356 SADXMMXPSUCKQC-XGHQBKJUSA-N 414.527 3.550 0 50 HHAA CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@H](C)COC)c3N2)cc1 239174259 PQBDLMRMKMBCDP-DQYPLSBCSA-N 410.440 3.871 0 50 HHAA C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 239305948 GFWDVHDPAHYDLP-IKJXPLMSSA-N 410.942 3.512 0 50 HHAA COc1ccc(-n2cccn2)c(CN2CCCN(C3Cc4ccccc4C3)CC2)c1 824628611 PTFBKOPAMQHXGS-UHFFFAOYSA-N 402.542 3.556 0 50 HHAA O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCC[C@@H](c2nc[nH]n2)C1 952969077 AVFSATKIIVIBSV-MRXNPFEDSA-N 400.442 3.542 0 50 HHAA O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 1226548734 UTOPCKXUQIOHSS-BXXSPATCSA-N 422.525 3.770 0 50 HHAA c1ccc(Cn2cc(-c3nc(COc4ccccc4)nn3[C@@H]3CCOC3)cn2)cc1 1772810180 JYBKLGAWDKLTBT-HXUWFJFHSA-N 401.470 3.730 0 50 HHAA Cc1cccc(OC2CN(C(=O)[C@@H]3CC(=O)N(c4nc5ccc(C)cc5s4)C3)C2)c1 1857715325 MLBNNUSUJINDHM-MRXNPFEDSA-N 421.522 3.556 0 50 HHAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCc1ccc(CO)cc1 1857727961 HJPPGLNIWKGQRH-KRWDZBQOSA-N 413.905 3.896 0 50 HHAA COc1cc(OC)cc(-n2nnnc2CN(C)c2nc3c(C)cc(C)cc3s2)c1 2325841398 SBHYCSDERHFJNL-UHFFFAOYSA-N 410.503 3.542 0 50 HHAA O=C(C[C@@H](Cc1ccccc1)C(=O)O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 2325877664 WWQYWBXVWBIBLK-OFNKIYASSA-N 416.477 3.816 0 50 HHAA COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccc(C)cc1 1122257 YDRFAFFONINRRS-UHFFFAOYSA-N 413.477 3.848 0 50 HHAA CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)c(F)c2)ccc1O 1159122 WXUFGEJVBUHLFX-GOSISDBHSA-N 419.453 3.501 0 50 HHAA CC(=O)Nc1ccccc1SCC(=O)N1CCC2(CC1)OCCc1ccsc12 2356158878 CTESGUQYOBHMPM-UHFFFAOYSA-N 416.568 3.889 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2cccc(Cl)c2Cl)cc1 2879279 VJKUDEQOQUDWBA-UHFFFAOYSA-N 413.326 3.776 0 50 HHAA CCCC[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)O 2999491 MIFKRJOXBSFIMR-GOSISDBHSA-N 424.526 3.786 0 50 HHAA biogenic,in-vitro O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 4953722 XVFXRRBPBDCTPH-HIHZZFLASA-N 417.347 3.887 0 50 HHAA CCOc1ccc(CN2CCN(Cc3cccc4cnccc34)C[C@H]2CCO)cc1 104625538 MXOZGQXHQQEDIK-HSZRJFAPSA-N 405.542 3.702 0 50 HHAA C[C@@H]1CN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)CCN1C 55415029 WVNCOZODQNVPJF-GFCCVEGCSA-N 408.449 3.858 0 50 HHAA O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 58135952 MRWCTSDYTYUYNU-QHCPKHFHSA-N 404.489 3.514 0 50 HHAA O=C(NCCc1nccs1)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67856787 GBZBRALDIVDFFT-UHFFFAOYSA-N 410.543 3.558 0 50 HHAA C[C@@H](c1ccncc1)N1CCC(NC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 439736984 WPXPKCNVJAJYDE-SFHVURJKSA-N 411.521 3.611 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cc2cc(C3(O)CCN(C4CCCC4)CC3)ccc2o1 14993465 WCQBNAPUBXLKFS-FQEVSTJZSA-N 412.530 3.568 0 50 HHAA Cc1c(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)cnn1-c1cc(F)ccc1Cl 225414266 BSRKOWKXVWEBEG-DNVCBOLYSA-N 404.917 3.968 0 50 HHAA biogenic COc1cc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc(OC)c1O 253403112 GXSXNKJHXSTFDU-MRXNPFEDSA-N 420.417 3.787 0 50 HHAA biogenic CSc1ccc(C[C@]2(CCC(=O)N3CCc4ccccc4C3)CCC(=O)N2)cc1 299782836 UCPPIVGFWHHVLR-XMMPIXPASA-N 408.567 3.965 0 50 HHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)ccc1F 952984726 AFFSDQXNKFNFNJ-YUMYIRISSA-N 421.516 3.815 0 50 HHAA O=C(c1ccccn1)N1CCC(C(=O)N2CCCC[C@@H]2CCc2ccccc2)CC1 952990477 QRTPPGHHZOAFIP-JOCHJYFZSA-N 405.542 3.948 0 50 HHAA COc1ccc(COC(=O)c2cn3ccc(C)cc3n2)c(Br)c1OC 170644634 IVGYGQOSWNBSIK-UHFFFAOYSA-N 405.248 3.779 0 50 HHAA CCc1c(C(=O)NCCc2nc3ccccc3[nH]2)c(=O)cc(C)n1Cc1cccs1 11912215 IGQZBQIEMWXDDX-UHFFFAOYSA-N 420.538 3.678 0 50 HHAA CCCCn1c(CN2CCCC[C@@H]2CCO)cnc1S(=O)(=O)CCCC(C)C 12317360 DINGQWOQLUWMLU-LJQANCHMSA-N 413.628 3.630 0 50 HHAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2ccccc2OC)CC1 12705617 GJCICZCYEDYZSA-UHFFFAOYSA-N 411.498 3.732 0 50 HHAA CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CNCc1ccccn1 14881763 LCCDCCDGCHNQGA-UHFFFAOYSA-N 419.510 3.857 0 50 HHAA Cc1cc(C(=O)NC[C@@H](C)Oc2cccc(CN(C)Cc3ccsc3)c2)n(C)n1 14959023 KTLAPJWRTHQCGA-QGZVFWFLSA-N 412.559 3.619 0 50 HHAA CO[C@H](C(=O)Nc1ccnn1C1CCN(CCCSC)CC1)c1ccccc1 14970952 HBNROBDMIYBIGE-FQEVSTJZSA-N 402.564 3.599 0 50 HHAA COC(=O)[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F 14981071 MSLVEYRXVJFZDN-NRFANRHFSA-N 409.461 3.824 0 50 HHAA O=C(c1cccs1)[C@@H]1CCCN(C(=O)c2cn(CCCc3ccccc3)nn2)C1 15064061 YEEPKHZOTRRZBF-GOSISDBHSA-N 408.527 3.708 0 50 HHAA CCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 16603098 IJEICTKEHJGNMJ-UHFFFAOYSA-N 411.483 3.549 0 50 HHAA O=C([C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)N1CCC(Nc2cccnc2)CC1 1875255707 HZGNPLWVXHGXMP-IBGZPJMESA-N 419.312 3.985 0 50 HHAA COc1ccc(CCN2C(=O)c3ccccc3[C@]2(O)Cc2ccccc2)cc1OC 892412 OXCDRVNXONCNKZ-RUZDIDTESA-N 403.478 3.790 0 50 HHAA COc1ccc(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)cc1 623850 UUVGBZCAFLGQMI-SFHVURJKSA-N 424.522 3.630 0 50 HHAA O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NC1CCCCCC1 1132112 MCNBKNOFBAUHMV-UHFFFAOYSA-N 404.507 3.860 0 50 HHAA COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc12 2184791 ZUWGOLLTNKVNEK-UHFFFAOYSA-N 423.874 3.999 0 50 HHAA CCn1nc(C)c(NC(=O)Cn2nc(C(F)F)c(Br)c2C2CC2)c1C 2786878 QRKATGJQAAXOHS-UHFFFAOYSA-N 416.270 3.933 0 50 HHAA CCOC(=O)c1ccc(NC2=C[C@](C)(C(=O)OCC)N(c3ccccc3)C2=O)cc1 2959616 SLLHYJKEHVXCJI-HSZRJFAPSA-N 408.454 3.528 0 50 HHAA O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl 3816311 WWONFUQGBVOKOF-UHFFFAOYSA-N 415.117 3.936 0 50 HHAA investigational Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 12192839 IYFUYGMCDZTTEV-OAQYLSRUSA-N 420.532 3.952 0 50 HHAA Cc1cc(CNC(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C2CC2)on1 12217937 QOKWFBSDJYHNMX-UHFFFAOYSA-N 420.498 3.803 0 50 HHAA CCCNC(=O)c1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c2ccccc12 12411141 PKRZPYMWLRNGDN-UHFFFAOYSA-N 411.889 3.742 0 50 HHAA biogenic,in-vitro COc1ccc(CN(C)C(=O)c2cn(Cc3cccc4ccccc34)nn2)cc1OC 12438343 JSUSWMPUEBXSLM-UHFFFAOYSA-N 416.481 3.769 0 50 HHAA CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCCc1c[nH]c3ccccc13)C2 14746811 HYCVOVFSSVDFIH-IBGZPJMESA-N 419.573 3.700 0 50 HHAA Cc1ccccc1CN1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 19143830 HHYWISDZPYYVPE-QFIPXVFZSA-N 406.574 3.731 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc(Cl)ccc1OC 84382921 PSONQOZXDSAARP-SFHVURJKSA-N 402.903 3.842 0 50 HHAA O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)[C@H]1CC(c2cc(F)ccc2F)=NO1 241644592 PRZNALJFJMOSOL-RVHYNSKXSA-N 400.425 3.742 0 50 HHAA CCOc1nc2cc(C(=O)OCC[C@@H]3CCCCN3C(=O)c3cccn3C)ccc2[nH]1 241884817 SYBIOHZOUVQMSL-KRWDZBQOSA-N 424.501 3.542 0 50 HHAA O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCCC1=CCCCC1)C2)c1ccncc1 299783768 YENBGRRIQHTGAC-MRXNPFEDSA-N 424.526 3.542 0 50 HHAA C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1 390832722 QRGKFTWWAFDMFO-DOTOQJQBSA-N 421.463 3.987 0 50 HHAA CC[C@H](NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)c1cnn(C)c1 426389622 KTEJXVNQOFTRNT-IBGZPJMESA-N 413.547 3.526 0 50 HHAA O=C1CC[C@H](C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)n2cccc21 426945684 OXPVYJNXWXBZKY-JOCHJYFZSA-N 411.465 3.951 0 50 HHAA Cc1ccc2nc(CCC(=O)N[C@@H]3CCCN(Cc4cccc(O)c4)C3)[nH]c2c1C 828013150 WWLRUZLYUUILBK-LJQANCHMSA-N 406.530 3.599 0 50 HHAA C[C@H]1CCc2c(sc3nc(COC(=O)c4nnc(O)c5ccccc45)nc(O)c23)C1 952961891 RRHWUYJZPUFCLM-JTQLQIEISA-N 422.466 3.528 0 50 HHAA COc1ccc(NC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)cc1C(=O)N(C)C 952990940 NGLDMTIMGXCVFP-OAQYLSRUSA-N 413.493 3.702 0 50 HHAA Cn1c(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)cc2cc(C(F)(F)F)ccc21 1272212957 TWQLJVZPXXMRTJ-INIZCTEOSA-N 422.451 3.607 0 50 HHAA Cc1ccccc1SC1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)CC1 1506413315 IQPJKXBMVDBMNJ-LJQANCHMSA-N 409.555 3.522 0 50 HHAA CN(CCC1CCOCC1)C(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857700056 KUDPHCBSVGBLDD-INIZCTEOSA-N 405.926 3.973 0 50 HHAA CC(C)c1ccc(S(=O)(=O)Cc2ccoc2C(=O)OCCc2cncn2C)cc1 1875254320 FLNUDEDBSVXJLN-UHFFFAOYSA-N 416.499 3.510 0 50 HHAA COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1 1142171 NBCJAJJNMZAVKG-UHFFFAOYSA-N 417.494 3.864 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2OC)sc(C(C)=O)c1C 1162321 VAHLZDJSBIWWPX-ZDUSSCGKSA-N 405.472 3.850 0 50 HHAA Cc1ccc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 2981857 SRMFNIKYRNXVDR-ACSPXDACSA-N 412.461 3.521 0 50 HHAA CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4704849 GAYGKXGNPMYPPR-UHFFFAOYSA-N 406.935 3.942 0 50 HHAA O=C(CCc1ccccc1O)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 4867560 OVRJFIOBVJSEKT-GOSISDBHSA-N 412.795 3.866 0 50 HHAA CC(=O)N1CCCN(C(=O)C[C@@H](c2cccc(Cl)c2)c2ccccc2O)CC1 12577338 JOAIIXGYDRLVFH-FQEVSTJZSA-N 400.906 3.648 0 50 HHAA CN1CCC(N2C[C@@H]3C[C@@H](c4ccccc4-c4ccco4)N4CCC[C@@]34C2=O)CC1 14949555 YPGJSKYYPRCBRE-PZGSVQSZSA-N 405.542 3.779 0 50 HHAA CN(Cc1ccccc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 14964122 LFEYNHGUMDTGQU-QHCPKHFHSA-N 401.510 3.814 0 50 HHAA COc1cccc(NC(=O)CCC2CCN(S(=O)(=O)c3cc(C)cs3)CC2)c1 15076231 GDAXTWLRIJCCHY-UHFFFAOYSA-N 422.572 3.885 0 50 HHAA O=S(=O)(NCc1ccccc1Br)c1ccc(Br)cc1 17083112 GJGBOONCTDTAKF-UHFFFAOYSA-N 405.111 3.690 0 50 HHAA CC(C)CN(C)C(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 72430240 LMYCAWMMTYZXMT-UHFFFAOYSA-N 412.921 3.954 0 50 HHAA CC(C)Cn1c(CC2(CC(=O)N3C[C@@H]4CC[C@H](C3)N4)CCCC2)nc2cccnc21 77323701 LZHKIRKAQVFFFH-KDURUIRLSA-N 409.578 3.543 0 50 HHAA O=C1N[C@H](c2c(F)cccc2Cl)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 100736550 BFDBJKZLOJVEMP-YWPYICTPSA-N 422.787 3.645 0 50 HHAA O=C1[C@H]2[C@@H](c3ccc(F)cc3)N3CCCN3[C@H]2C(=O)N1c1c(Cl)cccc1Cl 136840040 WBFBOAWLYBFSTP-LZLYRXPVSA-N 420.271 3.668 0 50 HHAA Cc1cc(C)c2c(OCC(=O)Nc3cccc(N4CCC(C)CC4)c3)nn(C)c2n1 170635237 AOCWZBLNBDZDMD-UHFFFAOYSA-N 407.518 3.839 0 50 HHAA O=C(Nc1cccc(Cl)c1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 239377866 ODFVDSNWDMELHF-WPCMGHOJSA-N 422.912 3.921 0 50 HHAA CCC(=O)N(c1nnc(S[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1)C1CC1 242048144 VTFUGOBSIMESFP-HCZIRCDUSA-N 422.620 3.865 0 50 HHAA COc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)CC2=O)cc1 409415141 UYHSWGJPPXJSAK-YCRPNKLZSA-N 403.482 3.723 0 50 HHAA Cc1cccnc1CN1CCN(Cc2ccccc2OCCN2CCC[C@H](C)C2)CC1 822413169 LNQKWRSWCYBUCL-QFIPXVFZSA-N 422.617 3.819 0 50 HHAA COc1ccc(-c2nc(-c3cc4cccc5c4n(c3=O)CC5)n(O)c2C)cc1OC 824607227 VFKDJPCSYUCKOW-UHFFFAOYSA-N 403.438 3.651 0 50 HHAA Cc1ccc(NC(=O)c2cc(-c3ccccc3)n3cnc(C(N)=O)c3n2)cc1Cl 1875350286 HTILRAKLZLIANA-UHFFFAOYSA-N 405.845 3.709 0 50 HHAA COc1ccc(CCNC(=O)c2c[nH]nc2-c2ccccc2)cc1Br 2325822697 JMWKXPSSTKLVPH-UHFFFAOYSA-N 400.276 3.820 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 677447 IZUOAQUTMPTMSU-LBPRGKRZSA-N 424.810 3.977 0 50 HHAA Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(Br)cc1 862219 KKEIEHFJJKEALY-UHFFFAOYSA-N 417.332 3.653 0 50 HHAA COc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1Cl 877278 MQFRNEVLDCFEHK-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 1076009 FLINZDPHGKEDHN-UHFFFAOYSA-N 420.307 3.743 0 50 HHAA COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1 2121662 GTMGXOZRLJBWTE-UHFFFAOYSA-N 420.421 3.907 0 50 HHAA biogenic Fc1c(F)c(F)c(Cn2ccc(NC(=S)NCc3ccco3)n2)c(F)c1F 2857070 RHWVBEKGHITYJC-UHFFFAOYSA-N 402.348 3.707 0 50 HHAA CN1CCN(c2cccc(/C=N/Nc3ccc(Br)cc3)c2[N+](=O)[O-])CC1 4991945 LOUPAZMUYIHTTG-DEDYPNTBSA-N 418.295 3.555 0 50 HHAA CN1C(=O)[C@](O)(CC(=O)c2cc3ccccc3o2)c2cc(Br)ccc21 6686543 SYJUBFPNIGZDHO-IBGZPJMESA-N 400.228 3.632 0 50 HHAA CCOc1ccccc1CN(C(=O)c1cn(CC)c2nc(C)ccc2c1=O)C1CC1 55310697 HJXIFCFRHIUUDW-UHFFFAOYSA-N 405.498 3.928 0 50 HHAA Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc(C)n2)cc1 21793940 ZQCDKBAGNXYSPP-UHFFFAOYSA-N 405.477 3.939 0 50 HHAA CCOC(=O)N1Cc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(OC)c(OC)c1 25692483 RZGRWUVROLKUMZ-KRWDZBQOSA-N 401.459 3.977 0 50 HHAA O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(C(=O)Cc2cccnc2)CC1 11667890 UJNFVHJVSMLTAF-UHFFFAOYSA-N 416.481 3.689 0 50 HHAA COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3ccc(C(N)=O)cc3)C2)n1 447138341 ZOTNASDWUCRWER-KRWDZBQOSA-N 421.522 3.937 0 50 HHAA COc1ccc(-c2ccc(=O)n(CC(=O)c3c(C)n(C)c4ccccc34)n2)cc1OC 40287523 PCTXNUCQIZPVPV-UHFFFAOYSA-N 417.465 3.611 0 50 HHAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCC2=NNC(=O)CC2)c1 20598462 VKZJLLRSFCNCGT-VWLOTQADSA-N 414.509 3.997 0 50 HHAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C/C=C/c1ccc(F)cc1)C2 95355801 JTXLDCNKQFTYOR-GEYBBGHHSA-N 402.554 3.678 0 50 HHAA CSc1nnc(CNC(=O)CCC(=O)c2ccc(F)cc2)n1-c1ccccc1C 299760204 HUJYJSOFMGSZCZ-UHFFFAOYSA-N 412.490 3.716 0 50 HHAA Cc1cccc([C@H]2NC(=O)N(CC(=O)N[C@H](c3cccs3)C(C)(C)C)C2=O)c1C 170613141 KPKZYJAJIRIPOP-RTBURBONSA-N 413.543 3.861 0 50 HHAA Cc1noc([C@@H](NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)C(C)C)n1 170625496 RMNIEVLHSOSACF-UXHICEINSA-N 405.454 3.959 0 50 HHAA COc1cc(CCC(=O)N[C@H]2COC[C@@H]2Cc2ccnc3ccccc23)ccc1C 1615937459 VKCIXDPOKCWNHR-REWPJTCUSA-N 404.510 3.858 0 50 HHAA COc1ccc(-n2ccnc2[C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)cc1 11664708 PVJSCVSYDXNGQK-PZGSVQSZSA-N 414.509 3.823 0 50 HHAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)C1 11713218 OXHHSAFIKQUMSV-QGZVFWFLSA-N 415.534 3.748 0 50 HHAA Cc1c(C(=O)NC(C)(C)C)sc2ncnc(NC[C@H]3COc4ccccc4O3)c12 11996073 UKOKQGNYRAUVQV-ZDUSSCGKSA-N 412.515 3.780 0 50 HHAA COc1ccc(OC)c(CNC(=O)CCN2Cc3cc(Cl)ccc3O[C@H](C)C2)c1 12157344 BJABVEKQYQRKNY-OAHLLOKOSA-N 418.921 3.647 0 50 HHAA COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)CCc3c(C)nn(C)c3C)C2)cc1C 12194189 QSZWPBYJYVLLQP-LJQANCHMSA-N 411.546 3.716 0 50 HHAA CN(CCCC1CCCC1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 12205099 RNBNIVPNHKETJX-OAQYLSRUSA-N 423.623 3.648 0 50 HHAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)c1 12320620 ZIJJWKWOZSPVDY-QFIPXVFZSA-N 419.525 3.572 0 50 HHAA CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC)C2=O)cc1Cl 13880857 AMDICEXBWKPKJC-KPKJPENVSA-N 404.271 3.992 0 50 HHAA COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)c(OC)n1 15062317 LNDRXVFMZLWFCX-SFHVURJKSA-N 406.486 3.709 0 50 HHAA Cc1cc(=O)oc2cc(OCC3=CC(C)(C)N4C(=O)C(=O)c5cccc3c54)ccc12 1857526148 QVRGIABOEUSLIF-UHFFFAOYSA-N 401.418 3.885 0 50 HHAA O=C1NCCCN1c1ccc(-c2noc(-c3cnc(-c4ccncc4)s3)n2)cc1 1875352768 DGQKKEPIYBHJAY-UHFFFAOYSA-N 404.455 3.842 0 50 HHAA C[C@H](N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C)C(=O)Nc1ccc(F)cc1Cl 2325861336 NBNMHKFYPHJVTR-MELADBBJSA-N 403.885 3.762 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCSc3ccc(Br)cc32)CC1 2325889555 WJYFMBHUBNKONF-HNNXBMFYSA-N 409.349 3.527 0 50 HHAA CCOc1ccccc1C1C(C(=O)OC)=CN(c2ccc(F)cc2)C=C1C(=O)OC 1118563 VKWDXJSEQHFKOS-UHFFFAOYSA-N 411.429 3.942 0 50 HHAA COC(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1 1196799 QLYMVBMESYCVIC-UHFFFAOYSA-N 410.451 3.526 0 50 HHAA O=C(CCC1CCCCC1)N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O 2870629 WQEHRBQOWPWNOH-IBGZPJMESA-N 411.424 3.678 0 50 HHAA CCCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl 5261142 APJPJEDMAZLVIR-CYBMUJFWSA-N 412.770 3.984 0 50 HHAA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 8448198 LETMSSKQFGRAKI-INSWNQOLSA-N 423.468 3.575 0 50 HHAA CCOC(=O)N1CCC(N2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)CC1 11662982 IUUBWZAPFHIWSH-SFHVURJKSA-N 402.535 3.828 0 50 HHAA Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)sc1C 11765031 QPFXUUFWMYYBSY-INIZCTEOSA-N 405.951 3.511 0 50 HHAA CN(Cc1cnc2ccccn12)C(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 11784593 IHGKFJRFIQGYJI-HSZRJFAPSA-N 424.932 3.618 0 50 HHAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@@H](C)Cc2ccsc2)c1 12302024 USJDRRCLECVDDB-HNNXBMFYSA-N 416.543 3.507 0 50 HHAA OC[C@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 12314590 CXJHBAATRGEOQL-IBGZPJMESA-N 405.498 3.531 0 50 HHAA Cc1ccccc1-n1cc(CNC(=O)CCc2nnc(CCc3ccccc3)o2)cn1 13593710 BUMIZAJKBPTCFG-UHFFFAOYSA-N 415.497 3.598 0 50 HHAA COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc(Br)c1OC 13926167 PSXAWJGHDGBFED-AUWJEWJLSA-N 406.207 3.950 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1 15063597 MLRWHIWOXVKHMI-XMMPIXPASA-N 412.505 3.977 0 50 HHAA Cc1c(C(=O)N(C)C[C@H](O)c2ccccc2)cnn1-c1nccc(-c2cccs2)n1 15067100 XTXMEOGXPNFRFA-IBGZPJMESA-N 419.510 3.505 0 50 HHAA COc1ccccc1CN(Cc1cccnc1)Cc1cn(CC(N)=O)c2ccccc12 63856090 YQCQGSCRDKAIAE-UHFFFAOYSA-N 414.509 3.733 0 50 HHAA CCOC(=O)[C@H](NC(=O)c1scnc1C1CC1)c1c(C)nn(-c2ccccc2)c1C 225522634 FQHLIJCZZYCCON-LJQANCHMSA-N 424.526 3.857 0 50 HHAA COc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2C)CC1 231416432 KXLRFNAGPSRPNZ-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA CCOC(=O)C1=C(CN2CCC[C@H]2c2cccs2)NC(=O)N[C@H]1c1ccc(C)o1 241644645 PSKMPSSVWDXAFA-KXBFYZLASA-N 415.515 3.658 0 50 HHAA O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 328607186 VFCPQKOBRNIZHI-AVRDEDQJSA-N 419.412 3.834 0 50 HHAA Cc1ccc(C[C@H](CO)NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1 466669883 QHUVZJCVJRPBFC-DYVFJYSZSA-N 402.363 3.779 0 50 HHAA O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1csc(-c2ncccn2)n1 670452171 QERCOJAPYMSOFF-LJQANCHMSA-N 407.543 3.947 0 50 HHAA Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)c1c[nH]nc1-c1ccsc1 781463628 ONMXSNGWFOVEQQ-UHFFFAOYSA-N 413.524 3.855 0 50 HHAA O=C(NCC[C@@H](O)COCc1ccccc1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1469947038 YIHASKUPQQFLME-HMXCVIKNSA-N 402.922 3.853 0 50 HHAA Brc1ccc(-c2n[nH]cc2CN=c2ccn(-c3nccs3)[nH]2)s1 1875359080 TXESDNUQBUNDEZ-UHFFFAOYSA-N 407.322 3.577 0 50 HHAA O=C1NC2(CC(c3ccccc3Cl)C2)C(=O)N1c1cccnc1Br 2325869596 VODPZUZSIXUZLG-UHFFFAOYSA-N 406.667 3.870 0 50 HHAA Cc1cnc2n1[C@@H](C(=O)N[C@H](C(=O)O)c1ccc(OCc3ccccc3)cc1)CCC2 2325876858 CNRIJCKSWVLKMO-IRLDBZIGSA-N 419.481 3.590 0 50 HHAA Cc1cccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)c1 629307 GMKKQTUUMGURNR-UHFFFAOYSA-N 420.538 3.657 0 50 HHAA COc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1I 670802 LNNAJLODSRQVTL-UHFFFAOYSA-N 424.238 3.535 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(Br)c(OC)cc2OC)C1 755640 RXDPONQDDAGSEL-AWEZNQCLSA-N 413.356 3.547 0 50 HHAA CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(C(=O)OC)c1 949607 ITKVBHUUWXTBCX-UHFFFAOYSA-N 408.410 3.728 0 50 HHAA Cc1sc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c(C(N)=O)c1C 1056324 YAWYDYRSKBFMJK-UHFFFAOYSA-N 421.272 3.585 0 50 HHAA COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccncc2)n1C 1077472 MSOQRXDZUMABRP-UHFFFAOYSA-N 403.895 3.578 0 50 HHAA CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 1145806 WWHKQBOBVUPKDL-UHFFFAOYSA-N 424.950 3.648 0 50 HHAA O=C(NCc1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4819612 HRRSBVXFGXHZHB-DEDYPNTBSA-N 400.434 3.503 0 50 HHAA COc1ccc(OC)c(NC(=O)c2cn3c4c(ccc(Cl)c4c2=O)O[C@@H](C)C3)c1 6877102 WALGNEHCGKYRIC-NSHDSACASA-N 414.845 3.705 0 50 HHAA CCOc1ccccc1CNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1 8619253 CEABOPNBUPCARX-UHFFFAOYSA-N 411.531 3.648 0 50 HHAA CCc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 11697978 HKFGFXJNUHCWCR-UHFFFAOYSA-N 403.490 3.532 0 50 HHAA O=C1CC[C@@H](CCNCc2ccccc2F)N1C[C@@H](c1cccnc1)N1CCCCC1 12056832 CDJVABFBWVRXFK-UPVQGACJSA-N 424.564 3.919 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)NC[C@H]1Cc2cccc(-c3cccnc3)c2O1 12079159 RLMUTDJEPDMGAW-LJQANCHMSA-N 402.450 3.530 0 50 HHAA CCn1nc(C)c(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C 12439745 OPTWGBIGBCEJHP-UHFFFAOYSA-N 410.562 3.799 0 50 HHAA O=C(CC[C@@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1)NCc1ccccc1F 12443711 NZHIDPSVMXMOIR-SFHVURJKSA-N 422.504 3.511 0 50 HHAA Cc1c(C(=O)N(C)Cc2cccs2)sc2ncnc(NC[C@H]3CCCO3)c12 12456296 WKMFJUKXTWLDRD-CYBMUJFWSA-N 402.545 3.924 0 50 HHAA CSc1ncccc1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 12596640 OCWOHPWYEGZUOM-INIZCTEOSA-N 415.534 3.891 0 50 HHAA CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)cc1 13765996 NKPDADVFODUXTE-QJOMJCCJSA-N 416.525 3.984 0 50 HHAA CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1O 14009023 RAWFIDAVEQHTFR-BOPFTXTBSA-N 412.467 3.774 0 50 HHAA CC(C)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1 14954894 MSPREXONPCFQPL-KRWDZBQOSA-N 407.518 3.544 0 50 HHAA Cc1ccc(-n2cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)cn2)cc1C 15219287 RIBNGRPSOUXDBP-FBHDLOMBSA-N 400.507 3.876 0 50 HHAA O=C(CSCc1ccccc1)Nn1c(=S)[nH]c2sc3c(c2c1=O)CCC3 17082745 QBPORMJLDSLNDP-UHFFFAOYSA-N 403.554 3.613 0 50 HHAA O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 20472559 RLJIEXSEWGANQZ-UHFFFAOYSA-N 400.837 3.544 0 50 HHAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)n1 33326832 WBQCOHPHSBACEW-UHFFFAOYSA-N 412.513 3.577 0 50 HHAA CCN1C[C@H](COC(=O)[C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)CC1=O 240912212 IWODEHAKYHPSOC-MRAWALMUSA-N 400.302 3.873 0 50 HHAA O=C(c1ccc(Cl)cc1Cl)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 263618367 SPRIWZKNGIADPO-UHFFFAOYSA-N 417.296 3.887 0 50 HHAA O=C1CCCc2cc(C(=O)N3CCNC(=O)[C@@H]3c3ccc(C(F)(F)F)cc3)ccc21 491160229 HPQMYFASWUTIFR-IBGZPJMESA-N 416.399 3.538 0 50 HHAA Cc1nc(-c2ccc(S(=O)(=O)NCc3n[nH]c4c3CCCCC4)s2)cs1 670451362 OBIHOJSCLSTUIG-UHFFFAOYSA-N 408.574 3.651 0 50 HHAA CC(C)c1ccc2c(c1)CCCN2C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 764916691 YHCXNHWHFCBGRV-UHFFFAOYSA-N 420.557 3.613 0 50 HHAA O=C(O)CCc1nnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)s1 1857781383 NNDGEGQJRZJDCF-UHFFFAOYSA-N 409.467 3.594 0 50 HHAA COc1ccc(F)cc1C(=O)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356146096 RHQSCIGDJDJLNN-DEOSSOPVSA-N 410.489 3.674 0 50 HHAA COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCc3cccnc3)c2c1 1459192 FEDGYWJMOUERIF-UHFFFAOYSA-N 413.433 3.964 0 50 HHAA COc1cccc(C(=O)Nc2ncn(Cc3cccc(C(F)(F)F)c3)n2)c1OC 2798888 PQXMUSRVRLTETL-UHFFFAOYSA-N 406.364 3.615 0 50 HHAA O=C(NCCCCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 2906468 BZRPXPVZGUPWQX-QGZVFWFLSA-N 415.331 3.941 0 50 HHAA O=S(=O)(c1ccccc1)N(C[C@@H](O)CN1CCCCC1)c1cccc2ccccc12 5022567 WTZFAWWTWNWLNK-NRFANRHFSA-N 424.566 3.882 0 50 HHAA CC[C@@H](Sc1nnc(-c2ccncc2)n1CC(C)C)C(=O)Nc1nccs1 9095999 SEDUUHGMVZYNGI-CQSZACIVSA-N 402.549 3.962 0 50 HHAA Cc1ccc(OC2CCN(C(=O)c3cn(C/C=C/c4ccccc4)nn3)CC2)cc1 11761262 PAFOKTSXZOMHSC-VMPITWQZSA-N 402.498 3.984 0 50 HHAA CN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C1CCOCC1 12054821 MILYNGGHRVVQRC-UHFFFAOYSA-N 405.498 3.938 0 50 HHAA CCn1ccnc1CN1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 12299791 JKIOTOIFDNLZKT-QGZVFWFLSA-N 400.954 3.616 0 50 HHAA C[C@H](C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1)n1cccn1 12434586 RWQJREKXKBGHCE-QGZVFWFLSA-N 419.485 3.509 0 50 HHAA CSc1cccc(CNCc2ccc(OC[C@@H](O)CN3CCCCC3)cc2)c1 12710862 FLMXCATVUWTSNY-NRFANRHFSA-N 400.588 3.924 0 50 HHAA Cc1cc2nc(CN(C)Cc3c(C(=O)N(C)C)nc4ccc(Cl)cn34)[nH]c2cc1C 13636790 DYMPTGSJMYQRMQ-UHFFFAOYSA-N 424.936 3.815 0 50 HHAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)/C=C/c1ccco1 14969245 BVOGBQUZTUVJLX-SGWGQVFISA-N 413.537 3.734 0 50 HHAA c1ccc([C@H](CNCc2c[nH]nc2-c2cccc3ccccc23)N2CCOCC2)nc1 19636809 TYKAIDIEXITFKZ-DEOSSOPVSA-N 413.525 3.788 0 50 HHAA O=C1C[C@@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 20511944 DLECZTOWFHLAMO-GOSISDBHSA-N 422.287 3.587 0 50 HHAA Cn1ncc2c(Nc3ccc(F)cc3)nc(N3CCN(c4ccc(F)cc4)CC3)nc21 20724491 LBJIAISWCLQLQB-UHFFFAOYSA-N 421.455 3.712 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)CN1Cc1cccc(Cl)c1 23359884 GAIJPMJBASKIRZ-UTKZUKDTSA-N 421.919 3.876 0 50 HHAA CC(C)c1ccc(N2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1 35959797 VVSMKIKXHIFJAM-QFIPXVFZSA-N 405.542 3.507 0 50 HHAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(Cc2ccccc2)[C@H](CCO)C1 36385674 XZVKUQKLYWSWFI-XMMPIXPASA-N 422.548 3.697 0 50 HHAA COc1cc(C)c(-c2nc(CN3CCC[C@@H](CN4CCOCC4)C3)c(C)o2)cc1C 67755358 FAXBDCSMOVGXQQ-FQEVSTJZSA-N 413.562 3.820 0 50 HHAA CC(=O)C(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 82161649 DXFCOBPXAOOYHX-QFIPXVFZSA-N 412.489 3.729 0 50 HHAA O=C(CCC(=O)c1ccc(F)cc1F)NCCc1cc(Cl)c2c(c1)OCCO2 117386187 JAHNSBYQPMWWJT-UHFFFAOYSA-N 409.816 3.711 0 50 HHAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(C)ccc4C)ccn3n2)c(C)c1 169750952 ATCFLRNAWDJFBD-UHFFFAOYSA-N 414.509 3.827 0 50 HHAA COc1ccc(OC)c(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3cccs3)C2)c1 242047858 VQRJTIFPBPKPAD-LJQANCHMSA-N 413.543 3.929 0 50 HHAA CC(C)c1nn(C)c2sc(C(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)cc12 463833019 ZHZKDFOTFOWCGG-AWEZNQCLSA-N 416.934 3.947 0 50 HHAA CC(C)(C)[C@H](NS(=O)(=O)c1cnc2n1CCC2)c1cccc(C(F)(F)F)c1 475800765 VVRNVHZLNQUGPY-MRXNPFEDSA-N 401.454 3.914 0 50 HHAA CN(C)c1ncc(/C=C/C(=O)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cn1 827603906 XUKDJLOLFKEFAT-NFPSEPLVSA-N 408.546 3.589 0 50 HHAA CCOCCn1cc(C(=O)Nc2ccc(SCCN3CCCCC3)cc2)cn1 1469316722 HWHNTDASEZMODP-UHFFFAOYSA-N 402.564 3.750 0 50 HHAA CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)C1 1478135438 ZZWVGMWBKCDNBF-WWNPGLIZSA-N 420.557 3.951 0 50 HHAA O=C(c1ccc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)cc1)N1CCOCC1 1506405835 OAIONDAJQNNUDB-HSZRJFAPSA-N 406.526 3.787 0 50 HHAA O=C(NC[C@H]1CCN(C(=O)COc2ccccc2F)C12CC2)c1ccsc1Cl 1875345571 BUVOMRZOFXJTEU-CYBMUJFWSA-N 422.909 3.731 0 50 HHAA CC(C)n1ncc2c(C(=O)/N=c3/ccnc4n(C)[nH]cc3-4)cc(-c3cccs3)nc21 2325738427 WISPJZUQQXGPGE-QQXSKIMKSA-N 417.498 3.648 0 50 HHAA O=C(c1cccc2ncsc12)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 2356170869 MKBWQRSFWBXKKO-JOCHJYFZSA-N 406.511 3.790 0 50 HHAA CCOc1ccc(OCc2ccc(C(=O)N3N=C(C)C[C@@]3(O)C(F)(F)F)o2)cc1 652870 NJIUYDISHQVBPA-GOSISDBHSA-N 412.364 3.730 0 50 HHAA CC(=O)c1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1 724573 LVJNWBAYPREPLJ-UHFFFAOYSA-N 424.263 3.621 0 50 HHAA CCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cn1)C(Cl)(Cl)Cl 3019076 JSQQVENGFPGMJK-JTQLQIEISA-N 404.150 3.634 0 50 HHAA CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 4358316 XFVDYLCWESXSHE-ZDUSSCGKSA-N 402.292 3.507 0 50 HHAA COCCN1CCC(CN(Cc2ccncc2)Cc2c(C)nn(C(C)C)c2C)CC1 11664985 NCYAFOPJQMINKH-UHFFFAOYSA-N 413.610 3.836 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)Cc1ccc(F)cc1 11816837 DDFWTAXMXASTGI-UHFFFAOYSA-N 416.512 3.895 0 50 HHAA CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 11818674 HVWOJMURFHTIII-LJQANCHMSA-N 405.498 3.658 0 50 HHAA COc1ccc(CC(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)cc1 12586160 JYPOOHGBVRPMHO-NRFANRHFSA-N 410.558 3.659 0 50 HHAA O=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCCCCCC1 15072478 YKUZGBQAJUCJHQ-UHFFFAOYSA-N 400.498 3.542 0 50 HHAA COc1ccccc1CCN1CCC[C@H](CN(C)Cc2cccn2-c2ncccn2)C1 23366648 ZHYYLGPZVGUWDR-OAQYLSRUSA-N 419.573 3.662 0 50 HHAA Cc1ccc(OCC(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1C 101886511 DBWQXUDREUECPB-ZCVTWQBDSA-N 419.477 3.823 0 50 HHAA C[C@H]1CN(CC(=O)N2CCC([C@H](C)N3CCCC3)CC2)Cc2cc(Cl)ccc2O1 104454271 PAVVRHKDIDMNTM-ROUUACIJSA-N 419.997 3.646 0 50 HHAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252516375 SGWBLBLPDDZRPY-GDJRKYJOSA-N 400.288 3.627 0 50 HHAA C[C@@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1cccc(CN(C)Cc2ccoc2)c1 299774290 BOUJPUUIMYBWQU-KRWDZBQOSA-N 422.529 3.711 0 50 HHAA C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)C1 461299932 IDTMQLOLJRFBGC-HRAATJIYSA-N 419.518 3.998 0 50 HHAA Cc1ccc(N2CC[C@@H](CNS(=O)(=O)c3ccc(-c4onc(C)c4C)o3)C2)cc1 1506399423 NMQSTWQTVGHMFB-KRWDZBQOSA-N 415.515 3.665 0 50 HHAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N2C[C@H](Cc3cc(C)no3)[C@@H](O)C2)c1 1616072824 ZZSCSUTVQJMRNS-PXNSSMCTSA-N 400.519 3.634 0 50 HHAA O=C(O)C[C@H]1CCC2(CO1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 1857783239 BWVNJNXRECWQJJ-MRXNPFEDSA-N 407.466 3.891 0 50 HHAA CCN(Cc1ccc2ccccc2n1)C(=O)CSCc1cc(=O)n2ccsc2n1 1875257342 KIVRMBQVULKGNO-UHFFFAOYSA-N 424.551 3.586 0 50 HHAA C[C@@H](COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)CC(F)F 2325875417 RAUPOFGPBRBPJD-KDOFPFPSSA-N 401.409 3.728 0 50 HHAA CCOc1c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc(Cl)c1Cl 4667034 FOHQZHZDYGDEOI-UHFFFAOYSA-N 409.379 3.980 0 50 HHAA COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)c1 4749693 QEHWTWZYMAMODD-UHFFFAOYSA-N 415.493 3.910 0 50 HHAA COCc1ccc(C(=O)N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3)C2)o1 12052040 NQPDSDDOQSKYRK-QFIPXVFZSA-N 404.457 3.833 0 50 HHAA COc1ccccc1CNC(=O)c1sc2ncnc(NC[C@@H]3CCCO3)c2c1C 12191462 LZWVONLEKKKTMX-HNNXBMFYSA-N 412.515 3.529 0 50 HHAA O=C(CC[C@H]1CCCN(C(=O)CCc2ccncc2)C1)NCc1ccc(F)c(F)c1 12201395 WAKQSCDDXZVATN-GOSISDBHSA-N 415.484 3.628 0 50 HHAA O=C(c1cccnc1)N1CCC[C@H](COc2ccc(CN3CCSCC3)cc2)C1 12282206 RKYDHJRRZYHSQG-FQEVSTJZSA-N 411.571 3.562 0 50 HHAA COc1ccc2cc(-c3n[nH]cc3CN(C)CCCCN3CCOCC3)ccc2c1 12433366 GIKZUYTWPBJYLA-UHFFFAOYSA-N 408.546 3.783 0 50 HHAA COc1ccc(CCCNC(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cc1 12596882 COMNGMGBNUAHKQ-IBGZPJMESA-N 414.933 3.836 0 50 HHAA Cc1cc(-c2cc3c(n(C)c2=O)CCN(Cc2ccc4c(c2)OCCO4)C3)ccc1F 14540908 DLZJVOXQTPVURH-UHFFFAOYSA-N 420.484 3.829 0 50 HHAA Nc1nc2c(cc1Br)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 25693476 RUHCMUJLUNYDBA-UHFFFAOYSA-N 409.287 3.639 0 50 HHAA Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCN(C)CC2)CC[C@@H](C)C3)c1 55196053 UIVUNPCCCJCGRQ-MRXNPFEDSA-N 411.571 3.821 0 50 HHAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)n1 67603412 IATPQLVSESONJR-UHFFFAOYSA-N 414.941 3.701 0 50 HHAA CSCC[C@@H](NC(=O)CCN1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 223240842 IKXFSEJBJSEQPJ-LJQANCHMSA-N 408.527 3.519 0 50 HHAA COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 239038588 DMTLHMBJHHIBLA-FKBYEOEOSA-N 418.424 3.885 0 50 HHAA Cc1cc(NC(=O)[C@H](C)SCC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)no1 239527579 ATEYFAHIIHBALZ-IFIJOSMWSA-N 417.531 3.951 0 50 HHAA COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CC1=O 252517112 ZTYFFCODLHIIIU-AXAPSJFSSA-N 420.843 3.652 0 50 HHAA Cc1cc(NC(=O)CN[C@H]2[C@H](C)N(C(=O)OC(C)(C)C)CC[C@H]2C)n(C(C)(C)C)n1 253417380 SBSQIYPSGJBGMP-SIXWZSSISA-N 421.586 3.509 0 50 HHAA Cc1cc2c(C)nc(N3CCC(NC[C@H](C)Oc4cccnc4)CC3)nc2cc1F 299762064 VKBWWMVCRDJBHG-INIZCTEOSA-N 409.509 3.807 0 50 HHAA Cc1cccc(OC(C)(C)C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1 1529089877 CFMTVSZOQWYKRY-AUSIDOKSSA-N 404.510 3.763 0 50 HHAA COc1ccc2c(c1)C=C(CN1C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C1)CO2 1615937470 ITWCJAWTPUNUMO-RDPSFJRHSA-N 402.494 3.555 0 50 HHAA Cn1cnc(C(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)c1 1857705742 TWKHRPYJLZRPTJ-NRFANRHFSA-N 410.562 3.522 0 50 HHAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 1875263562 OKYOVRAIQKEJHU-IBGZPJMESA-N 411.889 3.604 0 50 HHAA Cc1cncc(CC(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)c4ccc(C)cc4C)C3)C2)c1 1875361653 YAMKVLVOKOCGPF-DHIUTWEWSA-N 419.569 3.950 0 50 HHAA O=C(O)[C@H]1COCCN1c1nc(-c2ccsc2)nc2sc3c(c12)CCCC3 2325853246 JJFUUGJCJDNHNX-CYBMUJFWSA-N 401.513 3.588 0 50 HHAA C[C@H](c1ccccc1)[C@H](NC(=O)C[C@H]1CCc2cc(Br)ccc21)C(N)=O 2325876805 BRBSTRPADYXBAI-AUJRIZCKSA-N 415.331 3.643 0 50 HHAA COc1ccc(CCNC(=O)COc2ccc(C)cc2Br)cc1OC 633813 NBQAICNEMSFQGV-UHFFFAOYSA-N 408.292 3.512 0 50 HHAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N[C@@H](C)[C@H]4CCCO4)c3n2)cc1 815408 SPAGQJGMHUFECD-KPZWWZAWSA-N 416.428 3.640 0 50 HHAA COc1cc2c(cc1OC)[C@H](c1cc(Br)c(OC)c(OC)c1)CC(=O)N2 816200 AMYVWAHDAZZPTB-NSHDSACASA-N 422.275 3.958 0 50 HHAA COc1ccccc1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 835096 LVWWBRAMBLTOND-UHFFFAOYSA-N 410.495 3.914 0 50 HHAA CSc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1 1109409 MGIWCOGQNQQERE-UHFFFAOYSA-N 408.264 3.771 0 50 HHAA COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc3ccccc23)cc1 1119510 ZOBMQTFGGYXTRK-NRFANRHFSA-N 410.495 3.640 0 50 HHAA O=C1S[C@H](Nc2ccc(I)cc2)C(=O)N1c1ccccc1 2217393 GAOHVZOSSVANIO-ZDUSSCGKSA-N 410.236 3.929 0 50 HHAA COc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 2378252 NFQCEEZZCWJFBS-UHFFFAOYSA-N 402.406 3.881 0 50 HHAA Nc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1-c1ccccc1 2848459 HNYCDRSILXQTHJ-UHFFFAOYSA-N 415.522 3.847 0 50 HHAA NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 4180072 DIKJZBPRGIMLAY-CHWSQXEVSA-N 404.875 3.773 0 50 HHAA O=C1CC[C@](CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)(Cc2ccccc2)N1 11871099 OUMLVUOPIHMDGG-GJZUVCINSA-N 418.537 3.780 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(C(=O)C3=CCCCC3)CC2)c(Cl)c1 12194929 AIKGFEXJOZBVIA-UHFFFAOYSA-N 420.937 3.586 0 50 HHAA Cc1cc(C(=O)N2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)n[nH]1 12305992 SUJUVGDBQHQOIV-UHFFFAOYSA-N 422.573 3.832 0 50 HHAA NC(=O)c1ccc(N2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)nc1 67689118 VFJIDMASOTZDOF-UHFFFAOYSA-N 418.478 3.562 0 50 HHAA CN1CCC(N2CCN(Cc3ccc(C4CCCCC4)s3)C[C@H]2CCO)CC1 104529732 FBUKRQYEBSKTAZ-OAQYLSRUSA-N 405.652 3.759 0 50 HHAA O=C(Cc1c(F)cccc1Cl)N[C@H]1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169754150 RQABMOHTTRSRSB-HNNXBMFYSA-N 416.859 3.946 0 50 HHAA CN([C@@H]1[C@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 170637294 LIGLKRUDWXSVAU-KURKYZTESA-N 413.486 3.650 0 50 HHAA C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 225488129 BGSUVOMGIJTCIV-HNNXBMFYSA-N 419.518 3.951 0 50 HHAA COc1ccccc1OCc1nc2cccnc2n1C1CCN(C(=O)C(C)C)CC1 299767749 JPOHCLPOGBXFHM-UHFFFAOYSA-N 408.502 3.838 0 50 HHAA COc1ccccc1[C@H](NC(=O)N1CCn2nc(C)nc2C1)c1ccccc1Cl 439351166 DAJUGGYTZYRZPJ-HXUWFJFHSA-N 411.893 3.563 0 50 HHAA COc1cc(OC)cc(-c2cccc(NC(=O)[C@@H]3CCN(CC(F)(F)F)C3)n2)c1 462834394 AARAKCWCTHBEKD-CYBMUJFWSA-N 409.408 3.589 0 50 HHAA CC(C)c1oc([C@H]2CCCN2C(=O)CCCS(C)(=O)=O)nc1-c1ccccc1 464081326 JPKSUVZCODQYEG-QGZVFWFLSA-N 404.532 3.953 0 50 HHAA O=C(Nc1ccc(N2CCCC2)c2ncccc12)[C@@H]1CCCN(C2CCOCC2)C1 952987635 OYXMOZMQCUEAGY-GOSISDBHSA-N 408.546 3.665 0 50 HHAA COc1ccccc1OCC(=O)Nc1cccc(NC(=O)CCc2nc(C)c(C)[nH]2)c1 2325853915 HHRBNMUMEPHPHF-UHFFFAOYSA-N 422.485 3.624 0 50 HHAA O=C(c1ccc2nccn2c1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1ccccc1 2356142522 WMGOMAAASBBGKY-SBFWRKJZSA-N 414.553 3.892 0 50 HHAA Cc1ccc(C)c(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(CO)c3ccccc32)c1 1195600 LIZOMENHPWXLET-PGAZUGQPSA-N 409.485 3.847 0 50 HHAA COc1ccccc1N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccccc1 2163624 LQVKRBMSUHHGQJ-UHFFFAOYSA-N 418.559 3.687 0 50 HHAA CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1cccc(OC)c1 4736344 BGXDFVRMSZTCCU-UHFFFAOYSA-N 403.533 3.778 0 50 HHAA O=C(Cc1ccccc1)Nc1ccc(N2CCOCC2)c(C(=O)c2ccccc2)c1 4998909 DBSUWUGIJPHMPH-UHFFFAOYSA-N 400.478 3.935 0 50 HHAA CCOC(=O)C1(CCOc2ccccc2)CCN(C2CSCCSC2)CC1 55368863 SIJKJLZMDAPBEX-UHFFFAOYSA-N 409.617 3.949 0 50 HHAA O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(F)cc1 23411283 GZHZHBRZTWHZJA-HXUWFJFHSA-N 415.428 3.687 0 50 HHAA O=C([C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 475466268 KLVZOWFXYSIQGA-PLZOXNTBSA-N 400.526 3.572 0 50 HHAA Cc1nn(C(F)F)c(C)c1S(=O)(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 2804850 IJDPIYOQJQILPG-UHFFFAOYSA-N 415.853 3.594 0 50 HHAA CCc1nc(C)c([C@H](C)N(C)CC(=O)NC[C@H](c2ccco2)N(CC)CC)s1 230088842 PYZLSYXOQDDPCN-DLBZAZTESA-N 406.596 3.799 0 50 HHAA O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(Cc3ccccc3F)CC2)C1 82107188 SJBCSPYSNIUPRR-QHCPKHFHSA-N 423.576 3.861 0 50 HHAA Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccccn1 238901740 MJQGWYFYAQTZTH-NJYVYQBISA-N 403.413 3.580 0 50 HHAA CC(C)[C@@]12CC[C@@](C)(O1)[C@H](Oc1cccc(Cl)c1CNC(=O)[C@H]1C[C@H]1C(=O)O)C2 252428340 YVYOHLNJGLJXES-JLRGWOEFSA-N 421.921 3.792 0 50 HHAA COc1ccc([C@@H](C)NC(=O)c2ncn3c2CO[C@H](c2ccc(OC)cc2)C3)cc1 263619381 YMGYIFLTFUKOPV-VFNWGFHPSA-N 407.470 3.663 0 50 HHAA COc1ccccc1CN(CCCO)C(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 828753674 WUNYWSVPKLKTHP-OAQYLSRUSA-N 424.541 3.583 0 50 HHAA C[C@@H]1Sc2ccc(C(=O)OC3CCN(c4ccc(Cl)cn4)CC3)cc2NC1=O 170629775 GLBQMRYIKLRTQI-LBPRGKRZSA-N 417.918 3.994 0 50 HHAA Cc1ccc(CCNC(=O)C[S@@](=O)Cc2nc(-c3ccccc3F)oc2C)cc1 5057887 WSSGOPHIHYZWQP-GDLZYMKVSA-N 414.502 3.705 0 50 HHAA CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(Cc2ccccc2OCCO)C1 11843122 LGOMANUODBUGRC-RUZDIDTESA-N 411.542 3.836 0 50 HHAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)[C@H](C)c2cccs2)c1=O 11999898 GAODXLJUAASIPG-CQSZACIVSA-N 401.532 3.608 0 50 HHAA COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(O)cc3)C2)cc1 12191659 HIHGFTWCABWDHJ-RTWAWAEBSA-N 400.544 3.661 0 50 HHAA CN(Cc1cc(-c2ccccc2)on1)C(=O)CC[C@]1(Cc2ccccc2)CCC(=O)N1 12218437 RWSJOCCGUGBLTJ-VWLOTQADSA-N 417.509 3.972 0 50 HHAA Cc1ccc(C2(c3noc(CN4CCCN(c5ncccn5)CC4)n3)CCCC2)cc1 12579206 QLXAKXFMFYKDAF-UHFFFAOYSA-N 418.545 3.740 0 50 HHAA COc1cc(OC)c(OC)cc1CN1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 12590926 POZHMRNLSJOKCB-INIZCTEOSA-N 413.470 3.536 0 50 HHAA CSc1ccccc1OCc1cc(C(=O)NCCCn2nc(C)cc2C)no1 12715078 KGFVVAPZLVBBFJ-UHFFFAOYSA-N 400.504 3.609 0 50 HHAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@@H]2CC23CCC3)CC1 12754769 HDMISJZCQLNZCP-FQEVSTJZSA-N 406.530 3.808 0 50 HHAA C[C@H](c1cccs1)N(C)C(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1 14981675 DHIHHPMXHQAMBG-MRXNPFEDSA-N 412.515 3.572 0 50 HHAA O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 19882967 QDFYIQQGHHEJGI-UHFFFAOYSA-N 408.523 3.985 0 50 HHAA O=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnc1nc(N3CCCCC3)[nH]c(=O)c21 19973982 PAMYKYGLPTYKCL-AWEZNQCLSA-N 408.889 3.875 0 50 HHAA COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2)(c2ccccc2)c2ccc(OC)cc2)cc1 135760870 CJFYBUJBXCVKLN-XZOQPEGZSA-N 419.521 3.735 0 50 HHAA in-vitro CC(C)c1cc(NC(=O)N2CCO[C@@H](CCc3ccccc3)C2)n(-c2ncccn2)n1 474826004 QVVZFFTVOFTLBA-IBGZPJMESA-N 420.517 3.651 0 50 HHAA Cc1ccc(N2CCC(N3CCC[C@@]4(CCc5cnc(N(C)C)nc54)C3)CC2)cc1 1704339490 IVKARHDHHMMABE-RUZDIDTESA-N 405.590 3.800 0 50 HHAA COc1ccc2ccccc2c1-c1cc(Cn2nc(-c3cccnc3)oc2=O)on1 1875337471 VMLWGZZQVGVFSL-UHFFFAOYSA-N 400.394 3.763 0 50 HHAA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccc(C)o3)C2)cc1OC 1875388762 PHVHEYZTXVZXLJ-INIZCTEOSA-N 400.431 3.538 0 50 HHAA CCO[C@@H]1C[C@@H](NC(=O)c2ccc(NC[C@H]3Cc4ccccc43)nc2)C12CCOCC2 1875325426 NJGBSQOQNXNOED-CEMLEFRQSA-N 421.541 3.537 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 656688 VOWYEBVYHLSUOQ-UHFFFAOYSA-N 424.478 3.558 0 50 HHAA O=S1(=O)C(Br)=Cc2c(Br)ccc(Br)c21 690366 GTGQRKXOALDLIR-UHFFFAOYSA-N 402.889 3.692 0 50 HHAA COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)cc1OC 969360 OTKLFYWAWSWIGX-SFHVURJKSA-N 424.541 3.713 0 50 HHAA CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(I)cc2)cc1 998364 DVYJOORNZSLWIY-GFCCVEGCSA-N 409.223 3.900 0 50 HHAA COc1cccc(C2=NN(C(=O)CCCc3ccccc3)[C@](O)(C(F)(F)F)C2)c1 1152010 VJEHSGUGRKQYJY-HXUWFJFHSA-N 406.404 3.905 0 50 HHAA Cc1ccccc1CSCCNS(=O)(=O)c1ccc(Br)cc1 2817629 RSQSMQSOBSIHEK-UHFFFAOYSA-N 400.363 3.969 0 50 HHAA COc1ccc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)cc1OC 6018659 MFIHSKBTNZNJIK-RZTYQLBFSA-N 416.470 3.805 0 50 HHAA biogenic,in-vitro O=C(c1cn([C@@H]2CCCN(C/C(Cl)=C/c3ccccc3)C2)nn1)N1CCCCC1 12278969 LTXYYTGIFJPZKY-GRTQGXPSSA-N 413.953 3.821 0 50 HHAA O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 12439682 UOXYOCBWAXEOMS-KRWDZBQOSA-N 411.408 3.616 0 50 HHAA O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(-c2ccccc2)cc1 18107454 MPIGMUOCQLDNCP-DEOSSOPVSA-N 411.505 3.808 0 50 HHAA CCCCOc1c(I)cc(CNCCN(C)C)cc1OCC 19922781 ZVTKAGYOTLTGEI-UHFFFAOYSA-N 420.335 3.520 0 50 HHAA O=C(Nc1nc(-c2ccccc2)ns1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 55341576 DHPMXMBPJJIEOW-QGZVFWFLSA-N 403.471 3.503 0 50 HHAA COc1ccccc1CC(=O)N[C@H]1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 169753764 PLOAAQZLJBKWJO-SFHVURJKSA-N 410.905 3.676 0 50 HHAA COc1cccc(CCC(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1 169780329 GRKSERUOHIZMIE-UHFFFAOYSA-N 422.451 3.530 0 50 HHAA C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229513325 SZROQQSMDVTMEY-YCRPNKLZSA-N 416.905 3.902 0 50 HHAA C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(C)[C@H]1CCCc2ccccc21 252022271 ZIXHHZJJVCNDCX-MBSDFSHPSA-N 403.530 3.796 0 50 HHAA CC(C)n1ccc2c(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)cccc21 252537810 MKEIUTURJGHPGX-XKGZKEIXSA-N 400.548 3.887 0 50 HHAA CC(C)Cn1ncc2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)OC(C)(C)C)cnc21 253395075 SCXUGOQBEDYXGU-HXUWFJFHSA-N 422.529 3.770 0 50 HHAA CCOc1ccc(C2(CNC(=O)N[C@H]3CCc4c(O)cccc43)CCOCC2)cc1 465741587 HJMIBADLAUSDLP-NRFANRHFSA-N 410.514 3.826 0 50 HHAA CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)/C=C\C(=O)O 575629563 OBIKFELFUFDHLD-JLMIGJNSSA-N 409.482 3.611 0 50 HHAA in-vitro O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1CCc2c(cnn2-c2ccccc2)C1 795243318 DSTXXWNPIBCOSR-IBGZPJMESA-N 401.388 3.509 0 50 HHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3nc(-c4ccccc4)oc3C)C1)CC2 1704344706 WNEZTLGPVRDWAX-XMMPIXPASA-N 402.498 3.798 0 50 HHAA COCCC(=O)N1CCC[C@@H](c2nc(-c3ccco3)nn2Cc2ccccc2)CC1 1772811134 SKAYBHCOODCUKS-LJQANCHMSA-N 408.502 3.719 0 50 HHAA OCC[C@@H](Nc1ncnc(-c2cccc(F)c2)n1)c1ccccc1Br 1857529943 JRDQTRQXZPGPBX-MRXNPFEDSA-N 403.255 3.976 0 50 HHAA CC(C)N=c1[nH]c(-c2ccccc2)nc2c1CCC21CCN(C(=O)c2ccc[nH]2)CC1 1857696017 IGHXTAHWXPMUAI-UHFFFAOYSA-N 415.541 3.834 0 50 HHAA COc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC 869994 IJPQGRUSJZIPCB-GOSISDBHSA-N 414.502 3.714 0 50 HHAA biogenic CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 1158711 CYZCLUZFHKGWHN-UHFFFAOYSA-N 404.557 3.756 0 50 HHAA Cc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 1174405 ZXCFHVNPDUBCCL-UHFFFAOYSA-N 400.544 3.901 0 50 HHAA CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1 2196273 PFATWZFJOGDFJM-UHFFFAOYSA-N 418.405 3.815 0 50 HHAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2757077 UPNCJAGKAHYGAH-FGZHOGPDSA-N 404.510 3.587 0 50 HHAA COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)cc1 2356157826 SNESDFKSYYJQEZ-KJBBBAAKSA-N 418.537 3.780 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C(C)=C/c2ccccc2)c1 4670563 PUYWNIGHOORTSA-JQIJEIRASA-N 402.516 3.768 0 50 HHAA O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1Cc1ccccc1 101147920 JEECXSKHSNMNKW-YPAWHYETSA-N 402.425 3.872 0 50 HHAA O=C1CCc2ccc(NC(=O)N3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)cc2N1 438442779 CTPDRKKEYNLPCG-UHFFFAOYSA-N 416.485 3.768 0 50 HHAA CC(C)C(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1NS(C)(=O)=O 252479358 BDOBAKCRWDFPFN-IBGZPJMESA-N 403.479 3.531 0 50 HHAA O=C(Nc1ccc(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1)[C@H]1CCCO1 478236512 ZCAYEZBIOUZDBR-NHCUHLMSSA-N 408.502 3.913 0 50 HHAA COc1ccc(-n2nc(NC(=O)C3CCC3)c3c(N4CCOCC4)cccc32)cc1 77438756 JETZBKZDILLZQV-UHFFFAOYSA-N 406.486 3.609 0 50 HHAA COc1ccc(OC)c([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)c1 20999620 DMWQTOFPDDILDK-HMHJJOSWSA-N 422.525 3.650 0 50 HHAA C[C@H]1CCCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2cccc(C(F)(F)F)c2)C1 822416746 AMHLZKUKRDJODE-FZMZJTMJSA-N 406.408 3.911 0 50 HHAA CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 170594444 VMXJVUNTNIMZMY-BQYQJAHWSA-N 419.522 3.522 0 50 HHAA CCOC(=O)CCNC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 11878272 RMVQFKDBAXZVLX-OAQYLSRUSA-N 408.498 3.911 0 50 HHAA Cn1ccnc1CN1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 12317557 AMLLWBOSGQTDTP-UHFFFAOYSA-N 416.953 3.789 0 50 HHAA O=C(CCC1CCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1)NC[C@@H]1CCCO1 12317815 KFLYPUBPHRNOQA-NRFANRHFSA-N 414.525 3.503 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2ccsc2)C1 12593366 LYMRQQBNMBIWSO-HXUWFJFHSA-N 407.557 3.633 0 50 HHAA O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCC2)CN(CCc2ccccc2)C1 14530867 KWTOHMQYEZBIFT-RTWAWAEBSA-N 423.532 3.567 0 50 HHAA CC[C@H]1CCCCN1C(=O)c1cn(CC(C)C)cc(C(=O)NC2CCCC2)c1=O 15007776 GJFSCVJLYDZGDB-SFHVURJKSA-N 401.551 3.581 0 50 HHAA NCc1ccc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)O[C@H](c3ccccc3)C2)cc1 1857712323 IVWQEIZBMJUNCZ-BJKOFHAPSA-N 416.477 3.829 0 50 HHAA O=C(O)[C@@H]1CN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)Cc2ccccc21 1875302878 KRPNSZAESUASSS-MRXNPFEDSA-N 403.360 3.939 0 50 HHAA COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(C(F)(F)F)c2)C3)cc1 6668405 WLSSGFBLIJBXDC-GOSISDBHSA-N 417.387 3.711 0 50 HHAA CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cccc3c2cnn3C)CC1 2325749601 QMBNGHYIUNOZQU-MRXNPFEDSA-N 424.524 3.737 0 50 HHAA O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc(Br)cc1 1022576 IFMOJBRIJWIKGE-UHFFFAOYSA-N 406.301 3.676 0 50 HHAA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(OC(F)(F)Cl)cc1 1069741 GANYQWYSUFIQBY-UHFFFAOYSA-N 411.821 3.561 0 50 HHAA Cc1cc(=O)n([C@H](C)C(=O)NCc2ccccc2)c2c1c(C)nn2-c1ccccc1 6916460 BXQKRECJNFVRNC-GOSISDBHSA-N 400.482 3.681 0 50 HHAA COc1ccc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)c(OC)c1OC 12112032 RTVCQUTZMWCGFS-UXSWERMXSA-N 408.498 3.655 0 50 HHAA Cc1ccc(OCc2cc(C(=O)N3CCCN(Cc4ccccn4)CC3)no2)cc1C 12308649 FDQRVHBGRDISGG-UHFFFAOYSA-N 420.513 3.614 0 50 HHAA CN(C[C@@H](O)COc1cccc(CNCCc2ccc(O)cc2)c1)C1CCCCC1 14980862 WWYPBZHLMBHBIR-XMMPIXPASA-N 412.574 3.729 0 50 HHAA CC(C)c1c(C(=O)NCCc2ccccn2)cnn1-c1nccc(-c2cccs2)n1 14981911 JVDYGBQCSGRJMI-UHFFFAOYSA-N 418.526 3.882 0 50 HHAA CCN(CC)[C@@H]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 20538489 KKXAUNXFZXYUKP-GOSISDBHSA-N 417.623 3.718 0 50 HHAA Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1Cc1ccc(Cl)cc1 54253553 VFWRDNOOWNVOTJ-UHFFFAOYSA-N 408.933 3.645 0 50 HHAA O=C(Nc1nnc(-c2cccs2)s1)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 55089439 KFASBHVPOIAPQS-HNNXBMFYSA-N 409.500 3.564 0 50 HHAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2C)C1 95518642 AKRVFIWXLHMBBF-HNNXBMFYSA-N 400.910 3.992 0 50 HHAA CCCOC(=O)c1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)cc1 170624669 GREVIGVBPSVSHK-CYBMUJFWSA-N 406.438 3.643 0 50 HHAA O=C(Nc1ccc(Br)c(Cl)c1Cl)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 239184771 QXSWRHUFVJWLPM-RKEMXIRASA-N 405.075 3.892 0 50 HHAA COc1ccc(-c2cc3c(=O)n(C[C@H](O)c4cc(C)c(C)cc4C)ccn3n2)cc1 263615383 CCGTVQBJHWGPGJ-QHCPKHFHSA-N 403.482 3.830 0 50 HHAA Cn1c(CCNC(=O)c2cccc3ccccc23)nnc1SCc1ccccn1 299779255 DYDOTAGMLWSKAZ-UHFFFAOYSA-N 403.511 3.628 0 50 HHAA Cc1cc(=O)c(-c2c(-c3ccc4c(c3)OCCO4)oc3cc(C)oc(=O)c23)c(O)o1 888089861 LGNRCGVCYXPBMK-UHFFFAOYSA-N 408.362 3.767 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@]4(CCc5cnc(C)nc54)C3)cc2)n1 1704300657 TYKKRXFWLUILKO-RUZDIDTESA-N 415.541 3.767 0 50 HHAA CC(C)=CCN1CCC2(CC[C@@H](Cn3ccnc3-c3cnn4cccnc34)O2)CC1 1875243899 CZGXLRFCBJKRIH-IBGZPJMESA-N 406.534 3.573 0 50 HHAA CC1(C)Cc2cccc(OC3CCN(C(=O)c4cccc(-n5cncn5)c4)CC3)c2O1 1875258768 HRYDIJYORQFEKE-UHFFFAOYSA-N 418.497 3.664 0 50 HHAA O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cnc(C(F)(F)F)s1 1875316330 JMEJZNFBGJBTEO-UHFFFAOYSA-N 401.801 3.573 0 50 HHAA C=CC(=O)N1CCC(C(=O)NCc2ccc(C(F)(F)F)o2)(c2ccccc2)CC1 1875369464 PSHFVILRADPPQJ-UHFFFAOYSA-N 406.404 3.661 0 50 HHAA COc1ccc(CCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1OC 795469 CYUIBIPBITUDQH-UHFFFAOYSA-N 416.949 3.928 0 50 HHAA CCn1ccc(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)n1 2779269 BSPJWSPNHIYQLP-ZDUSSCGKSA-N 413.547 3.518 0 50 HHAA CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccc(OC)c(OC)c1 4735954 BZAXZDDZRNHBEZ-LLVKDONJSA-N 419.532 3.558 0 50 HHAA COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)cc(F)c1)CC2 12135325 KUBJHSWSOUNDAJ-NRFANRHFSA-N 414.496 3.934 0 50 HHAA CCCCn1c(CN2CCCC[C@H]2CCO)cnc1S(=O)(=O)CCCC(C)C 12317361 DINGQWOQLUWMLU-IBGZPJMESA-N 413.628 3.630 0 50 HHAA COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)c(OC)n1 15062316 LNDRXVFMZLWFCX-GOSISDBHSA-N 406.486 3.709 0 50 HHAA COc1ccc(Cc2nc3ccc(C(=O)NCc4cc(C)no4)cc3o2)cc1OC 15077450 MISRQWGVOKKNJP-UHFFFAOYSA-N 407.426 3.662 0 50 HHAA CSc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C(=O)N1CCCC1 16648950 DEKATGSZTKWHGM-UHFFFAOYSA-N 418.540 3.648 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(C)cc3C)n2)ccc1C 16651742 IJNGBAIAHLVOBP-KRWDZBQOSA-N 418.497 3.994 0 50 HHAA CCc1c(C)sc2[nH]c(=S)n(NC(=O)CSCc3ccccc3)c(=O)c12 17083250 GBORGJSDNRXKEJ-UHFFFAOYSA-N 405.570 3.995 0 50 HHAA Cc1ccc([C@H]2SC[C@@H]3C(=O)N(c4cnn(Cc5ccccc5)c4)C(=S)N32)cc1 20606290 CSFONXPSIMLRBX-TZIWHRDSSA-N 420.563 3.988 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4cccc(F)c4C)CC3)nn2)nc1 77128457 YUEQPWLESHUPGL-UHFFFAOYSA-N 421.480 3.725 0 50 HHAA CCN(C[C@H]1CCCO1)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 91518919 UTZGBGUBIVQCJH-OAHLLOKOSA-N 401.488 3.813 0 50 HHAA COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 141820650 PMCNWQOSYVVSNW-YPFJJNLTSA-N 418.574 3.954 0 50 HHAA O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2 169759838 FQZZYHSWFXPYBC-IBGZPJMESA-N 415.808 3.928 0 50 HHAA COc1ccc(-c2ccc3nnc(CNC(=O)c4ccc(F)c(Cl)c4)n3n2)cc1 169778531 XCICIGICNOSGNI-UHFFFAOYSA-N 411.824 3.522 0 50 HHAA COCCN(Cc1ccc(C)o1)C(=O)c1c(C)nc2ccc(Br)cn12 225421846 UMZMOKGLJCKMDS-UHFFFAOYSA-N 406.280 3.595 0 50 HHAA O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 247735987 KPPACPZOJUCNOB-YTQUADARSA-N 416.543 3.847 0 50 HHAA COC(=O)C[C@@H](c1ccc(-c2ccccc2C(=O)O)o1)c1cc2c(cc1O)OCO2 253413732 VNUOLSVQJIBDTR-OAHLLOKOSA-N 410.378 3.774 0 50 HHAA biogenic Cc1cc(O)cc(=O)n1CCCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C(C)C 263587785 LEDBLXKSQNTAKZ-NRFANRHFSA-N 422.529 3.937 0 50 HHAA COc1cccc(-c2cn(CC(=O)c3ccc(Br)cc3)c(=N)n2C)c1 334157544 JHTXJVIJLGYKHF-UHFFFAOYSA-N 400.276 3.627 0 50 HHAA CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cc(O)n[nH]1 426701462 QFHBTXQLMQRSGA-HXUWFJFHSA-N 418.497 3.830 0 50 HHAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 498759227 VLJRQRGUOVALMR-MRXNPFEDSA-N 421.270 3.623 0 50 HHAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1csc(-c3cnccn3)n1)O2 670461907 WKKXSBRKYSFYEL-JOCHJYFZSA-N 424.526 3.631 0 50 HHAA Cc1cc(C(=O)COC(=O)c2nnc(O)c3ccccc23)c(C)n1Cc1cccs1 745883910 WCRQCXWUIDQNAS-UHFFFAOYSA-N 421.478 3.903 0 50 HHAA C[C@H](c1nc2ccccc2o1)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1875257791 OYPLASFLGVZSQX-QZTJIDSGSA-N 414.550 3.906 0 50 HHAA C[C@@H](c1nc2ccccc2o1)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1875257793 OYPLASFLGVZSQX-ZWKOTPCHSA-N 414.550 3.906 0 50 HHAA O=C(OCC1=Nc2ccccc2S(=O)(=O)N1)[C@@H](c1cccs1)C1CCCCC1 2325852913 XZOKCGKZDFLLMX-LJQANCHMSA-N 418.540 3.977 0 50 HHAA COc1ccc(N2CCC[C@@H](n3cc(-c4ccc(OC)c(Cl)c4)nn3)C2=O)cc1 2325873415 GLYOXKZFLHABBI-LJQANCHMSA-N 412.877 3.984 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)Nc2cc(Br)c3c(c2)OCO3)cc1 2325889948 GRGKFJXAMLPWQP-UHFFFAOYSA-N 403.232 3.579 0 50 HHAA O=C(NCc1ccco1)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCC2 799010 KZOIOYZMGKODAP-QGZVFWFLSA-N 424.478 3.538 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)Cc2ccccc2)cc1 842955 KXEBJLUEBOMYNJ-UHFFFAOYSA-N 424.522 3.833 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC(C)C)c3n2)cc1OC 844989 OOPLMZBLRLUIAZ-UHFFFAOYSA-N 408.380 3.571 0 50 HHAA COc1cccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccccc2)c1 1174018 ZWSSPFRRIQDIIS-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA Cc1cc(S(=O)(=O)NCc2ccccc2)c(C)c(S(=O)(=O)c2ccccc2)c1 1196306 SSXGJYMFRBKQCY-UHFFFAOYSA-N 415.536 3.615 0 50 HHAA Cc1ccc(-n2c3c(c(=O)[nH]c2=S)C(C(F)(F)F)(C(F)(F)F)NC(=O)N3)cc1 2883673 UDLYAEBUMZMMRF-UHFFFAOYSA-N 424.326 3.659 0 50 HHAA Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 4163845 UOSHCSGYPPXMJU-HDMKZQKVSA-N 412.795 3.752 0 50 HHAA CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C1=O 4845710 OJYXUZGMWZBEBE-QFGUUYLXSA-N 413.499 3.531 0 50 HHAA CCCN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)NCC 6624497 SBGOEDUILISTQX-XMMPIXPASA-N 402.498 3.756 0 50 HHAA biogenic CSCCC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55037119 AKFQZPKAIISOFW-SFHVURJKSA-N 415.525 3.572 0 50 HHAA CC[C@@]1(O)CCCN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)C1 67458049 WBIONJIBOBSWQD-HSZRJFAPSA-N 410.470 3.793 0 50 HHAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cc(OC)c(OC)cc1OC 4626588 YCBVBQSFBFHCBP-NRFANRHFSA-N 423.469 3.914 0 50 HHAA CC(C)Cn1c(CN(C)[C@H](C)c2ccon2)cnc1S(=O)(=O)Cc1ccccc1 39467015 SBWJRUFHGKBIHN-QGZVFWFLSA-N 416.547 3.694 0 50 HHAA COc1ccc(OC)c(NC(=S)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1 17093650 VSFHCSFAIDUVLJ-UHFFFAOYSA-N 423.560 3.590 0 50 HHAA C[C@H](OC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1)C(=O)c1ccccc1 136294643 PUWUJNRQSUOKTA-XTCWOQMQSA-N 417.461 3.816 0 50 HHAA Cc1nc2ccc(S(=O)(=O)N3CCC([C@@H](O)c4cccs4)CC3)cc2s1 952871907 GGADEUBISQBEQC-GOSISDBHSA-N 408.570 3.801 0 50 HHAA O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NCCc1cscn1 11813243 LJPOBAOJDHCJRJ-HSZRJFAPSA-N 407.539 3.627 0 50 HHAA COCCn1c(CN(C)[C@@H](C)c2cccs2)cnc1S(=O)(=O)CC(C)(C)C 15063145 MVLODLDPPBWYIM-HNNXBMFYSA-N 413.609 3.604 0 50 HHAA CC(C)/C=C/CN1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 15077799 YVXIUOOZOJHWKW-AATRIKPKSA-N 407.986 3.687 0 50 HHAA COc1cccc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1 15079773 JCMLENXIUNEDRW-NRFANRHFSA-N 413.949 3.775 0 50 HHAA COc1cccc(CN2CCn3c(Cc4cccc(Br)c4)nnc3C2)c1 225675123 DUGUPEAZBODSBR-UHFFFAOYSA-N 413.319 3.656 0 50 HHAA C[C@H](OC(=O)c1cc2nc[nH]c2cc1F)c1nc2cc(Br)cnc2[nH]1 328596532 AGEDFCBNEYMCEE-ZETCQYMHSA-N 404.199 3.654 0 50 HHAA O=C(OCc1cc(=O)n2ccccc2n1)c1cc(-c2ccccc2C(F)(F)F)on1 812919074 GWYWQAJTJAGIFM-UHFFFAOYSA-N 415.327 3.725 0 50 HHAA O=C(CC1CCCCC1)NC1CCC(C(=O)OCc2cccnc2-n2cccn2)CC1 1875263806 XQFATYBIEZZLIK-UHFFFAOYSA-N 424.545 3.956 0 50 HHAA COc1cc([C@H](C)NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)sn1 1875336245 AKMNKAJDEAIAPM-JTQLQIEISA-N 421.320 3.899 0 50 HHAA C[C@@H](NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)c1ccc2nc(O)[nH]c2c1 1320235021 LHVMZJVDXPYVPC-LLVKDONJSA-N 415.375 3.964 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)c1 1425536 QHAJZXMULOVSBN-FQEVSTJZSA-N 411.527 3.752 0 50 HHAA CCOc1ccccc1NS(=O)(=O)c1cc(Br)c(C)cc1OC 2882211 YRCJOWZKCSUOFH-UHFFFAOYSA-N 400.294 3.966 0 50 HHAA C[C@H]1CN(Cc2cccc(CNC(=O)c3cnc4c(F)cccc4c3)c2)C[C@@H](C)O1 2325745751 GOYRCWMCFDFBCJ-CALCHBBNSA-N 407.489 3.913 0 50 HHAA O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 1181029 XHSSIVRDIFRIBG-UHFFFAOYSA-N 412.486 3.698 0 50 HHAA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356165802 OYIDDZHDZFNEBM-YGDRIEADSA-N 400.478 3.514 0 50 HHAA COc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100244031 DMRCQKATQIAHDF-ZRBLBEILSA-N 414.461 3.742 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(Cc2cnc(SC)nc2)C1 55569004 QHNLWPDXPLZHIK-NRFANRHFSA-N 403.523 3.726 0 50 HHAA CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2nc(COC)no2)cc1 225732847 PQZRDJQBWMJOOI-GOSISDBHSA-N 416.522 3.572 0 50 HHAA COCc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)ccc1OC 22914465 YXPAOVPHNNTSEM-XMMPIXPASA-N 409.574 3.628 0 50 HHAA Cc1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)nc1-c1ccc2c(c1)CCC2 464089589 CQEKUMKGYNDFAB-UHFFFAOYSA-N 417.490 3.842 0 50 HHAA C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 248115875 SHTFPMVMGLVGSN-NFAWXSAZSA-N 419.360 3.614 0 50 HHAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12 409414280 OTSPUXOMYFUVKN-JTHBVZDNSA-N 411.590 3.850 0 50 HHAA biogenic COC[C@H]1CCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 11954407 UDUIOSCZTOVRNI-HNNXBMFYSA-N 403.910 3.621 0 50 HHAA CC(C)NS(=O)(=O)c1cccnc1N[C@H](c1cccc(F)c1)c1ccccn1 432877896 OEFZFFDBWZCTIJ-LJQANCHMSA-N 400.479 3.504 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)CCC4CCCCC4)CC3)nn2)nc1 72434100 OLKCIZPNLKCVTQ-UHFFFAOYSA-N 408.550 3.933 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2nc3ccccc3n2CC)C[C@H]1CCO 39379753 BPIAOUMJLQKJCG-OAQYLSRUSA-N 422.573 3.524 0 50 HHAA O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2c(Cl)cccc2Cl)CC1 17092590 CMMYGNSGCRGMCJ-UHFFFAOYSA-N 421.296 3.778 0 50 HHAA COc1cccc(C(=O)N2CC[C@H]3[C@@H](CCCN3C(=O)Cc3cccc(F)c3)C2)c1 43619880 CVOAOQCJMOPJKN-UGKGYDQZSA-N 410.489 3.530 0 50 HHAA COc1ccc(CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C2CCCC2)c2ccccc12 952866882 GWFXXCFGIZNKLD-GOSISDBHSA-N 409.530 3.910 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cc1 952965260 CHXPVKDRODMISM-LJQANCHMSA-N 402.516 3.527 0 50 HHAA CCCc1nc(C)c(C(=O)N2C[C@H](OC)C[C@H]2c2nc(-c3cccnc3)c[nH]2)s1 170591180 BLNBVMSJBHQAHC-WBVHZDCISA-N 411.531 3.791 0 50 HHAA COc1ccc(C2(CNC(=O)C[C@H]3c4ccccc4CCN3C(C)=O)CCC2)cc1 784580908 TXHWYYROJNCGLW-QHCPKHFHSA-N 406.526 3.769 0 50 HHAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1(N2CCCC2)CCCCC1 1704278135 BFNLKWLCDJJUKQ-NFBKMPQASA-N 407.558 3.707 0 50 HHAA O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1054078 JRSDGEBCMDJFKY-UHFFFAOYSA-N 407.904 3.779 0 50 HHAA O=C(/C=C/c1cccc2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1174199 BJPMUOSDFWBEJK-MDWZMJQESA-N 422.506 3.513 0 50 HHAA COC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 1207169 PNQZEAKIWIHYOK-UHFFFAOYSA-N 424.478 3.551 0 50 HHAA Cc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697555 XQTDBHPBUITSES-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA COc1ccc(-c2ccnc(-n3ncc(C(=O)N4CCCCC4)c3C3CC3)n2)cc1F 12098483 TVPVRXQQUWJGDE-UHFFFAOYSA-N 421.476 3.981 0 50 HHAA CCc1n[nH]c(C(=O)N(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)c1C 12209158 XDXKNLCTTBMMRE-UHFFFAOYSA-N 409.578 3.973 0 50 HHAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCc1ccc(F)c(F)c1)CC2 14536774 OQOCPGKUEJIHPJ-GOSISDBHSA-N 424.495 3.559 0 50 HHAA COc1cccc(OC)c1-c1cnnc(N2CCC(C(C)=O)(c3ccccc3)CC2)n1 14951279 WYDZVAHYXYMYER-UHFFFAOYSA-N 418.497 3.683 0 50 HHAA CN(CC(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1)Cc1ccncc1 15062216 YMUFRAYWGKSXIY-QHCPKHFHSA-N 401.510 3.788 0 50 HHAA OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CCN1CCc1ccccc1 19792502 LSHMMYOHQJABAR-JOCHJYFZSA-N 407.583 3.921 0 50 HHAA CCOc1cccc(-c2noc(-c3nnn4c3CO[C@@H](c3ccc(OC)cc3)C4)n2)c1 169758353 DROOLMUBOINJEV-LJQANCHMSA-N 419.441 3.674 0 50 HHAA CC(=O)N1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCC2=CCCCC2)C1 1875248249 GAGCZPKLJSZRCJ-VWLOTQADSA-N 417.557 3.699 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cc(Br)cc(C(F)(F)F)c2O)C1 2325889246 HIXHARFSNDPCCS-VIFPVBQESA-N 421.213 3.537 0 50 HHAA O=C(Nc1nnc(CCS(=O)(=O)c2ccc(Cl)cc2)s1)C1CCCCC1 866160 RBBFGUSJJDXWJR-UHFFFAOYSA-N 413.952 3.727 0 50 HHAA CC[C@@H](c1nc2ccccc2c(=O)n1-c1cccnc1)N1C(=O)c2ccccc2C1=O 1059119 FQAHDGRESNMTFF-FQEVSTJZSA-N 410.433 3.528 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 1156705 XLMMLKJXZVFCMT-UHFFFAOYSA-N 410.898 3.827 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1cc(C(F)(F)F)ccc1Cl 1166394 LIHPDYGMDGVVBY-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc2c(c1)OCO2 1184902 CNTKGRMQQYGWPT-FQEVSTJZSA-N 422.466 3.823 0 50 HHAA O=C(N[C@@H](Cc1cccc(O)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2583029 QTAKQPPYEQCJTJ-QFIPXVFZSA-N 403.434 3.927 0 50 HHAA COc1ccc(Cl)cc1C(=O)NC[C@@H](C)NC(=O)c1cc(Cl)ccc1OC 2752591 WNHXDVOZGBCVBN-LLVKDONJSA-N 411.285 3.559 0 50 HHAA COCCNC(=O)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl 2881956 MMDHUBYNWCBYEB-UHFFFAOYSA-N 410.898 3.727 0 50 HHAA Cc1ccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 2994330 HNUOHPWQWUHTGY-UHFFFAOYSA-N 418.534 3.774 0 50 HHAA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 5101181 MOTMVXLFBMXYGN-UONOGXRCSA-N 403.431 3.946 0 50 HHAA CC(C)(CN1CCOCC1)CN1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 11818543 NXFFABJVDABGQX-XMMPIXPASA-N 421.576 3.611 0 50 HHAA COC(=O)c1ccc(CN2CCN([C@@H](C)CCc3ccc(OC)cc3)CCC2=O)cc1 11909245 IYDGCZIUUHIJQP-IBGZPJMESA-N 424.541 3.537 0 50 HHAA COc1ccc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N(C)C)cc1C 12026845 GIQLMOHQCRXTSM-XLIONFOSSA-N 424.570 3.703 0 50 HHAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)c2cc(C)[nH]n2)C3)c1 12048337 SBBGLQSMKZCDJA-KRWDZBQOSA-N 407.445 3.769 0 50 HHAA CCc1nc(C)c(CN2CC[C@@]3(CCCN(Cc4cccc(OC)c4OC)C3)C2)[nH]1 12440644 ABJDURDDKUAGKB-XMMPIXPASA-N 412.578 3.786 0 50 HHAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2cccc3nonc23)C1 14951057 AKVZWAUMWGIDDZ-QHCPKHFHSA-N 409.486 3.619 0 50 HHAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)C(=O)c2ccccc2)C1 15064757 RMYYGXLHVSLSFR-HSZRJFAPSA-N 413.901 3.937 0 50 HHAA CCc1c(C)sc(NC(=O)COCC(=O)O)c1C(=O)Nc1ccc(Cl)cc1 17088688 RQZMSWLFGQKVCK-UHFFFAOYSA-N 410.879 3.564 0 50 HHAA COc1cc2c(cc1OC)CN([C@H]1CCCN(Cc3cccc(C(C)=O)c3)C1)CC2 19745121 WTQQWFDYLVQIKA-QHCPKHFHSA-N 408.542 3.929 0 50 HHAA Cc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4F)CC3)n2)cc1 67604767 YXMZRKASKXDLRR-UHFFFAOYSA-N 408.477 3.713 0 50 HHAA CN(C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)C1CCCCCC1 82092938 ROHNCMGJKZNKHB-JOCHJYFZSA-N 412.622 3.939 0 50 HHAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2C[C@@H]2C[C@H]3C=C[C@H]2C32CC2)cc1 104327030 YDIWGKPSKBPQID-LNRXMEIDSA-N 408.542 3.546 0 50 HHAA O=C1[C@@H](NCc2ccc(N3CCCC3)nc2)CCN1c1ccccc1C(F)(F)F 170597911 SSEARHHEKROFID-KRWDZBQOSA-N 404.436 3.596 0 50 HHAA C[C@@]1(C(=O)O)CCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 237645569 DCQCQOUPAFTBIO-PGRDOPGGSA-N 414.889 3.524 0 50 HHAA CN(C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1F 238950615 YZCSIIBTITZEQU-HNNXBMFYSA-N 409.285 3.853 0 50 HHAA O=c1c2cc(-c3cccc(Br)c3)nn2ccn1C[C@H](O)c1ccccc1 263617530 OGPVLGVGFZMRDV-IBGZPJMESA-N 410.271 3.659 0 50 HHAA Clc1ccc(-c2nc3sccn3c2CN2CCO[C@H](Cn3cccn3)C2)cc1 303300799 INIRQVUSWLEIDX-KRWDZBQOSA-N 413.934 3.814 0 50 HHAA NCCOc1ccc(Cl)cc1C(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1857720742 HVBFIAZOWVLKSX-LEWJYISDSA-N 400.906 3.670 0 50 HHAA CC(C)(C)N1CC[C@](F)(C(=O)NCc2cccc(-c3nc(-c4ccncc4)no3)c2)C1 2325736146 YZMNXLGADIJPOZ-HSZRJFAPSA-N 423.492 3.627 0 50 HHAA Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 2884129 ZRNOIKWBMPPDGI-SFHVURJKSA-N 416.543 3.966 0 50 HHAA CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(O)c(OC)c3)N2C1=O 22204895 CIOAIIKTUJCFJM-PGRDOPGGSA-N 419.481 3.961 0 50 HHAA C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 248112070 RDWLWYOLVMITEH-UPJWGTAASA-N 407.399 3.537 0 50 HHAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 20117763 WWZRPVKCHUPDIO-OAQYLSRUSA-N 419.481 3.851 0 50 HHAA Cc1nn(C(F)F)c(C)c1S(=O)(=O)Nc1cnn(Cc2ccccc2Cl)c1 2805015 JWFXNWHSCOBECR-UHFFFAOYSA-N 415.853 3.594 0 50 HHAA Cc1nc2ccc(C(=O)N3CCC[C@](CO)(CCOc4ccccc4)C3)cc2nc1C 12443827 BOGXVSFAULALOE-VWLOTQADSA-N 419.525 3.930 0 50 HHAA COC(=O)[C@@H]1[C@@H](c2ccc(SC)cc2)c2c(O)nn(-c3ccccc3)c2C[C@]1(C)O 252515322 IRXHRWZNTUIOGA-LEDOBFOHSA-N 424.522 3.528 0 50 HHAA COc1ccccc1CN(CCCO)C(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 828753673 WUNYWSVPKLKTHP-NRFANRHFSA-N 424.541 3.583 0 50 HHAA COc1nc2ccccc2nc1CCC(=O)N1CCC[C@H](c2nc(CC(C)C)no2)C1 1506403595 CQWHGRITTMEDBL-INIZCTEOSA-N 423.517 3.559 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 1158653 YZNJOVPBIYUNAQ-UHFFFAOYSA-N 402.472 3.877 0 50 HHAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C[C@H](C)c3ccccc3)cc2)n1 917621 PYSLSHYZMGMNRC-HNNXBMFYSA-N 410.499 3.718 0 50 HHAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3cn(Cc4ccc(F)cc4)nn3)[nH]c2c1 11664698 WRNRACPDMWLVSN-HXUWFJFHSA-N 404.449 3.628 0 50 HHAA CCCc1cc(C(=O)N(CCOC)CC2CCN(Cc3ccccc3F)CC2)no1 12197952 NYOVBEDXTMRAAI-UHFFFAOYSA-N 417.525 3.767 0 50 HHAA COc1ccc(/C=C/C(=O)N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)cc1 12314577 VEPUHYQBWMRXOO-CRAXIPPQSA-N 401.453 3.830 0 50 HHAA CN(CCc1ccccn1)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 12320022 RLCFHGYDIYMVKG-UHFFFAOYSA-N 405.376 3.982 0 50 HHAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N(C)CCCC2CCCC2)CC1 12385950 QVUHWEMUPSSFFR-UHFFFAOYSA-N 416.562 3.745 0 50 HHAA O=C(Nc1ccccc1)[C@H]1CC12CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2 14883769 QRDIQLYNMPOJHY-GOSISDBHSA-N 402.450 3.674 0 50 HHAA CNS(=O)(=O)c1cc(-c2ccc(NCc3ccccc3Cl)nn2)ccc1C 16661345 HUOIEELVKPUFGN-UHFFFAOYSA-N 402.907 3.626 0 50 HHAA C[C@@H](C(=O)NCCSC1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 6690837 QPVZJKLSRPESSC-AWEZNQCLSA-N 419.012 3.677 0 50 HHAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NCc1ccc(F)c(Cl)c1 1857708537 YSBKGZQUQQVFNC-CQSZACIVSA-N 402.857 3.938 0 50 HHAA COc1ccc2[nH]c(C(=O)N3CCO[C@@H](CN4CCCC4)[C@@H]3c3ccccc3)cc2c1 1857739057 BFYMZVGDTMWRGU-ZEQRLZLVSA-N 419.525 3.855 0 50 HHAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 844404 QWRRGCMLBCNIRF-XMSQKQJNSA-N 422.481 3.616 0 50 HHAA biogenic CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(Cc2cccs2)C1=S 1123155 SCDWOTAGBOXUFE-OAHLLOKOSA-N 407.948 3.748 0 50 HHAA COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc12 4660866 NVHOSZGRIAKWDV-UHFFFAOYSA-N 417.483 3.962 0 50 HHAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@@H](O)CC(=O)O 2562451 QYPPYPBSORZTKU-PMACEKPBSA-N 415.486 3.537 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1C 2653664 FSKOJOKUSDQOLL-UHFFFAOYSA-N 414.449 3.960 0 50 HHAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 2857808 DAGYTGGBYWXSKA-QFIPXVFZSA-N 420.490 3.809 0 50 HHAA O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)NC12CC3CC(CC(C3)C1)C2 4191794 XOLWHVLUFVZJCJ-UHFFFAOYSA-N 414.569 3.606 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc4ccccn34)CC1)OCC2 2356158815 ARSFZUACFVCXJD-UHFFFAOYSA-N 406.482 3.661 0 50 HHAA CC(=O)Nc1ccc2nc(CN3CCC[C@@]4(CCc5cnc(C)nc54)C3)ccc2c1 2356160215 IWADQPFEXANRRT-XMMPIXPASA-N 401.514 3.772 0 50 HHAA Cc1c(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)[nH]c2c(C)cccc12 22853390 MPJRRJUUIIWNGW-JOCHJYFZSA-N 412.622 3.526 0 50 HHAA COC(=O)[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCc2ccccc2C1 35900515 LHFPKCSLFHZBJD-SFHVURJKSA-N 407.297 3.922 0 50 HHAA NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 4180069 DIKJZBPRGIMLAY-OLZOCXBDSA-N 404.875 3.773 0 50 HHAA O=S(=O)(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc(Br)s1 4751254 IXXFSTPRQJCHJA-UHFFFAOYSA-N 420.394 3.774 0 50 HHAA Cn1ccnc1C[C@H]1CCCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)C1 483281267 SRKRMXYITQOLGB-OAHLLOKOSA-N 413.909 3.537 0 50 HHAA O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc2nsnc12 13324506 GYTCQVVZNBPEIK-UHFFFAOYSA-N 422.341 3.759 0 50 HHAA CN(C)c1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)cc1 238950216 XDONMSVVLMMOOQ-IYARVYRRSA-N 404.514 3.908 0 50 HHAA CC[C@@H](C)[C@@H](NC(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)c1nc2ccccc2[nH]1 252478256 AGYDWFINBUOKQY-MPBGBICISA-N 405.506 3.821 0 50 HHAA COc1ccc(CN2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CCC2=O)cc1 299762657 WBKZXNGENFGNEF-UHFFFAOYSA-N 420.431 3.518 0 50 HHAA C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C[C@@H](C)O1 195531408 KCGBMBLVHXJRCV-JXXFODFXSA-N 400.906 3.837 0 50 HHAA CNC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cn1 750215450 HBRYJQKWSVMAFA-ZDUSSCGKSA-N 406.282 3.920 0 50 HHAA COC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 662299 KDQXOHXACSOJEE-UHFFFAOYSA-N 424.478 3.835 0 50 HHAA O=C(CSc1nnc([C@@H](O)c2ccccc2)n1-c1ccccc1)NC1CCCCC1 643218 MRMKBEWFMRDABX-NRFANRHFSA-N 422.554 3.890 0 50 HHAA CCN1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2cccs2)CC1 5027986 DCJFELGFJXMHMT-UHFFFAOYSA-N 408.980 3.670 0 50 HHAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)c1 11665504 VGMHYUOAEMIFKT-IBGZPJMESA-N 419.525 3.738 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)CSc2ccncc2)C1 11821117 OKPOFHACXRJEAS-QHCPKHFHSA-N 412.555 3.897 0 50 HHAA Cc1nn(C)cc1CN1CCC2(CC1)C[C@H]2C(=O)NCC1(c2ccccc2)CCCC1 11982411 WEULZRMPVXCXHO-QHCPKHFHSA-N 420.601 3.959 0 50 HHAA Cc1nc(CN(C)C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cs1 12204955 BWZXAGZGOZNJDX-UHFFFAOYSA-N 413.543 3.504 0 50 HHAA CCn1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1C 13881358 LMWHJAQVMJDVNU-YVLHZVERSA-N 401.463 3.939 0 50 HHAA CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(-c3ccco3)cc1)CC2 14950512 SLARTPYQDGFRHH-OAQYLSRUSA-N 421.545 3.820 0 50 HHAA CN(C[C@@H](O)COc1cccc(CNCCOc2ccccc2)c1)C1CCCCC1 14975364 GDRYLGHEUJHSGX-HSZRJFAPSA-N 412.574 3.859 0 50 HHAA Cc1ccccc1CCN1CCC(CN(C(=O)c2ccc(O)nn2)C2CCCC2)CC1 14975674 WEGFSIUZJGBBLJ-UHFFFAOYSA-N 422.573 3.830 0 50 HHAA Cn1c(SCc2ccncc2)nnc1C1CCN(Cc2ccc3c(c2)OCO3)CC1 14993953 YOSGWZWOSVOWSV-UHFFFAOYSA-N 423.542 3.611 0 50 HHAA Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3F)C2)s1 14991966 BFBWFNSVIAQSNR-MJGOQNOKSA-N 400.519 3.891 0 50 HHAA O=S(=O)(c1ccc(Cl)cc1Br)N1CCN(c2ccccc2)CC1 16671723 CWXQPVDGNLNGNR-UHFFFAOYSA-N 415.740 3.613 0 50 HHAA Cc1ccc(-c2nnc(CCC(=O)NCc3cnn(-c4ccccc4C)c3)o2)s1 19866157 XAOGDRRYIHSKFY-UHFFFAOYSA-N 407.499 3.850 0 50 HHAA C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC[C@@H]1CCCO1 901045 CRDIITAEENWPCU-OCCSQVGLSA-N 411.449 3.938 0 50 HHAA CC(C)n1ncc(C(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)c1C1CC1 498154341 RMPGRDQFRNNQDS-UHFFFAOYSA-N 412.515 3.747 0 50 HHAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 498759226 VLJRQRGUOVALMR-INIZCTEOSA-N 421.270 3.623 0 50 HHAA Cc1cc(C)n(-c2cccc(NC(=O)c3nn4cccnc4c3Br)c2)n1 1875322866 KYTRSWPPIURVIU-UHFFFAOYSA-N 411.263 3.547 0 50 HHAA O=C(N[C@@H](COc1ccccc1C(F)(F)F)c1ccccc1)c1cnnc(O)c1 1875331690 USQVDNONTRLHFG-INIZCTEOSA-N 403.360 3.751 0 50 HHAA O=C(CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1)N1CCOc2ccccc21 1875327234 QKYWTSJCLATKBQ-HXUWFJFHSA-N 418.497 3.822 0 50 HHAA Nc1ncc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1Cl 2325703884 SEQRNHQUNPVBOC-LBPRGKRZSA-N 401.829 3.526 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)C1 2325889469 RYKQGLFLYOJCQS-YOEHRIQHSA-N 423.376 3.567 0 50 HHAA Cc1ccc(N([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 1064891 ZCWPBKBIRFPGIU-CYBMUJFWSA-N 400.422 3.807 0 50 HHAA COc1cc([C@H]2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)cc(OC)c1OC 1420865 PSLIFICHYBDCLL-CYBMUJFWSA-N 401.459 3.827 0 50 HHAA O=C(NCCCn1ccnc1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 4892245 UIGBWXQTYVCZJA-HKWRFOASSA-N 408.889 3.514 0 50 HHAA CC[C@H](C)CNC1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 11783486 BHJGQJKOPPBAOG-SFHVURJKSA-N 423.557 3.950 0 50 HHAA CCOc1cc(CN2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)ccc1O 11839556 FGVRGRQLQIVSIV-NRFANRHFSA-N 424.541 3.735 0 50 HHAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C2CCSCC2)CC1 12072531 FYYWRMJJYXQDHF-UHFFFAOYSA-N 414.575 3.823 0 50 HHAA Cc1cc(C)n(-c2cccc(CN(C)Cc3nc(-c4ccc5c(c4)OCO5)no3)c2)n1 12197504 JXVMTMPOJDHRCH-UHFFFAOYSA-N 417.469 3.900 0 50 HHAA Cc1c(C(=O)N(C)[C@H]2CCOC2)sc2ncnc(NCc3cccc(F)c3)c12 12244596 WVLHMGYOYXPZHD-HNNXBMFYSA-N 400.479 3.612 0 50 HHAA COc1cc(C[C@]2(CCC(=O)N[C@@H]3CCCc4ccccc43)CCC(=O)N2)ccc1F 14965109 KCEWKDGSVUALEE-BWKNWUBXSA-N 424.516 4.000 0 50 HHAA COc1ccc(CN2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)cc1OC 14988510 WAMMFDZHYNKXNX-YADHBBJMSA-N 408.542 3.759 0 50 HHAA CCOC(=O)CNC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 15074292 IFNQNTCPUAESCI-GOSISDBHSA-N 412.461 3.660 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c(OC)c1 17987707 NPGUXZQIKULGPZ-ROUUACIJSA-N 408.454 3.636 0 50 HHAA CN1CCN(C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)CC1 20600737 GYFWNOBNCLUVLA-UHFFFAOYSA-N 420.601 3.864 0 50 HHAA O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/C(F)(F)COc1ccccc1 43772553 KIQXRQVVYTYYAZ-KBYYNQAYSA-N 410.457 3.816 0 50 HHAA in-man Cc1cc(C)n2ncc(C(=O)N3CCC(c4[nH]ncc4-c4ccccc4)CC3)c2n1 67855904 NDRHINWIWFKTGU-UHFFFAOYSA-N 400.486 3.756 0 50 HHAA COc1cc(CN2CCCCC23CC3)ccc1OC[C@@H](O)CN1CCCCCC1 95505845 KFLNTHHBPLROGZ-NRFANRHFSA-N 402.579 3.829 0 50 HHAA COc1ccc2c(c1)O[C@H](C)CN(CC(=O)N1CCC[C@H]1c1ccccc1OC)C2 299793876 KLAUQPQMTSBYEQ-UTKZUKDTSA-N 410.514 3.650 0 50 HHAA Cc1cccc(CCNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)n1 426374180 KQHZSNMSANIAET-UHFFFAOYSA-N 410.543 3.587 0 50 HHAA O=C(NC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)OC3)C1)OCc1ccccc1 808887145 OTKGPZNEEQEMDJ-QGZVFWFLSA-N 423.469 3.527 0 50 HHAA Cc1ncc(CN(CCN(C)C)C(=O)CCc2ccc(-c3ccc(Cl)cc3)[nH]2)[nH]1 1704316021 IUHVHXJZLPBRGH-UHFFFAOYSA-N 413.953 3.890 0 50 HHAA CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1 1857523237 LHRXHTKENPCGSZ-NSHDSACASA-N 405.392 3.883 0 50 HHAA O=C(c1ccnc(N2CCc3[nH]nc(-c4ccccc4)c3CC2)c1)N1CCCCC1 1857676686 LCASPLBCJFNPEC-UHFFFAOYSA-N 401.514 3.703 0 50 HHAA COc1ccc(C(=O)N[C@H]2COc3ccccc32)cc1Oc1cc(F)cc(CN)c1 1857684157 AYGHNMUOUMZSQM-IBGZPJMESA-N 408.429 3.949 0 50 HHAA Cc1[nH]nc(CCC(=O)N[C@H]2CCCC23CCN(CCc2ccccc2)CC3)c1C 1857698377 NZORUJFXSRGMSX-QHCPKHFHSA-N 408.590 3.953 0 50 HHAA O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857712693 MIUWAHLDLSOBJD-OAQYLSRUSA-N 401.869 3.972 0 50 HHAA C[C@H]1CN(Cc2cccc(CNC(=O)c3cnn(-c4ccccc4F)c3)c2)C[C@H](C)O1 2325717961 UFDJWMYDMFQOTD-ROUUACIJSA-N 422.504 3.551 0 50 HHAA O=C1Cc2c(C(=O)Nc3nc4ccccc4n3Cc3ccc(Cl)cc3)ccnc2N1 2325841364 QTVNKWZFHYQWHT-UHFFFAOYSA-N 417.856 3.880 0 50 HHAA O=C(c1cc(CO)ccn1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2CC1CCCCC1 2356160050 ASWIHODADRSJIC-KJBBBAAKSA-N 411.590 3.859 0 50 HHAA Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@@H](c1ccccc1F)CC(=O)N2 65363616 LJNMUOXYSRBDRW-MRXNPFEDSA-N 406.465 3.574 0 50 HHAA Cc1ccc(CN2CCC(C(=O)NCc3nc(-c4cccc(C)c4)no3)CC2)cc1 67629742 YZPQIVZHCGJDOC-UHFFFAOYSA-N 404.514 3.882 0 50 HHAA O=C([C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 475467470 NQUGTUPODPSFQI-PGVQZUNNSA-N 419.500 3.976 0 50 HHAA O=C(Nc1cccc(N2CCCNC2=O)c1)N1CCC(c2c[nH]c3ncccc23)CC1 438532641 WQRMWUOSEAUURV-UHFFFAOYSA-N 418.501 3.894 0 50 HHAA CC(C)c1ccc(N2C[C@H](C(=O)NCCCc3nc4ccc(F)cc4[nH]3)CC2=O)cc1 827696011 HSVCBNWBHXKLGH-QGZVFWFLSA-N 422.504 3.927 0 50 HHAA CN1CC[C@]2(CCCN(C(=O)c3ccccc3-c3nc(-c4ccccc4)no3)C2)C1 952989492 NABDZBHWUKMUCO-XMMPIXPASA-N 402.498 3.962 0 50 HHAA CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C(=O)N(C)C)nc3)c12 1462683990 SEGMLJJBNWNWLK-UHFFFAOYSA-N 419.441 3.784 0 50 HHAA C=CC(=O)Nc1cc(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)ccc1F 792216700 ZHKDCRSIAFCBTK-INIZCTEOSA-N 405.223 3.655 0 50 HHAA CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)c(Cl)cc1Cl 1143025 XTVDXHIMPJAUSV-UHFFFAOYSA-N 409.241 3.774 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@H]2CCCCN2C)CC1 12091544 QADHOKXPHAWPEF-OAQYLSRUSA-N 400.563 3.666 0 50 HHAA CC(=O)Nc1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c1 12456020 LBEVJZTVTFCBAC-MRXNPFEDSA-N 420.918 3.582 0 50 HHAA CC[C@@H](C)Sc1nnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 16648594 QBDDTXOVHBVGKO-LLVKDONJSA-N 410.590 3.981 0 50 HHAA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 19770900 VHXSPZGBBNNSHL-CQSZACIVSA-N 406.257 3.572 0 50 HHAA COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1C 2837900 FISZMZPJURLSKF-UHFFFAOYSA-N 410.543 3.863 0 50 HHAA CC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)c(Cl)c(C)c2)CC1 2885185 GKSUQNVIRMKTDT-UHFFFAOYSA-N 415.921 3.643 0 50 HHAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NCCCOC1CCCCC1 1857730226 MGRKASHCTCALLA-QGZVFWFLSA-N 400.523 3.685 0 50 HHAA Cc1cc(N2CCC(NC(=O)N[C@H]3CCOc4c(Cl)cccc43)CC2)nc(C)n1 489279809 RTCLMSWQSVEBJG-SFHVURJKSA-N 415.925 3.539 0 50 HHAA CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccnc(N3CCC(C4CCC4)CC3)n2)C1 1875330647 XEPHPZIHPDSRCZ-GOSISDBHSA-N 401.555 3.597 0 50 HHAA Cc1nc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)sc1C(=O)N1C[C@H](F)[C@H](F)C1 1875329827 FPPVIIJLGCXDOP-MELADBBJSA-N 415.506 3.698 0 50 HHAA COc1ccc(CCNC[C@H](O)c2cccc(Br)c2)c(Cl)c1OC 4689989 GAKKCKOWLURTEK-HNNXBMFYSA-N 414.727 3.985 0 50 HHAA CCO[C@H]1C[C@@H]1C(=O)NC1(C(=O)Nc2ccc(Br)cc2)CCCCC1 2325824157 RKJFRKJDXWJVAO-HOTGVXAUSA-N 409.324 3.632 0 50 HHAA Cc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccc(C)cc3)n2)cc1 682455 ZCVPUNQOZJWOKU-UHFFFAOYSA-N 405.454 3.733 0 50 HHAA O=C(c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCSCC1 866665 QGXBJKKEGIDPAJ-DGCLKSJQSA-N 402.467 3.794 0 50 HHAA COc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 887515 HVMGDHRINCBNNB-UHFFFAOYSA-N 420.506 3.796 0 50 HHAA COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1 4412824 FQEBANUXHHOZFC-UHFFFAOYSA-N 405.454 3.503 0 50 HHAA COc1ccccc1C1=N/C(=C\c2cccc(I)c2)C(=O)O1 4991881 YQEPAXYHYMAHLT-UVTDQMKNSA-N 405.191 3.644 0 50 HHAA CC(=O)N1CCC(C(=O)NC[C@@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)CC1 12056443 WPVJENMLXAYQPU-SFHVURJKSA-N 418.946 3.747 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(OC)c(OC)c3OC)C2)cc1F 12200974 FANWZABIYGJGJQ-MRXNPFEDSA-N 417.477 3.955 0 50 HHAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4c[nH]nc4C)C3)cc2)c1 12302261 LWUDQMVYRNXHSZ-IBGZPJMESA-N 418.497 3.885 0 50 HHAA O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CCC[C@@H](CO)C1 12446703 YSSFXRAKDBIDCN-GFCCVEGCSA-N 409.433 3.926 0 50 HHAA COc1ccc(N2C(=O)CN(Cc3ccc(NC(C)=O)cc3)CC23CCCC3)cc1 14978134 ZPBUGFSSXXAKFK-UHFFFAOYSA-N 407.514 3.815 0 50 HHAA O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cnc2sccn2c1=O 16649923 UATGNJKFWFUDRB-UHFFFAOYSA-N 409.854 3.893 0 50 HHAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)cc1OC 20999162 ISELDSYKXJQDAY-SFHVURJKSA-N 420.985 3.538 0 50 HHAA O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(c2cc(NCCO)ncn2)C1 71764873 YEGHCPFXOSFABV-OAQYLSRUSA-N 402.498 3.647 0 50 HHAA O=C(N[C@H]1CCCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)C1)c1ccc2c(c1)OCO2 169753378 RHSVTAUEKYBOIY-KRWDZBQOSA-N 424.888 3.858 0 50 HHAA COc1cc(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)cnc1Cl 767448095 FAYGPAFBUJGIJZ-UHFFFAOYSA-N 405.863 3.518 0 50 HHAA O=C(Cn1ncc2ccccc21)NC[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 827863975 KYJKWLYWOOYSTC-SFHVURJKSA-N 402.498 3.811 0 50 HHAA O=C1CC[C@]2(c3ccccc3)N1c1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 1775970927 KLNYGQPDPOMXJR-VWLOTQADSA-N 406.445 3.814 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N=[S@@](C)(=O)c2ccc(Br)cc2)cc1 1875373464 BPIMQTLYLJTAJF-VWLOTQADSA-N 421.316 3.895 0 50 HHAA CC(C)C[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2Cc1ccccc1)C(=O)O 2325745119 PSBCRTXCNSGOOY-FQEVSTJZSA-N 406.486 3.586 0 50 HHAA COc1ccccc1OCCCOc1c(/C=C2\SC(=O)NC2=O)cccc1OC 4755094 ZGMVRMPMUDHUJD-AQTBWJFISA-N 415.467 3.876 0 50 HHAA CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccc(F)c1 9426897 CQARTRVUSHSLHE-UHFFFAOYSA-N 414.462 3.606 0 50 HHAA FC(F)(F)c1nnc2ccc(NCCC3CCN(Cc4ccccc4)CC3)nn12 20717002 VXZSONQIKZIREK-UHFFFAOYSA-N 404.440 3.857 0 50 HHAA CCc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 20455792 QNDHJIOGOFHUCT-HSZRJFAPSA-N 420.601 3.985 0 50 HHAA CCO[C@@H]1C[C@@H](NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)C12CCOCC2 471554241 GHCNBDOBAYUZGI-QZTJIDSGSA-N 410.436 3.901 0 50 HHAA Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2c(Cl)c(C)nn2C)cc1 2767487 YMNKTNJHMGWQSU-UHFFFAOYSA-N 418.906 3.743 0 50 HHAA O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(O)(Cc2ccc(F)cc2)CC1 483312259 HGRXLDKWUONVLB-FGZHOGPDSA-N 412.505 3.825 0 50 HHAA O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1cccc2c[nH]nc12 446493009 DAIHEPUWOXVBFQ-UHFFFAOYSA-N 405.376 3.897 0 50 HHAA Cn1cc(C(=O)NCc2ccccc2Cl)c(C(=O)NCc2ccccc2Cl)n1 20616896 BPUBSSHTZUHCTB-UHFFFAOYSA-N 417.296 3.587 0 50 HHAA O=C(c1ccccc1Cl)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239164791 MXOPGELMGWMTLK-AFHBHXEDSA-N 424.859 3.844 0 50 HHAA O=C(CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Nc1ccc(Cl)cn1 23095836 VPVWTEXLVXAUAH-UHFFFAOYSA-N 413.736 3.798 0 50 HHAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1C 245311648 PNWRSFZTCKAQCO-ANULTFPQSA-N 422.912 3.792 0 50 HHAA Cc1noc([C@H](NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)C(C)C)n1 170625497 RMNIEVLHSOSACF-VQTJNVASSA-N 405.454 3.959 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c(C)c1C 170633449 WTUNSWJQWHFQFH-AZUAARDMSA-N 405.516 3.795 0 50 HHAA O=C(O)[C@@H]1CC[C@H](c2nc3ccc(Cl)cc3c3nc(=O)c(-c4ccccc4)nn23)C1 170620159 MZJANNJFIYBDHZ-UONOGXRCSA-N 420.856 3.926 0 50 HHAA Cc1nc(NC(=O)[C@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)sc1C 170647887 RKMUYTOSFNYAHM-SMDDNHRTSA-N 418.500 3.775 0 50 HHAA COc1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1OC 1018986 JONGOYMUOSEBMW-UHFFFAOYSA-N 416.275 3.963 0 50 HHAA COc1ccc(/C=C/C(=O)NC(=S)Nc2cc(Br)ccc2O)cc1 1209094 XSZXZZYXVFTKKK-RUDMXATFSA-N 407.289 3.690 0 50 HHAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)Cc2sc(C)nc2C)C1 12053367 JHNNAYFIPSSUKS-IBGZPJMESA-N 415.603 3.724 0 50 HHAA COc1ccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc1F 169753592 ASZSKFAUMVBGAZ-KRWDZBQOSA-N 412.440 3.762 0 50 HHAA O=C(N[C@H](Cc1cccc(Cl)c1)C(=O)O)c1cccc(OCc2cccnc2)c1 1857531527 MDDKZQHFQXSYRB-HXUWFJFHSA-N 410.857 3.740 0 50 HHAA COc1cccc2c(C)cc(N3CCN4C(=O)OC[C@@]4(Cc4ccccc4)C3)nc12 1875243741 UZYSKVNWGGHLPF-XMMPIXPASA-N 403.482 3.806 0 50 HHAA CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(F)c(Cl)c1 225517235 GGDMLNFVTKPHIU-GOSISDBHSA-N 423.897 3.938 0 50 HHAA Cc1ncn(Cc2cccc(NC(=O)c3cccc(CN4CCCC4=O)c3)c2)c1C 1875262508 BERDUYZUJPTKGQ-UHFFFAOYSA-N 402.498 3.923 0 50 HHAA O=C(c1ccccc1)N1C[C@@H]2[C@H](CCN2c2nc(C(F)(F)F)nc3ccccc23)C1 1775988542 VACPOPZJJYXXTP-CRAIPNDOSA-N 412.415 4.000 0 50 HHAA COc1cccc2cc(C(=O)Nc3ccc(I)cc3)c(=O)oc12 8425332 LUWROIYIKINVMR-UHFFFAOYSA-N 421.190 3.659 0 50 HHAA C[C@@H]1CN(Cc2cccc(CNC(=O)c3cnc4c(F)cccc4c3)c2)C[C@@H](C)O1 2325745752 GOYRCWMCFDFBCJ-IAGOWNOFSA-N 407.489 3.913 0 50 HHAA O=C(NCC(F)F)[C@H](c1ccccn1)N(C(=O)c1ccccc1)C1CCCCC1 2325826570 FZMCAQAOYOGVJY-FQEVSTJZSA-N 401.457 3.979 0 50 HHAA CO[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](C)c2ccc(-c3ccccc3Cl)cc2)CC1 2325828210 BAFIEFPWUSLRGL-IRXDYDNUSA-N 414.933 3.816 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccccc1O 1078522 WJKBCUKGZYWQMU-UHFFFAOYSA-N 408.405 3.819 0 50 HHAA Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CC2CCCCC2)nc(C)n1 2356155160 ZQGVLWYEJRWSCX-VAPSRWTKSA-N 424.589 3.905 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)cc1OC 3853160 WQUSUISZXIYNGW-WQRHYEAKSA-N 406.467 3.695 0 50 HHAA CCCc1ccc(OCCNC(=O)CCNC(=O)Nc2cccc(Cl)c2)cc1 4601219 OBFHWZIXDRMTLL-UHFFFAOYSA-N 403.910 3.999 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc4cccnc34)C[C@@H]2CCO)cc1C 23374082 VVVGLEUFUMRMIO-QHCPKHFHSA-N 405.542 3.621 0 50 HHAA O=C(Cc1ccc(O)cc1)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67490789 WYWCVCZIKYEFPH-UHFFFAOYSA-N 402.429 3.842 0 50 HHAA Cc1ccc(N2CCN(C[C@@H](O)COc3ccc4c(c3)CCC4)CC2)cc1Cl 20406646 VNWNWNDELPKDCU-OAQYLSRUSA-N 400.950 3.699 0 50 HHAA COc1ccc(-c2ncc(CN3CCC(CO)(C[C@@H]4CCCCO4)CC3)cn2)cc1 11934979 CYVVINVVXOFQSQ-QFIPXVFZSA-N 411.546 3.686 0 50 HHAA Cc1cccc(Cn2cc(NS(=O)(=O)c3ccc(Br)s3)cn2)c1 2804507 BTSVXZYNRQXQAL-UHFFFAOYSA-N 412.334 3.865 0 50 HHAA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Cl 4653384 MSUCDDXSSCZWCT-MRXNPFEDSA-N 402.299 3.966 0 50 HHAA O=C([C@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCC([C@H](O)c2ccccc2)CC1 15001340 WMXYRKTXRKRZNF-FGZHOGPDSA-N 412.917 4.000 0 50 HHAA C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 239305950 GFWDVHDPAHYDLP-OHLVHEOESA-N 410.942 3.512 0 50 HHAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 95503511 WWCYHWFNGWNBMS-XMMPIXPASA-N 404.466 3.742 0 50 HHAA C[C@H](NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1)c1ccccc1 239128750 KSSYLYDKBUDIEJ-MPIFPGCRSA-N 412.489 3.735 0 50 HHAA CC(C)c1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCCCO4)CC2=O)cc1 822264202 YZJSRKZRPNCFPW-LJQANCHMSA-N 408.498 3.641 0 50 HHAA CCc1ccc(CN2C[C@H](C(=O)NC3CCN(c4cccc(C)c4)CC3)CC2=O)cc1 670438619 IMJKDTODTKIPJP-JOCHJYFZSA-N 419.569 3.691 0 50 HHAA CC(=O)N1CCN(Cc2cccc(NC(=O)CCc3nc4ccccc4s3)c2)CC1 170602466 TZKLEXATLYJQPI-UHFFFAOYSA-N 422.554 3.532 0 50 HHAA CCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)n1 170624938 BIIDITDSWPNINO-CABCVRRESA-N 421.328 3.634 0 50 HHAA COc1ccc(OC)c([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC2CCCCCC2)c1 629302 URKOBZMJLYENIP-HXUWFJFHSA-N 402.491 3.940 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cccc4ncccc34)CC1)OCC2 1704298772 NNTDLTUJHAQADJ-UHFFFAOYSA-N 418.493 3.956 0 50 HHAA COC(=O)C1=CN(C2CCCC2)C=C(C(=O)OC)C1c1ccc(Br)cc1 1140931 CVOBPFSNZZJKSK-UHFFFAOYSA-N 420.303 3.905 0 50 HHAA Cc1cc(Br)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C 1174366 ZIMLSUNWWGPRKO-UHFFFAOYSA-N 409.349 3.577 0 50 HHAA Cc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1 1190014 HPUQBYGHCFIQLG-UHFFFAOYSA-N 422.550 3.990 0 50 HHAA Cc1c(Cl)cccc1NC(=O)CSCC(=O)N1CCN(c2ccccc2)CC1 5050891 STTRMVAECIXPHO-UHFFFAOYSA-N 417.962 3.669 0 50 HHAA O=C(Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1)c1ccccc1Cl 11817047 FSUIKEKFHPXTDI-UHFFFAOYSA-N 414.893 3.711 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 11996101 SSQYYABUQGKFLY-LJQANCHMSA-N 402.450 3.530 0 50 HHAA O=C(NCc1cccc(OC(F)(F)F)c1)c1cn(CCCc2ccccc2)nn1 12587343 AFKBUFTUXCHJQQ-UHFFFAOYSA-N 404.392 3.740 0 50 HHAA CC(C)CN1C[C@H](OCc2ccccc2)CN(Cc2cccc3nccnc23)CC1=O 14745231 DGTYNKJIHHYFGW-JOCHJYFZSA-N 418.541 3.515 0 50 HHAA O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(C(=O)CSc1ccncc1)CC2 14998228 AKUGDMXBSVDIRE-HXUWFJFHSA-N 413.587 3.809 0 50 HHAA O=S(=O)(c1cc(Cl)c(Br)cc1Cl)n1nnc2ccccc21 1775994160 WNRINMUBTVUTIX-UHFFFAOYSA-N 407.076 3.738 0 50 HHAA Cc1ccncc1C(=O)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1 2100543372 QXVJFIMLEMYDLM-XMMPIXPASA-N 401.510 3.968 0 50 HHAA COCCNC(=O)c1nn2c(C(F)(F)F)c3c(nc2c1Cl)-c1ccccc1CC3 2474665 QPEHKAQNWBRFQR-UHFFFAOYSA-N 424.810 3.543 0 50 HHAA COC(=O)c1cc(I)ccc1OC(=O)/C=C/c1ccccc1 2570935 NJCFECUOBXOPHR-JXMROGBWSA-N 408.191 3.697 0 50 HHAA O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)NCCSCc1ccccc1 2971800 GTAXXQNOGWRKIL-UHFFFAOYSA-N 413.568 3.889 0 50 HHAA CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2nonc2C)cc1 11761015 ZZCUACGQIWHHJB-XMMPIXPASA-N 416.481 3.975 0 50 HHAA CCc1c(C(=O)N(C)Cc2cccs2)c(=O)cc(C)n1C[C@@H]1CCCN1CC 12212313 AAHSFIHJQPQPJV-KRWDZBQOSA-N 401.576 3.537 0 50 HHAA COc1ccc(CC2=NO[C@H](C(=O)NCc3csc(-c4cccs4)n3)C2)cc1 12279285 HNGYKFVRBLAZSI-KRWDZBQOSA-N 413.524 3.884 0 50 HHAA O=C(NC[C@H]1CCCN(C2CCN(c3ccc(F)cc3)CC2)C1)c1cccs1 12319021 DUYSNMGJQSVZOP-QGZVFWFLSA-N 401.551 3.998 0 50 HHAA CCOC(=O)[C@H](C)C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O 33974957 PYNXFZCZUAOOQC-DYESRHJHSA-N 411.498 3.835 0 50 HHAA in-vitro Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(c2cnccn2)CC1 55244200 NSPWDSOGKZDLFE-UHFFFAOYSA-N 403.408 3.781 0 50 HHAA O=C1CN(C(=O)CCO)[C@@H](Cc2ccccc2)CN1c1ccccc1-c1ccccc1 77406510 XMAKAXUZANENQD-QFIPXVFZSA-N 414.505 3.523 0 50 HHAA O=C(NCCC1=CCCCC1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82139246 AIEYWUUNZPCUFT-QHCPKHFHSA-N 410.606 3.765 0 50 HHAA CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C(=O)O)[C@H](C)CC)ccc12 252463705 TWXJEQAZBVNJCP-ARGWCVDVSA-N 403.475 3.518 0 50 HHAA C[C@H](CCN(C)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@@]12C 253609932 HBDQZJAFAVGPSS-AJTRQSMSSA-N 407.639 3.536 0 50 HHAA CCc1cnc(C)nc1N1CC[C@@]2(CCCN(Cc3cccc(OC)c3OC)C2)C1 426435475 ZBODEBHSYDVENZ-XMMPIXPASA-N 410.562 3.857 0 50 HHAA Cc1nc2ccc(C(=O)Nc3ccc(NC(=O)CN4CCCCC4)cc3)cc2nc1C 828052159 GAXLFXGARVBIMF-UHFFFAOYSA-N 417.513 3.923 0 50 HHAA Cc1ccc2c(C)c(C(=O)N3CC[C@@]45O[C@H](c6ccccc6)CN4C(=O)C[C@@H]35)oc2c1 1857733313 DVJGIVRSCSBEOJ-BKSPAHHJSA-N 416.477 3.964 0 50 HHAA Cc1ccc(F)c2[nH]c(C(=O)O[C@H](C(N)=O)c3cccc(Br)c3)cc12 2325870849 RVFRQCTWRWUBPZ-INIZCTEOSA-N 405.223 3.761 0 50 HHAA CC/C=C/C=C/C(=O)N1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2C[C@H]2F)C1 2325871995 DACVDEAXCBFYAZ-KHXKSIMZSA-N 414.521 3.766 0 50 HHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)N1CCCCCC1 1144730 PEZJFHANSDGDMJ-UHFFFAOYSA-N 416.499 3.510 0 50 HHAA CC(C)S(=O)(=O)c1ncc(CN(C)Cc2ccccc2)n1CCc1ccccc1 55120383 VWPYCKXHONGLPY-UHFFFAOYSA-N 411.571 3.940 0 50 HHAA COc1ccccc1CNCc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 23620151 LGOUGMRVHMMLQE-XMMPIXPASA-N 420.553 3.857 0 50 HHAA FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(Cc4nccs4)C3)CC2)c1 67909760 GHWXLXAEEMHUKF-GOSISDBHSA-N 410.509 3.949 0 50 HHAA CCOC(=O)c1c(NC(=O)c2c(Br)cnn2C)sc2c1CCCC2 2756449 OGNOZRZOSYWUES-UHFFFAOYSA-N 412.309 3.552 0 50 HHAA COC(=O)c1ccc(N2CCC(C)CC2)c(NC(=O)c2c(OC)cccc2OC)c1 6659420 DYPOORZGGIFHGZ-UHFFFAOYSA-N 412.486 3.979 0 50 HHAA O=S(=O)(c1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CCC[C@H]23)[C@H]1S(=O)(=O)c1ccccc1 257357290 NCEPVJVJJQQOIF-AHJNKEMKSA-N 414.548 3.658 0 50 HHAA O=S(=O)(c1cc(Cl)c(Cl)s1)N1CCC[C@@H](OCc2ccccn2)C1 952982820 YTABNFBUJGRWGK-GFCCVEGCSA-N 407.344 3.820 0 50 HHAA Cc1nc(O)nc(O)c1CC(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1446982813 AEZRVXBNNHQWOA-ZBFHGGJFSA-N 409.408 3.552 0 50 HHAA Cc1nc(NC(=O)[C@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)sc1C 170647884 RKMUYTOSFNYAHM-FZMZJTMJSA-N 418.500 3.775 0 50 HHAA COc1ccc(NC(=O)c2ccccc2NC(=O)COc2cccc(OC)c2)cc1 1145048 KNXMNEACXYONIS-UHFFFAOYSA-N 406.438 3.974 0 50 HHAA COc1ccc(N([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 817172 XQNJLTQXMRQAMH-GFCCVEGCSA-N 416.421 3.507 0 50 HHAA CN(Cc1ccsc1)Cc1nnc(SCc2ccccn2)n1C[C@@H]1CCCO1 11912727 DBLUVPNFQOOVNM-SFHVURJKSA-N 415.588 3.838 0 50 HHAA COc1cc(CNCc2ccc(C)o2)ccc1OC[C@H](O)CN(C)C1CCCCC1 11950599 USENGLFJZIJEIU-OAQYLSRUSA-N 416.562 3.891 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)C2=C(C)OCCO2)C1 11996761 ROZIPCTZIPKOPW-OAHLLOKOSA-N 422.909 3.584 0 50 HHAA COc1ccccc1CCc1nnc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)o1 12094467 UEQJGTAUMWROTL-UHFFFAOYSA-N 409.530 3.881 0 50 HHAA Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)N(C)C2CCOCC2)c1 12306205 FUCFIMXVQLJPGT-UHFFFAOYSA-N 423.557 3.684 0 50 HHAA COc1ccccc1-n1cc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cn1 12432333 NLHBUPBEXFHSBY-LJQANCHMSA-N 400.486 3.629 0 50 HHAA O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 12439683 UOXYOCBWAXEOMS-QGZVFWFLSA-N 411.408 3.616 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)NC2CCCCC2)C1 13636592 KZIXPHGFZMPLTP-LJQANCHMSA-N 400.567 3.617 0 50 HHAA COc1cc(/C=C2\SC(=N)NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 16196062 VLUZLCHLMIAEFH-LSCVHKIXSA-N 412.511 3.956 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(C)c3)n2)ccc1C 16625242 RVDSBMRNNQVHNG-INIZCTEOSA-N 404.470 3.685 0 50 HHAA Cn1ncc2c(Nc3ccc(F)cc3)nc(N3CCN(Cc4ccccc4)CC3)nc21 17148924 MHININBZRWUWLX-UHFFFAOYSA-N 417.492 3.568 0 50 HHAA Cc1nc(SCC(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc(-c2ccccc2)n1 16647651 AWYXWGSCFQAJJU-UHFFFAOYSA-N 405.479 3.782 0 50 HHAA CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 707856 SIXZNEMNHUPNMH-QQNJPBSNSA-N 411.432 3.966 0 50 HHAA NC(=O)c1c(NC(=O)COCc2cc(-c3cccs3)on2)sc2c1CCCC2 6876539 NRPUXFKWYPJDFT-UHFFFAOYSA-N 417.512 3.598 0 50 HHAA Cc1nn(-c2ccccc2)c2sc(C(=O)OCN3C(=O)c4ccccc4C3=O)cc12 1138935 GBHGJJRHINQPIV-UHFFFAOYSA-N 417.446 3.806 0 50 HHAA COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1Br 636787 FGFZQUIJHWSMKN-UHFFFAOYSA-N 406.685 3.921 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)no1 1112112 HMDNFPXVKUMLSW-UHFFFAOYSA-N 405.863 3.618 0 50 HHAA O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 1203980 XKCRKYRQRWSEHX-ABWJNHRWSA-N 410.385 3.840 0 50 HHAA CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1Br 2502859 RCHQZRPDPHCHJW-HNNXBMFYSA-N 409.305 3.662 0 50 HHAA Cc1ccc2[nH]c(=O)cc(C(=O)OCC(=O)c3ccc(Br)cc3)c2c1 3855409 YKQSTZJMJIUSCA-UHFFFAOYSA-N 400.228 3.639 0 50 HHAA CCN(C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)c1ccccc1F 6802323 KYTGNLVYJIOIGZ-UHFFFAOYSA-N 416.456 3.575 0 50 HHAA C[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)Nc1nccs1 9147004 BQLPTLXRNCYFQK-CYBMUJFWSA-N 408.512 3.905 0 50 HHAA COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)C2 11616528 ZWRRJEICIPUPHZ-DAOPMYJZSA-N 416.470 3.602 0 50 HHAA biogenic COCCNC(=O)c1cccc(OC2CCN(C/C=C/c3ccc(F)cc3)CC2)c1 11818641 HKRMKVGHVNMDAU-ONEGZZNKSA-N 412.505 3.759 0 50 HHAA OC[C@H]1CCCCN1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 12028394 KZMPPEGHWBFNSS-OAQYLSRUSA-N 405.498 3.674 0 50 HHAA COc1ccc(C2(C(=O)N3CCC(n4nccc4NC(C)=O)CC3)CCCC2)cc1 12028869 GSOGLZPOMAKMTF-UHFFFAOYSA-N 410.518 3.526 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)NC[C@@H]1Cc2cccc(-c3ccccn3)c2O1 12079951 SBDWHWGLUHGKFW-SFHVURJKSA-N 402.450 3.530 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@H](C(=O)N(CC4CC4)C[C@@H]4CCCO4)C3)nc2c1 12202450 SLPUODFLPUMGEM-SFTDATJTSA-N 422.573 3.881 0 50 HHAA CCCCc1nc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)c[nH]1 12433591 YORKPGLYFOPNHN-UHFFFAOYSA-N 406.534 3.789 0 50 HHAA COc1cccc(C[C@]2(CO)CCCN(C(=O)c3ccc4c(c3)CCCN4C)C2)c1 12434710 WANYILLXBHQAFE-RUZDIDTESA-N 408.542 3.535 0 50 HHAA COc1cc(CC(=O)N[C@H](C)c2cnn(-c3ccccc3C)c2C)cc(OC)c1OC 12475448 KCQQATFDUABDCR-MRXNPFEDSA-N 423.513 3.935 0 50 HHAA CN1CCN(C(=O)c2cc(COc3c(F)cccc3F)on2)C[C@H]1c1ccccc1 20206843 QMGOQBMPMWYBNH-FQEVSTJZSA-N 413.424 3.661 0 50 HHAA CSc1nc2ncc3c(=O)n(-c4ccc(Cl)c(C(F)(F)F)c4)ccc3n2n1 30875343 KQQDFKKKJVDOON-UHFFFAOYSA-N 411.796 3.823 0 50 HHAA Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528703 QPTNYPKMSWZICW-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA CCN(C[C@@H]1CCCO1)C(=O)CN1Cc2ccccc2O[C@H](c2ccccc2OC)C1 39353917 ULUAOAVCPODDNL-RDPSFJRHSA-N 424.541 3.658 0 50 HHAA Cc1cccc(OCCN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c1C 92066473 JJOOBVVFWBPXPT-NRFANRHFSA-N 400.563 3.566 0 50 HHAA CC(C)(C)OC(=O)N1[C@@H](CN)CCC12CCN(C(=O)OCc1ccccc1)CC2 110915106 VOTWBPGJTROQJB-GOSISDBHSA-N 403.523 3.516 0 50 HHAA CC(=O)Nc1cccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)no2)c1 169769304 IIROTTVWIHKPOF-IBGZPJMESA-N 416.441 3.533 0 50 HHAA CC(C)C[C@](C)(NC(=O)Cc1nc2ncccn2n1)c1cccc(Br)c1 225437614 GOQONJZVNRGHPP-IBGZPJMESA-N 416.323 3.507 0 50 HHAA O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)c1 239402790 RDHJLIIGGAPIEE-UBDCPRGSSA-N 410.857 3.728 0 50 HHAA Cc1ccc(-c2nn3ccn(Cc4cccc(Br)c4)c(=O)c3c2CO)cc1 263615402 CFJKTQKGKOKQSY-UHFFFAOYSA-N 424.298 3.775 0 50 HHAA CCn1c(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)O)cc2ccccc21 431991445 LCCYYNWRIUZKAR-IBGZPJMESA-N 422.481 3.893 0 50 HHAA CC(C)c1oc([C@@H]2CCCN2C(=O)CCCS(C)(=O)=O)nc1-c1ccccc1 464081325 JPKSUVZCODQYEG-KRWDZBQOSA-N 404.532 3.953 0 50 HHAA COc1ncc(NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1C(N)=O 474584381 WUUBOIIVUTZJGS-KRWDZBQOSA-N 402.882 3.992 0 50 HHAA Cc1nncn1-c1cccc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1 478408457 XKDHWVYYROOALN-UHFFFAOYSA-N 402.433 3.642 0 50 HHAA Cc1ccc([C@@H](NC(=O)C2(N3CCOCC3)CCCCC2)c2cccnc2)cc1C 825145671 WZSIYGTWIZFKEW-HSZRJFAPSA-N 407.558 3.939 0 50 HHAA Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 827989719 ZSLJWLZMBDQEGJ-NFJMJWFLSA-N 404.938 3.813 0 50 HHAA CNC(=O)c1ccc(CN2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)o1 1704303083 WOVSBDTWLLHLTI-DEOSSOPVSA-N 402.498 3.576 0 50 HHAA O=C(c1ccc(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)nc1)N1CCCC1 1704342176 KBWBHCMTXUBMFR-KNQAVFIVSA-N 402.498 3.535 0 50 HHAA COc1cc(C(=O)O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 1772491407 MWVILMCIJRABNN-UHFFFAOYSA-N 421.652 3.577 0 50 HHAA Cc1cnc2c(C(=O)N3CCC[C@]4(CCc5cnc(-c6ccccc6)nc54)C3)cnn2c1 2356155719 KTVDGUVETKHSNB-VWLOTQADSA-N 424.508 3.615 0 50 HHAA O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NC[C@H]1CCCO1 646604 MNSPVCQQSQQYTL-CYBMUJFWSA-N 415.412 3.689 0 50 HHAA COc1ccc(N2C(=O)C[C@H](Sc3nc4ccccc4s3)C2=O)cc1OC 795142 WLEHNOLNSQBLCC-INIZCTEOSA-N 400.481 3.738 0 50 HHAA Cc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 1119477 LHHGEZNNPSZEIC-UHFFFAOYSA-N 406.935 3.775 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 1144557 GZKVQASXRNYXKJ-UHFFFAOYSA-N 416.543 3.648 0 50 HHAA C[C@@H](C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 1150642 ZPAIWWPSUVOWMW-INIZCTEOSA-N 413.429 3.764 0 50 HHAA COc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C(C)=O)cc1OC 2743552 IFTFMBVNZWXDBF-UHFFFAOYSA-N 411.380 3.638 0 50 HHAA CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccccc1 4905691 LJQMJYGHPCKMEQ-NRFANRHFSA-N 422.481 3.887 0 50 HHAA CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(F)(F)F)cc1 4987062 MTJNSAHLVKZGBM-HNNXBMFYSA-N 412.437 3.882 0 50 HHAA CCOc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c2c(c1=O)CCCC2 9591989 KIOGGSJXMASSCB-UHFFFAOYSA-N 403.482 3.827 0 50 HHAA Cc1cccc(C[C@@H](C)NC(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)n1 11937286 YWLFKJBWZKGIHX-QGZVFWFLSA-N 417.513 3.720 0 50 HHAA Cc1ccc2[nH]c(C(=O)NC[C@H]3CCC4(CCN(C(=O)CC(C)C)CC4)O3)cc2c1 11973503 AAXAAEBLWDPBFB-LJQANCHMSA-N 411.546 3.792 0 50 HHAA CC(C)c1c(C(=O)NCc2ccccn2)cnn1-c1nccc(-c2cccs2)n1 12041211 VAFKUJIKWUJJNL-UHFFFAOYSA-N 404.499 3.839 0 50 HHAA O=C1CCN(C(=O)c2ccc(-c3ccccc3F)cc2)CCN1CCN1CCCCC1 12279742 ZHIUJSBWMCEQST-UHFFFAOYSA-N 423.532 3.653 0 50 HHAA Cc1ccc(C)c(OCc2cc(C(=O)N3CCC(N4CCSCC4)CC3)no2)c1 12301480 VXCLMRIYXHHNPC-UHFFFAOYSA-N 415.559 3.524 0 50 HHAA CCc1ccc(CN(C)Cc2ccc(OC[C@@H](O)CN(CC)CC)c(OC)c2)cc1 12571310 FOCDSYQEIKKVDU-QHCPKHFHSA-N 414.590 3.971 0 50 HHAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccsc1)CC2 14754461 DVNSKGWXYVQFBJ-UHFFFAOYSA-N 409.555 3.534 0 50 HHAA Cc1nc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)cs1 14879508 OCMDBIPWJRLCMI-GOSISDBHSA-N 403.523 3.534 0 50 HHAA Cc1cc2c(=O)n(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)c(S)nc2s1 17093734 AJUJMOHFQKFBPL-LLVKDONJSA-N 423.947 3.863 0 50 HHAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3[C@@H](C)CCC[C@H]3C)c2n1 18126042 BNCMSVCLGLHPSX-TXEJJXNPSA-N 420.439 3.860 0 50 HHAA COc1ccc([C@@H](C)NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)cc1 20602102 GKVQUTFTFWYENI-XIKOKIGWSA-N 403.276 3.828 0 50 HHAA CN(C(=O)CCN1Cc2ccccc2C1=O)[C@@H]1CCCN(CCCc2ccccc2)C1 23505553 XOBGPSQLSVWLLV-HSZRJFAPSA-N 419.569 3.588 0 50 HHAA CCS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)CC1 71754839 XPYANNSVRJZSCV-QFIPXVFZSA-N 414.571 3.571 0 50 HHAA O=C(N[C@@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1cccc(Br)c1 169754267 CJBVUFOQLCMDCO-CQSZACIVSA-N 417.332 3.909 0 50 HHAA O=S(=O)(NC[C@H]1CCCN1c1ccccc1)c1ccc(OC(F)(F)F)cc1 211121949 LEWMFHSWHSWUPW-OAHLLOKOSA-N 400.422 3.533 0 50 HHAA C[C@@H]1CN(c2ccc(NC(=O)NC[C@H](c3cccs3)N(C)C)cc2F)C[C@@H](C)O1 229762448 PRPMLKFYHNBGTJ-SPYBWZPUSA-N 420.554 3.925 0 50 HHAA Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(N4C[C@H](C)O[C@H](C)C4)ccn3)[C@H](C)CO2)c1 242273830 YGCYAZVOHWKQFF-FDGPYGQJSA-N 423.557 3.914 0 50 HHAA Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)/C(F)=C/c2ccccc2)CC3)n1 299767677 JHSQZKJDFLYRPG-RUAJRXAUSA-N 407.489 3.646 0 50 HHAA O=C(O)[C@@H]1CN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)C[C@H]1c1ccccc1 427702960 WDPUJIZNBFXBBP-FCHUYYIVSA-N 414.461 3.624 0 50 HHAA C[C@H](CC(=O)N1CCOc2c(Br)cccc21)NC(=O)C1CCCCC1 441513210 ILRNSYIOOIVBKB-CYBMUJFWSA-N 409.324 3.650 0 50 HHAA CCNC(=O)c1ccc(C)c(NC(=O)CCSc2ccc3c(c2)OCCO3)c1 606175799 DDAAXNWXVSPZLO-UHFFFAOYSA-N 400.500 3.637 0 50 HHAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NCCN1CCC[C@H](CO)C1 828711140 JJPQPCCHVGZPKO-FQEVSTJZSA-N 422.525 3.754 0 50 HHAA CC(=O)N1CC2=Nc3cccc4c3c(cn4CC(C)C)[C@H](c3cnn(C)c3)C2=C1O 888090370 VIFAZSCRIIOWSJ-FQEVSTJZSA-N 403.486 3.881 0 50 HHAA Clc1cccnc1N1CCN(Cc2cccc(OCCCn3ccnc3)c2)CC1 952987026 IOKHCQVKYBOCRQ-UHFFFAOYSA-N 411.937 3.723 0 50 HHAA O=C1C[C@H]2N(Cc3ccc(OC(F)F)cc3)CC[C@]23O[C@@H](c2ccccc2)CN13 1857721224 GAPZOKFGFZUGPS-KNKQGSTJSA-N 400.425 3.562 0 50 HHAA CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 1875256037 ZSIJBNUXHSZCRV-NHCUHLMSSA-N 405.502 3.679 0 50 HHAA c1ccc(CN=c2nc(Sc3ccccn3)[nH]c(Sc3ccccn3)n2)cc1 1875390612 YFIMXWBLXWIKQS-UHFFFAOYSA-N 404.524 3.998 0 50 HHAA CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 585151 QMGUOJYZJKLOLH-UHFFFAOYSA-N 412.493 3.642 0 50 HHAA aggregator,in-vivo COc1cc(Cl)ccc1C(=O)N1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 625574 LOXZBVZUNAWUMQ-UHFFFAOYSA-N 423.296 3.609 0 50 HHAA COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C)cc1Br 1110876 QQWFEMXCTOEXQS-UHFFFAOYSA-N 409.305 3.902 0 50 HHAA Cc1cc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1Br 1149733 JUCDBPFGJFEURV-CYBMUJFWSA-N 411.321 3.551 0 50 HHAA O=C(c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 1211886 BJAQNQNGNVCADF-MRXNPFEDSA-N 413.193 3.950 0 50 HHAA COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)OC(C)C)Cc3c([nH]c4ccccc34)[C@@H]21 1322233 STJVGZLEYYPBJO-LAUBAEHRSA-N 420.465 3.607 0 50 HHAA biogenic CN(CCO)C(=O)c1cccc(-c2ccc3[nH]c(O)c(-c4cccs4)c(=O)c3c2)c1 2356136745 HSCYQNGHNLBULF-UHFFFAOYSA-N 420.490 3.694 0 50 HHAA CN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 2835347 JJJCYNVFQREOAA-UHFFFAOYSA-N 409.241 3.531 0 50 HHAA COc1ccc(NC(=O)/C=C/c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 105242788 IKDINODEEUYCNC-FDNUPKBQSA-N 414.461 3.659 0 50 HHAA O=C(OCc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC1CCN(CC(F)(F)F)CC1 252535883 HBUNVANYESJEDY-ZULIPRJHSA-N 410.480 3.761 0 50 HHAA COc1ccc(OC)c2nc(N3CCOCC3)c(CNCc3ccc(F)cc3)cc12 12050573 RZPUHLSLPNUVSO-UHFFFAOYSA-N 411.477 3.518 0 50 HHAA O=C1CSC(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)=N1 1446258 JWQOKKNGBANATI-UHFFFAOYSA-N 420.519 3.648 0 50 HHAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 4580653 QZNZOBOKUWWCKM-UHFFFAOYSA-N 418.603 3.587 0 50 HHAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1 229710281 VVTBGZYDQKVBCL-QWFCFKBJSA-N 418.518 3.818 0 50 HHAA Cc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)cc1 239287447 CUTVFQBBMABSOB-QJUHAYJYSA-N 419.477 3.781 0 50 HHAA O=C([C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC[C@H](c2ccccc2)CC1 299773434 BABYOUMPRRCIOK-CVDCTZTESA-N 406.482 3.899 0 50 HHAA O=C(c1ccc(N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)nc1)N1CCCC1 1529181093 PVDCTLQWNBRFQR-SGIRGMQISA-N 405.542 3.974 0 50 HHAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 1529138861 JSGTWJMEXJGFLO-INIZCTEOSA-N 408.433 3.608 0 50 HHAA COc1ccc(/C=C/C(=O)NC[C@@H]2Cc3cccc(-c4cccnc4)c3O2)cc1OC 12152023 MFFWUUVVXJPLAF-BQYDLMEBSA-N 416.477 3.899 0 50 HHAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H]2CCCN(C)C2)CC1 12755368 MESXQNNJHQLMGC-HSZRJFAPSA-N 415.622 3.734 0 50 HHAA COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)n1C 13941843 APVUPGNFZOJUSG-LBPRGKRZSA-N 403.533 3.683 0 50 HHAA Cn1ccnc1SCCNC(=O)c1ccc2oc(CCc3ccccc3)nc2c1 15073488 UVWDZNUCZQWBMG-UHFFFAOYSA-N 406.511 3.869 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(C)c3C)n2)ccc1C 16652091 HDMBTCZWNGCIDJ-KRWDZBQOSA-N 418.497 3.994 0 50 HHAA COC(=O)C1(C(=O)OC)[C@@H](/C=C/c2ccc(OC)cc2)[C@@]1(C)C(=O)c1ccc(C)cc1 4653533 JXEXCTWSULYEKG-SEOBSKQHSA-N 422.477 3.868 0 50 HHAA Cc1sc2nc(-c3cccnc3)nc(NCC(F)(F)C3(O)CCOCC3)c2c1C 1875362930 ZGXRLWKEGHGNHD-UHFFFAOYSA-N 420.485 3.959 0 50 HHAA O=C(CSc1ccccn1)Nc1ccc(NC(=O)CSc2ccccn2)cc1 969113 LXEBHSJVRDNZBT-UHFFFAOYSA-N 410.524 3.938 0 50 HHAA O=C(/C=C/c1cccs1)Nc1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 2325702127 GDUYLMLTGMZMCZ-JBVUFVISSA-N 418.522 3.804 0 50 HHAA CN1CCN(Cc2ccc(NCc3ccnc4[nH]ccc34)cc2Br)CC1 2325740264 RIFKKEHUABCKBR-UHFFFAOYSA-N 414.351 3.685 0 50 HHAA COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1c[nH]nc1-c1ccn(C)n1 2325839803 FUFTVGZHSAUIJC-UHFFFAOYSA-N 413.441 3.614 0 50 HHAA C[C@H]1CC[C@H](C)N1Cc1nc(-c2ccc(NC(C)(C)C)cn2)nn1CCCN(C)C 2325872479 ZQGFTHZRIZDFNR-ROUUACIJSA-N 413.614 3.875 0 50 HHAA CC[C@@H](O)c1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)n(-c2cccc3nc[nH]c23)n1 2325872582 DYCCSCKLCLTJLE-GOSISDBHSA-N 416.485 3.508 0 50 HHAA O=C(NC[C@H]1CCCO1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 677445 IZUOAQUTMPTMSU-GFCCVEGCSA-N 424.810 3.977 0 50 HHAA COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1I 1057310 LIIGJMSVJBTFNQ-UHFFFAOYSA-N 417.268 3.717 0 50 HHAA C[C@@H](NC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)c1ccccc1 1113099 WOXABKPPZKOMIP-QGZVFWFLSA-N 413.477 3.857 0 50 HHAA CSc1nnc2c(n1)O[C@@H](c1ccccn1)Nc1ccc(Br)cc1-2 1168896 KTXYQBRWWBQFDY-AWEZNQCLSA-N 402.277 3.921 0 50 HHAA O=C(c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)COc2ncnc3ccccc23)C1 12027825 UGGQLSPCAJNEPA-INIZCTEOSA-N 409.873 3.784 0 50 HHAA CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)o2)sc(C)c1C 2868886 AFMHQXUVDMAVHG-UHFFFAOYSA-N 418.500 3.717 0 50 HHAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)c1ccc(-c2cncc(N)n2)cc1 2356152669 VAMAGYSLKVSPKZ-UHFFFAOYSA-N 402.433 3.527 0 50 HHAA Cc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)c(C)c1 4701618 IBURBRAKTFTLGO-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA CCN(CC)C(=O)c1sc(NC(=O)c2ccncc2)c(C(=O)OC(C)C)c1C 6046335 AVNKSBBHEAXMQF-UHFFFAOYSA-N 403.504 3.751 0 50 HHAA C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21 6669881 QHGQAVUFAQYWRH-QGZVFWFLSA-N 417.509 3.646 0 50 HHAA Cn1cc(CNCc2ccc(CN3CCCC3)cc2)c(-c2ccc3c(c2)OCCO3)n1 20453397 LIOIJVSREJUSHN-UHFFFAOYSA-N 418.541 3.744 0 50 HHAA COc1ccccc1CCN1C(=O)CC[C@@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]21 12099887 NMHOYZXBDINFRE-CTNGQTDRSA-N 410.489 3.530 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 17082908 OLISTOKEPCXXGI-UONOGXRCSA-N 404.532 3.739 0 50 HHAA O=C(CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)Nc1nccs1 334162177 ORVHGSAVASKRJW-UHFFFAOYSA-N 402.451 3.548 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2C=Cc3cc(C)ccc3N12 248379216 MCVQPHGFLFSMLD-CIAFKFPVSA-N 420.896 3.936 0 50 HHAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCC4(C=Cc5ccccc54)CC3)cn12 1940197675 HQIQAOKJTDSRFR-OAQYLSRUSA-N 402.498 3.620 0 50 HHAA Cc1cccc([C@H]2NC(=O)N(CC(=O)N[C@@H](c3cccs3)C(C)(C)C)C2=O)c1C 170613139 KPKZYJAJIRIPOP-MOPGFXCFSA-N 413.543 3.861 0 50 HHAA Cc1oc(-c2ccccc2F)nc1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 755623991 ZTUSHCWPULQADS-INIZCTEOSA-N 415.371 3.603 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccc[n+]([O-])c2)C1 11753928 RSUYJWRZMZUAIB-IBGZPJMESA-N 402.450 3.847 0 50 HHAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2ccc3c(c2)OCO3)c1 12072914 JLFFMDGSKGKSCK-HXUWFJFHSA-N 403.482 3.954 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2ccccc2Br)cc1 12138221 ISFLPQOWAALFHY-HNNXBMFYSA-N 403.276 3.610 0 50 HHAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)[C@H]3CC34CCC4)CC2)c1 12320622 ZIJJWKWOZSPVDY-JOCHJYFZSA-N 419.525 3.572 0 50 HHAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)NCCc2ccccc2)C1 12578207 NMWAGPXBHSEBKE-JOCHJYFZSA-N 409.574 3.834 0 50 HHAA COC(=O)c1cc(CNC(=O)[C@@H]2CCOC(C)(C)C2)cc(NC(=O)c2ccccc2)c1 14960003 PJNONYAZOIWJEL-GOSISDBHSA-N 424.497 3.547 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(Cl)c(C(F)(F)F)c1 16225487 DVKAZTCCHSVRSI-UHFFFAOYSA-N 424.803 3.903 0 50 HHAA COc1ccc([C@@H](C)NC(=O)c2nnn(Cc3ccccc3)c2-n2cccc2)cc1 206641730 ACSPNCBJNYSYFR-QGZVFWFLSA-N 401.470 3.617 0 50 HHAA COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Br)c(F)c1 328593901 XMTFUDQTVJIRTF-UHFFFAOYSA-N 422.659 3.829 0 50 HHAA CS(=O)(=O)NC1(CNC(=O)c2ccc(-c3ccccc3F)s2)CCCCC1 1875256525 QMAPXMXWPFEKFJ-UHFFFAOYSA-N 410.536 3.536 0 50 HHAA CC(=O)Nc1nnc(SCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)s1 1875256062 TXWSTHKEDTYJOG-UHFFFAOYSA-N 419.557 3.583 0 50 HHAA Cc1c[nH]c2ncc(C(=O)N3CCC[C@@H](CNC(=O)Nc4cccc(F)c4)C3)cc12 2325879100 HXPODKFIQAJUMM-HNNXBMFYSA-N 409.465 3.684 0 50 HHAA Cc1ccc(-n2c(=O)c3ccccc3n3c(SCc4nc(C)no4)nnc23)c(C)c1 247902813 ZSRVZENIFVMRKE-UHFFFAOYSA-N 418.482 3.634 0 50 HHAA CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 818830 USHAEVIPDXMEFU-UHFFFAOYSA-N 405.501 3.671 0 50 HHAA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 4673408 GOZGIDCOOCPNFX-CXUHLZMHSA-N 415.423 3.553 0 50 HHAA O=C1CC2(CCN(C(=O)c3csc(-c4ccc(Cl)cc4Cl)n3)CC2)CN1 465366162 RPDBEPCOWZBYJN-UHFFFAOYSA-N 410.326 3.859 0 50 HHAA COc1ccc(CN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c2ccccn2)cc1 170622312 CDRWKTLVPUTNMI-NRFANRHFSA-N 415.493 3.672 0 50 HHAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67867853 XLPVHYOWKLMQHX-ZDUSSCGKSA-N 400.841 3.577 0 50 HHAA CCc1cc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc(O)n1 328606577 SBTHASHWQIQTLH-UZUQRXQVSA-N 404.470 3.594 0 50 HHAA CCCc1nc2cccnc2n1C1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 12151380 PQWOHZRSYMQBAG-UHFFFAOYSA-N 420.513 3.909 0 50 HHAA CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@@H](c2ccccc2)C1 488861853 SLZLKHGCKLKROM-MRXNPFEDSA-N 402.413 3.522 0 50 HHAA O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(Nc2cccc(Cl)c2)nc1 252485558 GYUIJCWPFDYBAS-UHFFFAOYSA-N 402.863 3.989 0 50 HHAA CCOc1ccc(-c2nc3s/c(=C\c4c(F)cccc4Cl)c(=O)n3n2)cc1 633365 DBKJOASTBIWGIM-YBEGLDIGSA-N 401.850 3.557 0 50 HHAA COCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 3055366 CRUGKRQSWMIYTR-PDGQHHTCSA-N 407.297 3.917 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN([C@@H](C)CCSC)CC2)c(Cl)c1 11663134 QVAXJNHILKXKMW-HNNXBMFYSA-N 414.999 3.701 0 50 HHAA Cc1cc(C)nc(-c2cccc3c2O[C@H](CNC(=O)c2cc4ccccc4n2C)C3)n1 12048969 FXFKEIMXCXZVTH-IBGZPJMESA-N 412.493 3.986 0 50 HHAA CN(Cc1cccnc1)c1ccc(C(=O)N2CCCN(C3CCCCC3)CC2)cn1 12304231 NMALITILEKSLJF-UHFFFAOYSA-N 407.562 3.594 0 50 HHAA c1ccc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)nc1 12308507 NJPIXUSARONFBC-SANMLTNESA-N 405.586 3.942 0 50 HHAA Clc1cccc(N2CCN([C@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)c1 19789880 YQTGHPBCPGRIDD-NRFANRHFSA-N 413.949 3.855 0 50 HHAA O=C(CCc1cn[nH]c1)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857688916 JMBDLDVLWMFZRI-QHCPKHFHSA-N 424.589 3.831 0 50 HHAA Cc1cc(C)cc(CCC(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1 1857730251 OCBRNMNFOLAJKF-RQTOMXEWSA-N 404.510 3.537 0 50 HHAA O=C(NS(=O)(=O)[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1Cc2ccc(F)cc21 1875255123 KRDROPQDYMQVSM-YADHBBJMSA-N 409.482 3.895 0 50 HHAA Cc1cnn(CC2CC2)c1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 1319495777 NNIYQNCQRYTAJD-UHFFFAOYSA-N 400.280 3.802 0 50 HHAA CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Br 679578 FRGDCWYBTGNNGW-UHFFFAOYSA-N 418.335 3.852 0 50 HHAA CCOc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 821361 NUUWBRVEDAPBKB-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA Cc1ccc(N([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 1078386 MLVMYKPBJSOZAH-CYBMUJFWSA-N 400.422 3.807 0 50 HHAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)c1C 1088125 RCBKTSYZYLPKRP-MOPGFXCFSA-N 411.483 3.834 0 50 HHAA Cc1cccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1 1176325 WUFHKKPUCQQYHD-UHFFFAOYSA-N 404.422 3.963 0 50 HHAA COC(=O)c1sc(NC(=O)c2c(-c3ccccc3)noc2C)c(C(=O)OC)c1C 1200198 MZZOEQQSYUWWRU-UHFFFAOYSA-N 414.439 3.845 0 50 HHAA CC1(C)CC(NC(=O)c2cnn3c(C(F)(F)F)cc(C4CC4)nc23)CC(C)(C)N1 2779285 GRCZOWBFOFASOX-UHFFFAOYSA-N 409.456 3.665 0 50 HHAA CC(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc(F)c1 4036027 ZZBZXHHYHMFVPM-IBGZPJMESA-N 403.479 3.531 0 50 HHAA O=C(O)c1ccccc1S[C@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1=O 4140208 STOWRYGXJGGBRU-IBGZPJMESA-N 410.495 3.799 0 50 HHAA C[C@H](CCN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1)c1ccccc1 12004844 RYHXGNWUROLSLQ-HXUWFJFHSA-N 423.605 3.569 0 50 HHAA COCCNC(=O)c1cccc(OC2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1 14954474 NFEKTCXEGDHREA-UHFFFAOYSA-N 412.574 3.731 0 50 HHAA O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=S)N1C[C@H]1CCCO1 239174261 PQGLZYHKUUKCPU-QGCDCVKKSA-N 417.534 3.790 0 50 HHAA CS(=O)(=O)Cc1cccc(NC(=S)NCc2cccc(C(F)(F)F)c2)c1 726486845 VBJWXPDESDKHAZ-UHFFFAOYSA-N 402.463 3.737 0 50 HHAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C)[C@@H](c3ccc4c(c3)OCO4)C2=C1O 888089646 UOKVYNKTDHEXFG-HXUWFJFHSA-N 401.422 3.757 0 50 HHAA CN(C)[C@H]1CC[C@@H](NC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)C1 952891851 CRPHDOTYRLWJCV-UXHICEINSA-N 411.525 3.654 0 50 HHAA O=C(N[C@H]1COc2c(F)cc(F)cc2C1)N[C@@]1(C(F)(F)F)CCc2ccccc21 1311273873 VALAZIHQFSJZAO-KUHUBIRLSA-N 412.358 3.972 0 50 HHAA CC(C)Oc1ccc([C@H](C(=O)O)N2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 1506404760 VHDJRJSKAZVAEZ-OAQYLSRUSA-N 404.457 3.696 0 50 HHAA O=C(N[C@H](C(=O)O)c1ccc(F)cc1)c1ccn(-c2ccc(Cl)cc2Cl)n1 1875333863 OCMKIQNZAYZGEQ-INIZCTEOSA-N 408.216 3.874 0 50 HHAA COc1cccc(Cn2nc(-c3cc[nH]n3)nc2[C@H]2COc3c(F)cc(F)cc3C2)c1 1875349426 WSTMRQUTSFPKHO-OAHLLOKOSA-N 423.423 3.722 0 50 HHAA Cc1nc(N2CCC3(CCc4c(O)nc(-c5ccccc5)nc43)CC2)c2[nH]ccc2n1 2100544798 JPPGIIRMGMIMFZ-UHFFFAOYSA-N 412.497 3.913 0 50 HHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3csc(Cc4ccccc4)n3)C1)CC2 2356155482 FIVDORSSVZDGKB-HSZRJFAPSA-N 404.539 3.953 0 50 HHAA CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc12 1169225 VPIBDUDUOPVHHP-UHFFFAOYSA-N 414.502 3.889 0 50 HHAA CN(C)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccc(Cl)cc2s1 4359192 INAQABBHOJWKHJ-UHFFFAOYSA-N 417.918 3.929 0 50 HHAA O=C(O)CCCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 6668298 UAIMVOOPXONAJG-QFIPXVFZSA-N 400.906 3.829 0 50 HHAA Cc1ccsc1CN(C)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 11819700 VIOVFWUWHWETLN-UHFFFAOYSA-N 417.600 3.921 0 50 HHAA CSCC(=O)N1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 11874572 GRRXXUZPHXNSHP-UHFFFAOYSA-N 402.482 3.703 0 50 HHAA O=C(NCCc1ccco1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11934849 UWMKVZIKSLJTTH-LJQANCHMSA-N 416.525 3.801 0 50 HHAA COc1ccc(/C=C/C(=O)N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)cc1OC 12304374 WYLXNGHFANJOBS-IUYMFKLXSA-N 424.497 3.591 0 50 HHAA Cc1ncsc1CCCNC(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12429945 QYXFJQVGTKFCIS-UHFFFAOYSA-N 423.542 3.783 0 50 HHAA Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)cn1 12441019 QXGXAGAHRGEYGK-LJQANCHMSA-N 421.526 3.850 0 50 HHAA Cc1cc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@H]2CCCO2)no1 12702336 RQHOMEPZCOTIAQ-HXUWFJFHSA-N 415.509 3.656 0 50 HHAA CC(C)(CO)CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12709415 QIPCTFRVOAEAII-UHFFFAOYSA-N 410.558 3.521 0 50 HHAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCCC1=CCCCC1)CC2 14748812 YCEKNNKLBWZVMX-NRFANRHFSA-N 406.574 3.971 0 50 HHAA COC(=O)c1ccc(CN2CCc3c(cccc3NC(=O)c3ccncc3)C2)cc1 14948039 AGMLYMHVDYNCRS-UHFFFAOYSA-N 401.466 3.679 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(F)cc3)n2)ccc1C 16626684 PMIFXVKZWYEZBQ-HNNXBMFYSA-N 422.460 3.906 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1OC 23339133 FEYNIVGNYVZMGU-QGZVFWFLSA-N 415.559 3.855 0 50 HHAA CC(C)n1cc(-c2cc(C(=O)N3CCCN(C)C[C@H]3C)c3cc(F)ccc3n2)cn1 63868710 QCGZCGJMNUWYJS-MRXNPFEDSA-N 409.509 3.985 0 50 HHAA CN(C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)C1CCCCCC1 82115027 VBBJMQLVDACWLL-QFIPXVFZSA-N 412.622 3.939 0 50 HHAA Cc1ccc([C@H]2Cn3nnc(-c4noc(-c5ccc(N(C)C)cc5)n4)c3CO2)cc1 169769430 KIJUQUIXRXCSNZ-LJQANCHMSA-N 402.458 3.641 0 50 HHAA CCN(CC)c1ccc(C(=O)NCc2nnc3ccc(-c4ccc(C)cc4)nn23)cc1 169778468 OANMWBCVPRJUSW-UHFFFAOYSA-N 414.513 3.876 0 50 HHAA O=C(OCc1ccc(Br)cc1F)[C@@H]1CCCN(C(=O)c2ccncc2)C1 170616588 HUFRVXJXAICTOV-CQSZACIVSA-N 421.266 3.579 0 50 HHAA COc1cc(OC)cc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(Cl)c(F)c3)C2)c1 170619432 IBZBQWJYBXRKNH-GOSISDBHSA-N 412.870 3.607 0 50 HHAA CN(c1ncnc2ccc(S(C)(=O)=O)cc12)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 253427304 PZPBEMPBKLRILC-UXHICEINSA-N 411.527 3.716 0 50 HHAA CCS(=O)(=O)c1ccc(NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 302729634 UVMRTYKXNGBYAH-HXUWFJFHSA-N 408.951 3.619 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)cc1 952965256 CHXPVKDRODMISM-IBGZPJMESA-N 402.516 3.527 0 50 HHAA O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)s1 1469079695 ZRKZCSZAJFTNND-UHFFFAOYSA-N 419.470 3.502 0 50 HHAA C[C@@](Nc1ccccc1)(C(=O)N1CCOc2ccc(CO)cc2C1)c1ccccc1 1506399572 OTLNCZAQYXBJJT-VWLOTQADSA-N 402.494 3.927 0 50 HHAA CCc1cc(CN(C)S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)oc2C)on1 1506399644 PDPUSSRENNJVDJ-UHFFFAOYSA-N 419.381 3.633 0 50 HHAA Cc1ccc(SC2CCN(CC(=O)Nc3nnc([C@H]4CCCO4)s3)CC2)cc1 1506429221 ROYOZMLBNBDXJQ-QGZVFWFLSA-N 418.588 3.893 0 50 HHAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)CCc1nc2ccc(F)cc2[nH]1 1529189946 BSUAPMAYNASREP-UHFFFAOYSA-N 407.449 3.991 0 50 HHAA CCc1cc(N2CCC(NC(=O)c3cccc(Nc4ccc(C)cn4)c3)CC2)ncn1 1875319575 IRZDESODSSTVKG-UHFFFAOYSA-N 416.529 3.885 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)C1 1875371492 CSDWKFAKVJUPBF-IEBWSBKVSA-N 419.363 3.797 0 50 HHAA CCC[C@@]1(C(=O)O)CN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1O 2356167120 SYGRWWKXZBXOIA-CZUORRHYSA-N 408.804 3.828 0 50 HHAA O=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Br)[C@@H]1CCCO1 1052423 KWGPQUUYQPVPDJ-ZDUSSCGKSA-N 402.651 3.604 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1OC 1077054 GVSFKEAOKXLDEN-UHFFFAOYSA-N 404.442 3.983 0 50 HHAA CCc1nn(C)c(Cl)c1CN1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356150290 VHELSTWLINAJLX-QHCPKHFHSA-N 414.981 3.836 0 50 HHAA CCC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 4690530 MTYVEHQHPICJQH-UHFFFAOYSA-N 413.478 3.701 0 50 HHAA COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3Br)n2)cc1 7720426 IEGDEGGZKUKFBM-UHFFFAOYSA-N 402.248 3.780 0 50 HHAA Clc1ccc(Cc2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)cc1 65363824 TWQKFBMUPUVCBS-UHFFFAOYSA-N 424.961 3.752 0 50 HHAA CN(Cc1cccnc1)C[C@H]1CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 252488785 IYXKAUUZZZYFJN-HXUWFJFHSA-N 404.599 3.871 0 50 HHAA Cc1c(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)cnn1-c1cc(F)ccc1Cl 230206503 BSRKOWKXVWEBEG-BEFAXECRSA-N 404.917 3.968 0 50 HHAA biogenic COc1cccc(C(=O)COc2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1 95483114 GTGBHQGKSNTZNE-IWMITWMQSA-N 407.466 3.883 0 50 HHAA O=C1CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CCN1CCN1CCCCC1 299756721 DXWVLCUZSIMVMG-UHFFFAOYSA-N 423.532 3.653 0 50 HHAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)Cc1ccc(OCC(=O)N2CCCC2)cc1 952984118 OGKLNWLZIKLVJJ-SFHVURJKSA-N 410.514 3.652 0 50 HHAA COC(=O)c1cccc(C(C)(C)C)c1NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 170596295 ANHSWUPURJZQJJ-CQSZACIVSA-N 410.470 3.523 0 50 HHAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@@H](C(=O)O)C2(CCOCC2)C1 1800410353 RCUYECHDKRHCSQ-INIZCTEOSA-N 403.862 3.862 0 50 HHAA Cc1c(CN2CCC3(CC2)C[C@H]3C(=O)NCc2ccccc2C(F)(F)F)cnn1C 11782746 WCPDWJYMPRBBQM-IBGZPJMESA-N 420.479 3.666 0 50 HHAA COc1ccc(C(=O)CCC(=O)N2CCC[C@](CO)(CCc3ccccc3)C2)cc1 12072985 UWUYSIPXRNRAMS-VWLOTQADSA-N 409.526 3.892 0 50 HHAA Cc1nc[nH]c1CN(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 12445220 GICZZOBADJSXHM-NRFANRHFSA-N 400.542 3.750 0 50 HHAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1nc(-c3ccccc3)cs1)C2 14732581 LLCYIJKHFKEVCQ-KRWDZBQOSA-N 423.586 3.766 0 50 HHAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC12CCN(C(=O)/C=C/c1cccs1)CC2 14884451 SCBFDNGWVUKRGD-UKINESCASA-N 410.495 3.757 0 50 HHAA CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@H](C)C1 14956569 BSVSVQFTYQSGHE-KRWDZBQOSA-N 410.514 3.829 0 50 HHAA COC(=O)CCCNC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 15064124 APUAZXIFIKWWBI-UHFFFAOYSA-N 411.405 3.765 0 50 HHAA CCCCOC(=O)NC(NC[C@@H](O)c1ccccc1)(C(F)(F)F)C(F)(F)F 19340388 XWKRSPNZZZYOBC-GFCCVEGCSA-N 402.335 3.657 0 50 HHAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19973434 CXMUAPSVBQJHEF-OAHLLOKOSA-N 418.946 3.894 0 50 HHAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCOc2ccc(Cl)cc2C1 1857671693 XSHRMILCPIURPA-UHFFFAOYSA-N 400.891 3.851 0 50 HHAA COc1ccc2oc(N3CCC[C@@H](Cc4nc(C)nn4-c4cccnc4)C3)nc2c1 1857680591 LLLQSCLLSKKWAL-INIZCTEOSA-N 404.474 3.580 0 50 HHAA O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 211029435 LLRRORGDBRVPJN-JTAQYXEDSA-N 420.553 3.799 0 50 HHAA Cc1nc([C@@H](C)NC2CCN(c3ccc(NC(=O)c4ccccc4F)cc3)CC2)n[nH]1 15072056 LVTWRFVOJKXNNK-OAHLLOKOSA-N 422.508 3.824 0 50 HHAA COc1ccc(F)cc1N1C[C@H]2CC[C@H]1CN2C(=O)c1ccc2c(c1)OC(F)(F)O2 1776004317 OUWKJDZTWXOWTD-LSDHHAIUSA-N 420.387 3.649 0 50 HHAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(I)cc1 1148659 UBCQZYLXNKTJRY-UHFFFAOYSA-N 409.252 3.898 0 50 HHAA C[C@@H](c1ccccc1)N1C[C@@H](c2nc(-c3ccc(Br)cn3)no2)CC1=O 2325762741 XSHKFZJFMQDUHE-JSGCOSHPSA-N 413.275 3.971 0 50 HHAA O=S(=O)(Cc1noc(C2CC2)n1)NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325820423 VMFOQJLWTLPTQR-UHFFFAOYSA-N 416.330 3.839 0 50 HHAA O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 920402 FRSZNZNJHSDBGI-INIZCTEOSA-N 411.889 3.819 0 50 HHAA COc1ccccc1CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 4809236 LHZLOXNFOOWNSZ-UHFFFAOYSA-N 410.495 3.734 0 50 HHAA COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(C)c(C)c2)c2cccnc2)cc1 9006508 HNLXWXVWTJDBGU-JOCHJYFZSA-N 424.522 3.652 0 50 HHAA COc1ccc(CN2CCC(=O)N(Cc3cccc(C)c3)CC2)c(Cl)c1OC 64074164 PAXRHYGHGFZOIG-UHFFFAOYSA-N 402.922 3.900 0 50 HHAA O=C1OCC2=C1[C@@H](c1cccc(Br)c1)CC(=O)N2c1cccc(F)c1 1429608 OZDIAYVSJKJXOB-OAHLLOKOSA-N 402.219 3.920 0 50 HHAA CC(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 229688167 ZDLNCDWZOBKCTH-XGMKGGNISA-N 411.927 3.842 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)[C@H](c2ccccc2)c2ncc[nH]2)c(Br)c1 432266081 XNVMGLDWWLCFTA-QGZVFWFLSA-N 420.332 3.891 0 50 HHAA CC(C)(C)n1cc(-c2noc(C3CCN(C(=O)CCOc4ccccc4)CC3)n2)cn1 445642549 DAQAOGLXHOKZTI-UHFFFAOYSA-N 423.517 3.863 0 50 HHAA Cc1ccc(C)c(N2N=C(C(=O)N(C[C@H](O)c3ccc(F)cc3)C3CC3)CCC2=O)c1 763000571 UXOZBUWRKJNWLH-QFIPXVFZSA-N 423.488 3.650 0 50 HHAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)c2ccc(C)cc2)C1 12054407 ODQBNNQLEDMAPQ-JOCHJYFZSA-N 423.601 3.920 0 50 HHAA Cc1csc(SCC(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)n1 12303133 QKBPZKIEFDGBED-CYBMUJFWSA-N 404.586 3.939 0 50 HHAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)CCc2c(C)nn(C)c2C)c1 12583153 FJQGHRFBRLEXRQ-QFIPXVFZSA-N 405.546 3.966 0 50 HHAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 12761852 ARJXEOGDCCPKPV-KRWDZBQOSA-N 418.490 3.552 0 50 HHAA COc1cccc(CN2C(=O)N(CCC(C)C)C3(CCN(C(C)C)CC3)C2=O)c1 14538152 QAMSEVPPZGUZDR-UHFFFAOYSA-N 401.551 3.749 0 50 HHAA C[C@H](Oc1ccccc1)C(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccccc2)n1 16672042 TVXXZVQFTTYDBI-CALCHBBNSA-N 405.454 3.894 0 50 HHAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C3CCN(c4ccccc4F)CC3)C1)CC2 1704315243 YKXOGJAASHOYKM-XMMPIXPASA-N 409.553 3.631 0 50 HHAA CN(C)S(=O)(=O)c1cccc(-c2nnc(-c3cccc(C(F)(F)F)c3F)o2)c1 1257642336 MOLIABATRXMJBE-UHFFFAOYSA-N 415.368 3.812 0 50 HHAA C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1cccc(NS(C)(=O)=O)c1 1875253161 DPFNLKWUSIRQAA-LBPRGKRZSA-N 418.906 3.593 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@@](O)(c3ccc(C(F)(F)F)cc3)C2)cc1 1875373418 AHICLHFZPYGKMZ-NRFANRHFSA-N 418.415 3.588 0 50 HHAA Cc1ncc(C(=O)NC2CCC(NC(=O)[C@H](C)CC3CCCCC3)CC2)cc1N 2325853552 UQDIEJWEAWMMTO-APMMTJHUSA-N 400.567 3.736 0 50 HHAA O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cncc(Br)c1 643308 DSFDODJZJBWXDQ-UHFFFAOYSA-N 402.292 3.651 0 50 HHAA CCOC(=O)c1c(NC(=S)NC(=O)COc2ccccc2)sc2c1CCCC2 977619 NNGGXRNOMUAYIQ-UHFFFAOYSA-N 418.540 3.696 0 50 HHAA CC(C)CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)cc2C1=O 1124561 BZUWRFFNMWSKCQ-UHFFFAOYSA-N 404.466 3.858 0 50 HHAA CSc1nnc2c(n1)O[C@H](c1ccccc1OC(C)=O)N(C(C)=O)c1ccccc1-2 1160172 FHTSUMLSLCUMEC-HXUWFJFHSA-N 422.466 3.630 0 50 HHAA COCCCN1C(=O)c2ccc(C(=O)Oc3ccc(Cl)cc3Cl)cc2C1=O 2342117 SBKCPNFKFMNEFV-UHFFFAOYSA-N 408.237 3.845 0 50 HHAA Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)c1 2871284 OQUQDIMUMLIKAF-UHFFFAOYSA-N 402.516 3.577 0 50 HHAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C2CSCCSC2)C1 55271577 RHDAHQGRKIMVQA-OAQYLSRUSA-N 409.617 3.732 0 50 HHAA C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@]4(CCCc5ccccc54)C3)ccc2N1C 439994350 JXFMRGDFYVHFHN-GKVSMKOHSA-N 403.526 3.974 0 50 HHAA COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1OC 77405954 CPMPUNQGRBLKME-KRWDZBQOSA-N 402.922 3.999 0 50 HHAA O=C(Cc1cccs1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccc(F)c2)C1 20866713 MKWKAPWJSUCGGG-XLIONFOSSA-N 400.519 3.512 0 50 HHAA O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)ccc1Cl 244691974 JMGAIYCFTKHSOS-VUEDXXQZSA-N 424.884 3.983 0 50 HHAA COc1ccc(NC(=O)C[C@@H](c2ccc(OC)cc2)c2c(O)cc(C)oc2=O)cc1 253471095 LMMWNKQMOHNDPX-IBGZPJMESA-N 409.438 3.832 0 50 HHAA O=C(CCn1c(O)nc2ccccc21)NC[C@@H](c1ccccc1)N1CCCCCC1 827822993 ANUGIFQNXUKMCW-QFIPXVFZSA-N 406.530 3.866 0 50 HHAA CCc1ccc(CN(C)C(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)cc1 11844107 YNGKZCGXTVASGX-UHFFFAOYSA-N 424.541 3.920 0 50 HHAA COc1ccc(CNCc2ccc(C)s2)cc1OC[C@@H](O)CN1CCCCC1 12203805 ZTJGEFFPYJNTPI-IBGZPJMESA-N 404.576 3.581 0 50 HHAA COc1ccc(OCc2cc(C(=O)N3CCN(C4CCCC4)CC3)no2)c(Cl)c1 14955749 DFQOKAZFQPCFMU-UHFFFAOYSA-N 419.909 3.616 0 50 HHAA CSCCN[C@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 14976210 FSMIRVVKDYXHFX-INIZCTEOSA-N 411.596 3.608 0 50 HHAA O[C@@H](CN1CCN(Cc2ccccc2)CC1)Cn1c2c(c3ccccc31)CCCC2 19757971 QRHHLEHVTPUDHI-QFIPXVFZSA-N 403.570 3.699 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4noc(-c5ccccc5Cl)n4)c3CO2)cc1 169769155 MPGGOVWEKIZPLP-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA Cc1ccc2cc(CN3CCC(C4CCNCC4)CC3)c(N3CCOCC3)nc2c1 1857681040 VUXOMPBYMFMIRX-UHFFFAOYSA-N 408.590 3.591 0 50 HHAA Cc1ccc(NC(=O)CC[C@@H]2CN(Cc3ccccc3)CC[C@@H]2N2CCOCC2)cc1 208899220 IMOXVMLTASIDCI-NOZRDPDXSA-N 421.585 3.937 0 50 HHAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc(C(F)(F)F)c3)C1)CC2 1704297128 IBOGCUHVEITFKB-HXUWFJFHSA-N 404.436 3.682 0 50 HHAA COc1cc2c(cc1OC)CCN(C(=O)Nc1ccnc(Cc3ccccc3)n1)CC2 1254482567 GNZPWEJERCCTCP-UHFFFAOYSA-N 418.497 3.717 0 50 HHAA O=C(/C=c1/nc(O)/c(=C\c2ccc(OCC(F)F)cc2)s1)c1ccc(Cl)cc1 1875260481 VPFOMIWLXATAQU-IHHRCPEVSA-N 421.852 3.638 0 50 HHAA O=C1C[C@H](N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(F)cc1 95483173 AWFJIZUVENTZOL-SFHVURJKSA-N 409.486 3.947 0 50 HHAA O=c1ccccn1CCCCNCc1cnn(Cc2ccccc2C(F)(F)F)c1 2325870294 RLTOAVWANZVJNB-UHFFFAOYSA-N 404.436 3.682 0 50 HHAA C[C@H](c1ccccc1)[C@H](NC(=O)C[C@@H]1CCc2cc(Br)ccc21)C(N)=O 2325876808 BRBSTRPADYXBAI-PSGMQZRDSA-N 415.331 3.643 0 50 HHAA C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)C[C@H](C)O1 752782 UEIKITSCDLGXKO-HOTGVXAUSA-N 422.460 3.513 0 50 HHAA Cc1ccccc1C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 1121989 ZASOCUAOOYCCHF-UHFFFAOYSA-N 401.513 3.642 0 50 HHAA CCOc1cc(Br)c(Br)c(/C=C2/SC(=O)NC2=O)c1O 1196234 HEYOLJXSPBPLRJ-FPYGCLRLSA-N 423.082 3.640 0 50 HHAA O=C(OC[C@@H]1CCCO1)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1 3995488 VWJCKJXYRBQCHE-BBWFWOEESA-N 408.292 3.692 0 50 HHAA O=C1CC[C@H](N2CCN(c3ccc(F)cc3)CC2)CCN1Cc1ccc(F)cc1F 11790594 OIJLGTLONXJEGA-NRFANRHFSA-N 417.475 3.807 0 50 HHAA Cc1ccc(CN2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)o1 11820985 VNBWIOZIMCZESS-UHFFFAOYSA-N 405.498 3.956 0 50 HHAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C3CCOCC3)cc2)c1 11874188 VRKJZWWVKYJVLO-QFIPXVFZSA-N 408.498 3.718 0 50 HHAA CCn1cc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@H]2CCCO2)cn1 11874191 AXQVFRGGNKBKRR-HSZRJFAPSA-N 414.569 3.935 0 50 HHAA O=C(NCc1cccc(OC(F)(F)F)c1)c1cn(Cc2ccccc2Cl)nn1 11879983 VODCBPUPOWCRTA-UHFFFAOYSA-N 410.783 3.808 0 50 HHAA Cc1c(NC(=O)C2=C(c3ccccc3)SCCO2)c(=O)n(-c2ccccc2)n1C 12390741 VARDFEQKUKZVEW-UHFFFAOYSA-N 407.495 3.555 0 50 HHAA COc1ccc(CCN(Cc2cnc(N(C)C)s2)CC2CCN(C)CC2)cc1 12594371 ZQKHPHNNJBPEDM-UHFFFAOYSA-N 402.608 3.604 0 50 HHAA Cc1cc(Cl)ccc1NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 18250931 FHLBPOUDEKSMHZ-UHFFFAOYSA-N 403.935 3.892 0 50 HHAA CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1ccccc1)C3 20110065 KUDKJKRGDLBESN-GOSISDBHSA-N 411.571 3.920 0 50 HHAA COc1cccc(CN2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)c1 104496928 CCECIBGDBLVZJV-OAQYLSRUSA-N 423.582 3.888 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4cccc(N(C)C)c4)C3)[nH]n2)cc1 169775347 HGXIKNQAWPNWGP-IBGZPJMESA-N 419.529 3.550 0 50 HHAA COc1ccc2nc(N3CCC(NCCc4ccccc4OC)CC3)nc(C)c2c1 299767015 AFYZZTVVLWKUGC-UHFFFAOYSA-N 406.530 3.757 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cn1 824827612 QKYZRTJTBLECTE-GOSISDBHSA-N 417.465 3.837 0 50 HHAA Cc1ccc2nc(CNCc3ccccc3OCC(=O)N3CCC(C)CC3)[nH]c2c1 952866969 HFYWUHSWEBKKCV-UHFFFAOYSA-N 406.530 3.798 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCCN(c4ccncc4C)CC3)cc2)n1 952989270 RGGFDIHFSVHAOK-UHFFFAOYSA-N 403.530 3.604 0 50 HHAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3ccccc3C(F)(F)F)C1)CC2 1704340279 YPGRDNRXRYWVSC-NRFANRHFSA-N 418.463 3.611 0 50 HHAA CO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(OCCCN3CCOCC3)cc1)C2 1704342907 GJMQHTDAHVYDPX-RPWUZVMVSA-N 402.579 3.569 0 50 HHAA Cn1cnc(C(=O)N2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)c1 1857705743 TWKHRPYJLZRPTJ-OAQYLSRUSA-N 410.562 3.522 0 50 HHAA CC(F)(F)c1noc(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)n1 1875352532 KKUIACMAILHOIR-UHFFFAOYSA-N 411.416 3.690 0 50 HHAA O=S(=O)(NC1CC1)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1 1875391249 XVFXMVGYWKHLGR-UHFFFAOYSA-N 408.405 3.833 0 50 HHAA O=C(c1cccc2ncsc12)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 2356170870 MKBWQRSFWBXKKO-QFIPXVFZSA-N 406.511 3.790 0 50 HHAA O=C(O)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2)c1 754748 IVVHCUMBWWVAOK-UHFFFAOYSA-N 404.378 3.588 0 50 HHAA COC(=O)c1ccc(-n2nnnc2SCc2ccccc2Br)cc1 1077907 KKZRBRWETMVSBU-UHFFFAOYSA-N 405.277 3.504 0 50 HHAA CCOC(=O)[C@](O)(c1ccc(N(CC)C(=O)c2cccc(F)c2)cc1)C(F)(F)F 2058449 ZHJVEVKTWCQOBE-LJQANCHMSA-N 413.367 3.805 0 50 HHAA CCOC(=O)CCc1c(C)c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2oc1=O 2855566 CRCUDZMPHHOPAH-UHFFFAOYSA-N 423.465 3.923 0 50 HHAA CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 2859199 DJYZBIARJIRAKQ-UZLBHIALSA-N 414.527 3.827 0 50 HHAA CCOC(=O)C1CCN(C(=O)C2CCN(Cc3cccc4ccccc34)CC2)CC1 4551102 KXLBDZHMRJPJKP-UHFFFAOYSA-N 408.542 3.854 0 50 HHAA Cc1nn(C)c(C)c1CN(C(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1)C(C)C 11769137 JRMWSTOUXVRRIS-IBGZPJMESA-N 402.583 3.735 0 50 HHAA C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 11910977 YHOONRXVGGIWAB-GOSISDBHSA-N 415.541 3.591 0 50 HHAA Cc1ncsc1CCC(=O)NC[C@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 11980271 LMYSNJHKKLMQPR-OAHLLOKOSA-N 414.918 3.614 0 50 HHAA CC(C)CN1CCC([C@@]2(Cc3ccccc3Cl)NC(=O)N(CC3CC3)C2=O)CC1 12038392 MKDCIAWZOTYRHI-HSZRJFAPSA-N 417.981 3.951 0 50 HHAA CN(C)C[C@@H](O)COc1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)cc1 12752256 UGRASIXFNMMXRR-HSZRJFAPSA-N 400.538 3.582 0 50 HHAA COc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)c4ccc(C)s4)CC[C@@H]32)cc1 14991737 IQBVJJGGASSHTR-QUCCMNQESA-N 412.555 3.761 0 50 HHAA CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)O)c2C(N)=O)C1 17091532 VLLUAGVDCRMXJZ-OQMSMLFNSA-N 418.559 3.828 0 50 HHAA COc1cc(CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)ccc1F 19635744 WVJCNWGHJGBCLF-FQEVSTJZSA-N 413.537 3.630 0 50 HHAA Cc1nc2ncccn2c1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 19743214 BWJPKAXFHRILGM-GOSISDBHSA-N 418.476 3.806 0 50 HHAA COc1cc(CN2CCN(Cc3cccc4ccccc34)C[C@@H]2CCO)cc(OC)c1 20210024 ZBLTUBSRCCPCIJ-QHCPKHFHSA-N 420.553 3.926 0 50 HHAA Cc1nc(-c2ccc(F)cc2)n(Cc2nc(-c3ccccc3)oc2C)c(=O)c1CCO 169754363 WMLLQBSRLFMUSG-UHFFFAOYSA-N 419.456 3.904 0 50 HHAA C=CC(=O)NCc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 195709299 XAOJRXAIGQROMR-UHFFFAOYSA-N 412.511 3.858 0 50 HHAA C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 242302161 YPYUJHAIPOMKOI-MDZRGWNJSA-N 405.498 3.869 0 50 HHAA CC(C)c1c(C(=O)Nc2ccc(-n3nccn3)nc2)cnn1-c1ccccc1Cl 790361940 FEXFJQIELWHCGT-UHFFFAOYSA-N 407.865 3.877 0 50 HHAA Cc1nnc(SCC(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)o1 1506341498 CIXJDKFRKBLRHA-UHFFFAOYSA-N 417.922 3.920 0 50 HHAA CCN1CC[C@H](Oc2ccc3c(c2)CCOC32CCN(C(=O)c3ccoc3C)CC2)C1 1857678207 ILINXTCFIBOULM-NRFANRHFSA-N 424.541 3.765 0 50 HHAA Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)c2cccc(C)c2n1 1857718096 NSAWQQIAIAXNKM-UPVQGACJSA-N 403.526 3.996 0 50 HHAA CC(C)(C)c1ccc(CCCCC(=O)NCCS(=O)(=O)Nc2ccccn2)cc1 1875257513 FHHPCBBOENTFJV-UHFFFAOYSA-N 417.575 3.650 0 50 HHAA CCc1ncnc(N(C)CC2CCN(C(=O)c3cc4c(F)cccc4[nH]3)CC2)c1F 1875330029 KGKVGUYCZMZVMH-UHFFFAOYSA-N 413.472 3.787 0 50 HHAA O=C(N[C@@H](C(=O)O)c1ccc(F)cc1)c1ccn(-c2ccc(Cl)cc2Cl)n1 1875333864 OCMKIQNZAYZGEQ-MRXNPFEDSA-N 408.216 3.874 0 50 HHAA CO[C@H](COC(=O)c1cc(Br)c2n[nH]cc2c1)Cc1ccc(F)cc1 2325838979 FJVBRKIBIRGGSD-HNNXBMFYSA-N 407.239 3.879 0 50 HHAA COc1cccc(CN2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)c1OC 2356148740 PSDOBHNEJABPAW-RUZDIDTESA-N 408.542 3.904 0 50 HHAA O=C(Nc1c(C(=O)NCc2ccco2)cnn1-c1ccccc1)c1cccc(F)c1 752785 AEJPPJWLDYNVNO-UHFFFAOYSA-N 404.401 3.787 0 50 HHAA C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 1147949 APHMRPVKRJLDRN-OPAMFIHVSA-N 402.450 3.956 0 50 HHAA COc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1Cl 1194309 AUMLYOFLISJRQB-UHFFFAOYSA-N 418.902 3.907 0 50 HHAA COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O 2813118 RDBFQBFACKSWGW-UHFFFAOYSA-N 421.277 3.546 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CC[C@H](C)C2 3959169 BGRJRYTTXMAGDM-BLLLJJGKSA-N 401.484 3.828 0 50 HHAA COc1ccc(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)c2ccccc12 4190004 RPULQKACDHWYQJ-UHFFFAOYSA-N 410.539 3.976 0 50 HHAA CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cc(Br)ccc1F)CC(=O)N2 4625665 KEZUKJOILLCXPU-JTQLQIEISA-N 412.284 3.648 0 50 HHAA COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCc2ccccc2)cc1 4844932 VGUKWERPGZWJJM-NKFKGCMQSA-N 400.478 3.825 0 50 HHAA CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cc1 9043258 BKRHNEVJVPBIBN-DEDYPNTBSA-N 416.458 3.894 0 50 HHAA O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1CCCn1cccn1 12309035 KTTFAFBFVSWVCQ-QFIPXVFZSA-N 405.502 3.954 0 50 HHAA O=C(NCc1ccco1)/C(=C/c1ccco1)NC(=O)c1cccc(Br)c1 12658951 PEAKZMJPZMXMDW-BOPFTXTBSA-N 415.243 3.722 0 50 HHAA CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1OCC(=O)O 13915167 GCTUZHYKEOFELC-QPEQYQDCSA-N 418.243 3.804 0 50 HHAA CC[C@@H](O)C1CCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)CC1 14960786 RMEMMCJYSNKROE-OAQYLSRUSA-N 418.578 3.570 0 50 HHAA Cc1cc(CN[C@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 14998353 GRVSHRHBDCZMCJ-KRWDZBQOSA-N 420.538 3.644 0 50 HHAA CCn1c(/C=C/c2ccccc2O)nc2ccc(I)cc2c1=O 15857467 OFDCFDNUABJJJT-JXMROGBWSA-N 418.234 3.897 0 50 HHAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 95503512 WWCYHWFNGWNBMS-DEOSSOPVSA-N 404.466 3.742 0 50 HHAA COC(=O)c1cccc(-c2nc([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)c1 169755251 XQAVJOHSFDZSRO-ZDUSSCGKSA-N 415.808 3.836 0 50 HHAA O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@@H](Nc2ccccc2)C1 170622767 QEBRPNRQAWPQLX-QGZVFWFLSA-N 411.303 3.961 0 50 HHAA COC(=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@@]12C 253498923 DLYVTEULDNMQAR-IUOQXBIKSA-N 422.606 3.537 0 50 HHAA in-vitro O=C(c1cc2ccccc2[nH]1)N1CC[C@]2(CCCN(CCc3ccccc3)C2=O)C1 426387144 UVMKQIAUKABVPG-RUZDIDTESA-N 401.510 3.865 0 50 HHAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)CCc1ccc(C)cc1C)CC2 431976964 IVEYAGBPLOCVSE-FQEVSTJZSA-N 411.498 3.854 0 50 HHAA CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3cc(C)no3)cc2c1C 473908057 DNDAYJYJWHBFAJ-INIZCTEOSA-N 418.471 3.740 0 50 HHAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1ccc(-c2ccccc2Cl)o1 670448911 WFTABELGMQJDAC-LJQANCHMSA-N 411.889 3.798 0 50 HHAA Cc1nc(O)nc(C)c1CCC(=O)N[C@@H]1CCC[C@@H](CN(C)Cc2ccccc2)C1 2100540470 JNRBURCZLAUIPJ-NHCUHLMSSA-N 410.562 3.539 0 50 HHAA NC(=O)[C@@H](NC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1ccccc1F 2325703298 FSFNQFNRTDCQSO-NRFANRHFSA-N 405.429 3.776 0 50 HHAA Cc1ccc(Oc2ccc(NC(=O)c3ccc(=O)n(CC(F)(F)F)n3)cn2)cc1 2325875740 ATLKCFAZEZTHEF-UHFFFAOYSA-N 404.348 3.554 0 50 HHAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 861087 BDDJLFJKCZNKKW-PZJWPPBQSA-N 408.454 3.829 0 50 HHAA biogenic COC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 1127564 XUXSTEQSDWZDFK-UHFFFAOYSA-N 424.478 3.551 0 50 HHAA CCOC(=O)[C@H](O[C@@H](C(=O)OCC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 2141119 RBCNFZPNADGEDT-WDSKDSINSA-N 424.919 3.607 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1cccs1 2334973 DAAKEPVZYJKZQV-UHFFFAOYSA-N 404.517 3.775 0 50 HHAA CCCSc1ccc2[nH]c(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc2c1 4755855 PSRZHENSZSRXNW-UHFFFAOYSA-N 408.483 3.971 0 50 HHAA CCOc1ccc(Br)cc1[C@H]1NC(=S)NC(C)=C1C(=O)OC(C)C 5573491 GUEHCIIYVHOOKM-OAHLLOKOSA-N 413.337 3.592 0 50 HHAA Cc1ccc2c(c1)CCCN2S(=O)(=O)c1csc(C(=O)Nc2cc(C)on2)c1 6681834 YHRJBQZSDRLCSJ-UHFFFAOYSA-N 417.512 3.747 0 50 HHAA O=C(C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCCCCC1 11817768 JKADMNDPJLKNDC-UHFFFAOYSA-N 410.562 3.911 0 50 HHAA Cc1csc(CNC(=O)c2cccc(OC3CCN(Cc4ccncc4)CC3)c2)n1 11843795 WOURQQNAKGNRJL-UHFFFAOYSA-N 422.554 3.820 0 50 HHAA COc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2cccc(F)c2)cc1OC 11981125 IWLWFAQRGKTDTR-UHFFFAOYSA-N 416.474 3.629 0 50 HHAA Cc1nn(C)cc1CN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 12387398 PABIAUACTIVGRQ-UHFFFAOYSA-N 420.561 3.724 0 50 HHAA Cc1cc(C(=O)N[C@H](C)CN2CCCCC2)c2c(-c3ccc4c(c3)OCO4)noc2n1 13641526 HPJLOOVCFHZZNR-OAHLLOKOSA-N 422.485 3.531 0 50 HHAA Cc1ccc(C(C)C)c(OCCSc2nc3ccccc3n2C[C@@H](O)CO)c1 13786399 ITHIRNVMXXGEOM-QGZVFWFLSA-N 400.544 3.992 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[C@H](C(N)=O)C2)cc1F 14964131 ZOVDFIXHXVANIA-SFHVURJKSA-N 422.504 3.693 0 50 HHAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)c3C)n2)cc1NC(C)=O 16651817 XVYYJZHKXUSILP-UHFFFAOYSA-N 418.497 3.687 0 50 HHAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Cl)cc2)cc1Cl 19166764 UULNPHDSVQHYTC-OTWHNJEPSA-N 416.308 3.837 0 50 HHAA CCn1cncc1Cn1ccc(-c2cccc(-c3ccc(C(=O)N(C)C)cn3)c2)n1 19794645 XXDJBWITLYLJGE-UHFFFAOYSA-N 400.486 3.579 0 50 HHAA COc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc(OC)c1 20906226 XOBPOBDLJMITKE-HXUWFJFHSA-N 413.537 3.630 0 50 HHAA NC(=O)c1c(SCc2ccc(Cl)cc2Cl)sc2c(O)cc(=O)[nH]c12 36357587 NEAQDTGIIYFEQY-UHFFFAOYSA-N 401.296 3.993 0 50 HHAA Cc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)c1 65362361 IMZMAZFJPXGVFU-SFHVURJKSA-N 402.502 3.744 0 50 HHAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCN(CC(=O)O)CC1 67946488 FDBVYIVPSNEGCU-UHFFFAOYSA-N 407.470 3.645 0 50 HHAA Cc1ccc(-c2cc(CN3C[C@H]4CC[C@@H]3CN(C(=O)c3ccccn3)C4)on2)cc1 95361617 XKJOQYYMJPNTOF-UYAOXDASSA-N 402.498 3.782 0 50 HHAA Cc1ccc(-c2csc(NC(=O)C(=O)NCCCNc3ccccc3)n2)s1 170618536 OLPXISXQNYBTMZ-UHFFFAOYSA-N 400.529 3.737 0 50 HHAA O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)cc1 197186590 APRMULIUJRMIPI-LLKJBZILSA-N 408.885 3.703 0 50 HHAA O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O)Nc1ccc(Cl)cc1 239274718 APRMULIUJRMIPI-RUXLODGWSA-N 408.885 3.703 0 50 HHAA Cc1cccc(CC(=O)NC[C@@H]2CCC[C@H](NC(=O)COc3ccc(F)cc3)C2)c1 1857681176 BHYOTSCNYXPEGF-CTNGQTDRSA-N 412.505 3.547 0 50 HHAA O=C(c1ccnc2ccccc12)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857714713 IJLKJVLYQSAPQR-ZEQRLZLVSA-N 401.510 3.913 0 50 HHAA COc1cccc(NC(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)c1 1857724743 ASNKRMTXLXXTIW-WSTZPKSXSA-N 401.894 3.685 0 50 HHAA O=C(NCCCO)c1ccc(-c2ccc3[nH]c(O)c(-c4cccs4)c(=O)c3c2)cc1 2356168247 VZKLOFVMJSFIBN-UHFFFAOYSA-N 420.490 3.741 0 50 HHAA C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1065504 AXFNKANPZKFQPO-QGZVFWFLSA-N 410.495 3.571 0 50 HHAA Cc1c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)c(=O)n(-c2ccccc2)n1C 1197122 YLODKBMOSJRQRM-UHFFFAOYSA-N 409.445 3.537 0 50 HHAA CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@]2(CC)C(=O)c1ccc(Br)cc1 4029756 HHJZEZAEEBZHAM-JVPBZIDWSA-N 409.276 3.543 0 50 HHAA biogenic CCN(CC)CCOC(=O)Nc1ccc(C)c(NC(=O)OCCN(CC)CC)c1 4775536 MLPZIFDIEPIDIT-UHFFFAOYSA-N 408.543 3.776 0 50 HHAA CCOC(=O)c1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)nc1-c1ccccc1 5510628 PPZCCVUBFFFPBO-KBPBESRZSA-N 402.472 3.816 0 50 HHAA CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(CN2CCCCC2)cc1 6887517 YILSNQZTXUEWLG-UHFFFAOYSA-N 419.547 3.595 0 50 HHAA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1 11697486 DTTUYTILWWVYSS-UHFFFAOYSA-N 416.529 3.875 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc(C3CC3)on2)C1 12055325 ZRXHYUBELSMTFR-QFIPXVFZSA-N 418.440 3.858 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2cccs2)C1 12431529 FMSXRDNYFZAGJG-HXUWFJFHSA-N 407.557 3.633 0 50 HHAA O=C(c1nc(N2CCCC2)nc2c1CCCC2)N1CCCC[C@@H]1CCc1ccccn1 12449219 VHAPCAJLRHEBCO-HXUWFJFHSA-N 419.573 3.978 0 50 HHAA COC(=O)c1ccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc1 14955617 ZWSMVPUSGPFIBS-SFHVURJKSA-N 412.505 3.639 0 50 HHAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 14958849 QLNFDKLLROOLFE-GOSISDBHSA-N 424.522 3.827 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)NCc2ccccc2)C1 17090009 IMIPKKPWGSZJMY-CQSZACIVSA-N 414.527 3.996 0 50 HHAA Cc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnc(N(C)C)s2)CC1 19222025 KSPDKWKKIPFHSV-UHFFFAOYSA-N 424.574 3.803 0 50 HHAA Cc1cccc(Cn2cnc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)n2)c1 20616178 GCVJVUPRALSFNJ-UHFFFAOYSA-N 420.420 3.854 0 50 HHAA CC(C)(C)OC(=O)Oc1ccc(I)nc1Br 35270365 NTCCNGUKLGPNQT-UHFFFAOYSA-N 400.010 3.763 0 50 HHAA in-vitro C[C@H]1CN(CCC(=O)N(C)C[C@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 39510070 GEAJAEVKGHTLRC-JXFKEZNVSA-N 402.922 3.505 0 50 HHAA O=C(/C=C/c1ccccc1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95378447 ZGPPHBFLBAOTCA-ALOGVJLUSA-N 402.494 3.517 0 50 HHAA Cc1cc(C)n(-c2cccc(CN3CCN(Cc4ccccc4C)[C@H](CCO)C3)c2)n1 104391101 BTYXTQTXDHONPF-AREMUKBSSA-N 418.585 3.866 0 50 HHAA Cc1ccc(Cn2c(C3CCN(C(=O)c4ccc(C)c(C)c4)CC3)n[nH]c2=O)cc1 169770206 GOXSYHWEKWKJOS-UHFFFAOYSA-N 404.514 3.565 0 50 HHAA Cc1c(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)cnn1-c1ccccc1F 170601269 JEWVZYICJVKJPW-YJBOKZPZSA-N 416.497 3.838 0 50 HHAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 253411674 ZBHKKVNWYMQFSD-FGONPVCZSA-N 402.491 3.805 0 50 HHAA O[C@@H](c1ccncc1)c1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccccc1)CCO2 299764473 HGAUHIPMYKCUOA-VWLOTQADSA-N 412.493 3.948 0 50 HHAA CSc1ccc(O[C@H](C)C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)cc1 328592412 HZVBMZBWKDMRLD-WTNAPCKOSA-N 414.571 3.706 0 50 HHAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cc(O)nc3ccc(C)cc23)CC1 1506421581 QSUQAJKRNLIDDN-UHFFFAOYSA-N 418.541 3.813 0 50 HHAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccccc1OCCc1ccccc1 1704308722 IHVNVDMQYMWSRX-UHFFFAOYSA-N 406.530 3.544 0 50 HHAA COc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)c2ccccc2n1 1857673925 OQNAWKORYLLFQT-FKRCVWNDSA-N 402.494 3.842 0 50 HHAA CCc1cc(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)on1 1857704613 ZITXVQMFFYCMTL-OAQYLSRUSA-N 411.546 3.949 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccccc2)cc1 1173514 ZOEVINBEUFFPCO-UHFFFAOYSA-N 408.523 3.815 0 50 HHAA COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)C(C)C 2871358 OTHCSFRBZKXSML-UHFFFAOYSA-N 402.447 3.568 0 50 HHAA CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)CC1 2875876 KEOGZLQYXQRQOA-UHFFFAOYSA-N 424.522 3.736 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC1)OCC2 2356162323 HOPTUXOTOPNPAH-UHFFFAOYSA-N 401.890 3.687 0 50 HHAA O=C1N([C@H]2CC[C@H](O)CC2)CCC[C@@]12CCCN2Cc1ccc(OC(F)F)cc1 2356170861 HNPFKUIPQNQLDZ-SPEDKVCISA-N 408.489 3.549 0 50 HHAA O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 4261698 VGLMEBSZWBJGQV-DEOSSOPVSA-N 405.586 3.722 0 50 HHAA COc1ccccc1NC(=S)N[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl 8687192 AKGMCSXNEKXPRK-ZDUSSCGKSA-N 422.721 3.701 0 50 HHAA Cc1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 20103535 SRJAAHRUGMUFGU-NRFANRHFSA-N 411.465 3.856 0 50 HHAA COc1ccc(CCN(Cn2nnc3ccccc32)C(=O)OC(C)(C)C)cc1OC 32603017 APBULEKIIMOXJJ-UHFFFAOYSA-N 412.490 3.886 0 50 HHAA CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1C(=O)NC1CCCC1 17082919 RTOIUWWMFAMKHX-HOTGVXAUSA-N 404.532 3.897 0 50 HHAA COc1ccc(OC)c(N2C(=O)C[C@@H](Sc3nc4ccccc4s3)C2=O)c1 96850529 HSXGWEXIJUHZLK-MRXNPFEDSA-N 400.481 3.738 0 50 HHAA O=C(NCCN(CC(F)F)C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 170597672 RBPSXQOUQCSIBG-DOIPELPJSA-N 412.480 3.804 0 50 HHAA COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)OCCO2 734807505 SLKROMNVIFZWRE-LJQANCHMSA-N 414.458 3.671 0 50 HHAA CCc1c(C(=O)N(C)Cc2cccs2)c(=O)cc(C)n1C[C@H]1CCCN1CC 12212311 AAHSFIHJQPQPJV-QGZVFWFLSA-N 401.576 3.537 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 12457424 UFZRISHEAVDIPJ-HXUWFJFHSA-N 402.450 3.847 0 50 HHAA COC(=O)c1ccccc1C(=O)N(C)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 12578045 GAZUVUQKVUUQRW-LJQANCHMSA-N 412.505 3.639 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccc(C)cc5C)n4)c3CO2)cc1 169769043 WKVWDAXILYLOAT-IBGZPJMESA-N 403.442 3.892 0 50 HHAA C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nnc2ccc(-c3ccccc3)nn12 169778666 ONKMEFZZPQGRRU-AWEZNQCLSA-N 407.861 3.528 0 50 HHAA Cc1ccc(CN2CCC3(CC2)CN(Cc2cccc(O)c2)C[C@H]3C(=O)O)s1 1857683817 ZHCGFWZMHOLIMO-FQEVSTJZSA-N 400.544 3.561 0 50 HHAA CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCC(=O)O 5022176 LDLQIFUXWLDWCN-UHFFFAOYSA-N 400.431 3.540 0 50 HHAA CN1CC[C@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)[C@H](c2cnn(C)c2)C1 849577075 GMDSLCLTSYCIFA-GOTSBHOMSA-N 400.526 3.712 0 50 HHAA CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc(Br)c2)cc1OC 12412050 XTULTIMLNQDAOX-OAHLLOKOSA-N 422.275 3.802 0 50 HHAA COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1OC 729159 NDCVGZHLLGWUIQ-SFHVURJKSA-N 417.918 3.789 0 50 HHAA CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1 1142373 YAELHOQEUVJCAR-UHFFFAOYSA-N 400.870 3.502 0 50 HHAA COc1ccccc1CC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2CCC(C)C 2356145239 HMLKXEXUCVQWSA-MLNNCEHLSA-N 412.574 3.902 0 50 HHAA COc1cccc(NC(=O)COc2ccccc2C(=O)NCCOc2ccccc2)c1 4985840 TYBYLSVDYUURSF-UHFFFAOYSA-N 420.465 3.522 0 50 HHAA CCOc1ccccc1-c1nnc(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)n1CC 101948326 CWPYVDQQUPMLSF-YQQAZPJKSA-N 400.548 3.761 0 50 HHAA COc1cc(Cl)cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c1OC 104385455 GLMPSZZIRBGOBQ-OAQYLSRUSA-N 418.965 3.734 0 50 HHAA O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccccc2)CC1 22916698 HPCOUMLRYSZTCR-RUZDIDTESA-N 402.538 3.911 0 50 HHAA COc1cc(OC)c(NC(=O)[C@H](C)n2nc(-c3ccccc3)ccc2=O)cc1Cl 20095721 WBQOVLJAXVMSDI-ZDUSSCGKSA-N 413.861 3.781 0 50 HHAA Cc1ccc(CN2CCC(C(=O)N(C)Cc3nc(-c4ccccc4)no3)CC2)cc1 67602214 BPFIBMLTBXAGKX-UHFFFAOYSA-N 404.514 3.916 0 50 HHAA Clc1ccc(-c2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)cc1 65364448 SBXXAUZGBPCOIT-UHFFFAOYSA-N 410.934 3.828 0 50 HHAA CCn1cc(CN(C)C(=S)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cn1 6145015 VIZBWUACLVWQAH-LBPRGKRZSA-N 406.577 3.705 0 50 HHAA C[C@@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3ccc4c(c3)OCO4)c3cccc1c32 12417594 LNOWUMLZVGLRMA-JCQPUDPBSA-N 422.506 3.981 0 50 HHAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(-n4ccnn4)c3)c12 489161361 UNFLYTPKQXEXDV-UHFFFAOYSA-N 409.453 3.777 0 50 HHAA CCn1ncc(-c2csc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)n2)c1C 20607508 MMDZQFHBXRMKMY-UHFFFAOYSA-N 424.452 3.678 0 50 HHAA Cn1c([C@H](Cc2ccccc2)NC(=O)C[C@H]2NC(=O)c3ccccc32)nc2ccccc21 253408872 LDSYTBVBYZUWEM-YADHBBJMSA-N 424.504 3.848 0 50 HHAA CC1(C)C[C@@H](C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)CCO1 299770198 QFJSKZJYZRUYPF-PZJWPPBQSA-N 418.553 3.661 0 50 HHAA C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 5766575 DDVBPZROPPMBLW-IZGXTMSKSA-N 421.559 3.860 0 50 HHAA in-vitro O=C(NC[C@H]1CCC2(CCN(Cc3nc4ccccc4[nH]3)CC2)O1)c1ccccc1 11784695 PHRWWDLORJYRHP-LJQANCHMSA-N 404.514 3.507 0 50 HHAA C[C@@]1(C2CCN(Cc3cc4ccccc4[nH]3)CC2)NC(=O)N(Cc2ccsc2)C1=O 11871109 AOFFHQCPIBKFEK-QHCPKHFHSA-N 422.554 3.952 0 50 HHAA CN(Cc1ccco1)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 11936557 SQBFIDFGCCSYQY-UHFFFAOYSA-N 405.564 3.872 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1cc(C)oc1C 12223769 SWSAJXTVMGPFOW-UHFFFAOYSA-N 414.546 3.906 0 50 HHAA Cc1nc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cs1 12752558 NEMFKXVKFNXNFG-AWEZNQCLSA-N 407.486 3.679 0 50 HHAA Cc1ccc(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)o1 12754127 YCTQFMUEJRNUJU-UHFFFAOYSA-N 419.953 3.576 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)Cc4ccccc4F)C3)[nH]n2)cc1 169755584 BNADIFKGQIIYAW-SFHVURJKSA-N 408.477 3.552 0 50 HHAA O=C(c1c[nH]c2ncc(Br)cc12)N1CCO[C@@]2(CCc3ccccc32)C1 472399069 USHYWLQNLURWSQ-FQEVSTJZSA-N 412.287 3.640 0 50 HHAA O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1ccc(COc2ccccc2)s1 2325720491 LJYFHUPYQOWEDC-NRFANRHFSA-N 420.534 3.947 0 50 HHAA O=C(OCc1ccccc1)N1CC[C@]2(C[C@H]2C(=O)N2CC[C@H](c3ccc(O)cc3)C2)C1 2325873722 QVZZDWUOWJUBQT-XTJBDQBJSA-N 420.509 3.757 0 50 HHAA O=C(O)c1occc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1ccccc1F 2325874501 OYPPSVPBHCWCEL-MRXNPFEDSA-N 409.822 3.838 0 50 HHAA CCOC(=O)c1c(NC(=O)C2CC2)sc(C(=O)Nc2cccc(OC)c2)c1C 805503 VVKKOZNQQAZIMQ-UHFFFAOYSA-N 402.472 3.843 0 50 HHAA O=C(N/C(=C\c1ccc(-c2ccccc2)o1)C(=O)N1CCOCC1)c1ccccc1 848410 GEKQJFXWIAJLGP-FXBPSFAMSA-N 402.450 3.576 0 50 HHAA COC(=O)C1=CN(c2ccc(F)c(F)c2)C=C(C(=O)OC)C1c1cccc(F)c1 1141019 QXJGEKVIGCDWSR-UHFFFAOYSA-N 403.356 3.822 0 50 HHAA N=c1c2c(-c3ccccc3)c(-c3ccccc3)oc2ncn1CCN1CCOCC1 2199666 RJNZEOJQDXBBBZ-UHFFFAOYSA-N 400.482 3.775 0 50 HHAA CCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Br)cc2)cc1 2886477 YLJGZFMOMSOWML-UHFFFAOYSA-N 418.320 3.718 0 50 HHAA Cc1ccccc1N1C[C@H](c2nnc(NC(=O)CCc3ccccc3)s2)CC1=O 9198262 YCULZCTZLDHZRA-QGZVFWFLSA-N 406.511 3.938 0 50 HHAA Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)c2c(C)nc3ncccn23)C1 11664666 IUQOIEHCWAZEHP-QGZVFWFLSA-N 423.492 3.756 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 11814043 JTIVVXBZSWBBED-IBGZPJMESA-N 413.472 3.627 0 50 HHAA Cc1ccc(CNC(=O)c2sc3ncnc(NC[C@@H]4CCCO4)c3c2C)cc1F 12128448 ANCMJHRHMJBXLB-HNNXBMFYSA-N 414.506 3.968 0 50 HHAA O=C(c1cn(C2CCCCC2)nn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 12707572 PACPKBLIEVWODQ-UHFFFAOYSA-N 422.451 3.926 0 50 HHAA CCc1sc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1Br 16400557 KSUSNRBDXZQURY-UHFFFAOYSA-N 423.332 3.798 0 50 HHAA O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 17090765 CDAQZPATSIGLSB-LSDHHAIUSA-N 416.543 3.905 0 50 HHAA CCOc1cc2c(cc1OC)[C@H](c1cccc(I)c1)NCC2 20506553 UPDPAIJDTMGEDP-SFHVURJKSA-N 409.267 3.934 0 50 HHAA CN(Cc1ccsc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 67447106 XULMGDZYWBLPJW-NRFANRHFSA-N 407.539 3.876 0 50 HHAA Cc1cc(C(=O)N(CCN2CCCCC2)C[C@H]2CCCN(C3CCCC3)C2)on1 95504168 USZLLKRNJAXQCU-FQEVSTJZSA-N 402.583 3.566 0 50 HHAA CCOc1ccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(OC)cc3)C4)no2)cc1 169769046 QOIUZVXVQCSMPP-LJQANCHMSA-N 419.441 3.674 0 50 HHAA CC[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C12CC3CC(CC(C3)C1)C2 252430610 AHPNRCUJTWJFJA-LMFRQWAASA-N 400.563 3.663 0 50 HHAA Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CC(=O)N(c3ccc(C(C)C)cc3)C1)nn2C 952868562 CDPLHNNFIJIVTG-GOSISDBHSA-N 404.514 3.674 0 50 HHAA Cc1n[nH]c(C)c1CCCN(C)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 952979864 GFVFUKLIGAVWGV-UHFFFAOYSA-N 416.953 3.623 0 50 HHAA Cc1cc(-c2cc(S(=O)(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c(C)s2)n[nH]1 1506411324 IJKKAHYWXKHQJZ-LBPRGKRZSA-N 419.528 3.566 0 50 HHAA COc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2onc(C)c2C)o1 1506427585 LIMDNKRVWFOYFF-KRWDZBQOSA-N 402.472 3.916 0 50 HHAA CCNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2Cc1cc(OC)c2c(c1)OCO2 1704342283 LIMLVZDBNIQWIE-WPWBMXPQSA-N 422.525 3.526 0 50 HHAA O=C(CC1(C(F)(F)F)SCCS1)N1CCC[C@@H]1c1nnc2n1CCCCC2 1875254499 XCMJCLXGTULNDD-GFCCVEGCSA-N 420.526 3.797 0 50 HHAA O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)[C@@H](O)CC1CCCCC1 1875262473 WFWHLGYOAWDGDD-YADHBBJMSA-N 407.514 4.000 0 50 HHAA CC(C)(C)N1CC[C@@](F)(C(=O)NCc2cccc(-c3nc(-c4ccncc4)no3)c2)C1 2325736147 YZMNXLGADIJPOZ-QHCPKHFHSA-N 423.492 3.627 0 50 HHAA O=C(CCc1ccccc1)Oc1ccccc1NC1=NS(=O)(=O)c2ccccc21 896542 DIYXYDVDMQBLBM-UHFFFAOYSA-N 406.463 3.786 0 50 HHAA COc1ccccc1N(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1 1137831 RYOUJQZPRZEIKI-UHFFFAOYSA-N 416.543 3.730 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cccnc2C(F)(F)F)CC1 2356134007 SERDGQKEFKHIQD-UHFFFAOYSA-N 406.404 3.813 0 50 HHAA CC[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1nnc(C(C)C)s1 2775568 DGJHGTDELQHSKF-GFCCVEGCSA-N 413.532 3.990 0 50 HHAA O=C(N[C@@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O)c1ccc(Cl)cc1Cl 2869314 YMXDQSZFWZWVAB-INIZCTEOSA-N 416.186 3.558 0 50 HHAA C[C@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccccc1 2960211 FPOBYXZVXQJBJO-LBPRGKRZSA-N 401.315 3.637 0 50 HHAA O=C(Cc1ccccc1)Nc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Cl 100750476 QTFQBJPWHLKKBR-LATRNWQMSA-N 406.869 3.833 0 50 HHAA CCOC(=O)[C@]12C(=O)OC(C)(C)[C@@H]1[C@@]2(CC)C(=O)c1ccc(Br)cc1 100641790 HHJZEZAEEBZHAM-ZMYBRWDISA-N 409.276 3.543 0 50 HHAA biogenic COc1ccc2[nH]c(CN3CCN(Cc4ccccc4F)[C@@H](CCO)C3)c(C)c2c1 23360235 RESOFKXCJQGPBV-IBGZPJMESA-N 411.521 3.693 0 50 HHAA CN1CCN(c2ncc(/C=C(/CCCC(=O)O)c3nc4ccccc4s3)cn2)CC1 328597281 GNCRCJCNVVNZAG-LGMDPLHJSA-N 423.542 3.634 0 50 HHAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)c1C 11765919 OFMOFMWSAUQBBQ-QGZVFWFLSA-N 412.486 3.552 0 50 HHAA NC(=O)C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1cccc(Cl)c1 431590715 VTYQRTSMGYFWFR-MRXNPFEDSA-N 403.269 3.730 0 50 HHAA C[C@]1(C(=O)O)CCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 237643326 DCQCQOUPAFTBIO-AVRDEDQJSA-N 414.889 3.524 0 50 HHAA CC(=O)Nc1ccc2nc(CN(C)CC3(N4CCOCC4)CCCCC3)ccc2c1 670440815 SMNPCMHPFYNVMI-UHFFFAOYSA-N 410.562 3.660 0 50 HHAA COc1ccc(CN(Cc2ccncc2)C(=O)c2ccccc2N2CCOCC2)cc1 952962437 DNUHZAHELDAKEC-UHFFFAOYSA-N 417.509 3.769 0 50 HHAA COc1cccc(CCNC(=O)[C@@H]2CC23CCN(C(=O)/C=C/c2cccs2)CC3)c1 11787605 KWDFQGUSWHQTCB-CQQBXOTJSA-N 424.566 3.758 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C2CCN(Cc3ccccn3)CC2)C1 11821352 HUBODLGTDVJOBO-SANMLTNESA-N 421.585 3.934 0 50 HHAA O=C(CC[C@H]1CCCN(C(=O)CCc2ccccn2)C1)NCc1ccc(F)c(F)c1 11934089 ULMXNKQAZAZYRR-QGZVFWFLSA-N 415.484 3.628 0 50 HHAA COC(=O)c1cccc(C(=O)N2CC[C@@]3(CCCN(Cc4cccc(OC)c4)C3)C2)c1 12433175 OZIHAHGGIWIKPE-RUZDIDTESA-N 422.525 3.610 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1ccc(F)c(F)c1)C2 14752573 JLWYUIFEFVLQKA-KRWDZBQOSA-N 416.516 3.845 0 50 HHAA Cc1cccn2c(CN(C)C3CCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 15067357 XNFDVHOLOLMVHF-UHFFFAOYSA-N 420.557 3.568 0 50 HHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(Cc2cnc(N(C)C)s2)C1 15078070 GGRPZBIYIVCRSG-QFIPXVFZSA-N 417.575 3.824 0 50 HHAA COc1ccc(Br)cc1CN1CCN(C(=O)c2cccc(F)c2)CC1 19559177 QXSNSOVACLGYLO-UHFFFAOYSA-N 407.283 3.555 0 50 HHAA COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(N(C)C)cc3)n2)cc1OC 169754682 AJPNBZFZUUGVGF-SFHVURJKSA-N 422.485 3.797 0 50 HHAA Cc1n[nH]c(C)c1CCN(C)C(=O)CN1Cc2ccccc2O[C@@H](c2ccsc2)C1 15002395 AAMQMMJXNMCGDY-JOCHJYFZSA-N 424.570 3.725 0 50 HHAA Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3cccc(Cn4cccn4)c3)c12 1875254288 DWBHDDIKGOVSRQ-UHFFFAOYSA-N 413.437 3.966 0 50 HHAA Cc1ncn(Cc2cccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)c2)c1C 1875262520 VLDQYFGRPZNBIE-NRFANRHFSA-N 402.498 3.535 0 50 HHAA C=CC(=O)N1CCCc2cc(C(=O)N[C@@H]3CCCCN(Cc4ccccc4)C3)ccc21 1875371502 DFDBBIIQQHHSKE-HSZRJFAPSA-N 417.553 3.936 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)OC(C)(C)C)cc1 1875373415 AGAORIAUZHHTHS-QFIPXVFZSA-N 420.509 3.917 0 50 HHAA CCCCCc1nc([C@H]2OCC(=O)N(C3CC3)[C@@H]2c2ccc(OC)cc2)n(CC)n1 2100537265 KXRAMRUQJMUDHA-YADHBBJMSA-N 412.534 3.843 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2Cl)c(OC)c1 909867 JYYRQUVQWBUOQH-GOSISDBHSA-N 401.850 3.624 0 50 HHAA Cc1c(CN2CCC[C@](CO)(CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C 55414783 MXBMINVHGARNFP-SANMLTNESA-N 419.569 3.692 0 50 HHAA CCN(CC)C(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)CN1Cc1ccccc1 23362921 HCBOEDNCMYVAOX-GCJKJVERSA-N 401.501 3.566 0 50 HHAA CCN(Cc1ccccc1)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 64120740 JSTLSEUSNGTAHI-UHFFFAOYSA-N 419.569 3.952 0 50 HHAA CCOC(=O)c1cnn(-c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)c1N 1384972 SSOKPWWHILBKRX-UHFFFAOYSA-N 419.285 3.612 0 50 HHAA Cc1ncsc1C(=O)NC1CCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 252680037 UWJAEJAYSOIFLL-SOLBZPMBSA-N 404.580 3.714 0 50 HHAA COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Nc1cccc(Cl)c1 72115708 RLUCWBWTCCAVSZ-UHFFFAOYSA-N 409.895 3.777 0 50 HHAA CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)Nc2ccccc2)C1 17090663 CNLJWVUAPAOLKN-ZDUSSCGKSA-N 416.499 3.555 0 50 HHAA CCc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)cc1 252020836 YFMMOCVQZBMPGN-IVAOSVALSA-N 422.912 3.738 0 50 HHAA Cc1ccc(Cl)cc1NC(=O)CC(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 1506421153 YQODJUVMGNMVCD-OAQYLSRUSA-N 414.933 3.819 0 50 HHAA COc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1Br 1196223 XIZFTCFZSVFTSU-MFOYZWKCSA-N 415.312 3.845 0 50 HHAA COc1ccc(CNCc2ccc(Cl)s2)cc1OC[C@@H](O)CN1CCCC1 11814815 SEVBAMMHJRMSPD-INIZCTEOSA-N 410.967 3.535 0 50 HHAA Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3c(C)nc4sccn34)C2)o1 11819163 BFALRJVMXYFOJJ-QGZVFWFLSA-N 400.548 3.914 0 50 HHAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2cnc(C)cn2)C3)s1 11967603 RQZIJDFAZJFQPS-HNNXBMFYSA-N 411.458 3.589 0 50 HHAA O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3cnccn3)c2O1)c1c(F)cccc1F 12028912 AYARFNAGFMQVGN-ZDUSSCGKSA-N 401.800 3.809 0 50 HHAA COc1ccccc1CNC(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C 12191463 LZWVONLEKKKTMX-OAHLLOKOSA-N 412.515 3.529 0 50 HHAA CCn1c(C(=O)OC)c(NC(C)=O)c2cc(N[C@H](C)Cc3ccccc3F)cnc21 14533847 WLLMKAFVGNXIBH-CYBMUJFWSA-N 412.465 3.983 0 50 HHAA O=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3nccs3)CC2)cc1 19608197 USMSXFLSEJWNRC-UHFFFAOYSA-N 408.527 3.512 0 50 HHAA Cc1ccc(C(=O)N2CCC(n3cc(-c4nc(-c5ccccc5)no4)nn3)CC2)cc1 169777559 AYVOLCLHAYTFTP-UHFFFAOYSA-N 414.469 3.781 0 50 HHAA CCCO[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)CCO3)CC[C@@H]1NC1CCCC1 1857692810 VNYUPEUZZZPTDD-RRPUWOKSSA-N 400.563 3.734 0 50 HHAA COc1cc(NC(=O)CCc2nc(-c3ccccc3OC)no2)c(OC)cc1Cl 4992940 NJSMXTMDVLVHPB-UHFFFAOYSA-N 417.849 3.987 0 50 HHAA CC(=O)N1CCN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)CC1 848172 XMYRPKYWRXALFW-UHFFFAOYSA-N 411.303 3.728 0 50 HHAA O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1cccc2ccccc12 1230606 RSSCUKIPWPUVDN-UHFFFAOYSA-N 403.463 3.822 0 50 HHAA CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)Nc1ccc(Br)cc12 4090754 LTXQVCNJSCAUTA-FQEVSTJZSA-N 410.271 3.531 0 50 HHAA biogenic Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)c1 8844994 ATCCXFPLFIWCFM-LJQANCHMSA-N 416.525 3.878 0 50 HHAA O=C(C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)N1C[C@H]2CC[C@H]1C2 102119367 ZDRQRSYEOCVKMQ-PXNSSMCTSA-N 408.546 3.520 0 50 HHAA CCc1ccccc1N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1ccccc1 101087417 DMTLEOYFKOVMBM-CUWPLCDZSA-N 412.555 3.749 0 50 HHAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72446870 HBPPSVZBSCRFRI-UHFFFAOYSA-N 413.525 3.706 0 50 HHAA C[C@H](NC[C@H](CO)Cc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1Cl 477924737 GQZDAFJQDUNPSA-DZGCQCFKSA-N 406.864 3.701 0 50 HHAA Cn1cc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c(-c2ccccc2)n1 12571020 KMQIXSGUZLOZHE-GOSISDBHSA-N 406.505 3.868 0 50 HHAA CCCN(C(=O)Cn1nc(C(F)(F)F)cc1C)c1nc(C)c(C(=O)OCC)s1 13961232 JLUVDOFIQOMPNH-UHFFFAOYSA-N 418.441 3.595 0 50 HHAA COC(=O)[C@@H]1CC[C@H](/C=C/C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1 199284850 KQFQPBRVHWUKQU-RIBQSRIRSA-N 417.502 3.865 0 50 HHAA CCc1c(C)sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C(=O)OC(C)C 17094046 BOFNVILLSACSDC-UHFFFAOYSA-N 424.544 3.943 0 50 HHAA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2)CN1Cc1ccccc1Cl 23362085 SXMMMKJRXQUMOD-FPOVZHCZSA-N 415.965 3.526 0 50 HHAA CN[C@@H](c1ccc(OC(F)(F)C(F)F)cc1)c1nnnn1-c1c(C)cccc1C 823870743 BQTNYPOILSTINC-HNNXBMFYSA-N 409.387 3.825 0 50 HHAA O=C(CC1(n2cccc2)CCSCC1)NCc1cc(Cl)cc2c1OCOC2 888104614 HJKIBFCMKYVBPY-UHFFFAOYSA-N 406.935 3.937 0 50 HHAA O=C(CCc1nc2ccc(F)cc2[nH]1)N(CCOc1ccccc1)C[C@H]1CCCO1 952977186 BGBYAIVVMPWQLA-LJQANCHMSA-N 411.477 3.721 0 50 HHAA CNC(=O)c1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 731322475 ZXPDARSHLLWXJE-UHFFFAOYSA-N 408.314 3.618 0 50 HHAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)c2ccccc2N2CCOCC2)c1C 11937419 FDALJTSXSAOPTG-SFHVURJKSA-N 404.514 3.817 0 50 HHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)CCc1c(C)n[nH]c1C)O2 12281500 LYASWUYIFBBZIQ-HXUWFJFHSA-N 417.509 3.949 0 50 HHAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)o1 12301459 IYQRQGJQUDFTKH-HNNXBMFYSA-N 404.894 3.890 0 50 HHAA COC(=O)c1cc(CNC(=O)c2cccc(Cl)c2)cc(NC(=O)c2ccco2)c1 15004722 JRFAPBCZWSACJX-UHFFFAOYSA-N 412.829 3.902 0 50 HHAA CC(C)Cn1cc(C(=O)NCc2cccs2)c(=O)c(C(=O)N2CCCCCC2)c1 15072382 WXEOHWXNHUHKJK-UHFFFAOYSA-N 415.559 3.512 0 50 HHAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(Cl)cc4)ccn3n2)c(C)c1 169775727 XTUDKOONLKIURZ-UHFFFAOYSA-N 420.900 3.863 0 50 HHAA COCCN1C(=O)C[C@@H](CNCC(C)=Cc2ccccc2)[C@@H]1c1cnn(C(C)C)c1 1857532160 AKUSRIYTCBTWTD-XUZZJYLKSA-N 410.562 3.693 0 50 HHAA O=C(NC1CC1)c1cc2c(s1)C1(CCN(C(=O)[C@H]3CC34CCCC4)CC1)OCC2 1857699047 GCOZALUEVMURJW-QGZVFWFLSA-N 414.571 3.611 0 50 HHAA NC(=O)c1ccccc1NC(=O)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8844046 QHKZXQYBCQWNGB-UHFFFAOYSA-N 410.433 3.867 0 50 HHAA Cc1nc2cc(O)nn2c(C)c1CC(=O)NC[C@H](Oc1ccccc1)c1ccccc1 1875263091 FHKVMEFZRGSCBH-NRFANRHFSA-N 416.481 3.531 0 50 HHAA CCc1ccc(-c2ccc(C(=O)N(CC(=O)NC)C[C@H]3CCO[C@@H]3C(C)C)o2)cc1 1875380690 WLBSZZMCFTXRIZ-AUSIDOKSSA-N 412.530 3.758 0 50 HHAA O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 833655 QZQLJZSRNFYIJZ-IZZDOVSWSA-N 414.874 3.583 0 50 HHAA COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(Br)c1OC 996090 PDBUQTREEDOYMR-ZSOIEALJSA-N 406.207 3.950 0 50 HHAA COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 1530579 OGHNVEJMJSYVRP-KRWDZBQOSA-N 406.482 3.738 0 50 HHAA aggregator,biogenic,fda O=C(CCSCCC(=O)Nc1nc2ccccc2[nH]1)Nc1nc2ccccc2[nH]1 2821288 CPOBMIWCDAUYJN-UHFFFAOYSA-N 408.487 3.530 0 50 HHAA CC(C)S(=O)(=O)c1ncc(CN(C)C(C2CC2)C2CC2)n1Cc1ccccc1F 11936584 ORKAVMNVWPHTSX-UHFFFAOYSA-N 419.566 3.873 0 50 HHAA CC(=O)Nc1cnn(-c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)c1 11968197 PSQCIMYYDYSFJD-UHFFFAOYSA-N 402.376 3.780 0 50 HHAA CN(C(=O)C1CCOCC1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 12282116 WIQCWBVDOQEJKA-XMMPIXPASA-N 424.585 3.832 0 50 HHAA COc1cccc(CNCc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn23)c1 12301960 HYBDMGCIMHECFW-UHFFFAOYSA-N 406.530 3.957 0 50 HHAA CN(C)C[C@H](O)COc1ccc(CN2CCC(Cc3ccc(F)cc3)CC2)cc1 12752262 UGRASIXFNMMXRR-QHCPKHFHSA-N 400.538 3.582 0 50 HHAA O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 13689280 NDNKEVANZKPGJU-UHFFFAOYSA-N 400.482 3.566 0 50 HHAA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)[C@@H](C(=O)O)C1 17082478 HMUFGBIGWBOOGP-CABCVRRESA-N 402.516 3.515 0 50 HHAA O=C1C[C@@H](/C=C/c2ccccc2)Cc2c1cnc1nc(N3CCCCC3)[nH]c(=O)c21 19973978 JYSWZGFRBWCKAY-FVNWOWOISA-N 400.482 3.767 0 50 HHAA CC[C@H](C(=O)NCCn1nc(C)c(Cl)c1C)n1nc(C(F)(F)F)c2c1CCC2 20607572 UENHFVFLWBDCIY-CYBMUJFWSA-N 417.863 3.625 0 50 HHAA Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1 52634547 IUVSEUFHPNITEQ-UHFFFAOYSA-N 405.473 3.981 0 50 HHAA investigational CC(C)Oc1cccc2c1c(NC(=O)N1CCN(C)CC1)nn2-c1ccc(F)cc1 77337876 ZCFSKKWNQWABAS-UHFFFAOYSA-N 411.481 3.731 0 50 HHAA CCn1cc(CNC(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)cn1 77407787 GZMIDSDHYJEZAM-UHFFFAOYSA-N 421.545 3.865 0 50 HHAA CN(C)c1cccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccccc3Cl)C4)no2)c1 169769194 LKLUEMQWNRZWGN-GOSISDBHSA-N 422.876 3.986 0 50 HHAA COc1cccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)c1 169769278 HFVIYHCMIWVJIT-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2cc(C(F)(F)F)ccn2)CC1 170598201 TZUSKZNCTVRERP-UHFFFAOYSA-N 412.843 3.823 0 50 HHAA CCCC[C@@H](CC)Cn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 170624338 FVGBNVFBRKKTCI-MRXNPFEDSA-N 407.518 3.570 0 50 HHAA O=C(NC[C@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1)C(F)(F)F 811856116 FBXWZFWGZQGHIZ-CQSZACIVSA-N 415.419 3.587 0 50 HHAA O=S(=O)(Cc1cc(F)ccc1Cl)N[C@H]1CCCN(Cc2ccccc2F)C1 826567255 CFLPFSAYNYVOCF-KRWDZBQOSA-N 414.905 3.702 0 50 HHAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N2CCC3(CCNC(=O)CC3)CC2)c1C 1506415747 CIAPMNUVUOHPSR-UHFFFAOYSA-N 406.592 3.672 0 50 HHAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529119415 WNJMWEMLLIIMCS-NHCUHLMSSA-N 400.906 3.515 0 50 HHAA O=C(CCN1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1)NC1CCCCCCC1 1704303541 KYSOFMNRSMJHJS-HYBUGGRVSA-N 409.574 3.689 0 50 HHAA CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 843802 MYPZUCGVJRYHNR-ZDUSSCGKSA-N 403.276 3.839 0 50 HHAA O=C(OC[C@H]1CC(c2ccccc2)=NO1)c1ccc(I)cc1 1068819 RQQCFPBCLFMIED-OAHLLOKOSA-N 407.207 3.641 0 50 HHAA Cc1cc(C)cc(CN2CCN(c3noc(-c4ccccc4)c3C(=O)O)CC2=O)c1 2356143299 BTRLKAGXUJYQPI-UHFFFAOYSA-N 405.454 3.505 0 50 HHAA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(F)cc1 4953386 OPWUAKVIPYAYSA-KRWDZBQOSA-N 405.882 3.919 0 50 HHAA CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)c1 6767392 NOGRKAQDNKDNQC-UHFFFAOYSA-N 401.466 3.630 0 50 HHAA CC(C)Cn1c(CN(C)C[C@H]2CCCCO2)cnc1S(=O)(=O)Cc1ccccc1 55283907 CHOJHMPDZUQMKB-OAQYLSRUSA-N 419.591 3.514 0 50 HHAA CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)c1 170623984 YVTDKNGKACYMSN-UHFFFAOYSA-N 418.559 3.612 0 50 HHAA CN1C(=O)C[C@@H](CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)[C@@H]1c1cnn(Cc2ccccc2)c1 486420379 UAYRLSDEPHSADW-CPCMLYTOSA-N 418.585 3.865 0 50 HHAA O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1ccc(Cl)cc1Cl 38783858 LKHYWKVUIPUMAL-UHFFFAOYSA-N 400.147 3.754 0 50 HHAA CSCC[C@@H](CO)NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 252495069 OMBYQWVSGSHPHJ-DZGCQCFKSA-N 406.375 3.735 0 50 HHAA Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1 670434986 BFPZSWSHJCFPSC-HSZRJFAPSA-N 416.525 3.601 0 50 HHAA CC(=O)Nc1cccc(S(=O)(=O)N[C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)c1 670469268 JFXLNQZZCYAPHJ-IBGZPJMESA-N 400.504 3.505 0 50 HHAA CCN(CCc1nc2ccccc2[nH]1)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 952860290 LELQYVBWEHMBCE-NRFANRHFSA-N 404.514 3.649 0 50 HHAA Cc1cc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)cc2sc(N)nc12 952987408 NMLUUPRYLCAGDS-ZXPDZVFASA-N 408.531 3.713 0 50 HHAA Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 170599061 OLFLHAQFCYBGLI-SFTDATJTSA-N 407.493 3.833 0 50 HHAA O=C(N[C@@H]1CC[C@@H](C(=O)Nc2cccc(N3CCOCC3)c2)C1)OCc1ccccc1 170595293 DFJLSAJDNMMBBF-TZIWHRDSSA-N 423.513 3.557 0 50 HHAA COC(=O)c1cccc(SC)c1NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 170609170 LCWPBXVVLVDIQR-UHFFFAOYSA-N 421.327 3.885 0 50 HHAA COC(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 11714207 HVVVMHHBBGJOER-HXUWFJFHSA-N 409.482 3.996 0 50 HHAA Cc1ccc(-n2cc(CN3CCC(n4nccc4NC(=O)C4CC4)CC3)cn2)cc1 12589984 RONWQJSGASFTHE-UHFFFAOYSA-N 404.518 3.563 0 50 HHAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)C3CCOCC3)C2)cc1Cl 12709070 SXJXPTWPVVIRDW-OAHLLOKOSA-N 408.926 3.733 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@H]2CC(C(C)C)=NO2)CC1 15075141 GMKNXWXRKGBJSG-OAQYLSRUSA-N 414.546 3.982 0 50 HHAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@H]3CCC(=O)N(C4CCCC4)C3)c2)n1 15076876 BHGPWOUUPPVCGT-FQEVSTJZSA-N 408.546 3.629 0 50 HHAA Cc1cc(C)c2c(N)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2n1 950134 AIGGRXKKSRUQFN-UHFFFAOYSA-N 407.499 3.545 0 50 HHAA Cc1ccccc1CN1CCC([C@]2(CCCc3ccccc3)NC(=O)NC2=O)CC1 20774361 RMYBZXHOWHEDJI-VWLOTQADSA-N 405.542 3.808 0 50 HHAA COc1cc2c(cc1OC)N(C(=O)c1nn(-c3cccc(C(C)C)c3)cc1O)CC2 1875254231 SCIUNMNPSNCDEF-UHFFFAOYSA-N 407.470 3.921 0 50 HHAA CS[C@@H](C(=O)N1CCc2c(Br)cnc(N(C)C)c2C1)c1ccccc1 1875340986 BKNLIFJBGVZOKH-QGZVFWFLSA-N 420.376 3.899 0 50 HHAA CC(=O)c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)c1 2918350 WRBZLYYRUWQTGR-UHFFFAOYSA-N 415.492 3.523 0 50 HHAA COC[C@@]1(C(=O)Nc2ncnc3c2c(C)c(C)n3-c2ccc(Cl)cc2)CCCO1 2325880016 PZTZSBHHUBSXPL-OAQYLSRUSA-N 414.893 3.825 0 50 HHAA CN(C)CCCOc1cccc(NC(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)c1 1456453613 RKHLBXGYSKJWMM-UHFFFAOYSA-N 421.423 3.570 0 50 HHAA CNS(=O)(=O)c1cc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)ccc1C 1309982 YSPZUGUEZMIQRP-UHFFFAOYSA-N 420.494 3.963 0 50 HHAA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCCc2ccccc21 1516055 RKUJCDDPDLSDDI-UHFFFAOYSA-N 402.214 3.952 0 50 HHAA Cc1cc(C(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)c2cc(Cl)ccc2n1 2356140673 ODJWWPSUOVQPOM-QFIPXVFZSA-N 407.905 3.519 0 50 HHAA COc1cc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc(OC)c1OC 6603438 UXWXDMMTQUMVNB-ZSOIEALJSA-N 418.243 3.819 0 50 HHAA CC(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 100736697 DCXCGORUUGMHBZ-FUHIMQAGSA-N 406.404 3.914 0 50 HHAA CN1CCC(N2CCN(Cc3cccc4c3oc3ccccc34)C[C@H]2CCO)CC1 104330018 YWLRCCWAIUOKQH-OAQYLSRUSA-N 407.558 3.549 0 50 HHAA COc1cc(CN2CCN(Cc3c(F)cccc3Cl)C[C@@H]2CCO)cc(OC)c1 23358521 JRNXBEGUNPVNJR-KRWDZBQOSA-N 422.928 3.565 0 50 HHAA O=C(Cn1ncc2ccccc21)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1 39359838 HAZPLLJGAVBQNW-RUZDIDTESA-N 402.542 3.594 0 50 HHAA CCC1=NN(C(=O)c2cccc(C)c2O)[C@@](O)(c2ccc(Br)cc2)C1 799716 LGYOCSHRHBHVNU-IBGZPJMESA-N 403.276 3.920 0 50 HHAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 252517088 ZMAAWEUOIJRTAO-XQTRSNPVSA-N 408.498 3.795 0 50 HHAA CC(C)(C(=O)O)c1ccc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 486301035 SGJCENIQVDQZKE-KRWDZBQOSA-N 400.862 3.694 0 50 HHAA O=C(c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1)N1CCN2CCC[C@@H]2C1 13644670 RAPUXRKISQDNHN-MRXNPFEDSA-N 416.312 3.623 0 50 HHAA O=C([C@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCC([C@@H](O)c2ccccc2)CC1 15001344 WMXYRKTXRKRZNF-YADHBBJMSA-N 412.917 4.000 0 50 HHAA CN(Cc1cscn1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)O 299770288 QWVPQHOAWGMGJK-UHFFFAOYSA-N 412.467 3.634 0 50 HHAA Cc1cccc(N2CCN(C(=O)Nc3ccc(Br)nc3C)[C@H](C)C2)n1 170591609 IXOMRNQRNVNQDF-CYBMUJFWSA-N 404.312 3.599 0 50 HHAA Cc1ccc(N2CC[C@H](NC(=O)C3(c4ccccc4Cl)CCOCC3)C2=O)cc1 303826007 ARZPSJSJCFELDX-FQEVSTJZSA-N 412.917 3.618 0 50 HHAA CC(C)c1nc(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)nn1-c1c(Cl)cccc1Cl 170633176 HWVQDXXQZBFPRG-RYUDHWBXSA-N 409.317 3.825 0 50 HHAA CCCOc1ccc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc1CO 1529152357 KPNRIPGWXHDQJH-YKSBVNFPSA-N 406.526 3.551 0 50 HHAA CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccccc2)c(C(=O)OC)c1C 994700 AJALYJFCQLBQQZ-OUKQBFOZSA-N 400.500 3.977 0 50 HHAA COc1cccc(C[C@@]2(CO)CCCN(Cc3c(OC)cc(OC)cc3OC)C2)c1 11816403 GWAWKBFUYXZIJO-DEOSSOPVSA-N 415.530 3.538 0 50 HHAA COc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c(Cl)c1OC 11818763 PYTQMFQQHOHPOF-UHFFFAOYSA-N 418.925 3.739 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)CCn4cncn4)C3)c2)c1 11841377 TWSUWZNELLMPHD-NRFANRHFSA-N 417.513 3.521 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1ccccc1OC 12073676 BDPJWZBCHYAYKD-UHFFFAOYSA-N 414.521 3.835 0 50 HHAA CCOc1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)ccc1OC 14989766 XULMISHNBDAGMU-UHFFFAOYSA-N 406.530 3.529 0 50 HHAA Cc1ccccc1-c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)c(N(C)C)n1 15069532 PKQPAVMZAZHOOL-QGZVFWFLSA-N 403.482 3.693 0 50 HHAA C[C@@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)N(C)Cc2n[nH]c3c2CCCC3)on1 11789800 ATOJBAULHUNTCQ-AWEZNQCLSA-N 422.485 3.624 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N(CC4CC4)C[C@H]4CCCO4)C3)nc2c1 244811809 SLPUODFLPUMGEM-NHCUHLMSSA-N 422.573 3.881 0 50 HHAA O=C(/C=C/c1ccccc1)NC1CCN(C(=O)c2cc3ccc(F)c(F)c3[nH]2)CC1 1875379016 MDSQPFJICQBLFO-RMKNXTFCSA-N 409.436 3.880 0 50 HHAA O=C(N=c1nc(-c2ccccc2C(F)(F)F)[nH]s1)N[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 1875342017 UGEDZBBIEFQCME-MXWKQRLJSA-N 404.364 3.811 0 50 HHAA COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c2ccccc12 1073033 ZHZYETQLMJHHKH-UHFFFAOYSA-N 410.539 3.976 0 50 HHAA CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 2869202 CGYRYLQUMOSLFO-UHFFFAOYSA-N 421.540 3.524 0 50 HHAA CC(=O)c1ccc(-c2sc(NC(=O)NCCC(=O)NC(C)(C)C)nc2C)cc1 43169747 IUPXLLWDLOWEBR-UHFFFAOYSA-N 402.520 3.747 0 50 HHAA Cn1c(C(=O)N[C@@H](C(=O)O)c2ccccc2F)c(Br)c2ccccc21 2325726069 PNZHZSKIIOLGLL-OAHLLOKOSA-N 405.223 3.636 0 50 HHAA COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 741750 SZJCXWQSJQYYMO-OAQYLSRUSA-N 424.522 3.532 0 50 HHAA Cc1cccnc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C 1142575 OPRZPAVQFPWUCM-UHFFFAOYSA-N 411.531 3.952 0 50 HHAA COc1cccc(C2=NN(C(=O)CCCc3ccccc3)[C@@](O)(C(F)(F)F)C2)c1 1152009 VJEHSGUGRKQYJY-FQEVSTJZSA-N 406.404 3.905 0 50 HHAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(C(=O)O)ccc1C 1156512 GOBUVTKGBKAXIR-UHFFFAOYSA-N 423.288 3.591 0 50 HHAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cn1 1174051 MFCCSLVKAZNNGP-UHFFFAOYSA-N 400.685 3.633 0 50 HHAA O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NC1CCCCCC1 2851842 NCPNVCBMGNSVTI-UHFFFAOYSA-N 414.571 3.937 0 50 HHAA CCc1c(C)sc(NC(=S)NCCc2ccc(OC)c(OC)c2)c1C(=O)OC 2855488 COMKPWOTPKFMMH-UHFFFAOYSA-N 422.572 3.952 0 50 HHAA O=C1N([C@H]2CC[C@H](O)CC2)CCC[C@]12CCCN2Cc1ccc(OC(F)F)cc1 2356170860 HNPFKUIPQNQLDZ-JBYIUTFZSA-N 408.489 3.549 0 50 HHAA Cc1ccccc1N1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@H]21 4269473 PYBHVKNHDKMSIR-DLBZAZTESA-N 410.417 3.626 0 50 HHAA COc1cccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3oc4ccccc4c32)c1 4316104 USNISVMLZADDOV-UHFFFAOYSA-N 402.406 3.608 0 50 HHAA COc1cc(C(=O)N2CCN(c3ccc(Cl)c(C)c3)CC2)cc(OC)c1OC 6715874 YQYKCBQSAYUHHK-UHFFFAOYSA-N 404.894 3.637 0 50 HHAA O=C(Cn1c(=O)cc(C(=O)NCc2ccccc2)c2ccccc21)Nc1ccccc1 12376470 RCNBNDFBTBRBPI-UHFFFAOYSA-N 411.461 3.570 0 50 HHAA biogenic,in-vitro CCc1ccc([C@@H]2CC(c3cc(OC)ccc3OC)=NN2C(=O)CCC(=O)O)cc1 225849644 FFMJKNNWFBBIDB-FQEVSTJZSA-N 410.470 3.809 0 50 HHAA CCN(Cc1nccn1C)C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 63871477 MLBIIQQMJDBBRF-UHFFFAOYSA-N 402.502 3.648 0 50 HHAA COC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(OC)c(OC)c3)nc2c1Cl 22107938 GMKNHHRKWZEBGM-UHFFFAOYSA-N 415.755 3.872 0 50 HHAA O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)N1CCc2ccc(O)cc2C1 426433968 UNNZKAHBMYBRIL-QGZVFWFLSA-N 416.319 3.501 0 50 HHAA C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1N[C@H](C)C[C@H](O)c1ccc(F)cc1 252515764 NFTOQMQICJCJQN-OPTDIUSFSA-N 410.530 3.546 0 50 HHAA Cc1ccc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C(C)C)cc5)C(=O)[C@@H]24)O3)o1 77378533 SMGKCXAPGHOZLS-OUMCCJGNSA-N 420.509 3.656 0 50 HHAA Cc1ccc(S(=O)(=O)c2ccc(CN[C@@](C)(CO)c3cccc(O)c3)cc2)cc1 241383304 MUDAGQMRHGJERK-QHCPKHFHSA-N 411.523 3.531 0 50 HHAA O=C(Nc1ccccc1Cl)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)CC1 239105313 IFFSTGSYOPAFBV-BITRPWKRSA-N 424.928 3.890 0 50 HHAA COC(=O)[C@H](NC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21)c1ccccc1 253369311 AWTTZWCCGXRIMO-IACLWVNRSA-N 423.557 3.505 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cn1 952967208 KDUOOKUCWNANFU-UHFFFAOYSA-N 412.467 3.685 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H](O)c2cccc(F)c2)cc1 109226682 YVPBPQTYBLVUHS-OAQYLSRUSA-N 408.429 3.550 0 50 HHAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc4c5c([nH]c34)CCCC5)C1)CC2 1704344730 XNVMERSOASHSPS-XMMPIXPASA-N 401.514 3.539 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)c(OC)c1OC 5570113 IXZMSEDOTHHNPF-UHFFFAOYSA-N 414.405 3.858 0 50 HHAA CCOCCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12303849 MSOFNUNRJIQRAZ-UHFFFAOYSA-N 410.558 3.929 0 50 HHAA Cc1ccc2nc([C@@H]3CCCN3c3nncc(-c4ccc5c(c4)OCO5)n3)[nH]c2c1 12433585 KJCOKHAWJSCKHN-SFHVURJKSA-N 400.442 3.794 0 50 HHAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(F)cc2)CC1 12443212 FQQSDDHJRBDQDC-UUCGHWEQSA-N 401.570 3.932 0 50 HHAA CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cccc(O)c1)CC2 14746374 WRSYLYOKDJUWMD-UHFFFAOYSA-N 401.551 3.693 0 50 HHAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 16383036 UKEVQIKVGSPCML-CQSZACIVSA-N 424.478 3.552 0 50 HHAA Cc1nnc(SCc2cc(=O)[nH]c(Nc3nc(C)c4cccc(C)c4n3)n2)s1 18266468 XXCQJQZJQSUAHO-UHFFFAOYSA-N 411.516 3.526 0 50 HHAA Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)C(C)(C)c2ccc(Cl)cc2)nn1 1857530614 PLHHYBRKLZOYSA-ROUUACIJSA-N 414.937 3.573 0 50 HHAA O=C(c1cccc2c1NCCC2)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857719216 HCGNDZSLGRVMRO-UPVQGACJSA-N 405.542 3.723 0 50 HHAA O=C(CSc1nncs1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 225551552 WKUFZDKVJKOVHG-GFCCVEGCSA-N 408.307 3.676 0 50 HHAA Fc1cccc(-c2noc([C@]3(C(F)(F)F)CCN(CCOCC(F)F)C3)n2)c1 952895035 XQFWMTNSWXORDO-INIZCTEOSA-N 409.330 3.663 0 50 HHAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1)[C@@H](O)c1c(F)cccc1F 1875262773 PDHXGJMBRHMCGV-DYBLOJMWSA-N 409.795 3.999 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)CC1 1875365265 DWLDASVTAPHQEO-UHFFFAOYSA-N 412.427 3.917 0 50 HHAA CCO[C@@H]1C[C@H]1C(=O)NC1(C(=O)Nc2ccc(Br)cc2)CCCCC1 2325824158 RKJFRKJDXWJVAO-HZPDHXFCSA-N 409.324 3.632 0 50 HHAA CCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 2828740 MCLIZRXEPXMLOY-UHFFFAOYSA-N 415.342 3.711 0 50 HHAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(Br)c1 2849455 ZXDAZBULYOUQEL-UHFFFAOYSA-N 405.292 3.863 0 50 HHAA CCOc1cccc(C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)c1 4986415 MOONLURZHJYBHJ-KRWDZBQOSA-N 407.919 3.568 0 50 HHAA C[C@H](Cc1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1)c1ccccc1 9191008 GLCVXAXHLYVGOL-OAHLLOKOSA-N 424.526 3.968 0 50 HHAA Cc1ccc(CN2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@H]2CCO)cc1 104384300 XOHCTIZHLXLAPZ-JOCHJYFZSA-N 424.976 3.903 0 50 HHAA Cc1noc([C@@H]2CCCN2C(=O)c2cc(-c3cn[nH]c3)nc3ccc(Cl)cc23)n1 20472509 YAULISZWWFGYDD-SFHVURJKSA-N 408.849 3.947 0 50 HHAA COc1ccc(-c2noc(CSc3nnc(C)n3-c3ccc(OC)cc3)n2)cc1 6804365 LQZSHPITKSPDLC-UHFFFAOYSA-N 409.471 3.935 0 50 HHAA biogenic,in-vitro Cn1c(SCC(=O)NC2CCCCCC2)nnc1-c1ccc(Br)o1 17089499 RMVIEYVNFDTXBV-UHFFFAOYSA-N 413.341 3.769 0 50 HHAA Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3c(=O)[nH]cnc32)cc1 20394335 AEXLDMQSYSVJRW-UHFFFAOYSA-N 419.510 3.765 0 50 HHAA O=C(CN1C(=O)CC2(CCCC2)C1=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 253396865 BHOFJDQYSFRTLV-INIZCTEOSA-N 413.905 3.634 0 50 HHAA CC(C)CN1CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C[C@H]1CCO 952966832 GYMAGIGNPYGIIE-JOCHJYFZSA-N 414.521 3.570 0 50 HHAA COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc4c(c3)CCCN4C)sc2n1 170623487 JZPIYRSGMRQCEA-UHFFFAOYSA-N 412.515 3.789 0 50 HHAA Cc1ccc(C)c(N2N=C(C(=O)N(CC(F)F)C[C@@H]3CCC=CO3)CCC2=O)c1 170600572 FHKRLRZQIJOVBO-INIZCTEOSA-N 405.445 3.573 0 50 HHAA O=C(Nc1cccc(N2CCCS2(=O)=O)c1)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 170637510 PSZZGTXPCJSOBC-QZTJIDSGSA-N 405.907 3.558 0 50 HHAA Clc1ccc(-c2nc3sccn3c2CN2CCO[C@@H](Cn3cccn3)C2)cc1 303300801 INIRQVUSWLEIDX-QGZVFWFLSA-N 413.934 3.814 0 50 HHAA COc1cc(CN2CCCN(Cc3cccs3)CC2)cc(Cl)c1OCC(=O)O 1506419726 VYFMWJCYDMIADZ-UHFFFAOYSA-N 424.950 3.581 0 50 HHAA CCn1nc(C)cc1C(=O)N1CCC[C@@H](CNC(=O)c2cccc3ccccc23)C1 11661065 MZLOIXFMCWMLBL-SFHVURJKSA-N 404.514 3.647 0 50 HHAA CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCN(Cc1cc[nH]n1)CC2 11784661 LGUOOFZSTFYPAR-RTWAWAEBSA-N 422.554 3.505 0 50 HHAA COc1ncccc1C(=O)NC[C@@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 11978806 KGRURJXPIYSBQI-SFHVURJKSA-N 402.450 3.693 0 50 HHAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)C2)cc1C 12317980 FPFYCEUQKHOWFE-OAQYLSRUSA-N 406.530 3.858 0 50 HHAA Cc1ccc(N2C(=O)C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1Cl 19782471 YUAQEIFALPIACG-QNBZTBGESA-N 423.944 3.611 0 50 HHAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 1166968 CVDYFIAXWFUOFN-IBGZPJMESA-N 408.483 3.792 0 50 HHAA Cc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 1051787 IJARUQSMIBNICS-MRXNPFEDSA-N 406.866 3.791 0 50 HHAA Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)NCc3cccnc3)cc12 1150121 ORBPYQGSKLECKP-UHFFFAOYSA-N 407.524 3.595 0 50 HHAA O=C(NCCCc1ccccc1)c1cccc(C(=O)NCCCc2ccccc2)n1 2819666 WPNMNWLEKNJAHX-UHFFFAOYSA-N 401.510 3.807 0 50 HHAA Cc1csc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2CC(C)C)n1 9304472 WYWGKIPSLDGCQH-CYBMUJFWSA-N 402.549 3.880 0 50 HHAA O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697970 UNAYEGCNTCDLPF-UHFFFAOYSA-N 409.881 3.623 0 50 HHAA C[C@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)N(C)Cc2n[nH]c3c2CCCC3)on1 11789801 ATOJBAULHUNTCQ-CQSZACIVSA-N 422.485 3.624 0 50 HHAA COc1cccc(C(=O)NC[C@H]2Cc3cccc(-c4nc(C)cnc4C)c3O2)c1OC 11968875 WTJLVUYSMPRQQY-QGZVFWFLSA-N 419.481 3.511 0 50 HHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2n[nH]c3ccccc23)C1 12304858 MQYKODBZYVZRAK-DEOSSOPVSA-N 421.497 3.818 0 50 HHAA FC(F)(F)c1ccc(N2CCC[C@H](NC3CCN(Cc4ccco4)CC3)C2)nc1 12597162 QKAUJUXFINJHOI-SFHVURJKSA-N 408.468 3.916 0 50 HHAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](N(C)Cc1ccsc1)CC2 14748314 LXDNIZHUYXJBMU-LJQANCHMSA-N 408.571 3.743 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 14956364 YSVJWOWDPPFSQZ-HSZRJFAPSA-N 410.470 3.835 0 50 HHAA CSCCCN1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 14973714 MXQPSDCXGZONNX-UHFFFAOYSA-N 402.564 3.681 0 50 HHAA CN(Cc1cccc2ncccc12)C(=O)CC[C@@]1(Cc2ccccc2)CCC(=O)N1 14994351 JWFWVXVEOMVUJN-RUZDIDTESA-N 401.510 3.865 0 50 HHAA CCN[C@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 15073072 BPHQHWQMNGESCW-AWEZNQCLSA-N 407.461 3.992 0 50 HHAA CCOc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1Cl 19361932 WSHGPVUMULZJFU-UHFFFAOYSA-N 404.938 3.740 0 50 HHAA Clc1cccc(N2CCN([C@H]3CCCN(C4CSCCSC4)C3)CC2)c1 19744873 QUWFDOYOAFRWSE-IBGZPJMESA-N 412.068 3.775 0 50 HHAA COc1cc(OC)cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)c1 20536769 XOEAGYSESQZROO-JTJYXVOQSA-N 422.525 3.650 0 50 HHAA OC[C@]1(O)CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 72434397 JJDSZQQAZDKSEI-DEOSSOPVSA-N 408.929 3.973 0 50 HHAA c1ccc(CCCN2C[C@@H]3CC[C@H](C2)N(Cc2nnc(-c4cccnc4)o2)C3)cc1 95520022 MZTZIQPXKMTJTI-RBBKRZOGSA-N 403.530 3.661 0 50 HHAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2C[C@H]2C[C@H]3C=C[C@H]2C32CC2)cc1 104327040 YDIWGKPSKBPQID-GXRSIYKFSA-N 408.542 3.546 0 50 HHAA CCOc1ccc(CN2CCN(Cc3ccc(SC)cc3)C[C@H]2CCO)cc1 104334854 BTFJEQVQNXNDFY-OAQYLSRUSA-N 400.588 3.876 0 50 HHAA COc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCCN2C3=O)cc1OC 169766117 YIGJARRBTSYGFW-OAQYLSRUSA-N 409.486 3.748 0 50 HHAA O=C(Cc1ccc(Br)cc1O)NCc1ccnc(OC2CCCC2)c1 170602743 DOCYWVWIFMOMNW-UHFFFAOYSA-N 405.292 3.730 0 50 HHAA Cn1cc(-c2ncc(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)s2)cn1 170625817 CPEXBUSUKJGGAG-UHFFFAOYSA-N 416.934 3.675 0 50 HHAA Cn1ccnc1Sc1ccccc1NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 170625843 HWFIRFPHYSHCJF-KRWDZBQOSA-N 414.437 3.981 0 50 HHAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc2c(c1)oc1ccccc12 239173765 OPVIIPNZEKVHJG-IVORCOPGSA-N 412.445 3.578 0 50 HHAA C[C@H](OC(=O)c1c2c(nc3ccccc13)CCN(C)C2)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 239309557 HRVHXBQIXOYFAS-PFRQMTDMSA-N 423.557 3.709 0 50 HHAA CC(C)Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc2n1 253403351 HCIYIJPCZNRXGC-MSOLQXFVSA-N 401.510 3.855 0 50 HHAA biogenic Cc1cc(=O)c(C(=O)O)c2n1-c1ccccc1S[C@H](c1ccc3c(c1)OCO3)C2 299755643 GJZAXDKJZNSOLF-FQEVSTJZSA-N 407.447 3.962 0 50 HHAA COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)cc1 390827945 MIOSFPFSZMLAKQ-DVKRWUGUSA-N 409.574 3.842 0 50 HHAA Cc1nn2c(NC(=O)CCc3ccc(-c4ccc(Cl)cc4)[nH]3)csc2nc1=O 1506400581 VURIJSZPMSQCIK-UHFFFAOYSA-N 413.890 3.679 0 50 HHAA O=C(CCOc1ccccc1)NC[C@@H]1CCC[C@H](NC(=O)CCC(F)(F)F)C1 1857681203 CBNPNPRIDCXUON-CVEARBPZSA-N 400.441 3.589 0 50 HHAA CC(C)N=c1[nH]c(-c2cccnc2)nc2c1CC[C@@]21CCCN(Cc2cnsc2)C1 1875244230 FQQIKTMEWKXWFK-HSZRJFAPSA-N 420.586 3.717 0 50 HHAA Cc1ccc2nn[nH]c2c1NS(=O)(=O)c1oc2ccccc2c1Br 1875335830 IUSTUWUZLPYCQV-UHFFFAOYSA-N 407.249 3.576 0 50 HHAA COCCn1cc(-c2nc(-c3ccc(C)cc3)nn2-c2cccc(F)c2)ccc1=O 1875348556 VJLKUAATXILHNQ-UHFFFAOYSA-N 404.445 3.857 0 50 HHAA CN(Cc1ccc(NC(=O)c2nc(C3CC3)ncc2Br)cc1)C1CC1 2325868554 AWIGVZFTWONWTJ-UHFFFAOYSA-N 401.308 3.963 0 50 HHAA Cc1ccc(-c2cc(CN3CC[C@@H](O)[C@](Cc4ccccc4)(C(=O)O)C3)on2)cc1 2356144826 NPYMBLXALWKPGX-ISKFKSNPSA-N 406.482 3.530 0 50 HHAA Cn1cnnc1S[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1 921820 FGWXANCJYIKIKW-PMACEKPBSA-N 422.535 3.835 0 50 HHAA CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2OC)sc2c1CCCC2 1170130 BMSNKWXTEVVHSB-UHFFFAOYSA-N 418.540 3.939 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccnc1 1417366 GJSXLQZCVMSQQB-UHFFFAOYSA-N 418.320 3.853 0 50 HHAA Cc1nn(C(F)F)c(C)c1S(=O)(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 2804896 KBGZXMIONMIHDM-UHFFFAOYSA-N 415.853 3.594 0 50 HHAA Cc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)cc2)cc1 4512332 CUTVFQBBMABSOB-HLGJXAIUSA-N 419.477 3.781 0 50 HHAA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 4742240 OFZDBNJFOPNPTC-LJQANCHMSA-N 422.572 3.582 0 50 HHAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ocnc2C)CC1 12030603 QZDGNTTUDNKKMO-JOCHJYFZSA-N 411.546 3.825 0 50 HHAA Cc1nc(CN(C)Cc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)cs1 12090859 QOMFGLIOHUMGQS-NRFANRHFSA-N 403.592 3.699 0 50 HHAA Cc1cc(C(=O)N(CC2CCN(Cc3ccccc3C)CC2)C[C@H]2CCCO2)n(C)n1 12300378 XGXGZXMWRAAVEI-HSZRJFAPSA-N 424.589 3.570 0 50 HHAA COc1cccc(OC[C@@H](O)CNC(=O)c2oc3c(Cl)cc(C)cc3c2C)c1 14950308 COVTVZHQSQAPCS-AWEZNQCLSA-N 403.862 3.881 0 50 HHAA C[C@H](Cn1ccc2ccccc21)NC1CCN(c2ccc(C(=O)N(C)C)cc2)CC1 15001299 WTKCBSNYNOGSAI-LJQANCHMSA-N 404.558 3.990 0 50 HHAA Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=S)NCCc1ccccc1 17083067 MNHUGPDTNIVDIL-UHFFFAOYSA-N 404.889 3.961 0 50 HHAA COc1cc(Br)c([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC 19731574 UPDZXQZVUVQEOV-LJQANCHMSA-N 408.292 3.719 0 50 HHAA in-vitro C[C@H]1CC[C@@H](C)N1C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 67868636 ZXMPYKDLETUUCD-FMNOIEFDSA-N 408.546 3.519 0 50 HHAA CCCC1(CNC(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CCC1 82097450 CQHFJSHXNVEJPR-JOCHJYFZSA-N 412.622 3.845 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)c(OC)c1 100839251 NPGUXZQIKULGPZ-QZTJIDSGSA-N 408.454 3.636 0 50 HHAA CCN(C[C@@H]1CCCO1)C(=O)CN1Cc2ccccc2O[C@@H](c2ccccc2OC)C1 104294040 ULUAOAVCPODDNL-GBXCKJPGSA-N 424.541 3.658 0 50 HHAA CCN(CCC(=O)O)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 237030140 NVJNZKLNJDWLNQ-SFHVURJKSA-N 402.878 3.524 0 50 HHAA CC(C)Cn1c(=O)nc(O)c2c(C(=O)N3CC4(CCC4)[C@@H]3C3CC3)cc(C(C)C)nc21 460979698 MRVQSLBGRRXNFP-IBGZPJMESA-N 424.545 3.681 0 50 HHAA COC(CNC(=O)Nc1ccc(-n2ncc3ccccc32)cc1)(OC)c1ccccn1 1310492190 QCOCHYZBSJNPHK-UHFFFAOYSA-N 417.469 3.688 0 50 HHAA Cc1cn2cccc(C(=O)N3CCC[C@@]4(CCc5c(O)nc(C(C)(C)C)nc54)C3)c2n1 1857714359 ZPWDYPCSJXQPQO-XMMPIXPASA-N 419.529 3.556 0 50 HHAA COc1c(C(=O)O)cc(-c2ccc(OCCN3CCCC3)cc2)c(OC)c1OC 1875250715 AMESHRIQEAMURC-UHFFFAOYSA-N 401.459 3.552 0 50 HHAA C[C@@H](O)c1cnc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)s1 1875260726 ZLERHOWTDGXGBA-VXGBXAGGSA-N 411.453 3.638 0 50 HHAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Oc2ccccc2)cc1 645891 CFGJKOFFZRAAPH-UHFFFAOYSA-N 422.462 3.652 0 50 HHAA CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)c2ccccc2)n1C 1074743 YYGLFPQFNUNDPH-LJQANCHMSA-N 408.527 3.917 0 50 HHAA C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 2993091 WFCGXDBQBSVWJL-MRXNPFEDSA-N 400.434 3.889 0 50 HHAA Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 3802871 WIYUZYBFCWCCQJ-IFKAHUTRSA-N 414.505 3.573 0 50 HHAA biogenic,investigational Cc1ccn(CC(=O)N2CCC(n3c(C)nc4cc(C(F)(F)F)ccc43)CC2)n1 11787152 YEIMCJRTJGMJOB-UHFFFAOYSA-N 405.424 3.732 0 50 HHAA Cc1cc2nc(N3CCC(NCCSc4nccn4C)CC3)nc(C)c2cc1C 11912013 DWLKWCVHUQILGQ-UHFFFAOYSA-N 410.591 3.639 0 50 HHAA O=C1CCN(Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1cccnc1 12159106 IANPBBQXRLKIEZ-UHFFFAOYSA-N 401.510 3.895 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NCCC2=CCCCC2)c1=O 12191114 KXRKBILFUFBLAQ-UHFFFAOYSA-N 401.551 3.778 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3C(=O)c2ccccc2C(F)(F)F)cc1Cl 12218028 CASMDPMDTSORKH-LRDDRELGSA-N 424.806 3.997 0 50 HHAA Cc1ccccc1-c1cccc(CN2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)c1 12218227 HBVUZHMHUYODBU-UHFFFAOYSA-N 415.541 3.983 0 50 HHAA COc1ccc(CNCc2ccccc2Cl)cc1OC[C@@H](O)CN(C)C(C)C 12224763 BGTPLRYIDYHLEI-IBGZPJMESA-N 406.954 3.718 0 50 HHAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 12446509 WHTMGJUVXFJUEF-QGZVFWFLSA-N 400.486 3.599 0 50 HHAA Cc1nc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cs1 12752562 NEMFKXVKFNXNFG-CQSZACIVSA-N 407.486 3.679 0 50 HHAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCCc1cccs1)C2 14531168 XAVRYPQQOAKXTE-QGZVFWFLSA-N 400.592 3.526 0 50 HHAA CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN(C)Cc1ccon1 14882199 HFHYJORMPMRMKT-UHFFFAOYSA-N 423.498 3.793 0 50 HHAA O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1F 14959103 RSLFTPMNDYTWIQ-QGZVFWFLSA-N 418.896 3.921 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCC[C@@H](C(=O)c4ccccc4)C3)n2)cc1 14967833 ITISQBALVZYDNB-LJQANCHMSA-N 405.454 3.618 0 50 HHAA COC(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 14976388 NESXOLZCKDGGOM-UHFFFAOYSA-N 405.498 3.933 0 50 HHAA CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CCN(C1CCSCC1)CC2 14991735 WNNBTLJTGHVJJH-YADHBBJMSA-N 402.604 3.902 0 50 HHAA CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)n[nH]1 15065837 BATPMYKPJUZJPZ-SFHVURJKSA-N 400.542 3.774 0 50 HHAA COc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cc1Br 19558939 MHOUVTFTVVVQSH-UHFFFAOYSA-N 407.283 3.555 0 50 HHAA CCOc1cccc(-c2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)c1 19792341 MKLJNNKCOQLIQG-UHFFFAOYSA-N 419.525 3.753 0 50 HHAA O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1 20352070 DFAKYWYHJUOCTF-UHFFFAOYSA-N 418.522 3.853 0 50 HHAA aggregator FC(F)(F)c1cccc(N2CCN([C@@H]3CCCN(CCCn4cccn4)C3)CC2)c1 20542365 JWLKDDYQFIWICX-OAQYLSRUSA-N 421.511 3.579 0 50 HHAA CSCCC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55037120 AKFQZPKAIISOFW-GOSISDBHSA-N 415.525 3.572 0 50 HHAA Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCN(c3cnccn3)CC2)o1 55153744 WCRBIWRQULVTRX-UHFFFAOYSA-N 418.476 3.692 0 50 HHAA O=C(NC1CCCCCCC1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82136770 WQDZPJLPSBTMJQ-QFIPXVFZSA-N 412.622 3.987 0 50 HHAA CCOc1ccc(CN2CCN(Cc3cccc4cccnc34)C[C@H]2CCO)cc1 104404689 DYZUQNYFBBZWBS-HSZRJFAPSA-N 405.542 3.702 0 50 HHAA COc1ccc(Cn2c(-c3ccc(Cl)cc3)nc(C)c(CCO)c2=O)cc1F 169754386 QSBQCZLVVYAUEM-UHFFFAOYSA-N 402.853 3.603 0 50 HHAA CCOC(=O)[C@@H](NC(=O)c1ccnc(SC)c1)c1c(C)nn(-c2ccccc2)c1C 170591601 MBULYFCAKVUYMP-FQEVSTJZSA-N 424.526 3.640 0 50 HHAA Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@@](C)(O)C2CCCCC2)cc1 170611513 OQNHJGBSKDYZHT-RUZDIDTESA-N 419.525 3.755 0 50 HHAA CC(C)(C)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)nn1 170630889 ZUYRCPGUMGBSSZ-AWEZNQCLSA-N 404.923 3.581 0 50 HHAA Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 229631533 QBVKBHYCCRSXQX-BRWVUGGUSA-N 402.970 3.989 0 50 HHAA COc1cccc(-c2cc3n(n2)[C@@H](NCc2ccccc2C(F)(F)F)CNC3=O)c1 263619474 YUVGEEHCQKRPFI-LJQANCHMSA-N 416.403 3.609 0 50 HHAA COC[C@H](NC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)c1ccc(C)o1 472824892 MZERFVYPKHYACW-HNNXBMFYSA-N 413.305 3.509 0 50 HHAA COCC(=O)Nc1ccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)cc1 776794857 OSTFTYDCBAVZFO-UHFFFAOYSA-N 412.486 3.739 0 50 HHAA COc1ccccc1-n1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cn1 824835137 LLMYXWRPLFYFQS-LJQANCHMSA-N 405.433 3.874 0 50 HHAA N[C@H]1CC[C@H](CCNC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)C1 952894028 PDJYDZDHUDBAMU-UZLBHIALSA-N 411.525 3.689 0 50 HHAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cc(Cl)ccc2NC)CC1 1506405927 CYKAXTPHIADNTD-UHFFFAOYSA-N 400.954 3.946 0 50 HHAA Cc1cc(=O)c(O)c(C2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCSCC2)o1 1776111719 MZCZWALTWGYUGW-UHFFFAOYSA-N 417.571 3.750 0 50 HHAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(N)=O)C1 995195 DMDAJNDYSBHISG-LBPRGKRZSA-N 400.500 3.979 0 50 HHAA CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 1440906 JHSOSBOUGRYMPS-OAQYLSRUSA-N 410.470 3.807 0 50 HHAA Cc1ccccc1Cn1cc(NS(=O)(=O)c2ccc(Br)s2)cn1 2780387 IYTRMQNTRZKLHE-UHFFFAOYSA-N 412.334 3.865 0 50 HHAA O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCC(Cc2ccccc2)CC1 4276230 QCUWUEFWHSNGSI-UHFFFAOYSA-N 412.489 3.917 0 50 HHAA O=C(NCCCn1ccnc1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 6445947 GIVOPYHHSKYZIU-DZGCQCFKSA-N 424.452 3.622 0 50 HHAA COc1cccc(CC2=NO[C@H](C(=O)N[C@H](c3ccncc3)c3ccccc3C)C2)c1 11881098 XIRBENFLBKLULF-BJKOFHAPSA-N 415.493 3.992 0 50 HHAA O=C(NCc1c(F)cccc1F)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12058486 WIEIKUYEKPHUAO-OAHLLOKOSA-N 406.860 3.716 0 50 HHAA COc1cccc(CC(=O)NCc2nc(N3CCCC3)c3cc(Cl)ccc3n2)c1 12209695 JBWQTTIXYUXLPL-UHFFFAOYSA-N 410.905 3.751 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1sc(C)nc1C 12228674 AAOVAHFUDMSCQA-UHFFFAOYSA-N 419.566 3.900 0 50 HHAA Cc1ccn2c(CN[C@H](C)c3cn(C)nc3C)c(C(=O)N3CCCCCC3)nc2c1 12316340 VGONXDGCNFVQQS-QGZVFWFLSA-N 408.550 3.552 0 50 HHAA CC(=O)c1ccc(OCC(=O)N(CCc2ccccc2)C[C@H]2CCCN(C)C2)cc1 12711026 PWYHYTIAALABGN-QFIPXVFZSA-N 408.542 3.681 0 50 HHAA O=C1C[C@H](/C=C/c2ccccc2)Cc2nc(N3CCN(c4ccccn4)CC3)ncc21 18223132 VRIPVTBAAHOYBI-SQUSKLHYSA-N 411.509 3.657 0 50 HHAA O=C(c1c[nH]c2ccccc12)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 19146972 QZKCIDSHXXKUOZ-SFHVURJKSA-N 406.505 3.734 0 50 HHAA CC(C)S(=O)(=O)c1ncc(CN2CCc3ccccc3C2)n1CCc1ccccc1 20255045 FIVFKOPOOLLXFU-UHFFFAOYSA-N 423.582 3.866 0 50 HHAA Cc1cnn(Cc2cccc(F)c2)c1NC(=O)[C@H]1CCCN1C(=O)C1CCCCC1 55255631 DNFWCTOZBLKPFG-HXUWFJFHSA-N 412.509 3.889 0 50 HHAA COc1ccc(NC(=O)NCCN2CCN(c3ccc(C)cc3)CC2)c(Cl)c1 55554980 BSDOUICROFSMKJ-UHFFFAOYSA-N 402.926 3.601 0 50 HHAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc(F)c(Cl)c2)n1 72119398 MXBSWYRQUCOOGR-UHFFFAOYSA-N 406.893 3.801 0 50 HHAA CCOc1ccc(-c2nc(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(C)o2)cc1 101963088 OSXRVAVYAKYVCC-HKUYNNGSSA-N 405.498 3.830 0 50 HHAA COc1ccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)cc1 169780283 KSFPSJJAVWZKRY-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1cnn(-c2ccccc2F)c1 225446811 XNPQVNRWKOWRTL-JTHBVZDNSA-N 411.452 3.654 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4cc(C)ccc4C)ccn3n2)cc1 263618473 TZAYZNHHKDRXPG-HSZRJFAPSA-N 403.482 3.912 0 50 HHAA CCc1noc(-c2ccc(C)c(NC(=O)c3nnn(Cc4ccc(F)cc4)c3C)c2)n1 469554183 MCKOABHRZJVORK-UHFFFAOYSA-N 420.448 3.947 0 50 HHAA Cc1nn2cc(S(=O)(=O)Nc3ccc(OC(F)F)c(Cl)c3)cnc2c1Cl 499156222 HIWSOFKUOGZCBR-UHFFFAOYSA-N 423.228 3.747 0 50 HHAA Cc1nc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)cs1 670448120 NIXLSKPNULFFTO-UHFFFAOYSA-N 422.479 3.709 0 50 HHAA Cc1ccc(SC2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccncc4)C3)CC2)cc1 825181570 KXUWUTOTGXSACN-IBGZPJMESA-N 409.555 3.522 0 50 HHAA N[C@H](Cc1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1)C(=O)O 958527782 AYTGPMFETMCTTC-HSZRJFAPSA-N 416.477 3.680 0 50 HHAA O=C1C[C@@H](NC2CCN(c3ccc(F)c(F)c3)CC2)CN1c1ccccc1Cl 1506400149 ANDSEZKTLXNWJG-OAHLLOKOSA-N 405.876 3.982 0 50 HHAA O=C(CCc1nc(-c2ccco2)no1)N1CCCN(c2nc3ccccc3s2)CC1 1506408608 NXTKNAJVCCBFKZ-UHFFFAOYSA-N 423.498 3.611 0 50 HHAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCN(C2CCCC2)CC1 1704278182 CHMCHGKLSQWSGA-HYBUGGRVSA-N 407.558 3.563 0 50 HHAA O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857720947 RONWOJPVKFRJKV-FUHIMQAGSA-N 405.325 3.867 0 50 HHAA CC(C)c1cccc(C(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)c1 1857723688 QRULFRLMWKKVJZ-GOTSBHOMSA-N 410.562 3.612 0 50 HHAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCCCc1ncc[nH]1 1857739618 XRSRVDYSCOXOEW-AWEZNQCLSA-N 401.898 3.560 0 50 HHAA Cc1ccccc1[C@H](CC(=O)N[C@@H]1C[C@H]1Cc1ccc(C(F)(F)F)cc1)NC(N)=O 1875261672 DDGWOYFXHOUQSW-LZQZEXGQSA-N 419.447 3.861 0 50 HHAA O=C(O)c1cccc(C(=O)Nc2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)c1 2325709952 JUHIIIQFSZXYQZ-UHFFFAOYSA-N 404.378 3.618 0 50 HHAA C[C@@H](NC(=O)c1ccc2nnc(-c3cccn3C)n2c1)c1nc2c(s1)CCCC2 2356134795 COQZCWVWVQKQAG-CYBMUJFWSA-N 406.515 3.561 0 50 HHAA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Br)NC(=O)N1 755231 YNLIPMRVMYIDHM-QGZVFWFLSA-N 401.260 3.820 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(Br)c2)cc1 845637 YLKLXLNLCKGINA-KRWDZBQOSA-N 416.275 3.724 0 50 HHAA COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 943691 CVPMBPDJXSOYSY-UHFFFAOYSA-N 422.506 3.628 0 50 HHAA COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Cc2ccncc2)cc1 1112431 ZGKVKBJXQJBHSN-UHFFFAOYSA-N 407.495 3.816 0 50 HHAA COc1ccc(CCNC(=O)COc2ccc(Br)cc2C)cc1OC 1159489 HCUUQXBQPHOHIK-UHFFFAOYSA-N 408.292 3.512 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1cccc(OC)c1 1172942 PKVQOYDDUDODSA-FQEVSTJZSA-N 408.479 3.656 0 50 HHAA COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)c1 1425537 QHAJZXMULOVSBN-HXUWFJFHSA-N 411.527 3.752 0 50 HHAA COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 4145304 HHYPORIGQTYRPD-VRXKTSEUSA-N 414.527 3.768 0 50 HHAA Cc1ccccc1C(=O)Oc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1 4551825 QCJKDAYRXHHCEL-UHFFFAOYSA-N 418.453 3.869 0 50 HHAA CC(C)OCCCN[C@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c23)C1 11787731 ICWCEZPPSSNQKF-SFHVURJKSA-N 411.571 3.768 0 50 HHAA COc1cccc(CN2CCN(Cc3cccn3-c3ccc(Cl)cn3)CCC2=O)c1 12133121 BIQWLZKXMSYIOJ-UHFFFAOYSA-N 424.932 3.769 0 50 HHAA CCn1ccnc1CN1CCC[C@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 12208416 MQUUWJRPYBOREI-SFHVURJKSA-N 405.502 3.941 0 50 HHAA CCOc1ccc(CN2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1CO 12439614 SFOWJLJQRVAIDN-GOSISDBHSA-N 401.478 3.820 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 12586391 SLMKBZQQAFWJQO-VWLOTQADSA-N 421.541 3.604 0 50 HHAA COc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 12843319 MKTLNHFUNFIDGK-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)s1 14970992 FUNVPQZLTJKWPB-UHFFFAOYSA-N 420.600 3.896 0 50 HHAA O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)[C@H]2CCCO2)CC1 15074280 RWOBQSGNNUCBKY-QGZVFWFLSA-N 417.897 3.523 0 50 HHAA O=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1 16115008 GTLCBWDHKXYFHP-UHFFFAOYSA-N 423.281 3.837 0 50 HHAA CCCn1ncc(CN(CCOC)C[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1C 23339005 KNEUWWJXHVRGKI-QFIPXVFZSA-N 424.633 3.929 0 50 HHAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)CC1 55037205 VWJJGOLTXOHWRE-FQEVSTJZSA-N 412.509 3.653 0 50 HHAA CC(C)(C)c1noc(CCC(=O)N[C@@H]2CCOc3c(Br)cccc32)n1 225709672 QYHGQYNYDJYRKG-CYBMUJFWSA-N 408.296 3.702 0 50 HHAA CCOC(=O)c1cccc(S(=O)(=O)N(C)[C@]2(c3ccccc3)CCCCC2=O)c1 225831219 LDYXPJOFYKOPIO-QFIPXVFZSA-N 415.511 3.522 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)N[C@@H](C)c4ncc(C)[nH]4)csc3C2)nc1 426489493 FLLZBOLWENOTEU-HNNXBMFYSA-N 409.559 3.786 0 50 HHAA CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 429270623 XWLBEPKQZFSQCT-LEWJYISDSA-N 411.502 3.609 0 50 HHAA CN(CC1(O)CCOCC1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 444529480 VEQDHXSHOYXLIU-UHFFFAOYSA-N 411.285 3.794 0 50 HHAA CCC[C@H](C)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)n[nH]1 471500792 OMLWZMZDHAKZKQ-JTQLQIEISA-N 419.425 3.920 0 50 HHAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1ccc2c(c1)CCCO2 1857694751 WBRXYEKZXLJVCN-RZUBCFFCSA-N 412.917 3.609 0 50 HHAA Cc1c(C(=O)Oc2ccc(Cl)cc2Br)sc2ncn(C)c(=O)c12 1875252643 ZBCWXYZGZOPTAL-UHFFFAOYSA-N 413.680 3.939 0 50 HHAA O=C(c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F)N1CCCC[C@@H](C2CCOCC2)C1 1875333830 MWJSYZBYSKPXOK-QRQLOZEOSA-N 422.520 3.952 0 50 HHAA O=C(c1cccc(CN=c2ccnc[nH]2)c1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822091 CMTRLGMKFIUOFR-UHFFFAOYSA-N 422.916 3.848 0 50 HHAA COC(=O)[C@H](Cc1ccoc1)NC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 2325826419 AQJBAMGUWCOGTI-IBGZPJMESA-N 423.856 3.990 0 50 HHAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1C 631276 XTACMHCGIJAXOA-UHFFFAOYSA-N 405.863 3.998 0 50 HHAA COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 1125343 QXDGWPKRSKUUMM-UHFFFAOYSA-N 404.422 3.743 0 50 HHAA Cc1cc(Br)ccc1OCC(=O)N1CCN(c2ccccc2F)CC1 1159971 RRZAPBVHUMKWDW-UHFFFAOYSA-N 407.283 3.624 0 50 HHAA COC(=O)c1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(C(=O)OC)c1 1187140 LHYYNXXFQXNDAT-UHFFFAOYSA-N 405.834 3.548 0 50 HHAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1C 3135952 WPDDYJJRVHQOQS-UHFFFAOYSA-N 405.863 3.998 0 50 HHAA CC(=O)N1CCN(c2ccccc2NC(=O)CSc2ccc(Cl)cc2)CC1 4933409 DLMPUKFNSMRZFC-UHFFFAOYSA-N 403.935 3.739 0 50 HHAA Cc1nnc(CNC(=O)c2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)[nH]1 11662783 CMLFOQHXZZXRPX-UHFFFAOYSA-N 401.348 3.870 0 50 HHAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 12049474 WFEZDFHCYGGJTF-HXUWFJFHSA-N 420.488 3.986 0 50 HHAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2n[nH]c3ccccc23)C1 12304856 MQYKODBZYVZRAK-XMMPIXPASA-N 421.497 3.818 0 50 HHAA COc1cc(C(=O)N[C@@H](C)Cn2ccc3ccccc32)ccc1OC1CCN(C)CC1 12442533 JPYIFXKJMQGGMT-SFHVURJKSA-N 421.541 3.941 0 50 HHAA COc1ccccc1-n1cc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3C)C2)cn1 12583141 HBVUCDMMUCCJSY-RUZDIDTESA-N 419.525 3.647 0 50 HHAA COc1ccc(C2(C(=O)NCc3nnc(SCC(C)C)n3C)CCCC2)cc1 14991662 QEWURDFGAUEETK-UHFFFAOYSA-N 402.564 3.700 0 50 HHAA COc1cc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc(OC)c1OC 19549548 UQAVJMZDEQXKLV-UHFFFAOYSA-N 420.509 3.824 0 50 HHAA Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1c(C(=O)O)cnn1C 20602671 HIROTBZAWLCVQK-UHFFFAOYSA-N 422.272 3.539 0 50 HHAA O=C(CSC(=S)N1CCSCC1)NC1c2ccccc2-c2ccccc21 45068082 SJVCGFMHUQQDEO-UHFFFAOYSA-N 400.594 3.940 0 50 HHAA COc1cccc(CN2CCC[C@]3(CCN(c4nc5ccccc5o4)C3)C2=O)c1OC 72168047 WOXSJQSGRMQYHP-XMMPIXPASA-N 421.497 3.864 0 50 HHAA CCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)[nH]1 95530513 NUBQSFZRTLQNMY-HNNXBMFYSA-N 403.473 3.804 0 50 HHAA O=C(c1cc(NCc2ccc(-c3cccc(F)c3F)o2)ccn1)N1CCC(O)CC1 225640832 KEQACOHIZDKHBV-UHFFFAOYSA-N 413.424 3.829 0 50 HHAA CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 229906941 HFSUCFZKYLYZFV-ZOCIIQOWSA-N 402.926 3.850 0 50 HHAA CCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@@H]2C1=O 252430684 DGGHMAFBVJJZQE-MLCQCVOFSA-N 414.505 3.945 0 50 HHAA CN(c1ncnc2ccc(S(C)(=O)=O)cc12)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 253427311 PZPBEMPBKLRILC-WOJBJXKFSA-N 411.527 3.716 0 50 HHAA Cc1ccc(-c2cccc(CNC(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)c2)cc1 468229417 KNDJNZAXFDYBCI-RUZDIDTESA-N 413.477 3.647 0 50 HHAA CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2ccc3c(c2)CCC(=O)N3C)cn1 792187957 NGBZUXJWLPAQJV-XMMPIXPASA-N 418.541 3.548 0 50 HHAA CC(C)CN1C[C@@H]2CN(CCCC(=O)c3ccc(C(C)(C)C)cc3)C[C@]2(CO)C1 1772819018 DRVWOHZHEYOXLS-WIOPSUGQSA-N 400.607 3.829 0 50 HHAA COc1ccc(C(=O)[C@@H](NCCCNc2ccccc2)c2oc(C)cc(=O)c2O)cc1 1776111493 BNDXXJAEOWGZNA-OAQYLSRUSA-N 422.481 3.678 0 50 HHAA CN1CC[C@]2(C(=O)NCCc3cccc(F)c3)CCCN(Cc3cccs3)[C@H]2C1 1857685140 PIKRXKILJIKHIS-JTHBVZDNSA-N 415.578 3.532 0 50 HHAA C[C@H](Nc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1ccc(N2CCCC2=O)cc1 1875257619 YOYJXBQGEAWVBW-GHTZIAJQSA-N 420.557 3.684 0 50 HHAA O=C(O)c1ccc(S(=O)(=O)NCc2ccc(OCc3ccccc3)cc2)c(F)c1 1875265523 VIVSWOJRVZXDCO-UHFFFAOYSA-N 415.442 3.581 0 50 HHAA CN(C)Cc1ccc(-c2noc([C@]3(C(F)(F)F)CCN(c4ccccn4)C3)n2)cc1 2325762736 PERKYQVTHCZSDU-FQEVSTJZSA-N 417.435 3.904 0 50 HHAA CN(CC1CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 2325793774 HLVXAOCHUTZKBY-NCYKPQTJSA-N 404.595 3.857 0 50 HHAA Cc1nn(C)c(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1C 2356144402 WCKFALRILQJALW-DEOSSOPVSA-N 401.514 3.614 0 50 HHAA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3cc(=O)n4cc(C)sc4n3)C2=O)cc1 2356169866 KCAQREWXVDTCAK-QHCPKHFHSA-N 422.554 3.534 0 50 HHAA Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1 671116 JJXGGZAGNRYKHF-UHFFFAOYSA-N 422.506 3.764 0 50 HHAA CC(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 677007 LOTTVKOYMOGSRH-UHFFFAOYSA-N 402.516 3.612 0 50 HHAA COc1cc(CN2CCC[C@]23CCCN(C)C3=O)ccc1OCCOc1ccccc1 2356149926 FEOXWLZBBYENDZ-VWLOTQADSA-N 424.541 3.740 0 50 HHAA COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 3195103 BTPGSGUZPFUFDF-UHFFFAOYSA-N 420.259 3.603 0 50 HHAA Cc1cc(C(=O)N2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)cc(C)c1O 2356167257 VXIDNEBLDUCMQO-RUZDIDTESA-N 406.526 3.849 0 50 HHAA COc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3oc4ccccc4c32)cc1 4316105 BNIVPHRJTQPDBR-UHFFFAOYSA-N 402.406 3.608 0 50 HHAA CCOC(=O)C1=CN(CCOC)C=C(C(=O)OCC)C1c1ccc(C(C)C)cc1 4833308 GYCWVKFGPRQXGU-UHFFFAOYSA-N 401.503 3.750 0 50 HHAA Cc1ccc(CCC(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 55042135 PVJIDBIDJUTCTG-DEOSSOPVSA-N 409.549 3.880 0 50 HHAA Cn1ncnc1CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 23145406 QPCOLOVNTNGFAH-UHFFFAOYSA-N 400.530 3.765 0 50 HHAA Cc1ccc2c(C(=O)N(C)CCn3ccnc3C)cc(-c3cnn(C)c3)nc2c1C 63883245 YDOLEJTVHDJNIT-UHFFFAOYSA-N 402.502 3.529 0 50 HHAA O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)C1=NO[C@H](c2ccccc2)C1 261475622 ZODNLWJAMNZHFG-KXBFYZLASA-N 401.413 3.501 0 50 HHAA Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)s1 1339638543 XBDVDXHLRQKNQV-GOSISDBHSA-N 408.527 3.930 0 50 HHAA O=C(COc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1)c1ccccc1 952984331 KJAYBCAWYYOGFY-UHFFFAOYSA-N 406.526 3.783 0 50 HHAA CCC(CC)n1ncc(C(=O)N2C[C@@H](OC)C[C@H]2c2nc(-c3cccnc3)c[nH]2)c1C 170591185 UOGKXOYZMRGASA-RXVVDRJESA-N 422.533 3.940 0 50 HHAA COc1cccc2c1N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)CC[C@H]2C 170597058 IACNOBFCFAUPJE-GOSISDBHSA-N 421.541 3.886 0 50 HHAA C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 170624854 QZHXALIUTXTVST-XOBRGWDASA-N 413.905 3.821 0 50 HHAA CNC(=O)c1ccc(/C=C/C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1 170601759 YJCLTWRDWZWTAR-JXMROGBWSA-N 403.404 3.576 0 50 HHAA Cc1ccc(N2C[C@@H]3CN(Cc4nccs4)C[C@]3(CCc3ccccc3)C2)nn1 1772816850 VMYLHTAKNZBFMX-NZQKXSOJSA-N 405.571 3.813 0 50 HHAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3ccc(O)cc3)C2)c(OC)c1 12590719 WCZBNIZUDQDREQ-SFHVURJKSA-N 412.530 3.718 0 50 HHAA O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccc(-c2ccncc2)nc1O 1875260346 NVUCOMZPQAQANJ-INIZCTEOSA-N 408.889 3.901 0 50 HHAA O=C(NCCS(=O)(=O)CC1CCC1)c1cc(-c2ccccc2)nc2ccccc12 1875258698 KOHHCZRDOKVGLI-UHFFFAOYSA-N 408.523 3.847 0 50 HHAA C=CC(=O)N1CCCc2cc(C(=O)N[C@@H](c3nc(C)cs3)C(F)(F)F)ccc21 1875372182 YPJOGYQOIDTCIV-INIZCTEOSA-N 409.433 3.950 0 50 HHAA N=c1[nH]c(-c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)cs1 1857796343 QSBGWIHKPVTOBK-UHFFFAOYSA-N 413.568 3.866 0 50 HHAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3cc(=O)n4cc(C)sc4n3)C2=O)cc1 2356169865 KCAQREWXVDTCAK-HSZRJFAPSA-N 422.554 3.534 0 50 HHAA CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 10295083 NXZSRWVNHXSFKE-UHFFFAOYSA-N 408.907 3.776 0 50 HHAA O=C(Nc1ccc(Cl)cc1O)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1 100770383 MIKMYFBIXGOICR-UVLGIPFXSA-N 416.905 3.574 0 50 HHAA COc1cc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)ccc1NC(=O)CC(C)C 55384987 VHDONNHMXXOLCM-OAHLLOKOSA-N 422.485 3.589 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccncc1)C[C@@H](NCc1cccc(F)c1)CC3 20363347 SSUQNOHRNJOASY-SFHVURJKSA-N 420.513 3.688 0 50 HHAA C[C@@H](Cc1cccnc1)NC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67740442 GSDKOLBWPAXNGX-IBGZPJMESA-N 418.541 3.885 0 50 HHAA CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)nc2c1 252438279 QHENIWDDCSMSFJ-GZBFAFLISA-N 410.561 3.654 0 50 HHAA COc1cc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)ccc1F 20211595 RZSYFHNSQOFIGK-NRFANRHFSA-N 416.537 3.529 0 50 HHAA COc1cc(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3F)C2)ccc1Br 435603562 JWEBUZUIYJATHB-HAQNSBGRSA-N 414.296 3.821 0 50 HHAA Cc1cc(N2CCC(NC(=O)N[C@@H](C)c3ccc(Br)s3)CC2)n[nH]1 439060159 TUTALTUTUIGYQT-NSHDSACASA-N 412.357 3.571 0 50 HHAA C[C@@H](c1ccncc1)N1CCC(NC(=O)Cc2cccc(Br)c2)CC1 439772503 WOPPSPJUCMZXHD-HNNXBMFYSA-N 402.336 3.728 0 50 HHAA O=C(COc1cc(Cl)c(Cl)cc1Cl)N1N=C(C(F)F)C[C@]1(O)C(F)F 17093675 MVQBZVAEMMBEOO-ZDUSSCGKSA-N 423.577 3.833 0 50 HHAA CCC(C)(C)c1ccc(OC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239203436 SJRYELQMMMOVLI-DVBWKPSCSA-N 407.510 3.723 0 50 HHAA CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)O)[C@H]21 248246269 QLJODMDSTUBWDW-OQCWUKQLSA-N 422.562 3.716 0 50 HHAA biogenic,in-vitro COc1ccccc1NC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 245246496 MWOITYSQBBASLW-WKILWMFISA-N 407.470 3.556 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(OCC)cc4)ccn3n2)cc1 263619614 ZPAUKMGCFMPGHZ-HSZRJFAPSA-N 419.481 3.694 0 50 HHAA CN(Cc1ccc2ncccc2c1)C(=O)c1cc2cc(C3(O)CCNCC3)ccc2o1 823635063 NIDPFMUFIHYNKM-UHFFFAOYSA-N 415.493 3.824 0 50 HHAA CC(C)c1ccc(N2C[C@@H](C(=O)N3CCC(Oc4ccncc4)CC3)CC2=O)cc1 952964213 CCTZHYUXRFBZBM-IBGZPJMESA-N 407.514 3.628 0 50 HHAA COCCc1noc([C@@H]2CCCCN2C(=O)c2c(-c3ccccc3)ccnc2C)n1 952989245 IFZARPVZKYFRAM-IBGZPJMESA-N 406.486 3.996 0 50 HHAA O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC[C@@H](OCc2ccccc2)C1 11754019 JYPYIFJMCAXJNI-LJQANCHMSA-N 410.905 3.801 0 50 HHAA COc1cccc(CNc2ncnc3sc(C(=O)NC(C)C)c(C)c23)c1OC 11813670 SRKHHWMUECXWKY-UHFFFAOYSA-N 400.504 3.767 0 50 HHAA COc1ccccc1CC(=O)N1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC1 11910993 XEUWRKSREPHRSU-UHFFFAOYSA-N 420.431 3.518 0 50 HHAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C/C(C)=C/c3ccccc3)C2)cc1 12303692 UXTOBSWROYPEKZ-DQYQWZCESA-N 414.571 3.789 0 50 HHAA COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 12382894 RWYWASMGNPWVGH-UHFFFAOYSA-N 422.591 3.622 0 50 HHAA Fc1ccc(CN2CCC[C@]3(CCN(Cc4cccn4-c4ncccn4)C3)C2)cc1 12463583 QFZXDRNGHJGDHT-DEOSSOPVSA-N 405.521 3.895 0 50 HHAA O=C1CC[C@@H](CCNCCOc2ccccc2)N1CC1(c2ccccc2)CCOCC1 12512557 BYQFOMZYCXGCCD-QHCPKHFHSA-N 422.569 3.785 0 50 HHAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(CC[C@H](C)c1ccc(C)o1)CC2 14539616 WFNZBUDZKHRBPE-SFHVURJKSA-N 424.545 3.796 0 50 HHAA COc1cccc(CC(=O)N(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)c1 14948364 QYFRNLZCTXPFRS-DEOSSOPVSA-N 414.590 3.900 0 50 HHAA COc1ccc(NC(=O)N2CCC[C@@H](N(C)CCc3ccccn3)C2)cc1Cl 15078231 WRUKRBKAGSRKIM-GOSISDBHSA-N 402.926 3.914 0 50 HHAA CCCCCc1nc(C2CCN(c3nc4nc(C)ccc4o3)CC2)n(C[C@@H](C)O)n1 1857680508 KDENFLSPGMXYKN-MRXNPFEDSA-N 412.538 3.620 0 50 HHAA Cc1nc(CC(=O)NC[C@@H]2Cc3c(ccc4cc(-c5ncccn5)ccc34)O2)cs1 11976173 VWSNLAYAMFLOPJ-SFHVURJKSA-N 416.506 3.724 0 50 HHAA Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccc4c(n3)CCCC4)C2)c1 470223532 OWLSEZLIDQFLER-FQEVSTJZSA-N 405.542 3.746 0 50 HHAA Cc1ccc(CN2C[C@H](C(=O)N(C)Cc3cccc(Br)c3)CC2=O)cc1 497378846 PWWYAXCCWYXZQK-GOSISDBHSA-N 415.331 3.765 0 50 HHAA CC(C)C[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)C(=O)NCCO 1875262225 MJCPGFZGUVNVHL-IBGZPJMESA-N 422.447 3.625 0 50 HHAA O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-c2cccs2)nc1O 1875257501 SBBOOKXQGNKGOV-SFHVURJKSA-N 423.494 3.563 0 50 HHAA Cn1ccc2cc(C(=O)N3CCC([C@@H]4CCCN(C(=O)C(F)(F)F)C4)CC3)ccc21 1875331203 VAFQKMQDFHCEBK-GOSISDBHSA-N 421.463 3.831 0 50 HHAA Cc1nc2cc(C(=O)N3CCC[C@@H]([C@H]4CCNC4)C3)ccc2n1Cc1ccsc1 1875348941 HSQPJBGSOPBOPP-VQTJNVASSA-N 408.571 3.916 0 50 HHAA O=C(O)[C@@H]1CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)Cc2ccccc21 1875302734 DXSFPXMVVICQOJ-MRXNPFEDSA-N 403.360 3.939 0 50 HHAA CC(=O)Oc1ccc(OC(C)=O)c(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 823273 JMKFBVOBYCYYBX-UHFFFAOYSA-N 403.239 3.677 0 50 HHAA COC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OC)C1c1ccc(OC)c(O)c1 1117500 BDXXVYHXSWUVAA-UHFFFAOYSA-N 423.465 3.735 0 50 HHAA CC1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 1146597 REDQLWPIIOGQII-UHFFFAOYSA-N 406.935 3.794 0 50 HHAA Cc1ccc(CN(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)cc1 1160697 AANUTAOFHKMCKJ-UHFFFAOYSA-N 412.486 3.964 0 50 HHAA CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S)n32)CO1 5611222 BYPIQBYLJZTMDQ-AWEZNQCLSA-N 412.540 3.540 0 50 HHAA CC(=O)Nc1cnn(-c2ccc(C(=O)N3CCCC[C@@H]3CCc3ccccn3)cc2)c1 11910748 LVHMXMZYFBUSKU-JOCHJYFZSA-N 417.513 3.853 0 50 HHAA Cc1nc2cc(OCc3cc(C(=O)N[C@@H](C)Cc4ccccn4)no3)ccc2s1 12432697 DKLJLDPXLKKUJW-ZDUSSCGKSA-N 408.483 3.928 0 50 HHAA COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1C(=O)N1CCC(C)CC1 14399780 GMDGFYIAYJKLNY-UHFFFAOYSA-N 424.469 3.646 0 50 HHAA Cc1ccc(NC(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2N2CCOCC2)cc1 14957658 IMOXVMLTASIDCI-UKILVPOCSA-N 421.585 3.937 0 50 HHAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3nc(-c4ccccc4)cs3)C2)CC1 19835766 LCQQIZPXRGPSEH-IBGZPJMESA-N 414.575 3.549 0 50 HHAA CNC(=O)[C@@H]1C[C@H](NCc2cccc(Oc3ccccc3)c2)CN1Cc1ccccc1 32507886 UXEBXVVMVGINET-DHLKQENFSA-N 415.537 3.958 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccc(OC)cc5C)n4)c3CO2)cc1 169770867 XSISJSWHDOYQPX-IBGZPJMESA-N 419.441 3.592 0 50 HHAA COc1cc(S(=O)(=O)Oc2cccc3cccnc23)c(OC)cc1Br 230516850 SEXPYVRQFYTVRY-UHFFFAOYSA-N 424.272 3.782 0 50 HHAA C[C@@]1(C(=O)O)CCN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 237645421 DCQCQOUPAFTBIO-XMSQKQJNSA-N 414.889 3.524 0 50 HHAA CC1(C)CCc2cc(CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)ccc2O1 334162257 QWCFOOKBJCHFFS-HXUWFJFHSA-N 406.482 3.626 0 50 HHAA O=C(NC1CC1)c1cccc(S(=O)(=O)N2CCc3cc(-c4ccccc4)oc3C2)c1 474200063 VCFOQPZHYIBGML-UHFFFAOYSA-N 422.506 3.586 0 50 HHAA O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1c[nH]nc1-c1ccc2c(c1)OCO2 752335286 ZPVRIAMIEHCNER-UHFFFAOYSA-N 409.402 3.715 0 50 HHAA Cc1ccc(Cn2c(CN(C)[C@H]3C[C@H]4CNC(=O)C[C@H]4C3)nc3ccccc32)cc1 1704299055 NLOJOJCEBDUUPD-QHAWAJNXSA-N 402.542 3.740 0 50 HHAA CC(=O)NCc1cccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)c1 1875263662 RCYODISFTSGRNN-GJZGRUSLSA-N 400.548 3.509 0 50 HHAA C[S@](=O)c1cccc(C(=O)N=c2nc(-c3cccc(C(F)(F)F)c3)[nH]s2)c1 1875315909 MHYWAQXRHKZQGP-MHZLTWQESA-N 411.430 3.636 0 50 HHAA C[C@@H]1CC[C@H](NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)C(=O)N1 2325823507 VOLPZCBMUILPRL-XCLFUZPHSA-N 411.452 3.829 0 50 HHAA O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 1143057 MXAOPCDYEOWOJV-UHFFFAOYSA-N 412.433 3.745 0 50 HHAA CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccco4)cc3n2)cc1 1183176 GENWIOZYBIKZGQ-UHFFFAOYSA-N 421.482 3.847 0 50 HHAA CN1CCC(CC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 2356145197 FUBIVSFNZQVVOT-VWLOTQADSA-N 404.558 3.682 0 50 HHAA COc1cc(NC(=S)NC(=O)c2c(OC)cccc2OC)c(OC)cc1Cl 2849199 ANJFGKILQKXSAZ-UHFFFAOYSA-N 410.879 3.501 0 50 HHAA COc1ccc(-c2nc(CN3CCNC(=O)[C@H]3c3ccc(F)cc3)c(C)o2)cc1C 20865118 LTYFXVIXAFBXEX-OAQYLSRUSA-N 409.461 3.779 0 50 HHAA COc1cccc(OCc2cc(C(=O)N(C)C3CC(C)(C)NC(C)(C)C3)no2)c1 11765127 UINRYYAESLVGIC-UHFFFAOYSA-N 401.507 3.643 0 50 HHAA Cn1cc(Br)c(C(=O)Nc2nc3ccccc3n2Cc2ccccc2)n1 656865 KJCJQDWLNATIKS-UHFFFAOYSA-N 410.275 3.833 0 50 HHAA O=C([C@@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCC(Oc2ccccc2F)CC1 11815987 PWIFNXNNACHOQZ-NRFANRHFSA-N 400.425 3.722 0 50 HHAA CC(C)(CO)CN1CCC[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 11818840 CULLEFBPLKGCDO-GOSISDBHSA-N 406.530 3.899 0 50 HHAA CCOc1ccc(CN2CCN(C/C=C/c3ccc(OC)cc3)C[C@H]2CCO)cc1 36385775 MBXADFLSFSJJOZ-NVIZVJJSSA-N 410.558 3.676 0 50 HHAA COc1ccc(NC(=O)[C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@H]2C(=O)O)cc1 13541532 UJVPADQYHUNJPW-BHDDXSALSA-N 418.449 3.896 0 50 HHAA Cc1nc(C2CC2)nc(S)c1C(=O)NCc1cccc(NC(=O)c2ccco2)c1 241946750 UNPITIQBTAKEFC-UHFFFAOYSA-N 408.483 3.726 0 50 HHAA CCCN(C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)C1CCCC1 82083821 UMOOROUJGKDEKU-JOCHJYFZSA-N 412.622 3.939 0 50 HHAA Cc1ccc2ncnc(N[C@@H](C)C(=O)NCCCN3CCCc4ccccc43)c2c1 426412815 VDCQLJCERXQDGO-SFHVURJKSA-N 403.530 3.698 0 50 HHAA COc1cc(-c2nc(CN3CCC(N4C[C@H](C)O[C@H](C)C4)CC3)c(C)o2)ccc1F 97642836 ALDMBOJURUXUNH-IYBDPMFKSA-N 417.525 3.871 0 50 HHAA O=C(COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1)c1cccs1 239306127 GLQHCYADLDGXKN-NQDKFLQJSA-N 405.475 3.567 0 50 HHAA Cc1cc(=O)c(C(=O)O)c2n1-c1ccccc1S[C@@H](c1ccc3c(c1)OCO3)C2 299755648 GJZAXDKJZNSOLF-HXUWFJFHSA-N 407.447 3.962 0 50 HHAA O=C(c1ccc(CSc2ccccn2)cc1)N1CCC(Oc2ncccn2)CC1 828157799 USGAEKBQIATTAI-UHFFFAOYSA-N 406.511 3.848 0 50 HHAA Cc1ccc2c(c1)c(CNC(=O)[C@H]1CC(=O)N(c3ccc(C(C)C)cc3)C1)nn2C 952868567 CDPLHNNFIJIVTG-SFHVURJKSA-N 404.514 3.674 0 50 HHAA CC1CCN(CC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 1704343401 HBRFSKGSKDHQST-RUZDIDTESA-N 404.558 3.682 0 50 HHAA C[C@H]1CN(CCNC(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)Cc2ccccc2O1 11995733 BUYCTCTVLCYXEL-LAUBAEHRSA-N 403.526 3.987 0 50 HHAA CCN(CC)[C@H]1CCN(C(=O)c2cc(COc3ccc(OC)c4ccccc34)on2)C1 12303511 PIIGAWLGQYXMTR-KRWDZBQOSA-N 423.513 3.972 0 50 HHAA COc1cc(C(=O)NCCc2ccccc2Cl)ccc1OC1CCN(C)CC1 12751077 SMAVIZXNLZASSU-UHFFFAOYSA-N 402.922 3.794 0 50 HHAA Cc1nc(C)n(CC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccc2F)n1 15063348 LRXCTPJRYMFCOI-QHCPKHFHSA-N 403.461 3.690 0 50 HHAA COc1ccc(OCC(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 19790036 FORDYNRGDAQIKI-UHFFFAOYSA-N 408.542 3.945 0 50 HHAA Cc1nc(N2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)cc(C(F)(F)F)n1 169772421 VGRNQKPUXJAOBR-UHFFFAOYSA-N 403.408 3.684 0 50 HHAA Cc1ccc2cc(CO)c(N3CCC4(CC3)OCCc3sc(C(=O)O)cc34)nc2c1 1857702506 LZTHFSKFFAHDFR-UHFFFAOYSA-N 424.522 3.864 0 50 HHAA COc1ccc(Br)c(CN2CCC(c3nnc4ccccn34)CC2)c1 225533138 MQXYTFPYKYEJET-UHFFFAOYSA-N 401.308 3.880 0 50 HHAA COCOc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(-c2ccsc2)s1 252488554 IUPXWOMDWICVDF-UHFFFAOYSA-N 417.921 3.704 0 50 HHAA CCn1ncc(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1C 1704299852 LLYJQOLNRXERLW-DEOSSOPVSA-N 401.514 3.789 0 50 HHAA O=C(c1ccncc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 1061234 MVHVAAATZDWQPV-UHFFFAOYSA-N 423.313 3.937 0 50 HHAA aggregator O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccc2c(c1)C(=O)NCC2 2325875336 OGACQUNKGCCOEW-PMERELPUSA-N 418.518 3.674 0 50 HHAA Cc1cnc2n1[C@H](C(=O)N[C@H](C(=O)O)c1ccc(OCc3ccccc3)cc1)CCC2 2325876860 CNRIJCKSWVLKMO-UNMCSNQZSA-N 419.481 3.590 0 50 HHAA O=S(=O)(Nc1nc2ccccc2nc1-n1cnc2ccccc21)c1ccccc1 754181 BLSBPWWNKAYWNP-UHFFFAOYSA-N 401.451 3.770 0 50 HHAA COc1ccc([C@H]2SCC(=O)N2CCc2ccc(OC)c(OC)c2)c(OC)c1 859238 ZITWREFTEDDNOX-OAQYLSRUSA-N 403.500 3.538 0 50 HHAA COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 1162950 HUMJTHGSVORTSQ-UHFFFAOYSA-N 400.862 3.618 0 50 HHAA CC[C@@H](C)NC(=O)c1cc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2n1 1209759 OVSJWBKHPKWIRU-LLVKDONJSA-N 422.407 3.961 0 50 HHAA O=C(c1cccc(Cl)c1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 1457827 RUQWBYBKSBSBIP-LJQANCHMSA-N 411.933 3.541 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)Cc3cccc(Cl)c3)CC1)OCC2 2356156047 SYYALDWQYSPTBO-UHFFFAOYSA-N 415.917 3.990 0 50 HHAA O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 4302114 RMFYTABJIVXKKF-LBPRGKRZSA-N 409.916 3.977 0 50 HHAA CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)CC1 4757559 IGZPCDAOQXDPPF-UHFFFAOYSA-N 418.493 3.674 0 50 HHAA Cc1cccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)c1 6140681 HQFYWFKJCXWHDO-UHFFFAOYSA-N 415.902 3.877 0 50 HHAA CCN(CC)c1ccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(OC)cc3)oc2c1 999673 VALXIXZFLMUUSY-BZZOAKBMSA-N 407.470 3.796 0 50 HHAA COCCN(Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)C(C)C 20535823 OEACHMPJLHECCA-UHFFFAOYSA-N 411.612 3.504 0 50 HHAA C[C@H]1C(=O)Nc2cc(C(=O)N[C@H]3CCCN(c4ccccc4Cl)C3)ccc2N1C 426949161 SJXGXZUZHUVTOT-HOCLYGCPSA-N 412.921 3.516 0 50 HHAA CCCCN1C(=O)/C(=C\c2c[nH]nc2-c2ccc(Br)cc2)NC1=S 6399059 YYHOXNABLNMJLK-NTEUORMPSA-N 405.321 3.697 0 50 HHAA C[C@H]1CN(c2cccc3cnccc23)CCN1CCC(=O)N1CCc2ccccc21 447382724 JDVQGAMYOHUOIM-IBGZPJMESA-N 400.526 3.725 0 50 HHAA CC(C)Oc1cccc2c1c(NC(=O)c1ccn(C)c(=O)c1)nn2-c1ccc(F)cc1 72433697 DAGZCLLOTKUKBU-UHFFFAOYSA-N 420.444 3.903 0 50 HHAA COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3C)n2C)cc1 226818365 RRRFJRRVDHZLKA-UHFFFAOYSA-N 400.479 3.593 0 50 HHAA O=C1NC[C@H](NCc2ccc(C(F)(F)F)cc2)n2nc(-c3ccc(F)cc3)cc21 263617847 PZVGJAWUZNLPRB-GOSISDBHSA-N 404.367 3.740 0 50 HHAA Cc1cc(CN[C@H](Cn2cccn2)c2ccccc2)c(C)c(CN2CCN(C)CC2)c1 952862242 NRYOORVGNDWJTN-AREMUKBSSA-N 417.601 3.778 0 50 HHAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3cc(C)nn3C)C2)cc1Cl 12432451 HQFHIVAJVDMGOU-OAHLLOKOSA-N 418.925 3.662 0 50 HHAA CCOc1ccc(N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 14165895 UQXZWGSJWYYASK-HNNXBMFYSA-N 424.950 3.849 0 50 HHAA CSC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C 14754568 JLYXVYARVLCERC-QGZVFWFLSA-N 411.571 3.820 0 50 HHAA COc1cc(C[C@]2(CCC(=O)N[C@H](C)c3cccs3)CCC(=O)N2)ccc1F 14886255 CMTHFPQHVFWXNO-SZNDQCEHSA-N 404.507 3.745 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(F)c3)n2)ccc1C 16624888 BKGZPLQRHNZRMF-CQSZACIVSA-N 408.433 3.516 0 50 HHAA CN(CCCCN1CCOCC1)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 19789914 ZOBGQYAZJRDXAM-UHFFFAOYSA-N 407.514 3.603 0 50 HHAA COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)CC1 19842050 UNWXPWPWYIOSRQ-OAQYLSRUSA-N 401.501 3.760 0 50 HHAA O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 1226548739 UTOPCKXUQIOHSS-SSGKUCQKSA-N 422.525 3.770 0 50 HHAA C[C@H](C(=O)Nc1cccc(C(=O)Nc2cnccn2)c1)[C@H]1OCCc2sccc21 1875253335 GRFSWDMOFXWCJD-ORAYPTAESA-N 408.483 3.679 0 50 HHAA COc1ccc(CCN2C(=O)[C@@H](Oc3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 1441236 LXGQZJHCEHNGSS-ZEQRLZLVSA-N 417.461 3.998 0 50 HHAA Cc1nn(CCCC(=O)Nc2ccc(F)cc2F)c(C)c1I 12372186 XVNFPEQHRDBRLI-UHFFFAOYSA-N 419.213 3.802 0 50 HHAA Cn1c(COC(=O)c2ccc(-c3nc[nH]n3)cc2)nc2cc(C(F)(F)F)ccc21 2325710610 DYKQJAQDKNSPAF-UHFFFAOYSA-N 401.348 3.734 0 50 HHAA O=C(N=c1[nH]oc2c1CCCC2)C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325820250 JVMAKNQZGCGSSU-UHFFFAOYSA-N 422.312 3.502 0 50 HHAA CC(C)c1nnc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 921098 YBXBPHLEIVPWTH-QGZVFWFLSA-N 420.494 3.508 0 50 HHAA CC(C)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1 1130517 KUGVIJXXRFXASQ-UHFFFAOYSA-N 423.542 3.599 0 50 HHAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1F 1161181 FZMKRJSHGRCXEN-UHFFFAOYSA-N 408.470 3.927 0 50 HHAA CCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 2882997 BPTYJWCYGWXKAD-UHFFFAOYSA-N 416.319 3.760 0 50 HHAA COc1c(F)c(F)c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c(F)c1F 2883493 XEKSPVOVAOAEAT-UHFFFAOYSA-N 418.774 3.994 0 50 HHAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Br)c2)NC(=S)N1 4680330 BDAULXNCMYDDKG-INIZCTEOSA-N 402.317 3.881 0 50 HHAA COc1cc(OC)c(C2=NO[C@H](C(=O)N3CCCc4ccccc43)C2)cc1Cl 4825453 GCAASCUGFSAQQA-FQEVSTJZSA-N 400.862 3.830 0 50 HHAA C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 225461744 FKKQMZMCZZKANE-RDTXWAMCSA-N 418.925 3.901 0 50 HHAA Cc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 9423334 SNUWDGZWQXVVEL-INIZCTEOSA-N 406.461 3.756 0 50 HHAA COc1ccccc1[C@H]1CN(CC(=O)N[C@H]2CCOC(C)(C)C2)Cc2ccccc2O1 2356096808 RXYARSGZTQJRLT-WMZHIEFXSA-N 424.541 3.705 0 50 HHAA CCS(=O)(=O)N1CCC(Oc2cccc(CN(C)Cc3ccsc3)c2)CC1 11839971 YUSYSBIWONFCRY-UHFFFAOYSA-N 408.589 3.573 0 50 HHAA Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)N1CCOCC1 711596 VKPRHSTUDRZUTR-UHFFFAOYSA-N 424.810 3.849 0 50 HHAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1c(OC)ccc3ccccc13)C2 14530435 ANVIGQVQFZYTTI-UHFFFAOYSA-N 418.541 3.859 0 50 HHAA Cc1sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C(=O)NC2CCCCC2)c1C 239222049 UGVOMYWDFCWPOV-LBTBCDHLSA-N 416.543 3.889 0 50 HHAA CC(C)[C@@]12CC[C@@](C)(O1)[C@H](Oc1cccc(Cl)c1CNC(=O)[C@@H]1C[C@H]1C(=O)O)C2 252428341 YVYOHLNJGLJXES-JPKTUMGVSA-N 421.921 3.792 0 50 HHAA C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1)C(=O)O 170594911 ASLMHQCBUYMHKO-SNVBAGLBSA-N 405.369 3.909 0 50 HHAA CC(=O)Nc1ccc(NC(=O)NCCNc2ccc(-c3ccccc3)nn2)cc1C 754431287 FEEKCQCOZABSHR-UHFFFAOYSA-N 404.474 3.644 0 50 HHAA O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 12434837 SFYZLOQHNPZBNJ-HXUWFJFHSA-N 409.486 3.620 0 50 HHAA Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NC[C@@H]4CCCO4)cc3N2)cc1 18210449 KBDSXPOYXRGAKL-YQQAZPJKSA-N 408.424 3.761 0 50 HHAA COc1cc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc2c1OCO2 19781879 KIKXLTXOVBPWFF-UHFFFAOYSA-N 408.420 3.761 0 50 HHAA COc1ccc(F)cc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857697280 NEOLVQPDAZBRAE-HSZRJFAPSA-N 413.493 3.748 0 50 HHAA O=C(c1cc(C(F)F)[nH]n1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704297546 CBJHUEHCZPDEAY-JOCHJYFZSA-N 409.440 3.925 0 50 HHAA O=C(c1ccc2c(ccn2Cc2ccccc2)c1)N1CCN(c2cccnc2)C(=O)C1 1875261401 LFAYQZLMKQPINW-UHFFFAOYSA-N 410.477 3.574 0 50 HHAA COC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cc(C3CC3)nc3onc(C)c23)n1C 1875342998 BZCFIBKGCYLWMC-SFHVURJKSA-N 422.485 3.901 0 50 HHAA C[C@@H]1Cn2ncc(C(=O)O)c2CN1C(=O)OCC1c2ccccc2-c2ccccc21 1772770357 LPZBLYRPYJVVQY-CQSZACIVSA-N 403.438 3.735 0 50 HHAA O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ncoc2[C@@H]2CCCO2)cc1 1322893842 UKYNCDDSYXZKMI-IBGZPJMESA-N 405.454 3.751 0 50 HHAA Cc1ccc(Oc2ccc(NC(=O)c3nc4nc(C(F)(F)F)ccn4n3)cn2)cc1 2325876236 NXZASIUASFNJLO-UHFFFAOYSA-N 414.347 3.891 0 50 HHAA NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 810604 VCROAEGRVATHLZ-UHFFFAOYSA-N 410.373 3.865 0 50 HHAA Cc1cccc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 2854664 IYLMMUIRTCDYCC-UHFFFAOYSA-N 416.543 3.742 0 50 HHAA CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1cc(Cl)c(Cl)cc1Cl 2871521 OXNCPMGNNJSFRQ-UHFFFAOYSA-N 413.754 3.862 0 50 HHAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)cc2)c1C 6292412 ITKKFCVDVGXZFD-OAHLLOKOSA-N 418.302 3.615 0 50 HHAA COCCn1cncc1Cn1cnc(-c2ccccc2)c1-c1cccc2nonc12 65425634 MIQCUNPZARRRHY-UHFFFAOYSA-N 400.442 3.645 0 50 HHAA CCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1 2835908 JDBIDOLGWHRWJX-UHFFFAOYSA-N 401.355 3.946 0 50 HHAA biogenic COc1ccc(OC)c(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(C)o3)C2)c1 39355360 HCEBYACUMYZOGK-KRWDZBQOSA-N 414.502 3.554 0 50 HHAA Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C(N)=O)cc1C 17081993 JWLSNJKUNIOSFV-LSDHHAIUSA-N 400.500 3.960 0 50 HHAA Cc1nnnn1-c1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 252486197 HJBZELQYKIZRSZ-QFIPXVFZSA-N 423.480 3.561 0 50 HHAA CC(=O)Nc1cc(C(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)ccc1C 170614476 IWNIXKUPRXABOT-JOCHJYFZSA-N 401.507 3.569 0 50 HHAA CCN(C[C@H]1COc2ccccc2O1)C(=O)c1[nH]nc(C(C)C)c1Br 170623475 ZWYWZKDQCCESEJ-LBPRGKRZSA-N 408.296 3.598 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)cc1OC 11772329 JPSPIXQGSZAAGY-KRWDZBQOSA-N 421.449 3.545 0 50 HHAA C[C@H]1CN(CCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)Cc2ccccc2O1 11789918 YBYYNOVPGPMZQP-AZUAARDMSA-N 418.541 3.942 0 50 HHAA Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccc(F)cc2F)C3)n1 11881722 BJOFFWGSRCHYEH-INIZCTEOSA-N 413.399 3.911 0 50 HHAA O=C(NC1CCCC1)c1ccc(N2CCC(NCc3ccc4c(c3)OCO4)CC2)cc1 12135936 TYULSCSXJNEAJF-UHFFFAOYSA-N 421.541 3.846 0 50 HHAA COc1ccc(C(=O)N(C)CC2CCN(CCc3ccccc3OC)CC2)cc1F 12574914 BMPQCIZWSKXOKA-UHFFFAOYSA-N 414.521 3.870 0 50 HHAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC[C@@H](C(N)=O)C1 12595119 AVIXWNUGZDCXHI-MRXNPFEDSA-N 410.468 3.823 0 50 HHAA CCN(CC)CCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 14963412 YOHPWWLXAJMRAO-UHFFFAOYSA-N 423.601 3.844 0 50 HHAA Nc1nc(CC(=O)CSc2ccc(Cl)cc2)nc(Nc2ccc(F)cc2)n1 16945065 HTSDADPOMIGTOE-UHFFFAOYSA-N 403.870 3.894 0 50 HHAA aggregator COc1ccc(C)cc1-n1ccc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)n1 109184069 XLZQCBCIHOGSCO-UHFFFAOYSA-N 412.877 3.553 0 50 HHAA Cn1c(CNC(=O)C2(c3cccc(F)c3)CCOCC2)nc2cccc(Cl)c21 475702293 UKNPRYQDYJWCNO-UHFFFAOYSA-N 401.869 3.730 0 50 HHAA COC(=O)N1CCC(CNC(=O)c2cc(-n3cccc3)cc(C(F)(F)F)c2)CC1 1875321167 WUNPUHQTTHAGJE-UHFFFAOYSA-N 409.408 3.704 0 50 HHAA O=C(NCc1cccnc1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 866513 GLNVTHRMCZGKIK-ZFWWWQNUSA-N 407.421 3.930 0 50 HHAA CCc1ccccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O 1068916 ODTJIRKFEFSQTJ-UHFFFAOYSA-N 400.422 3.673 0 50 HHAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 1088553 KECOTKDHDAHXHM-SFHVURJKSA-N 410.524 3.567 0 50 HHAA CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3N2)cc1 6760264 BTTQUKQEJKPQNI-SJORKVTESA-N 408.424 3.578 0 50 HHAA CCc1ccc(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)nc1 11821132 DQWKJZAALWPBPW-UHFFFAOYSA-N 411.546 3.834 0 50 HHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 12317566 PMMGQKJGKHNFPY-DEOSSOPVSA-N 421.497 3.818 0 50 HHAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)CC(F)(F)F)C2)cc(OC)c1 12612049 HPXDQGBSDQVTKH-ZDUSSCGKSA-N 402.413 3.614 0 50 HHAA O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(I)c1 13281403 SMPSYGGFOANTKP-UHFFFAOYSA-N 409.252 3.898 0 50 HHAA CCOC(=O)c1sc(N(CC(C)C)C(=O)c2cc(C(F)(F)F)nn2C)nc1C 13961354 LBZWETZVORMRRH-UHFFFAOYSA-N 418.441 3.683 0 50 HHAA COC(=O)c1c(NC(=O)CCc2ccccc2)c2cc(NCC(C)C)cnc2n1C 14538541 ZZEYAPJKHBJZSL-UHFFFAOYSA-N 408.502 3.999 0 50 HHAA O=C1C[C@@H](c2ccccc2)NCCCN(C(=O)/C=C/c2ccccc2)CCCCN1 14649848 YCGJAANQHNQGOR-NSFRLNINSA-N 405.542 3.550 0 50 HHAA CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 15064776 VRBIAZNCKNWKOL-HXUWFJFHSA-N 402.516 3.505 0 50 HHAA O=C(OCC(=O)c1ccccc1Cl)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 16247532 OLPDUOFTHJCPEI-IAGOWNOFSA-N 423.852 3.835 0 50 HHAA COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)c2)c1 17987886 QTGIDGSNHONZFW-RTBURBONSA-N 420.465 3.802 0 50 HHAA CCN(CC)[C@H]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 20538491 KKXAUNXFZXYUKP-SFHVURJKSA-N 417.623 3.718 0 50 HHAA O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccc(Br)cc1 54225067 SGLCVFZVVJCZRD-UHFFFAOYSA-N 408.727 3.863 0 50 HHAA CC[C@H]1C(=O)NCCN1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 55244385 WAQCPDKKVUWAGE-FQEVSTJZSA-N 422.504 3.706 0 50 HHAA O=C(c1ccc(OC2CCN(Cc3ccc4nonc4c3)CC2)cc1)N1CCCC1 55371571 OREZVKLWCDACLS-UHFFFAOYSA-N 406.486 3.502 0 50 HHAA COC(=O)[C@@H]1CCN(C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)C[C@H]1C 170610000 GPXLIMQMLRUVML-RHSMWYFYSA-N 402.516 3.869 0 50 HHAA CC(C)Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)cc1 225624454 FOMFJEWJIRYXNV-BWKNWUBXSA-N 406.526 3.984 0 50 HHAA Cc1ccc(-n2cnc(C(=O)Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 252485674 HBOLBHUXXJULRD-UHFFFAOYSA-N 414.343 3.953 0 50 HHAA Cn1cc(C(=N)O)c([C@H]2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3O)C2)n1 328605968 PXYOHRBOAZGMDJ-SFHVURJKSA-N 418.497 3.620 0 50 HHAA COc1ccc(C[C@@](C)(O)CNC(=O)c2ccc(-c3ccccc3)nc2C)cc1OC 461222963 ZHJPYGFETLLQCJ-RUZDIDTESA-N 420.509 3.798 0 50 HHAA NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)N5CCCC5)nc4)cc3)nc12 474604825 FGYMYGOISDHDDF-UHFFFAOYSA-N 411.465 3.627 0 50 HHAA Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N(CC(N)=O)Cc3ccccc3)c2)n1 1443793458 ZTHZPERZMSCEOU-UHFFFAOYSA-N 423.904 3.618 0 50 HHAA COc1cc(OCc2ccccc2)ccc1CN1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704305483 QZRDZIMZAQPRNH-JWQCQUIFSA-N 410.558 3.553 0 50 HHAA CC(C)c1cc(C(=O)N2CCC[C@@]3(CCCN(Cc4ccccn4)C3=O)[C@@H]2C)no1 1940196635 XBGOQRUVWFIHDO-SBUREZEXSA-N 410.518 3.627 0 50 HHAA O=C([C@@H]1CCCCN1C(=O)c1ccccc1)N1CCC2(CC1)OCCc1sccc12 2356150020 ILIIQHRRNOACBX-FQEVSTJZSA-N 424.566 3.833 0 50 HHAA COc1ccc(NC(=O)N2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)cc1 2356161815 LEZCGHNZGJONCQ-XMMPIXPASA-N 407.514 3.927 0 50 HHAA Cc1sc2nc(SCC(=O)N3CCCC3)n(Cc3ccccc3)c(=O)c2c1C 947731 MCKPEAOBYBWVOC-UHFFFAOYSA-N 413.568 3.838 0 50 HHAA CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 996958 YIQOQRNGWXVCLY-UHFFFAOYSA-N 415.342 3.903 0 50 HHAA COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 2061461 LSBKUSOZXQFFNE-UHFFFAOYSA-N 403.456 3.654 0 50 HHAA COc1cccc(C(=O)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)c1OC 2799298 CHYIEGVAQKNSSK-UHFFFAOYSA-N 407.257 3.903 0 50 HHAA O=S(=O)(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(Br)s1 2804294 VDGAYLPHXGYFEI-UHFFFAOYSA-N 416.297 3.695 0 50 HHAA CCOC(=O)[C@@](O)(c1ccc(N(CC)C(=O)c2cccs2)cc1)C(F)(F)F 2841376 IAGBDIZIUINRNK-KRWDZBQOSA-N 401.406 3.728 0 50 HHAA COc1ccccc1CN1C[C@H](C(=O)NCc2ccc3[nH]c(C)cc3c2)CCC1=O 11767685 VUSIQQQFDRDRRO-LJQANCHMSA-N 405.498 3.540 0 50 HHAA CCC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccc(OC)cc2)n1C 11788113 HNGDIPLXVUZSGN-IBGZPJMESA-N 410.543 3.926 0 50 HHAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)COc2ccc(Cl)cc2)CC1 11996831 JPZKBJKJBXGHEQ-IBGZPJMESA-N 423.937 3.850 0 50 HHAA CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@@H]1CCCN(Cc2ccccc2F)C1 12305674 QQXYHPSUJGFGLE-QGZVFWFLSA-N 400.885 3.863 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 12308046 CUPQDYJHMFIDHB-KRWDZBQOSA-N 424.570 3.958 0 50 HHAA Cc1cccc([C@@H]2CCCN(C(=O)C[C@@]3(c4ccccc4F)CC(=O)N(C)C3=O)C2)c1 14879843 ILWZZIOCYXWARN-KBMIEXCESA-N 422.500 3.557 0 50 HHAA O=C(NCCc1ccccc1)[C@H]1CC12CCN(C(=O)CSc1ccccc1)CC2 14984310 GYXMSVBPRHLFTQ-OAQYLSRUSA-N 408.567 3.766 0 50 HHAA CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Cl)cn1 17091264 UKRPSGUWQIPFQL-UHFFFAOYSA-N 417.922 3.677 0 50 HHAA COC(=O)c1ccc([C@@H]2CC(=O)Oc3c2c(C)cc2oc(=O)c4c(c32)CCC4)cc1 263586516 VEMYRHROOUXOFI-KRWDZBQOSA-N 404.418 3.818 0 50 HHAA biogenic Cc1ncsc1CN(Cc1ccccc1)C(=O)CCc1c(C)nc2ncnn2c1C 952976753 OKRXWWQNIWAXTN-UHFFFAOYSA-N 420.542 3.668 0 50 HHAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1nnc(-c2ccccc2)o1 1506396157 PZXCUTDPJAVDTK-UHFFFAOYSA-N 407.879 3.576 0 50 HHAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N[C@@H](C)Cc1cccnc1 1506400005 SFSATMLONGOCEA-JTQLQIEISA-N 415.393 3.566 0 50 HHAA Cc1nc([C@@H](C)NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)c(C)s1 1506428882 ZETHGENLMBMUOP-SSDOTTSWSA-N 420.438 3.801 0 50 HHAA Cn1cc(Cl)c(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 1704359590 UIJZEDMMUGRRDH-QFIPXVFZSA-N 407.905 3.651 0 50 HHAA CCOc1cccc(CCNC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)c1 1875362639 NQXXLDPDJKUNBT-LJQANCHMSA-N 417.303 3.700 0 50 HHAA CC(C)(C)OC(=O)N1CCCCNCCOc2cccc(c2)-c2nccn2CCC1 2100532815 BCMAYXCPJXNHSD-UHFFFAOYSA-N 414.550 3.940 0 50 HHAA COc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 816914 WHJAIRDDWCWOCK-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA Cc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1C 879220 IYLMILHZZGSOOX-UHFFFAOYSA-N 414.571 3.551 0 50 HHAA COC(=O)c1c(NC(=O)CCCOc2ccccc2)sc2c1[C@@H](C(=O)OC)CC2 4039896 IESFIMIVGQUMSF-AWEZNQCLSA-N 417.483 3.535 0 50 HHAA Cc1ccccc1Cc1nc2cccnc2n1C1CCN(C(=O)c2cn[nH]c2)CC1 12245760 NMWNYLVVIWPAKX-UHFFFAOYSA-N 400.486 3.531 0 50 HHAA Cc1nc(CCNC(=O)c2cc(COc3cccc4cccnc34)on2)sc1C 12303428 SKNGBVXCBKFVGE-UHFFFAOYSA-N 408.483 3.848 0 50 HHAA Cc1nc(N2CCC(C(=O)N(C)C[C@H]3CCCCO3)CC2)nc2cc3c(cc12)CCC3 14993103 HOVGDNFZAOLDJX-OAQYLSRUSA-N 422.573 3.671 0 50 HHAA Cc1c(C(=O)NCCc2ccccc2)sc2ncnc(NCc3ccccn3)c12 14995594 UTDTYHRDXDLWBE-UHFFFAOYSA-N 403.511 3.979 0 50 HHAA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2ccccc2Br)C1=O 19765785 DAQOFBQHPDRZPZ-CQSZACIVSA-N 406.257 3.572 0 50 HHAA Cc1ccc(CN2CCN(C(=O)c3ccn(COc4cccc(Cl)c4)n3)CC2)cc1 20028687 NZZIFSBGCXOQEZ-UHFFFAOYSA-N 424.932 3.839 0 50 HHAA Cc1ccc(C(NCCOCCOCC(=O)O)(c2ccccc2)c2ccccc2)cc1 169723031 FPSCLHPNDAPRAN-UHFFFAOYSA-N 419.521 3.994 0 50 HHAA CCOc1ccccc1-c1noc(-c2nnn3c2CO[C@@H](c2cccc(OC)c2)C3)n1 169758459 UZHZTVFPXDELDT-LJQANCHMSA-N 419.441 3.674 0 50 HHAA Cc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1 169775751 HUVOTXYFXNOATM-UHFFFAOYSA-N 400.482 3.518 0 50 HHAA CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1NS(=O)(=O)c1ccccc1 242191313 XENUWLZAYOIVBA-FQEVSTJZSA-N 409.467 3.778 0 50 HHAA C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 248112073 RDWLWYOLVMITEH-XQQFMLRXSA-N 407.399 3.537 0 50 HHAA CCOc1ccccc1C(=O)N1CCN(c2ccc(Br)c(C)n2)CC1 302055139 ALKOENDQIPGIJV-UHFFFAOYSA-N 404.308 3.514 0 50 HHAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 1565525930 PTAWRICUJQYMJC-CDXJDZJCSA-N 420.513 3.520 0 50 HHAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)NCCN1CCCCCC1)C2 1772819969 YXJKULRMLOVKBN-MRXNPFEDSA-N 402.564 3.512 0 50 HHAA NC(=O)c1ccc(CN2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)cc1 1857690483 FRCLFOFPJMBQIB-DEOSSOPVSA-N 421.585 3.857 0 50 HHAA Cc1ccc(F)cc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857734150 LQWHLCMNFQKUSZ-XMMPIXPASA-N 418.472 3.812 0 50 HHAA CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 843803 MYPZUCGVJRYHNR-CYBMUJFWSA-N 403.276 3.839 0 50 HHAA COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC(=O)c1ccc(F)cc1 1115328 PXZMZKPZMIYMKH-UHFFFAOYSA-N 400.431 3.887 0 50 HHAA COc1ccccc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 1146680 HGNPHNYYJCJOGY-AWEZNQCLSA-N 414.527 3.797 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1cccc(OC)c1 1172943 PKVQOYDDUDODSA-HXUWFJFHSA-N 408.479 3.656 0 50 HHAA Cc1cccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)O)cc2)c1 1178012 LRZQPEDKUOGHIO-UHFFFAOYSA-N 404.422 3.963 0 50 HHAA CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 1476588 XYCQIHPCPUUJAU-UHFFFAOYSA-N 401.919 4.000 0 50 HHAA CCCNC(=O)c1ccccc1NC(=O)c1ccccc1I 2883051 OFDFMMSFJUPKFY-UHFFFAOYSA-N 408.239 3.683 0 50 HHAA O=C1N[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 4163730 DJBWFJHVCRDNDT-CPUCHLNUSA-N 416.758 3.583 0 50 HHAA CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1 4418940 MKUMTSLGVISSNT-UHFFFAOYSA-N 414.527 3.855 0 50 HHAA CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2ccc(CNc3ccccc3)cc2)=NO1 225581880 IELPNBNSZORJLF-LJQANCHMSA-N 424.501 3.907 0 50 HHAA O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 230083627 MVPPLLXGOQICAR-IIAWOOMASA-N 414.449 3.678 0 50 HHAA COc1ccc([C@H]2[C@@H](C(=O)Nc3cccnc3)c3ccccc3C(=O)N2C)cc1OC 40267884 AIOKNPIENITEMR-VXKWHMMOSA-N 417.465 3.648 0 50 HHAA CC(=O)c1ccc(NC(=O)CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 22752564 OTHVRRYHUVFXFZ-UHFFFAOYSA-N 420.340 3.952 0 50 HHAA CCOC(=O)c1ccc(Cn2c(=N)n(CCN3CCCCC3)c3ccccc32)cc1 253470508 AHRUXHLRTWIMHN-UHFFFAOYSA-N 406.530 3.633 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cn1 824827614 QKYZRTJTBLECTE-SFHVURJKSA-N 417.465 3.837 0 50 HHAA COc1ccc(-n2ccnc2CNCCc2nc(O)c3c(C)c(C)sc3n2)cc1 952970072 BPICTIGYBLPOEC-UHFFFAOYSA-N 409.515 3.540 0 50 HHAA COc1ccccc1CC(=O)NC[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 952978068 DEXAQVFYLRTOQS-IBGZPJMESA-N 403.526 3.814 0 50 HHAA COc1cc(-c2onc(N3CCC([C@H](O)CC(C)C)CC3)c2C(=O)O)ccc1F 1704334273 HHCONNQVALNDSK-MRXNPFEDSA-N 406.454 3.811 0 50 HHAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 5389002 NQTAARYVVMRZKS-UHFFFAOYSA-N 404.253 3.864 0 50 HHAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)Cc4ccccc4)C3)C2)c1OC 11879493 LLGFYAVIOQSWRY-VWLOTQADSA-N 408.542 3.761 0 50 HHAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 11935615 PLOKJFGRMHEJKG-NRFANRHFSA-N 418.476 3.904 0 50 HHAA Cc1c(C(=O)N2CCC[C@H](CO)C2)sc2ncnc(NCCCc3ccccc3)c12 12048245 KHMICIIVWWSLKI-SFHVURJKSA-N 424.570 3.889 0 50 HHAA CCCC[C@H]1CN(CCC(=O)NCCCOc2cccnc2)Cc2ccccc2O1 12160331 OZRFPZKWXWFHHQ-QFIPXVFZSA-N 411.546 3.810 0 50 HHAA Cc1cccc(C[C@@H](C)NC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n1 12320822 INQQKJJHRUECNQ-GOSISDBHSA-N 421.541 3.531 0 50 HHAA Cc1ccc(C(=O)Oc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)cc1 13282032 OXLMPSRSMWTRGL-KGENOOAVSA-N 412.470 3.985 0 50 HHAA COc1ccccc1-n1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1 15066056 QSXOOASHOFOBKO-FQEVSTJZSA-N 422.504 3.757 0 50 HHAA COc1cc(F)ccc1CN1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 19300748 MHFMUTGVUNGLFS-QFIPXVFZSA-N 401.501 3.760 0 50 HHAA Cc1ccc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 19595389 ITWSFRNMQXVAFO-FQEVSTJZSA-N 413.587 3.567 0 50 HHAA COC(=O)C1(C(=O)OC)[C@H](/C=C/c2ccc(OC)cc2)[C@]1(C)C(=O)c1ccc(C)cc1 4653535 JXEXCTWSULYEKG-NQODNPSBSA-N 422.477 3.868 0 50 HHAA O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCC[C@@H]3[C@@H](O)C(F)(F)F)ccc21 229898603 HPJRJTLJKPZODT-CEXWTWQISA-N 419.399 3.669 0 50 HHAA Nc1c(Cl)ccc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)c1Cl 242263436 XZDGMLQIFVMHEU-UHFFFAOYSA-N 408.285 3.923 0 50 HHAA C[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 1875265179 NXDUMLWEMHQBAV-LBPRGKRZSA-N 418.906 3.593 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N2Cc3cccc(Br)c3C[C@H]2CC)C1 1875371801 MKHOEBZPXAPNAC-HZPDHXFCSA-N 405.336 3.537 0 50 HHAA CN(C(=O)c1cc2ccc(F)cc2s1)[C@H]1CCCN(C(=O)[C@@H]2CCCS2)C1 1875310410 OYZSDGWBIYCODR-HOTGVXAUSA-N 406.548 3.999 0 50 HHAA Cc1ncn(-c2ccc(NC(=O)c3nn4cccnc4c3Br)cc2)c1C 1875322745 FKXGJLPHXWCSSJ-UHFFFAOYSA-N 411.263 3.547 0 50 HHAA Cc1nc(-c2ccc(CC(=O)Nc3ccc(C(=O)NCCC(=O)O)cc3)cc2)cs1 2325743678 UWNPZLZPMDPDFD-UHFFFAOYSA-N 423.494 3.504 0 50 HHAA C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)C[C@@H](C)O1 752781 UEIKITSCDLGXKO-HZPDHXFCSA-N 422.460 3.513 0 50 HHAA COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1Br 1085387 YCQNPAPPFJLZLX-UHFFFAOYSA-N 409.305 3.749 0 50 HHAA COc1ccc(Cc2nnc(NC(=O)c3cccc(NC(=O)C(C)C)c3)s2)cc1 1128566 ABHWGDQOHCNUTB-UHFFFAOYSA-N 410.499 3.984 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2OC)sc(C(C)=O)c1C 1162320 VAHLZDJSBIWWPX-CYBMUJFWSA-N 405.472 3.850 0 50 HHAA O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1)c1ccccc1F 9601069 ORGWCQMYQIZNBH-UHFFFAOYSA-N 424.453 3.638 0 50 HHAA Cc1ccc(C[C@@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@H]2C)cc1 100564142 BJAJDJPXPQLWCD-GUYCJALGSA-N 419.262 3.968 0 50 HHAA Cc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4C)CC3)n2)c1 67601768 CICRNODVZJNPSY-UHFFFAOYSA-N 404.514 3.882 0 50 HHAA CCn1cncc1S(=O)(=O)N[C@H](c1cccc(SC)c1)c1cc(F)ccc1F 433819728 QXYHGZHMGWAIHN-LJQANCHMSA-N 423.510 3.971 0 50 HHAA O=C(Nc1ccc(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1)[C@@H]1CCCO1 478236515 ZCAYEZBIOUZDBR-RTWAWAEBSA-N 408.502 3.913 0 50 HHAA CC(C)Cc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)cc1 39442938 ZJXWRTFABUGCHU-RUZDIDTESA-N 401.639 3.627 0 50 HHAA Cc1nsc2ncn(CC(=O)Nc3ccccc3Sc3ccccc3)c(=O)c12 241588363 PCLAATGCRUTMTN-UHFFFAOYSA-N 408.508 3.951 0 50 HHAA O=C1[C@H]2[C@@H](c3cccc(O)c3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(F)cc1 136642634 IGUTXHYMHKWJIM-PWRODBHTSA-N 404.397 3.582 0 50 HHAA CNC(=O)[C@@H]1C[C@H](NCc2c(F)cccc2F)CN1Cc1cccc2ccccc12 20452970 ARGSREXGQOFGJU-MBSDFSHPSA-N 409.480 3.597 0 50 HHAA N=C(NS(=O)(=O)c1ccc(Cl)s1)c1ncc(C(F)(F)F)cc1Cl 261495027 PKIJHVFMUZVTPE-UHFFFAOYSA-N 404.222 3.773 0 50 HHAA COCCc1noc([C@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(Cl)c2)n1 952970884 FUYPLGDGKKODCA-GOSISDBHSA-N 418.925 3.880 0 50 HHAA Cc1c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)nnn1Cc1ccccc1F 170617450 UHKRBLRYWPAKLJ-UHFFFAOYSA-N 414.384 3.594 0 50 HHAA O[C@H](c1ccccc1)C1(CNCc2cc3ccccc3nc2N2CCOCC2)CC1 752099883 FADMBSBBNZGWET-HSZRJFAPSA-N 403.526 3.675 0 50 HHAA CCn1ccc2cc(CN3CCO[C@H](CO)[C@H]3c3ccc(OC)c(OC)c3)ccc21 1529185414 MTAFQIFPOPUYKM-DNQXCXABSA-N 410.514 3.613 0 50 HHAA CC(C)c1nc2ccc(-n3ccnc3-c3cnc(NC[C@H]4CCCO4)nc3)cc2[nH]1 1800411805 OLZRAOXSXZHMGL-QGZVFWFLSA-N 403.490 3.920 0 50 HHAA Cc1noc(C)c1CC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2Cl)C1 12023415 NNNPPOBXPZKMNV-QGZVFWFLSA-N 417.937 3.823 0 50 HHAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cc1c(C)noc1C 12076039 IXJIVEYAOTYGTM-NRFANRHFSA-N 413.562 3.646 0 50 HHAA CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)CC1 12296368 HBIHILGQENLYSC-GHBBCFCZSA-N 407.599 3.698 0 50 HHAA O=C(c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)N1CCC[C@@H](O)C1 12439106 HMCQOUYNQPNHCJ-GOSISDBHSA-N 406.954 3.723 0 50 HHAA COc1ccc(CC2(CO)CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 12457830 BLJKGGOIKGJVPA-UHFFFAOYSA-N 409.505 3.837 0 50 HHAA CC(C)N1CCC[C@@H](CNC(=O)CCc2nnc(CCCCc3ccccc3)o2)C1 12571938 QYEKTTLOOHVOEH-NRFANRHFSA-N 412.578 3.804 0 50 HHAA CC(C)CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 14750386 DHGWPQOMUKDOHP-UHFFFAOYSA-N 406.530 3.537 0 50 HHAA CN(CCc1ccccc1)[C@@H]1CCCN(Cc2ccc(Sc3nncn3C)o2)C1 19792436 YCHSHAIJUMJNFY-LJQANCHMSA-N 411.575 3.698 0 50 HHAA O=C(Nc1cc(F)ccc1Cl)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 169760340 PGCCARCYIVKNCJ-LJQANCHMSA-N 415.808 3.928 0 50 HHAA CCCc1noc(-c2cn(C3CCN(C(=O)c4ccc(F)c(Cl)c4)CC3)nn2)n1 169777387 QCTMLIBMNOIGSE-UHFFFAOYSA-N 418.860 3.550 0 50 HHAA O=C(c1c[nH]c2ccccc12)N1CCCN(Cc2cc(-n3ccnc3)cs2)CC1 1875259362 YMCDLWCVAOWEOP-UHFFFAOYSA-N 405.527 3.763 0 50 HHAA CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)c2cc(=O)c3cc(Cl)ccc3o2)o1 2325737676 AOZZSTOIPNSQJG-INIZCTEOSA-N 414.845 3.653 0 50 HHAA CCOc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 654243 WRHPWBWGSLTWQA-UHFFFAOYSA-N 416.543 3.602 0 50 HHAA O=C(Nc1ccccc1C(=O)O)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 754639 OZTGEJJJJHPYJZ-UHFFFAOYSA-N 404.378 3.588 0 50 HHAA CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 810142 STOUPUMJTIBMDG-UHFFFAOYSA-N 408.520 3.587 0 50 HHAA Cc1ccc(C)c(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 817264 ADVRLKPJSGUHSD-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 982591 MNQBABZUJMUNLR-UHFFFAOYSA-N 404.271 3.736 0 50 HHAA Cc1ccc(C(=O)NC(=S)N(C)C2CCCCC2)cc1I 1003896 VEPCWKUMITVOBA-UHFFFAOYSA-N 416.328 3.879 0 50 HHAA CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2cc1OS(C)(=O)=O 2283341 XTDNQWUJXUFFCO-UHFFFAOYSA-N 401.465 3.971 0 50 HHAA CCn1nc(CCC(C)C)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2356142794 IHIMZPPQDYXQMR-YADHBBJMSA-N 412.534 3.699 0 50 HHAA COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@](C)(O)C2 4212127 ZWRRJEICIPUPHZ-MYODQAERSA-N 416.470 3.602 0 50 HHAA biogenic,in-man COc1ccc([C@H](NC(=O)CC2(n3cccc3)CCOCC2)C(C)C)cc1OC 409414305 PBDNRZGJJCHOCY-JOCHJYFZSA-N 400.519 3.915 0 50 HHAA biogenic O=C(N[C@@H](Cc1ccc(CO)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2243992 FXOZFJQSHVZWCN-QHCPKHFHSA-N 417.461 3.713 0 50 HHAA CS[C@@H](C)C(=O)Nc1nn(-c2cccc(F)c2)c2cccc(OCCN(C)C)c12 77488859 JPHXFZPCQYATSV-AWEZNQCLSA-N 416.522 3.795 0 50 HHAA CSc1cccc(NC(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)c1 72139301 BOTGZTROBGYZJF-UHFFFAOYSA-N 400.552 3.731 0 50 HHAA COC(=O)c1cc(C)sc1NC(=O)CSc1nnc(-c2csc(C)c2)n1C 17093235 MDCPEICBQQROQE-UHFFFAOYSA-N 422.557 3.739 0 50 HHAA CCCc1sc(NC(=O)[C@@H]2CC(=O)N(CC)C2)nc1-c1ccc(OCC)cc1 1940195960 YOXRCCMVDFWOJA-OAHLLOKOSA-N 401.532 3.968 0 50 HHAA CN(Cc1cc(-c2ccccn2)no1)Cc1ccccc1OCC(=O)N1CCCCC1 952985685 XPXYCKVHJIACTE-UHFFFAOYSA-N 420.513 3.760 0 50 HHAA C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)o1 170672718 VRCWFFKZJGIMTG-YWZLYKJASA-N 424.497 3.911 0 50 HHAA C[C@@H]1CCCN(C(=O)C2CCN(C(=O)[C@H](C)Cc3cncc4ccccc34)CC2)C1 408516421 PEHDUSHCEMIYAI-RTBURBONSA-N 407.558 3.911 0 50 HHAA Cc1cc(C(=O)N2CCCN(c3nc4ccccc4s3)CC2)c2c(C)nn(C)c2n1 1506407830 YZUBXELIYPYXHT-UHFFFAOYSA-N 420.542 3.547 0 50 HHAA CN(CC(=O)Nc1nnc([C@@H]2CCCO2)s1)Cc1csc(-c2cccs2)n1 1506400161 IPRYOUFTAGXFJP-LBPRGKRZSA-N 421.573 3.645 0 50 HHAA C[C@H]1Oc2ccccc2C=C1/C=c1/sc2nc(-c3ccccc3Cl)nn2c1=O 628897 LZVOXOXWRFVDSF-MBNTZHJCSA-N 407.882 3.835 0 50 HHAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)Cn1c(C)cc(=O)c2ccccc21 1529133715 DPMMKZDGUDWFLM-UHFFFAOYSA-N 416.481 3.666 0 50 HHAA O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCCc1nc2ccccc2[nH]1 11784462 HEQYYANXANZUHK-HSZRJFAPSA-N 424.932 3.547 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CNC[C@H]2COCCO2)cc1F 11873727 BTBLIKKXXRBIQG-IBGZPJMESA-N 411.477 3.500 0 50 HHAA Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2ncnc(NCCN3CCCCC3)c12 12078231 YFCUHPGYTIQZHB-OAHLLOKOSA-N 401.580 3.770 0 50 HHAA COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)Cc3cccc(F)c3)C2)c1 12160455 CVOAOQCJMOPJKN-DENIHFKCSA-N 410.489 3.530 0 50 HHAA O=C(Nc1ccc(Cl)cn1)c1ccccc1OCC(=O)N1CCc2ccccc21 16193300 IYSWMZZPIYQKMN-UHFFFAOYSA-N 407.857 3.955 0 50 HHAA Cc1cc(CN[C@@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)on1 19742401 DTUJLPRLHUCRPQ-MRXNPFEDSA-N 412.559 3.982 0 50 HHAA COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccc(F)cc4Cl)C3)[nH]n2)cc1 169754307 HCIIWPDFKSMOGL-HNNXBMFYSA-N 414.868 3.887 0 50 HHAA O=C(N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)C1(c2ccc(Cl)cc2)CCCCC1 1857703903 VYKJXKXHSYPRAZ-QHAWAJNXSA-N 402.966 3.910 0 50 HHAA O=C(O)[C@@H]1CN(Cc2cnc(-c3cccc4ccccc34)nc2)CC12CCOCC2 1857706840 SOWPIRGXCDKUOD-NRFANRHFSA-N 403.482 3.610 0 50 HHAA Cc1cc(CC(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)on1 1857709909 XPNWUHNGBPCPAQ-OAQYLSRUSA-N 411.546 3.624 0 50 HHAA COc1ccc2c(C)c(C(=O)N3CCC[C@@]4(CCc5cnc(N(C)C)nc54)C3)oc2c1 1704297689 DYQSCNWLDDULSO-XMMPIXPASA-N 420.513 3.726 0 50 HHAA CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1C[C@H]1CCCO1 1059392 FCUQLKSURITWOG-CQSZACIVSA-N 413.543 3.989 0 50 HHAA Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3n2)cc1 2306628 XURXATCGUFCGSN-UHFFFAOYSA-N 405.458 3.995 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1cccnc1 2522383 SDEKNHALFBJPCB-UHFFFAOYSA-N 403.895 3.753 0 50 HHAA Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 2884130 ZRNOIKWBMPPDGI-GOSISDBHSA-N 416.543 3.966 0 50 HHAA COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 4869899 DWEKKCYEXJVMQR-ZDUSSCGKSA-N 401.850 3.791 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 5102755 GRJMNZGYJMIQKC-UHFFFAOYSA-N 407.797 3.947 0 50 HHAA Ic1ccccc1-c1nn2c(-c3ccccn3)nnc2s1 10312372 CAMFXZZTRDFOAX-UHFFFAOYSA-N 405.224 3.519 0 50 HHAA Cc1ccc2[nH]c(C3CCN(C(=O)c4cn(Cc5ccc(F)cc5)nn4)CC3)nc2c1 11664115 NFDVPQAJTROOIT-UHFFFAOYSA-N 418.476 3.670 0 50 HHAA COc1cccc(CNCC[C@H]2CCC(=O)N2Cc2nc3ccc(Cl)cc3[nH]2)c1 11789702 IGQVLXGDVLGBOG-QGZVFWFLSA-N 412.921 3.896 0 50 HHAA COc1ccc2nc(N3CCC[C@@H]3C(=O)NCCCc3ccccc3)nc(C)c2c1 12184796 QRPLNMGTBKHALG-JOCHJYFZSA-N 404.514 3.665 0 50 HHAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)nn1 12211808 NSELWRHEZMOQOW-QGZVFWFLSA-N 409.456 3.616 0 50 HHAA O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)C1(N2CCCCC2)CCCCC1 12305821 JKVXLAWMRNYIDF-HXUWFJFHSA-N 407.562 3.950 0 50 HHAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 12317565 PMMGQKJGKHNFPY-XMMPIXPASA-N 421.497 3.818 0 50 HHAA Cc1c(CN2CCC(CCC(=O)N3CCOCC3)CC2)[nH]c2ccc(Cl)cc12 12456355 JFFMXSWFYFCALP-UHFFFAOYSA-N 403.954 3.981 0 50 HHAA CCC(CC)N(CCc1ccccc1)C(=O)C1CCN(C(=O)[C@@H]2CCCO2)CC1 55119633 VRJJQLAIRGCXQC-QFIPXVFZSA-N 400.563 3.664 0 50 HHAA COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)C(=O)C2)cc1OC 72454167 RAKAUAAYKNILMR-UHFFFAOYSA-N 405.498 3.501 0 50 HHAA COc1ccccc1-c1noc(-c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)n1 169758226 ROCMEEFHQDDISN-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA Cc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 245311693 QKSJXJAQBNLTGE-BGJPATFMSA-N 402.494 3.576 0 50 HHAA CN(Cc1cccnc1)C[C@@H]1CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 252488784 IYXKAUUZZZYFJN-FQEVSTJZSA-N 404.599 3.871 0 50 HHAA C=CS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 253387898 KGWSQGUVJUGIPF-UHFFFAOYSA-N 413.503 3.973 0 50 HHAA Cc1nnc(SCCCNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)s1 299786723 PSVPPNPRENZEJN-KSZLIROESA-N 402.589 3.671 0 50 HHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1cn2c(C)cccc2n1)C3 299799661 UKVJGNBEYZUAMN-INIZCTEOSA-N 421.570 3.861 0 50 HHAA CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)c1 729420250 DQVRQSNBBSEBGD-KRWDZBQOSA-N 422.497 3.500 0 50 HHAA O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 888088829 SQXVFVPFHVOKLL-NKKJXINNSA-N 417.553 3.764 0 50 HHAA COc1cc(CN(C)C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)sn1 1304118713 KXNDNMMDHXGBPN-UHFFFAOYSA-N 412.393 3.713 0 50 HHAA CN(C)CC1(CO)CCN([C@@H](C(=O)O)c2ccc3sc4ccccc4c3c2)CC1 1506399393 MXPJTYHSRKKXBV-OAQYLSRUSA-N 412.555 3.816 0 50 HHAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3ccc(OCc4ccccc4F)cc3)C[C@@H]2CC1=O 1529144119 MJOMVIJRFFJNSP-HSALFYBXSA-N 410.489 3.734 0 50 HHAA CCOc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc1OCC 1704357015 NUXXQHDQLYBKBU-DENIHFKCSA-N 420.509 3.708 0 50 HHAA COc1cc(-c2nc(-c3cccc(O)c3)[nH]c2-c2oc(C)cc(=O)c2O)ccc1O 1857526769 XLYPKOSFUQFVOX-UHFFFAOYSA-N 406.394 3.798 0 50 HHAA O=C(N[C@H]1COc2cccc(F)c21)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1875258728 AMLRLHSUXGIAQK-HNNXBMFYSA-N 409.383 3.706 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(=O)[nH]c(O)nc23)cc1OC 809507 ODAZQJHWRPTZTO-UHFFFAOYSA-N 423.372 3.941 0 50 HHAA O=C(c1ccc(F)cc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 893201 DZOXKBWYZQJZJC-UHFFFAOYSA-N 402.469 3.942 0 50 HHAA Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(Cl)cc2)cc1 1167260 ZYSNZAHLHRYOLQ-VKJFTORMSA-N 412.795 3.752 0 50 HHAA CCc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@H]2C1=O 1195450 VKOUJLZCQHFUKH-AYIBLLACSA-N 409.485 3.792 0 50 HHAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)cc1 6139262 ZJKNMGRTICSHDN-UHFFFAOYSA-N 415.902 3.774 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc4ncccc4c3)C[C@H]2CCO)c(C)c1C 107100324 JWIVIFIBHNJUJD-XMMPIXPASA-N 419.569 3.929 0 50 HHAA Cc1nc2ccc(N3CCC(N4CCCC4)CC3)c(Cl)c2n1C1CCNCC1 55167954 BZMQWZSQFCSFGN-UHFFFAOYSA-N 401.986 3.987 0 50 HHAA O=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)[C@H]1CCc2c[nH]nc2C1 463651934 WAYVBZIWPGEDPN-IBGZPJMESA-N 414.509 3.675 0 50 HHAA COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1C=C2 22340969 CJTGFJOJBJVUDN-UHFFFAOYSA-N 407.470 3.736 0 50 HHAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCCn1ccnc1 5988073 PDQGGZCMELBGMB-UHFFFAOYSA-N 400.529 3.775 0 50 HHAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)n1 72441899 GKZONTHZNHMYAO-UHFFFAOYSA-N 407.440 3.636 0 50 HHAA O=C1CN(C(=O)CCO)[C@H](Cc2ccccc2)CN1c1ccccc1-c1ccccc1 77406509 XMAKAXUZANENQD-JOCHJYFZSA-N 414.505 3.523 0 50 HHAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)[C@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 241231063 KRQYRPUMPHQIET-SSZAXIJOSA-N 405.542 3.961 0 50 HHAA Cc1ccc(CNC(=O)[C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)o1 82120109 FHOYVOMGUMPNAW-QFIPXVFZSA-N 409.574 3.623 0 50 HHAA O=S(=O)(c1ccc(Cl)s1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 17082117 PUIKAFGCEJNGPC-UHFFFAOYSA-N 400.997 3.677 0 50 HHAA CCOc1cc(C)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C 231429688 POXVPPQKZVMYNF-UHFFFAOYSA-N 402.560 3.830 0 50 HHAA Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)CC2)c(C)c1 239173617 OHIHFIOKVVHIOU-PQQGQAHPSA-N 418.537 3.854 0 50 HHAA COCCOC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1 239025503 BSKKRBUOSLLMFA-IOMROCGXSA-N 407.466 3.563 0 50 HHAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 780410654 DDIXXXVTYNRNHT-JTDSTZFVSA-N 406.548 3.585 0 50 HHAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2cccc(N3CCOCC3)c2)c1C 11665118 DYNKKXOBHWCMIW-GOSISDBHSA-N 404.514 3.817 0 50 HHAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C3Cc4ccccc4C3)CC2)cc1 11879147 UCCZGSRIQOPADD-UHFFFAOYSA-N 416.525 3.948 0 50 HHAA O=C(CCC1CCN(C(=O)CSc2ccccn2)CC1)NCc1ccc(F)cc1 12319141 LGKFVNQILSCZSV-UHFFFAOYSA-N 415.534 3.648 0 50 HHAA Cc1ccc(C)c(CN2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)c1 12576127 MRRGJDSEFUJORT-UHFFFAOYSA-N 408.542 3.819 0 50 HHAA O=C(NC[C@H]1CCCN(Cc2ccc3nonc3c2)C1)c1cccc(C(F)(F)F)c1 12594516 YUXXKZDJCVKSPZ-OAHLLOKOSA-N 418.419 3.884 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1)c1ccccc1Cl 14879175 KELZWDZTVWBLSN-INIZCTEOSA-N 402.878 3.517 0 50 HHAA CN1CCN(C(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)CC1 16399625 XHPAQNUACPCRIW-UHFFFAOYSA-N 420.460 3.952 0 50 HHAA CCN1c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2C(=O)N2CCCCC[C@H]21 169780597 MKPJVNNHUJQUOO-QFIPXVFZSA-N 421.497 3.892 0 50 HHAA COc1cc(CN2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)ccc1F 1857727299 NZHUNEXUNNUKPY-DEOSSOPVSA-N 420.488 3.872 0 50 HHAA CC(C)=CC[C@]1(C(=O)NCc2cnn(C)c2)C[C@H]2CC[C@@H]1N2C1Cc2ccccc2C1 1704311317 FGKJHJAQUVATKS-CWDLOFLHSA-N 418.585 3.783 0 50 HHAA COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c1 862453 QSUIKFHFKINVJB-GOSISDBHSA-N 417.918 3.789 0 50 HHAA O=C(O)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 1517346 QTYKQUZAELQIIZ-QGZVFWFLSA-N 401.260 3.992 0 50 HHAA Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)NCC(=O)c1ccccc1 2815572 TYTVRBBXYXTJAT-UHFFFAOYSA-N 413.886 3.791 0 50 HHAA O=C(Nc1ccc(C(=O)NCc2c(C(=O)O)sc3ccccc23)cc1)NC1CC1 2325743535 QEXGILIVIRXXHM-UHFFFAOYSA-N 409.467 3.813 0 50 HHAA C[C@@H](OC(=O)c1ccc(=O)n(-c2ccc(F)cc2)c1)C(=O)c1c(F)cc(F)cc1F 2325747529 FHMCMLFHAIUTME-LLVKDONJSA-N 419.330 3.822 0 50 HHAA C[C@H](Sc1ccccc1)C(=O)N=S1(=O)C[C@H]2C[C@@H](CN(C(=O)C(C)(C)C)C2)C1 2332238149 ASEMVFVWYPZRJZ-ULQDDVLXSA-N 422.616 3.686 0 50 HHAA COc1c(C(N)=O)cc2ccccc2c1-c1c(OC)c(C(N)=O)cc2ccccc12 638851 MCHVVFIDNIOENF-UHFFFAOYSA-N 400.434 3.875 0 50 HHAA COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)c1OC 644377 YOLZNZVZZJWCSY-IBGZPJMESA-N 411.527 3.752 0 50 HHAA Cc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 1207157 KIKJEEAILIJDRK-UHFFFAOYSA-N 404.507 3.778 0 50 HHAA O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)CCC1=O 2891181 DZKWRYRNICKKAN-UHFFFAOYSA-N 421.678 3.809 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccccc2)cc1 2963000 CPVZXNNTJFCWHT-SFHVURJKSA-N 424.522 3.768 0 50 HHAA N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)S1 5092979 LKDVWCLCJBPWOZ-ZROIWOOFSA-N 403.257 3.807 0 50 HHAA CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1F 5637866 VDINCFJGBXOVQC-UHFFFAOYSA-N 406.479 3.651 0 50 HHAA CN1C(=O)N[C@@H](c2ccc(Br)cc2)C2=C1CN(c1ccc(F)cc1)C2=O 9253796 YUQCIQGZSYIOPW-KRWDZBQOSA-N 416.250 3.585 0 50 HHAA Cc1ccc2c(c1)cc(CNCc1cnn(C)c1C)c(=O)n2Cc1ccccc1C 11782942 MJINAAVVAZJORJ-UHFFFAOYSA-N 400.526 3.998 0 50 HHAA COC(=O)c1cc(CNC(=O)Cc2ccccc2F)cc(NC(=O)c2ccccc2)c1 12181911 LOTZRQDYNCXFPD-UHFFFAOYSA-N 420.440 3.724 0 50 HHAA CC1=C(CCN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)C(C)(C)CCC1 12207546 CJSOHVOLQJZLEQ-UHFFFAOYSA-N 413.610 3.512 0 50 HHAA O[C@@H](COc1ccccc1CNC12CC3CC(CC(C3)C1)C2)CN1CCSCC1 12705397 CCUVHGMOYRDOLW-GPUVRGFBSA-N 416.631 3.534 0 50 HHAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 15077061 QGPYDPUQHYABSP-LJQANCHMSA-N 423.948 3.508 0 50 HHAA COc1cc(CN2CCC[C@H](N3CCC(CO)CC3)C2)ccc1OCc1ccccc1 19839769 DRBLXCQFBOZDIA-DEOSSOPVSA-N 424.585 3.943 0 50 HHAA Cc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cc(Cl)ccc3n2)s1 20407527 PJCYENSPZYBMGZ-UHFFFAOYSA-N 415.946 3.987 0 50 HHAA Cc1cccc(CNC(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C(C)C)n1 20917979 OKWHGRGFZOOPEC-UHFFFAOYSA-N 402.458 3.679 0 50 HHAA O=C1C[C@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccccc1Cl 22118204 OUBVVHMXOBEPFG-IBGZPJMESA-N 408.889 3.728 0 50 HHAA COc1ccccc1Cn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396564 FCEUWRVAQLQKKG-UHFFFAOYSA-N 400.413 3.907 0 50 HHAA O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(Cc3ccccc3F)CC2)C1 82107187 SJBCSPYSNIUPRR-HSZRJFAPSA-N 423.576 3.861 0 50 HHAA C[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)c1)C(=O)c1ccccc1 101225785 DRCFSQJNAJGGFF-AFMUBRCDSA-N 417.461 3.816 0 50 HHAA C[C@@H](NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 221958919 UCPUWLAPRNNDTK-VNISKJAJSA-N 415.574 3.582 0 50 HHAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(C(N)=O)c1 261456156 ZJMZEPWGAVIQMD-ZTFGCOKTSA-N 423.488 3.647 0 50 HHAA O=C(c1ccc(O)cc1O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 436663633 HUJTTWXQUPSBKP-UHFFFAOYSA-N 400.784 3.732 0 50 HHAA O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(OCc2cccnc2)cc1 728496002 KJFYSFBUTXRWPD-UHFFFAOYSA-N 402.406 3.785 0 50 HHAA O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCN(c2cccc(F)c2)CC1 781617759 GFTWBTBWPDLBCP-UHFFFAOYSA-N 401.445 3.522 0 50 HHAA COc1ccc(-c2ccnc(C3CCN(C(=O)[C@@H]4C[C@H]5CCCCN5C4)CC3)n2)cc1 952892064 DRXJOMLPUKSDAA-NHCUHLMSSA-N 420.557 3.733 0 50 HHAA Cc1cc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)c(-n2cccc2)s1 1447214570 ZYXVKISUABPLOX-KRWDZBQOSA-N 423.538 3.944 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Br)cc2)cc1 708970 ICKUVOQMQKNJFV-QGZVFWFLSA-N 416.275 3.724 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CC[C@@H](C)C2 715864 BGRJRYTTXMAGDM-WBMJQRKESA-N 401.484 3.828 0 50 HHAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(Br)c1 846792 OKXPEJIOPSPJKS-UHFFFAOYSA-N 408.292 3.810 0 50 HHAA CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 949716 PPTOXCZVXFRHLM-INIZCTEOSA-N 401.257 3.908 0 50 HHAA COc1ccccc1[C@@H]1CC(=O)N(c2cccc(Br)c2)C2=C1C(=O)OC2 1427649 RVHFRNZWHBGGRI-HNNXBMFYSA-N 414.255 3.789 0 50 HHAA CC[C@H](C)c1ccc(S(=O)(=O)N(C)Cc2c(Br)cnn2CC)cc1 20608245 IEONWTLFVJYWFW-ZDUSSCGKSA-N 414.369 4.000 0 50 HHAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(Cc2ccc(S(C)(=O)=O)cc2)C1 91906464 SOGODJQLVCPGFU-QFIPXVFZSA-N 401.528 3.664 0 50 HHAA CC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 22752568 HQEIMNPTVCVBEJ-UHFFFAOYSA-N 420.340 3.952 0 50 HHAA O=c1c2cc(-c3cccs3)nn2ccn1C[C@H](O)c1cccc(Br)c1 263617712 PHAAWGIDEBHGFO-INIZCTEOSA-N 416.300 3.721 0 50 HHAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc(C(=O)OC)cc1 263585443 IQIXLLYUCWLZAW-PZJWPPBQSA-N 417.550 3.608 0 50 HHAA biogenic CN1CCN(C2(CNC(=O)C[C@@H](c3ccccc3)c3ccco3)CCCCC2)CC1 823789329 CXYUMJOILHEQLY-QFIPXVFZSA-N 409.574 3.868 0 50 HHAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2ccc(-c3nnn(C)n3)cc2)c1 952989520 RRAPWSKHFMIESP-UHFFFAOYSA-N 404.474 3.567 0 50 HHAA COC(=O)[C@H](NCc1nc(O)c2c(-c3ccccc3Cl)csc2n1)C1CC1 1459951574 KXVHUBXJHYMOHJ-MRXNPFEDSA-N 403.891 3.759 0 50 HHAA Cc1cc(F)ccc1N1CCC(NCCN2N=C(c3ccccc3)CCC2=O)CC1 1506408737 ZTABAEPGWXWBKO-UHFFFAOYSA-N 408.521 3.719 0 50 HHAA COc1ccc(NC(C)(C)C(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)cc1 1704341995 BBXFIGWUYSHAPZ-UHFFFAOYSA-N 424.541 3.985 0 50 HHAA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 5101179 MOTMVXLFBMXYGN-KBPBESRZSA-N 403.431 3.946 0 50 HHAA OCC1(CCOc2ccccc2)CCN(Cc2cnc(N3CCCC3)s2)CC1 11873532 LSZKXUYLQHIXDD-UHFFFAOYSA-N 401.576 3.787 0 50 HHAA CCCCc1nc(CN2CCOc3ccc(CN4C[C@H](C)O[C@H](C)C4)cc3C2)c[nH]1 12246420 DJCUQDJEZSGFMH-KDURUIRLSA-N 412.578 3.756 0 50 HHAA O=C(CCc1nnc(CCCCc2ccccc2)o1)N(CCO)Cc1ccccc1 12373145 HAFQGRPODKTXCD-UHFFFAOYSA-N 407.514 3.589 0 50 HHAA Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)Cc2ccc3c(c2)OCO3)n1C 12450095 SVPVWDWDZQHCHR-OAHLLOKOSA-N 424.526 3.564 0 50 HHAA COc1ccc(CCN2CCC(CN(C)C(=O)c3ccc4nccnc4c3)CC2)cc1 12612616 WDVXCQYCZYNOEK-UHFFFAOYSA-N 418.541 3.665 0 50 HHAA Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)s1 14958074 ZCSIBTOEAUYAHZ-GOSISDBHSA-N 423.586 3.516 0 50 HHAA Fc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Br 19536750 JBNWLPUVYVVFRJ-UHFFFAOYSA-N 407.283 3.635 0 50 HHAA COc1ccc([C@H](C)NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 169772531 LFSDTORJIHKHET-ZDUSSCGKSA-N 408.424 3.598 0 50 HHAA COc1ccc([C@@H]2[C@@H](c3nc(CC(C)C)nn3C(C)C)OCC(=O)N2C2CC2)cc1 2100482898 FOQXOYMOQSGKSY-YADHBBJMSA-N 412.534 3.870 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 665530 NLJCGJLSDMEDSH-UHFFFAOYSA-N 424.478 3.801 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 1118052 LEYJSLSOBKSRRG-UHFFFAOYSA-N 418.902 3.761 0 50 HHAA COC(=O)c1ccccc1NC(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C 2855741 UNXCDWSVRPDGOQ-UHFFFAOYSA-N 418.803 3.862 0 50 HHAA CCn1cc(-c2nnc(SCC(=O)NCc3ccccc3)n2C)c2ccccc21 4758685 FKQWZFBNHBCXLH-UHFFFAOYSA-N 405.527 3.865 0 50 HHAA CCCCC1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 5028185 ITZOIYWWMBKVBW-UHFFFAOYSA-N 408.564 3.643 0 50 HHAA Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)s1 6806181 DIRDJOOUMUROHD-QGZVFWFLSA-N 413.522 3.618 0 50 HHAA Cc1ccccc1CCN1CCC(CN(C(=O)c2cc[n+]([O-])cc2)C2CCCC2)CC1 12457117 LUGMEQBYAIBJCW-UHFFFAOYSA-N 421.585 3.968 0 50 HHAA COc1ccc(CCNC(=O)c2cc(COc3c(F)cccc3F)on2)c(OC)c1 12715918 NVEGCQQMARGDQV-UHFFFAOYSA-N 418.396 3.522 0 50 HHAA O=C(NCCc1ccccc1)c1cccc(OC2CCN(Cc3ccon3)CC2)c1 14949369 OEFPIIFMSXVRKW-UHFFFAOYSA-N 405.498 3.691 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3cnc(N(C)C)s3)C2)c1 14961042 IZBICCOGCANHEQ-KRWDZBQOSA-N 416.591 3.526 0 50 HHAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1OC 14980164 FTUICHASAHRRDU-HXUWFJFHSA-N 414.468 3.861 0 50 HHAA Cc1cc(S(=O)(=O)N2CCC(CO)(CCOc3ccccc3)CC2)c(C)s1 19771088 NDIXDFRLKQFNOB-UHFFFAOYSA-N 409.573 3.597 0 50 HHAA COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@@H](C)Cc2cc(C)ccn2)CC1 20450718 MYJMDHNEGYCHGR-SFHVURJKSA-N 423.557 3.765 0 50 HHAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)n1 21795200 DNWDKFDBOQJLHD-UHFFFAOYSA-N 408.550 3.746 0 50 HHAA C=Cc1ccc(C(=O)N2CCC([C@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1 23145393 OJLVLJBLGNNZAE-QHCPKHFHSA-N 423.538 3.754 0 50 HHAA Cc1ccc(NC(=O)c2nc(Cl)cs2)cc1S(=O)(=O)N1CCCCCC1 225715290 STPOOKKOGPSJBS-UHFFFAOYSA-N 413.952 3.922 0 50 HHAA COCCC1(CNC(=O)NCc2noc(-c3cccc(Br)c3)n2)CCC1 253425632 VLINVOMSPLVSLQ-UHFFFAOYSA-N 423.311 3.505 0 50 HHAA CNC(=O)c1cc2cc(NS(=O)(=O)c3ccccc3-c3ccccc3)ccc2[nH]1 475827893 DAGSTGZLQUHYDA-UHFFFAOYSA-N 405.479 3.995 0 50 HHAA CCOc1ccc(C2(CNC(=O)[C@H](O)c3ccc(Cl)cc3)CCOCC2)cc1 813420982 OYZMCCRLCYWRCY-HXUWFJFHSA-N 403.906 3.637 0 50 HHAA COc1ccc([C@@H](CC(=O)NCCCN(C)C)c2ccc3cccnc3c2O)cc1 1776111330 PFAZCYJCTFGGOW-OAQYLSRUSA-N 407.514 3.539 0 50 HHAA CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3ncccn3)cc2)c1 1875380426 OOVMSGVJMRSIKT-XBXARRHUSA-N 416.485 3.529 0 50 HHAA Cn1c(=O)ccc2c(NC(=O)N[C@@](C)(CO)c3cc(Cl)cc(Cl)c3)cccc21 2325860582 LZSNVISPDSTHBA-FQEVSTJZSA-N 420.296 3.875 0 50 HHAA COC(=O)c1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)c1 944141 BIEQUPPDMLOIFM-UHFFFAOYSA-N 424.247 3.514 0 50 HHAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1126974 ORRMVZCKVCCKCN-UHFFFAOYSA-N 413.451 3.832 0 50 HHAA CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc4ccccc4c(C(=O)O)c3C2)cc1 2922969 PAFBBADCGWSHOH-UHFFFAOYSA-N 424.522 3.978 0 50 HHAA CCn1c(SCc2nc(-c3ccc(OC)c(OC)c3)no2)nnc1-c1ccco1 4832553 XMCQFSOEQMJJCE-UHFFFAOYSA-N 413.459 3.918 0 50 HHAA O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(-c2ccccc2)cc1 4844650 MPIGMUOCQLDNCP-XMMPIXPASA-N 411.505 3.808 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1OC 4877422 BBDQPNNLODBQDW-UHFFFAOYSA-N 418.515 3.567 0 50 HHAA CCNc1c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(=O)oc2ccccc12 6784774 LTDXBPSRJVIODS-UHFFFAOYSA-N 408.863 3.688 0 50 HHAA CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)NC3CCCCCC3)cc2NC1=O 6867626 FHKKXMYDZACFLR-KRWDZBQOSA-N 424.588 3.512 0 50 HHAA c1ccc(COc2ccc(CN3CCc4nnc([C@H]5CCCO5)n4CC3)cc2)cc1 23153255 LJTLBABWAHGEPL-JOCHJYFZSA-N 404.514 3.767 0 50 HHAA COCc1ccc(CN2CCOc3ccc(CN4CCC[C@H](COC)C4)cc3C2)o1 12454058 PTZCBTQBEPOFFK-FQEVSTJZSA-N 414.546 3.679 0 50 HHAA O=C(COc1ccccc1Cl)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 11668003 HHQRYPZVIJBNFM-MRXNPFEDSA-N 402.878 3.593 0 50 HHAA COc1cc(/C=C/C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)ccc1OC(C)C 1459505 CBGJFXUCJGANLK-YRNVUSSQSA-N 410.449 3.913 0 50 HHAA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(=O)N(C)Cc1csc([C@H](C)OC)n1 328606438 RNKJZUOWBUMHPW-KPFBPEDLSA-N 402.516 3.558 0 50 HHAA CCn1cc(CNC(=S)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)c(C)n1 6145011 TWBHJZBUCBYZKJ-LLVKDONJSA-N 406.577 3.671 0 50 HHAA C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 435192564 QXSUWEFMFBMIEM-AWEZNQCLSA-N 421.544 3.517 0 50 HHAA COC(=O)c1ccc(C)c(NC(=O)CN(C)[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 241930298 UHKWHLBHIMFQGW-AUSIDOKSSA-N 423.557 3.563 0 50 HHAA COc1cccc(CN(C(=O)Cn2cnc(Cl)n2)C23CC4CC(CC(C4)C2)C3)c1 242302296 YRELSLUTBWWMKN-UHFFFAOYSA-N 414.937 3.938 0 50 HHAA COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 139894849 ODAQEXPEXRLXOF-BHDDXSALSA-N 400.434 3.746 0 50 HHAA Cc1cccc2cc(CN(CCN(C)C)C(=O)c3ccc(F)cc3)c(N(C)C)nc12 20572925 MXNILFPTRPSODF-UHFFFAOYSA-N 408.521 3.952 0 50 HHAA C[C@H]1Cc2ccccc2N1C(=O)c1cn(C)nc1C(=O)N1c2ccccc2C[C@H]1C 20616701 XRYGJMJPEGZMTI-JKSUJKDBSA-N 400.482 3.603 0 50 HHAA CN(Cc1cnc(NCc2ccccc2)nc1)CC1(N2CCOCC2)CCCCC1 823683754 PHWQPLMUOCJKKG-UHFFFAOYSA-N 409.578 3.556 0 50 HHAA CCCCN(CC)CCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1 5042715 ULHIHIIDLKVYRC-UHFFFAOYSA-N 420.575 3.804 0 50 HHAA COc1ccc(CNCc2ccc(Cl)s2)cc1OC[C@H](O)CN1CCCC1 11814813 SEVBAMMHJRMSPD-MRXNPFEDSA-N 410.967 3.535 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)CSc3nc(C)cs3)C2)cc1F 11815968 JPMZTGJAVNBGQX-CQSZACIVSA-N 408.520 3.813 0 50 HHAA COC(=O)c1ccc(CN2CCN([C@H](C)CCc3ccc(OC)cc3)CCC2=O)cc1 11909246 IYDGCZIUUHIJQP-LJQANCHMSA-N 424.541 3.537 0 50 HHAA Cc1ncoc1C(=O)NCc1nc(-c2cccc(NC(=O)c3ccccn3)c2)oc1C 12022645 IFCYXOSMKYCEOH-UHFFFAOYSA-N 417.425 3.524 0 50 HHAA CC[C@H](C)CN1CCC([C@]2(CC)NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 12042930 BAZWGHSDSGSGLF-UUOWRZLLSA-N 415.578 3.696 0 50 HHAA CC(=O)Nc1cccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c1 12093296 MQSGBXKYLGZAAP-FQEVSTJZSA-N 411.521 3.811 0 50 HHAA Cc1ncoc1C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 12448834 IDKGDGYPRXDDOB-UHFFFAOYSA-N 406.442 3.661 0 50 HHAA CO[C@H](c1ccccc1)c1nnc(CCC(=O)NCc2csc(C(C)C)n2)o1 19740077 QPBPFASPNHCMKZ-GOSISDBHSA-N 400.504 3.634 0 50 HHAA Cn1cncc1C(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857706114 AKOGUSVSLMOUMM-OAQYLSRUSA-N 410.562 3.522 0 50 HHAA O=C(Cc1c[nH]c2ccccc12)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 2325716337 WQGVHKXOVFFGDK-UHFFFAOYSA-N 402.420 3.863 0 50 HHAA Cn1ncc(NC(=O)c2ccc3c(Br)cnn3c2)c1Cc1ccccc1 2325840605 HZKIPZCYIQVCTA-UHFFFAOYSA-N 410.275 3.673 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ncc(C3CC3)s2)C(C)C)cc1C 2325861932 CZAHDAJYNDTZHQ-KRWDZBQOSA-N 407.561 3.579 0 50 HHAA COC(=O)c1cc(C)sc1NC(=O)[C@@]1(C)CC1(Br)Br 2753515 RHURXKNROIXSAY-LLVKDONJSA-N 411.115 3.678 0 50 HHAA CC(C)CNC(=O)c1ccc(NC(=O)N2CC(O)(c3ccc(F)cc3)C2)cc1Cl 225852388 WRPYWBRWNPIMNU-UHFFFAOYSA-N 419.884 3.600 0 50 HHAA Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cc2ccccc2o1 9426894 HAWYTFHQZPSJPV-UHFFFAOYSA-N 422.466 3.730 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1 20294593 JGUCXMRYILQGSW-HXUWFJFHSA-N 413.537 3.630 0 50 HHAA Cc1cc(-c2nn(-c3ccccc3F)cc2CNCCN2CCOCC2)c(C)s1 20210688 UFYCJLBTIBTFQX-UHFFFAOYSA-N 414.550 3.779 0 50 HHAA Cn1ncc(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1C(F)(F)F 436187500 PYVYZRCFDJFUCI-UHFFFAOYSA-N 411.405 3.819 0 50 HHAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)[C@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 241231062 KRQYRPUMPHQIET-RCNTUDHXSA-N 405.542 3.961 0 50 HHAA Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(O)cc4)N(c4ccccc4)O[C@H]3C2=O)c1 229958549 QFVMNMQOBFOZIG-BHDDXSALSA-N 400.434 3.752 0 50 HHAA CCc1cc(C(=O)OC)c(NC(=O)CSc2nnc(-c3ccoc3C)n2C)s1 17092265 RUWOIHDERYIFLE-UHFFFAOYSA-N 420.516 3.525 0 50 HHAA Cc1oc(-c2ccccc2NC(=O)[C@H]2CCCO2)nc1CNC(=O)c1ccsc1 299763870 GDMLCODTNPKGAU-GOSISDBHSA-N 411.483 3.759 0 50 HHAA Cc1cc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c2cc(Cl)ccc2n1 825573787 OYFCRDXZCXHHAQ-BXBLUCELSA-N 422.920 3.661 0 50 HHAA COC(OC)c1cc(I)nc(Cl)c1NC(=O)C(C)(C)C 66054177 MWUNRCWWDRWFGH-UHFFFAOYSA-N 412.655 3.616 0 50 HHAA in-vitro CC(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 221881490 ZDLNCDWZOBKCTH-WXNWJBHASA-N 411.927 3.842 0 50 HHAA CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNCCc2ccccc2)cc1 11956299 FBRJMWFDUKZIJT-VWLOTQADSA-N 404.554 3.891 0 50 HHAA CC(C)c1ccc(CN2CCC3(CC[C@H](CNC(=O)C4CCOCC4)O3)CC2)cc1 14888268 RUFUDJSQKBCXEU-HSZRJFAPSA-N 414.590 3.866 0 50 HHAA O=C(c1coc(COc2ccc3c(c2)OCO3)n1)N1CC=C(c2ccccc2)CC1 15074146 GVPJOOPEDBSHSP-UHFFFAOYSA-N 404.422 3.912 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1C 19790907 IDSPXTPRHQLSJC-NRFANRHFSA-N 400.588 3.794 0 50 HHAA COc1cccc(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)c3c[nH]c4ccccc34)C2)c1 1857693343 SHDQUFYZNPNYAE-QZTJIDSGSA-N 405.498 3.576 0 50 HHAA O=C(CCCc1cn[nH]c1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857696704 MEGONSXUUXNUPI-QHCPKHFHSA-N 424.589 3.831 0 50 HHAA O=C(c1ccc[nH]1)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857707080 YLRDQKHEDJXINC-FQEVSTJZSA-N 409.530 3.643 0 50 HHAA COC(=O)c1cn(C(=O)c2ccc(I)cc2)c2ccccc12 904109 WYKHIYGYPBAXMQ-UHFFFAOYSA-N 405.191 3.721 0 50 HHAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)c2c1 497458820 IJYOZNYFHDSTIO-YADARESESA-N 420.601 3.827 0 50 HHAA CCOc1ccc([C@H]2CCCN2C(=O)C[S@@](=O)Cc2nc3ccccc3[nH]2)cc1 1875320282 NZUSILLTURWINA-OLILMLBXSA-N 411.527 3.574 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CC[C@H](Sc3ccc(Br)cc3)C2)CC1 2325889138 AWPRZCDJDFOGRA-KRWDZBQOSA-N 423.376 3.567 0 50 HHAA COc1ccc(C(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 892987 BPXOUECSHDMKTK-UHFFFAOYSA-N 414.505 3.812 0 50 HHAA CCCc1nnc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)s1 904358 VKUPEDWROMQMAC-UHFFFAOYSA-N 410.499 3.713 0 50 HHAA O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 1004437 DCNNFHRHHUIODO-UHFFFAOYSA-N 410.326 3.957 0 50 HHAA COc1ccc(-n2c3c(cc(C(=O)Nc4ccc(Cl)cn4)c2=O)C(=O)CCC3)cc1 1137889 PYLDQRXZDKCHCJ-UHFFFAOYSA-N 423.856 3.666 0 50 HHAA CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccccc1 2836342 FPXQVQLQFLZIPQ-UHFFFAOYSA-N 407.706 3.906 0 50 HHAA Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 2837102 HIHLXGDICDBJBK-UHFFFAOYSA-N 424.522 3.534 0 50 HHAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCOc1cc(C)ccc1C(C)C 2996827 CPAITHGIZYENCB-HSZRJFAPSA-N 421.541 3.842 0 50 HHAA biogenic,in-vitro CCC[C@@]1(CO)CN(Cc2ccc(OC)c(OCc3cccc(F)c3)c2)CC[C@H]1O 2356168392 BDGWQZCRPMULJI-RPWUZVMVSA-N 417.521 3.759 0 50 HHAA O=S(=O)(CCc1ccc(C(F)(F)F)cc1)NCCc1cnn(-c2ccccc2)c1 225833510 SIPLAALZFUUWKN-UHFFFAOYSA-N 423.460 3.596 0 50 HHAA COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100885565 TXCVPJXFZGFUTA-USEHDAJUSA-N 422.868 3.912 0 50 HHAA COc1cc(CN2CCN(Cc3[nH]c4ccccc4c3C)C[C@@H]2CCO)cc(OC)c1 20535718 IRKBAFQWNKVDAQ-FQEVSTJZSA-N 423.557 3.562 0 50 HHAA CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)n1nc(-c2cc(C)ccc2C)ccc1=O 20095620 GSKIRQAZDDUDPS-NRFANRHFSA-N 419.481 3.904 0 50 HHAA Cc1ccc(C2(C(=O)N[C@H]3C[C@H](C)S(=O)(=O)c4sccc43)CCOCC2)cc1 428147467 DVSNVXMKTZCCFP-YJBOKZPZSA-N 419.568 3.528 0 50 HHAA CCCOC[C@@H]1C[C@@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 2109354 SYFVSULCXIZWHH-IWMITWMQSA-N 416.499 3.777 0 50 HHAA biogenic COC(=O)c1ccc(S(=O)(=O)Nc2cccc(COc3ccccc3)c2C)o1 476412527 SBXGLGDXLVRGJJ-UHFFFAOYSA-N 401.440 3.754 0 50 HHAA CN1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1=O 72423484 GJWSFTQTBFOXCK-UHFFFAOYSA-N 400.482 3.619 0 50 HHAA CC(=O)Nc1cccc(CNC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)c1 485363669 QIJRXBLUBJCIJE-UHFFFAOYSA-N 418.453 3.858 0 50 HHAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C[C@@H]3C=CS(=O)(=O)C3)cc12 77489346 MHJAPQVGADRXLB-INIZCTEOSA-N 412.486 3.847 0 50 HHAA Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C(N)=O)cc1 17081939 QCQKJJPWRYUPBD-HUUCEWRRSA-N 400.500 3.960 0 50 HHAA CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c2ccccc12 20573283 DZXYYDHZGLXGJX-UHFFFAOYSA-N 409.461 3.570 0 50 HHAA C[C@@H](NC(=O)c1ccc(N2CCCC2)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 952986512 GHBLGADAJSNJTE-CQSZACIVSA-N 406.935 3.835 0 50 HHAA CCCN(c1cc(C(F)(F)F)n[nH]1)S(=O)(=O)C1=Cc2ccccc2OCC1 170617335 SYXGZTXPDLYMDW-UHFFFAOYSA-N 401.410 3.798 0 50 HHAA CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)c3coc(C(N)=O)c3)ccc21 759773350 ZHQFUXCELRFNMP-CYBMUJFWSA-N 419.437 3.690 0 50 HHAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCC([C@@H](O)c2cccs2)CC1 1506406061 DKJUGPOASYQCEX-HXUWFJFHSA-N 407.919 3.687 0 50 HHAA Cc1nnc(N2C[C@H]3CN(Cc4ccncc4)C[C@@]3(CCc3ccccc3)C2)s1 1772813198 VFMAHMUIXMPFCY-GGAORHGYSA-N 405.571 3.813 0 50 HHAA Cc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 11706258 PRLKWGCKHYEYAG-HSZRJFAPSA-N 409.574 3.925 0 50 HHAA CC[C@H]1CN(CCNC(=O)c2c(F)cccc2Cl)Cc2cc(OC)ccc2O1 14994446 ZJLWOFPOEWNDFG-HNNXBMFYSA-N 406.885 3.891 0 50 HHAA CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)n[nH]1 15065838 BATPMYKPJUZJPZ-GOSISDBHSA-N 400.542 3.774 0 50 HHAA COc1ccc(-c2noc(CN3CCC[C@H](C(=O)CC(C)C)C3)n2)c(OC)c1OC 15066230 BFXUYORKMKJSSR-HNNXBMFYSA-N 417.506 3.590 0 50 HHAA CCCn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21 707680 MRIWNKKEISOZCQ-UHFFFAOYSA-N 403.467 3.735 0 50 HHAA O=C(c1cscn1)N1CC[C@]2(C1)C(=O)N(Cc1cccc(F)c1)c1ccccc12 2100482554 IDKHKKXYOLKBMX-JOCHJYFZSA-N 407.470 3.613 0 50 HHAA NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3 633407 GSOVHJCXAQZWQE-UHFFFAOYSA-N 405.932 3.557 0 50 HHAA O=C(COc1ccc(I)cc1)NCc1ccc2ccoc2c1 2325735866 ZUBKHLIABZNPGQ-UHFFFAOYSA-N 407.207 3.733 0 50 HHAA COC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)o1 1051539 KMQQCLXSEVLCIR-UHFFFAOYSA-N 417.874 3.831 0 50 HHAA C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1065501 AXFNKANPZKFQPO-KRWDZBQOSA-N 410.495 3.571 0 50 HHAA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1N1CCOCC1 1116624 VOUUIJYFNVSSOP-JXMROGBWSA-N 401.919 3.703 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 1157944 YMDFCZVPHCUWKM-UHFFFAOYSA-N 406.935 3.996 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Cl)c(OC)c(OC)c1 1169012 HGCKKFMSIKZJHO-SFHVURJKSA-N 416.861 3.686 0 50 HHAA COCCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 2103049 FQEMHIFJTTUACF-UHFFFAOYSA-N 419.499 3.700 0 50 HHAA CCCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)ccc1OC)C2 2492554 PYEYDJHUHJDFDQ-OAHLLOKOSA-N 415.486 3.836 0 50 HHAA CCN(CC)CCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1 2677404 JASBTVPFRWFJKZ-PGMHBOJBSA-N 413.949 3.877 0 50 HHAA COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCC(=O)O 2998480 XVBKJSXSFQISHJ-MFOYZWKCSA-N 417.414 3.534 0 50 HHAA CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OCC)cc1 3627068 OWSGKLQDGCLVRA-SFHVURJKSA-N 411.907 3.712 0 50 HHAA NC(=O)CSc1nnc(CSCc2ccccc2)n1-c1ccccc1Cl 6392896 HCBRQANFRQUIAD-UHFFFAOYSA-N 404.948 3.932 0 50 HHAA CSc1nccc(N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 11813762 JRXCWDASXOXZNO-CQSZACIVSA-N 406.502 3.790 0 50 HHAA COCC(=O)NC[C@@H]1CCC2(CCN(Cc3cccc(-c4ccccc4C)c3)CC2)O1 11814377 JDNUYZWOAJJNJN-QHCPKHFHSA-N 422.569 3.938 0 50 HHAA Cc1csc(CN(C)C(=O)c2sc3ncnc(NC[C@H]4CCCO4)c3c2C)n1 12124634 KBMNLBQWAJCHNW-CYBMUJFWSA-N 417.560 3.628 0 50 HHAA Cc1csc(-c2cc(C(=O)N(C)C[C@@H](O)c3ccccc3)cc(-n3cnnn3)c2)c1 12149515 MWFYAZPOBLWEDA-HXUWFJFHSA-N 419.510 3.505 0 50 HHAA COc1cccc(CN2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)c1 12386802 SPDZKADSAOYJMK-UHFFFAOYSA-N 408.498 3.928 0 50 HHAA O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 12704640 AFJFCDJMEYUTAN-NRFANRHFSA-N 408.546 3.509 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4ncoc4C4CC4)C3)C2)c1 14954126 ISFFNYAWFDTWES-HSZRJFAPSA-N 413.493 3.828 0 50 HHAA O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 19313429 URPAWXBJDSJWAY-SFHVURJKSA-N 422.287 3.587 0 50 HHAA O=C(NCCCN1CCOCC1)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 20540726 DIUMFEAQSBQYFS-UHFFFAOYSA-N 413.905 3.524 0 50 HHAA Cc1ccccc1CN1CCC([C@@]2(CCCc3ccccc3)NC(=O)NC2=O)CC1 20774358 RMYBZXHOWHEDJI-RUZDIDTESA-N 405.542 3.808 0 50 HHAA O=C(CN1Cc2ccccc2O[C@H](c2ccsc2)C1)NCc1nc2ccccc2[nH]1 42925985 QCJUKXLMXNVHFH-NRFANRHFSA-N 418.522 3.877 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)nn2)nc1 82230229 SAZNCCMNXXTUNO-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA COc1cccc(-c2cccc(NC(=O)C3CCN(C(=O)c4cn[nH]c4)CC3)c2)c1 95499589 OPTFVBIUVKZVFY-UHFFFAOYSA-N 404.470 3.576 0 50 HHAA COc1cc(OC)cc(C2=NN(C(=O)C(C)C)[C@H](c3ccc4nccnc4c3)C2)c1 170618976 FTAWJOCVUBYHEC-QFIPXVFZSA-N 404.470 3.981 0 50 HHAA COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CC[C@@H](C)OC 225738062 APYUNYLPTMYAGA-AEFFLSMTSA-N 406.523 3.631 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1c[nH]c2ccc(OC)cc12 252482780 DNOKDTPKTRSZBN-OAQYLSRUSA-N 415.453 3.757 0 50 HHAA C[C@H]1[C@H](NC(=O)CCc2nc(C3CCCC3)no2)[C@H](C)CCN1C(=O)OC(C)(C)C 253418701 ZUFALUYLVNOBEM-ZRGWGRIASA-N 420.554 3.810 0 50 HHAA CCn1nc(C(C)C)cc1-c1nc(COc2ccc(F)cc2)nn1-c1cnn(C)c1 1772805602 QHBMJCDMVFBVKF-UHFFFAOYSA-N 409.469 3.726 0 50 HHAA CCCN1CC[C@H](CNC(=O)c2ccc(OC)c(Oc3ccc(CN)cc3F)c2)C1 1857692380 BPBGKFASTBVVGW-QGZVFWFLSA-N 415.509 3.547 0 50 HHAA COc1ccc(OC)c(/N=c2\scc(-c3cnccn3)n2CCOC2CCC2)c1 1875255814 XVDOMELEDMEHPB-FLFQWRMESA-N 412.515 3.825 0 50 HHAA Cc1nn(-c2ccccc2)nc1-c1nc(-c2cccc(NC(=O)NC3CC3)c2)no1 1875260227 FBWCYHPAADGHDW-UHFFFAOYSA-N 401.430 3.577 0 50 HHAA Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)NCCc1coc(-c2ccccc2)n1 1875316159 XXQKFKMIIHZRNT-ZDUSSCGKSA-N 406.408 3.860 0 50 HHAA CC[C@H]1CC[C@H](c2nc(-c3cnn(CCO)c3)nn2[C@@H](C)C2CCOCC2)CC1 1875348039 GOYVOKASTRIXLB-LNLFQRSKSA-N 401.555 3.805 0 50 HHAA CC[C@H]1CC[C@H](c2nc(-c3cnn(CCO)c3)nn2[C@H](C)C2CCOCC2)CC1 1875348040 GOYVOKASTRIXLB-ZHALLVOQSA-N 401.555 3.805 0 50 HHAA Cc1cncc(CC(=O)N2CCC[C@H]([C@H]3CCN(C(=O)c4ccc(C)cc4C)C3)C2)c1 1875361654 YAMKVLVOKOCGPF-GOTSBHOMSA-N 419.569 3.950 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(OC)c1 951137 FEPYRPSIKUMJTC-UHFFFAOYSA-N 402.406 3.757 0 50 HHAA O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cccnc1 1071118 RVUGSUHDFSBTQW-UHFFFAOYSA-N 410.861 3.543 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)NC(=O)C2CCCCC2)cc1)c1ccccc1Cl 1189372 XZSCXFHXOAGMJR-UHFFFAOYSA-N 420.918 3.978 0 50 HHAA Cc1cc(=O)oc2c(I)c(OC(=O)c3ccccc3)ccc12 1216841 BCJUNKQNOZIPPI-UHFFFAOYSA-N 406.175 3.925 0 50 HHAA O=C(NCCCN1CCCCC1)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 6895571 JFTPHYHNBWMXPM-MHZLTWQESA-N 408.951 3.847 0 50 HHAA CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 225723387 INZPMWGLBHIOCO-MOPGFXCFSA-N 424.497 3.796 0 50 HHAA Cn1cnnc1Sc1ccc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)o1 20997757 FXAFTAUZIMJIPL-IBGZPJMESA-N 409.559 3.582 0 50 HHAA CCc1nn2c(ncc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(Cl)cc1 40397509 XAVMZOHVXXBKNM-UHFFFAOYSA-N 418.888 3.893 0 50 HHAA O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2Cl)NC(=S)N[C@@]1(O)C(F)(F)F 226355825 LNUKCRPQJUXJEG-ZQIUZPCESA-N 414.836 3.609 0 50 HHAA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c3ccccc23)CN1Cc1ccccc1 20908990 WYIHRSODQOWMRY-URXFXBBRSA-N 417.553 3.717 0 50 HHAA COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239433676 YHLRDPDXXHWSOQ-DFEHZGFQSA-N 411.479 3.587 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccc(C(C)C)cc4)c3CO2)cc1 263617225 MTYZXJBPZLPOLJ-NRFANRHFSA-N 406.486 3.612 0 50 HHAA COc1ccc([C@H](C)NC(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)cc1 263619382 YMGYIFLTFUKOPV-YCRPNKLZSA-N 407.470 3.663 0 50 HHAA COc1ccc(CCN(Cc2ccc(Cl)cc2)C(=O)Cn2nc(C)cc2N)cc1 952977170 PGHPIAANYUGUKC-UHFFFAOYSA-N 412.921 3.707 0 50 HHAA O=C(NCc1ccncc1)Nc1cccc(CNC(=O)Nc2ccnc(Cl)c2)c1 778278242 HACWPMSUFUHCGU-UHFFFAOYSA-N 410.865 3.773 0 50 HHAA COc1cc(-c2onc(N3CCC[C@](CO)(CC(C)C)C3)c2C(=O)O)ccc1F 1704316068 UTKHDWUDYIEUIA-NRFANRHFSA-N 406.454 3.813 0 50 HHAA COc1ccc(OCc2cc(C(=O)N[C@H](C)Cc3cccnc3)no2)c(Cl)c1 11843876 BDXOFNBCGDBFTQ-CYBMUJFWSA-N 401.850 3.672 0 50 HHAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCN2CCCCC2=O)n1 11937134 XQRLJCPFZQZYRA-VWLOTQADSA-N 416.525 3.748 0 50 HHAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H](C)c3cccs3)cc2)CC1 11996746 MHDBKDXYHPXTFI-INIZCTEOSA-N 416.543 3.645 0 50 HHAA CC(=O)N1CCCN(C(=O)C[C@@H](c2cccc(O)c2)c2cccc(Cl)c2)CC1 12073637 JXYPKRFQYFNZDH-OAQYLSRUSA-N 400.906 3.648 0 50 HHAA Cc1ccccc1Cn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nn1 12316330 SZWAJVCUVCWHAU-GOSISDBHSA-N 400.486 3.531 0 50 HHAA CCN1C(=O)N(CCc2ccccc2)C2(CCN(C3Cc4ccccc4C3)CC2)C1=O 14749378 VMZMNRDQHSVTPF-UHFFFAOYSA-N 417.553 3.515 0 50 HHAA CC[C@H](C)C(=O)C(=O)NC[C@H]1Cc2cc(-c3ccnc(SC)n3)cc(Cl)c2O1 14991886 IXCALMQEKKMWMY-SMDDNHRTSA-N 419.934 3.554 0 50 HHAA Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cnc(-c3ccccc3)nc1)CCC2 444069185 INDPSMUVPZNGKM-QGZVFWFLSA-N 400.529 3.607 0 50 HHAA COc1ccc(-c2nc(CN3Cc4ccccc4C3)n(-c3nc4ccccn4n3)n2)cc1 1875348686 YYTLBBMFLARMLY-UHFFFAOYSA-N 423.480 3.501 0 50 HHAA COc1ccc(S(=O)(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1OC 4511961 YCOVNTJEIXEPET-UHFFFAOYSA-N 400.500 3.542 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H]2c2ccc(Br)cc2)CC1 2325889385 NJRVZVBXUPHBBP-MSOLQXFVSA-N 405.336 3.626 0 50 HHAA COCCNC(=O)c1c(NC(=O)COc2c(C)cccc2C)sc2c1CCCC2 1831021 WWJJBMFRACCJDR-UHFFFAOYSA-N 416.543 3.637 0 50 HHAA O=C(NCCNC(=O)c1cc2ccccc2cc1O)c1cc2ccccc2cc1O 2201770 XHUFWDAAPLRHHO-UHFFFAOYSA-N 400.434 3.564 0 50 HHAA COCc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3Cc2ccccc2)o1 2356134824 DPRCKDDKHOLUHX-DXIQSLLYSA-N 418.493 3.631 0 50 HHAA CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 2857147 RWHBUJHLWXHUBF-HXUWFJFHSA-N 402.516 3.578 0 50 HHAA O=C(NCc1ccccn1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 8323753 KSMBIMAHEWVJOT-DOTOQJQBSA-N 401.392 3.868 0 50 HHAA O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1Br 252677997 CFDWIBKFZRIWHY-GUTXKFCHSA-N 420.332 3.639 0 50 HHAA C[C@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1C(=O)N1c2ccccc2C[C@H]1C 20616696 XRYGJMJPEGZMTI-CVEARBPZSA-N 400.482 3.603 0 50 HHAA CC(C)C1CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1 82108599 XIURZMWYKOPQMS-HSZRJFAPSA-N 412.622 3.653 0 50 HHAA O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(S(=O)(=O)C2CC2)CC1 95503503 SDVDMLCIAHIYFK-UHFFFAOYSA-N 402.491 3.635 0 50 HHAA Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 485604544 ZECFKZOVZWFSFH-LBPRGKRZSA-N 416.494 3.695 0 50 HHAA O=C(c1ccc(CSc2ccccn2)cc1)N1CCN(C(=O)c2ccco2)CC1 828157775 MCWYAWHENDLZFJ-UHFFFAOYSA-N 407.495 3.565 0 50 HHAA O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CC=C(c2cccc3ccccc23)CC1 1464547780 PGWXKUBENTYIJD-RTBURBONSA-N 423.456 3.679 0 50 HHAA O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1CC[C@@](O)(c2ccc(F)cc2)C1 777492427 NAQWRVWWVUOBSI-IBGZPJMESA-N 421.241 3.942 0 50 HHAA Cc1ccc(OCc2occc2C(=O)N2CCCN(Cc3cccnc3)CC2)cc1 1506405669 BQRMKTMPNACLMU-UHFFFAOYSA-N 405.498 3.910 0 50 HHAA CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704340505 JBAUANCVAUCBIB-FUHIMQAGSA-N 406.555 3.947 0 50 HHAA FC(F)(F)CCN1C[C@H]2CN(Cc3cncnc3)C[C@]2(CCc2ccccc2)C1 1772811253 SHKZLNAOAAQJSF-SFTDATJTSA-N 404.480 3.796 0 50 HHAA COCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)s3)C[C@@]2(CCc2ccccc2)C1 1772812578 LFGPWUZICAVTTL-GCJKJVERSA-N 418.990 3.941 0 50 HHAA Cn1cc(CCC(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)cn1 11754075 WMUWCNCDXNUJNS-FQEVSTJZSA-N 401.510 3.726 0 50 HHAA CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 11870858 JQURDRJCRVGWNY-DVECYGJZSA-N 414.521 3.946 0 50 HHAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)c2n[nH]c3ccc(C)cc23)CC1 11935783 BJHQAZUCZAUKNP-QGZVFWFLSA-N 413.518 3.616 0 50 HHAA CCN(Cc1cc(F)ccc1-n1cccn1)CC1CCN(C2CCN(C)CC2)CC1 12074906 FHLLAKOGLPNNJY-UHFFFAOYSA-N 413.585 3.640 0 50 HHAA CSc1nc(C(=O)NC[C@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)cs1 12149668 GTQYZWIAVYQRAK-CYBMUJFWSA-N 401.488 3.800 0 50 HHAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H](C)Cc2cccs2)c1 12191864 RNOJBWBKFURVII-OAHLLOKOSA-N 416.543 3.507 0 50 HHAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@@H]1CCN1CCCC1 12315821 VULJWMRSKXBTBS-GOSISDBHSA-N 419.932 3.600 0 50 HHAA Cc1ccsc1S(=O)(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 13659418 XDEDEAGPEBDMAQ-MRXNPFEDSA-N 424.563 3.693 0 50 HHAA Cc1c(C(=O)NCc2cccc(F)c2F)sc2ncnc(NC[C@H]3CCCO3)c12 14889363 RPSCEXFNFZFISP-CYBMUJFWSA-N 418.469 3.799 0 50 HHAA CC(=O)c1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cs1 19761012 ZYKLLJCRICFUPB-LJQANCHMSA-N 401.551 3.876 0 50 HHAA CCOc1cc(=O)n2c(c1C(=O)Nc1cc(OC)c(Cl)cc1OC)CCCC2 169752952 UBCLKBCXMFMNQR-UHFFFAOYSA-N 406.866 3.506 0 50 HHAA CN1c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C(=O)N2CCC[C@@H]21 169765837 ZBOGBCSXJRDVJO-QGZVFWFLSA-N 405.376 3.849 0 50 HHAA CN1CCOC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)CC2)C1 1857691235 BKIMGALYYMIIHV-UHFFFAOYSA-N 410.358 3.661 0 50 HHAA CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)COC3CCCCC3)[C@@H]2C1)c1ccccc1 1875336909 PATRGBBSQFMIGB-BGWNEDDSSA-N 412.574 3.835 0 50 HHAA O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ncoc2[C@H]2CCCO2)cc1 1322893848 UKYNCDDSYXZKMI-LJQANCHMSA-N 405.454 3.751 0 50 HHAA COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1Cl 644530 RWLMJGCTZMYRPO-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA Cc1cc(C(=O)N[C@@H](CNC(=O)c2occc2C(C)C)C2CC2)ncc1C(F)F 2325828964 WYHATIUXRHTRNM-KRWDZBQOSA-N 405.445 3.982 0 50 HHAA C[C@@H](OC(=O)CCC(=O)Nc1ccc(Br)cc1)C(=O)c1ccccc1 2814267 UFYYFKYWGDBIPZ-CYBMUJFWSA-N 404.260 3.982 0 50 HHAA O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2)c1ccccc1F 5205380 NJDTYNQPPBKGNZ-UHFFFAOYSA-N 402.491 3.881 0 50 HHAA Cc1cc(C(=O)N(Cc2cccnc2)CC2CCN(Cc3ccccc3C)CC2)n[nH]1 11664158 XACQKGMPYLGMDL-UHFFFAOYSA-N 417.557 3.976 0 50 HHAA COc1ccc(OC)c(CC(=O)N[C@H]2CCCN(c3nc4ccccc4s3)C2)c1 11814860 CRYYIJKVVOPIGD-INIZCTEOSA-N 411.527 3.641 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)NCCc3ccccc3)C2)c1 11999869 SPYZQVRCQKNWIN-NRFANRHFSA-N 423.557 3.756 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@@H](NCC1CCCCC1)CC3 12243283 ODQMACJQAATFPO-KRWDZBQOSA-N 408.571 3.929 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 12432528 FNXXBFABTCXLQN-HXUWFJFHSA-N 413.472 3.627 0 50 HHAA COc1cccc(CC2(CO)CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2)c1 12449032 KNBJZIZZAZXBOF-UHFFFAOYSA-N 408.542 3.753 0 50 HHAA CCCN(CC1CC1)C(=O)c1cn(C(C)C)cc(C(=O)N[C@H](C)c2ccco2)c1=O 14882607 MMCFSIOGNCOHJK-MRXNPFEDSA-N 413.518 3.775 0 50 HHAA CCn1cc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)cn1 14955642 OJMWEXKMZSBYKU-SANMLTNESA-N 422.617 3.763 0 50 HHAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc(C(C)C)cs2)CC1 14965777 WHOYUNDZARWAFD-IBGZPJMESA-N 406.640 3.859 0 50 HHAA Cc1ncc(CN2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)s1 15063333 WFKJRRAMUBOXTE-UHFFFAOYSA-N 422.554 3.820 0 50 HHAA OCCOc1cccc(CN2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)c1 15069497 OZXNCTDOAOQTCP-RUZDIDTESA-N 419.521 3.728 0 50 HHAA COCC(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)C[C@H]1Cc1ccccc1 82120400 HQQIXINAODPRML-XMMPIXPASA-N 414.505 3.787 0 50 HHAA O=C1N[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 169589373 WKBREAHLDIKPDY-ZOWXZIJZSA-N 404.797 3.505 0 50 HHAA O=C(NC1CCCCC1)c1ccc(NCc2ccccc2N2CCOCC2)cc1O 170616021 NQZIIXDNOAHKPV-UHFFFAOYSA-N 409.530 3.903 0 50 HHAA Cc1cc(NC(=O)CN[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1Br 253415742 RMAZQVBCSWZSOJ-ICSRJNTNSA-N 402.336 3.731 0 50 HHAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@H]1CCc2c(Br)cccc21 437547972 KLCNRXMBCJUTGZ-HNNXBMFYSA-N 401.264 3.563 0 50 HHAA COc1cccc(-c2ccc(C(=O)N3CCc4nc[nH]c4[C@@H]3c3cccnc3)o2)c1 952988545 JMHXZYNJXMYOGM-QFIPXVFZSA-N 400.438 3.861 0 50 HHAA COc1cc(CN2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)ccc1OCc1ccc(C)cc1 1529144010 BILPDZDXKCFXIK-FYYLOGMGSA-N 422.525 3.914 0 50 HHAA O=C1Nc2ccccc2C[C@H]1NCc1cnn(Cc2ccccc2C(F)(F)F)c1 2325869996 FLZMCJRAPUSRLY-LJQANCHMSA-N 400.404 3.603 0 50 HHAA CCN1Cc2ccccc2C[C@@H]1C(=O)N1CCC2(CC1)OCCc1cccc(OC)c12 2356134225 FKDRRHTULYECJG-JOCHJYFZSA-N 420.553 3.532 0 50 HHAA N=c1[nH]cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3CC2CCCCC2)s1 2356146841 XLFQJQGVKWLAQK-XWSJACJDSA-N 402.608 3.841 0 50 HHAA COc1ccc(Nc2ncnc3ccc(I)cc23)cc1OC 955116 BOTVBQAOQAJIAV-UHFFFAOYSA-N 407.211 3.995 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc(C(N)=O)c1C 1117299 WIKUPNSOAOTJDW-NSHDSACASA-N 424.906 3.700 0 50 HHAA Cc1ccc2c(C)c(C(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)oc2c1 4183537 DVEIXFGISKQTHR-OAHLLOKOSA-N 403.525 3.941 0 50 HHAA CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNCCCn1ccc2ccccc21 15064137 WPVZSRUZBWOPMV-UHFFFAOYSA-N 409.921 3.824 0 50 HHAA COc1cccc(OCCCOc2c(/C=C3\SC(=O)NC3=O)cccc2OC)c1 15857279 WJKIXLNQZNIXCR-PDGQHHTCSA-N 415.467 3.876 0 50 HHAA CN(Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O)C[C@H](O)c1ccccc1 23129128 TWPQOYFHDOVDEM-DEOSSOPVSA-N 417.484 3.749 0 50 HHAA COc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCCN2C3=O)cc1OC 169766115 YIGJARRBTSYGFW-NRFANRHFSA-N 409.486 3.748 0 50 HHAA CC[C@H](NC[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(CCOC)c1)c1ccccc1 328606493 RULTZYYXMMHPQP-IEIRFRATSA-N 412.578 3.959 0 50 HHAA CNC(=O)c1cc(Oc2cccc(N[C@@H]3CCN(c4ccccc4F)C3=O)c2)ccn1 427422757 XNKWUUMTXMUGSH-LJQANCHMSA-N 420.444 3.590 0 50 HHAA CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 773193244 ZOGISONHTNUGTR-OAQYLSRUSA-N 418.541 3.913 0 50 HHAA O=C(c1ccc(CSc2nc[nH]n2)o1)N1CCC[C@H](c2nc3ccccc3o2)C1 1506426927 UEAWWNNIYQURIY-ZDUSSCGKSA-N 409.471 3.851 0 50 HHAA Cc1ccccc1-c1ccc(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1 1857727826 BEJVJQQGWJSNGV-FBLLAGFSSA-N 404.510 3.860 0 50 HHAA c1cnn2c(-c3nc(-c4cn(CC5CCCCC5)nn4)nn3CC3CC3)ccc2c1 1875348978 IZBKAOHQAZDJBG-UHFFFAOYSA-N 402.506 3.842 0 50 HHAA O=C(C[C@H]1CC1(Cl)Cl)NCCCCCNC(=O)C[C@H]1CC1(Cl)Cl 2325702693 VHKDFDVMQGOLLD-QWRGUYRKSA-N 404.165 3.557 0 50 HHAA O=C(O)c1c(N2CCN(c3nsc4ccccc34)CC2)noc1-c1ccccc1 2356143162 WWJPRFVXDBGTNJ-UHFFFAOYSA-N 406.467 3.976 0 50 HHAA O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCC[C@@]12CCCNC2=O 2356164664 BUWDNQLKHILWJA-GOSISDBHSA-N 409.433 3.714 0 50 HHAA COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)o2)cc1OC 667382 GLNLFXURHGUFJD-SFHVURJKSA-N 409.438 3.698 0 50 HHAA biogenic Cc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 871630 VCMYKIWWPYNRQC-UHFFFAOYSA-N 412.486 3.646 0 50 HHAA O=C(N1CCN(S(=O)(=O)c2ccccc2)CC1)N(c1ccccc1)c1ccccc1 1146457 UFSRTCGRCZTJSN-UHFFFAOYSA-N 421.522 3.951 0 50 HHAA Cn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1ccncc1 1148062 DKVQVVRVZFAYEV-UHFFFAOYSA-N 422.283 3.510 0 50 HHAA COc1cccc(COC(=O)c2ccc(-c3nnn(Cc4ccccc4)n3)cc2)c1 1425918 UYLLOAWGYRHOKH-UHFFFAOYSA-N 400.438 3.754 0 50 HHAA Cc1ccc(C(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1C 2810323 UEGYLIZGQSLUBQ-HXUWFJFHSA-N 407.466 3.740 0 50 HHAA COc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1OC 2882937 BYONTZPYNRDFJZ-UHFFFAOYSA-N 408.454 3.882 0 50 HHAA Cc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 2981881 DVOIJEOJCXXZCR-UHFFFAOYSA-N 400.544 3.757 0 50 HHAA Cc1cc(Br)cc(C)c1OCC(=O)Nc1sc(C)c(C)c1C(N)=O 5063787 IIXFXWMLVVISHN-UHFFFAOYSA-N 411.321 3.861 0 50 HHAA CC(C)CCN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)COc1ccccc1)[C@@H]2O 12205197 CNQNFCNTSVUZFN-RPBOFIJWSA-N 422.569 3.677 0 50 HHAA CN(Cc1cc2ccccc2s1)C(=O)c1cn(C[C@@H]2COc3ccccc3O2)nn1 12571191 KMUCIEMIJQITRZ-MRXNPFEDSA-N 420.494 3.605 0 50 HHAA O=C(NCCc1ccco1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 12704503 XUOYUWNUJYCCAU-UHFFFAOYSA-N 416.525 3.801 0 50 HHAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1coc(COc2ccccc2F)n1 19720340 WUAAVAJEXSWUON-GOSISDBHSA-N 409.461 3.521 0 50 HHAA COc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 19772655 NCPYNQDHIIBZIX-VMIIQTFKSA-N 404.595 3.656 0 50 HHAA Cc1ccc(CN2CCN(C(=O)c3ccn(COc4cc(C)cc(C)c4)n3)CC2)cc1 20028689 KRVMRKBMVLKGEQ-UHFFFAOYSA-N 418.541 3.803 0 50 HHAA CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(O)c(OC)c3)N2C1=O 22204898 CIOAIIKTUJCFJM-XMSQKQJNSA-N 419.481 3.961 0 50 HHAA COCc1nn2c(nnc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccccc1 40391330 SPIDIBJKQGYHEE-UHFFFAOYSA-N 417.494 3.557 0 50 HHAA O=C(Cn1ncc(N2CCCCC2)c(Cl)c1=O)Nc1cccc(C(F)(F)F)c1 72119180 IKZBKQBXCUOPGA-UHFFFAOYSA-N 414.815 3.545 0 50 HHAA O=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1Cc2ccccc2C1 91304402 WPLPXQWILKQFIM-UHFFFAOYSA-N 400.265 3.824 0 50 HHAA CC(C)(C)OC(=O)c1ccsc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 225390126 BHHXQCZOFLFJRN-UHFFFAOYSA-N 423.491 3.829 0 50 HHAA CC(C)(O)CN(Cc1ccccc1)C(=O)c1cc(Br)cc2[nH]cnc12 225736036 QYGDJZGFCUSMOL-UHFFFAOYSA-N 402.292 3.739 0 50 HHAA CCO/C=C/[C@@](O)(CNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C(F)(F)F 253430063 PSPRWGRQSSHZTM-KEDPEKRHSA-N 422.329 3.813 0 50 HHAA OC[C@]12[C@@H]3[C@H]4[C@H]([C@H]5CCC[C@H]53)[C@@]3(COc5ccccc5)[C@@H]5[C@@H]6[C@@H](CC[C@H]6[C@]31O)[C@@H]2[C@@H]45 257356462 IEUFYJSOEMIWDR-OYMJANPFSA-N 404.550 3.599 0 50 HHAA CCn1nc(C)c(CN2CCOc3ccc(CN4C[C@H](C)O[C@H](C)C4)cc3C2)c1C 299760883 PULSXHHEZQTERA-HDICACEKSA-N 412.578 3.524 0 50 HHAA O=C(N[C@@]1(C(=O)O)COc2ccccc2C1)OCC1c2ccccc2-c2ccccc21 328290944 BSFSHWYRLWFJQC-RUZDIDTESA-N 415.445 3.984 0 50 HHAA C[C@@]1(CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CCO[C@@H]1C1CC1 466691830 QJZVQDPBHPGSQT-GGAORHGYSA-N 413.539 3.596 0 50 HHAA Cc1c(-c2noc(-c3ccc(Oc4ccccc4Cl)cc3)n2)c(O)nc(=O)n1C 904905232 RGYNWCXUAPCAEP-UHFFFAOYSA-N 410.817 3.957 0 50 HHAA Oc1cc([C@@H]2CCN(Cc3coc(-c4ccc(F)c(C(F)(F)F)c4)n3)C2)nc(O)n1 1307891743 WAVPQHXKFCZYLW-LLVKDONJSA-N 424.354 3.690 0 50 HHAA CCCCn1nc(COc2ccccc2OC)nc1[C@H]1CCCN(C(C)=O)CC1 1772818730 XJBFNPKLXUMPTH-SFHVURJKSA-N 400.523 3.782 0 50 HHAA Cc1nc(COc2ccc3c(c2)CCOC32CCN(c3nccnc3C)CC2)co1 1857666437 FOQICSFDRJNHEV-UHFFFAOYSA-N 406.486 3.729 0 50 HHAA CCn1cncc1CNC(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857695541 NRFYJZRKRUAWST-AWEZNQCLSA-N 401.898 3.621 0 50 HHAA CN(C[C@H]1CC12CCN(Cc1ccccc1I)CC2)C1CC1 2325720310 MXWLONBHKSMXFM-MRXNPFEDSA-N 410.343 3.988 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(Cc3ccccc3OCCO)C2)[C@@H]2CCCC(=O)N12 2356144781 LTGSLHNIWYPPEO-LDVJMBRRSA-N 414.590 3.695 0 50 HHAA Cc1ccc(Cl)cc1NC(=O)Cn1cnc2ccc(Br)cc2c1=O 2532643 KNMFHRTUZRPHAC-UHFFFAOYSA-N 406.667 3.760 0 50 HHAA C[C@H](OC(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1)C(=O)c1ccccc1 4724734 DRCFSQJNAJGGFF-LVNJIZSUSA-N 417.461 3.816 0 50 HHAA COc1cc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2)c(OC)cc1Cl 4808040 FSPGIFNERXVUQI-SFHVURJKSA-N 417.918 3.789 0 50 HHAA Cc1ccc(OC[C@H]2CCCN(C(=O)CC[C@@]3(Cc4ccco4)CCC(=O)N3)C2)cc1 11787757 FSKYHMQDARIDQW-NBGIEHNGSA-N 424.541 3.877 0 50 HHAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2ccc(COC)o2)C1 11838340 RBYWWTQSWFIVHG-HSZRJFAPSA-N 401.503 3.823 0 50 HHAA O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCCc1ccc(F)cc1 11882160 OPAMICFCNDJIDC-JOCHJYFZSA-N 402.897 3.810 0 50 HHAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CC1CCN(C)CC1 12056922 OUXACKJYKVAILL-QFIPXVFZSA-N 403.586 3.661 0 50 HHAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccsc1 12373306 GTBAVGKKIMWVSV-GOSISDBHSA-N 403.567 3.803 0 50 HHAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2ccc(SC)cc2)C1 12386856 XCJHJXYYRYMSOU-IBGZPJMESA-N 414.571 3.824 0 50 HHAA Cc1nnc(SCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 12387403 LGVLBKFXYSSYJK-INIZCTEOSA-N 415.494 3.625 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN([C@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 12456471 AAEKLLNHPOWZGU-PMACEKPBSA-N 419.997 3.802 0 50 HHAA COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@@H](O)CN1CCCCC1 12764352 LFGJNSLLCFYNRJ-QFIPXVFZSA-N 416.537 3.658 0 50 HHAA COc1cccc(-c2cc(C(=O)O)n3nc4nc(C(F)(F)F)cc(C)c4c3n2)c1 13645694 BZTYQUOXMPABMH-UHFFFAOYSA-N 402.332 3.979 0 50 HHAA O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(C1CCCC1)CC2 14534649 VYYWPARZHMJWQG-UHFFFAOYSA-N 421.570 3.619 0 50 HHAA O=C(Nc1ccnn1C1CCN(Cc2ccc3c(c2)OCCO3)CC1)C1CCCC1 15074522 HESOUYLQAXKNJO-UHFFFAOYSA-N 410.518 3.620 0 50 HHAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)c1ccc(C)s1 20271309 ALYLNGLPOUHRLL-UHFFFAOYSA-N 413.543 3.968 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4c[nH]c5ccccc45)C3)[nH]n2)cc1 169753653 FGDDWQXWZNUGJH-QGZVFWFLSA-N 415.497 3.965 0 50 HHAA COc1ccc([C@@H](CN2CCCC2)NC2CCN(C(=O)OCC(C)C)CC2)cc1 170595423 IIKJLPYIJHMAMQ-JOCHJYFZSA-N 403.567 3.679 0 50 HHAA CCC1=C(C(=O)N2CCN(CCCc3nc(-c4ccc(C)cc4)no3)CC2)CCCO1 170611067 BATFPKHPGJZQBN-UHFFFAOYSA-N 424.545 3.596 0 50 HHAA O=C(NCc1ccco1)[C@H]1CCCN1C(=O)Nc1ncc(Cc2ccccc2)s1 170627471 RJLSENBJXGLBQE-GOSISDBHSA-N 410.499 3.640 0 50 HHAA COc1csc(C(=O)OCc2ccc(Br)cc2N2CCOCC2)c1 225689167 DSUYWGLGDPIXIQ-UHFFFAOYSA-N 412.305 3.713 0 50 HHAA Cc1c(S(=O)(=O)Nc2nccn2-c2ccccc2)cnn1-c1ccc(Cl)cc1 430667529 FMTGFIFPPHZBMZ-UHFFFAOYSA-N 413.890 3.821 0 50 HHAA c1ccc2c(c1)C[C@H](c1nnc(N3CC[C@@]4(CCCOC4)C3)n1C[C@H]1CCCCO1)O2 461684678 SDXXUJKMMDZENX-ZYKOEDHHSA-N 424.545 3.530 0 50 HHAA Cc1cccc(N2CCC(NC(=O)[C@H]3CCCCN3C(=O)c3ccccc3)CC2)c1 670439073 KCXJCDKKTUYKQB-HSZRJFAPSA-N 405.542 3.775 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@]4(CCc5cnc(C)nc54)C3)cc2)n1 1704300660 TYKKRXFWLUILKO-VWLOTQADSA-N 415.541 3.767 0 50 HHAA Cc1ccc2oc(N3CCC(c4nc(C5CCCC5)nn4C[C@H](C)O)CC3)nc2n1 1857676306 FHDHQYNTDKEGHJ-HNNXBMFYSA-N 410.522 3.545 0 50 HHAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(Cc3cnc4c(-c5ccccc5)cnn4c3)C[C@H]12 1857711793 FLWNNEBUWYLDFO-NWZJSZKRSA-N 416.525 3.830 0 50 HHAA COc1ccc2c(c1)OCC=CCC1(CCCC1)C(=O)NC[C@@H]1CCCCN1C2=O 1875369665 AMIBUBJOEOAHFY-SFHVURJKSA-N 412.530 3.705 0 50 HHAA COc1cccc(F)c1C(=O)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356143970 DWXHVWDVAMUSNH-XMMPIXPASA-N 410.489 3.674 0 50 HHAA Cc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 843057 BIKVINQUCDYQDJ-UHFFFAOYSA-N 412.486 3.646 0 50 HHAA Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CCCCC2)cc1 1115059 MRSMMOYESFNASQ-JOCHJYFZSA-N 412.555 3.560 0 50 HHAA COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1cccc(O)c1 1142082 ZZQPBSKRMRNIBB-UHFFFAOYSA-N 413.857 3.759 0 50 HHAA COc1ccccc1CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1 1150742 ZIWWWMCWVYOWDG-UHFFFAOYSA-N 404.422 3.827 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1 2356151300 BXGMKTAEFLNINP-UHFFFAOYSA-N 411.473 3.888 0 50 HHAA COc1ccc(-c2nnc(SC[C@H]3CC(F)(F)C(=O)O3)n2-c2ccccc2)cc1 252500299 SRRYORCMQQZCOQ-MRXNPFEDSA-N 417.437 3.986 0 50 HHAA Cc1cc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)no1 2780606 YADKPKUWHUBLRK-UHFFFAOYSA-N 407.190 3.867 0 50 HHAA C[C@H](NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)c1cccc(C(F)(F)F)c1 222024424 KFYSQPGTYYCNDM-AMKSKSKJSA-N 410.417 3.587 0 50 HHAA CN1CCC(Cc2noc([C@@H]3CCC(=O)N(Cc4ccc(Cl)cc4)C3)n2)CC1 91664298 RUWGOYPUQVFEGO-QGZVFWFLSA-N 402.926 3.514 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3CCC(c4nnc5n4CCCCC5)CC3)n[nH]2)cc1 825180624 ODUQCTIBZWZTOJ-UHFFFAOYSA-N 404.518 3.723 0 50 HHAA COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)cc1 888103545 MIOSFPFSZMLAKQ-HIGZBPRKSA-N 409.574 3.842 0 50 HHAA Cc1nc(C2(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Br)CCC2)no1 170615113 DTALCDULUGCUOU-SECBINFHSA-N 414.687 3.757 0 50 HHAA O=C(CCCc1nc(-c2ccco2)no1)N1CCC([C@@H](O)c2cccs2)CC1 1506411652 SQQNVNPSQKQZOH-LJQANCHMSA-N 401.488 3.686 0 50 HHAA O=C(c1cccnc1N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)N1CCCCC1 1704300211 QCHCJNAHYRXJIA-AUSIDOKSSA-N 416.525 3.926 0 50 HHAA O=C(Cc1ccc(Cl)cc1)NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 11791348 RRVWRRANJGHBQX-OAQYLSRUSA-N 413.949 3.608 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)CCc2ccncc2)C1 12308061 JMRVLHCROFIHOG-QHCPKHFHSA-N 416.468 3.707 0 50 HHAA O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 12409304 XLEXAYZHKCZJDK-UHFFFAOYSA-N 409.917 3.667 0 50 HHAA COCCN(Cc1ccc(OC)c(OC[C@H](O)CN2CCCCCCC2)c1)C(C)C 12750320 XGJBQMPVGGEYGA-JOCHJYFZSA-N 422.610 3.558 0 50 HHAA COc1cc(CN2C(=O)CC[C@@H]2CCNCc2ccccc2F)cc(OC)c1OC 14976939 XCFHZEZDZVVLIX-GOSISDBHSA-N 416.493 3.522 0 50 HHAA COc1ccccc1-n1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 15066055 QSXOOASHOFOBKO-HXUWFJFHSA-N 422.504 3.757 0 50 HHAA COc1ccc(OC)c(CN2CCN(Cc3ccc(Br)cc3)CC2)c1 19781611 GKIRACDGUSJAQC-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(CC1CCCCC1)CC2 19781897 OSAZWIGVQVQFPI-IBGZPJMESA-N 409.578 3.527 0 50 HHAA O=C(CCc1cncc(Br)c1)N(Cc1ccccc1)[C@@H](CO)C1CC1 1875330015 JTCBOGVYZRJNMD-IBGZPJMESA-N 403.320 3.576 0 50 HHAA O=C(Nc1cnc2sccn2c1=O)c1ccccc1-c1nc(-c2ccccc2)no1 2100482178 CLCFVFZESQPMJN-UHFFFAOYSA-N 415.434 3.725 0 50 HHAA COc1cc(Cl)c(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2)c1 2325809549 HXLDDYULDANPDA-KRWDZBQOSA-N 417.918 3.789 0 50 HHAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 644493 XFAIYANSCDZTDX-UHFFFAOYSA-N 408.523 3.873 0 50 HHAA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1 1116166 ZFLYRLQZXFNEPT-UHFFFAOYSA-N 420.531 3.767 0 50 HHAA CC(=O)Nc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1 1126881 LYYLKTZQMSNNFZ-FQEVSTJZSA-N 408.527 3.693 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 1137259 ARLJUAFKDOWUFE-UHFFFAOYSA-N 415.515 3.508 0 50 HHAA O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CC[C@@H](c2ccccc2)C1 1156388 QATWCMFUDHETCL-ZJSXRUAMSA-N 424.500 3.910 0 50 HHAA CCOC(=O)c1c(NC(=O)CCn2c(=O)oc3ccccc32)sc2c1CCCC2 2872344 YUNJFUJPALBAFD-UHFFFAOYSA-N 414.483 3.740 0 50 HHAA CC[C@H](C)NC(=O)c1cc(NC(=O)C2CCCCC2)cc2ncn(CCOC)c12 11786051 CNBXAHUCEAMQQO-HNNXBMFYSA-N 400.523 3.730 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@H](C(=O)N(C)CC[C@@H]4CCCCO4)C3)nc2c1 11909698 CVJXUUIJPPOSPF-PMACEKPBSA-N 410.562 3.881 0 50 HHAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2ccccc2N2CCOCC2)c1C 11937418 FDALJTSXSAOPTG-GOSISDBHSA-N 404.514 3.817 0 50 HHAA O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(Cc3cccc(F)c3)CC2)N1 12161634 ZRKQRXLSKORKIG-XMMPIXPASA-N 409.505 3.639 0 50 HHAA CC1CCN(C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1 12281145 LGJRNAKPYASULS-VWLOTQADSA-N 404.510 3.629 0 50 HHAA Cc1ccc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 19595388 ITWSFRNMQXVAFO-HXUWFJFHSA-N 413.587 3.567 0 50 HHAA CC[C@@H](C(=O)NC[C@@H](C)Cn1cc(Cl)cn1)n1nc(C(F)(F)F)c2c1CCC2 20607694 XYQCLPFYJUPKFX-RISCZKNCSA-N 417.863 3.644 0 50 HHAA O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 36708269 QVFRAROTHOSVDT-UHFFFAOYSA-N 418.904 3.614 0 50 HHAA O=C(Nn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O)c1ccccc1Cl 40387758 BBPHRQNOLZMDMJ-UHFFFAOYSA-N 415.840 3.749 0 50 HHAA CN(CCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 44916846 LCPYKPQALGGKOA-UHFFFAOYSA-N 403.929 3.944 0 50 HHAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C3=C2C(=O)OC3)cc1 169758971 SZJZHQHUHZQWAN-QFIPXVFZSA-N 419.481 3.634 0 50 HHAA COc1ccc(-c2ccc3nnc(CNC(=O)c4ccc(F)cc4Cl)n3n2)cc1 169778529 DBJJTDHMGGBMPJ-UHFFFAOYSA-N 411.824 3.522 0 50 HHAA O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCCC1=CCCCC1)C2)c1ccncc1 299783764 YENBGRRIQHTGAC-INIZCTEOSA-N 424.526 3.542 0 50 HHAA O=C(C1CCN(c2ccc3nncn3n2)CC1)N1C[C@@H](c2ccccc2)c2ccccc21 436268444 UGLBVEZLEPBZIC-NRFANRHFSA-N 424.508 3.519 0 50 HHAA CCOc1ccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)c(C)c1 460651345 TUFAPUZVSINAQR-UHFFFAOYSA-N 410.293 3.605 0 50 HHAA COc1ccccc1-c1csc([C@H]2CCCN(C(=O)c3cccc(C(N)=O)c3)C2)n1 470416581 VZSCWFCLQZSEAA-KRWDZBQOSA-N 421.522 3.937 0 50 HHAA CN(C)Cc1ccc([C@H]2CCCCN2Cc2ccc(OCC(N)=O)c(Cl)c2)cc1 952867935 VNSUQCGFMVJNGK-OAQYLSRUSA-N 415.965 3.993 0 50 HHAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cccc(OCCc4ccccc4)c3)CC2)C1 1704338270 PVADXVGFCPLXGS-XMMPIXPASA-N 409.526 3.844 0 50 HHAA Nc1ncccc1CN1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857695766 WYEWHZRHHASZMR-QFIPXVFZSA-N 422.573 3.652 0 50 HHAA COc1ccc(-c2ccc(CNC(=O)NC3(C(=O)O)Cc4ccccc4C3)s2)cc1 1875322178 LAHXACIOHYXVGL-UHFFFAOYSA-N 422.506 3.845 0 50 HHAA CSc1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 1051375 GFANIQXXCJOGEU-UHFFFAOYSA-N 402.900 3.606 0 50 HHAA CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccncc1 1077008 ZTWORSTZEYJLFV-UHFFFAOYSA-N 418.320 3.853 0 50 HHAA CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc1N 2328498 ZDIAZHSEUXYLAY-UHFFFAOYSA-N 424.482 3.759 0 50 HHAA COc1ccc(C)cc1-n1c(CSCc2ccccc2)nnc1SCC(N)=O 6390535 AJRYHSHMFIHGBO-UHFFFAOYSA-N 414.556 3.595 0 50 HHAA Cc1nc(C)c(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)nc1C 11820119 YDEAGFNIGFKKBC-LJQANCHMSA-N 404.518 3.643 0 50 HHAA CN(Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1)Cc1cccnc1 11934537 JYHIDZVHBVCDIS-DEOSSOPVSA-N 405.542 3.585 0 50 HHAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CN2CCCCC2=O)c1 11934664 FSBCEKOSFGYWEE-RUZDIDTESA-N 401.510 3.963 0 50 HHAA C[C@H](NC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O)c1ccco1 11967365 UQIVXMDHCAKEJE-INIZCTEOSA-N 411.502 3.674 0 50 HHAA Cc1ncoc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCCN(C2CCCC2)C1 12002617 FOHCVDDJOSPNHB-HXUWFJFHSA-N 402.583 3.566 0 50 HHAA CCCCn1c(CN2CCC(COC)CC2)cnc1S(=O)(=O)CCCC(C)C 12316685 DUZYMUBPTKKBRN-UHFFFAOYSA-N 413.628 3.752 0 50 HHAA COc1cccc([C@H]2CCCCN2C(=O)c2cn(Cc3c(F)cccc3F)nn2)c1 14979187 YAJWSNVMKGXXSS-OAQYLSRUSA-N 412.440 3.981 0 50 HHAA CCOC(=O)c1ccc(-c2ccc([C@H](c3c(O)n[nH]c3C)c3c(C)n[nH]c3O)o2)cc1 19974280 OOZIXLOMZFOPLC-UHFFFAOYSA-N 422.441 3.778 0 50 HHAA Cc1cc(C)cc(NC(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1 82230319 PHCSNGXCOQUUCD-UHFFFAOYSA-N 408.550 3.746 0 50 HHAA CCn1cnnc1CN1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 95525906 QBBBWHFBQFLLQE-IBGZPJMESA-N 403.530 3.607 0 50 HHAA CN(c1ncc(S(N)(=O)=O)s1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 252511528 HRFVSCMIRSDHSC-STQMWFEESA-N 405.467 3.582 0 50 HHAA O=C(NCc1cccc(C(F)(F)F)c1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263618680 UYMRMMGOMACJDC-QGZVFWFLSA-N 420.366 3.638 0 50 HHAA O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3ccccc3c2)C1 299781756 LNYVXKYZTBARJI-PKTZIBPZSA-N 406.526 3.720 0 50 HHAA CN1C[C@]2(CCCN(Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC2)OC1=O 823754219 YHLHLXPLJGSDIV-XMMPIXPASA-N 417.513 3.741 0 50 HHAA COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCc2csc(C)n2)cc1 824692124 PILWOWMRTZICAA-UHFFFAOYSA-N 424.478 3.994 0 50 HHAA O=S(=O)(c1ccc(F)cc1Cl)N(CCOc1ccccc1)C[C@@H]1CCCO1 826572458 XOFNSVBVDBRNQZ-KRWDZBQOSA-N 413.898 3.728 0 50 HHAA COC(=O)[C@@H](NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)c1cccc(OC)c1 1437728697 HKLFOURJUVRDRT-UGSOOPFHSA-N 409.404 3.923 0 50 HHAA O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857684283 GTURGXIQRIFGCA-HXUWFJFHSA-N 404.388 3.595 0 50 HHAA CCn1cc(CN(C)C(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)cn1 1857706493 VQMTWGNYNNEYHA-OAHLLOKOSA-N 401.898 3.573 0 50 HHAA O=C(NCc1cc(C2CC2)on1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857719582 PYJUOMDHYHZKQI-UHFFFAOYSA-N 400.866 3.879 0 50 HHAA CC/C=C(/CN1C[C@@H]2[C@H](CNC(=O)CCSC)[C@H]3CC[C@]2(C1)O3)c1ccccc1 1857737478 NXQAKQSTAUVGFN-COLGLMEWSA-N 414.615 3.829 0 50 HHAA CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCc3cc(F)cc(F)c32)CC1 1875264050 YWJSLFCKOCONKR-UHFFFAOYSA-N 413.468 3.818 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 1875365391 STPHVJKBPISWSF-QGZVFWFLSA-N 412.477 3.747 0 50 HHAA COc1ccc(OCc2ccc(C(=O)N3N=C(C)C[C@@]3(O)C(F)(F)F)cc2)cc1 652843 GBXUTHDPRUJKFH-LJQANCHMSA-N 408.376 3.747 0 50 HHAA O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)Cc2ccccc2)CC1 1163850 FDOJIOQTOHTQOJ-UHFFFAOYSA-N 401.304 3.869 0 50 HHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 1211610 WIVHFTSJDBFRDA-NRFANRHFSA-N 402.450 3.673 0 50 HHAA biogenic Cn1cc(Cl)c(C(=O)NCCSc2nc(C(C)(C)C)cc(C(F)(F)F)n2)n1 2807430 RYPJLSDUJNGEGS-UHFFFAOYSA-N 421.876 3.702 0 50 HHAA CCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cc(F)ccc2F)cc1 8673204 OPDUCQCVQQFOPN-UHFFFAOYSA-N 408.408 3.667 0 50 HHAA O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cncc(Br)c1 9061141 QBUCRRUVBLEMHS-UHFFFAOYSA-N 409.243 3.977 0 50 HHAA CCc1ccccc1NC(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697544 MRSFSOQSUZFQAV-UHFFFAOYSA-N 403.490 3.532 0 50 HHAA COCc1ccc(C(=O)N(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)o1 11813824 DLXMSPVTEBQWAW-HXUWFJFHSA-N 404.551 3.702 0 50 HHAA CCCn1ncc(C(=O)N2CC[C@@]3(CCCN(Cc4cccc(OC)c4)C3)C2)c1C 12430318 KSLOZTCNBJBQOT-XMMPIXPASA-N 410.562 3.738 0 50 HHAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)NCCc2ccccc2)C1 12578202 NMWAGPXBHSEBKE-QFIPXVFZSA-N 409.574 3.834 0 50 HHAA O=C(CC[C@H]1CCCN(C(=O)NCc2ccccc2)C1)NCc1ccc(F)c(F)c1 12744766 GNKSHLQXXBNNTP-GOSISDBHSA-N 415.484 3.983 0 50 HHAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)CCCn2cncn2)C1 14969436 MVWGVZCCNUWZDS-QFIPXVFZSA-N 402.498 3.847 0 50 HHAA COCc1c(C(=O)N(C)Cc2ccco2)c(=O)cc(C)n1CCCc1ccccc1 14986490 NUZQWBLLCQJAKA-UHFFFAOYSA-N 408.498 3.801 0 50 HHAA COc1ccccc1NC(=O)CSc1nnc(COc2ccc(C)c(C)c2)n1C 17089242 XMRLDULKDOBSTO-UHFFFAOYSA-N 412.515 3.750 0 50 HHAA O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1F 23382414 NANFCYUNPXMFLL-FQEVSTJZSA-N 415.428 3.687 0 50 HHAA CCOc1ccc(-c2ccnc(N3CCN(c4ccccc4)CC3)n2)cc1C(=O)O 71758868 IYBULGVLTVMMDP-UHFFFAOYSA-N 404.470 3.567 0 50 HHAA CCOc1ccc(CN2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)cc1 104556076 WNYIEJZEOGQMMJ-LJQANCHMSA-N 404.938 3.513 0 50 HHAA O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 169759839 FQZZYHSWFXPYBC-LJQANCHMSA-N 415.808 3.928 0 50 HHAA Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C=C[C@H]2C)c1 241644627 PSGUXWGANGRDER-XYEHWOGUSA-N 402.494 3.865 0 50 HHAA CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCCN1CCC[C@H](C)C1 248216662 GKXKHLBIZXSMRO-YWTNCRKHSA-N 417.638 3.582 0 50 HHAA O=C1CCN(C(=O)c2cccc(-c3ccccc3F)c2)CCN1Cc1ccccn1 299768369 MUYCFKOOCHMABY-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA COc1cccc(CN2CCC(Oc3ccccc3F)CC2)c1O[C@H](C)C(=O)O 1506400756 CECWQQYUMWDFGI-OAHLLOKOSA-N 403.450 3.730 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4noc(Cc5cccc(C)c5)n4)c3CO2)cc1 1775973546 UIHVMZNJIYFQOD-LJQANCHMSA-N 403.442 3.507 0 50 HHAA Cc1ccc2nc(O)c(-c3nccn3C[C@H](c3ccccn3)N3CCOCC3)cc2c1 1857683505 HOZMPJFWSJUWNS-JOCHJYFZSA-N 415.497 3.581 0 50 HHAA C[C@@H]1Cc2cc(S(=O)(=O)NC(=O)c3cccc(-n4cccc4)c3)cc(Cl)c2O1 1875343505 LICXDAMDKDXNJE-CYBMUJFWSA-N 416.886 3.573 0 50 HHAA Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCC(C)C)s3)CC2=O)cc1C 2100545181 IPYNAUNOBLWOCR-AWEZNQCLSA-N 404.561 3.895 0 50 HHAA COCc1csc(CNS(=O)(=O)c2ccc(Br)c(C)c2F)c1 2325874696 XNEURUVTTSOSLZ-UHFFFAOYSA-N 408.314 3.583 0 50 HHAA O=C(NC[C@@H](O)Cc1cccc(F)c1)Nc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 2325879264 OPQBBBYTZWEZRX-INIZCTEOSA-N 422.382 3.960 0 50 HHAA Cc1ccc(C(=O)Nc2c(C(=O)N3C[C@@H](C)O[C@H](C)C3)cnn2-c2ccccc2)cc1 751903 HJPKZEVFFLHINQ-QZTJIDSGSA-N 418.497 3.682 0 50 HHAA CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 2853602 WCAFMGZKRJYAQQ-SFHVURJKSA-N 400.837 3.692 0 50 HHAA COc1cc(C=O)cc(I)c1OCCOc1ccc(C)cc1 2866681 USDMFBMILYPVHS-UHFFFAOYSA-N 412.223 3.879 0 50 HHAA CCOc1ccc(N2C(=O)C[C@H](SCCC(=O)Nc3ccc(F)cc3)C2=O)cc1 2885177 RBXSXSHEJORWED-SFHVURJKSA-N 416.474 3.618 0 50 HHAA CCOC(=O)C[C@H](NC(=O)N1CCC(CN2CCC(C)CC2)CC1)c1ccccc1 8607929 PRHNPNLYOGNCGQ-QFIPXVFZSA-N 415.578 3.834 0 50 HHAA Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cc(I)c[nH]2)cc1 470270123 GGDDDLIBBUQNMA-ZBFHGGJFSA-N 410.255 3.578 0 50 HHAA CCCOc1ccc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1C 231429764 QKUSHQFHLDRECQ-UHFFFAOYSA-N 402.560 3.912 0 50 HHAA O=C(N[C@]1(C(=O)O)COc2ccccc2C1)OCC1c2ccccc2-c2ccccc21 328290945 BSFSHWYRLWFJQC-VWLOTQADSA-N 415.445 3.984 0 50 HHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c1 43151171 YUOIRBBLTKYSQJ-HSZRJFAPSA-N 404.558 3.762 0 50 HHAA O=C(Nc1cccc2ncccc12)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 253388015 OATDXRLJHHUYLO-IYARVYRRSA-N 423.538 3.958 0 50 HHAA O=C(Cc1cc2c(cc1Cl)OCCO2)Nc1ccccc1OC[C@H]1CCCO1 952967574 MFNVZYMAUUTSED-OAHLLOKOSA-N 403.862 3.850 0 50 HHAA O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1CCC(c2cnccn2)CC1 170605885 QIVKISMNPOCVJF-UHFFFAOYSA-N 403.255 3.879 0 50 HHAA COc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1Cl 5027801 ZDTXSMRJHDNRSP-UHFFFAOYSA-N 403.891 3.638 0 50 HHAA CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1 5398933 GMHAEUORSOALFN-UHFFFAOYSA-N 412.449 3.661 0 50 HHAA CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 11818675 HVWOJMURFHTIII-IBGZPJMESA-N 405.498 3.658 0 50 HHAA COc1cc(C(=O)NCc2ccc(Cl)s2)ccc1OC1CCN(C(C)=O)CC1 11844132 XQSFOLVOZTUHIL-UHFFFAOYSA-N 422.934 3.730 0 50 HHAA CC(C)n1cc(C(=O)N[C@H](C)c2ccco2)c(=O)c(C(=O)N2CCCCCCC2)c1 11872826 MGIRMBSDDQQJSC-QGZVFWFLSA-N 413.518 3.920 0 50 HHAA COc1cc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc2c1OCO2 11934117 ZAGAYOJZYQAPMC-JOCHJYFZSA-N 403.906 3.895 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)Cn4cccn4)C3)c2)c1 12304245 FWWMYZUKZXMMRH-OAQYLSRUSA-N 402.498 3.736 0 50 HHAA CS(=O)(=O)c1ncc(CN2CCC[C@@H]2c2nccs2)n1CC1CCCCC1 12317211 RYZTXGHZXPGRGZ-QGZVFWFLSA-N 408.593 3.661 0 50 HHAA CC(=O)c1ccc(OCC(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)cc1 12432866 ANQKKYALLDXINW-HSZRJFAPSA-N 408.542 3.824 0 50 HHAA CCn1cc(CN(CCOC)CC2CCN(Cc3ccccc3OC)CC2)c(C)n1 12473796 JUUJTEZYSNRWMN-UHFFFAOYSA-N 414.594 3.581 0 50 HHAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccccc2SC)CC1 12748286 BYMWNYVFJNWGDV-LJQANCHMSA-N 417.619 3.641 0 50 HHAA CC(C)c1cc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)n(C)n1 13593794 KWZMFBCRYPGUKU-QGZVFWFLSA-N 414.525 3.631 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)Cc4ccc(F)cc4)C3)[nH]n2)cc1 169753660 QLVFFXUACFSUPY-IBGZPJMESA-N 408.477 3.552 0 50 HHAA COCCN1CCC[C@@H](Cn2ccnc2-c2cc3ccc(Cl)cc3nc2O)C1 1857695950 GCPWADHZIRDRPL-OAHLLOKOSA-N 400.910 3.816 0 50 HHAA CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 4330417 WTNNWODXWANIPM-UHFFFAOYSA-N 415.906 3.825 0 50 HHAA Cc1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)ccc1F 1078164 LFKNJGGVJTZKQF-UHFFFAOYSA-N 403.306 3.952 0 50 HHAA CCc1c2c(nc3sc(C(=O)NC[C@@H]4CCCO4)c(N)c13)CC(C)(C)CC2=O 2827218 QTDWUZAEXPWZTI-NSHDSACASA-N 401.532 3.505 0 50 HHAA O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCCCn1ccnc1 6467723 YCIBNYVYONMKAB-UHFFFAOYSA-N 414.512 3.935 0 50 HHAA CC(C)[C@@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 626453 IMWGEOYOILNHFC-INIZCTEOSA-N 401.260 3.708 0 50 HHAA CCOC(=O)c1c(N[C@H](NC(C)=O)C(Cl)(Cl)Cl)sc(C(C)=O)c1C 822189 NWVMWSMKCZZQFW-ZDUSSCGKSA-N 415.726 3.680 0 50 HHAA CC(=O)Oc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1 1127360 PPPOJPSFNLUEED-UHFFFAOYSA-N 403.847 3.948 0 50 HHAA CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Br 1782534 LXXYBCJAIZYCQG-SFHVURJKSA-N 415.287 3.835 0 50 HHAA biogenic CC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 2892030 KVASNLSFHXVCBG-UHFFFAOYSA-N 415.342 3.709 0 50 HHAA CCc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3N2)cc1 6760261 BTTQUKQEJKPQNI-DLBZAZTESA-N 408.424 3.578 0 50 HHAA COc1ccc(-c2noc(CN(C)C(=O)c3cccc(Br)c3)n2)cc1 7720443 MQCUIXMYQMNHDA-UHFFFAOYSA-N 402.248 3.780 0 50 HHAA Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCN(c3ncccn3)CC2)o1 55343034 NPNQJMNCKHHCEE-UHFFFAOYSA-N 418.476 3.692 0 50 HHAA CCOC(=O)c1cc2cc3c(cc2oc1=O)N(CCCC(=O)O)C(C)(C)C[C@H]3C 100079931 WNDDWSAHNYBXKY-CYBMUJFWSA-N 401.459 3.927 0 50 HHAA in-vitro Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 20102252 HIAVMHRHRWHXQM-SFHVURJKSA-N 417.488 3.558 0 50 HHAA Cc1nc2nc3ccn(Cc4ccccn4)c(=O)c3c(-c3ccccc3Cl)n2n1 40398405 WEPFBGRQQYNZDH-UHFFFAOYSA-N 402.845 3.511 0 50 HHAA O=C(COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1)c1ccc(F)cc1 239339056 LQCKGNBDIKFRTN-ZNHHMURHSA-N 417.436 3.645 0 50 HHAA O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 245227704 LZILBDLXYOPFAT-POHNSKBLSA-N 402.425 3.636 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nc(-c5cccnc5)no4)C3)n[nH]2)cc1 952992140 ZHHIUWNXJTUPQX-SFHVURJKSA-N 414.469 3.850 0 50 HHAA CCN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@H](C)c1ccc(F)cc1 165013082 RFJWEHPPJXCHNK-CYBMUJFWSA-N 414.449 3.844 0 50 HHAA Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN[C@H]2CCC[C@@H]2Cc2ccccc2)n1 170607281 HAZYCDDSJJFPDZ-RTWAWAEBSA-N 418.545 3.527 0 50 HHAA O=C(NC[C@]1(O)CCCc2ccccc21)c1c[nH]nc1-c1cccc(OC(F)F)c1 743345653 VFZUETJVPPEEGX-JOCHJYFZSA-N 413.424 3.632 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4ccsc4)C3)C2=O)c1 11816634 AYRMWDQNOXOGRM-NRFANRHFSA-N 402.491 3.551 0 50 HHAA COc1c(C)cc(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1C 12372783 LPYUOFTXANLMSL-IBGZPJMESA-N 401.528 3.737 0 50 HHAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)C2CCCC2)CC1)c1ccccc1 12709377 DUZQQVNLJGDLPB-OAQYLSRUSA-N 410.518 3.563 0 50 HHAA Clc1ccc(-n2cccc2CN2CCc3nnc(-c4ccccc4)n3CC2)nc1 19229550 YGQPYJXENQNZDR-UHFFFAOYSA-N 404.905 3.843 0 50 HHAA O=C(c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2)N1CCN(c2ccccc2)CC1 169759580 XTWOAGSKEMTIDI-JOCHJYFZSA-N 422.916 3.770 0 50 HHAA O=C(O)[C@H]1CCN(Cc2ccc3c(c2)C2c4ccccc4C3c3ccccc32)C[C@H]1O 1704312810 BKXPOLOBVDKGMG-AVZIXUTMSA-N 411.501 3.941 0 50 HHAA CC(=O)c1ccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)s1 1875253636 JVLIYSSYSIFGMS-HXUWFJFHSA-N 406.507 3.859 0 50 HHAA C[C@@H](c1ccccc1)N1CCC(N=c2nc[nH]n3c(Br)ccc23)CC1 1875256729 MHRRLCXHACTGDI-AWEZNQCLSA-N 400.324 3.551 0 50 HHAA Cc1cc(Br)cc2[nH]c(C(=O)N3CSC[C@H]3C(=O)N(C)C(C)C)cc12 1875335040 QHQLNWLSVQQZNY-INIZCTEOSA-N 424.364 3.621 0 50 HHAA COc1cc(Cl)nc(COC(=O)c2nnn(-c3cccc4cnccc34)c2C)c1 1776002737 AQVCGJOOPCZNJB-UHFFFAOYSA-N 409.833 3.538 0 50 HHAA CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@@H]1c1cc(C)ccc1C 1060008 PFTNYGXOEAEAID-OAQYLSRUSA-N 404.470 3.524 0 50 HHAA aggregator COCCn1ccnc1NC(=O)c1cccnc1Oc1ccccc1Br 2325855826 QIRXRMGRQPHCJW-UHFFFAOYSA-N 417.263 3.732 0 50 HHAA CCN(C(=S)NC(=O)c1ccccc1I)c1ccccc1 676701 TZIXURJIBLKPIB-UHFFFAOYSA-N 410.280 3.832 0 50 HHAA COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 804699 GXENXKZIUZYPKR-UHFFFAOYSA-N 420.556 3.844 0 50 HHAA CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 2884118 ORSLUOZQNGZUJB-UHFFFAOYSA-N 420.556 3.601 0 50 HHAA O[C@@H](COc1cccc(CNCc2ccccc2)c1)CN1CCc2ccccc2C1 11950817 NWKOQLFUZMWAGA-RUZDIDTESA-N 402.538 3.774 0 50 HHAA O=C1CCN(Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccccc1F 11964281 UHGWSMDMEJZCIL-UHFFFAOYSA-N 406.461 3.643 0 50 HHAA COc1ccccc1CCN1CCC(CN(C)C(=O)c2ccc(N(C)C)cc2)CC1 12440014 SCKQPJZDXWQFTP-UHFFFAOYSA-N 409.574 3.788 0 50 HHAA Cc1nc([C@@H](C)NC(=O)c2cccc(OC3CCN(C(=O)C4CC4)CC3)c2)cs1 14948120 XCNNGUZNRXGVKH-CQSZACIVSA-N 413.543 3.722 0 50 HHAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)c1ccc(OC)cc1 14997651 NTOTYODEUAOBHP-UHFFFAOYSA-N 423.513 3.607 0 50 HHAA FC(F)(F)c1cc(C2CC2)n(CCCNC(=S)Nc2ccc3c(c2)OCO3)n1 17089121 LPMAZDHZGMKFDB-UHFFFAOYSA-N 412.437 3.885 0 50 HHAA Cc1cccn2c(CN(C)C[C@H]3Cc4ccccc4O3)c(C(=O)N3CCCCC3)nc12 19229183 MVTMEDJGGSLEJJ-HXUWFJFHSA-N 418.541 3.704 0 50 HHAA COc1ccc2ccc(OCc3nc(C(=O)N4[C@H]5CC[C@@H]4C[C@H](O)C5)co3)cc2c1 102251884 OEZRNHRYFWIFCA-PIIMJCKOSA-N 408.454 3.543 0 50 HHAA CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1 144381557 LPHHQYKGKRJZTF-AWEZNQCLSA-N 412.490 3.767 0 50 HHAA Cc1ccc([C@@H]2Cn3nnc(-c4noc(COc5ccc(F)cc5)n4)c3CO2)cc1 169769343 ZEWZQHARVRWINY-SFHVURJKSA-N 407.405 3.626 0 50 HHAA O=C1c2ccccc2C(=O)N1Cc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 225403115 XXNJSRMBGXBRRE-UHFFFAOYSA-N 405.417 3.741 0 50 HHAA C[C@@H]1CN([C@@H](CNC(=O)[C@@]2(C)CC2(Cl)Cl)c2c(F)cccc2Cl)CCO1 229710554 AYFYGMHDTPKBTO-HYSWKAIVSA-N 423.743 3.941 0 50 HHAA C[C@H](NC(=O)CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)c1ccco1 240407427 FMDJRKFQSBBPQJ-LRDDRELGSA-N 410.301 3.867 0 50 HHAA COCCn1c([C@@H](C)NC(=O)c2cc(-c3ccccc3OC)[nH]n2)nc2ccccc21 252485161 GOJXBOKYUIAERR-OAHLLOKOSA-N 419.485 3.572 0 50 HHAA O=C([C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1)N1CCc2ccccc21 253370476 RGWWRNWYVJKABT-QIJUGHKUSA-N 410.539 3.598 0 50 HHAA O=C(Nc1nccs1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 253388011 MAUWEGNLLCTYCX-JOCQHMNTSA-N 413.952 3.520 0 50 HHAA COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cc1ccc(F)cn1)CC2 253417733 IGOALIHNPYFMAZ-DEOSSOPVSA-N 406.457 3.955 0 50 HHAA CCCOc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)c(OCCC)c1 430094505 KMLUXRFJEVBYQD-IIBYNOLFSA-N 401.507 3.648 0 50 HHAA O=C(Cc1cnn(-c2ccccc2)n1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 768946440 CDVDVVOUCHQQDN-MRXNPFEDSA-N 407.543 3.551 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 792610808 UXFXVOFZJHHDLR-SFHVURJKSA-N 401.507 3.673 0 50 HHAA CN(CCCOc1ccccc1Cl)C(=O)CN1C[C@H](c2ccccc2)CC1=O 952976888 MWCAYYXUTZXZAQ-GOSISDBHSA-N 400.906 3.583 0 50 HHAA CCOc1cc2c(cc1CNC(=O)[C@@H]1CC(c3cc(C)ccc3C)=NO1)O[C@H](C)C2 1264928496 BXPXUMWYFRCOSU-MWTRTKDXSA-N 408.498 3.835 0 50 HHAA O=C(c1cccc2sc(C(F)(F)F)nc12)N1CCN(c2cccc(F)c2)C(=O)C1 2325757827 KXHDRWHBBLTTHD-UHFFFAOYSA-N 423.391 3.943 0 50 HHAA CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)N1Cc2nc(O)nc(O)c2C1 2325824431 AUCIDCRXHJGWQU-MRXNPFEDSA-N 423.517 3.545 0 50 HHAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NC1(c2cc(F)ccc2F)CC1 2356165403 HAPUSFSKPXNDDS-UHFFFAOYSA-N 410.420 3.662 0 50 HHAA CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)c4ccccc4)c(N)c23)CO1 657661 DGOJGYLHGQHSQH-UHFFFAOYSA-N 423.538 3.797 0 50 HHAA COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 754419 MZFXGYGCCGKTFS-NRFANRHFSA-N 400.434 3.541 0 50 HHAA COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)c(OC)c1 1184187 RMNKMAIUSJNXOH-FQEVSTJZSA-N 411.527 3.752 0 50 HHAA CCCCOc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1OC 1829471 HSXZGDUOAJCWEP-XSFVSMFZSA-N 421.522 3.862 0 50 HHAA C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2850593 BVHXPAFRZLTIAH-AWEZNQCLSA-N 407.283 3.704 0 50 HHAA COc1ccc([C@H](CC(=O)O)NC(=O)COc2ccccc2C(C)C)cc1OC 3626928 FFUJSBLQNDHRCM-KRWDZBQOSA-N 401.459 3.538 0 50 HHAA CCCC[C@@H](C(=O)OCC(=O)c1ccc(C)c(C)c1)N1C(=O)c2ccccc2C1=O 4724972 RBGNXTQTPPNDIY-FQEVSTJZSA-N 407.466 3.884 0 50 HHAA COc1ccc(CN2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)cc1 11661973 AMJBTEHBZMMFNI-UHFFFAOYSA-N 408.498 3.928 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccc(Br)cc12 12375152 VWLLHXQMOPYVFY-UHFFFAOYSA-N 401.216 3.523 0 50 HHAA CSc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCCCC1 16651906 WFLWGAHNRAOQLS-UHFFFAOYSA-N 408.520 3.975 0 50 HHAA O=C(CCc1ccccc1)Nc1nnc(SCC(=O)Nc2ccccc2F)s1 16996186 AUGGEMGGMSZXOG-UHFFFAOYSA-N 416.503 3.979 0 50 HHAA Cc1nn2c(ncc3c(=O)n(-c4ccc5c(c4)OCO5)ccc32)c1-c1ccc(F)cc1 19821339 XYMAEIXWBIOAJL-UHFFFAOYSA-N 414.396 3.877 0 50 HHAA CCN1CCN(CC(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)CC1 23374853 VVPMGDOOYXWVFF-UHFFFAOYSA-N 408.521 3.536 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2C=Cc3cc(C)ccc3N21 137344327 MCVQPHGFLFSMLD-DXBBTUNJSA-N 420.896 3.936 0 50 HHAA CC(C)c1cc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)nc2ncnn12 1506404726 ADTQPUFIRHDWQX-MFSJNOQSSA-N 419.529 3.540 0 50 HHAA O=C(c1cc2c(nc1O)CCCC2)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1506416742 YNEGWYAENWNLFH-NIRIFSCTSA-N 406.526 3.959 0 50 HHAA Cc1cc(C)n2ncc(-c3nccn3-c3ccccc3OC3CCN(C)CC3)c2n1 1857694932 ZXBMVTCKRSQJNE-UHFFFAOYSA-N 402.502 3.672 0 50 HHAA CCCN1CCC[C@@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCc2cccnc2)C1 1875249487 VVYIXGYAXHLVNU-RUZDIDTESA-N 414.557 3.657 0 50 HHAA O=C(NCCCc1nc(-c2ccc(F)cc2)no1)NCc1cc(-c2ccccc2)n[nH]1 1875352733 BUNGVHULZHAUMU-UHFFFAOYSA-N 420.448 3.698 0 50 HHAA C=CC(=O)NC[C@H](NC(=O)[C@H]1COc2ccc(F)cc2C1)c1ccc2ccccc2c1 1875383055 DXDXRULCJKKTRW-IRLDBZIGSA-N 418.468 3.690 0 50 HHAA COc1cc(C(=O)Nc2ccc(OC[C@H]3C[N@@]3CC(C)C)cc2)cc(OC)c1OC 1875385398 SDKAZASUIFCHEO-IQGLISFBSA-N 414.502 3.684 0 50 HHAA Cn1nnc([C@@H]2CN(Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)CCO2)n1 2100548339 XYCWNVLJHJQFII-SFHVURJKSA-N 419.407 3.595 0 50 HHAA C[C@H](OC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)C(=O)c1c(F)cc(F)cc1F 2325747540 VPLQWOPRZAJDIP-NSHDSACASA-N 419.330 3.822 0 50 HHAA CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCc2ccccc2)ccc1O 659261 XRSDPFOTSXRUAP-NRFANRHFSA-N 410.470 3.547 0 50 HHAA Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(Br)cc1 678025 GIEUVCPEVHPAFB-UHFFFAOYSA-N 407.318 3.889 0 50 HHAA Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)CCC2=O)cc1 1062678 DVYHMPUWVVPVGU-UHFFFAOYSA-N 419.264 3.691 0 50 HHAA COc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1OC 1156704 DMJDYZHVYSTPTQ-UHFFFAOYSA-N 402.878 3.848 0 50 HHAA Cc1cc(C)n(-c2ccc3cccc(Nc4nccc(N5CCC[C@H](O)C5)n4)c3n2)n1 2356161255 MSLWDOUEWIXLRJ-SFHVURJKSA-N 415.501 3.532 0 50 HHAA O=C(NCc1ccccn1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 6673600 PQTYYDAZZGSVKV-IAGOWNOFSA-N 401.392 3.868 0 50 HHAA Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cc(I)c[nH]2)cc1 470270122 GGDDDLIBBUQNMA-HOCLYGCPSA-N 410.255 3.578 0 50 HHAA O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@@H]1CCSc2ccc(Cl)cc21 229587394 OSJGOZSIGRWJOF-IIAWOOMASA-N 406.935 3.558 0 50 HHAA COc1ccccc1[C@H]1CC(=O)N(c2cccc(Br)c2)C2=C1C(=O)OC2 1427648 RVHFRNZWHBGGRI-OAHLLOKOSA-N 414.255 3.789 0 50 HHAA O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2c(n3ccsc3nc2=O)N1 4770538 VDWVFQRBELOPSK-QGZVFWFLSA-N 403.463 3.809 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 238900195 HXJRKUHQBVJCQZ-VAMGGRTRSA-N 424.840 3.993 0 50 HHAA CCOC(=O)N1CCN(C(=O)C[C@H](c2cccc3ccccc23)n2cccc2)CC1 263587547 ICWSRESSUDNQFK-JOCHJYFZSA-N 405.498 3.922 0 50 HHAA CC(=O)c1cc(CC(=O)N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)cs1 827884226 BJFLSLQGJNSWHT-UHFFFAOYSA-N 408.479 3.846 0 50 HHAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCCc2ccc(F)cc2)CC1 11815421 IVIFARGOHCYVLH-UHFFFAOYSA-N 418.896 3.841 0 50 HHAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc(F)cc1 11952600 GWBJUOKDXOHPCE-LJQANCHMSA-N 415.528 3.881 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)Cc4nonc4C)C3)c2)c1 12456371 TVJPTUNFMMKWHA-HXUWFJFHSA-N 418.497 3.773 0 50 HHAA CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN([C@H]1CCSC1)CC2 14543182 PJXUKERIHJIRLQ-FQEVSTJZSA-N 409.555 3.574 0 50 HHAA Cc1cnc(C(=O)N(C)C[C@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cn1 14978804 MNYMXSNDUNATRN-GOSISDBHSA-N 420.479 3.831 0 50 HHAA COc1ccc(CN2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CCC2=O)cc1 14988732 IITWLYKICYSBKL-UHFFFAOYSA-N 412.917 3.641 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H]2CN(CCc3ccccc3)CC[C@@H]21 15068656 DDVUSBQXFNNLJX-PKTZIBPZSA-N 420.553 3.904 0 50 HHAA CNc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)ccn1 19144015 WJTQUCSPFNXIQS-JOCHJYFZSA-N 400.473 3.530 0 50 HHAA CC[C@@H](C(=O)NCc1nnc2c(-c3nc(C(C)C)no3)cccn12)c1ccccc1 169775916 AKUONTZRUUFQFE-MRXNPFEDSA-N 404.474 3.713 0 50 HHAA CC1(C)C[C@@H](C(=O)N2CCC3(CCc4c(O)nc(-c5ccccc5)nc43)CC2)CCO1 1857722030 CRJCZRTYFIXFGP-SFHVURJKSA-N 421.541 3.861 0 50 HHAA Cc1cc(NC(=O)c2cc3ccccc3o2)cc(C)c1OCC(=O)N1CCOCC1 1140797 CTCLBOGNMQVBGL-UHFFFAOYSA-N 408.454 3.540 0 50 HHAA COc1cc(NC(=O)c2cc(Br)cc3[nH]cnc23)ccc1NC(C)=O 225726267 IJJWTNJTWQYPJL-UHFFFAOYSA-N 403.236 3.545 0 50 HHAA O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)c1cccc(-c2ccccc2)n1 1875378778 DQCSTSVKVCAVAF-IBGZPJMESA-N 422.282 3.656 0 50 HHAA CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(Oc2ccccc2)cc1 840654 BSXSZHNTGGRNLL-UHFFFAOYSA-N 410.495 3.561 0 50 HHAA C[C@H]1CC[C@@H](C)N1Cc1nc(-c2ccc(NC(C)(C)C)cn2)nn1CCCN(C)C 2325872477 ZQGFTHZRIZDFNR-HDICACEKSA-N 413.614 3.875 0 50 HHAA CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@H](CO2)[C@@H]1C/C=C\CCCC(=O)NCC(=O)OC 100016764 STIYTIWKJAUJKK-NKDIASRKSA-N 421.578 3.541 0 50 HHAA in-vitro Cc1c(CN(C)C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cnn1C 815284 SMQBFVBFVMJAPJ-UHFFFAOYSA-N 410.428 3.648 0 50 HHAA Cc1cc(Br)cc(C)c1OCC(=O)NCCc1nc2ccccc2[nH]1 955062 SWBSBHMMMQRBNT-UHFFFAOYSA-N 402.292 3.680 0 50 HHAA CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OS(C)(=O)=O 2203844 DRTNEMOLKLVAML-UHFFFAOYSA-N 416.451 3.522 0 50 HHAA biogenic COCCCNC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCCC2 2668426 KBJZQMOGKYZDRZ-UHFFFAOYSA-N 402.516 3.654 0 50 HHAA CC(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 4412724 XVFMCLNTGIVDFX-UHFFFAOYSA-N 403.935 3.739 0 50 HHAA CC(=O)c1c(S)nc(-c2ccccc2)nc1N1CCN(Cc2ccccc2)CC1 6552901 XUUIPOIEZCJKRG-UHFFFAOYSA-N 404.539 3.957 0 50 HHAA C[C@H](CCCC(C)(C)O)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 11662055 JABLBUPCDRAROT-QGZVFWFLSA-N 416.562 3.526 0 50 HHAA Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cn1 11813224 YLMWBCAEIWPRLL-UHFFFAOYSA-N 417.513 3.683 0 50 HHAA O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)/C=C/c1cccs1)CC2 12149730 LAZZFUKLQNNVID-RRFGBZISSA-N 409.555 3.534 0 50 HHAA CCOC(=O)N1CCC(N2CCC3(CC2)C[C@@H]3C(=O)Nc2cc(C)cc(C)c2)CC1 12331343 CQCCPAVVHOWEFD-OAQYLSRUSA-N 413.562 3.965 0 50 HHAA CCCCn1c(CN2CCC[C@H](COC)C2)cnc1S(=O)(=O)CCCC(C)C 12439037 GQQAFFIQFSYFKG-IBGZPJMESA-N 413.628 3.752 0 50 HHAA CN1N=C(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CCC1=O 12711250 PPIPAWRPRKPIDG-SFHVURJKSA-N 419.481 3.508 0 50 HHAA COc1cccc(-c2nc(CN3CCN(C4CCCCC4)C(=O)C3)c(C)o2)c1OC 55089140 XYLJVQICPCMVPC-UHFFFAOYSA-N 413.518 3.644 0 50 HHAA Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCN(C)CC2)CC[C@H](C)C3)c1 55196063 UIVUNPCCCJCGRQ-INIZCTEOSA-N 411.571 3.821 0 50 HHAA CCCC(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 55556810 FTTXHOKRIWZNMK-UHFFFAOYSA-N 414.550 3.761 0 50 HHAA CCc1ccc2nc([C@H]3CC(=O)N(c4ccc(Br)cc4)C3)[nH]c(=O)c2c1 170596422 WDOFRGKRLSTPAR-ZDUSSCGKSA-N 412.287 3.769 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)CS(=O)(=O)CC)c2C(=O)OC(C)(C)C)C1 170607585 WWIDXHAQUOIAJN-GFCCVEGCSA-N 415.577 3.592 0 50 HHAA COc1ccc(-c2nn3c(nc2=O)-c2cc(Cl)ccc2N[C@@]32CCSC2)cc1 170620147 BATHXMZGSHGJGF-FQEVSTJZSA-N 412.902 3.850 0 50 HHAA O=C(c1cc(OCc2ccccc2)ccc1O)N1CCN(c2ncccc2Cl)CC1 170634667 VGZFDCALHPUDCP-UHFFFAOYSA-N 423.900 3.982 0 50 HHAA O=C(CCn1ccc2ccc(Br)cc21)N[C@H](Cc1ccccc1)C(=O)O 206213349 CRUFPYGTYWRPMU-QGZVFWFLSA-N 415.287 3.606 0 50 HHAA O=C(Nc1ccc(Br)cc1)c1ncn(-c2ccc(OC(F)F)cc2)n1 261490558 IFQQCWLLLGBKDS-UHFFFAOYSA-N 409.190 3.884 0 50 HHAA COc1ccc(NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)cn1 263586079 PTOKKWQSVZTFKV-SFHVURJKSA-N 424.501 3.656 0 50 HHAA biogenic Cc1nn(CC(=O)NCC[C@@H](c2ccccc2)c2ccco2)c(=O)c2ccccc12 670437268 DMMGEUYFUYOCJP-FQEVSTJZSA-N 401.466 3.636 0 50 HHAA O=C(CC1CCN(Cc2ccccc2)CC1)N1CCC[C@H](OCc2ccccn2)C1 952962203 CKLDUOXCWFEBRQ-DEOSSOPVSA-N 407.558 3.892 0 50 HHAA Cc1ccc2c(c1)c(=O)c(C(=O)N(CCOc1ccccc1)C[C@H]1CCCO1)cn2C 952978970 CNODVTMUDAFUBB-HXUWFJFHSA-N 420.509 3.547 0 50 HHAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1C[C@H]2CC=CC[C@H]2C1 1506421090 DZTUXPCFNUDEAS-TXEJJXNPSA-N 402.394 3.849 0 50 HHAA C[C@@H](OC[C@H](O)CN1CCN(c2ccncc2Cl)CC1)c1ccc(Cl)cc1 1875253079 QFNRSUWDTAOHSZ-CRAIPNDOSA-N 410.345 3.649 0 50 HHAA CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)c2ccccc2)n1C 1074742 YYGLFPQFNUNDPH-IBGZPJMESA-N 408.527 3.917 0 50 HHAA O=C(NCc1ccccn1)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 1114027 VTMMCFJKPFDVQT-UHFFFAOYSA-N 408.527 3.577 0 50 HHAA COc1ccccc1OCCCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 1903337 UIVHJLGDSSBWBR-UHFFFAOYSA-N 420.512 3.506 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c(C)c1 67620859 UNRVSTUVJZMADN-UHFFFAOYSA-N 408.550 3.746 0 50 HHAA C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(C)[C@H]1CCCc2ccccc21 252022269 ZIXHHZJJVCNDCX-JPYJTQIMSA-N 403.530 3.796 0 50 HHAA O=C(CC1(n2cccc2)CCOCC1)Nc1ccccc1OCCN1CCCCC1 409413570 IWJAMFJJYSCVLO-UHFFFAOYSA-N 411.546 3.887 0 50 HHAA CN(C)C(=O)C[C@@H]1CN(C(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)c2ccc(Cl)cc21 476101575 AUAPCBXTJMKROB-WHPAKCSASA-N 410.945 3.643 0 50 HHAA NC(=O)[C@@H]1CCCN(Cc2cccc(CN[C@@H]3CCCOc4ccc(F)cc43)c2)C1 482636848 ACUSLUYAUQRTRU-DENIHFKCSA-N 411.521 3.527 0 50 HHAA O=C(c1c[nH]n2c1nc(=O)c1ccccc12)N1C[C@H](c2ccccc2)c2ccccc21 444512578 IJYCPNJEQIYVNW-HXUWFJFHSA-N 406.445 3.968 0 50 HHAA CCCN(C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)C1CCCC1 82097619 JOZRIMGDSFHXFQ-JOCHJYFZSA-N 412.622 3.939 0 50 HHAA CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1cccs1 248216579 GIVXEPLJHRKPOA-DSLXNQLJSA-N 406.507 3.615 0 50 HHAA COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cc2ccccc2n(CC(C)C)c1=O 253413975 WCZBLOXCZPWVQL-MRXNPFEDSA-N 423.465 3.787 0 50 HHAA biogenic Cc1ccc(SC2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)cc1 825181704 YHKLSNRLRAEQOY-SFHVURJKSA-N 409.555 3.522 0 50 HHAA Cc1ccc(C)c(OCC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)c1C 1704352017 VLPKWSCIPCVZMF-NFBKMPQASA-N 404.510 3.913 0 50 HHAA CCc1nc(N2C[C@H]3CN(Cc4nccs4)C[C@@]3(CCc3ccccc3)C2)no1 1772813456 BCZSEZQCGMYHQX-GCJKJVERSA-N 409.559 3.660 0 50 HHAA O=C(NCc1cccc(-n2cccn2)c1)c1cn(Cc2cccc3ccccc23)nn1 12002690 USZKJRURGIPXPX-UHFFFAOYSA-N 408.465 3.595 0 50 HHAA C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c2)C1=O 12003845 RQLTVYIEIWOUTC-AWEZNQCLSA-N 400.500 3.549 0 50 HHAA CN(CC(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1)Cc1cccnc1 12434742 AYTBKRYPBUHCTP-HSZRJFAPSA-N 401.510 3.788 0 50 HHAA CC(C)N(Cc1nccn1C)C(=O)c1cc(COc2cccc3cccnc23)on1 12441393 AMXZZNVSFWULLI-UHFFFAOYSA-N 405.458 3.586 0 50 HHAA CC(C)=CCN1CCC[C@@]2(C(=O)NCCCc3ccccc3F)CCN(C)C[C@H]12 1857680783 OTCUIUOSWQDEKN-LADGPHEKSA-N 401.570 3.627 0 50 HHAA CCC(CC)C(=O)N1CCC(Oc2cccc(CN(C)Cc3nonc3C)c2)CC1 11881878 RRPXSEADMZZOTP-UHFFFAOYSA-N 414.550 3.816 0 50 HHAA NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)cc3F)nc12 1875350271 HIKZQXUSTHILCX-UHFFFAOYSA-N 409.808 3.540 0 50 HHAA C[C@@H]1C[C@H](N(C)c2ncnn3c(Br)ccc23)CCN1Cc1ccccc1 1875405634 KVOYAPCQANYCKN-NVXWUHKLSA-N 414.351 3.981 0 50 HHAA CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(Oc2ccccc2)cc1 2905928 KTQAPDZOKLIUJT-UHFFFAOYSA-N 424.522 3.604 0 50 HHAA O=C(C[C@H]1CC1(Cl)Cl)NCCCCCNC(=O)C[C@@H]1CC1(Cl)Cl 2325702692 VHKDFDVMQGOLLD-PHIMTYICSA-N 404.165 3.557 0 50 HHAA CCSc1nnc2c(n1)O[C@H](c1cc(OC)c(O)c(OC)c1)Nc1ccccc1-2 705653 YLHZKFUMTVTUKM-GOSISDBHSA-N 412.471 3.877 0 50 HHAA Cc1ccc(N2C[C@H](C(=O)Nc3ccc(I)cc3)CC2=O)cc1 851726 CAYGRHYDXHMLDD-CYBMUJFWSA-N 420.250 3.591 0 50 HHAA Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)oc2ccccc12 908239 QYZOSGAAQXZUPP-UHFFFAOYSA-N 408.439 3.584 0 50 HHAA N=C1S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1nonc1N 1001498 KLTFUTAMWVTLMG-FQSQMWCKSA-N 421.360 3.986 0 50 HHAA COc1ccc(CCNC(=O)CSc2ccc(-c3cccs3)nn2)cc1OC 6858790 MPTSQYQEAMZNQO-UHFFFAOYSA-N 415.540 3.673 0 50 HHAA Cc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 9423335 SNUWDGZWQXVVEL-MRXNPFEDSA-N 406.461 3.756 0 50 HHAA O=C(Nc1nccs1)c1cc(S(=O)(=O)NC2CCCC2)c(Cl)cc1Cl 11027311 NZAUWVCPHBKBLB-UHFFFAOYSA-N 420.343 3.923 0 50 HHAA O=C(CCC1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1)Nc1ccc2c(c1)OCCO2 11763344 KDHQOTPUCKQUHL-WSTZPKSXSA-N 410.514 3.627 0 50 HHAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C2CCN(C(C)=O)CC2)C1 12052583 MHRHKCIPQQRAHL-QFIPXVFZSA-N 406.954 3.539 0 50 HHAA COC1CCN(Cc2cc(Cl)ccc2OC[C@@H](O)CN2CCCCCC2)CC1 12373515 DIMJSCUULTYOQA-FQEVSTJZSA-N 410.986 3.567 0 50 HHAA CCc1nn2c(nnc3c(=O)n(-c4ccc(NC(C)=O)cc4)ccc32)c1-c1ccccc1 12389935 JMULESGVULEFOH-UHFFFAOYSA-N 424.464 3.616 0 50 HHAA CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)CCC(=O)c2ccc(OC)cc2)C1 12434488 VQZVDDPZASIRKT-NRFANRHFSA-N 409.530 3.566 0 50 HHAA CCC[C@@H](NC(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccccc1 12475877 HKLDTRCYLOVAJB-GOSISDBHSA-N 407.470 3.979 0 50 HHAA COc1cc(Cl)ccc1OCc1cc(C(=O)N(CCO)Cc2ccccc2)no1 12577509 JTWYNGDWGIPKID-UHFFFAOYSA-N 416.861 3.550 0 50 HHAA Cc1ccc(NC(=O)CSc2nc(O)c(C)c(=O)n2-c2ccccc2F)c(C)c1 16361483 HMAIHYQAEQVFMP-UHFFFAOYSA-N 413.474 3.733 0 50 HHAA COc1ccccc1N1CCN([C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)CC1 20211913 VOQMCADNYYLODA-FQEVSTJZSA-N 413.587 3.746 0 50 HHAA O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 104297070 LPRDKGYMPJZAIG-HQZQWKOLSA-N 402.425 3.636 0 50 HHAA Cc1cc(C)cc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1 169775765 WQPLTJITNZDLNO-UHFFFAOYSA-N 414.509 3.827 0 50 HHAA CS(=O)(=O)Cc1ccc(CNC(=O)N(c2ccccn2)C2CCCCC2)cc1 170616158 JWVFKFSDPSAWFV-UHFFFAOYSA-N 401.532 3.675 0 50 HHAA O=C(c1cccnc1Oc1ccc(F)cc1Br)N1[C@H]2CC[C@H]1CC(O)C2 170633165 RQGGBEOTWXUVSA-STQMWFEESA-N 421.266 3.903 0 50 HHAA COc1cccc(CN(Cc2ccccc2F)C(=O)[C@H]2CCC[C@H](O)C2)c1OC 220716271 NCIHNLFOIZMXKX-LPHOPBHVSA-N 401.478 3.923 0 50 HHAA CN(C)Cc1cc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)ccc1Cl 225633412 OLDAZBKZEVJRNI-UHFFFAOYSA-N 409.914 3.851 0 50 HHAA Cc1ccc(S(=O)(=O)n2cc(C3OCCO3)c3cc(Br)ccc32)cc1 238850684 CNGPLOWSOGGOHR-UHFFFAOYSA-N 422.300 3.995 0 50 HHAA COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239433677 YHLRDPDXXHWSOQ-LBTBCDHLSA-N 411.479 3.587 0 50 HHAA C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 252444105 OWOBMBYGKWKREV-LPHOPBHVSA-N 415.534 3.532 0 50 HHAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H](c1ccc(Cl)cc1)n1cccc1 253401027 FIDRDMQSNRMNQY-VXKWHMMOSA-N 421.928 3.821 0 50 HHAA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 253498932 BCPZDSVCYKERMU-AFABFEFJSA-N 420.590 3.745 0 50 HHAA biogenic CN(C)C1(CNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)Cc2ccccc2C1 427466579 WGBLNINQUVUDEA-UHFFFAOYSA-N 400.935 3.621 0 50 HHAA CC[C@@H](OC(=O)c1cc(Cl)c(N)cc1OC)C(=O)c1ccc(NC(C)=O)cc1 748869857 VXVVMMQZKARGKU-QGZVFWFLSA-N 404.850 3.708 0 50 HHAA COc1cccc(Oc2ccc(NC(=O)c3ccccc3N3CCOCC3)cn2)c1 952965923 SLINIACULKUMBH-UHFFFAOYSA-N 405.454 3.971 0 50 HHAA O=S(=O)(NC1CC1)c1cccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1 1875256577 WWKSRVILPNBAHH-UHFFFAOYSA-N 409.389 3.863 0 50 HHAA CC(C)(C)NC(=O)c1ccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1 1875265233 ZMYFJKHIMYNQQD-UHFFFAOYSA-N 403.482 3.677 0 50 HHAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1ccc(C(F)(F)F)nc1 1940197545 YDDKJEKVCPUGBA-CRAIPNDOSA-N 401.388 3.636 0 50 HHAA O=C1C[C@H](CN=c2c(Br)c[nH]cc2Br)c2ccccc2N1 2325733795 MUQBDCOBQOILKX-SECBINFHSA-N 411.097 3.566 0 50 HHAA Cn1nc(CC(C)(C)C)cc1NC(=O)c1cccnc1Oc1ccccc1C(N)=O 2325748745 FVPVEUYMTBLTRO-UHFFFAOYSA-N 407.474 3.547 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCC[C@H]2c2ccc(Br)cc2)CC1 2325889387 NJRVZVBXUPHBBP-ROUUACIJSA-N 405.336 3.626 0 50 HHAA COC(=O)C1=CN(C2CCCCC2)C=C(C(=O)OC)C1c1ccc(OC)cc1OC 1118748 YUNHUULCHWHBME-UHFFFAOYSA-N 415.486 3.550 0 50 HHAA COc1ccc(CN2C(=O)[C@](O)(CC(=O)c3cccs3)c3ccccc32)cc1OC 2859056 OHYVXYQLSQWRCN-QHCPKHFHSA-N 423.490 3.773 0 50 HHAA Cc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 20103532 SRJAAHRUGMUFGU-OAQYLSRUSA-N 411.465 3.856 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1OC 23339135 FEYNIVGNYVZMGU-KRWDZBQOSA-N 415.559 3.855 0 50 HHAA Cn1nc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCN(c2ccccc2F)CC1 4708275 LPBRXESTACXJPL-UHFFFAOYSA-N 422.548 3.989 0 50 HHAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCN2CCCCC2=O)cc1 15075017 QYLCKYOWCGQNRG-FQEVSTJZSA-N 408.546 3.713 0 50 HHAA Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4[C@H]5C=C[C@@H](O5)[C@@H]4C(=O)O)cc3)sc2c1 225692697 DGNJHVRRXNEMGY-RWQQGDIJSA-N 406.463 3.864 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 248377952 IDFNNJUZUWUVHU-YCAMKHIRSA-N 408.457 3.944 0 50 HHAA CCCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 263584833 BIROQCBOOCIHGW-IGKWTDBASA-N 416.562 3.780 0 50 HHAA biogenic COC(=O)[C@H]1CCN(C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)C[C@H]1C 170609998 GPXLIMQMLRUVML-PBHICJAKSA-N 402.516 3.869 0 50 HHAA COC(=O)[C@@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@@H]1c1ccsc1 170601410 GFRSQZAFYQYSSU-VXGBXAGGSA-N 400.283 3.789 0 50 HHAA COc1ccc(CCNC(=O)/C(=C/c2ccc(C)o2)NC(=O)c2ccccc2)cc1 2152413 UQYFCXWAQQQNKN-JWGURIENSA-N 404.466 3.726 0 50 HHAA biogenic CC[C@H]1CN(Cc2ccc(Sc3nncn3C)o2)Cc2cc(OC)ccc2O1 11782231 HLILKBHMLPPMMR-HNNXBMFYSA-N 400.504 3.741 0 50 HHAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN1CCCCCC1 11843833 IKOTXIRIHNDITM-QHCPKHFHSA-N 415.622 3.674 0 50 HHAA O=C1CCN(Cc2cccn2-c2ccc(Cl)cn2)CCN1Cc1ccccc1F 12218372 LQUDLSOLEJRTLW-UHFFFAOYSA-N 412.896 3.899 0 50 HHAA COc1ccc(OCc2nc(C(=O)N(C)Cc3nc4c(C)cccc4[nH]3)co2)cc1 15067867 MUOSLYYIQIRIFE-UHFFFAOYSA-N 406.442 3.719 0 50 HHAA OCC[C@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CCN1Cc1ccccc1 19595592 HALIIDAOGDHSLF-QHCPKHFHSA-N 410.949 3.595 0 50 HHAA COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)cc4F)N4CCC[C@@]34C2=O)cc1 20915575 SFPUNIYHBKSXDS-OWSXEPHWSA-N 410.489 3.781 0 50 HHAA C[C@]1(c2ccc(F)c(F)c2)C[C@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 1875261214 KDMJVKQQZMRSAU-IFMALSPDSA-N 400.473 3.606 0 50 HHAA COc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccccc2C(C)C)cc1OC 3626929 FFUJSBLQNDHRCM-QGZVFWFLSA-N 401.459 3.538 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(OC)cc2)sc(C(C)=O)c1C 860626 DUNJOZVEXWRXDU-ZDUSSCGKSA-N 405.472 3.850 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc(OC)cc(OC)c1 1075940 RRICIKWMSPTTIU-UHFFFAOYSA-N 416.478 3.852 0 50 HHAA COc1ccc(OC)c([C@@H]2CC(=O)c3c([nH]c(C(=O)OC[C@H]4CCCO4)c3C)C2)c1 1080567 MDFKVQORLUIXMU-GOEBONIOSA-N 413.470 3.589 0 50 HHAA CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C(=O)OC)c1C 1098938 KYFMEHJLNDZJSA-UHFFFAOYSA-N 416.249 3.628 0 50 HHAA COc1ccc([C@H]2CC(c3cc(Cl)ccc3OC(C)=O)=NN2C(C)=O)cc1OC 1142395 OEROQAWCBVCJLV-GOSISDBHSA-N 416.861 3.980 0 50 HHAA CCCCOc1ccccc1C(=O)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 6811008 MYQRSWGOMAXINE-LJQANCHMSA-N 419.518 3.834 0 50 HHAA CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)CCc2cccnc2)CC1 11820768 ZPEPAUXUKMULHK-UHFFFAOYSA-N 410.514 3.655 0 50 HHAA CN1CCC(N2CCC(CN(Cc3ccncc3)C(=O)c3ccsc3)CC2)CC1 11822164 ZTAIMZDIWNLFOU-UHFFFAOYSA-N 412.603 3.592 0 50 HHAA Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 12003531 ZFPPHZGPRQKXBX-UHFFFAOYSA-N 413.282 3.621 0 50 HHAA CC(C)(C)CN1CCC(Oc2ccc(C(=O)N3CCC[C@H](O)C3)cc2Cl)CC1 12703164 QHLHZEUGULXLPF-KRWDZBQOSA-N 408.970 3.826 0 50 HHAA O=C(NC[C@@H]1CCCN(C(=O)c2cccc3nccnc23)C1)c1ccccc1Cl 12709515 OHFLPBHCHDYOCM-HNNXBMFYSA-N 408.889 3.565 0 50 HHAA C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 13526289 RHCPKKNRWFXMAT-WIWNLSKOSA-N 406.563 3.657 0 50 HHAA CC(=O)N[C@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl 13571494 QEZYOGNIHUALAR-SECBINFHSA-N 419.559 3.568 0 50 HHAA O=C(CCc1cccnc1)N1CC[C@H]2[C@H](CCCN2C(=O)c2cc3ccccc3[nH]2)C1 14998441 WZGUTWSKRWUGMC-OFNKIYASSA-N 416.525 3.649 0 50 HHAA Cc1nonc1CN(C)C(=O)Cc1c2c(n(CC(C)C)c1C)CC(C)(C)CC2=O 15074245 OJUMRHWSKLSCHA-UHFFFAOYSA-N 400.523 3.500 0 50 HHAA O[C@H](COc1ccc(OCc2ccccc2)cc1)CN1CCN(c2ccccc2)CC1 19898678 LEQITQQPXXNOSW-DEOSSOPVSA-N 418.537 3.828 0 50 HHAA CCN(CC)C(=O)[C@@H]1C[C@@H](NCc2ccc(OC)c(C)c2C)CN1Cc1ccccc1 20905862 NNWUDDGGBVTEQO-RPWUZVMVSA-N 423.601 3.913 0 50 HHAA CN1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)C[C@@H]1c1ccccc1 20993342 MDQVBAFVRVKUED-HXUWFJFHSA-N 413.424 3.661 0 50 HHAA Cc1cc(C)cc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c1 64800141 FABATEDPPSPYLM-UHFFFAOYSA-N 408.550 3.746 0 50 HHAA Cc1cccc(CN2CCC(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2)c1 67629566 MWUMUDSFDKTTAU-UHFFFAOYSA-N 406.574 3.598 0 50 HHAA COc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc(Br)c1O 71928251 PYDMUNNLXBPERF-UHFFFAOYSA-N 419.319 3.688 0 50 HHAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc3nc(N4C(=O)CCC4=O)sc3c2)C1 101099739 ZKWDPIJCOCPUFP-RCDICMHDSA-N 411.527 3.991 0 50 HHAA CSc1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c1 218518126 RRNHBXOTWFBSBK-QFIPXVFZSA-N 409.511 3.735 0 50 HHAA COc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4F)N(c4ccccc4)O[C@H]3C2=O)c1 230047538 VVZSTPFSPDKUIM-BHDDXSALSA-N 418.424 3.885 0 50 HHAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]4[C@@H]3C2=O)c(C)c1 245329473 ZJJGWZQWROXYET-ANULTFPQSA-N 422.912 3.792 0 50 HHAA COc1cn(CC(=O)N2CCC[C@H]2c2ccc(OC)c3ccccc23)c(C)cc1=O 253412771 RYKVXNDQVSXYFS-FQEVSTJZSA-N 406.482 3.691 0 50 HHAA COC[C@H](c1ccccn1)N(C)C(=O)c1ccccc1S(=O)(=O)Cc1ccccc1 952990905 JPOQEYQMVNRWHH-OAQYLSRUSA-N 424.522 3.515 0 50 HHAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1704305182 UTSHVESLZBYGQO-UHFFFAOYSA-N 422.373 3.960 0 50 HHAA CS(=O)(=O)c1ccc(-c2nccn2[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 1857729032 RYFACMQSIJZRSA-HNNXBMFYSA-N 415.902 3.585 0 50 HHAA Cc1onc(-c2ccccc2)c1C(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857736120 LMEGVRDSRFZIHU-NHCUHLMSSA-N 403.482 3.548 0 50 HHAA CC1(C)CN(c2cncc(OCCCO)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 2325746459 LOKAQDBSYXLMJQ-MRXNPFEDSA-N 411.424 3.613 0 50 HHAA CC(C)Cc1noc(CN(C)C[C@@H]2CCC[C@H](NC(=O)Cc3cccc(F)c3)C2)n1 2356146022 ODUKSHCUWHNHLM-QUCCMNQESA-N 416.541 3.757 0 50 HHAA CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C)cc1 2871470 ODGDFEZUSBXLKF-UHFFFAOYSA-N 400.422 3.663 0 50 HHAA COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccccc1C(F)(F)F 2871548 UKKCYJLPKKJHKV-QGZVFWFLSA-N 400.360 3.896 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc(C(C)C)nn3C)C2)[C@@H]2CCCC(=O)N12 2356142951 OMKJTSDNZQXCFY-ZFMNYDKASA-N 414.594 3.821 0 50 HHAA COc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)c1 6701825 WTBVEFJDXGSSMP-UHFFFAOYSA-N 404.474 3.583 0 50 HHAA CCc1cccc(CC)c1NC(=O)CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 101159884 KJRFWNWBCQVXBV-GOSISDBHSA-N 414.502 3.954 0 50 HHAA CCOC(=O)[C@@H]1CCCN([C@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 23379572 NTEWOQKWKJCVRE-PKTZIBPZSA-N 408.542 3.996 0 50 HHAA Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@H](c1ccccc1F)CC(=O)N2 65363617 LJNMUOXYSRBDRW-INIZCTEOSA-N 406.465 3.574 0 50 HHAA COC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@@H]1c1cc(C)ccc1C 20500981 QGWPETSUOQEIPU-HXUWFJFHSA-N 413.905 3.528 0 50 HHAA COCCN1C(=O)CC[C@@H]2CN(Cc3cccc(OCc4ccccc4)c3)CC[C@@H]21 12135846 FYZKEEQEQZJDRL-VWNXMTODSA-N 408.542 3.725 0 50 HHAA CCN(C[C@@H]1CCCO1)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67491069 CYSXQNYTOKBZDL-NRFANRHFSA-N 411.546 3.770 0 50 HHAA O=S(=O)(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccc(Cl)cc1 2777780 JUQRQXHHDRSRIW-UHFFFAOYSA-N 401.250 3.573 0 50 HHAA Cc1nc2ccc(NC(=O)c3ccc(Cl)c(I)c3)cn2n1 253427587 NGGZTPRHBFJSEV-UHFFFAOYSA-N 412.618 3.548 0 50 HHAA O=C1C[C@H](C(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)CN1CC(F)(F)F 481047850 LVUIHOCPSDJDEK-HQHQJUQOSA-N 424.463 3.988 0 50 HHAA CC(C)=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N3CCC[C@@H]3C)nc2c1=O 72435687 LZQQXGMFCGJFDN-HNNXBMFYSA-N 408.502 3.964 0 50 HHAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)NCc1cc(C(C)C)on1)C2 1772819749 RTURFZJURNXKBY-CYBMUJFWSA-N 400.504 3.948 0 50 HHAA O=C(CC[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1)NCc1ccc(F)c(F)c1 11842250 FOTBXOSRPOQVCY-AWEZNQCLSA-N 421.875 3.962 0 50 HHAA CC(C)=CCC[C@H](C)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 12041267 SSJMTCBIBDYNSR-SFHVURJKSA-N 413.541 3.588 0 50 HHAA CCn1ccnc1CN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 12317825 SPPQKWPMXVNGEA-UHFFFAOYSA-N 420.561 3.898 0 50 HHAA COc1ccc2c(c1)CCc1c(C(=O)N3CCN(c4ccc(F)cc4)CC3)noc1-2 13363816 YYMYPTWUXHUHQX-UHFFFAOYSA-N 407.445 3.550 0 50 HHAA COc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)n2)cc1F 169758290 VIQWKMZHUUICRI-KRWDZBQOSA-N 411.368 3.553 0 50 HHAA Cc1c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cnn1-c1ccccc1F 253424320 DLTJIPRPZVGUMV-UHFFFAOYSA-N 415.368 3.845 0 50 HHAA O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc(Oc2ccccc2)nc1 498550906 YCKBMBMZAGYYKN-NRFANRHFSA-N 413.437 3.707 0 50 HHAA CC(C)(C)Cc1nc(-c2cccc(C(=O)NCc3ccc(-n4cccn4)nc3)c2)no1 1875260320 WKRNLGZLGDRMGP-UHFFFAOYSA-N 416.485 3.836 0 50 HHAA O=C1CN(C(=O)c2cc(OCc3ccccc3)ccc2O)[C@H](c2ccccc2)CO1 1875342972 BIMUWVGLSITUFX-NRFANRHFSA-N 403.434 3.712 0 50 HHAA O=C1C[C@H](N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1Cc1ccccc1 1125735 NQLKMXCVTVGQLV-IBGZPJMESA-N 405.523 3.803 0 50 HHAA CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c2ncccc12)[C@H](O)c1ccccc1F 2325749119 RCHVUTWFQZGCLF-QFBILLFUSA-N 415.852 3.594 0 50 HHAA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(Br)c2)NC(=O)N1 725570 UJOSDPZUISTQJL-GOSISDBHSA-N 415.287 3.863 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2cccc(C)c2C)cc1 785350 TWSSEVNXJFHNFE-UHFFFAOYSA-N 423.538 3.519 0 50 HHAA Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCCC1 1058172 PNIJAJDOIIBTCP-UHFFFAOYSA-N 416.499 3.541 0 50 HHAA COc1ccccc1NC(=O)CSc1nnc(NC(=O)c2ccccc2C)s1 1158045 PGLPQQYADURNRT-UHFFFAOYSA-N 414.512 3.838 0 50 HHAA CCN(CC)C(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 2064928 JNXZYUOZGGCFEP-UHFFFAOYSA-N 424.950 3.721 0 50 HHAA CCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 2828021 BHXWTUQISGFQSQ-UHFFFAOYSA-N 417.531 3.612 0 50 HHAA biogenic CCN(CC)C(=O)C(=O)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12 2875406 XNTNWXJPFGTWBV-UHFFFAOYSA-N 417.509 3.672 0 50 HHAA CCCCn1c(CN2CCC[C@@H](OCc3ccccc3)C2)cnc1S(=O)(=O)CC 55575893 BZJKFMQTTKCZCN-OAQYLSRUSA-N 419.591 3.658 0 50 HHAA O=C(C1CCNCC1)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67846634 TUGCJYOXAIYNQE-UHFFFAOYSA-N 408.523 3.995 0 50 HHAA O=C1CCN(Cc2cccn2-c2ccc(Cl)cn2)CCN1CCOc1ccccc1 20542914 PYYFFWGLIWWJAF-UHFFFAOYSA-N 424.932 3.639 0 50 HHAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)[C@@H](C)CN3CCOCC3)cc12 77408206 YFZIEQDVXHZUHS-INIZCTEOSA-N 409.505 3.867 0 50 HHAA O=C(Nc1ccc(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1)[C@H]1CCCO1 478236510 ZCAYEZBIOUZDBR-LEWJYISDSA-N 408.502 3.913 0 50 HHAA CCc1nc(CN2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)cs1 77344119 DRCNLKRQOPDUEB-UHFFFAOYSA-N 401.532 3.571 0 50 HHAA COc1cc(CNC(=O)C2CCN(Cc3ccccc3C)CC2)cc(OC)c1OC 44917555 GSMMHQPXUQDRJY-UHFFFAOYSA-N 412.530 3.549 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccccc1F 52596132 HVLQWRWIJAMJSK-JXFKEZNVSA-N 412.534 3.962 0 50 HHAA COc1cccc2c(C)cc(N3CCC[C@@]4(CCc5cnc(N(C)C)nc54)C3)nc12 1704311956 GWNHFWBLHMBYGF-XMMPIXPASA-N 403.530 3.892 0 50 HHAA CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1 5105641 UHYICRWTZCEYJR-UHFFFAOYSA-N 420.962 3.587 0 50 HHAA O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1cccc(N2CCCC2=O)c1 11754000 PABIUTWIDPBFIO-FQEVSTJZSA-N 418.472 3.946 0 50 HHAA O=C(c1[nH]nc2c1CCCC2)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1 11935085 MWNWQNFSNKKBOH-FQEVSTJZSA-N 414.594 3.564 0 50 HHAA O=C(CCc1nc2ccccc2s1)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 12079970 KAVODIHXTVXSMU-KRWDZBQOSA-N 416.506 3.806 0 50 HHAA O=C1CCN(C2CCN(CCc3ccccc3)CC2)CCN1Cc1cccc(F)c1 15071316 VVSYXDGBFDPENE-UHFFFAOYSA-N 409.549 3.567 0 50 HHAA COc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)cc1Cl 169752698 ILAKDMGNKPLRQY-UHFFFAOYSA-N 401.825 3.659 0 50 HHAA CCc1noc(C)c1C(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857715260 JGAHJRWBVPCKTA-UHFFFAOYSA-N 418.497 3.828 0 50 HHAA Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1cc2ccccc2cc1O 1125471 WGIQURAKXREHPT-UHFFFAOYSA-N 404.495 3.749 0 50 HHAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cc(C)c3ccccc3n1)CC2 431994366 VCUPERIHFGRLPF-HXUWFJFHSA-N 420.465 3.775 0 50 HHAA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2Br)NC(=O)N1 1113584 RIUKMEAEKVLYFX-INIZCTEOSA-N 404.239 3.855 0 50 HHAA C[C@H]1CCc2c(sc(NC(=O)c3cc4cc(Cl)ccc4oc3=O)c2C(N)=O)C1 1056505 ZKSRBRMWSXSRBJ-VIFPVBQESA-N 416.886 3.984 0 50 HHAA COc1ccc(-c2noc(CNC(=O)Cc3cccc4ccccc34)n2)cc1OC 4943611 PQCVNSMLRFEFEE-UHFFFAOYSA-N 403.438 3.766 0 50 HHAA Cc1ccc(CN(c2ccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)S(C)(=O)=O)cc1 101702054 DIFRKRHJIOHPSM-VCOUNFBDSA-N 412.555 3.880 0 50 HHAA CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N(C)[C@H](c1ccccc1)c1ccccn1 225521410 HQEXNEZNSFILMY-GHTZIAJQSA-N 413.518 3.559 0 50 HHAA CC[C@H](C)[C@H](NC1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1)C(=O)OC 55569032 NXPKZTPCBXYXDB-JTSKRJEESA-N 415.578 3.961 0 50 HHAA O=C(Nc1cccc(Br)c1)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 22023401 GLGZAMSFHBTNFC-UHFFFAOYSA-N 422.238 3.897 0 50 HHAA COC(=O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@H](F)[C@@H]1/C=C/[C@H](O)C1Cc2ccccc2C1 27645804 SUQUNXDCROKALM-CNSBNYEGSA-N 416.533 3.943 0 50 HHAA in-vitro COc1cccc(C(=O)N2CCN(Cc3nc(-c4cccc(F)c4)oc3C)CC2)c1 20538829 HPNVZIPQQIFPFN-UHFFFAOYSA-N 409.461 3.756 0 50 HHAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)Nc1ccc2c(c1)OC1(CCCCC1)O2 486671304 NSQSALDGTNJIEG-ZKWAOFCCSA-N 422.525 3.749 0 50 HHAA CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1-c1ccccc1 13826119 PSZBMABCBLQDMS-UHFFFAOYSA-N 403.573 3.844 0 50 HHAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2)C1 239321991 IZWKUHPDJRUMEN-AUCYZEHXSA-N 418.603 3.908 0 50 HHAA COc1ccc2cc(OCC3(C(=O)O)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1 95644391 LWJGMYMNSNVCEM-UHFFFAOYSA-N 409.413 3.593 0 50 HHAA investigational C[C@@H]1CCC[C@H](OCC(=O)NCCCCN(C)C(=O)CO[C@@H]2CCC[C@@H](C)C2)C1 221943917 KCTYKTUAQBKKBX-MXEMCNAFSA-N 410.599 3.532 0 50 HHAA O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCOCCOc1ccccc1 5049040 MPYLKDSNPKZQDG-UHFFFAOYSA-N 416.477 3.578 0 50 HHAA CCCN(Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1)CC1CC1 12157087 RXAFPHVVDXMGFT-UHFFFAOYSA-N 421.463 3.946 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(CCCC(F)(F)F)CC2)c(Cl)c1 12594953 XYICAYDVTUNJHY-UHFFFAOYSA-N 422.875 3.902 0 50 HHAA COC(=O)CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 12054832 DVHBHFHSGUAVDK-SFHVURJKSA-N 412.461 3.623 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)c1 13636618 ILOTUFMCVUSVBQ-LJQANCHMSA-N 408.542 3.939 0 50 HHAA COc1cc(C)ccc1OCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)no1 19836247 XMVPTEQUWTXTKA-UHFFFAOYSA-N 421.497 3.529 0 50 HHAA COc1cccc(C(=O)N[C@@H](C)c2ccc(Br)cc2OCCCO)c1 253421791 WMFDYVKMPLLXLO-ZDUSSCGKSA-N 408.292 3.710 0 50 HHAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCCN3CCc4ccccc43)c12 918326475 RUHIJPYTSDVTOL-UHFFFAOYSA-N 411.509 3.736 0 50 HHAA O=C(c1ccnc2[nH]cnc12)N(Cc1ccccc1)C[C@@H](O)c1cccc(Cl)c1 1875258481 QYGHNARMLHSJLK-LJQANCHMSA-N 406.873 3.987 0 50 HHAA N=C1S/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N1c1nonc1N 4577767 LOVLZFKTOLDDJG-JEBRHCKLSA-N 405.798 3.760 0 50 HHAA CCOC(=O)c1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc(C)c1C 639819 HHAHVKRASNUOMG-AWEZNQCLSA-N 404.513 3.983 0 50 HHAA Cc1noc(CSc2ccc(C(=O)Nc3ccc4nnc(C5CC5)n4c3)cc2)n1 2325740421 SBAVMLXZKBFCQE-UHFFFAOYSA-N 406.471 3.843 0 50 HHAA CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 677004 ARMINRLZJNQXIS-UHFFFAOYSA-N 410.495 3.919 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc1 1114826 DYYWWNQCUJUUJJ-UHFFFAOYSA-N 410.451 3.777 0 50 HHAA COC(=O)C1=CN([C@@H](C)c2ccccc2)C=C(C(=O)OC)C1c1cccc(OC)c1 1170874 WBHCAPDDBWMMAG-INIZCTEOSA-N 407.466 3.969 0 50 HHAA COC(=O)C1=CN(CCc2ccc(F)cc2)C=C(C(=O)OC)C1c1ccsc1 1170894 DQOFUHBEHPVAHW-UHFFFAOYSA-N 401.459 3.643 0 50 HHAA CCc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C(=O)O)c2ccccc21 3635195 ACCPTPOVBWUFJU-KWMZMRFFSA-N 423.468 3.884 0 50 HHAA Cn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccc(Cl)cc1 4664556 MEYBMRFBPQRMLF-UHFFFAOYSA-N 402.863 3.565 0 50 HHAA O[C@@]1(C(F)(F)F)CC(C2CC2)=NN1c1nc(-c2ccco2)cc(C(F)(F)F)n1 6926673 QAHPPRUPLFKTHO-CQSZACIVSA-N 406.286 3.982 0 50 HHAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc(C)c(C)[nH]c1=O 11719703 RUNLLPALOFGWTQ-HXUWFJFHSA-N 413.537 3.548 0 50 HHAA Cc1cc(S(=O)(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)c(C)cc1Cl 12434547 LAPZPUGWSBIQQC-IBGZPJMESA-N 421.994 3.679 0 50 HHAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1 12719069 FRALGONTUMKTBN-UHFFFAOYSA-N 422.529 3.955 0 50 HHAA O=C(NCc1ccco1)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 15767524 UKLOMBKZHMXUJL-GZTJUZNOSA-N 415.243 3.722 0 50 HHAA COc1cccc(CN2CCN(Cc3ccccc3Br)CC2)c1OC 19781669 PGKJVWBXAZLFKQ-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA COc1ccc(OC)c(C2=NN(C(=O)CN3CCCCC3)[C@H](c3cccs3)C2)c1 242047857 VQRJTIFPBPKPAD-IBGZPJMESA-N 413.543 3.929 0 50 HHAA O=C([C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1)N1CCc2ccccc21 253370475 RGWWRNWYVJKABT-BWAGFHJFSA-N 410.539 3.598 0 50 HHAA O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1 263615973 GILRKXKHUWWZBH-UHFFFAOYSA-N 418.884 3.625 0 50 HHAA C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 301434651 LSWFXTNPDRUIHJ-YPMHNXCESA-N 402.413 3.874 0 50 HHAA CC(C)CCn1cnc2ccc(NC(=O)CC3(n4cccc4)CCOCC3)cc2c1=O 409413099 CGBLLAJIOJQIAJ-UHFFFAOYSA-N 422.529 3.779 0 50 HHAA Cc1nc2ccc(C(=O)NCCc3nc(O)c4c(C)c(C)sc4n3)cc2nc1C 828168772 OSVJZTBHHMDQQS-UHFFFAOYSA-N 407.499 3.546 0 50 HHAA O=C(c1ccnc(NCC[C@H](c2ccc(F)cc2)c2ccco2)c1)N1CCOCC1 1529168162 XHRQMKUQXNFVGD-HXUWFJFHSA-N 409.461 3.920 0 50 HHAA COc1ccc([C@@H]2N=C(c3c(C)c(C)n(C)c3C)N=C2c2oc(C)cc(=O)c2O)cc1 1772491318 GHWLBAAVNAGVSI-FQEVSTJZSA-N 419.481 3.917 0 50 HHAA CCOc1cc(S(=O)(=O)Oc2ccc(NC(C)=O)cc2)ccc1Br 1775971587 XBFAZEOTHDZLPN-UHFFFAOYSA-N 414.277 3.574 0 50 HHAA Cc1cccc(NC2CCN(C(=O)c3ccc(NC(=O)NC(C)C)cc3O)CC2)c1 1875264713 RFUGQAOOPRSNJM-UHFFFAOYSA-N 410.518 3.947 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCC[C@]2(C)Cc2cccc(Br)c2)CC1 1875371425 AFJZNAPMDPMODM-OAQYLSRUSA-N 419.363 3.797 0 50 HHAA NC[C@@H](CC(=O)Nc1cccc(-c2cn[nH]c2)c1)c1ccc(Br)s1 2325861358 NRCMNUPYCNXYQC-GFCCVEGCSA-N 405.321 3.972 0 50 HHAA CCc1cccc2c(C(=O)COC(=O)c3ccn(-c4cccc(OC)c4)n3)c[nH]c12 2325874384 KSQBQMAHTHDJFT-UHFFFAOYSA-N 403.438 3.964 0 50 HHAA CCOC(=O)c1ccccc1NC1=C[C@@](C)(C(=O)OCC)N(c2ccccc2)C1=O 2266287 MRASNRVIMAUAAM-QHCPKHFHSA-N 408.454 3.528 0 50 HHAA O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCC(Cc2ccccc2)CC1 10327434 OQCJQZVXWDJXOT-UHFFFAOYSA-N 407.539 3.730 0 50 HHAA Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)O 974224 QEPKJDWRLSGDDS-LSDHHAIUSA-N 410.392 3.701 0 50 HHAA biogenic,in-vitro CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(I)cc2)cc1 998363 DVYJOORNZSLWIY-LBPRGKRZSA-N 409.223 3.900 0 50 HHAA CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2nc(COC)no2)cc1 225732882 PQZRDJQBWMJOOI-SFHVURJKSA-N 416.522 3.572 0 50 HHAA Cc1c(C)n(CCCO)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 9303695 WUWCZEYLVOPKKP-UHFFFAOYSA-N 408.487 3.512 0 50 HHAA O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 9695009 RIDVOOZKDRVASJ-UHFFFAOYSA-N 415.902 3.607 0 50 HHAA COc1ccc(C2(CNC(=O)[C@H]3CN(C)C(=O)c4ccccc43)CCCCC2)cc1 469076003 UTJHXILLADQBBQ-QFIPXVFZSA-N 406.526 3.883 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2cccc(SC)c2)C[C@H]1CCO 104331716 KPWANDUGASRJNJ-OAQYLSRUSA-N 400.588 3.876 0 50 HHAA CCn1ncnc1CN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67934827 XJFVKWHEHXMHBS-UHFFFAOYSA-N 407.499 3.675 0 50 HHAA COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1OC 976367 YQJAAHCUGUBNJB-UHFFFAOYSA-N 412.515 3.847 0 50 HHAA COc1ccc(-c2cc(C(=O)N3CCOCC34CCC4)nn2-c2ccccc2)cc1 439653312 WVGBOKYJGDDYOC-UHFFFAOYSA-N 403.482 3.943 0 50 HHAA Cc1ccccc1-c1ncc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)cn1 39364973 MEMKUVHSMBDFLM-HSZRJFAPSA-N 402.542 3.521 0 50 HHAA CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1CC(=O)NCc1ccco1 17724660 ZDNXZGYMXMNADE-AGILITTLSA-N 412.530 3.663 0 50 HHAA biogenic,in-vitro COc1cc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)cc(OC)c1 245328161 SMTIOULLDQHSKM-QAQDUYKDSA-N 421.497 3.859 0 50 HHAA CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C(C)C)cc1 253486857 AGLNKEZIHIEECV-IMRHEYAYSA-N 407.558 3.994 0 50 HHAA Cc1n[nH]c(C)c1CCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2n1C 253400302 DUSZMJMDKHCPOP-NRFANRHFSA-N 401.514 3.946 0 50 HHAA CCc1ccc(O[C@@H](C)c2nnc(NC(=O)CCN3CCCCC3=O)s2)cc1 1940197698 KDYYXVMIRJKXQW-AWEZNQCLSA-N 402.520 3.582 0 50 HHAA C[C@@H](NC(=O)CN(C)C(N)=O)C12C[C@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2 827989692 VSCUGJJMNKNELZ-GVWLRFCXSA-N 403.954 3.693 0 50 HHAA COc1cc(OC)cc(C2=NN(C(=O)C(C)C)[C@@H](c3ccc4nccnc4c3)C2)c1 170618977 FTAWJOCVUBYHEC-JOCHJYFZSA-N 404.470 3.981 0 50 HHAA COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Br)cc2)cc1OC 1205710 IQRRAMQSFBBUJA-ONNFQVAWSA-N 405.244 3.906 0 50 HHAA COc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 5068481 RDSSGXZIYOKKPD-UHFFFAOYSA-N 410.495 3.734 0 50 HHAA CN(C[C@@H]1CCCCO1)C(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 11881826 GFWDCEIWIMWELA-WIOPSUGQSA-N 408.542 3.839 0 50 HHAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCC([C@@H](O)c2cccs2)CC1 12193454 GKPLCQMJOFUZHL-OAQYLSRUSA-N 410.543 3.558 0 50 HHAA CC(C)Cn1cc(C(=O)NCc2ccsc2)c(=O)c(C(=O)N2CCCCCC2)c1 12244580 DSPKDFKCVRGHSR-UHFFFAOYSA-N 415.559 3.512 0 50 HHAA Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)s1 14958079 ZCSIBTOEAUYAHZ-SFHVURJKSA-N 423.586 3.516 0 50 HHAA CCc1ncc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cn1 14976248 KAUHJCPWWQWSJV-UHFFFAOYSA-N 418.545 3.692 0 50 HHAA COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(C2CCCCCC2)CC1 15075537 WIXYBTZCGNTTHO-UHFFFAOYSA-N 417.594 3.553 0 50 HHAA O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1 169754269 RUXHUYHYKQKYEJ-GFCCVEGCSA-N 404.898 3.868 0 50 HHAA Cc1ccc([C@H]2Cn3nnc(-c4noc(COc5cccc(C)c5)n4)c3CO2)cc1 169769387 DXUPPHNBURYKEG-LJQANCHMSA-N 403.442 3.795 0 50 HHAA CCOc1ccccc1CNC(=O)C1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 169772554 NKIWXXMOZHYPHO-UHFFFAOYSA-N 422.451 3.735 0 50 HHAA CC(C)(C)n1nc(C2CC2)cc1NC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 1857530492 VZOINDHUWMQAGU-AWEZNQCLSA-N 402.930 3.964 0 50 HHAA c1ccc([C@@H]2CN(Cc3noc(C4CC4)n3)C[C@H](c3ccc4c(c3)OCO4)O2)cc1 1875245449 AGNCOCPYKHZPRO-LEWJYISDSA-N 405.454 3.991 0 50 HHAA COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H](C)[C@H](C)[C@@H]2O 15270842 FNANNZAGLCKFOL-ZKTNFTSUSA-N 418.486 3.964 0 50 HHAA biogenic,in-vitro COCc1nc([C@H]2CCCCN2C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)n[nH]1 1875332237 OKLPQUFVXQFTOQ-HXUWFJFHSA-N 416.485 3.862 0 50 HHAA Nc1cc(NC(=O)[C@@H](NS(=O)(=O)c2ccccc2)c2ccccc2)ccc1Cl 2325850777 HOPJRLAVKATRLF-IBGZPJMESA-N 415.902 3.581 0 50 HHAA Cc1c(Cl)cnn1Cc1nc(-c2cc3cc(Br)ccc3[nH]c2=O)no1 2325863371 GXQHRTKHSQCGIZ-UHFFFAOYSA-N 420.654 3.547 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1 675241 GEKZRQAFHSZAIB-UHFFFAOYSA-N 422.934 3.778 0 50 HHAA COc1cc(Br)cc2cc(C(=O)NCc3ccc(C)cc3)c(=O)oc12 1052529 DGTDLOGVDGOACN-UHFFFAOYSA-N 402.244 3.803 0 50 HHAA CC1=C(C(N)=O)[C@@H](c2cccs2)N2NC(SCc3ccccc3Cl)=NC2=N1 2458760 CTYDZYGIALEPHB-OAHLLOKOSA-N 417.947 3.681 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccccc2)n1C 2836788 MPNGCDWUVSLKKR-UHFFFAOYSA-N 402.907 3.799 0 50 HHAA O=C(O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 3022564 YAJLGJSVACKBJX-UHFFFAOYSA-N 414.414 3.577 0 50 HHAA CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4019379 WFWITRLQOSHSAZ-UHFFFAOYSA-N 416.587 3.543 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 4163531 NPJKEALJGNVULE-MISXGVKJSA-N 400.426 3.514 0 50 HHAA CCN1C(=O)C(c2ccc(O)c(OC)c2)(c2ccc(O)c(OC)c2)c2ccccc21 4755453 UVJKZISWMSNDFO-UHFFFAOYSA-N 405.450 3.816 0 50 HHAA CCCCOc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC 5014121 XGEMESROWVVSNW-INIZCTEOSA-N 411.296 3.819 0 50 HHAA CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)NCc1ccco1 6554659 ZDNXZGYMXMNADE-HUVFLSCGSA-N 412.530 3.663 0 50 HHAA biogenic,in-vitro CC[C@@H](C)NC(=O)c1cc(NC(=O)C2CCCCC2)cc2ncn(CCOC)c12 11786050 CNBXAHUCEAMQQO-OAHLLOKOSA-N 400.523 3.730 0 50 HHAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)cc1Cl 12302642 BLHJSWIYPBKBJG-AWEZNQCLSA-N 404.898 3.651 0 50 HHAA CCn1nc(C)c(CNC(=O)c2cc(COc3ccc4ncccc4c3)on2)c1C 12441483 WZMGNIMYPCWASZ-UHFFFAOYSA-N 405.458 3.565 0 50 HHAA CCCN(C[C@@H]1CCCO1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12473246 PFONUNWAPZSWJX-SFHVURJKSA-N 410.518 3.686 0 50 HHAA CN1CCC(NC(=O)c2cc(-c3ccco3)nc3onc(-c4ccccc4)c23)CC1 13641648 BUCLOAWADHPMAJ-UHFFFAOYSA-N 402.454 3.974 0 50 HHAA CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 14986569 AJUJDTGEWUCGCW-UHFFFAOYSA-N 418.493 3.839 0 50 HHAA Nc1ccc(-c2cc(N)n(-c3ccc(Oc4ccccc4)c(S(=O)(=O)O)c3)n2)cc1 22014627 ZTTSZPCOFXYLJD-UHFFFAOYSA-N 422.466 3.743 0 50 HHAA Cc1nn(CC(=O)Nc2nn(CC3CC3)c3ccccc23)c(C)c1-c1ccncc1 48441294 AOWNXBKJKFEBIJ-UHFFFAOYSA-N 400.486 3.960 0 50 HHAA O=C1NCCCC[C@@H]1N(Cc1cccc(OC2CCCC2)c1)C(=O)c1cncs1 101776152 BHYABAHULRRZSN-IBGZPJMESA-N 413.543 3.776 0 50 HHAA CCC[C@H](NS(=O)(=O)c1c(Cl)ccc2scnc12)c1nnc2ccccn12 170597028 GZUJBBNYUKVKAA-LBPRGKRZSA-N 421.935 3.812 0 50 HHAA O=C(Cc1ccc2cn[nH]c2c1)NCc1cn(-c2ccccc2)nc1-c1ccncc1 170610279 NLHVTLRXZYDXBG-UHFFFAOYSA-N 408.465 3.670 0 50 HHAA COc1ccc(C(F)(F)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)cc1 225440764 FTWALAGXIMSAEZ-GOSISDBHSA-N 406.498 3.521 0 50 HHAA Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1C 462342156 RSFMPQOASXAGFD-LJQANCHMSA-N 402.491 3.853 0 50 HHAA O=C(c1occc1COc1ccccc1)N1CCC(c2nnc3n2CCCC3)CC1 476447453 MPSNCRQVPAOTPJ-UHFFFAOYSA-N 406.486 3.806 0 50 HHAA C[C@H](NC(=O)CN(C)C(N)=O)C12C[C@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2 827989693 VSCUGJJMNKNELZ-NFJMJWFLSA-N 403.954 3.693 0 50 HHAA COc1ccc(C(=O)N2Cc3cnc(C)cc3C2)cc1Oc1ccc(CN)cc1F 1857691300 DUWOCMJDEOYLSJ-UHFFFAOYSA-N 407.445 3.945 0 50 HHAA COc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)ccc1C 1857694009 WTPJUXSCVUFTLT-SVFBPWRDSA-N 400.906 3.601 0 50 HHAA C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nc2c(s1)Cc1ccccc1-2 1875264061 AULHQAKOCKTORR-LBPRGKRZSA-N 416.499 3.902 0 50 HHAA O=C(CCC(=O)c1ccc(Br)s1)N[C@H](C(=O)O)c1ccc(F)cc1 2325876764 APPMNBOUATUDMR-HNNXBMFYSA-N 414.252 3.555 0 50 HHAA COc1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2ccccc2)ccc1O 2356162494 LISLBKKZMIQUNF-LDVJMBRRSA-N 420.553 3.959 0 50 HHAA CCCCCCOc1ccccc1/C=c1/sc2nc(-c3ccncc3)nn2c1=O 2533061 OHZWLMMYPPAAAU-XDJHFCHBSA-N 406.511 3.720 0 50 HHAA CCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1 2842301 SGJSIKIMYMWPBH-UHFFFAOYSA-N 408.951 3.948 0 50 HHAA Nn1c(CSc2nc3ccccc3o2)nnc1CSc1nc2ccccc2o1 3619789 RFFVXUAVIRSHNV-UHFFFAOYSA-N 410.484 3.859 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(C)c(C)c2)cc1 5814623 AVYFKTPUJMJFQN-UHFFFAOYSA-N 412.511 3.717 0 50 HHAA O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc21 9303710 YWIJMNXLQQLTIM-MRXNPFEDSA-N 418.472 3.561 0 50 HHAA Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1 11697556 OSWQYMJRBKNBRK-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)C3CCOCC3)cc2)c1 11874189 VRKJZWWVKYJVLO-JOCHJYFZSA-N 408.498 3.718 0 50 HHAA O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@](CO)(CCc2ccccc2)C1 11934403 BILJKLRZJORBEH-VWLOTQADSA-N 403.526 3.779 0 50 HHAA O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccc(F)cc1 12099405 IAEUTGPQXMPGIS-GOSISDBHSA-N 418.896 3.921 0 50 HHAA CC(C)CN1CCC(O)(c2ccc3oc(C(=O)NCc4ccncc4)cc3c2)CC1 12247037 JKJASMQLDRIYQH-UHFFFAOYSA-N 407.514 3.697 0 50 HHAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2sc(C)nc2C)CC1 12429354 JNVQJPRUHLVSFI-UHFFFAOYSA-N 416.543 3.797 0 50 HHAA O=C(NC[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1)c1cc2ccccc2[nH]1 12707796 ZKOAEKNJXBXZRK-IBGZPJMESA-N 404.514 3.562 0 50 HHAA O=S(=O)(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1cccc2nonc12 17093770 IAKQLIJLEPZGHH-UHFFFAOYSA-N 424.269 3.575 0 50 HHAA Fc1ccc2c(c1)c1nnc(SCCN3CCOCC3)nc1n2Cc1ccccc1 20029449 MNQANISLFLTXTK-UHFFFAOYSA-N 423.517 3.591 0 50 HHAA CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)Cc2cccs2)C3)n1 20271742 QTKYZXIJYYJCRB-AWEZNQCLSA-N 415.515 3.729 0 50 HHAA CN1CCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)[C@@H](c2ccccc2)C1 20783033 VGZFBJSOAQGTFQ-XMMPIXPASA-N 411.509 3.609 0 50 HHAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1cccc(Br)c1 71279640 LJTXDXVMVWSSIA-UHFFFAOYSA-N 418.678 3.965 0 50 HHAA Cc1noc([C@@H](C)NC(=O)Cc2c3c(n(CC(C)C)c2C)CC(C)(C)CC3=O)n1 95530719 VBCWRLXYVGMMOX-CYBMUJFWSA-N 400.523 3.719 0 50 HHAA O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccc(F)cc1)Cc1ccco1 170623747 RKUHKZJPCBVNMD-UHFFFAOYSA-N 403.431 3.581 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C(=O)NC2CC2)C1 239038484 DGUFXYSKIBSHAD-BPLDGKMQSA-N 416.543 3.761 0 50 HHAA COc1ccccc1N1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 239358361 NCPYNQDHIIBZIX-IBPRQYQWSA-N 404.595 3.656 0 50 HHAA O=C(CCC(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1)c1ccc2c(c1)CCC2 303429685 WMWIDELHAYXNIY-JOCHJYFZSA-N 405.494 3.873 0 50 HHAA C[C@H]1C[C@H](NC(=O)C2(c3ccc(F)cc3F)CCC2)c2ccsc2S1(=O)=O 461627504 DOIZBBKIUFPCMV-ZBEGNZNMSA-N 411.495 3.871 0 50 HHAA O=C(CC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H](OCc2ccccn2)C1 952962208 CKLDUOXCWFEBRQ-XMMPIXPASA-N 407.558 3.892 0 50 HHAA COc1ccc(CNC(=O)C2CCN(C(=O)c3scc4c3CCCC4)CC2)cc1 1506405981 PCBHXENWZDOJIL-UHFFFAOYSA-N 412.555 3.804 0 50 HHAA CC(C)CN1C[C@H]2CN(CCCC(=O)c3ccc(C(C)(C)C)cc3)C[C@@]2(CO)C1 1772819016 DRVWOHZHEYOXLS-RDGATRHJSA-N 400.607 3.829 0 50 HHAA CC(C)Cn1ccc2c(C(=O)NS(=O)(=O)c3cccc4cnccc34)cccc21 1875345015 SDRNUDGSYKCJJA-UHFFFAOYSA-N 407.495 3.964 0 50 HHAA CC(C)c1noc(C2(NC(=O)c3cc(Cl)c(O)c(Cl)c3)CCOCC2)n1 2325757722 XUROLJUEXHFWNP-UHFFFAOYSA-N 400.262 3.641 0 50 HHAA CC(C)C(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1 812035 HLVHVOQAFVIZQZ-UHFFFAOYSA-N 415.921 3.662 0 50 HHAA CCOC(=O)[C@H](C(=O)Nc1ccc(I)cc1)C1CCCCC1 1187259 SDQIJHXFVMMTFY-HNNXBMFYSA-N 415.271 3.989 0 50 HHAA Cc1cc(-c2nnc(CCC(=O)N(C)[C@@H](C)c3ccc4c(c3)OCCO4)o2)c(C)o1 20780199 LBYCXRJYRQIRMA-AWEZNQCLSA-N 411.458 3.870 0 50 HHAA CCN(CC)Cc1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)ccc1OC 23360974 VKLIRTDFXHTEOX-DEOSSOPVSA-N 417.638 3.738 0 50 HHAA CC(C)Cc1nc2ccccc2n1[C@H](C)C(=O)N1CCCN(C(=O)c2ccco2)CC1 1506414696 QWXZTVKUBGOAKC-GOSISDBHSA-N 422.529 3.764 0 50 HHAA CC1=NN(C(=O)c2ccc(COc3ccccc3Cl)o2)[C@@](O)(C(F)(F)F)C1 653141 SDQBTSOJRXKVMM-INIZCTEOSA-N 402.756 3.985 0 50 HHAA Cc1ccc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C(C)C)cc5)C(=O)[C@H]24)O3)o1 77378531 SMGKCXAPGHOZLS-UEOMBKFZSA-N 420.509 3.656 0 50 HHAA CC(C)(C)Oc1cc(F)ccc1NC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 488958945 XVXNYMNQBXDUOJ-IKRHFZKASA-N 400.494 3.633 0 50 HHAA Cn1cc(NC(=O)CN2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 71422162 XRTQTIUFCDBMOB-OAQYLSRUSA-N 402.498 3.621 0 50 HHAA CCOc1cc2c(cc1OC)[C@@H](c1cccc(I)c1)NCC2 20506555 UPDPAIJDTMGEDP-GOSISDBHSA-N 409.267 3.934 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)cc1 239306155 GMQIQKZJRYRUKH-KKFDQILXSA-N 414.461 3.505 0 50 HHAA Cc1ccc(N2CCC(N3CCC([C@H](O)c4nccn4C)CC3)CC2)cc1Cl 1506399900 RGTTVAFLVNRVCM-NRFANRHFSA-N 402.970 3.796 0 50 HHAA CN1C(=O)C[C@@H](C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)c2ccccc21 1506417741 SWTLIOCOEAUFTN-QGZVFWFLSA-N 406.461 3.558 0 50 HHAA COc1ccc(CCCC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1 1529178856 RHXUPEFAXCNLLS-YKSBVNFPSA-N 404.510 3.940 0 50 HHAA O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 11664413 AAZJATQPSYZFEN-QHCPKHFHSA-N 411.452 3.812 0 50 HHAA O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 11813334 WBFKPADFZUJXLS-OAHLLOKOSA-N 423.900 3.813 0 50 HHAA CC[C@@H]1CCCCN1C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC 11881992 VWCOXGFBTWFKIV-OAHLLOKOSA-N 411.531 3.942 0 50 HHAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)Cn2ccc(C)n2)CC1 12386543 JSYVDGAGBZEQPI-UHFFFAOYSA-N 412.578 3.597 0 50 HHAA CCN(Cc1ccc(OCCO)cc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 12387485 NQWJUTVKELRZBZ-QHCPKHFHSA-N 414.565 3.973 0 50 HHAA O=C(NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1)c1cccs1 14984878 KZBMJOQPPDCIBH-INIZCTEOSA-N 414.556 3.589 0 50 HHAA CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 14999871 FFLFRZMXDFHKMH-NRFANRHFSA-N 408.464 3.869 0 50 HHAA O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1 15004615 PMVTUORANDBTDU-GOSISDBHSA-N 413.399 3.825 0 50 HHAA OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CCN1Cc1ccccc1 19595413 ZHIVGRALHDLEIU-OAQYLSRUSA-N 410.949 3.595 0 50 HHAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3cc(C(C)C)[nH]n3)C2)cc1OC 19758696 AVIZEKIGHXXRMA-HXUWFJFHSA-N 400.567 3.689 0 50 HHAA O=C(CCc1cn[nH]c1)N1CCC2(CC1)OCCc1cc(OC3CCCC3)ccc12 1857668396 LEJYHVRHKMFXKO-UHFFFAOYSA-N 409.530 3.754 0 50 HHAA CC(C)N=c1[nH]c(-c2cccnc2)nc2c1CC[C@]21CCCN(Cc2cnsc2)C1 1875244231 FQQIKTMEWKXWFK-QHCPKHFHSA-N 420.586 3.717 0 50 HHAA COCCN1C(=O)C[C@@H](CNCC(C)(C)c2ccccc2)[C@@H]1c1cnn(C(C)C)c1 328604013 ICMIGBPAYZJIGT-WMZHIEFXSA-N 412.578 3.567 0 50 HHAA O=C(Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)c1c[nH]nc1C1CCCCC1 1875262264 TVBKJEPBXJAIAE-MRXNPFEDSA-N 410.518 3.554 0 50 HHAA CNC(=O)CCCn1c(C(=O)NCCOc2ccccc2Cl)cc2ccccc21 1875390551 GKVKBZBXPDDWGL-UHFFFAOYSA-N 413.905 3.630 0 50 HHAA C[C@@H](NC(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1)c1ccccc1Cl 1875350477 OUZYYEISCYEPRR-CYBMUJFWSA-N 419.872 3.640 0 50 HHAA O=C1NC[C@H](C(=O)Nc2ccc3nc(Cc4ccc(F)cc4)[nH]c3c2)c2ccccc21 2325874945 BULZROLQDDQUJR-IBGZPJMESA-N 414.440 3.759 0 50 HHAA CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 686505 UVHKXUMBNVVURP-UHFFFAOYSA-N 406.813 3.618 0 50 HHAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N[C@@H](C)[C@@H]4CCCO4)c3n2)cc1 815410 SPAGQJGMHUFECD-SGTLLEGYSA-N 416.428 3.640 0 50 HHAA Cc1ccc(C(=O)COC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1 1862663 LKRRSKOAOCHITF-UHFFFAOYSA-N 401.462 3.669 0 50 HHAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 2862006 MLZXIJHVJRABQK-UHFFFAOYSA-N 417.314 3.570 0 50 HHAA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccc(C)cc3)C2)cc1OC 4194567 FHIWYPNDYDZZDC-LJQANCHMSA-N 410.470 3.945 0 50 HHAA CCOc1ccc(-n2nnnc2SCC(=O)c2ccc(Br)cc2)cc1 8871608 UGJUHRMBJMCKBF-UHFFFAOYSA-N 419.304 3.799 0 50 HHAA CN(Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccoc3)C2)c1)Cc1cnn(C)c1 12160796 XLBYMEOUBCDNEF-FQEVSTJZSA-N 422.529 3.576 0 50 HHAA Cc1cc(-c2nnc(CCC(=O)N(C)Cc3csc(-c4ccccc4)n3)o2)no1 12314827 FPOSXKMVGVLWNN-UHFFFAOYSA-N 409.471 3.748 0 50 HHAA COc1ccccc1CCN1CCC(CN(C)C(=O)[C@H]2CC(=O)c3ccccc32)CC1 12595752 HKRKLXLQIXIKMI-QHCPKHFHSA-N 420.553 3.778 0 50 HHAA C[C@H](Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc(Cl)c1 12868345 CECFKIGPQZTEMT-LBPRGKRZSA-N 415.902 3.839 0 50 HHAA Cc1cc(=O)c(C(=O)N(C)Cc2cccs2)c(C)n1C[C@H]1COc2ccccc2O1 14885210 GWTGAHQANKVGLU-KRWDZBQOSA-N 424.522 3.639 0 50 HHAA Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)c(=O)[nH]1 15075603 OJLZIRXSXMKQML-IBGZPJMESA-N 414.505 3.979 0 50 HHAA COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)c2)c1 18155485 QTGIDGSNHONZFW-OALUTQOASA-N 420.465 3.802 0 50 HHAA COCCN(Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12)C(C)C 19744599 BKJWVXDDIZLUNR-UHFFFAOYSA-N 422.573 3.814 0 50 HHAA Cc1nn(CC(=O)N[C@@H](C)c2cnn(C)c2C)c2nc(C3CC3)cc(C(F)(F)F)c12 20602443 BLHCTVXZUSGPSA-JTQLQIEISA-N 420.439 3.555 0 50 HHAA O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc(-c2cccs2)on1 32623071 GVCNXRFXERGXMT-KRWDZBQOSA-N 417.918 3.860 0 50 HHAA COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O 71279286 YBUPWEOLPYLRGQ-UHFFFAOYSA-N 404.253 3.864 0 50 HHAA Cc1cc2ccccc2n1CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 170672608 SGQOMVQKRRKECF-NRFANRHFSA-N 419.481 3.668 0 50 HHAA C[C@H](NC(=O)c1csc(Nc2ccccn2)n1)c1ccc(N2CCCNC2=O)cc1 812759254 CPOMFDJDIPROQH-AWEZNQCLSA-N 422.514 3.692 0 50 HHAA Cc1ccn(CCC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 1704335472 AMOGAWIJMPGLQL-DEOSSOPVSA-N 401.514 3.545 0 50 HHAA Cc1ccc(F)c(C(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c1Cl 1857667969 SLPIJVIPSMHSMZ-OAQYLSRUSA-N 402.853 3.677 0 50 HHAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccccc1Cl)C2 1857685349 SACZTDZCJUXRMR-TXTKFYIRSA-N 420.981 3.596 0 50 HHAA CC(C)[C@@H](NC(=O)c1n[nH]c2cc(OC(F)(F)F)ccc12)[C@H](O)c1ccccc1 2325876135 LICNFMYYINXICH-SJLPKXTDSA-N 407.392 3.950 0 50 HHAA Cn1cnnc1S[C@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccccc1 921817 FGWXANCJYIKIKW-UXHICEINSA-N 422.535 3.835 0 50 HHAA Cc1cnc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)s1 2836367 ABOYXPTZNDZADM-UHFFFAOYSA-N 424.349 3.740 0 50 HHAA CC(C)C(=O)Nc1nnc(SCC(=O)c2ccc(Br)cc2)s1 2848226 GYVANPDCMYHXPN-UHFFFAOYSA-N 400.323 3.870 0 50 HHAA CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)c1 2940017 TWWZXGJRLXUYAO-UHFFFAOYSA-N 421.497 3.862 0 50 HHAA CC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2I)c1 2979184 GYUIWXYJMDDHAA-UHFFFAOYSA-N 424.263 3.621 0 50 HHAA CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCOc1ccccc1 4482392 ALIABIHPBFXMBP-OAQYLSRUSA-N 410.470 3.726 0 50 HHAA Cc1ccc([C@H](C)CCN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)o1 11996742 ZQFJJVSAEIOORJ-LJQANCHMSA-N 401.595 3.880 0 50 HHAA CC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1nnc(COC)s1 12000895 ARSXNYBRINFZDS-CQSZACIVSA-N 401.517 3.651 0 50 HHAA CCOC(=O)N1CCN(C(=O)c2csc3nc(-c4cccc(Cl)c4)cn23)CC1 12317338 PNBLFEHBVMZLPJ-UHFFFAOYSA-N 418.906 3.631 0 50 HHAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(C(=O)c2cnsn2)C1 12466687 GZWMWCICLSLBOH-INIZCTEOSA-N 410.474 3.835 0 50 HHAA Cc1c([C@@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)cnn1-c1cccc(F)c1 12466738 KQEHVTLURILDBD-OAHLLOKOSA-N 406.461 3.938 0 50 HHAA CCOC(=O)c1nn(CCCc2cccnc2)c2c1CN(Cc1ccc(C)o1)CC2 14538835 ALQZNKSLPNWKOE-UHFFFAOYSA-N 408.502 3.547 0 50 HHAA CCc1n[nH]c(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)c1C 15061815 NGBSRRNGYSCAQN-INIZCTEOSA-N 416.953 3.883 0 50 HHAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3nc(-c4ccccc4)cs3)C2)CC1 19835764 LCQQIZPXRGPSEH-LJQANCHMSA-N 414.575 3.549 0 50 HHAA COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@H](C)Cc2cc(C)ccn2)CC1 20450720 MYJMDHNEGYCHGR-GOSISDBHSA-N 423.557 3.765 0 50 HHAA O=C(N[C@H](Cc1cccc(O)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 21986534 QTAKQPPYEQCJTJ-JOCHJYFZSA-N 403.434 3.927 0 50 HHAA O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55134135 VMAXUMGFPHQVEY-LJQANCHMSA-N 403.448 3.531 0 50 HHAA Cc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCCCC2)nn1 65364160 UURHJYVWYVNFJC-GOSISDBHSA-N 402.502 3.744 0 50 HHAA CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CN[C@@H]3CCCC[C@H]3C)cc12 245238304 JASNWUQUBISMEN-WRWLIDTKSA-N 402.535 3.571 0 50 HHAA CCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 245256951 UNJYTPNGOZQTFM-LEAZDLGRSA-N 406.507 3.616 0 50 HHAA COc1cc2c(cc1OC)[C@@H](C)N([C@H]1CC(=O)N(c3cccc(C)c3C)C1=O)CC2 245325623 GQLRENDWKGVWJH-UZLBHIALSA-N 408.498 3.572 0 50 HHAA O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)cc1 442209753 SSDMWZPBWAJGBF-NHCUHLMSSA-N 407.514 3.549 0 50 HHAA O=C(Cc1coc(-c2ccc(F)cc2)n1)NC[C@H](CO)Cc1c(F)cccc1Cl 444489794 TWCWFJZEGOLNGC-CYBMUJFWSA-N 420.843 3.783 0 50 HHAA CC(=O)c1ccc(Cl)c(S(=O)(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)c1 761907213 OEPNYQZAUKYOGO-XLIONFOSSA-N 418.946 3.848 0 50 HHAA CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ncoc1-c1ccc3c(c1)OCCO3)CCC2 780427007 MPWPPVKGUQGTTK-INIZCTEOSA-N 408.458 3.698 0 50 HHAA Cc1ccc(S(=O)(=O)NCCCNC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 825176811 IDQZUQMPTDPUID-UHFFFAOYSA-N 420.962 3.555 0 50 HHAA COc1cc(NC(=O)N2CCN(c3ccncc3)[C@@H](C)C2)ccc1Br 1310380225 VNJWFCKOSSROQE-ZDUSSCGKSA-N 405.296 3.595 0 50 HHAA COc1cc(-c2nc(-c3cc(O)ccc3O)[nH]c2-c2oc(C)cc(=O)c2O)ccc1O 1857526592 NPBNCVCVYUYECF-UHFFFAOYSA-N 422.393 3.503 0 50 HHAA CN1CCC[C@](O)(Cc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)C1 1875268159 AFIFAYRRMJMRPN-HNNXBMFYSA-N 409.330 3.773 0 50 HHAA CCOC(=O)N=c1[nH]nc(SCc2ccc(OCc3cccnc3)cc2)s1 2325721420 FIFMTVZZUSWOSL-UHFFFAOYSA-N 402.501 3.795 0 50 HHAA Cc1ccc(CNC(=O)C(=O)NCc2ccc3c(c2)COC3)c(O[C@H](C)CC(C)C)c1 2325722482 GZOPDEAYVWRNOS-GOSISDBHSA-N 424.541 3.771 0 50 HHAA CC(C)CN1CCO[C@@H](COC(=O)c2ccc3cncc(Br)c3c2)C1 2325839905 JCFWRQASHFIRDF-MRXNPFEDSA-N 407.308 3.511 0 50 HHAA COCCn1nc(-c2ccc(-c3ccccc3)cc2)nc1[C@H]1CC(=O)N(C2CC2)C1 2325840052 NIQUGHGGILBOFY-FQEVSTJZSA-N 402.498 3.737 0 50 HHAA O=C(O)c1c(N2CCN(C3CCCCC3)C(=O)C2)noc1-c1ccc(Cl)cc1 2356157337 GICRDZOPIOGFHO-UHFFFAOYSA-N 403.866 3.675 0 50 HHAA O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 622039 SWZCTMTWRHEBIN-QFIPXVFZSA-N 403.434 3.927 0 50 HHAA biogenic COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Br)s1 1053597 GCKJBVOCDPRJBP-UHFFFAOYSA-N 400.250 3.567 0 50 HHAA Cc1cccc(C)c1OCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 2171943 GHFMWPHLYJJKFQ-HSZRJFAPSA-N 416.521 3.840 0 50 HHAA CC(C)NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 4983033 BHEQAAUEKLDFFW-UHFFFAOYSA-N 401.315 3.713 0 50 HHAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 11838407 QWQWTRCNNBYYQL-LJQANCHMSA-N 406.461 3.596 0 50 HHAA COc1cccc(OC)c1CNc1nc(C)c(-c2ccn(CCN(C)C)n2)s1 12056972 UJVIUAHEYWGOGF-UHFFFAOYSA-N 401.536 3.506 0 50 HHAA Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@@H](CNC(=O)[C@H]1CCOC1)C2 12244682 JROTYYNKBRDMTJ-PZJWPPBQSA-N 402.494 3.975 0 50 HHAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)C3CCN(C(=O)N(C)C)CC3)C2)cc1 12308992 JYRKKOANGDFNCD-OAQYLSRUSA-N 400.567 3.607 0 50 HHAA CCc1ccc(CN(C)Cc2ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c2)cc1 12456138 HWWOGCYYHYHAKK-QHCPKHFHSA-N 414.590 3.970 0 50 HHAA Cc1c(CNC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cnn1C 13124039 FLCAKRDBVIFPKO-SJORKVTESA-N 418.423 3.515 0 50 HHAA COC(=O)c1c(NC(=O)CSCC(=O)O)sc2c1CC[C@H](c1ccccc1)C2 17091881 DQELZFBOIXYFRQ-ZDUSSCGKSA-N 419.524 3.564 0 50 HHAA c1ccc(CCN2CCC(N[C@@H]3CCCc4c3cnn4-c3ccccn3)CC2)cc1 19224768 HHRMVQSDNGHAJF-HSZRJFAPSA-N 401.558 3.941 0 50 HHAA Cc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(N2CCCC2)n1 64799701 QJZSBJRVAIZDFO-UHFFFAOYSA-N 407.562 3.645 0 50 HHAA Cc1ccc(-c2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)cc1C 65363094 VQXCECMRRITMHK-UHFFFAOYSA-N 404.543 3.792 0 50 HHAA OCC1(Cn2cnc(-c3ccccc3)c2-c2ccc3c(c2)OCCO3)CCOCC1 65386554 YACJDVOCCPGFII-UHFFFAOYSA-N 406.482 3.777 0 50 HHAA COC(=O)c1cccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCCN2C3=O)c1 169766425 DLXACPDFTFSSBX-FQEVSTJZSA-N 407.470 3.518 0 50 HHAA C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772408 CQBKWDUVHCLKBN-OAHLLOKOSA-N 406.452 3.849 0 50 HHAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O 170592140 JIZKAMZBWRZLAV-HXUWFJFHSA-N 421.428 3.625 0 50 HHAA O=C(c1cnc(-c2ncccn2)s1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 170623584 UNHOAPAVZOCKCI-KRWDZBQOSA-N 414.918 3.839 0 50 HHAA Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1I 231422730 MVPAZKYIIFBMAN-LBPRGKRZSA-N 401.269 3.639 0 50 HHAA CCN(CC)S(=O)(=O)c1cc(NC(=O)c2scnc2C(F)(F)F)ccc1C 241287523 LMDUOXILYJZMRA-UHFFFAOYSA-N 421.466 3.753 0 50 HHAA CCN1CCN(c2ccccc2NC(=O)N2CCC(c3noc(C4CC4)n3)CC2)CC1 462271267 NKZLYLYWFMCYLB-UHFFFAOYSA-N 424.549 3.500 0 50 HHAA CCCn1c(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc2ccccc21 469799485 JZFNAUHYAHXHEP-HXUWFJFHSA-N 405.498 3.901 0 50 HHAA Cc1cccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2cc(-c3cc[nH]n3)oc2C)c1 825216206 NBVBJEPLYFMHFG-SFHVURJKSA-N 415.515 3.656 0 50 HHAA Cc1cc(S(=O)(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)c(Cl)cc1F 1506400384 MDPQINIORDWLNT-LJQANCHMSA-N 411.926 3.792 0 50 HHAA C[C@]1(c2ccccc2)CN(C(=O)c2ccc(NC(=O)c3ccncc3)cc2)CCO1 1875261574 UEMHLGUEVFGCNN-XMMPIXPASA-N 401.466 3.722 0 50 HHAA C[C@H](C(=O)NCc1ccc(-c2ccc(O)cc2)cc1)n1cc(Br)cn1 1875263623 MBYQTNQISLOKER-CYBMUJFWSA-N 400.276 3.896 0 50 HHAA CCCO[C@@H]1CC[C@H](C(=O)NCc2ncc[nH]2)C[C@H]1NC1CC2(CCCCC2)C1 2100540090 CQMDZTSSVQGSEV-DFQSSKMNSA-N 402.583 3.692 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N=[S@@](C)(=O)c2cccc(Br)c2)cc1 2325889919 BMRCEBNUHCBIQC-VWLOTQADSA-N 421.316 3.895 0 50 HHAA CC(C)c1nc(CN(C)C(=O)c2cc3c(s2)CCOC32CCNCC2)cs1 2356140543 MDHLDDBSKQORHA-UHFFFAOYSA-N 405.589 3.752 0 50 HHAA CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(N)=O 622462 CYHRDGSWGCREFI-UHFFFAOYSA-N 405.292 3.863 0 50 HHAA CN(C)c1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(OCC(F)(F)F)n1 718760 AAAWPZVTCMGPQH-UHFFFAOYSA-N 413.734 3.790 0 50 HHAA COc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1Cl 879005 ABQUJRACYKKWDG-UHFFFAOYSA-N 410.923 3.877 0 50 HHAA COc1ccc(OC)c([C@@H]2CC(=O)c3c([nH]c(C(=O)OC[C@@H]4CCCO4)c3C)C2)c1 1080569 MDFKVQORLUIXMU-HOCLYGCPSA-N 413.470 3.589 0 50 HHAA CCc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1 1148140 SQWWAROLSOMZIT-UHFFFAOYSA-N 403.320 3.739 0 50 HHAA CC(C)NC(=O)C1CCN(C2CCN(Cc3c[nH]nc3C3CCCCC3)CC2)CC1 11935348 SJXDNLYOMYPZLY-UHFFFAOYSA-N 415.626 3.658 0 50 HHAA O=C1N[C@H](CC(=O)N2CCC(c3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 12048103 KYCUSFXCUQMRSZ-JOCHJYFZSA-N 412.493 3.724 0 50 HHAA CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@](C)(c3ccc(Br)cc3)O2)cc1 12364133 MFXOVSDCFCNSRY-IBGZPJMESA-N 417.259 3.788 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CCN2CCCCO2)CC1 12373795 AKOSSRLZCFNYBQ-UHFFFAOYSA-N 416.562 3.599 0 50 HHAA O=C1c2cccc3cccc(c23)C(=O)N1CCCc1nnc(S)n1-c1ccccc1 13400536 PNZRJHIHYPOQGV-UHFFFAOYSA-N 414.490 3.938 0 50 HHAA COc1ccc(CN(Cc2ccccn2)C(=O)CCn2nc(C)cc2C)cc1OC 14881930 OEANJKXNXYBGRE-UHFFFAOYSA-N 408.502 3.531 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc[n+]([O-])c4)C3)c2)c1 14950180 WSTYJOZUCWDIDL-NRFANRHFSA-N 415.493 3.786 0 50 HHAA CN(Cc1ccccc1Cl)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 15061645 FCALKQNLQXKQNQ-SFHVURJKSA-N 402.897 3.919 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3C)n2)ccc1C 16624894 MXGBNLLTLVVGNO-MRXNPFEDSA-N 404.470 3.685 0 50 HHAA COc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1OC 19300340 BVCODQJLYMAJBK-HXUWFJFHSA-N 413.537 3.630 0 50 HHAA COc1ccc2c(c1OC)C(=O)N(c1ncn(Cc3ccc(Cl)c(Cl)c3)n1)C2 20606670 IYLRIJMSUWNBGH-UHFFFAOYSA-N 419.268 3.811 0 50 HHAA CSc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1 65363148 WKTCSOGOYVWOKM-UHFFFAOYSA-N 421.530 3.691 0 50 HHAA O=C(CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc2ccccc2c1 100567249 QNVTYTZAIOUTKK-IBGZPJMESA-N 408.454 3.983 0 50 HHAA O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)ccc1Cl 100747622 JMGAIYCFTKHSOS-YJPXFSGGSA-N 424.884 3.983 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4noc(-c5cc(F)ccc5F)n4)c3CO2)cc1 169769059 RNWJNPDCJSBBGC-QGZVFWFLSA-N 411.368 3.553 0 50 HHAA Fc1ccc(Cc2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)cc1 169769232 QVISFGNZSCOQID-QGZVFWFLSA-N 411.824 3.983 0 50 HHAA CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)c(F)c3)C2)c1 170618422 BDHYRXOJFWTGOC-LJQANCHMSA-N 423.897 3.938 0 50 HHAA CCOCCCNCc1cc2cc(OC)c(OC)cc2n(Cc2ccc(C)cc2)c1=O 299756402 HVYUKTWFCUBFFF-UHFFFAOYSA-N 424.541 3.892 0 50 HHAA O=C([C@@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCN(c2ccc(Cl)cc2)CC1 299766431 DBGAKTNHBQJWRP-FQEVSTJZSA-N 401.869 3.515 0 50 HHAA Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCC(=O)N1CCCC1 427370219 PEFWHFXDNZACLB-UHFFFAOYSA-N 416.319 3.535 0 50 HHAA CC(=O)NCCc1ccc(S(=O)(=O)N2CC(C)(C)c3c(Cl)cccc32)s1 477184473 BENARRQUYCJDMG-UHFFFAOYSA-N 412.964 3.567 0 50 HHAA COCCN(C)c1ccc(CNc2nc(-c3ccccc3)c(NC(C)=O)s2)cn1 478577878 AMVTVZYONDYARJ-UHFFFAOYSA-N 411.531 3.858 0 50 HHAA Cc1ccncc1[C@@H](C)OC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 773944282 NAMXGEFNODPENS-OAHLLOKOSA-N 421.478 3.869 0 50 HHAA CC(=O)N1CCCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)c2ccccc21 791607664 FDQHHOZYRCNJHE-IBGZPJMESA-N 415.287 3.542 0 50 HHAA Cc1ccccc1[C@@H](C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1)N(C)C 952969488 ARZJJKRTZVSZLE-QHCPKHFHSA-N 408.546 3.661 0 50 HHAA Cn1nc(-c2cccs2)cc1C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 1506397270 KNFHRVTXIRLSKK-UHFFFAOYSA-N 408.487 3.583 0 50 HHAA O=C(c1cc(-c2ccccn2)[nH]n1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1506399495 ACMXGPMIBHBJNA-KUWBRRTOSA-N 402.498 3.764 0 50 HHAA CO[C@H]1CN(C(=O)c2oc(COc3ccccc3)cc2C)C[C@H]1Cc1cc(C)no1 1704280619 XYUSHDNREQYEJB-UTKZUKDTSA-N 410.470 3.793 0 50 HHAA O=C1N[C@@H](CCN2CCCCC2)C(=O)N1CCOc1ccccc1-c1ccccc1 1776003231 GXDOUPBQHLEVDP-NRFANRHFSA-N 407.514 3.529 0 50 HHAA O=C(c1ccccn1)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857704666 BBCQYXNRAPOKSM-OAQYLSRUSA-N 421.541 3.710 0 50 HHAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@@]2(C)CCCc3ccccc32)C1 1875383197 KQBREQZFKYHYQL-OUIFVKKZSA-N 402.538 3.799 0 50 HHAA C[C@H](C(=O)N[C@H](C)CCNC(=O)CCC(=O)c1cccs1)c1ccccc1F 2325826021 LYCVKAHGTJDRBW-CABCVRRESA-N 404.507 3.665 0 50 HHAA N=c1[nH]c(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3CC2CCCCC2)cs1 2356153707 RONQDRQBUGOYAA-UMGGQSCQSA-N 402.608 3.841 0 50 HHAA CC(C)CCN1C(=O)[C@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)c2ccccc21 2356163666 MTFURBBTIRMAPV-DEOSSOPVSA-N 402.498 3.740 0 50 HHAA O=S1(=O)N=C(N(CCOc2ccccc2)CCOc2ccccc2)c2ccccc21 705010 ORYNKHQCPWHWRI-UHFFFAOYSA-N 422.506 3.596 0 50 HHAA C[C@H](C(=O)Nc1cccnc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 789109 HBMYHVGEMRTCDB-MRXNPFEDSA-N 411.483 3.667 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1 821381 IAKQMPZCPZCASS-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1F 867213 KHBVAVXTOKFRAP-KRWDZBQOSA-N 405.882 3.919 0 50 HHAA O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN1S(=O)(=O)c1cccc2ccccc12 1085407 WXJOWIGQOQYYGU-KRWDZBQOSA-N 415.902 3.680 0 50 HHAA aggregator CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)c(OC)c2)cc1 1194362 HDGCESYEYGPCJG-IBGZPJMESA-N 409.529 3.539 0 50 HHAA CC(C)(C)OC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O 2382532 QUOBISMBRGYPCV-FQEVSTJZSA-N 424.497 3.501 0 50 HHAA Cn1nc(C(=O)NCc2ccc(Cl)cc2)cc1C(=O)NCc1ccc(Cl)cc1 2802272 SNSYSLWMVPGXMX-UHFFFAOYSA-N 417.296 3.587 0 50 HHAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CCc4cnn(C)c4)C3)C2)cc1 11839570 BUWZMFOVPMTYDW-VWLOTQADSA-N 408.590 3.991 0 50 HHAA O=C(NCCc1cscn1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11938004 BNQMXKYCLUTFAM-UHFFFAOYSA-N 422.554 3.554 0 50 HHAA CS(=O)(=O)c1ncc(CN(CC2CCC2)C[C@H]2CCCO2)n1CC1CCCCC1 12447353 ISXJXBPJIQJYOW-OAQYLSRUSA-N 423.623 3.648 0 50 HHAA Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)c2cncs2)C1 14959431 JICUVYMSBXIRBL-CABCVRRESA-N 404.561 3.532 0 50 HHAA Cc1cc(=O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(CC2CCCC2)n1C 14995227 KHZQTDQDDYGSDP-UHFFFAOYSA-N 421.585 3.821 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(Cc2cnc(N(C)C)s2)C1 19606734 JTUAGOCWIOINHR-NRFANRHFSA-N 405.539 3.736 0 50 HHAA O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(N3CCN(Cc4ccccc4)CC3)ncc21 19899886 DWJNXYSRTRXLSS-FQEVSTJZSA-N 416.500 3.851 0 50 HHAA CCn1nccc1[C@H](C)NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 20602532 OWCRHFVVDPDYDJ-NSHDSACASA-N 420.439 3.730 0 50 HHAA COc1ccccc1-n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cnn(C)c3)nc21 20603242 LYCXWXPMGACUGV-UHFFFAOYSA-N 415.425 3.790 0 50 HHAA Clc1ccccc1-c1nn2c(CN3CCN(c4ccccc4)CC3)nnc2s1 65362395 UZIWWJYJODZZBR-UHFFFAOYSA-N 410.934 3.828 0 50 HHAA CN1c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2C(=O)N2CCCCC[C@H]21 169765982 KFIRRKRNEIUITH-NRFANRHFSA-N 407.470 3.502 0 50 HHAA CC(C)[C@@]12CC[C@](C)(O1)[C@@H](Oc1cccc(Cl)c1CNC(=O)[C@@H]1C[C@@H]1C(=O)O)C2 221672353 YVYOHLNJGLJXES-YPENQOSPSA-N 421.921 3.792 0 50 HHAA CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCCN1CCC[C@@H](C)C1 222089688 GKXKHLBIZXSMRO-NNULNVEZSA-N 417.638 3.582 0 50 HHAA CCc1cnc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CCOC)s1 252491490 LNJXWSFMBBUUOY-UHFFFAOYSA-N 421.954 3.812 0 50 HHAA CC(C)C[C@H](C(=O)NCCCc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O 252500925 TZKZLTNLFNDGRT-OAQYLSRUSA-N 404.514 3.682 0 50 HHAA O=C(CC[C@H]1NC(=O)N(c2ccccc2)C1=O)N[C@H]1CCCc2c1[nH]c1ccccc21 409414862 PVOZFWQMQGFNGX-VQTJNVASSA-N 416.481 3.567 0 50 HHAA CN1CCN(C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)[C@H](c2ccccc2)C1 435940957 ZQYPITRUFHHQES-QHCPKHFHSA-N 400.478 3.752 0 50 HHAA O=C(c1c[nH]n2c1nc(=O)c1ccccc12)N1C[C@@H](c2ccccc2)c2ccccc21 444512577 IJYCPNJEQIYVNW-FQEVSTJZSA-N 406.445 3.968 0 50 HHAA O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1sccc1S(=O)(=O)C(F)F 765997156 CWJBJKWSJGILCY-NSHDSACASA-N 413.389 3.648 0 50 HHAA NC(=O)c1nc(Cl)ccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 1319938691 KYSKDUBDPQPMIC-QGZVFWFLSA-N 421.840 3.540 0 50 HHAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N(C)C[C@H]2Cc3ccccc3O2)s1 1506404110 RUSKYEHAACGTGC-OAHLLOKOSA-N 404.513 3.644 0 50 HHAA O[C@@H]1CN(Cc2cc(CN3CCCC3)cs2)C[C@H]1Cc1ccnc2ccccc12 1529094669 JHBFOXDUPTYRMU-HYBUGGRVSA-N 407.583 3.928 0 50 HHAA Cc1ccc(F)c(/N=c2\scc(-c3cnccn3)n2CCOC[C@@H]2CCOC2)c1 1875255773 FEMXBMNJTHFKAJ-XMSLFVONSA-N 414.506 3.740 0 50 HHAA C[C@H](Nc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1ccc(N2CCCC2=O)cc1 1875257621 YOYJXBQGEAWVBW-RXVVDRJESA-N 420.557 3.684 0 50 HHAA CNC(=O)c1cccc(CCC(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)c1 1875390202 FNQRKZULSOAMFL-SFHVURJKSA-N 400.906 3.702 0 50 HHAA Cc1ccc(N2C[C@H](C(=O)Nc3nnc(CCc4ccccc4)s3)CC2=O)cc1 1049118 CWBZFLCMYIWCKT-QGZVFWFLSA-N 406.511 3.623 0 50 HHAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)CC(F)(F)F)CC3)c2)s1 11763601 YHAXEJXJBIPQDW-UHFFFAOYSA-N 412.437 3.643 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)cc1OC 11772323 JPSPIXQGSZAAGY-QGZVFWFLSA-N 421.449 3.545 0 50 HHAA O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCC[C@@H](CCCO)C1 11873528 ZZEAYDCZQXELJD-AWEZNQCLSA-N 412.408 3.897 0 50 HHAA C[C@H]1CN(C(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)CCN1C 12196946 IWUKXYWHKDRBGB-LBPRGKRZSA-N 408.449 3.858 0 50 HHAA COc1ccc(CN2CCC(C)CC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12301261 HXIWLCRGTVQISM-QHCPKHFHSA-N 412.574 3.799 0 50 HHAA O=C(NCCc1nc(-c2ccccc2)cs1)c1cn(CCc2ccccc2)nn1 14977413 NBWBSNQTGKOLBJ-UHFFFAOYSA-N 403.511 3.617 0 50 HHAA O=C(c1ccco1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 15068114 GKLWJSCNDPEDRS-SFHVURJKSA-N 407.436 3.725 0 50 HHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(Cc2cnc(SC)nc2)C1 15068835 VXVMWRDRPMYTAV-QFIPXVFZSA-N 415.559 3.813 0 50 HHAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(-c2cnc3ccccc3n2)c1 16488135 SZLSTYZJKLVECQ-UHFFFAOYSA-N 422.444 3.922 0 50 HHAA O=C([C@H]1COc2ccccc2O1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20100811 WTTCZNIWPGURJA-XMMPIXPASA-N 414.505 3.760 0 50 HHAA O=C(CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1)NCc1ccc(Cl)cc1 23095819 VVLLQAJTYBKWNK-UHFFFAOYSA-N 401.982 3.543 0 50 HHAA CC(C)(C)c1nc2c(Br)nc(I)c(C=O)c2o1 66054172 XRXFXUXNVUVNMM-UHFFFAOYSA-N 409.021 3.700 0 50 HHAA in-vitro O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)cc1 170620129 XELPCTAOFNWRBU-UHFFFAOYSA-N 423.416 3.570 0 50 HHAA Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCc2nc3ccccc3n2C(C)C)[nH]n1 218572272 PSOVGNJPTNZKHM-UHFFFAOYSA-N 419.533 3.720 0 50 HHAA COc1ccc(NC(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)cc1F 263617909 QIYVLTPKZZKIQW-KRWDZBQOSA-N 402.813 3.603 0 50 HHAA CCCOc1ccc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c(OCCC)c1 430094507 KMLUXRFJEVBYQD-KKSFZXQISA-N 401.507 3.648 0 50 HHAA CCc1c(Cl)nc(-c2ccccc2)nc1N1CCN(C(=O)c2cccn2C)CC1 763329011 DDTYXMQTLGUMBF-UHFFFAOYSA-N 409.921 3.660 0 50 HHAA CN1CC2(CCN(C(=O)c3ccc(Oc4ccc(Cl)cc4)cn3)CC2)OC1=O 2325818757 WUISFNXMTRWMBS-UHFFFAOYSA-N 401.850 3.584 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCCC1 687729 BYEJOOLKZXFPCM-UHFFFAOYSA-N 412.861 3.892 0 50 HHAA COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 863299 GTCGANZPAKKBDH-UHFFFAOYSA-N 403.847 3.907 0 50 HHAA CC(=O)Oc1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C)c4)cc3C2=O)c1 1188269 BPWKCLZGNBEBPQ-UHFFFAOYSA-N 414.417 3.973 0 50 HHAA COc1ccc(Nc2nc(N)nc(CN3CCC(Cc4ccccc4)CC3)n2)cc1 1459758 WDYIDAUIWRIEAK-UHFFFAOYSA-N 404.518 3.661 0 50 HHAA COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)c1 11820299 CGLWRPHFKACCDM-FQEVSTJZSA-N 404.514 3.822 0 50 HHAA Cc1c(C(=O)NCCc2ccccc2F)sc2ncnc(NC[C@H]3CCCO3)c12 11998000 MEURLXJUCWXYOL-OAHLLOKOSA-N 414.506 3.702 0 50 HHAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCc3ccccc3)c2C)n1 12164650 KPJDKMGOBHSIEG-UHFFFAOYSA-N 413.481 3.619 0 50 HHAA CC(C)N1C(=O)[C@H](Cc2nc3ccccc3c(=O)[nH]2)c2cc(Br)ccc21 12382567 AJNSVEHQNDAQJS-OAHLLOKOSA-N 412.287 3.767 0 50 HHAA CCOCc1cc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)ccc1OC 12596949 NXHFBKNVWKPLAG-UHFFFAOYSA-N 412.534 3.614 0 50 HHAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2ccccc2C(C)=O)C1 14972322 DHCIPRKTRHLGMD-HXUWFJFHSA-N 408.542 3.925 0 50 HHAA Cc1nc(CN(C)Cc2ccc(OCCN(C)C(=O)c3ccncc3)cc2)cs1 15067207 LUWIAERJCBECQC-UHFFFAOYSA-N 410.543 3.630 0 50 HHAA CCOC(=O)C1CCN(C(=O)c2ccc(-c3cc(C)cs3)nc2N(C)C)CC1 20999339 VKRUYBAUFJILKX-UHFFFAOYSA-N 401.532 3.600 0 50 HHAA Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1 34375693 WYJCYXOCHXWTHG-UHFFFAOYSA-N 418.541 3.734 0 50 HHAA in-man COCCCn1c(CN(C)Cc2ccc(C)cc2)cnc1S(=O)(=O)C1CCCC1 55370680 HYGYQULFBWHCOC-UHFFFAOYSA-N 419.591 3.576 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2cnc[nH]2)CC1 95528937 WROMWLRNEMOJJC-UHFFFAOYSA-N 403.530 3.668 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccs3)C2=O)cc1 101268072 BBDZXTPMYXECLD-SLFFLAALSA-N 406.463 3.808 0 50 HHAA O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 170625825 PRZNALJFJMOSOL-JHVJFLLYSA-N 400.425 3.742 0 50 HHAA COc1ccc2c(c1)CCCN2C(=O)CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 170640036 KCVQSWPTQSODNK-UHFFFAOYSA-N 416.453 3.830 0 50 HHAA CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NCCCn1ccc2ccccc21 226848144 YLBAGEAIKPPQEH-LJQANCHMSA-N 411.575 3.788 0 50 HHAA Cc1cccn2cc(CN3CCN(C(=O)/C=C/c4ccc(Cl)cc4)CCC3=O)nc12 299755226 BRHMJMTUKXZIBL-RMKNXTFCSA-N 422.916 3.570 0 50 HHAA CCOC(C(=O)N[C@H](C)c1cn2ncsc2n1)(c1ccccc1)c1ccccc1 426421729 DYOQVRVVUSKLFW-MRXNPFEDSA-N 406.511 3.948 0 50 HHAA Clc1ccc2c(c1)CN(c1nnc([C@@H]3COCCO3)n1CCc1ccccc1)CC2 460450509 OEXZEQUPQLUEAO-NRFANRHFSA-N 424.932 3.825 0 50 HHAA O=C([C@@H]1CCc2c[nH]nc2C1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 463612383 MRXRGELVELDJSH-ZBFHGGJFSA-N 411.893 3.624 0 50 HHAA COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)cc1 888103546 MIOSFPFSZMLAKQ-NEUULRRLSA-N 409.574 3.842 0 50 HHAA COCCCCS(=O)(=O)N1CC(C)(C)[C@H]1c1nccn1-c1cccc(Cl)c1 952891743 BVHBMZKNGXOUCN-QGZVFWFLSA-N 411.955 3.665 0 50 HHAA Cc1[nH]nc(CCC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1C 1704341493 UQWAGFVERZTVDC-VWLOTQADSA-N 415.541 3.923 0 50 HHAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cc(-c4ccc(CC)cc4)[nH]n3)C[C@H]12 1857696658 KNDWIWUGXNZVBG-BCSOYYNPSA-N 407.514 3.713 0 50 HHAA O=C(c1ccccc1)N1CCC[C@](O)(CN2CCC3(CCc4ccccc43)CC2)C1 1857708070 SSSAUEYWLSIUHV-SANMLTNESA-N 404.554 3.634 0 50 HHAA C[C@@H](O)COc1ccccc1CNCc1ccc(OCc2cn3ccccc3n2)cc1 1875257130 SWXOSXRCHHXTQH-LJQANCHMSA-N 417.509 3.963 0 50 HHAA Cc1cccc(C)c1NC(=O)Cc1noc(Cc2ccc3c(c2)OC(F)(F)O3)n1 1875327377 WYGBXTVLLJOPHK-UHFFFAOYSA-N 401.369 3.780 0 50 HHAA Cc1ccnc(-n2cc(S(=O)(=O)Nc3ccc(OCCC(C)C)c(F)c3)cn2)c1 1875335676 BPUMBJHSCBQPNW-UHFFFAOYSA-N 418.494 3.941 0 50 HHAA O=C(O)c1ccc(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 2325850230 QLHHHAUIXCVJLN-GOSISDBHSA-N 406.404 3.857 0 50 HHAA COc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 816897 XOTYUBZXHIWSLF-NSHDSACASA-N 417.314 3.795 0 50 HHAA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1 1114695 BVDBYYHLFGEQOC-UHFFFAOYSA-N 418.515 3.675 0 50 HHAA COc1ccc(C(=O)CN2C(=O)O[C@H](c3ccccc3)[C@@]2(O)c2ccccc2)cc1 1422471 PJDQYVLNACAXBY-VWNXMTODSA-N 403.434 3.917 0 50 HHAA COc1ccccc1Nc1nc(N)nc(CN2CCC(Cc3ccccc3)CC2)n1 1459759 RNQJSCFOYDZTNE-UHFFFAOYSA-N 404.518 3.661 0 50 HHAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2846382 CYXFVRYKHFSZQY-UHFFFAOYSA-N 403.851 3.575 0 50 HHAA COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)c1C 3568888 LZGRXUPQGJFQND-UHFFFAOYSA-N 414.531 3.530 0 50 HHAA CCOc1ccccc1NC(=O)CS[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O 4820716 VGEZCEJOVKVEKP-IBGZPJMESA-N 412.511 3.706 0 50 HHAA Cc1cc(OCc2cc(C(=O)N3CCN(CC4CC4)CC3)no2)cc(C)c1Cl 11715446 AIKVCMYVNVHGFQ-UHFFFAOYSA-N 403.910 3.692 0 50 HHAA C[C@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)N(C)Cc2nc3ccccc3[nH]2)on1 12150001 ZBQBDOJCLJSINN-CQSZACIVSA-N 418.453 3.898 0 50 HHAA CSc1ncc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 12573351 AYPSIECBRDGFMD-HNNXBMFYSA-N 420.529 3.785 0 50 HHAA O=C(Cc1ccc(N2CCC(NCCc3ccco3)CC2)cc1)NCc1ccccc1 14983834 YABHPPAURSIPNM-UHFFFAOYSA-N 417.553 3.940 0 50 HHAA COc1ccccc1NC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)O)sc2c1CCC2 17090674 NJXMNBYWORMEGH-GFCCVEGCSA-N 416.499 3.937 0 50 HHAA COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18057012 AJAPTWKTHVPRHV-BDTNDASRSA-N 418.424 3.885 0 50 HHAA CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)n1 18119207 BVVBTLBMCQSHDJ-UHFFFAOYSA-N 403.838 3.621 0 50 HHAA O=C([C@H]1CCCCn2nnnc21)N1CCCC(c2ccccc2)(c2ccccc2)C1 95525815 MHEFFYSGFDQAQU-NRFANRHFSA-N 401.514 3.549 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(C)c(C)c5)no4)c3CO2)cc1 169758377 XMQJBDNGIFHNFY-IBGZPJMESA-N 403.442 3.892 0 50 HHAA COc1ccc([C@@H]2CCCCCN2C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 248185831 HKHGEELTCHNNGM-NJYVYQBISA-N 412.530 3.704 0 50 HHAA CC(C)OCCN1CCC(Nc2ncccc2C(=O)N2CCc3ccccc32)CC1 476198688 JWBPAUXQLAIASX-UHFFFAOYSA-N 408.546 3.586 0 50 HHAA CC1(C)CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)C[C@]2(CCOC2)O1 478403170 CSGMFVOVXYORJD-NRFANRHFSA-N 404.894 3.724 0 50 HHAA CC1(C)[C@@H](NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CS1(=O)=O 1857530907 VSXDUGWREIYJLE-HNNXBMFYSA-N 413.923 3.936 0 50 HHAA Clc1ccc([C@H]2CN3C[C@H](NC4CCN(Cc5ccco5)CC4)C[C@H]3CO2)cc1 1857715808 JFQFUWNBYUMKEW-FUPPJEDESA-N 415.965 3.701 0 50 HHAA O=C(NCc1cc(C2CC2)on1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857724461 FPPTVCIMSWZHEI-ZDUSSCGKSA-N 400.866 3.879 0 50 HHAA Cc1cc(OCC(=O)NCc2nc(-c3ccccc3)no2)c(C)cc1Br 1065942 CGHNEEYIZRSWBG-UHFFFAOYSA-N 416.275 3.811 0 50 HHAA COC(=O)COc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1 1125034 MJWWBFXVFLDSAA-UHFFFAOYSA-N 405.406 3.856 0 50 HHAA O=C(COC(=O)c1ccccc1I)c1ccc(Cl)cc1 1228401 JOJIOAGOBUZABZ-UHFFFAOYSA-N 400.599 3.984 0 50 HHAA O=c1c2ccccc2ncn1CCOCCOc1ccc(Cl)cc1Br 3002113 RMLLEBGUKWMKPJ-UHFFFAOYSA-N 423.694 3.908 0 50 HHAA COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)no2)cc1 4176546 XSQTXXRWBRHYCM-LLVKDONJSA-N 411.483 3.888 0 50 HHAA COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)Cn4nc(C)cc4C)C3)ccc2c1 11711627 YKTNRFQHZKEVEK-OAQYLSRUSA-N 405.498 3.783 0 50 HHAA O=C(NC1CCCCCCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11773772 DYQITVRTDMJFHO-UHFFFAOYSA-N 424.471 3.589 0 50 HHAA CCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1 12456162 IGJSYPCQUBNIJH-UHFFFAOYSA-N 422.485 3.857 0 50 HHAA CCOc1ccccc1-c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)o1 12650842 RCFXPMIAHCKGPZ-UHFFFAOYSA-N 424.526 3.576 0 50 HHAA COc1ccc(CNC(C2CC2)C2CC2)c(OC[C@@H](O)CN2CCCCCCC2)c1 12716444 VFGDEGLZFGKCMP-QFIPXVFZSA-N 416.606 3.979 0 50 HHAA O=C(c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1)N1CCN2CCC[C@H]2C1 13644673 RAPUXRKISQDNHN-INIZCTEOSA-N 416.312 3.623 0 50 HHAA Cc1cc(C(=O)NC[C@H](C)Oc2cccc(CN(C)Cc3cccs3)c2)n(C)n1 14878627 SVMLTTAWKKPLMG-KRWDZBQOSA-N 412.559 3.619 0 50 HHAA COc1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)cc(OC)c1 14972455 JVYRGEGVOORBEB-UHFFFAOYSA-N 420.513 3.990 0 50 HHAA COc1cccc(CC2=NO[C@H](C(=O)N3CCC(c4nc5ccccc5o4)CC3)C2)c1 14988368 QCFUAQKBLWWVBN-QFIPXVFZSA-N 419.481 3.930 0 50 HHAA O=S(=O)(NCc1ccccc1)c1cc(OC(F)(F)F)ccc1Br 16159744 VWUAOFDEHBVKLY-UHFFFAOYSA-N 410.211 3.826 0 50 HHAA in-vitro COC[C@@H]1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1 23399112 XNOAZVIRPOFPFD-JOCHJYFZSA-N 422.569 3.881 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1Cl 32533110 QKEGFQFVVHLSAX-NQIIRXRSSA-N 421.919 3.876 0 50 HHAA Cc1ccc2c(C(=O)N3CC[C@@H](n4ccnc4)C3)cc(-c3cnn(C)c3)nc2c1C 63856093 CTHQEAPYHGMICY-GOSISDBHSA-N 400.486 3.536 0 50 HHAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 95520498 SQSFLXGVIQSWCH-HSZRJFAPSA-N 404.470 3.685 0 50 HHAA CCCN(CCN1CCN(c2ccccc2OC)CC1)[C@H]1CCc2ncsc2C1 95641927 RSWFSOOHVWOZQI-IBGZPJMESA-N 414.619 3.543 0 50 HHAA COc1ccc(-c2nc(CN(C)C[C@H]3COc4ccccc4O3)c(C)o2)c(OC)c1 96406002 ZHKFFGOOLGJSJV-KRWDZBQOSA-N 410.470 3.939 0 50 HHAA CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 139052682 KNOPBCQEJBVYKI-UOVKNHIHSA-N 403.456 3.870 0 50 HHAA CCOc1ccccc1NC(=O)[C@H](C)N[C@H](C)C1CCN(CC(F)(F)F)CC1 241126166 JKAMFAAXOZSANA-CABCVRRESA-N 401.473 3.665 0 50 HHAA O=C(NC[C@@H]1CCCCO1)N(Cc1ccc2c(c1)OCO2)Cc1ccccc1F 426533963 ZLHNPBLQIJGUBN-SFHVURJKSA-N 400.450 3.835 0 50 HHAA CCC[C@H]1CCc2sc(C(=O)N3CCN(c4ccc5nccn5n4)CC3)cc2C1 426727528 RKKHBJFCLYFSRY-INIZCTEOSA-N 409.559 3.658 0 50 HHAA C/C=C/C[C@H](CO)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 474641221 XKIDYCMBYZHXGI-VMZHVLLKSA-N 423.222 3.650 0 50 HHAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3ccc(-c4csc(C)n4)s3)C[C@@H]21 1704325694 PTGPKNMTNPWEIW-QWQRMKEZSA-N 412.602 3.742 0 50 HHAA O=C(c1cccc2ncsc12)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 2356149692 QRTWZSXMWHIRET-SFTDATJTSA-N 407.539 3.974 0 50 HHAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccccc3C(F)(F)F)C1)CC2 2356158645 SXSBAQWOVRRHLC-HXUWFJFHSA-N 404.436 3.682 0 50 HHAA COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1 751919 XCAXHLLWAVKFPK-UHFFFAOYSA-N 402.410 3.979 0 50 HHAA CCCCCCNC(=O)c1cc2nc(-c3cn(C)nc3C)cc(C(F)(F)F)n2n1 2794446 OFIGPLGCKRWAJV-UHFFFAOYSA-N 408.428 3.767 0 50 HHAA COc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 4893505 SQWLRUSHJUXSCK-UHFFFAOYSA-N 410.495 3.914 0 50 HHAA CCOc1cccc(C(=O)N(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)c1 4986414 MOONLURZHJYBHJ-QGZVFWFLSA-N 407.919 3.568 0 50 HHAA CCc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 6140682 RSNRBEDQUGITAZ-UHFFFAOYSA-N 409.511 3.786 0 50 HHAA O=C(COC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCCC1 6317326 LPYQTTMEFDSSLM-UHFFFAOYSA-N 421.847 3.815 0 50 HHAA COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)c2cccnc2)C3)cc1 11814249 BXOMDAGMLOWEHX-IBGZPJMESA-N 422.868 3.922 0 50 HHAA O=C(NCc1ccco1)[C@@H]1CC12CCN(Cc1ccc(Oc3ncccn3)cc1)CC2 11838817 NVFYWZGWRRPZTD-NRFANRHFSA-N 418.497 3.780 0 50 HHAA CC(=O)N1CCC(C(=O)NC[C@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)CC1 12056445 WPVJENMLXAYQPU-GOSISDBHSA-N 418.946 3.747 0 50 HHAA CC1(C)C[C@H](NC(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CCO1 12056748 SSGNJGMGWQNMBU-BWKNWUBXSA-N 408.542 3.885 0 50 HHAA CCn1nc(C)c(CNC(=O)c2cc(COc3ccc(OC)cc3Cl)on2)c1C 12193783 HZNSNHIYDJROHS-UHFFFAOYSA-N 418.881 3.679 0 50 HHAA O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC12CCN(C(=O)c1cncs1)CC2 12211923 GSSPPQLXTGOXBJ-OAHLLOKOSA-N 423.460 3.721 0 50 HHAA O=C(NCc1cccnc1)c1ccc(N2CCC(NCCc3cccs3)CC2)cc1 12213397 PKJWWLWPWQEXNF-UHFFFAOYSA-N 420.582 3.874 0 50 HHAA O=C1CC[C@](CCC(=O)N2CCC[C@H](OCc3ccccc3)C2)(Cc2ccccc2)N1 14954392 BEZBFBNTRQUJJB-OZXSUGGESA-N 420.553 3.866 0 50 HHAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCc2n[nH]c(-c3ccccc3F)c2C1 15074203 XIFPQWJVHHULAQ-MRXNPFEDSA-N 408.477 3.606 0 50 HHAA CCc1c(C)sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)c1C(=O)NC1CC1 17082926 IPGQQYQCIHVJOH-CVEARBPZSA-N 404.532 3.897 0 50 HHAA COc1ccc(C(=O)N[C@H](Nc2ccccn2)C(Cl)(Cl)Cl)cc1OC 19954777 ZCLXNAVYGNNYNP-HNNXBMFYSA-N 404.681 3.637 0 50 HHAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1OC 23373543 XQXQNWZVUHJGFH-LJQANCHMSA-N 408.546 3.719 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)Cc4cccc(F)c4)C3)[nH]n2)cc1 169753951 IVLMAJWJALABKF-LJQANCHMSA-N 408.477 3.552 0 50 HHAA CC(=O)N(Cc1csc(C(C)C)n1)S(=O)(=O)c1ccc(Br)cc1 170597157 MBGDVXHMPHUDFG-UHFFFAOYSA-N 417.350 3.766 0 50 HHAA O=S(=O)(Nc1nnc2ccccn12)c1ccc(Oc2cccc(Cl)c2)cc1 492022955 QHJPZLWGNRLJLQ-UHFFFAOYSA-N 400.847 3.976 0 50 HHAA CCC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CCN1C(=O)c1ccnc(Cl)c1 753441430 IURPKANFVSNRCB-HNNXBMFYSA-N 407.301 3.550 0 50 HHAA COc1ccc(-n2cccn2)c(CN2CCC(c3nnc4n3CCCCC4)CC2)c1 824629346 JMQIMVZPLWLIIS-UHFFFAOYSA-N 406.534 3.578 0 50 HHAA Cc1ccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2F)C(=O)CCO3)s1 1857716496 ARFBKQXBXZJDMD-UHFFFAOYSA-N 416.518 3.620 0 50 HHAA O=S(=O)(c1ccc(Cl)cc1)c1[nH]c(=NCc2cccnc2)oc1-c1ccco1 1857800153 YUHZEXRQHFGCOR-UHFFFAOYSA-N 415.858 3.850 0 50 HHAA COc1ccc2[nH]ccc2c1NC(=O)[C@H]1C[C@H]1C(=O)Nc1c(OC)ccc2[nH]ccc12 2325739407 PLMGJYLJWAFTQF-GASCZTMLSA-N 418.453 3.880 0 50 HHAA CN(C)C(=O)Cc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1 2325822891 UYTOPBABIHSLAD-UHFFFAOYSA-N 400.906 3.654 0 50 HHAA O=C(c1cncs1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2CC1CCCCC1 2356159962 XKTWRXWWCHBKEV-XWSJACJDSA-N 401.576 3.955 0 50 HHAA CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(C)n2)sc2c1CCCC2 828679 IXCAMHXRUNRIQK-UHFFFAOYSA-N 405.545 3.941 0 50 HHAA COC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 845180 GOYPVSJHKAYXHK-UHFFFAOYSA-N 400.154 3.964 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)s1 1055526 RVLPMJRMFRIRBF-UHFFFAOYSA-N 415.334 3.547 0 50 HHAA Cc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1075655 KKPDUNYCWODHLO-UHFFFAOYSA-N 415.902 3.877 0 50 HHAA Fc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1 1095648 VQUAFVNBLPVXIK-UHFFFAOYSA-N 408.868 3.935 0 50 HHAA COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4)cc3n2)cc1 1180199 JBYFXCOCGTZPKC-UHFFFAOYSA-N 403.467 3.556 0 50 HHAA CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1 2835455 XRWPXACJOJOFMH-UHFFFAOYSA-N 402.560 3.993 0 50 HHAA Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)c1 2845469 OCUPNXSWWXWSMK-UHFFFAOYSA-N 401.557 3.860 0 50 HHAA O=C(N[C@@H]1CSC[C@@H]1OC(=O)c1ccc(Br)cc1)c1ccccc1 2858422 JAFCXLJLZNJFAE-CVEARBPZSA-N 406.301 3.520 0 50 HHAA CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 4808599 LLCNIKJLXFNGAC-UHFFFAOYSA-N 409.511 3.605 0 50 HHAA O=C(NCCCn1ccc2ccccc21)[C@H]1CCC(=O)N(CCc2ccccc2)C1 11666980 ZJAPDQLWRRGRPA-QFIPXVFZSA-N 403.526 3.629 0 50 HHAA Cc1cc(C(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(C)o1 11878255 YJIVXYVPURXKOH-UHFFFAOYSA-N 410.449 3.962 0 50 HHAA O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc(Cc2ccc3c(c2)OCO3)no1 12039675 UPJOXLBXKOCHPT-UHFFFAOYSA-N 418.371 3.985 0 50 HHAA CC(C)c1cc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)n[nH]1 12302351 UOIPLOQJNZMPQQ-UHFFFAOYSA-N 406.534 3.748 0 50 HHAA CCCN(CC1CC1)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC 15001429 VIQCXVLGHHIMND-UHFFFAOYSA-N 411.531 3.799 0 50 HHAA CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](N(C)Cc1cscn1)C3 20450585 DGKIKHVTBQZXSG-HNNXBMFYSA-N 402.589 3.950 0 50 HHAA CCOC(=O)[C@H]1CCCN([C@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 23379574 NTEWOQKWKJCVRE-GOTSBHOMSA-N 408.542 3.996 0 50 HHAA CN(C)CCCOc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 34999931 NXQGEDVQXVTCDA-UHFFFAOYSA-N 409.511 3.879 0 50 HHAA investigational CCN(CCc1ccccn1)C(=O)c1cc(-c2cnc(N)nc2)nc2c(C)cccc12 63832849 CTIKGYMUCJCMLU-UHFFFAOYSA-N 412.497 3.682 0 50 HHAA COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N(c4ccccc4)O[C@H]3C2=O)cc1 229881559 JYJQMKATQMDTHU-BHDDXSALSA-N 400.434 3.746 0 50 HHAA CCS(=O)(=O)c1ccc(N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 302735422 ZBAWFKJUQDVLII-HNNXBMFYSA-N 406.523 3.754 0 50 HHAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc2sc(N3CCCC3)nc2s1 476547678 OGAVEVQVUAPPPM-ZDUSSCGKSA-N 417.560 3.512 0 50 HHAA Cn1c2ccccc2c2cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)sc21 739816645 MIXIPBRMQUKISB-UHFFFAOYSA-N 405.405 3.659 0 50 HHAA CN1CCN(C(=O)c2c3ccc(Br)cc3nn2C)c2cc(F)ccc21 1435329517 VZPOLCVJHDADDH-UHFFFAOYSA-N 403.255 3.572 0 50 HHAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCCCc4cccnc4)C3)nc2c1 1857720403 SMJWPISLSBJRQM-GOSISDBHSA-N 408.502 3.587 0 50 HHAA COc1cc(CN2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)ccc1OC(C)C 1857730124 YVCUCSPQSRHZMI-ZWSUVBHBSA-N 422.525 3.757 0 50 HHAA CCC(=O)Nc1ccc(-c2noc(CCn3cnc4sc(C)c(C)c4c3=O)n2)cc1 2325736137 SVBLMUHUNHQRRB-UHFFFAOYSA-N 423.498 3.716 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1 2356156509 FPMTYVIEYOVOII-UHFFFAOYSA-N 403.482 3.790 0 50 HHAA CC(C)CNC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 1163515 SRUPSGKDQZPJGA-UHFFFAOYSA-N 422.266 3.929 0 50 HHAA CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 1422133 OFFZKTJNQXZMNU-FQEVSTJZSA-N 411.889 3.574 0 50 HHAA aggregator CC(C)CC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 4123090 WAXMHNASJFOOLJ-UHFFFAOYSA-N 424.570 3.508 0 50 HHAA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 4436570 PDYMIVFPTWKEBO-QGZVFWFLSA-N 416.499 3.621 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 4580164 HDUNMTJZTKMNLR-UHFFFAOYSA-N 416.587 3.806 0 50 HHAA CC[C@H](Oc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 4685279 GCXBVTANQQADEE-IBGZPJMESA-N 420.531 3.522 0 50 HHAA COc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccs2)cc1OC 4821080 OYLLCLQAQZOMDU-UHFFFAOYSA-N 410.455 3.917 0 50 HHAA O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(N2CCOCC2)cc1 4998233 DRPGDJMTSBOADQ-UHFFFAOYSA-N 413.587 3.943 0 50 HHAA O=C(NCCCn1ccnc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 9060447 WXRPAOCTKMQIHF-WBVHZDCISA-N 418.423 3.560 0 50 HHAA Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CCN(C2CCSCC2)CC3)cc1 11996063 ZGXDDSMWHVNZLH-OAQYLSRUSA-N 402.604 3.830 0 50 HHAA CC(C)n1cc(C(=O)N[C@H](C)c2ccco2)c(=O)c(C(=O)N(C)C2CCCCC2)c1 12036311 GIWFKXHMLKMUQI-MRXNPFEDSA-N 413.518 3.918 0 50 HHAA CN(Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1)C(C1CC1)C1CC1 12432277 UUOPLADOLDYWMX-UHFFFAOYSA-N 401.576 3.540 0 50 HHAA O=C(NC(=S)Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(Br)cc1 12466269 AIMMAPQLGGGYDB-UHFFFAOYSA-N 413.680 3.928 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C(C)C)nn2C)C1 12612632 IGRRSEUHSOTSOG-QHCPKHFHSA-N 415.509 3.711 0 50 HHAA COc1ccccc1-n1cc(CN2CCC(CO)(CCOc3ccccc3)CC2)cn1 12717419 XTRVYJLSNKLQBQ-UHFFFAOYSA-N 421.541 3.925 0 50 HHAA O=C1C[C@@H](N2CCC(Nc3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 18271407 RONKPWXRKIXARG-LJQANCHMSA-N 401.869 3.688 0 50 HHAA Cc1ccc(N2C(=O)C[C@H](N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)C2=O)c(C)c1 20494402 YRXRNQBKBMYHHM-GKWUYRECSA-N 421.585 3.522 0 50 HHAA COCc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)s1 55042491 DKXOWOYNHMQPST-IBGZPJMESA-N 413.587 3.630 0 50 HHAA O=C(Nc1ccc(Cl)cc1O)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 100770386 MIKMYFBIXGOICR-YXXDYIONSA-N 416.905 3.574 0 50 HHAA COc1ccccc1N1CC[C@H](C)N(Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 225613905 VERCQZZRVMPICU-INIZCTEOSA-N 422.485 3.575 0 50 HHAA CC(C)(C)OC(=O)N1CCN(Cc2noc(C(C)(C)C)n2)[C@@H](c2cccnc2)C1 225726903 DNODXIJPHCDZCQ-MRXNPFEDSA-N 401.511 3.556 0 50 HHAA CCc1c(C(F)(F)F)noc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 408514119 ILAKTMGYTCZQCZ-LBPRGKRZSA-N 413.371 3.886 0 50 HHAA O=C1C[C@H](C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)c2cc(F)ccc2N1 670459573 IARNGTDWUVLZKT-AWEZNQCLSA-N 400.841 3.530 0 50 HHAA COc1ccccc1/C=C(/C(=O)N1CC[C@@H](OCCN2CCCC2)C1)c1ccccc1 752109257 ZGXBLJXFKGBBOP-VZQSHRDHSA-N 420.553 3.949 0 50 HHAA O=C(NC[C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1)c1cncnc1 828202241 PGFQINKDBLQWAN-AWEZNQCLSA-N 400.935 3.987 0 50 HHAA C[C@@H](Cn1cncn1)C(=O)N(C)CCCN1c2ccccc2CCc2ccccc21 952962337 APNUHJYXBHRCKG-IBGZPJMESA-N 403.530 3.700 0 50 HHAA CCNc1nc(C)c(C(=O)N(Cc2ccncc2)Cc2ccc3c(c2)OCO3)s1 952990777 SZXBWRNXKCJIJF-UHFFFAOYSA-N 410.499 3.850 0 50 HHAA COc1ccccc1[C@H](CNC(=O)c1cn2cc(C)ccc2n1)NC(=O)OC(C)(C)C 1350923691 LNLVIDTZJQPNPH-KRWDZBQOSA-N 424.501 3.647 0 50 HHAA O=C(CCSc1ccc2c(c1)OCCO2)N1CCC[C@@H](OCc2ccccn2)C1 1506407516 PEDJLUIWTYGVDT-GOSISDBHSA-N 414.527 3.543 0 50 HHAA CCc1ccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cnc3[nH]cnc3c2)cc1 1875262657 MRMGTQKLCPRHBZ-QFIPXVFZSA-N 400.482 3.896 0 50 HHAA COc1ccc(-c2nnc(Nc3ccc(OCC(N)=O)cc3)c3ccccc23)cc1 1243603 BMSVEQCBLUBBSP-UHFFFAOYSA-N 400.438 3.913 0 50 HHAA CC(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 2853957 GAKRKYKWLYMVHG-UHFFFAOYSA-N 404.532 3.904 0 50 HHAA O=C(COc1ccc(Cl)cc1Br)N1CCN(c2ccccc2)CC1 4704986 KCKDFGFWZWHIMF-UHFFFAOYSA-N 409.711 3.830 0 50 HHAA O=C(COCc1cc(-c2cccs2)on1)N1CCN(c2cccc(Cl)c2)CC1 6876560 IFOYREJIXJCEHD-UHFFFAOYSA-N 417.918 3.922 0 50 HHAA O=C(COc1ccccc1Cl)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 11668002 HHQRYPZVIJBNFM-INIZCTEOSA-N 402.878 3.593 0 50 HHAA Cc1nc(CN(C)C(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)cs1 11788004 LTMWCHWODQIYPX-HXUWFJFHSA-N 405.951 3.735 0 50 HHAA O=C(CCC1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1cccc(C(F)(F)F)c1 11873763 LQEKZHPNDHTXNM-SFHVURJKSA-N 412.452 3.519 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 11935755 KHZKUQAPSQJZNT-AWEZNQCLSA-N 404.898 3.651 0 50 HHAA COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1cccc(F)c1F)CC2 12041430 SDWAQYPBSRLGDL-LJQANCHMSA-N 414.496 3.934 0 50 HHAA c1ccc(Cn2cc(CNC[C@H]3COCCO3)c(-c3cc4ccccc4o3)n2)cc1 12440473 SKVOPWWDEMFKCH-NRFANRHFSA-N 403.482 3.850 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4ccnn4C)C3)c2)c1 12714608 JHSLBDITZPNZIT-FQEVSTJZSA-N 402.498 3.886 0 50 HHAA COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@H](O)CN1CCCCC1 12764358 LFGJNSLLCFYNRJ-JOCHJYFZSA-N 416.537 3.658 0 50 HHAA Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)cn1 14532484 INKZVSLPKPGBHG-QHCPKHFHSA-N 421.541 3.593 0 50 HHAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(CC1CCCCC1)CC2 14534896 QMYMCNTYCGLBPQ-UHFFFAOYSA-N 412.578 3.917 0 50 HHAA COCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(NC3CCCC3)cnc21 14538874 CMZBYNWYKLUZCT-UHFFFAOYSA-N 416.522 3.808 0 50 HHAA COc1cccc(CN2C(=O)N(CCC(C)C)C3(CCN(CC(C)C)CC3)C2=O)c1 14754697 HDMNOMXFDVLKEG-UHFFFAOYSA-N 415.578 3.996 0 50 HHAA COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NCc3ccco3)c21 14990448 DQYICVZOJKGLEZ-UHFFFAOYSA-N 424.501 3.725 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 17082487 UDLVDBPNXKKGGT-KBPBESRZSA-N 402.516 3.515 0 50 HHAA O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 17090654 GTUFFAQCMFLGQJ-ZIAGYGMSSA-N 416.499 3.589 0 50 HHAA CCN(CC)C(=O)[C@@H]1C[C@@H](NCc2cc(C)c(OC)cc2C)CN1Cc1ccccc1 20255225 BTOPGHGHPBERSK-RPWUZVMVSA-N 423.601 3.913 0 50 HHAA CCOc1ccc2nc(CN3CCN(Cc4ccsc4)[C@@H](CCO)C3)ccc2c1 20295842 UEFMQICMWILKST-NRFANRHFSA-N 411.571 3.764 0 50 HHAA CN(CCCN1CCCC1)Cc1ccccc1OC[C@H](O)CN(C)C1CCCCC1 55271390 AJFIPVCRFVAVKU-XMMPIXPASA-N 417.638 3.609 0 50 HHAA O=C1NCCN(C(=O)c2sc3cccc(F)c3c2Cl)[C@H]1Cc1ccccc1 91780091 HCGRCRBOUJDYNV-AWEZNQCLSA-N 402.878 3.877 0 50 HHAA Cc1ccc(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccc(C)cc2)cc1 101089959 LENFFRJVYBMQQU-IPJJNNNSSA-N 412.555 3.804 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@H]2CCC[C@H](C)C2)c1 101099195 NLXLJWLFTNXLLP-ODYMNIRHSA-N 404.532 3.619 0 50 HHAA O=C(NC[C@H]1C[C@H]2C=C[C@H]1C21CC1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 102064108 LLRRORGDBRVPJN-TXTKFYIRSA-N 420.553 3.799 0 50 HHAA C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@H]1CSC(=O)N1)C2 102179019 DDVBPZROPPMBLW-RGYSQVAASA-N 421.559 3.860 0 50 HHAA in-vitro COc1cc(C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC 169678595 DEQJYBTXEMLYSP-BMJLPVGSSA-N 405.450 3.607 0 50 HHAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)C1 229560193 OJDBYLVSGUHPPE-KZNAEPCWSA-N 412.555 3.945 0 50 HHAA C[C@H]1CN(c2ccccc2NC(=O)NC[C@H](c2cccs2)N(C)C)C[C@@H](C)O1 229832372 UNEQDSMLZYIGND-JTDSTZFVSA-N 402.564 3.786 0 50 HHAA COc1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc(OC)c1 252515838 NYQFFWVOAXLMOK-RTBURBONSA-N 408.420 3.953 0 50 HHAA CSCC[C@@H](NC(=O)c1cc(-c2ccccn2)[nH]n1)c1nc2ccccc2n1C 252538081 MQBFTPBLJXLWFC-MRXNPFEDSA-N 406.515 3.583 0 50 HHAA O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccc(Cn2cnnn2)cc1 257199481 PAXWCZOXSFOHMY-SFHVURJKSA-N 406.877 3.664 0 50 HHAA O=C(N[C@@H]1CCc2ccccc21)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 263615940 GDFBRHOHEDMODS-OAQYLSRUSA-N 415.541 3.628 0 50 HHAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)Nc1ccc2c(c1)OC1(CCCCC1)O2 486671301 NSQSALDGTNJIEG-JIHALNKTSA-N 422.525 3.749 0 50 HHAA O=C([C@H](O)c1cccc(C(F)(F)F)c1)N1CCc2c(cnn2-c2ccccc2)C1 795243320 DSTXXWNPIBCOSR-LJQANCHMSA-N 401.388 3.509 0 50 HHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NC[C@H]1CCCN(Cc2ccco2)C1 952985482 HLRZYKZKBHFSGU-OAHLLOKOSA-N 403.910 3.924 0 50 HHAA CC(C)Sc1nnc(NC(=O)c2cccc(OCC(=O)N3CCCCC3)c2)s1 1506403404 AYDPQLLGCXVJJR-UHFFFAOYSA-N 420.560 3.682 0 50 HHAA CCOc1cc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)ccc1OCC=C(C)C 1857692577 LIGVXJRVBRQLAC-IBGZPJMESA-N 403.519 3.744 0 50 HHAA CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 857996 SKVQCWLNQWJCMB-UHFFFAOYSA-N 422.934 3.556 0 50 HHAA Cc1cc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Br 943312 FUUDZMQRRYZEMJ-UHFFFAOYSA-N 405.292 3.612 0 50 HHAA Cc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(Br)cc1 2147544 AOGMLUDGAHPOFS-UHFFFAOYSA-N 404.260 3.902 0 50 HHAA COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 4145302 HHYPORIGQTYRPD-OEXZBZRSSA-N 414.527 3.768 0 50 HHAA COc1ccccc1OCC(=O)Nc1nc(-c2cccs2)c(NC(C)=O)s1 9066223 OWCSZYXNEKBEMF-UHFFFAOYSA-N 403.485 3.856 0 50 HHAA O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)CCN2CCCCO2)C1 12303793 YIVDUBAKLDGSOM-FQEVSTJZSA-N 406.526 3.777 0 50 HHAA Cc1cnccc1CNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12448582 YLHBMFSCWWXNBT-UHFFFAOYSA-N 416.525 3.758 0 50 HHAA CCOC(=O)C[C@@H](CC(C)C)NC(=O)c1cc(COc2c(C)cccc2C)on1 12584981 ZETHWEFXHYDJMF-QGZVFWFLSA-N 402.491 3.968 0 50 HHAA COc1ccccc1CCC(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1 12718478 GZQUJRBNURPKNQ-UHFFFAOYSA-N 412.534 3.673 0 50 HHAA CC(C)n1cc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cn1 12761059 GAHFGFCCMUMECC-UHFFFAOYSA-N 406.534 3.679 0 50 HHAA Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)Nc3ccccc3)ccc21 13816084 CTBHEXWQMYNJJQ-UHFFFAOYSA-N 403.442 3.783 0 50 HHAA CC(C)C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cnc2ccccn2c1=O 19113694 OZZLMDZVAMHLRL-FQEVSTJZSA-N 400.482 3.962 0 50 HHAA COc1cccc(C(=O)[C@H]2CCCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 20778196 YBTOGCMWWUFSLW-FQEVSTJZSA-N 419.525 3.588 0 50 HHAA C[C@H]1CCc2nc3sc4c(c3c(C(F)(F)F)c2C1)NC(=O)[C@H]1CCCN1C4=O 65363263 SITCJWNNOTZCNP-GZMMTYOYSA-N 409.433 3.997 0 50 HHAA Cc1nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc(C(F)(F)F)n1 169772295 XUSRDHLGSPCWQB-UHFFFAOYSA-N 402.779 3.559 0 50 HHAA CCCN(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O 215040303 BUAMXSJNZNWPCL-UHFFFAOYSA-N 407.314 3.957 0 50 HHAA COc1cc(C(=O)N[C@H]2CCCN(c3ccnn3C)C2)cc(Cl)c1OCC(C)C 225550764 NNHMYOKICMGMBK-INIZCTEOSA-N 420.941 3.516 0 50 HHAA Cc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(Cl)cc1Br 231422281 JRTSABAGBPYAHA-UHFFFAOYSA-N 423.804 3.998 0 50 HHAA C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 254128340 LOAFSWHUOUKUPQ-KVYDFGGZSA-N 416.521 3.506 0 50 HHAA COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O 306122895 JEDPSOYOYVELLZ-UHFFFAOYSA-N 419.525 3.870 0 50 HHAA in-vitro O=C(Cc1ccc(Cl)cc1Cl)NCC1(O)CCN(Cc2ccccc2)CC1 397500106 WDTPOKMBOOZXRF-UHFFFAOYSA-N 407.341 3.679 0 50 HHAA Cc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)o2)cc1NC(=O)CN(C)C 952976553 RXZKJPNLGIFHKA-UHFFFAOYSA-N 412.534 3.572 0 50 HHAA COc1cc(-c2onc(N3CCC[C@@](CO)(CC(C)C)C3)c2C(=O)O)ccc1F 1704316073 UTKHDWUDYIEUIA-OAQYLSRUSA-N 406.454 3.813 0 50 HHAA CCc1c(NC(=O)N[C@@H](C)[C@H](C)n2cncn2)cnn1-c1ccc(C(F)(F)F)cc1 1875262921 UTINRUDZYKNLKN-STQMWFEESA-N 421.427 3.816 0 50 HHAA CS(=O)(=O)c1ccc2c(NC(=O)[C@@H]3CCOc4ccc(Cl)cc43)cncc2c1 2325821254 YZZABCCJOKORAD-MRXNPFEDSA-N 416.886 3.797 0 50 HHAA CC(C)(C)n1cc(CN[C@H]2CCN(Cc3ccccc3)c3ccccc32)c(O)nc1=O 2325824977 XWKSQDBGUWXUGJ-NRFANRHFSA-N 418.541 3.945 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cc(C)ccc2C)cc1 887099 OIHDWINFZKWAMY-UHFFFAOYSA-N 409.511 3.841 0 50 HHAA Cc1ccc2c(c1)CN(CCC(=O)N1CCC([C@@H](O)c3ccccc3)CC1)C[C@@H](C)O2 11841873 XPTRGIZHCYWHAA-IBVKSMDESA-N 422.569 3.940 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCCN1Cc1nc2ccc(F)cc2[nH]1 11935585 ZPLNYALXRZZWAT-OAQYLSRUSA-N 418.476 3.881 0 50 HHAA Cc1cccn2cc(CNC(=O)c3cn(C(c4ccccc4)c4ccccc4)nn3)nc12 11936458 PLGKWINJHBJIJH-UHFFFAOYSA-N 422.492 3.802 0 50 HHAA O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCCc1nc(-c2ccccc2)cs1 12123144 ORNYGDISVPWHME-QHCPKHFHSA-N 423.538 3.734 0 50 HHAA CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1cc2c(cc1Cl)OCO2 12572655 ZTPYDSLJWMQMPS-BBRMVZONSA-N 402.903 3.780 0 50 HHAA COCCn1ccc(-c2sc(NCc3cccn3-c3nccs3)nc2C)n1 14951618 XSPBKFMFYFEOKJ-UHFFFAOYSA-N 400.533 3.821 0 50 HHAA Cc1nc(CN(C)Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)c(=O)[nH]2)cs1 14995516 DZNFIYMNHSDBBA-OAQYLSRUSA-N 422.554 3.579 0 50 HHAA CCc1ccc(NC(=O)Cn2nc(-c3ccc(CC)c(NC(C)=O)c3)ccc2=O)cc1 16626406 HFXWUXSYRQMFTR-UHFFFAOYSA-N 418.497 3.632 0 50 HHAA COCCCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12 17081811 SBWOPPMOXAGAMK-UHFFFAOYSA-N 400.276 3.826 0 50 HHAA C[C@@H](c1ccon1)N(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 19794649 NRMMHVCNHJVBLX-INIZCTEOSA-N 423.542 3.892 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1 42358713 HKPOKJLVMDEZAH-QGZVFWFLSA-N 417.465 3.870 0 50 HHAA Cc1nc(C)c(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)s1 55153364 KMXIHWHENWMZKM-LJQANCHMSA-N 418.994 3.840 0 50 HHAA Cc1cc(C)n(-c2ccc(NCCNC(=O)Nc3ccc4ccccc4c3)nn2)n1 65365663 JPFXQFAUTYKJDO-UHFFFAOYSA-N 401.474 3.666 0 50 HHAA CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1ccccc1C(F)(F)F)CCO2 67772250 BGFOJKATQFWEPY-OAQYLSRUSA-N 408.464 3.869 0 50 HHAA O=C(COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Cl)cc1 100838797 DSSFNNUPHHAWPT-PBFVBANWSA-N 407.853 3.913 0 50 HHAA COc1cccc(CN2CCN(Cc3ccccc3C(F)(F)F)C[C@H]2CCO)c1 104466870 ULUVJZNPTKQODW-LJQANCHMSA-N 408.464 3.783 0 50 HHAA Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@](C)(O)C2CCCCC2)cc1 170611512 OQNHJGBSKDYZHT-VWLOTQADSA-N 419.525 3.755 0 50 HHAA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 253498935 BCPZDSVCYKERMU-AFSFJNCESA-N 420.590 3.745 0 50 HHAA biogenic Oc1nc(NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)nc2ccccc12 301195432 JXQIPLJNDUFVLK-GOSISDBHSA-N 418.419 3.840 0 50 HHAA CC1(C)CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)CCS1(=O)=O 446489394 YHUZJLXEVDWOHJ-UHFFFAOYSA-N 417.493 3.943 0 50 HHAA O=C(NCCCc1nc2c(s1)CCCC2)Nc1nnc(CC(F)(F)F)s1 483987099 RYYBXIWKLDTYTF-UHFFFAOYSA-N 405.471 3.733 0 50 HHAA c1ccc(OCc2nc3ccccc3n2Cc2nc(-c3ccnc4ccnn34)no2)cc1 813343719 AQXIQBNQQAQJKA-UHFFFAOYSA-N 423.436 3.756 0 50 HHAA O=C([C@H]1C[C@@H]2CCCCN2C1)N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952891587 AKSWNNKTHOIQCR-FPOVZHCZSA-N 408.521 3.863 0 50 HHAA Cc1nc(O)nc(O)c1CC(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 1446982793 AEZRVXBNNHQWOA-GOEBONIOSA-N 409.408 3.552 0 50 HHAA NC(=O)[C@@H]1c2ccccc2CCN1C(=O)C1CC(c2ccc(C(F)(F)F)cc2)C1 1875253581 IPSHSTZTXSBYGD-RJYAGPCLSA-N 402.416 3.810 0 50 HHAA O=C(N[C@H](COc1ccccc1C(F)(F)F)c1ccccc1)c1cnnc(O)c1 1875331691 USQVDNONTRLHFG-MRXNPFEDSA-N 403.360 3.751 0 50 HHAA c1ccc(N2CCN(CCNc3nc(-c4ccccn4)nc4sccc34)CC2)cc1 1875339131 AGBHYVPZLBHFOC-UHFFFAOYSA-N 416.554 3.987 0 50 HHAA O=C(c1coc(OCC(F)(F)F)n1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822842 RMQJUTVWJXOKJE-UHFFFAOYSA-N 404.772 3.953 0 50 HHAA CNc1cc(Cl)ccc1C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1cc(Cl)no1)C2 2325825541 UMLVTMRFSRBVDI-STQMWFEESA-N 423.300 3.542 0 50 HHAA CCCCN(C(=O)C1[C@@H]2CN(CC(F)(F)F)C[C@@H]12)C1CC(C)(C)NC(C)(C)C1 2325827461 GTIPJAIYOWRBJG-HZPDHXFCSA-N 403.533 3.664 0 50 HHAA COc1ncc(-c2nc([C@H](OC)C3CC3)nn2[C@H]2CCc3c(F)cccc32)nc1C 2325872898 RCGIYTKHDFYOJQ-RBUKOAKNSA-N 409.465 3.824 0 50 HHAA COc1cnccc1-c1ccc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)cc1 2356165774 NSDRTIMXGRYHII-NRFANRHFSA-N 403.482 3.974 0 50 HHAA COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)c1OC 644378 YOLZNZVZZJWCSY-LJQANCHMSA-N 411.527 3.752 0 50 HHAA Cc1cc(I)ccc1NC(=S)NC(=O)c1ccccc1F 724532 WFUIBORKYSNQIK-UHFFFAOYSA-N 414.243 3.866 0 50 HHAA COc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 811217 GEUIPBZWYNKHLM-HXUWFJFHSA-N 420.490 3.852 0 50 HHAA C[C@@H](NC(=O)c1cccc(I)c1)c1ccc2c(c1)OCCO2 995548 SZOSRKGUNCQBDO-LLVKDONJSA-N 409.223 3.553 0 50 HHAA COc1cc(/C=C/C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc(OC)c1OC 1129632 ORTSGKDZYRPQHC-VOTSOKGWSA-N 416.499 3.976 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccccc3F)CC2)O1)C1CCCCC1 11788900 CFFPIEXJFCQUIG-SFHVURJKSA-N 402.510 3.676 0 50 HHAA COc1ccc(-c2nc3ncc4c(=O)n(Cc5ccccc5Cl)ccc4n3n2)cc1 13693428 RTAQTELAGRTULL-UHFFFAOYSA-N 417.856 3.817 0 50 HHAA COC(=O)[C@@H]1C[C@@H](NC(=O)CCc2ccc(C)cc2)CN1Cc1cccc(Cl)c1 14990549 XMOUJFKKJUGTHO-RTWAWAEBSA-N 414.933 3.513 0 50 HHAA COc1cccc(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)O)sc3c2CCC3)c1 17090650 IKQCAOMADFKYRZ-LBPRGKRZSA-N 416.499 3.937 0 50 HHAA O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc(-c2ccccc2)on1 21807477 ZQCUHUPADKNKDY-HXUWFJFHSA-N 411.889 3.798 0 50 HHAA Cc1cccc(CN[C@@H]2CCc3c(sc4ncn(Cc5ccccn5)c(=O)c34)C2)c1 23340255 OBRHWHZYTQMBCR-GOSISDBHSA-N 416.550 3.857 0 50 HHAA COC(=O)CCC/C=C\C[C@H]1[C@H](O)C[C@H](F)[C@@H]1/C=C/[C@H](O)C1Cc2ccccc2C1 27645822 SUQUNXDCROKALM-NAKABCMLSA-N 416.533 3.943 0 50 HHAA in-vitro Cc1nn(C)cc1[C@@H](C)NC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 39461406 QPZQNCUZKRYCRZ-GOSISDBHSA-N 402.542 3.575 0 50 HHAA Cc1nc(N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc(C(F)(F)F)n1 169776877 YIIHVSJCLBDYEQ-UHFFFAOYSA-N 402.779 3.559 0 50 HHAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccccc2CC)CC1 170623955 QTXCTYGCXJYGSX-UHFFFAOYSA-N 408.951 3.812 0 50 HHAA COCCc1ccc(OS(=O)(=O)c2cccc3cncc(Br)c23)cc1 225391574 QLZOMKWLSPTUQG-UHFFFAOYSA-N 422.300 3.954 0 50 HHAA CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 229577115 KWNJDAAJXUHYPI-HSALFYBXSA-N 411.512 3.850 0 50 HHAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2)C1 239321992 IZWKUHPDJRUMEN-JRWQKIPDSA-N 418.603 3.908 0 50 HHAA CC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)C1 252488172 IMMNJJIRLJKBPZ-GOSISDBHSA-N 418.497 3.700 0 50 HHAA CCOC(=O)c1ccnc(-c2ccccc2)c1NC(=O)Cn1ncc2ccccc21 253411875 VOSZVCIDJWKIDK-UHFFFAOYSA-N 400.438 3.914 0 50 HHAA CCN(C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)C1CCOCC1 426406350 XACOSOCAENBHOE-UHFFFAOYSA-N 403.548 3.552 0 50 HHAA CC1CCN(C(=O)COc2ccccc2CNCc2ccc3nsnc3c2)CC1 952982395 GYENKSUWKKOCRM-UHFFFAOYSA-N 410.543 3.618 0 50 HHAA Cc1ncc(C(=O)Nc2cc(NC(=O)CN(C)C)ccc2C)c(-c2ccccc2)n1 952985689 XQLZDQPXLPESAV-UHFFFAOYSA-N 403.486 3.513 0 50 HHAA C[C@H](NC(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(NC(N)=O)cc1 1219327736 VWIAKCFCXQQHMD-ZDUSSCGKSA-N 422.464 3.873 0 50 HHAA C[C@@]12CC3CC(OCCNc4nccc(N5CCC[C@@H](O)C5)n4)(C1)C[C@](C)(C3)C2 1529168138 WUTLOUZLPGHMBO-HIZLFMQNSA-N 400.567 3.615 0 50 HHAA O=C(N[C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C(F)(F)c1cnc(O)nc1O 1875257258 FEUNBDSSKWDIBP-NOZJJQNGSA-N 418.227 3.739 0 50 HHAA CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)NC[C@@H]1CC(=O)Nc2ccccc21 1875263323 CLDLYPKAJPEMDH-LAUBAEHRSA-N 413.493 3.653 0 50 HHAA Cc1cnn(C2CCN(C(=O)C(=O)Nc3ccc4nc(C(C)C)sc4c3)CC2)c1 2325728100 ZUIZCTGELYCDDZ-UHFFFAOYSA-N 411.531 3.727 0 50 HHAA COc1ccc(CN2CCN=C2NCc2ccc3cc(OC)ccc3c2)c(OC)c1 2325864744 YURBBNRWLLGZAU-UHFFFAOYSA-N 405.498 3.827 0 50 HHAA Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(Cl)cc1Cl 1005905 ZRAYYMJGBYLMCT-UHFFFAOYSA-N 400.316 3.976 0 50 HHAA COc1cc([C@H]2CO[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC 2558174 DUAYHYGJMLZLCE-WIYYLYMNSA-N 406.431 3.525 0 50 HHAA in-vitro Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2985789 WXCGDRLGRUNVDD-UHFFFAOYSA-N 404.557 3.900 0 50 HHAA O=C(c1ccccc1)c1ccc2c(c1)N=Cc1c([nH]c(=O)n(-c3ccccc3)c1=O)N2 3194410 HNQBCXXZVHAMOR-UHFFFAOYSA-N 408.417 3.564 0 50 HHAA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc(C(N)=O)c1C 5473815 XWVQNALWHUMSAL-UHFFFAOYSA-N 401.271 3.891 0 50 HHAA Cc1nc(C)n(CC(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)n1 11703804 RFJQUTONJZTSKC-FQEVSTJZSA-N 420.488 3.823 0 50 HHAA COc1ccccc1CNc1ncnc2sc(C(=O)NC[C@H]3CCCO3)c(C)c12 12148779 GZPYCFKRFSKWNT-OAHLLOKOSA-N 412.515 3.529 0 50 HHAA CN(CCC1CCOCC1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12386219 FQTSBLLNEXYRFZ-UHFFFAOYSA-N 410.518 3.544 0 50 HHAA O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1 14733159 NPFNIZVWTIHQMC-VQTJNVASSA-N 411.521 3.797 0 50 HHAA CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1ccc(OC)cc1)CC2 14747701 MSQHNDJAGWVIAF-UHFFFAOYSA-N 405.498 3.675 0 50 HHAA O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2 14883767 QRDIQLYNMPOJHY-SFHVURJKSA-N 402.450 3.674 0 50 HHAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1Br 21983171 HHVXLILNSZSXPW-UHFFFAOYSA-N 408.292 3.810 0 50 HHAA in-vitro COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 22229405 XBEVPQNBXIAGSP-UHFFFAOYSA-N 402.560 3.634 0 50 HHAA O=C1NCCC[C@H]1C(=O)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67783703 ZZMRNJKHXSVAIL-QGZVFWFLSA-N 422.506 3.521 0 50 HHAA O=C(Nc1ccc(C(O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F 71767107 SGUBFARGFHXYIR-UHFFFAOYSA-N 406.282 3.770 0 50 HHAA CCCN1CCC[C@H]1CNC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 253425774 DTZVAFOCMYEDCG-FQEVSTJZSA-N 410.518 3.700 0 50 HHAA CCOc1ccccc1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1 328606703 SMGFTWHDKCQIPF-SQJMNOBHSA-N 418.541 3.639 0 50 HHAA C[C@@H]1CN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CCN1CC(C)(C)O 444876791 SGPTVVBATCCABF-OAHLLOKOSA-N 418.925 3.836 0 50 HHAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1506427563 KXDKOYPQDYGCLG-HNNXBMFYSA-N 410.424 3.665 0 50 HHAA O=C(CN(Cc1ccco1)c1cccc(Cl)c1)N[C@H](C(=O)O)c1ccsc1 2325814933 JAUCHWIONREVRP-SFHVURJKSA-N 404.875 3.943 0 50 HHAA COC(=O)c1ccccc1NC(=S)NC(=O)c1cc(Cl)c(OC)c(Cl)c1 1853362 INCMZBBAZAFNPU-UHFFFAOYSA-N 413.282 3.915 0 50 HHAA CCCCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 2182603 BNKMBJHZBRWHNY-UHFFFAOYSA-N 402.560 3.993 0 50 HHAA COCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2c1Cl 2997187 IWXZBXQMDGTYIZ-UHFFFAOYSA-N 412.799 3.753 0 50 HHAA Cc1cccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 5012911 ROLYGHOFXWZLFT-IAGOWNOFSA-N 411.310 3.914 0 50 HHAA Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2cccnc2)n1C 9426907 BXDMWPDDPYHCDK-UHFFFAOYSA-N 418.320 3.679 0 50 HHAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)c1 11934453 YMINTTSJVVTJNL-OAQYLSRUSA-N 407.963 3.963 0 50 HHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(Cc2c(C)nn(C)c2Cl)C1 11957631 AGFAQAJHGMIHIO-QFIPXVFZSA-N 419.953 3.996 0 50 HHAA COCc1cc(CN(C)C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)n[nH]1 12305517 RZLSGOSDYDCXLT-UHFFFAOYSA-N 404.470 3.755 0 50 HHAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2CCCC2)CC1 12372877 PAGMSPZHVABWMM-UHFFFAOYSA-N 410.518 3.644 0 50 HHAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCCc2ccccn2)c1 12449542 DRKCSNPDEVPRGS-UHFFFAOYSA-N 423.557 3.849 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cnn(C(C)C)c2)C1 14976188 FNVOZPNNTGPXKU-QFIPXVFZSA-N 419.472 3.770 0 50 HHAA Cc1c(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cnn1C 15074333 YSJRSZFBYVEBFZ-OAQYLSRUSA-N 405.502 3.909 0 50 HHAA CCN1CCN(CC(=O)NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)CC1 23358143 DNXOMOBLRWGQAS-UHFFFAOYSA-N 408.521 3.536 0 50 HHAA CC(C)n1cc(-c2cc(C(=O)N3CCCN(C)C[C@@H]3C)c3cc(F)ccc3n2)cn1 63868711 QCGZCGJMNUWYJS-INIZCTEOSA-N 409.509 3.985 0 50 HHAA Cc1ocnc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCCN(C2CCCC2)C1 95499739 RNQDULZYYJXOJV-HXUWFJFHSA-N 402.583 3.566 0 50 HHAA O=C(O[C@H]1CCN(CCc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 96026672 GPQNKPHQEHQXEP-DEOSSOPVSA-N 401.506 3.783 0 50 HHAA O=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2 169764090 GLLNJHFFVIIALL-UHFFFAOYSA-N 419.312 3.589 0 50 HHAA COc1ccc([C@H](C)NC(=O)c2nnn(Cc3ccccc3)c2-n2cccc2)cc1 206641688 ACSPNCBJNYSYFR-KRWDZBQOSA-N 401.470 3.617 0 50 HHAA COC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)cc1 242701673 WIYNFUFUYYASSK-MPJJRAAHSA-N 409.530 3.900 0 50 HHAA Cc1noc(-c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)c4cccs4)C3)o2)c1C 1506410924 GJCAIYLQVICWRV-CQSZACIVSA-N 420.512 3.897 0 50 HHAA O=S(=O)(c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1)N1CC[C@H]1c1ccc(F)cc1 1506421943 LUBRTBXYOCWVQL-ZDUSSCGKSA-N 415.368 3.963 0 50 HHAA CCCCn1nc(COc2ccccc2OC)nc1[C@@H]1CCCN(C(C)=O)CC1 1772818728 XJBFNPKLXUMPTH-GOSISDBHSA-N 400.523 3.782 0 50 HHAA O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc2c(O)ncnc2c1 1875359452 DNNIIZJTNBWNMG-UHFFFAOYSA-N 404.401 3.506 0 50 HHAA CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 639878 ZNALTCQPBVJUKJ-LBPRGKRZSA-N 411.321 3.778 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c1 1180578 WNZDBUBAODIDHW-WMZOPIPTSA-N 420.465 3.802 0 50 HHAA O=C(CNC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(Cl)c(Cl)c1 2751266 JPLCRVGOBUMHGV-UHFFFAOYSA-N 400.645 3.803 0 50 HHAA Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)[C@H]2CCCO2)c1C(=O)OC(C)C 2763265 QFTYTWMUCHWFFZ-OAHLLOKOSA-N 416.499 3.992 0 50 HHAA Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1nn(C)c(C)c1Br 2768829 HCIIZSVGHRSEQH-UHFFFAOYSA-N 420.286 3.744 0 50 HHAA Cc1ccc(OCCN2C(=O)S/C(=C\c3ccccc3OCC(=O)O)C2=O)cc1 2820753 ALGBAHLEEIEQBJ-PDGQHHTCSA-N 413.451 3.574 0 50 HHAA CCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1C 2884881 OUSWIHXJTFDVHW-UHFFFAOYSA-N 417.268 3.799 0 50 HHAA Cc1nn2c(-c3cccc(NC(=O)CN4CCCCC4)c3)nnc2c2ccccc12 4281833 QSMKZRHDXUXYTB-UHFFFAOYSA-N 400.486 3.677 0 50 HHAA O=C1c2ccc(-c3nc4ccc(Cl)cc4c(=O)o3)cc2C(=O)N1Cc1cccnc1 9096564 OYBZCHXYXCRAGQ-UHFFFAOYSA-N 417.808 3.700 0 50 HHAA O=C1CC[C@@](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)(Cc2ccccc2)N1 11871101 OUMLVUOPIHMDGG-BKMJKUGQSA-N 418.537 3.780 0 50 HHAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2c(C)cc(C)[nH]c2=O)cc1 11878822 YEJGJNFOLGZXBF-IBGZPJMESA-N 404.514 3.929 0 50 HHAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 12094216 SNASIBOVFYUCJZ-IBGZPJMESA-N 423.575 3.597 0 50 HHAA CN(C(=O)C1CCOCC1)[C@@H](Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 12282115 WIQCWBVDOQEJKA-DEOSSOPVSA-N 424.585 3.832 0 50 HHAA Fc1ccc(-n2cc(CNC[C@@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 14964052 CHWFGWHKMLVJFV-GOSISDBHSA-N 401.869 3.837 0 50 HHAA CC(=O)N1CCN(c2ncccc2CNCc2ccc(-c3ccccc3)cc2)CC1 15066028 WOVDJJPYKXVHMN-UHFFFAOYSA-N 400.526 3.707 0 50 HHAA Cc1cc(=O)[nH]c(CCNC2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)n1 20255989 QSYXSBCQDNBTFT-UHFFFAOYSA-N 406.505 3.686 0 50 HHAA Cc1nc[nH]c1CN1CCc2c(cnc(C)c2-c2noc(-c3cccc(F)c3)n2)C1 23192350 CDSRRNDBPABQAJ-UHFFFAOYSA-N 404.449 3.836 0 50 HHAA COC(=O)c1cc(O)cc(OC)c1Oc1c(Cl)c(C)c(Cl)c(O)c1C(=O)O 31158799 MYFFDMMUGIQJQM-UHFFFAOYSA-N 417.197 3.999 0 50 HHAA biogenic,in-vitro COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cccc(Cl)c3)C2)c(OC)c1 170612576 ODMRTXLQISHVTQ-GOSISDBHSA-N 416.861 3.900 0 50 HHAA CCO[C@H]1C[C@@H](N(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)C1(C)C 170636660 KESNTZGRHVTQLD-CABCVRRESA-N 417.575 3.768 0 50 HHAA O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccccc1)N1CCc2ccccc21 222038674 RGWWRNWYVJKABT-NYVOZVTQSA-N 410.539 3.598 0 50 HHAA COc1cc(Br)c(NC(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)cc1OC 230218434 MTGUTEKVBREEDI-AMFBXLIHSA-N 401.301 3.647 0 50 HHAA CC[C@@H](C)[C@H](NC(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)c1nc2ccccc2[nH]1 252478257 AGYDWFINBUOKQY-ODXCJYRJSA-N 405.506 3.821 0 50 HHAA Cn1cc(C(=N)O)c([C@@H]2CCCN(C(=O)c3cc(Cc4ccccc4)ccc3O)C2)n1 328605965 PXYOHRBOAZGMDJ-GOSISDBHSA-N 418.497 3.620 0 50 HHAA O=S(=O)(c1ccc(F)cc1Cl)N(CCOc1ccccc1)C[C@H]1CCCO1 826572477 XOFNSVBVDBRNQZ-QGZVFWFLSA-N 413.898 3.728 0 50 HHAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N(C)Cc1n[nH]c2c1CCCCC2 1506400763 CGBYUDPEBZEFQO-UHFFFAOYSA-N 406.533 3.524 0 50 HHAA Cc1cccc(-c2ccccc2C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c1 1857736022 MNQCUTQUNOYLNL-FBLLAGFSSA-N 404.510 3.860 0 50 HHAA O=C(NCc1noc(C2CCC2)n1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857739745 QPMOVSIFBMGYDU-ZDUSSCGKSA-N 415.881 3.665 0 50 HHAA C=CC(=O)N[C@@H]1CN(C(=O)CCCc2cc(C)sc2C)CC[C@@H]1C(F)(F)F 1875386836 ZYDGDYJKHIQETJ-JKSUJKDBSA-N 402.482 3.769 0 50 HHAA COC(=O)c1ccc2ncnc(N[C@@H]3COc4ccc(Br)cc4C3)c2c1 2325839134 JYSSVLQTLXQVDU-AWEZNQCLSA-N 414.259 3.595 0 50 HHAA CC(C)c1nc(CN(C)C(=O)c2cc3c(s2)C2(CCNCC2)OCC3)cs1 2356162810 LASICWALZJTHRK-UHFFFAOYSA-N 405.589 3.752 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)nc(C)n1 671454 NXKFJXUBTADLSF-JXMROGBWSA-N 414.512 3.608 0 50 HHAA CC1=C(C(=O)OC(C)C)C(c2ccc3c(c2)OCO3)C(C(=O)OC(C)C)=C(C)N1 852210 UIPJYZRXOKTNKE-UHFFFAOYSA-N 401.459 3.553 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1 1003947 HVPPKFFSGWOYCW-UHFFFAOYSA-N 411.527 3.885 0 50 HHAA CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2ccccc2OC)CC1 4690200 SSCJYBBWLJSXSP-UHFFFAOYSA-N 410.514 3.621 0 50 HHAA COC(=O)[C@H](CSCc1ccccc1)NC(=O)CSc1nc2ccccc2o1 4718107 RXBFNJOIGJBWKP-INIZCTEOSA-N 416.524 3.511 0 50 HHAA O=C(Nc1ccccc1Br)c1cnc2sc3c(n2c1=O)CCCC3 10327351 OQJNMXFXOBVVSK-UHFFFAOYSA-N 404.289 3.650 0 50 HHAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)CCn3c(=O)[nH]c4ccccc43)C2)cc1 11665299 JKEHYPYOAGMVPJ-FQEVSTJZSA-N 406.530 3.946 0 50 HHAA O=C(CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1)N[C@@H](c1ccccn1)C(F)(F)F 11788624 YXDYLLUIWFCAMY-VQTJNVASSA-N 423.410 3.612 0 50 HHAA O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1cn(CCc2ccccc2)nn1 12223817 KEXOYPKQFSUMIZ-XMMPIXPASA-N 417.557 3.868 0 50 HHAA COc1ccc(CC2(CO)CCN(Cc3cnn(-c4ccccc4OC)c3)CC2)cc1 12463438 VAEUHIIPPKZVPF-UHFFFAOYSA-N 421.541 3.707 0 50 HHAA Cc1cccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)n1 12713025 FIFRIBHZBIXBPS-LJQANCHMSA-N 421.526 3.850 0 50 HHAA CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3ccccc3OC3CCCC3)C2)CC1 14963146 VISQSUONZIIZHG-NRFANRHFSA-N 413.606 3.774 0 50 HHAA O=C(NC[C@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1)c1cnccn1 14964241 CZLDAFRETSQCJM-QGZVFWFLSA-N 415.371 3.776 0 50 HHAA Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C(N)=O)cc1 17081940 QCQKJJPWRYUPBD-LSDHHAIUSA-N 400.500 3.960 0 50 HHAA CC[C@H]1CN(C(=O)C[C@H]2C(=O)Nc3cc(OC)ccc32)Cc2ccc(Cl)cc2O1 102214008 OIBFMPCGPQUXFE-MAUKXSAKSA-N 414.889 3.974 0 50 HHAA Cc1cc(C(=O)N[C@@H](C)c2cncs2)cc(S(=O)(=O)N2CCC(C)CC2)c1C 225578572 RBJDKSDJSNXDKN-INIZCTEOSA-N 421.588 3.672 0 50 HHAA Cc1cccc(C[C@@H](CNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C(=O)O)c1 237665948 AXJWBPLCGBITTM-KRWDZBQOSA-N 412.873 3.906 0 50 HHAA Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)CC2)c(C)c1 239173615 OHIHFIOKVVHIOU-HEQIONGGSA-N 418.537 3.854 0 50 HHAA CC(C)Cc1sc(-n2cccc2)nc1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 253400327 DVYBWYTVWKRFSC-SJORKVTESA-N 422.554 3.554 0 50 HHAA biogenic COC(=O)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 434316298 MGUUWRVKIKTQJC-INIZCTEOSA-N 401.825 3.556 0 50 HHAA COc1ccc2cc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)sc(=O)c2c1OC 824519464 JPQYMKOGGSXDME-NSHDSACASA-N 409.467 3.646 0 50 HHAA Cc1cc(C(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)cc(Cl)n1 1304265021 RTHLHKHQBFMMGL-GOSISDBHSA-N 409.711 3.930 0 50 HHAA Cc1sc(-c2ccno2)cc1S(=O)(=O)NC[C@H]1CCN(c2ccccc2F)C1 1506403558 CFLHQBVGLRYGHP-CQSZACIVSA-N 421.519 3.655 0 50 HHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(-n4cccn4)ccc3Cl)C1)CC2 1704305995 YTXXTCGWNHVRMW-JOCHJYFZSA-N 407.905 3.744 0 50 HHAA COc1ccc(O)c(-c2ccc3c(O)nc(=O)n(Cc4ccccc4Cl)c3n2)c1 1776111593 WZGNFBWAEGTAFT-UHFFFAOYSA-N 409.829 3.580 0 50 HHAA COc1cccc(-c2ncc(-c3nccn3CC(C)(C)N3CCN(C)CC3)s2)c1 1857691038 SQNZKPYDCKIXPS-UHFFFAOYSA-N 411.575 3.708 0 50 HHAA CC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)CN(C2CCN(c3ccccc3Cl)CC2)CCO1 1857707796 KRYHJOCKGCVTAX-NPHXMPSESA-N 417.981 3.553 0 50 HHAA C=CC(=O)N1CCCc2cc(C(=O)N[C@H](c3nc(C)cs3)C(F)(F)F)ccc21 1875372183 YPJOGYQOIDTCIV-MRXNPFEDSA-N 409.433 3.950 0 50 HHAA CC(C)=CCN1CCC2(CC[C@H](CNC(=O)c3ccc(O)nc3C(C)C)O2)CC1 2100556173 GZMAVNLKNSIVMU-GOSISDBHSA-N 401.551 3.620 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(c3nc(N4CCCC4)nc(C)c3C)C2)[C@@H]2CCCC(=O)N12 2356147057 GCLLIDWSAZNGMA-WOZUAGRISA-N 411.594 3.700 0 50 HHAA CC1=NN(C(=O)c2ccc(COc3ccc(Cl)cc3)o2)[C@](O)(C(F)(F)F)C1 653287 ULGUSPCLDUIBGD-MRXNPFEDSA-N 402.756 3.985 0 50 HHAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 670668 TXWKLBBSOMDQHQ-UHFFFAOYSA-N 408.479 3.699 0 50 HHAA Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1C 944451 DBFLCQIXGTTZLI-UHFFFAOYSA-N 409.349 3.577 0 50 HHAA CCOC(=O)c1c(NC(=O)C(F)(F)F)sc(C(=O)Nc2ccccc2)c1C 1085772 GAMAXBNWVMAFHC-UHFFFAOYSA-N 400.378 3.986 0 50 HHAA COc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 1133648 XKCAHHDEPGZROG-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA Cc1nn([C@H](C)c2nnc(S)n2-c2cnn(Cc3ccccc3)c2)c(C)c1Cl 2808246 QHJBXQHQDWYDJB-CQSZACIVSA-N 413.938 3.877 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)Nc2nc(C)nn2[C@@H]1c1ccc(OC)c(OC)c1 9013077 FAQMQPARNPTGGG-OAQYLSRUSA-N 420.469 3.593 0 50 HHAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 9906325 SUKLLAHPARSOFA-UHFFFAOYSA-N 422.312 3.784 0 50 HHAA O=C(CCC1CCN(C(=O)c2ccsc2)CC1)Nc1ccc2c(c1)OCCO2 12049923 CYEBVKXSFSLQAN-UHFFFAOYSA-N 400.500 3.790 0 50 HHAA Cc1nc2cc(OCc3cc(C(=O)N[C@H](C)c4cn(C)nc4C)no3)ccc2s1 12297901 JVBXUXJRWKIAAT-LLVKDONJSA-N 411.487 3.705 0 50 HHAA Cc1nc(CN(C)Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)c(=O)[nH]2)cs1 14995518 DZNFIYMNHSDBBA-NRFANRHFSA-N 422.554 3.579 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 17090769 DGUFXYSKIBSHAD-YUELXQCFSA-N 416.543 3.761 0 50 HHAA CN(Cc1ccno1)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 19338671 YSISYRLDBPBZLT-UHFFFAOYSA-N 400.866 3.772 0 50 HHAA COc1ccccc1Cn1ccc2c(nnc3c(-c4ccc(F)cc4)c(C)nn32)c1=O 40391888 XDBFSSRESYSQBJ-UHFFFAOYSA-N 415.428 3.611 0 50 HHAA CCCCOc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc1 169779726 ZSPCAMKMNYIKFX-UHFFFAOYSA-N 420.513 3.759 0 50 HHAA O=C(NCCc1cc(F)cc2c1OCOC2)C1(c2ccccc2Cl)CCOCC1 170623013 FSTPGLASJQXGCB-UHFFFAOYSA-N 419.880 3.753 0 50 HHAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 170624300 ZMAAWEUOIJRTAO-CTOYSFNJSA-N 408.498 3.795 0 50 HHAA COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(N(C)C)cc3)n2)cc1OC 263615063 AJPNBZFZUUGVGF-GOSISDBHSA-N 422.485 3.797 0 50 HHAA CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 390832683 UPOBRNGMVVFUBJ-JTSKRJEESA-N 410.489 3.929 0 50 HHAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)c1 822376060 JSYWZJNEUWWNPW-JRHJTHGVSA-N 419.529 3.728 0 50 HHAA CC[C@@H](NC(=O)C1(N2CCCCC2)CCCCC1)c1ccc(S(C)(=O)=O)cc1 952981261 SGKOJBHVTQEXSW-HXUWFJFHSA-N 406.592 3.846 0 50 HHAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)c2nc4c(s2)CCCC4)C3)cc1 1506404982 WSCHFABBMYJQIS-UHFFFAOYSA-N 406.511 3.567 0 50 HHAA Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@H]2CNC[C@@]2(CCc2ccccc2)C1 1772703377 MUCUDGMQKUSVAV-GJZUVCINSA-N 415.537 3.873 0 50 HHAA Cn1c(SCc2ccc3c(c2)OCO3)nnc1SCc1ccc2c(c1)OCO2 2325718207 OFYJMZQIXXHIEL-UHFFFAOYSA-N 415.496 3.857 0 50 HHAA CSc1ccc(Cl)c(C[C@@H](NC(=O)C23CC4C[C@@H](C2)C(=O)[C@@H](C4)C3)C(=O)O)c1 2325839433 SYNCIUGUHZDUSM-WXNQMPGISA-N 421.946 3.569 0 50 HHAA C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 1125588 YUOBYSBUSXEGJC-HIFRSBDPSA-N 408.955 3.835 0 50 HHAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1164797 ABRFANTVSMDMKJ-HXUWFJFHSA-N 422.485 3.644 0 50 HHAA O=C(N(c1cccc(C(F)(F)F)c1)[C@H]1C=CS(=O)(=O)C1)C(Cl)(Cl)Cl 1217700 FEXIJZDWIGCIMR-JTQLQIEISA-N 422.639 3.719 0 50 HHAA CC[C@H](C)c1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 2859198 DJYZBIARJIRAKQ-OXJNMPFZSA-N 414.527 3.827 0 50 HHAA Cc1cnccc1CN(C)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 11934768 KBQCXDXXVKGXFL-UHFFFAOYSA-N 403.486 3.631 0 50 HHAA Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3nc(-c4cccs4)oc3C)C2)no1 12000794 UXDMTNOZUKAROV-HNNXBMFYSA-N 400.504 3.650 0 50 HHAA O=C(NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1)c1cccc2nccnc12 12031059 DBHOPMWKTJGMGY-XMMPIXPASA-N 424.504 3.996 0 50 HHAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@]1(Cc2ccco2)CCC(=O)N1 12098640 ZNXPLVPMXFJKBW-FQEVSTJZSA-N 408.420 3.929 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCc2scnc2C)C1 12208220 GCUZPNOFWXEVIT-QFIPXVFZSA-N 418.534 3.938 0 50 HHAA CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2)CC1 12381877 JFSSOPNDPFXDND-UHFFFAOYSA-N 415.921 3.662 0 50 HHAA Cc1ccc(CN2CCC(CN(C)Cc3ccc(Sc4nncn4C)o3)CC2)o1 12704510 RRGKHEBQSOEDAJ-UHFFFAOYSA-N 415.563 3.805 0 50 HHAA CCN1C(=O)N(CCC(C)C)C2(CCN(C/C=C/c3ccccc3OC)CC2)C1=O 14750104 KXUQZBMLGDZTNX-CSKARUKUSA-N 413.562 3.873 0 50 HHAA Cc1ccc2c(C)nc(Nc3nc(CSc4nnc(C)s4)cc(=O)[nH]3)nc2c1 15978600 OCULECIKOMLOOC-UHFFFAOYSA-N 411.516 3.526 0 50 HHAA COc1cc(-n2nnc(C(=O)Nc3ccccc3C(F)(F)F)c2N)ccc1Cl 16648615 PZGHSNUDROICIQ-UHFFFAOYSA-N 411.771 3.783 0 50 HHAA Cn1cc(CC(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c2ccccc21 109336973 QVDJGMRIMUEMQA-UHFFFAOYSA-N 402.542 3.892 0 50 HHAA COc1cc(OC)cc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1 169776433 DYXAQOHDBZGOED-SFHVURJKSA-N 424.476 3.632 0 50 HHAA Cc1ccc(C(=O)N2CCC(n3cc(-c4nc(-c5ccccc5)no4)nn3)CC2)s1 169777538 XMAPZJPOZBKZQA-UHFFFAOYSA-N 420.498 3.842 0 50 HHAA O=C(c1ccc(N2CCOC2=O)cc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 170623581 YXYHOCACLGOTCZ-HXUWFJFHSA-N 414.889 3.882 0 50 HHAA O=C(Oc1cccc2cccnc12)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 245312349 UOIKXLAFOUYULJ-ZCLUNYJNSA-N 410.429 3.766 0 50 HHAA COCCNc1nc2cc(C(=O)NC[C@@]3(c4ccccc4)CC3(C)C)ccc2n1C 824444979 INYUUZHYQJQNHQ-XMMPIXPASA-N 406.530 3.729 0 50 HHAA Cc1cccc(-c2ncc(CN3CCN(c4nnc(C(F)(F)F)s4)CC3)cn2)c1 825224785 OCAWXPIRPWCCOT-UHFFFAOYSA-N 420.464 3.645 0 50 HHAA O[C@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@@H]1Cc1ccc2ccccc2n1 1616070423 IHNCKEZUSDRZFY-DFBJGRDBSA-N 405.517 3.878 0 50 HHAA Cc1cnc(CN(C)C(=O)C[C@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)[nH]1 1857695422 IZQINDXGPKGSKP-CQSZACIVSA-N 401.898 3.778 0 50 HHAA Cc1nsc2ncc(C(=O)N3CCC[C@H](NC(=O)CCCc4ccccc4)C3)cc12 1875256355 PUOSFPJZUVHOID-IBGZPJMESA-N 422.554 3.743 0 50 HHAA CC[C@@H](NC(=O)NCc1nn(C)c2ccccc12)[C@@H](O)c1ccc(C(F)(F)F)cc1 1875260093 FQJFTRARHBOCER-APWZRJJASA-N 420.435 3.904 0 50 HHAA COCCN1CCC[C@]2(CCCN2Cc2ccc(OCCc3ccccc3)cc2)C1=O 2356166736 LRGZGZFDXWJYJK-SANMLTNESA-N 422.569 3.912 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)cc1 708971 ICKUVOQMQKNJFV-KRWDZBQOSA-N 416.275 3.724 0 50 HHAA Cc1c(N(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(-c2ccccc2)n1C 1013260 NXHLMWHDEXVNDU-UHFFFAOYSA-N 413.543 3.607 0 50 HHAA O=C(Nc1ccccc1C(=O)N[C@@H]1CCCCNC1=O)c1cc2ccccc2s1 1044528 TUSCYCAIGRVBMD-QGZVFWFLSA-N 407.495 3.552 0 50 HHAA in-vitro COc1ccc(OC)c([C@@H]2CC(=O)c3c([nH]c(C(=O)OCCOC(C)C)c3C)C2)c1 2469458 YINDWEZTFOYUIS-HNNXBMFYSA-N 415.486 3.835 0 50 HHAA CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccc(C)cc2)cc1 2948301 YLYVNQKCLNPEAD-UHFFFAOYSA-N 404.532 3.504 0 50 HHAA C[C@@H]1CCc2c(sc3nc(SCC(=O)N(C)C)n(-c4ccccc4)c(=O)c23)C1 4313373 YRWYTJIUAZLNHW-CYBMUJFWSA-N 413.568 3.752 0 50 HHAA COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2I)c1 4810629 QZFQNBXMSKGTOT-NSHDSACASA-N 411.239 3.799 0 50 HHAA CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCCC3)sc3c2CCC3)cc1 4845556 ICIOCDGZWWHDTR-UHFFFAOYSA-N 413.543 3.922 0 50 HHAA COCCNC(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 4952900 FFYQWEGNHYCCDP-RYUDHWBXSA-N 402.804 3.573 0 50 HHAA Cc1c(C)n(CCCO)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 9135046 VVSYMZZQZOCSFI-UHFFFAOYSA-N 424.555 3.980 0 50 HHAA O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697535 PONWRIZVZKSBRP-UHFFFAOYSA-N 409.881 3.623 0 50 HHAA COc1ccc2[nH]c(CCN(C)C(=O)c3cc(Cc4ccc(F)cc4)no3)nc2c1 11841297 UFZLQGKBCAZKOV-UHFFFAOYSA-N 408.433 3.604 0 50 HHAA COc1ccc(CNCc2ccc(C)s2)cc1OC[C@H](O)CN1CCCCC1 12203817 ZTJGEFFPYJNTPI-LJQANCHMSA-N 404.576 3.581 0 50 HHAA CCc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)Nc2ccc(SC)cc2)n(C)n1 14988597 RRACKKSRDZRORR-SFHVURJKSA-N 412.559 3.585 0 50 HHAA Cc1ccc(OCc2cc(C(=O)NCCN3CCC[C@H](c4ccccc4)C3)no2)cn1 15069333 CKZVSHYEGODUDV-FQEVSTJZSA-N 420.513 3.566 0 50 HHAA O=S(=O)(C[C@H](CN1CCCCC1)N1CCCCC1)c1ccc2ccccc2c1 20060025 GJUQNXFCNZTWKL-QFIPXVFZSA-N 400.588 3.954 0 50 HHAA COc1cc(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc(Cl)c1O 23374828 DHYXVKWOXQEXMQ-FQEVSTJZSA-N 415.965 3.841 0 50 HHAA Cc1cccc(OCCN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c1C 92066475 JJOOBVVFWBPXPT-OAQYLSRUSA-N 400.563 3.566 0 50 HHAA C[C@H](NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccccc1 239128748 KSSYLYDKBUDIEJ-DIHZGPDVSA-N 412.489 3.735 0 50 HHAA Cc1ccc(C)n1CCC(=O)NCC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 253410220 MZPRXARMMDHMTF-RTBURBONSA-N 422.566 3.643 0 50 HHAA biogenic O=S1(=O)N=C(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c2ccccc21 302074114 HZYVXQOBEACYRK-UHFFFAOYSA-N 424.353 3.697 0 50 HHAA CCc1oc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)cc1CN1CCCC1 823570769 PIAQHBSOVZQEMH-HXUWFJFHSA-N 413.537 3.971 0 50 HHAA O=C(c1n[nH]c2c1COc1ccccc1-2)N1CCC(O)(c2ccc(Cl)cc2)CC1 888105586 VQXWYQMKEUZOAU-UHFFFAOYSA-N 409.873 3.746 0 50 HHAA CCn1ccnc1CNC(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857723308 ZKYRVBTZCHHDER-AWEZNQCLSA-N 401.898 3.621 0 50 HHAA CCc1ncnc(N(C)C[C@@H]2CCN(C(=O)c3[nH]c4ccccc4c3Cl)C2)c1F 1875330329 NZUPSRCPPBXUIB-ZDUSSCGKSA-N 415.900 3.911 0 50 HHAA CC(C)(C)c1cc(NS(=O)(=O)c2cncc(C(F)F)c2)n(-c2ccccn2)n1 2325841953 KTNBHWHHNGRQIT-UHFFFAOYSA-N 407.446 3.698 0 50 HHAA O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N(Cc1ccccc1)C1CC1 2325842985 OPTNRFVRHKYTPY-UHFFFAOYSA-N 420.534 3.970 0 50 HHAA Cn1cnnc1S[C@@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1 921822 FGWXANCJYIKIKW-VQTJNVASSA-N 422.535 3.835 0 50 HHAA COc1ccc(Cl)cc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 935817 LJKFBDKNARMOLV-NSHDSACASA-N 417.918 3.884 0 50 HHAA COC(=O)c1cc(Br)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 942051 NHPDDERZJSIHON-UHFFFAOYSA-N 424.247 3.514 0 50 HHAA biogenic COc1ccc(Cl)cc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1 1219242 QZRORUCKYMMNNB-UHFFFAOYSA-N 422.934 3.556 0 50 HHAA Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(SCC(N)=O)o2)cc1 2460991 LEVYZECFTUHGJX-UHFFFAOYSA-N 422.915 3.714 0 50 HHAA CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)cc2oc1=O 2826509 DZHBTXMMZVAFLP-UHFFFAOYSA-N 412.413 3.998 0 50 HHAA Cc1ccccc1N1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]2CS(=O)(=O)C[C@H]21 4269474 PYBHVKNHDKMSIR-IAGOWNOFSA-N 410.417 3.626 0 50 HHAA CC(C)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1 9198318 RFKFQMUCTFAVLI-UHFFFAOYSA-N 400.460 3.621 0 50 HHAA CN1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)(c2ccccc2)CC1 11954600 VUOVPTGPSWPJRB-QFIPXVFZSA-N 409.549 3.570 0 50 HHAA Cc1nc2cc(NC(=O)[C@@H]3CC34CCN(C(=O)c3ocnc3C)CC4)ccc2s1 12042610 ADNCMPDWHKTSTA-HNNXBMFYSA-N 410.499 3.782 0 50 HHAA O=C1CC[C@H](CCNCc2ccccc2F)N1C[C@@H](c1cccnc1)N1CCCCC1 12056834 CDJVABFBWVRXFK-VWNXMTODSA-N 424.564 3.919 0 50 HHAA Cc1cc(C(=O)NC[C@H]2CCC3(CCN(CC[C@H](C)c4ccccc4)CC3)O2)n(C)n1 12135789 LMWHMDYKNKMUFL-SIKLNZKXSA-N 424.589 3.666 0 50 HHAA COC[C@H](C)NC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C1CC1 12572012 QFRYCIYBICPXSM-LBPRGKRZSA-N 411.531 3.650 0 50 HHAA COc1cccc(-c2cc(CC3(O)CCN(Cc4ccccc4OC)CC3)on2)c1 12594144 UCGUDXVYFBPCHN-UHFFFAOYSA-N 408.498 3.928 0 50 HHAA O=C(c1cn(CCC2CCCCC2)nn1)N1CCC([C@H](O)Cc2ccccc2)CC1 12761731 MRBKEFAFTUSBDD-HSZRJFAPSA-N 410.562 3.704 0 50 HHAA O=S(=O)(C1CC1)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 148469168 VASICDYHZRSWQB-KRWDZBQOSA-N 424.522 3.743 0 50 HHAA C[C@H](Oc1ccccc1)C(=O)NCc1nnc2ccc(-c3ccc(Cl)cc3)nn12 169778492 NYHSIUMCWGOTQL-AWEZNQCLSA-N 407.861 3.528 0 50 HHAA COc1ccccc1CCc1nc(-c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)no1 169781131 ANWCZDQDRNAAAX-HXUWFJFHSA-N 417.469 3.702 0 50 HHAA COc1cc(/C=C/C(=O)N2CC[C@@H](OCc3ccncc3)C2)cc(Cl)c1OC 170627283 UXXOIAHXDHYNCV-REMYHPOOSA-N 402.878 3.583 0 50 HHAA C[C@H](OC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)C(=O)c1ccccc1 239119551 IUTULFBNQIRQSA-CWFSZBLJSA-N 403.434 3.570 0 50 HHAA CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 242288022 YKLJRYBBRRINSG-MNNNFZOSSA-N 407.580 3.502 0 50 HHAA C[C@@H]1[C@@H](NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)CCC[C@H]1C 248127713 XLFAAFRPYYNEII-WWGRRREGSA-N 400.350 3.805 0 50 HHAA O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCCN2CCC[C@H]2C1 252474622 IJVQQXZDUWCJLA-XZOQPEGZSA-N 416.512 3.602 0 50 HHAA CCN1CCC(N(CCc2ccccn2)C(=O)[C@H](C)Oc2ccc(F)cc2F)CC1 1506395083 BUMYOHAJLVDREL-KRWDZBQOSA-N 417.500 3.683 0 50 HHAA CCCOc1ccccc1C(=O)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857709717 NHJPQZWZYCACHN-DEOSSOPVSA-N 407.514 3.969 0 50 HHAA N[C@H]1C[C@H](C(=O)N2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)C[C@@H]1O 1857723288 YXYZCAPKXUGAPG-VCOUNFBDSA-N 403.526 3.639 0 50 HHAA O=C(O)CCc1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c1 2325740263 LGCNDJOFKNISEV-UHFFFAOYSA-N 419.481 3.783 0 50 HHAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc(Cl)c1O 844457 FEYFGCWDEHGKDA-KRWDZBQOSA-N 408.882 3.948 0 50 HHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NC(C)(C)C)C(C)C)cc1 2816983 AUOLMRAFEUXCLI-HXUWFJFHSA-N 409.530 3.916 0 50 HHAA CCOC(=O)CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 2849056 ATLGSANNTROZIX-UHFFFAOYSA-N 419.300 3.803 0 50 HHAA O=C(c1cn(C/C=C/c2ccccc2)nn1)N(CCO)CC12CC3CC(CC(C3)C1)C2 11999632 XSEGGGJTENMRMY-QPJJXVBHSA-N 420.557 3.642 0 50 HHAA COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3nccn3C)CC2)c1 12306711 VRAVVGZHBQCPOZ-UHFFFAOYSA-N 404.514 3.946 0 50 HHAA CC(C)S(=O)(=O)c1ncc(CN(C)Cc2cccs2)n1Cc1ccccc1F 12316912 RGSUEXXISJWAOF-UHFFFAOYSA-N 421.563 3.946 0 50 HHAA Cc1ccsc1S(=O)(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 13659415 XDEDEAGPEBDMAQ-INIZCTEOSA-N 424.563 3.693 0 50 HHAA CCC(CC)Nc1cnc2c(c1)c(NC(C)=O)c(C(=O)OC)n2C[C@@H]1CCCO1 14537345 LBIBOPOQNVXLFH-INIZCTEOSA-N 402.495 3.561 0 50 HHAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 14979117 VKSLOFARSOBRRO-HXUWFJFHSA-N 406.530 3.974 0 50 HHAA CCN(Cc1ccccc1)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1 64045036 DXEFTCXOTPKCSJ-UHFFFAOYSA-N 409.917 3.980 0 50 HHAA CC(C)(C)OC(=O)N1CCC2(CC[C@@H](CO)N2C(=O)OCc2ccccc2)CC1 110915236 MEMQNTUNMQJOEX-SFHVURJKSA-N 404.507 3.550 0 50 HHAA in-vitro O=C(NCc1nnc2ccc(-c3ccc(F)cc3)nn12)c1cccc(C(F)(F)F)c1 169781145 RMAJACGRYQLPGT-UHFFFAOYSA-N 415.350 3.879 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCCc3ccccn3)csc2C1 426632848 HUTISIAYHQLEMI-UHFFFAOYSA-N 410.543 3.669 0 50 HHAA COc1ccc(-c2ccnc(C3CCN(C(=O)NC[C@@H]4CCCS4)CC3)n2)cc1 952893542 NGJRQWYCRZPPRM-IBGZPJMESA-N 412.559 3.937 0 50 HHAA COc1cc(-c2onc(N(C)C)c2C(=O)NCCc2sccc2C)ccc1F 1704315934 RVSABYXJWJLOOL-UHFFFAOYSA-N 403.479 3.898 0 50 HHAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857683904 QOHKJSSKYAODBJ-GOTSBHOMSA-N 416.525 3.755 0 50 HHAA Cc1ccc(C(=O)N2CCC[C@@]3(CCc4c(N5CCCC5)nc(C5CC5)nc43)C2)cn1 1875245423 ZIKDXLBNBVZWMC-RUZDIDTESA-N 417.557 3.778 0 50 HHAA O=C(Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc2c(c1)OCO2 657219 XRVQIFOUNWHLCT-UHFFFAOYSA-N 404.378 3.649 0 50 HHAA Cc1cccc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1118728 DAQAFSRESWHYDX-UHFFFAOYSA-N 416.543 3.886 0 50 HHAA COc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 1130606 PRPRGZRXUDTSRD-UHFFFAOYSA-N 424.522 3.759 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)c1 1146678 BWZNITRNYILQFO-FQEVSTJZSA-N 411.527 3.752 0 50 HHAA O=C1[C@@H](Oc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1Cc1ccc2c(c1)OCO2 2862332 WELZJIPTOGHIJL-GOTSBHOMSA-N 417.417 3.675 0 50 HHAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)cc1OCC 4978041 XVJPZJSYAHWZTG-QFIPXVFZSA-N 423.513 3.818 0 50 HHAA CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2cccnc2OC)C1 11932952 NVCYEENAMGANJG-SZIFGRNDSA-N 408.498 3.979 0 50 HHAA O=C(NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)c1coc2c1C(=O)CCC2 12079837 BCPVTNWKMOCZPD-INIZCTEOSA-N 406.413 3.733 0 50 HHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCCc1ccccc1OC)C3 12149102 LHARTICEPWMZBB-KRWDZBQOSA-N 411.571 3.956 0 50 HHAA COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@H](O)CN1CCCC1 12297988 HCGCPEARIYQGAH-MRXNPFEDSA-N 410.967 3.535 0 50 HHAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C/C(C)=C/c3ccccc3)C2)cc1 12303693 UXTOBSWROYPEKZ-JENJNIGESA-N 414.571 3.789 0 50 HHAA CCn1nc(CC(C)C)cc1C(=O)N(C)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12314968 VUTCKPSHDYQOAX-JOCHJYFZSA-N 408.590 3.805 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccco4)CC3)C2)cc1F 12597067 BQURPLKOQPMSBZ-GOSISDBHSA-N 400.494 3.987 0 50 HHAA Cc1nc(C)c(CC(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)s1 14949114 UHEVTUKZXHOYRA-UHFFFAOYSA-N 403.567 3.855 0 50 HHAA CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 15061644 FCALKQNLQXKQNQ-GOSISDBHSA-N 402.897 3.919 0 50 HHAA CCCCn1c(CN2CCC[C@@H](C(=O)c3cccs3)C2)cnc1S(=O)(=O)CC 15075251 ZZJSUZAOYMCJMV-MRXNPFEDSA-N 423.604 3.633 0 50 HHAA CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)cc1 65362014 LNOJBXXOWSMBEL-IBGZPJMESA-N 416.529 3.998 0 50 HHAA C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 225559020 XEPXNFVFWMLSFA-HZSPNIEDSA-N 419.547 3.589 0 50 HHAA O=C(Nc1ccccc1)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCC2 239159532 MHAUZFPQJSLITI-RPLLJCPNSA-N 422.506 3.951 0 50 HHAA CC1(C)C[C@@H](NC(=O)c2c(F)ccc(S(=O)(=O)C3CCCC3)c2F)C(C)(C)O1 242242372 XUHWTKANHWLYEC-OAHLLOKOSA-N 415.502 3.757 0 50 HHAA CSCC[C@@H](NC(=O)[C@@H](C)N1Cc2ccccc2C1=O)c1nc2ccccc2n1C 252539487 OCLWUBCYUVFAOI-DNVCBOLYSA-N 422.554 3.528 0 50 HHAA C[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(OCC2CC2)c(F)c1 759413860 QABNPZPQMYBFIC-OAHLLOKOSA-N 412.461 3.607 0 50 HHAA Cc1ccc(CN(CCC2=CCCCC2)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 823698114 CPOGMFWPVDSEPW-HSZRJFAPSA-N 411.590 3.624 0 50 HHAA Cc1cc(C)c2[nH]c(C(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)c(C)c2c1 825125249 QSUUAHAGAZUONV-UHFFFAOYSA-N 423.464 3.926 0 50 HHAA COc1ccc(SC)c(OC)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 1462132823 YSWCJCSUCJEQEY-FUHWJXTLSA-N 414.571 3.924 0 50 HHAA COCC1(NC(=O)C[C@@H]2CCCN(c3nc4cc(OC)ccc4o3)C2)CCCC1 1857696966 GYIXOQCIEDHSDG-INIZCTEOSA-N 401.507 3.518 0 50 HHAA Cc1cnc(C(=O)N2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)cn1 1857703440 MHWQQIFIRPZBTM-JOCHJYFZSA-N 422.573 3.887 0 50 HHAA CCc1c(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c3c2CCC3)cnn1C 1875253892 ZFDASWXSWGHOCC-UHFFFAOYSA-N 403.408 3.928 0 50 HHAA O=S(=O)(CCC12CC3CC(CC(C3)C1)C2)N1CC(O)(c2ccc(Cl)cc2)C1 1875354171 BXJMAVABHGQPPN-UHFFFAOYSA-N 409.979 3.780 0 50 HHAA CCCc1sc(NC(=O)[C@@H]2CCC(=O)N(C)C2)nc1-c1ccc(OCC)cc1 1940195525 VKEIUGNFSHSLMS-OAHLLOKOSA-N 401.532 3.968 0 50 HHAA COc1ccc(Br)cc1CC(=O)N(C)c1cncc(Br)c1 2325865617 JMESRGSXLLVJMQ-UHFFFAOYSA-N 414.097 3.821 0 50 HHAA C[C@H](c1ccccc1)[C@H](NC(=O)CCC(=O)c1cc(Br)cs1)C(=O)O 2325876513 YCXCWNZVGPPRHT-DIFFPNOSSA-N 424.316 3.847 0 50 HHAA COc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 816898 XOTYUBZXHIWSLF-LLVKDONJSA-N 417.314 3.795 0 50 HHAA COc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 972681 ORKQDFPTFPJNNZ-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA O=C(CSc1ccccn1)Nc1ccccc1NC(=O)CSc1ccccn1 1131081 PVTXJLLIQQCJIB-UHFFFAOYSA-N 410.524 3.938 0 50 HHAA COc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@@H]3C2=O)c1 1174242 DAEAVKWGQROMRQ-ZOVQAKDCSA-N 423.468 3.835 0 50 HHAA CC(C)(C)OC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O 2562519 FATGZMFSCKUQGO-HNNXBMFYSA-N 404.463 3.945 0 50 HHAA biogenic Cc1cc(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)no1 2793956 DTGZTISGULIJOW-UHFFFAOYSA-N 411.643 3.884 0 50 HHAA O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCCC1=O)c1ccc(Cl)cc1 2883167 NASXANKXXUUCFA-UHFFFAOYSA-N 419.264 3.773 0 50 HHAA COc1ccc([C@@H](C)NC(=O)c2ccccc2I)cc1OC 4869982 YFOXZVJCDGJZKH-LLVKDONJSA-N 411.239 3.799 0 50 HHAA COc1cc(CNCc2ccccc2)ccc1OC[C@@H](O)CN1CCCCCCC1 11661366 KHKCZOZWMQMIMI-QHCPKHFHSA-N 412.574 3.991 0 50 HHAA CN(C)CCOc1cccc(CN(Cc2ccccn2)C(=O)Cc2ccc(F)cc2)c1 11838800 VTJBTXPRFPRNQL-UHFFFAOYSA-N 421.516 3.933 0 50 HHAA O=C(c1ccccc1-c1ncc[nH]1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 11935939 RHTDVDHNLFJGBR-QGZVFWFLSA-N 404.470 3.565 0 50 HHAA CSc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)[C@@H]2Cc4ccccc4O2)CC3)cc1 12054742 IMQMOJQGWUYOAN-CTNGQTDRSA-N 422.550 3.979 0 50 HHAA CCOc1ccc2nc(N3CCC[C@H]3C(=O)NCc3ccccc3OC)nc(C)c2c1 12055089 RNXRAOJNGIJAHM-NRFANRHFSA-N 420.513 3.631 0 50 HHAA O=C(c1cccc(F)c1)N1CC[C@H]2[C@H](CCCN2Cc2ccc3nsnc3c2)C1 12190304 GAWHXMVDMCUJTM-UTKZUKDTSA-N 410.518 3.957 0 50 HHAA CCn1nc(C)cc1C(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12442827 KKTCJMREYPQUKO-QFIPXVFZSA-N 402.489 3.618 0 50 HHAA COc1ccc(CCc2nnc(CCC(=O)N3CC[C@H](c4ccc(F)cc4)C3)o2)cc1 12706898 FTTXSQXASDXFOV-IBGZPJMESA-N 423.488 3.951 0 50 HHAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccc(C)n4)C3)C2)c1OC 12759125 MCTRUCPRTCZRJA-XMMPIXPASA-N 409.530 3.536 0 50 HHAA Cc1ccc(C(C)C)c(OCCSc2nc3ccccc3n2C[C@H](O)CO)c1 13786402 ITHIRNVMXXGEOM-KRWDZBQOSA-N 400.544 3.992 0 50 HHAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1Cl 14960749 LVFYNFAPSYDIRV-OAHLLOKOSA-N 422.909 3.584 0 50 HHAA COc1ccc(-c2noc(CN(C)Cc3cnn(-c4cccc(OC)c4)c3)n2)cc1 20351642 OPYZWGMJTKGLEZ-UHFFFAOYSA-N 405.458 3.572 0 50 HHAA O=C(/C=C\c1ccco1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 32638482 ASXSYAMGCXIAFO-SEYXRHQNSA-N 401.466 3.894 0 50 HHAA CCCCn1c(CN(C)Cc2cccc3ncccc23)cnc1S(=O)(=O)CC 55134000 GXFPZWZRGOTFCH-UHFFFAOYSA-N 400.548 3.657 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4cccc(C)c4)CC3)nn2)nc1 72434276 FEAAUEUFIYVVSR-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA COc1ccc2[nH]c([C@H](C)NC(=O)[C@@H](C)Oc3ccccc3Br)nc2c1 170598435 ALMNFFFQMZMFEG-NWDGAFQWSA-N 418.291 3.979 0 50 HHAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O)CC3 170625183 KRNFTRBUTRDCLO-HSZRJFAPSA-N 417.509 3.742 0 50 HHAA biogenic O=C(O)CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cnc2ccccc2n1 225504368 KLPSZSPNNKVWNO-IBGZPJMESA-N 408.845 3.826 0 50 HHAA O=C(N[C@@H](c1ccccc1)c1nc[nH]n1)c1ccnc(Oc2ccc(F)cc2F)c1 447551743 SLBDEZXKGWCAKF-IBGZPJMESA-N 407.380 3.790 0 50 HHAA COc1ccc(Cn2nc(C)c(CNc3cccc([C@@H]4CNC(=O)C4)c3)c2C)cc1 463738953 KWNNUXOYUWKEFR-FQEVSTJZSA-N 404.514 3.772 0 50 HHAA O=C(NC1CCN(Cc2ccncc2)CC1)c1ccnc(-c2ccc(Cl)cc2)n1 484717634 XXSNTRKJPYUJIN-UHFFFAOYSA-N 407.905 3.586 0 50 HHAA O=C(NCc1cccc(NC(=O)Nc2ccccc2)c1)NC[C@@H]1CCn2ccnc2C1 1875264114 JCDFSNXUKPPEJV-GOSISDBHSA-N 418.501 3.589 0 50 HHAA CO[C@H](C(=O)Nc1ccc2c(c1)C(=O)NCCC2)c1ccc(Br)s1 1875316895 HLRCKECZDYTWIE-HNNXBMFYSA-N 409.305 3.513 0 50 HHAA O=C(NC[C@@H]1CCN(C(=O)COc2ccccc2F)C12CC2)c1ccsc1Cl 1875345572 BUVOMRZOFXJTEU-ZDUSSCGKSA-N 422.909 3.731 0 50 HHAA CC(=O)Nc1ccc2nc(CN3CCC[C@]4(CCc5cnc(C)nc54)C3)ccc2c1 2356160214 IWADQPFEXANRRT-DEOSSOPVSA-N 401.514 3.772 0 50 HHAA O=C(Cn1cnc2ccc(Br)cc2c1=O)c1cccc(Br)c1 630025 HZNXALGJAJUMHA-UHFFFAOYSA-N 422.076 3.804 0 50 HHAA COc1ccc(NC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CC[C@@H](C)C3)cc1 722407 BZVPTVNXVSYXQP-GFCCVEGCSA-N 416.499 3.937 0 50 HHAA Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 887528 ZLMKGPPPJKGFFV-UHFFFAOYSA-N 412.486 3.964 0 50 HHAA Cc1ccc(CN(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 1012519 KPDURFHRKLXRRY-UHFFFAOYSA-N 412.486 3.964 0 50 HHAA Cc1cc(C)cc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2)c1 1171585 VHKJEBDVOKHCFS-UHFFFAOYSA-N 400.544 3.901 0 50 HHAA COCCNC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CCCC2 2261985 BDMJSRUDCMYVKQ-UHFFFAOYSA-N 422.934 3.674 0 50 HHAA CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1cccc2ccccc12 2987084 IKXVZHIQKMSPTC-UHFFFAOYSA-N 414.552 3.514 0 50 HHAA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)c2nonc12 5041681 SERMWZRAYBHAPW-UHFFFAOYSA-N 407.352 3.722 0 50 HHAA CCc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(C)cc1 5102346 FYPGFMGWCVKVDS-UHFFFAOYSA-N 400.544 3.765 0 50 HHAA O=C1N[C@H](c2c(F)cccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 8915363 BFDBJKZLOJVEMP-ZOWXZIJZSA-N 422.787 3.645 0 50 HHAA COC[C@H]1CCCCN1C(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1 11971444 QLHDMCHZAMLVPB-BWKNWUBXSA-N 408.542 3.839 0 50 HHAA COc1cccc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CCC2=O)c1 12037871 AACVQBJULMWSAN-UHFFFAOYSA-N 406.404 3.589 0 50 HHAA COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1cc(F)cc(F)c1)CC2 12135327 KUBJHSWSOUNDAJ-OAQYLSRUSA-N 414.496 3.934 0 50 HHAA COc1cc(CN(C)Cc2ccc(F)cc2)ccc1OC[C@@H](O)CN(C)C(C)C 12430257 DMULEYLWMICRNC-NRFANRHFSA-N 404.526 3.546 0 50 HHAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C[C@H]1CC=CCC1)CC2 14541438 GRSZIINNPCGRPN-IBGZPJMESA-N 407.558 3.629 0 50 HHAA Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCC1(c3ccccc3)CCCC1)C2 14731613 XAMYXKXOYKRPQB-FQEVSTJZSA-N 406.574 3.615 0 50 HHAA CCN(CC)[C@@H]1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C)C1 14886876 HNRMMZVZMPYPBP-QGZVFWFLSA-N 424.574 3.564 0 50 HHAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N[C@H](C)c2ccncn2)c1 15078527 KXXRZHCLKFRALT-QGZVFWFLSA-N 424.545 3.762 0 50 HHAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 21793621 HZVNZYOUWAYICM-UHFFFAOYSA-N 407.562 3.645 0 50 HHAA Cc1nc([C@@H](C)NC(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)n[nH]1 67446991 KTTFVGGUFBNTHM-SECBINFHSA-N 420.420 3.999 0 50 HHAA COc1ccc(-c2nc(CN(C)C[C@@H]3COc4ccccc4O3)c(C)o2)c(OC)c1 96406001 ZHKFFGOOLGJSJV-QGZVFWFLSA-N 410.470 3.939 0 50 HHAA CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1O 146417067 XDBNOYYJZISWGQ-OAQYLSRUSA-N 424.497 3.807 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc(F)cc4F)C3)[nH]n2)cc1 169753650 KXCNITAPUMOHGD-INIZCTEOSA-N 412.440 3.762 0 50 HHAA COc1ccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccccc3Cl)C4)no2)cc1 169769190 VFTINRFAYWCMAD-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA O=C(Cn1nc(-c2ccco2)ccc1=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 169774002 VWLHMEKWQVEENB-QGZVFWFLSA-N 422.872 3.832 0 50 HHAA COC(=O)[C@@](C)(NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccccc1 225419559 RNSQOHLPGMTRNP-FQEVSTJZSA-N 415.540 3.776 0 50 HHAA C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccccc4)c3)C(=O)[C@H]2C1 239412361 SPCBYVGBRINFHK-YSGRDPCXSA-N 405.450 3.652 0 50 HHAA O=c1c(CN2CCOc3ccc([C@H](O)c4ccncc4)cc3C2)coc2ccccc12 299791202 CPYPWKARUQHJCN-XMMPIXPASA-N 414.461 3.664 0 50 HHAA Cc1ccc(C(=O)N2CCC(C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)CC2)cc1 952966646 FGZZGHSIHORZHG-QHCPKHFHSA-N 407.558 3.575 0 50 HHAA O=C(Nc1cnn2c1NCCC2)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 1506397724 YJOVHCALCHVROV-UHFFFAOYSA-N 415.541 3.871 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3cc(=O)c4ccc(C)cc4o3)CC1)OCC2 1704358405 KKLUXBPDUPIGDG-UHFFFAOYSA-N 419.477 3.814 0 50 HHAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc(-c2cccs2)nc2onc(C3CC3)c12 2325738517 MZZOIWWJESHATP-ZDUSSCGKSA-N 405.483 3.839 0 50 HHAA O=C(COc1ccccc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356137390 MAELONKYQVESBI-DPLHUUCSSA-N 414.505 3.657 0 50 HHAA Cn1nc(C2CC2)cc1C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356153846 XNDDLPDQURDSLB-VWLOTQADSA-N 413.525 3.875 0 50 HHAA COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 634660 VWIPGSBRLLDKFI-UHFFFAOYSA-N 400.525 3.900 0 50 HHAA CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 686861 YOMZADRMVBNORQ-UHFFFAOYSA-N 414.458 3.877 0 50 HHAA CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 821377 XFQMFVZSIBTLKL-UHFFFAOYSA-N 412.861 3.574 0 50 HHAA CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccccc2OC(C)C)NC(=O)N1 847697 VCBDTLZTPNTPPA-OAQYLSRUSA-N 424.453 3.574 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)cc1Br 881906 HKBQWBMLHQTFBT-UHFFFAOYSA-N 408.321 3.651 0 50 HHAA COc1ccc(CCNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1OC 904715 IRAJBXLSNMLASZ-UHFFFAOYSA-N 417.556 3.776 0 50 HHAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(OC3CCCC3)cc2)NC(=O)N1 1126930 WLYXUINJAOPEDU-QFIPXVFZSA-N 405.498 3.952 0 50 HHAA CCn1ncc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1C 2804869 MGGHXKZXUJNZOH-UHFFFAOYSA-N 421.526 3.543 0 50 HHAA Cn1nccc1-c1nnc(S)n1-c1cnn(Cc2ccc(Cl)cc2Cl)c1 2808696 UJOXCMSETLYUQH-UHFFFAOYSA-N 406.302 3.508 0 50 HHAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)c2cccc(N3CCOCC3)c2)c1C 11665119 DYNKKXOBHWCMIW-SFHVURJKSA-N 404.514 3.817 0 50 HHAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2C(=O)C2CCOCC2)cc1 11840189 IQWDHJLFVMHLNW-QFIPXVFZSA-N 408.498 3.718 0 50 HHAA O=C1CCN(Cc2ccc3c(c2)OCO3)CCN1Cc1ccccc1C(F)(F)F 12037405 PLIXKYXDOZVHCU-UHFFFAOYSA-N 406.404 3.669 0 50 HHAA Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 13628435 LEDOJJWZIQGWFZ-UHFFFAOYSA-N 424.936 3.739 0 50 HHAA CCN(CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 14977651 JOGGEIVPQUKOIF-UHFFFAOYSA-N 424.574 3.682 0 50 HHAA CN(C)c1ncc(CN2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)s1 15069617 GVSBWLCNFNQPQF-UHFFFAOYSA-N 412.603 3.786 0 50 HHAA C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 17089991 QQVDVGFWZJLTHU-AWEZNQCLSA-N 414.527 3.996 0 50 HHAA Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 40423557 CWPKTBMRVATCBL-UHFFFAOYSA-N 404.558 3.940 0 50 HHAA in-vitro COc1ccc(-c2ccc3nnc(CNC(=O)c4cc(Cl)ccc4F)n3n2)cc1 169778530 HDYNAQQDJGBPCK-UHFFFAOYSA-N 411.824 3.522 0 50 HHAA Fc1cccc(Cc2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)c1 169780524 XJAAMNMAVJWCKQ-QGZVFWFLSA-N 411.824 3.983 0 50 HHAA CCCOc1cc(S(=O)(=O)NCc2ccc(OC)cc2)ccc1Br 230517083 VIOUKVFCDAXZOV-UHFFFAOYSA-N 414.321 3.725 0 50 HHAA CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cs1 1292393943 DFOGGYJAVVRYTC-RBGFHDKUSA-N 405.564 3.765 0 50 HHAA O=C(O)c1c(NCC2CCN(C(=O)C3CC3)CC2)noc1-c1ccc(Cl)cc1 1704325964 PWUQGLNACMLMEJ-UHFFFAOYSA-N 403.866 3.754 0 50 HHAA COc1cc(Cl)cc(CN2CC(=O)N[C@@H](Cc3ccccc3)C2)c1OC(C)C 1772703933 GPKRDJXOSRGXRE-IBGZPJMESA-N 402.922 3.679 0 50 HHAA CSCC(=O)N1C[C@H]2CN(Cc3cccnc3C)C[C@]2(CCc2ccccc2)C1 1772709227 JIGFQSAUOLAIHU-ISKFKSNPSA-N 409.599 3.646 0 50 HHAA Cc1nc2c(N[C@@H]3CCc4cc(Br)ccc4NC3=O)ncnc2s1 1875329017 YRPZLEWTWINYNY-GFCCVEGCSA-N 404.293 3.523 0 50 HHAA CN(CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C)CCOc1ccc2ccccc2c1 1875333909 PLXBALULOZCCBE-DHIUTWEWSA-N 420.557 3.536 0 50 HHAA COCc1cccc(NC(=O)C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)n1 2325820136 BBHSKEXAFFFORA-UHFFFAOYSA-N 422.312 3.755 0 50 HHAA Cc1cc(=N[C@@H]2CCCN(c3ccnn3C)C2)c2cc(Br)ccc2[nH]1 2325826837 NUDGXPJSEFMJOR-OAHLLOKOSA-N 400.324 3.542 0 50 HHAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccccc3C(F)(F)F)C1)CC2 2356158644 SXSBAQWOVRRHLC-FQEVSTJZSA-N 404.436 3.682 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 670758 MUVDDXXAVQTNAL-UHFFFAOYSA-N 412.511 3.888 0 50 HHAA O=C(Oc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1)c1ccco1 915597 HLCMRJMODJWPSE-UHFFFAOYSA-N 400.390 3.819 0 50 HHAA aggregator Cc1ccc(SCC(=O)N2CCN(C(=O)CSc3ccc(C)cc3)CC2)cc1 1133004 SXXMUZYANVILSN-UHFFFAOYSA-N 414.596 3.859 0 50 HHAA CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 1216275 FKDSFMKLXZHBDP-UHFFFAOYSA-N 410.499 3.827 0 50 HHAA O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1 1410933 HGJRZFDKWAQRHJ-UHFFFAOYSA-N 424.925 3.729 0 50 HHAA O=C(Cn1nnc(-c2ccc(OCc3ccccc3Cl)cc2)n1)NC1CCCC1 1424482 SPCLCXFSHDEFPC-UHFFFAOYSA-N 411.893 3.631 0 50 HHAA O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2757076 UPNCJAGKAHYGAH-FCHUYYIVSA-N 404.510 3.587 0 50 HHAA Cc1c(CN(C)C(=O)c2cc(Br)c(Br)s2)cnn1C 2781264 QPRQNWFUWMVSQE-UHFFFAOYSA-N 407.131 3.587 0 50 HHAA CCOC(=O)[C@](NC(=O)NCCc1ccccc1)(c1ccc(F)cc1)C(F)(F)F 2872291 HCLWHJQYRWRUPB-LJQANCHMSA-N 412.383 3.688 0 50 HHAA CCc1cc2c(=O)n(NC(=O)CSCc3ccc(C)cc3)c(S)nc2s1 6489864 BDGNTTAPNYKCNJ-UHFFFAOYSA-N 405.570 3.621 0 50 HHAA CCOC(=O)c1c(NC(=S)N(C)Cc2cnn(C)c2)sc2c1CCCCC2 6844315 QRBBFWLUDAULEV-UHFFFAOYSA-N 406.577 3.756 0 50 HHAA COc1ccc(OCc2nc3c4c(C)c(C)n(Cc5ccccn5)c4ncn3n2)cc1 9421853 OGTVJEXWAZZILN-UHFFFAOYSA-N 414.469 3.727 0 50 HHAA COC(=O)c1ccc(NC(=O)N2CCC[C@H](Nc3ccc(OC)c(OC)c3)C2)cc1 12317959 BTHJNNDNMKYUHC-SFHVURJKSA-N 413.474 3.599 0 50 HHAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1 12372982 PUAFUBCQCATPAC-OALUTQOASA-N 414.546 3.737 0 50 HHAA FC(F)(F)c1ccc(-c2noc(Cn3cc(I)cn3)n2)cc1 12374750 LGPCWXIUHKWSOV-UHFFFAOYSA-N 420.132 3.605 0 50 HHAA O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)[C@@H]2CCCO2)CC1 15074279 RWOBQSGNNUCBKY-KRWDZBQOSA-N 417.897 3.523 0 50 HHAA O=C1Nc2ccc(Br)cc2[C@]12NCCc1c2[nH]c2ccc(Cl)cc12 19899735 XSOBSQCNNGDVAV-GOSISDBHSA-N 402.679 3.925 0 50 HHAA biogenic CCOc1ccccc1NC(=O)N1CCN(c2cc(C)nc(N3CCCCC3)n2)CC1 65364721 ZDZLKWQYMYFJDV-UHFFFAOYSA-N 424.549 3.528 0 50 HHAA CN1CCC(N2CCN(Cc3ccc(-c4cccc(Cl)c4)o3)C[C@H]2CCO)CC1 106685781 IQZPLNCCQZCVQM-OAQYLSRUSA-N 417.981 3.563 0 50 HHAA CCN1c2cc(C(=O)Nc3cccc(C(=O)OC)c3)ccc2C(=O)N2CCCCC[C@H]21 169766430 IGSXWYNDNBPBNQ-NRFANRHFSA-N 421.497 3.908 0 50 HHAA COc1cccc(-c2nc(-c3nnn4c3CO[C@H](c3ccccc3Cl)C4)no2)c1 169769203 MMAYWBAEFZNUSH-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA C[C@H]1CN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC[C@H]1O 170601353 KIMNCKUWRUWSDY-IINYFYTJSA-N 421.341 3.753 0 50 HHAA CC(C)C(=O)N1CCC(C(=O)N[C@@H](C)[C@H](c2ccccc2Cl)n2cccn2)CC1 390832676 NXAQEILAYCEIFW-OXJNMPFZSA-N 416.953 3.525 0 50 HHAA Cc1cccc2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C(F)(F)F)nc3Cl)cnc12 816762455 ZJESGZMRWDHAAP-NSHDSACASA-N 424.810 3.650 0 50 HHAA CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(CC)cc3)C2)c1 952973030 XERGLTRNXZIHCV-LJQANCHMSA-N 407.514 3.893 0 50 HHAA O=C(C[C@@H](c1ccccc1)c1ccco1)NCCS(=O)(=O)c1ccc(F)cc1 952981298 VRGHLNRVQWILOU-IBGZPJMESA-N 401.459 3.531 0 50 HHAA Cc1noc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3c3nc(C(C)C)no3)o2)c1C 1506419477 QJDFASBUNLTXDF-AWEZNQCLSA-N 420.491 3.974 0 50 HHAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2c(OC)ccc3ccccc23)cc1OC 1529171714 ABYBZWYCGPIQFA-JWQCQUIFSA-N 423.509 3.800 0 50 HHAA C[C@@]1(c2ccc(F)c(F)c2)C[C@@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 1875261217 KDMJVKQQZMRSAU-UNMCSNQZSA-N 400.473 3.606 0 50 HHAA CS(=O)(=O)c1cccnc1C(=O)Nc1nc2c(s1)CC1(CCCCC1)CC2 1875354949 UXGJNWWKIQGCBR-UHFFFAOYSA-N 405.545 3.633 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccc(NC(=S)NCc3ccco3)cc2)cc1 2809066 VUBFFXQCHWSQIW-UHFFFAOYSA-N 401.513 3.875 0 50 HHAA COc1ccc2cc(CNCc3nonc3C)c(=O)n(Cc3ccccc3Cl)c2c1 11910468 YEEKQPSWQPFRCR-UHFFFAOYSA-N 424.888 3.693 0 50 HHAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cccc3c2OCO3)C1 12713435 FFEVATIZFAXHBO-XMMPIXPASA-N 411.498 3.812 0 50 HHAA O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)/C=C/c2ccccc2)CCCN1 14652469 OROFOUPCOTVAJQ-NSFRLNINSA-N 405.542 3.550 0 50 HHAA in-vitro COc1ccc(CCNC(=O)C2CCN(c3nc(C)c4ccccc4n3)CC2)cc1 14881416 UBJTYMDLEIUNPO-UHFFFAOYSA-N 404.514 3.522 0 50 HHAA CN(Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1)Cc1cccs1 14982569 KKLGNUAQYDDKFB-UHFFFAOYSA-N 411.571 3.623 0 50 HHAA CN1CCN(C(=S)SCC(=O)N2c3ccccc3CCc3ccccc32)CC1 20081680 HNTXUILEEBVKHX-UHFFFAOYSA-N 411.596 3.715 0 50 HHAA COc1ccccc1N1CCN([C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)CC1 20211909 VOQMCADNYYLODA-HXUWFJFHSA-N 413.587 3.746 0 50 HHAA CC[C@@H](C(=O)Nc1cccnc1Cl)n1ccc(C(=O)Nc2cccnc2Cl)n1 20617446 AJBFWCUHQWOWJJ-AWEZNQCLSA-N 419.272 3.822 0 50 HHAA CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 55226545 BUMLRLBDPOEDHE-FQEVSTJZSA-N 413.905 3.609 0 50 HHAA CCOC(=O)C1=C(CNCc2cccc(C)c2)NC(=O)N[C@@H]1c1cc(C)ccc1C 55227023 XCMFMDPBKODMLU-JOCHJYFZSA-N 407.514 3.573 0 50 HHAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)Nc3ccc(C)cc3)C2)CC1 64053454 CVSYFVDJHUZTBI-NRFANRHFSA-N 408.546 3.822 0 50 HHAA CCCOC(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(CCC)c1=O 100670667 PWPVGHNMSCTPRQ-UHFFFAOYSA-N 408.454 3.936 0 50 HHAA Cc1ccsc1C(=O)N1CCC2(CC1)NC(c1cccc(Br)c1)=NO2 169754929 ISIVKSSNHLMDEZ-UHFFFAOYSA-N 420.332 3.733 0 50 HHAA O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCOc2c(Br)cccc21 225709925 RBMJKJQUWTYBEG-XJKSGUPXSA-N 401.260 3.515 0 50 HHAA O=C(c1cc(Br)cc2nn[nH]c12)N1CCc2c1cccc2C(F)(F)F 225736190 VRUJFBRWPIBYPW-UHFFFAOYSA-N 411.181 3.942 0 50 HHAA COC1(c2nc(C3CC3)no2)CCN([C@H](C)C(=O)Nc2cccc(SC)c2)CC1 225839013 XFIUYQPHUBKPLV-CQSZACIVSA-N 416.547 3.634 0 50 HHAA CC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 239025593 BVHPVMBSUYMRAO-ZCLUNYJNSA-N 403.434 3.644 0 50 HHAA Cc1cc(C)cc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C=C[C@H]2C)c1 241644626 PSGUXWGANGRDER-BRKWEVRTSA-N 402.494 3.865 0 50 HHAA CSCC[C@@H](CO)NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 253410859 NWFKBUFZKVVWFE-HNNXBMFYSA-N 417.527 3.627 0 50 HHAA biogenic O=C(N[C@H]1CCc2ccccc21)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263619685 ZZMSFCBNQJHBQE-NQIIRXRSSA-N 415.541 3.628 0 50 HHAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(Cc2ccccc2Cl)=NO1 299769541 QDZNABAZKAPUQE-FQEVSTJZSA-N 400.910 3.678 0 50 HHAA O=C(NCc1cnn(Cc2ccccc2)c1)C1(Cc2cccc(F)c2)CCOCC1 432719861 UDLSURKVGHWSLN-UHFFFAOYSA-N 407.489 3.726 0 50 HHAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CC[C@](CO)(c2ccccc2)C1 462980698 XSBACFYYVWJUBS-DEOSSOPVSA-N 423.944 3.848 0 50 HHAA O=C(OCc1ccccc1)N1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 1435614955 ITQPAEDQACKFGG-UHFFFAOYSA-N 421.266 3.683 0 50 HHAA O=C(c1nnc(O)c2ccccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1469920762 FVTNHFCZAMMOAH-UHFFFAOYSA-N 403.269 3.605 0 50 HHAA COC[C@H](C)[C@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1875260799 HTNHYGJXWJCJFW-RYUDHWBXSA-N 407.864 3.757 0 50 HHAA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1Br 793020 AJXGCWWENPMFOL-UHFFFAOYSA-N 411.321 3.732 0 50 HHAA COC(=O)c1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)sc2c1CCCCC2 994999 VLJITGIQYXRWSR-UHFFFAOYSA-N 422.528 3.563 0 50 HHAA O=C(CSc1nnc(-c2ccc(Br)cc2)o1)NCCc1ccccc1 1144300 DVJNRXRFZAPNQT-UHFFFAOYSA-N 418.316 3.950 0 50 HHAA O=C(CCc1ccccc1)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 1158536 LZJUYRFAXBZJPA-UHFFFAOYSA-N 406.463 3.786 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC(C)C)cc3n2)cc1OC 1203987 UYBRZTOLWHAKEJ-UHFFFAOYSA-N 409.364 3.998 0 50 HHAA CC(C)CC(=O)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl 3130660 LRFOHJSEZRBIPO-GFCCVEGCSA-N 400.734 3.971 0 50 HHAA CC[C@H](C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC)c1ccccc1 4387609 ALDPXWCYQNSIQJ-SFHVURJKSA-N 404.532 3.858 0 50 HHAA CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2ccc(F)cc2)cc1 4811259 RQVCJZATPMWDKD-UHFFFAOYSA-N 422.522 3.582 0 50 HHAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 4820970 AWOAFAXLVFCJHV-PMACEKPBSA-N 404.466 3.885 0 50 HHAA COc1ccc(C(=O)NC[C@@H]2Cc3cccc(-c4ccncc4)c3O2)c(OC)c1OC 11979261 OWCNEXSWCDKHFA-KRWDZBQOSA-N 420.465 3.508 0 50 HHAA COc1ccc(-c2cnnc(NCC3CCN(CCc4ccccc4)CC3)n2)cc1 11998600 KUAYJOHRNKGFNX-UHFFFAOYSA-N 403.530 3.914 0 50 HHAA O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCC[C@@H]1c1ccc(F)cc1 12300413 SPXWZTRPMDJUDB-QGZVFWFLSA-N 409.417 3.901 0 50 HHAA Cc1nc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)cs1 14879507 OCMDBIPWJRLCMI-SFHVURJKSA-N 403.523 3.534 0 50 HHAA C[C@H](CNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O)c1ccccc1 14989013 NNLDXBVNOONICG-GOSISDBHSA-N 423.557 3.664 0 50 HHAA COC(=O)c1cc(CNC(=O)c2cc(C(C)C)n[nH]2)cc(NC(=O)c2ccccc2)c1 15071068 OLYIRFNZMNQAFX-UHFFFAOYSA-N 420.469 3.502 0 50 HHAA CC(C)(C)c1cc(I)c(O)c(I)c1 38388871 CZMBOODZJMDOJH-UHFFFAOYSA-N 402.013 3.899 0 50 HHAA COCCn1c(CN(C)Cc2ccccc2)cnc1S(=O)(=O)CC1CCCCC1 55154692 URQXMSDMVZGDMI-UHFFFAOYSA-N 419.591 3.516 0 50 HHAA COc1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCCCCC3)c2)c1OC 71748674 QVZPYJSTBPKZAX-UHFFFAOYSA-N 419.499 3.634 0 50 HHAA COc1ccc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95512901 XAKRDTHSXXCBTB-TUACAJSNSA-N 401.510 3.879 0 50 HHAA COc1ccccc1CC(=O)N[C@@H]1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 169753763 PLOAAQZLJBKWJO-GOSISDBHSA-N 410.905 3.676 0 50 HHAA Cc1cc(C)cc(C(=O)NCCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 169775971 KTHJAVUDEPQQLM-UHFFFAOYSA-N 414.509 3.827 0 50 HHAA COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1O 170617692 MJJHPBLLYOIIOS-UHFFFAOYSA-N 421.805 3.543 0 50 HHAA O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)c1cccc(OC(F)F)c1 170636123 ZRXPBCIWEYUMTE-UHFFFAOYSA-N 400.429 3.559 0 50 HHAA O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239339043 LPRDKGYMPJZAIG-HXIANDDZSA-N 402.425 3.636 0 50 HHAA CCS(=O)(=O)c1cccc(S(=O)(=O)N(CC(C)(C)C)c2ccc(F)cc2)c1 239527609 ATLFQYYGORJOBE-UHFFFAOYSA-N 413.536 3.861 0 50 HHAA CCOC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCC[C@H]2C)C1 241684876 QFXCTELSOMCKJL-WIYYLYMNSA-N 401.551 3.546 0 50 HHAA CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@@H]2C1=O 253387470 OEUDITAJWLGFIL-GXPUJQSHSA-N 414.505 3.943 0 50 HHAA CS(=O)(=O)c1cccc([C@H](Nc2ncnc(N)c2Cl)c2ccc(F)c(F)c2)c1 302877064 FVPMNWKBSRWHIR-INIZCTEOSA-N 424.860 3.595 0 50 HHAA CC(C)Cn1nc(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)c2ccccc2c1=O 433537396 DSCUUWLSTMYDCE-IIBYNOLFSA-N 405.498 3.517 0 50 HHAA CN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1ccc2nc(O)[nH]c2c1 752818781 RSYMAVIWROKYEW-UHFFFAOYSA-N 406.467 3.537 0 50 HHAA COc1ccc(Cl)cc1C(=O)NCC1CCN(c2cc(C3CC3)ncn2)CC1 952990471 QOKOXWPNBXFFCU-UHFFFAOYSA-N 400.910 3.662 0 50 HHAA CCN(C)c1nc(C(C)(C)C)nc2c1CC[C@@]21CCCN(C(=O)c2cccnc2)C1 1875245341 VUSPWSAHYHJRHR-XMMPIXPASA-N 407.562 3.745 0 50 HHAA C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1)[C@H](O)c1c(F)cccc1F 1875262776 PDHXGJMBRHMCGV-YYSFKGJASA-N 409.795 3.999 0 50 HHAA N[C@@H](Cc1n[nH]c2ccccc12)C(=O)N[C@H]1CCCOc2c1ccc1ccccc21 1875351961 OIAGJTXQUMMBCX-PMACEKPBSA-N 400.482 3.616 0 50 HHAA COc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc(OC)c1OC 643514 GICLFQQTPHBFDL-UHFFFAOYSA-N 407.426 3.612 0 50 HHAA CCc1ccc(C(=O)N[C@@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)C(C)C)cc1 1058394 FRZOKDFJQPSUPI-XMMPIXPASA-N 421.585 3.969 0 50 HHAA Cc1cccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 1119507 ROLYGHOFXWZLFT-DLBZAZTESA-N 411.310 3.914 0 50 HHAA Cc1c(NC(=O)c2ccccc2NC(=O)COc2ccccc2)cccc1C(=O)O 1144574 HGYWGQOLMPSENF-UHFFFAOYSA-N 404.422 3.963 0 50 HHAA COc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cccs3)c3ccccc32)cc1OC 2859057 OHYVXYQLSQWRCN-HSZRJFAPSA-N 423.490 3.773 0 50 HHAA COc1cc(C(=O)c2ccccc2)c(OC)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1 4459361 FKWBFYBHZXDUHB-UHFFFAOYSA-N 424.541 3.974 0 50 HHAA COc1ccccc1N1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 4706897 WJNPANGSCRVXRF-UHFFFAOYSA-N 418.335 3.609 0 50 HHAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1 4820535 HCASWGOVHVGLIN-UHFFFAOYSA-N 404.507 3.860 0 50 HHAA O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1 6757863 SIWMNBRFANIMSP-UHFFFAOYSA-N 411.889 3.961 0 50 HHAA Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1 7387963 PWDHZNNEKQBAJC-UHFFFAOYSA-N 409.530 3.707 0 50 HHAA COc1ccc2cc(CNCc3ccccc3F)c(N3CCC[C@@H](CO)C3)nc2c1 11782217 XILQXIXJPVFADR-QGZVFWFLSA-N 409.505 3.881 0 50 HHAA COc1cc(CC(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)cc(OC)c1OC 11817409 LYWYIFOIURSXPY-GOSISDBHSA-N 404.551 3.558 0 50 HHAA O=C(CC1CCCC1)NC[C@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1 11841720 YLTLVOKCFFYDGO-HXUWFJFHSA-N 402.510 3.676 0 50 HHAA CCc1ccc(CN2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 11910445 ZQVCAKGAJFDZNQ-VWLOTQADSA-N 405.542 3.672 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@@H](NCCc1ccccc1)CC3 12218734 NCDRVEOQGSNCFJ-SFHVURJKSA-N 416.550 3.591 0 50 HHAA O=C(c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)N1CCC[C@H](O)C1 12439107 HMCQOUYNQPNHCJ-SFHVURJKSA-N 406.954 3.723 0 50 HHAA COCCN(Cc1cccc2c1OCO2)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12747809 URWOTCHWTXYHFU-FQEVSTJZSA-N 422.569 3.743 0 50 HHAA Brc1ccc(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)o2)cc1 13959744 HOLQEKUTVVRGRV-UHFFFAOYSA-N 411.219 3.602 0 50 HHAA COC(=O)c1c(NC(C)=O)c2cc(NC3CCCCC3)cnc2n1C[C@H]1CCCO1 14532822 LEZLSJZXWLLZIX-QGZVFWFLSA-N 414.506 3.705 0 50 HHAA CCn1c(-c2ccncc2)nnc1S(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 170617090 ZBIUBEFESGEASN-GFCCVEGCSA-N 410.421 3.914 0 50 HHAA CCN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 230124098 IOHXERRXSNSYDF-DNVCBOLYSA-N 416.953 3.580 0 50 HHAA C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 242302160 YPYUJHAIPOMKOI-FCEWJHQRSA-N 405.498 3.869 0 50 HHAA CN(C)Cc1cc(C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)no1 428766829 VHYXSIXQTDREAK-MRXNPFEDSA-N 410.287 3.909 0 50 HHAA O=C([C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 475466269 KLVZOWFXYSIQGA-QMGOTOBTSA-N 400.526 3.572 0 50 HHAA CC[C@H]1CCCN1C(=O)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 1875261623 VAKUWGSKJUIBSO-CVDCTZTESA-N 422.525 3.579 0 50 HHAA O=C(NCc1cccnc1-n1cncn1)c1ccc(-c2ccccc2C(F)(F)F)o1 1875261920 FBGXCXHPIWFRGM-UHFFFAOYSA-N 413.359 3.871 0 50 HHAA COC(=O)c1nc2ccc(NC(=O)c3cnn(C)c3Cc3ccccc3)cc2s1 2325825104 DPRCKAYQNIOQOS-UHFFFAOYSA-N 406.467 3.660 0 50 HHAA O=C(O)[C@@]1(F)CN(c2ncnc3[nH]c4cc(Br)ccc4c23)CC12CCC2 2325844808 RIJVOOFUJLZCSA-SFHVURJKSA-N 419.254 3.657 0 50 HHAA COC(=O)Cn1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 663468 NWHDDLPLFRDQAN-RQZCQDPDSA-N 409.829 3.565 0 50 HHAA O=c1c(-c2cc3ccccc3o2)[n+]([O-])c2ccccc2n1OCc1c(F)cccc1F 1110169 VPEWGGONTAKMIG-UHFFFAOYSA-N 420.371 3.955 0 50 HHAA COc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)c(Cl)cc1OCC(N)=O 1122972 YBOLLVWGBSYPRV-OAHLLOKOSA-N 410.857 3.840 0 50 HHAA O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)C1c3ccccc3C2(CO)c2ccccc21 1194627 XJWQXTYMUUIGLZ-YCIYHOANSA-N 415.876 3.883 0 50 HHAA Cc1cc(C)c2c(n1)nn1c(N3CCN(CCc4ccccc4)CC3)cc(C)nc21 2212695 KMNBMLZFOISJHM-UHFFFAOYSA-N 400.530 3.567 0 50 HHAA Cc1ccccc1CCN1CCC[C@H](CN(C)Cc2cccn2-c2ncccn2)C1 11842982 HNWHZIKBMJEVNJ-JOCHJYFZSA-N 403.574 3.962 0 50 HHAA COc1ccc(CNCC[C@@H]2CCC(=O)N2CC2(c3ccccc3)CCOCC2)cc1 12218055 NRARCKVEBDQYNZ-QHCPKHFHSA-N 422.569 3.914 0 50 HHAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccsc1 12373307 GTBAVGKKIMWVSV-SFHVURJKSA-N 403.567 3.803 0 50 HHAA CN(Cc1ccccc1OCCO)CC1CCN(CCc2ccccc2F)CC1 12591869 DSMJIRDABQWBMV-UHFFFAOYSA-N 400.538 3.583 0 50 HHAA c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1 13819807 SKZQZGSPYYHTQG-UHFFFAOYSA-N 400.482 3.774 0 50 HHAA in-vitro COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cccc(O)c3)CC2)c1 14950998 GMWCLEFCBFKAJM-UHFFFAOYSA-N 410.514 3.680 0 50 HHAA O=S(=O)(c1cccc(Cl)c1)N1CCC(CO)(CCOc2ccccc2)CC1 19836128 ZIQOCVLUSQQJJQ-UHFFFAOYSA-N 409.935 3.572 0 50 HHAA COc1cccc(CN2CCN(C3CCN(c4ccccc4C)CC3)C[C@@H]2CCO)c1 19866913 GDIWPBQWHPQJDD-DEOSSOPVSA-N 423.601 3.541 0 50 HHAA COCCN1CCC(CN(Cc2ccncc2)Cc2cc(OC)ccc2F)CC1 55060510 CDFLIKVCMOXGAK-UHFFFAOYSA-N 401.526 3.590 0 50 HHAA CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC[C@H](CC(=O)O)OC 64858983 CQMVTHTYLSWGRI-DDLYRCGZSA-N 412.567 3.736 0 50 HHAA in-vitro FC(F)(F)c1cccc(N2CCN(Cc3nc(COc4ccccc4)no3)CC2)c1 67674018 CLJSOYFWPIOQIB-UHFFFAOYSA-N 418.419 3.990 0 50 HHAA Cc1ccccc1C(=O)Nc1ccnn1C1CCN(c2ncnc3c2CCC3)CC1 67675939 IGEBMMLZDPMJGA-UHFFFAOYSA-N 402.502 3.564 0 50 HHAA COc1cccc(C(=O)COc2ccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)cc2)c1 96487805 FZOQJDREEOYIPJ-NHCUHLMSSA-N 405.450 3.803 0 50 HHAA Cc1ccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)cc1 169754878 HNVGEQDHSQFSRD-UHFFFAOYSA-N 414.303 3.671 0 50 HHAA CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NCCCn1ccc2ccccc21 226848150 YLBAGEAIKPPQEH-IBGZPJMESA-N 411.575 3.788 0 50 HHAA N=c1n(CCN2CCOCC2)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1 253470541 DDNSZTVTMXNQBB-UHFFFAOYSA-N 412.537 3.970 0 50 HHAA Oc1nc(NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)nc2ccccc12 301195433 JXQIPLJNDUFVLK-SFHVURJKSA-N 418.419 3.840 0 50 HHAA CCS(=O)(=O)c1ccc(N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 302735423 ZBAWFKJUQDVLII-OAHLLOKOSA-N 406.523 3.754 0 50 HHAA CC[C@@H](NC(=O)c1ccc(OC)c(N2CCNC2=O)c1)c1ccccc1OC(F)F 460710892 VFLIRDFKQYSKAV-OAHLLOKOSA-N 419.428 3.707 0 50 HHAA COC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)CC1 952962439 AAWSEWDSDMHRDK-JCNLHEQBSA-N 407.470 3.907 0 50 HHAA Cc1nc[nH]c1CN1C[C@@H]2CN(Cc3nccs3)C[C@@]2(CCc2ccccc2)C1 1772804107 GIYWBGUILVVGFC-NFBKMPQASA-N 407.587 3.741 0 50 HHAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857668355 WUFJBZXMQHTBBF-DEOSSOPVSA-N 415.497 3.570 0 50 HHAA COc1ccc(-c2nc(-c3ccc(-c4n[nH]c(C)n4)cc3)no2)cc1-c1ccnn1C 2325736162 ZBVNCRFGPWAENN-UHFFFAOYSA-N 413.441 3.906 0 50 HHAA COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C)cc2C1=O 1060864 VBDVTEYHDJIYMO-UHFFFAOYSA-N 402.406 3.762 0 50 HHAA CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=S 1182404 ADNCJFZRXGOLCZ-QGZVFWFLSA-N 419.909 3.826 0 50 HHAA CCCc1nnc(NC(=O)CSc2nnc3c4ccccc4n(CC)c3n2)s1 2987462 DXDUOSLFEZDBHM-UHFFFAOYSA-N 413.532 3.534 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2cc(C3CC3)on2)C1 11768876 BVXSYUGDQDECJX-QFIPXVFZSA-N 400.450 3.719 0 50 HHAA COc1ccc(OC[C@H]2CCCN(Cc3nc(COc4ccccc4)no3)C2)cc1 11842701 SCIGNYGNHXBDHQ-SFHVURJKSA-N 409.486 3.948 0 50 HHAA O=C(CCC1CCN(C(=O)NCCc2ccccc2)CC1)NCc1ccc(F)cc1 12052371 IEDJXMFUSKETFS-UHFFFAOYSA-N 411.521 3.886 0 50 HHAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCN2CCCC2=O)cc1 12090495 VINMCECDGAJPIF-FQEVSTJZSA-N 408.546 3.676 0 50 HHAA O[C@H](CCc1ccccc1)C1CCN(Cc2nc(COc3ccccc3)no2)CC1 12387063 KIVWYULYTBBGHC-JOCHJYFZSA-N 407.514 3.854 0 50 HHAA COCCN(Cc1ccc(COC)o1)CC1CCN(Cc2ccccc2OC)CC1 12458190 FMCPURNUCXZLBH-UHFFFAOYSA-N 416.562 3.795 0 50 HHAA COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2nonc2C)c(F)c1 12704737 SLNJQBOCFHGXJO-HSZRJFAPSA-N 420.444 3.724 0 50 HHAA CC(=O)NCC[C@H]1CCCCN1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 13595275 CAKGVKYJXZPHAI-QGZVFWFLSA-N 410.440 3.560 0 50 HHAA CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(CCc1ccccc1)CC2 14539400 QLAFULWYGKCFID-UHFFFAOYSA-N 419.525 3.718 0 50 HHAA CC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 14543520 MHUPHIYDTQVUNO-FQEVSTJZSA-N 420.557 3.722 0 50 HHAA CN(Cc1ccccc1)Cc1cc(C(=O)NCc2c[nH]nc2-c2ccccc2)no1 15073985 ICYNRNNMSVZFMD-UHFFFAOYSA-N 401.470 3.627 0 50 HHAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCC(OC)CC2)c1 15074788 DWPPNMRISWSPAF-UHFFFAOYSA-N 416.562 3.732 0 50 HHAA c1ccc(COc2cccc(CN3CCc4nnc([C@H]5CCCO5)n4CC3)c2)cc1 19300358 ZMZILQYCEWKNGE-JOCHJYFZSA-N 404.514 3.767 0 50 HHAA O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1-c1ccccc1)CCCC4 20029331 DFGHJDHZMHCZLP-UHFFFAOYSA-N 418.522 3.711 0 50 HHAA CC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(Cc2ccc4c(c2)OCO4)C3)c1 20999311 RHHJJYQUWDKPSK-UHFFFAOYSA-N 416.477 3.542 0 50 HHAA COc1cc(Cl)cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c1OC 97463733 GLMPSZZIRBGOBQ-NRFANRHFSA-N 418.965 3.734 0 50 HHAA COc1cc(OC)cc([C@@H]2OC[C@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]32)c1 145111449 DTZKTJXOROSTPI-RPHTVSPISA-N 416.470 3.805 0 50 HHAA CCOC(=O)[C@H](NC(=O)c1ccnc(SC)c1)c1c(C)nn(-c2ccccc2)c1C 170591600 MBULYFCAKVUYMP-HXUWFJFHSA-N 424.526 3.640 0 50 HHAA O=C(O)C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(F)cc1F 170592103 UMDUXPYOZBBMOQ-GOSISDBHSA-N 418.421 3.946 0 50 HHAA CCOC(CN(CC(=O)N[C@@H](C)c1ccccc1OC)c1ccccc1)OCC 225388405 BGFULFJHLNPZKT-SFHVURJKSA-N 400.519 3.778 0 50 HHAA COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)c2ccccc21 225476034 GZRQSBJSAMOMFO-LJQANCHMSA-N 424.522 3.963 0 50 HHAA C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(=O)N[C@H]1CCCC[C@H]1C 252517114 ZUOJLEWMULMDKS-FHIRATQRSA-N 403.504 3.758 0 50 HHAA C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@]4(CCCc5ccccc54)C3)ccc2N1C 439994349 JXFMRGDFYVHFHN-CRICUBBOSA-N 403.526 3.974 0 50 HHAA Cc1cccnc1CN1CCN(Cc2ccccc2OCCN2CCC[C@@H](C)C2)CC1 822413168 LNQKWRSWCYBUCL-JOCHJYFZSA-N 422.617 3.819 0 50 HHAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NCCN1CCC[C@@H](CO)C1 828711141 JJPQPCCHVGZPKO-HXUWFJFHSA-N 422.525 3.754 0 50 HHAA Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 1506407468 SHVXUFDSGQKMRA-UHFFFAOYSA-N 400.526 3.750 0 50 HHAA Cc1cc(C(=O)N2CC[C@H]3[C@@H](C2)CN3Cc2ccc(F)cc2C)c2c(C)noc2n1 1772816591 WNHLIEVUFXBGRR-PXNSSMCTSA-N 408.477 3.634 0 50 HHAA CN(C)C[C@H]1[C@H]2CN(C(=O)c3ccc(CSc4ccccc4)o3)C[C@]23CC[C@H]1O3 1857722939 QIVDBKSHUZGNHF-DZCCDHAISA-N 412.555 3.753 0 50 HHAA Cc1csc([C@@H](C)N2CCN(C(=O)c3ccc(OCc4cccnc4)cc3)CC2)n1 1875263134 CMOZZQLRHSEODX-GOSISDBHSA-N 422.554 3.945 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@@H](c2cccc(OC)c2)c2ccccc2Cl)CC1 1875369253 CZVHWDVCIXLRMI-QFIPXVFZSA-N 412.917 3.979 0 50 HHAA Cn1c(C(=O)N[C@H](C(=O)O)c2ccccc2F)c(Br)c2ccccc21 2325726068 PNZHZSKIIOLGLL-HNNXBMFYSA-N 405.223 3.636 0 50 HHAA O=C(C1CC=CC1)N1CCC[S@](=O)(=NC(=O)C2(Sc3ccccc3)CC2)CC1 2332238205 FTLYDZKQQZJCKZ-MUUNZHRXSA-N 418.584 3.504 0 50 HHAA Cc1cnc2c(C(=O)N3CCC[C@@]4(CCc5cnc(-c6ccccc6)nc54)C3)cnn2c1 2356155718 KTVDGUVETKHSNB-RUZDIDTESA-N 424.508 3.615 0 50 HHAA CCOC(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C(=O)OCC)c1C 1102622 NBRUVVGRDJAFIW-UHFFFAOYSA-N 421.471 3.679 0 50 HHAA CCOc1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 1151585 KBFDIMMSWBGVQU-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA Cc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 1152088 UDANQTLTMFDQAL-SFHVURJKSA-N 412.795 3.915 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc(Cl)c2)cc1 1435817 XAGIWTJVXSPYFL-UHFFFAOYSA-N 415.902 3.877 0 50 HHAA CCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)O)cc1)N(C(C)=O)c1ccccc1-2 6577892 QQINSVUBRYKWKV-LJQANCHMSA-N 422.466 3.793 0 50 HHAA O=C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CCN1Cc1cccnc1 11881895 WSCIRFHDGJOMKZ-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA CC(C)Cn1cc(C(=O)N[C@H](C)c2cccs2)c(=O)c(C(=O)N2CCCCC2)c1 11911455 PEOKRIFUSFZDNW-MRXNPFEDSA-N 415.559 3.683 0 50 HHAA CC(=O)c1cc(C(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4cnccn4)c3O2)cs1 12079020 ZVPSFNYZNKZBHA-HNNXBMFYSA-N 413.886 3.795 0 50 HHAA O=C(NCCCc1ccncc1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12448749 PXGRQUCOZWTIHD-GOSISDBHSA-N 419.447 3.588 0 50 HHAA CCN(CC)[C@@H]1CCN(C(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)C1 12701668 KSXGDLMWXICOPA-LJQANCHMSA-N 407.514 3.984 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)NCc2ccco2)C1 17082866 KDJSMHNUTKJPSF-GFCCVEGCSA-N 404.488 3.589 0 50 HHAA CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCCC3)[C@@H](C(=O)O)C1 17090747 BUMRHLINJSWVEU-HOTGVXAUSA-N 416.543 3.905 0 50 HHAA Cc1oc(-c2cccc(Cl)c2)nc1CN(Cc1cccnc1)C[C@@H]1CCC(=O)N1 19228517 JSGYRFBCEMWHMA-IBGZPJMESA-N 410.905 3.979 0 50 HHAA OCC[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1Cc1ccccc1 23360408 ABXUNKFPSUJBEL-HSZRJFAPSA-N 422.960 3.866 0 50 HHAA COc1cc(F)ccc1CN1CCC[C@@H](N(C)CCc2ccc(OC)c(OC)c2)C1 23375308 MXZHMJXBRQHIJN-OAQYLSRUSA-N 416.537 3.990 0 50 HHAA CCc1[nH]c2c(CNC(=O)Cn3nc(C)c4ccccc4c3=O)cc(C)cc2c1C 71746645 MHAHEFZKFWCQQW-UHFFFAOYSA-N 402.498 3.682 0 50 HHAA CCc1c(C(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)csc1C 91894324 REZCLIUGPQAWKU-QGZVFWFLSA-N 404.576 3.643 0 50 HHAA CCOc1ccccc1CN1CCN(C/C=C/c2ccc(OC)cc2)C[C@H]1CCO 105272272 XUWLTMUIQIJSIZ-BMOUEYTDSA-N 410.558 3.676 0 50 HHAA O=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1ccc(OC(F)(F)F)cc1 169778667 QPCWYPTWISRMFA-UHFFFAOYSA-N 413.359 3.620 0 50 HHAA O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1CN1CCC[C@H]1CO 225414072 QZBGWHXOWHIDJF-VXKWHMMOSA-N 423.582 3.802 0 50 HHAA O=C(Nc1ccc(Cl)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 238882184 CPXQMCOXMAZFDU-WPCMGHOJSA-N 420.896 3.697 0 50 HHAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2nc3ccccc3s2)CC1 238899342 FVZDEXGYAGFZKO-SHTZXODSSA-N 419.510 3.846 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 239175768 QPORCUBZEUUYNN-LZPUHMRESA-N 418.559 3.683 0 50 HHAA COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccccc5OC)no4)c3CO2)cc1 263615743 DZUKSGWNIFXUCV-LJQANCHMSA-N 404.426 3.889 0 50 HHAA CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@H](N1CCN(C2CCCC2)CC1)C3 299765803 BNHHESRVPQEFHM-SFHVURJKSA-N 414.619 3.532 0 50 HHAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 408717969 ILWKXDYXDLNBLE-UHFFFAOYSA-N 403.306 3.952 0 50 HHAA CCN1CCN([C@@H]2CCN(C(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)CC1 436636542 RIQQTARMSSXNKU-LJQANCHMSA-N 415.622 3.839 0 50 HHAA O=C(NCC(=O)N1CCc2ccccc2C1)c1ccc(-c2ccc(F)cc2)cc1F 729949897 XYJPSPVIXMBAAH-UHFFFAOYSA-N 406.432 3.947 0 50 HHAA CN(c1ccc(C(=O)N2CCCC[C@@H]2CCc2cccs2)cc1)S(C)(=O)=O 952984805 SHCXXGFXSJPTGA-GOSISDBHSA-N 406.573 3.771 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2Cc3ccccc3O[C@H](C)C2)(c2ccccc2)CC1 1450549279 HKUVORKECOTDGO-LJQANCHMSA-N 404.510 3.543 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@@H](C)Oc2ccccc2OC)CC1 1704344485 SJIZGWXMTYMGAW-QGZVFWFLSA-N 411.498 3.562 0 50 HHAA OCC1(Cn2ccnc2-c2ccccc2OCCCN2CCCCC2)CCOCC1 1857673194 OSLCNOTZKAGLKQ-UHFFFAOYSA-N 413.562 3.594 0 50 HHAA CC(=O)N1CCC[C@@]2(CCc3c(N(C)Cc4ncccc4C)nc(C4CC4)nc32)C1 1875244799 VKCUSAWCWZTATO-XMMPIXPASA-N 405.546 3.520 0 50 HHAA C[C@@H](C(=O)Nc1cccc(C(=O)Nc2cnccn2)c1)[C@H]1OCCc2sccc21 1875253333 GRFSWDMOFXWCJD-BFUOFWGJSA-N 408.483 3.679 0 50 HHAA C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NC[C@H](CO)Cc1ccccc1F 1875261052 SQNFVYGJGJTSGL-GOEBONIOSA-N 412.427 3.926 0 50 HHAA COc1cc(CC(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)ccn1 1875342745 FPQXQGZAKWRNPQ-OAQYLSRUSA-N 403.473 3.643 0 50 HHAA COc1ccc(OC)c2c1CN(C(=O)c1ccc3c(c1)C(=O)CCC3(C)C)C[C@@H]2O 2325862325 QFYNFEWEADXXDC-IBGZPJMESA-N 409.482 3.647 0 50 HHAA CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 987056 XMHHGYPRQUYKSK-UHFFFAOYSA-N 402.516 3.758 0 50 HHAA O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NC1CCCCC1 1162547 DUMOMXFJDHZCTN-UHFFFAOYSA-N 420.962 3.980 0 50 HHAA COc1cccc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)c1OC 2470620 MESFHDUNGYZOCX-HXUWFJFHSA-N 424.482 3.722 0 50 HHAA CCOC(=O)Cc1nnc(NC(=O)[C@@H](CC)Sc2nc3ccccc3s2)s1 2492107 YDGYOLCXHCJWKB-LLVKDONJSA-N 422.557 3.763 0 50 HHAA CCOC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2C1=O 5022941 REGNSQQPGRGFAB-QGZVFWFLSA-N 421.902 3.609 0 50 HHAA Cn1nnnc1SCCCNCc1cc(Cl)ccc1OCc1ccccc1F 8654591 JHCWGQKLJOGGAR-UHFFFAOYSA-N 421.929 3.854 0 50 HHAA CC[C@@H](NC(=O)c1ccc(-n2cc(NC(C)=O)cn2)cc1)c1nc2cc(C)ccc2[nH]1 11784677 BGWNXDMENOTJKI-LJQANCHMSA-N 416.485 3.897 0 50 HHAA COc1cccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)c1OC 11815585 HXTSTXIRLUJHFJ-SFHVURJKSA-N 414.521 3.870 0 50 HHAA COc1cc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc2c1OCO2 11934118 ZAGAYOJZYQAPMC-QFIPXVFZSA-N 403.906 3.895 0 50 HHAA O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@](CO)(CCc2ccccc2)C1 12073169 YAVRKJAAPSAXDB-VWLOTQADSA-N 406.526 3.661 0 50 HHAA O=S(=O)(c1c(F)cccc1F)N1CCC(CO)(CCCc2ccccc2)CC1 12200459 KAFBPDKTBRAQJS-UHFFFAOYSA-N 409.498 3.751 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)[C@H]2CCCO2)CC1 12307948 RYYAINPRCBNBDB-XMMPIXPASA-N 407.558 3.810 0 50 HHAA Cc1n[nH]c(SCCNC(=O)c2csc3nc(-c4ccccc4Cl)cn23)n1 12442915 ARAGNYKUVMVGNZ-UHFFFAOYSA-N 418.935 3.665 0 50 HHAA O=C(NCCc1ccccc1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O 15067557 VBCKXVDKUZLZEV-UHFFFAOYSA-N 421.541 3.562 0 50 HHAA Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)Cc4cccs4)CC3)cc2)n1 15076883 MBSFQRXUPJKWKF-UHFFFAOYSA-N 422.554 3.970 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)c1 18202786 WNZDBUBAODIDHW-AEFFLSMTSA-N 420.465 3.802 0 50 HHAA O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccc(F)cc2)CC1 19731894 CJVDGQNXVPOXBG-RHCLBKJASA-N 416.581 3.932 0 50 HHAA COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C(C)=O)(c4ccccc43)[C@H]2C1=O 22341184 INRWUTFSANKZBQ-AYIBLLACSA-N 423.468 3.835 0 50 HHAA biogenic O=C(CSc1ccccc1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55118803 YWKAGYKYHXGLSK-NRFANRHFSA-N 413.562 3.731 0 50 HHAA Cc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 100755078 ARIQFBWPURCKEM-SFHVURJKSA-N 419.872 3.949 0 50 HHAA COc1ccccc1N1CCC(N2CCN(Cc3ccccc3C)[C@H](CCO)C2)CC1 105625720 UWPBSMRLJVODTO-XMMPIXPASA-N 423.601 3.541 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@@H]2C=Cc3cc(C)ccc3N21 137293305 JRJFEBNWTRACFP-ZZLPTCMGSA-N 400.478 3.591 0 50 HHAA O=C(Cn1nc2c(cc1=O)CCCCC2)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 169774373 UYHQDDJZNAJZPX-IBGZPJMESA-N 424.932 3.841 0 50 HHAA O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCN(CC(F)(F)F)C1=O 170625512 LIRNICNSKAJZSM-FXMSTWTQSA-N 414.733 3.651 0 50 HHAA COc1cc2c(cc1OC)[C@@H]1C[C@H](OC(=O)[C@H](N)C(C)C)[C@@H](CC(C)C)CN1CC2 197586718 GEJDGVNQKABXKG-QUZFRVLNSA-N 418.578 3.564 0 50 HHAA Cc1ccc(C(=O)COc2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)c2)cc1 239403114 RNDYWWHMPXGAFG-IFQWMDHTSA-N 413.473 3.814 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 245311971 RDSZSZCWVRPPOI-CJRSTVEYSA-N 408.457 3.819 0 50 HHAA CC(=O)c1c(C)nn(CC(=O)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c1C 827864629 PTDVGVNIQNLNLB-DEOSSOPVSA-N 411.546 3.736 0 50 HHAA C[C@H](Cn1cncn1)C(=O)N(C)CCCN1c2ccccc2CCc2ccccc21 952962343 APNUHJYXBHRCKG-LJQANCHMSA-N 403.530 3.700 0 50 HHAA COc1cccc([C@H]2CCN(C3CCN(C(=O)c4cccs4)CC3)C2)c1OC 952987599 KGOBKUZOYQTWJK-INIZCTEOSA-N 400.544 3.859 0 50 HHAA Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)c1cc(-c2cnn(C)c2C)on1 1940196077 IHJCTPPSPJDQNG-UHFFFAOYSA-N 410.865 3.842 0 50 HHAA CO[C@H](C)C(=O)N1CCN(C(=O)[C@H](C)c2ccc(-c3ccccc3Cl)cc2)CC1 2325828209 BAFIEFPWUSLRGL-IAGOWNOFSA-N 414.933 3.816 0 50 HHAA Cc1cccc(OC[C@@H](O)CNCc2cnn(Cc3ccccc3C(F)(F)F)c2)c1 2325870083 IVJWHHCWEPNNCJ-IBGZPJMESA-N 419.447 3.788 0 50 HHAA COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 951430 VJFUCFMAKOKBKX-NRFANRHFSA-N 414.461 3.850 0 50 HHAA O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1ccc2c(c1)OCO2 1057968 CWFOJPSYSFWCSF-UHFFFAOYSA-N 424.438 3.639 0 50 HHAA Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1156325 MQAPCLVIFOKHQU-UHFFFAOYSA-N 410.898 3.827 0 50 HHAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)oc1C 2857213 NGYGMEYRETYGRI-LJQANCHMSA-N 421.449 3.540 0 50 HHAA COc1ccc(C(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1OC 4704871 GUSMHBVMRLLBCV-UHFFFAOYSA-N 416.905 3.526 0 50 HHAA Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CN(C)Cc2ccncc2)cc1C 11667802 DXPPOKPVHLWFJP-JOCHJYFZSA-N 403.530 3.510 0 50 HHAA CO[C@@H](C(=O)NC[C@@H]1CCC2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1 11998358 XHUGRGRARYVJTQ-XZOQPEGZSA-N 408.542 3.704 0 50 HHAA CSc1ccccc1NC(=O)COc1ccc(-c2ncccn2)cc1CN(C)C 12218823 IFQRBNBBFOYSAW-UHFFFAOYSA-N 408.527 3.945 0 50 HHAA COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@H](O)CN(C)C(C)C 12713411 SKDABFLQZRSZOX-HXUWFJFHSA-N 406.954 3.718 0 50 HHAA Cn1ccnc1CN1CCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 19228737 QYWXKBNRZJLGCP-UHFFFAOYSA-N 412.541 3.795 0 50 HHAA O[C@H](COc1ccc2oc3c(c2c1)CCCC3)CN1CCN(c2ccccc2)CC1 19606699 WNGKKNSUHAHMOK-FQEVSTJZSA-N 406.526 3.874 0 50 HHAA CC(C)n1cc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 23361122 XVZZYMNHLIPKHA-JOCHJYFZSA-N 401.986 3.904 0 50 HHAA CCOc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OC 65363040 ISNHQCMSPZFIEO-CYBMUJFWSA-N 413.865 3.506 0 50 HHAA COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(Cc1cc(C)n[nH]1)CC2 67847077 OUCARQKGXGUVOY-UHFFFAOYSA-N 404.514 3.856 0 50 HHAA O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 169680864 KVPDPAYJXWEZAU-VBQJREDUSA-N 414.836 3.609 0 50 HHAA Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1nc2ccccc2n1-c1ccccc1 225551813 BJLKJTYMFGJEAG-UHFFFAOYSA-N 401.879 3.522 0 50 HHAA Cc1cccc(C(NC(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)c2cccc(C)c2)c1 1312205060 TYHDWOWDEBHRIO-IBGZPJMESA-N 405.502 3.806 0 50 HHAA COc1ccc(NC2(C(=O)N(C)Cc3nc(-c4cccnc4)no3)CCCCC2)cc1 1506429411 SMDCFZZGMWIAKM-UHFFFAOYSA-N 421.501 3.914 0 50 HHAA COc1cccc(Cn2nc(-c3cc[nH]n3)nc2[C@@H]2COc3c(F)cc(F)cc3C2)c1 1875349425 WSTMRQUTSFPKHO-HNNXBMFYSA-N 423.423 3.722 0 50 HHAA Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1ccccc1 2356155634 KOXMDQOQZWBBTN-LDVJMBRRSA-N 404.558 3.651 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc4cc(OC)ccc4[nH]3)C2)c2cccc(=O)n21 2356157051 CAXSKNQWHVDROI-FVJLSDCUSA-N 405.498 3.939 0 50 HHAA COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 781878 RBBNPRUAMRZUML-NRFANRHFSA-N 404.422 3.726 0 50 HHAA COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 5400055 LTUOTYRNXNKLPL-UHFFFAOYSA-N 403.360 3.576 0 50 HHAA CCCCOc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 5590982 KOEYERZSOSUMRL-CYBMUJFWSA-N 410.923 3.657 0 50 HHAA CCc1ccc(-c2c(C)sc(NC(=O)C3CCN(C(C)=O)CC3)c2C(N)=O)cc1 6730690 DXIJVFMRSULEAF-UHFFFAOYSA-N 413.543 3.582 0 50 HHAA CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1c[nH]nc1-c1ccc(F)cc1 11784763 ZBKVTOSRTDDLNF-HKUYNNGSSA-N 408.502 3.927 0 50 HHAA COc1cc(CNc2nc(C)c(-c3ccn([C@H]4CCOC4)n3)s2)cc2c1OCO2 11815010 RDKWQJIXWIFOMM-AWEZNQCLSA-N 414.487 3.626 0 50 HHAA COC[C@H](C)Oc1cccc(CN(C2CC2)S(=O)(=O)c2ccc(F)cc2F)c1 12155447 AJWMCOAFCUSAKU-AWEZNQCLSA-N 411.470 3.732 0 50 HHAA Cc1nc(CC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 12572369 ZYNYKMHRXXFHNG-INIZCTEOSA-N 419.978 3.983 0 50 HHAA O=C(Nc1nnc(C(F)(F)F)s1)C1CCN(C(=O)c2ccccc2Cl)CC1 12863539 MGIDRSQMNSUTTG-UHFFFAOYSA-N 418.828 3.701 0 50 HHAA CN(Cc1cccc2ncccc12)C(=O)CC[C@]1(Cc2ccccc2)CCC(=O)N1 14994352 JWFWVXVEOMVUJN-VWLOTQADSA-N 401.510 3.865 0 50 HHAA Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N[C@H](C)c1ccccc1 18116913 LRDUCSYAQVBLJK-MRXNPFEDSA-N 419.506 3.938 0 50 HHAA CCCOc1c(OC)cccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 18283457 VOTNROPTMJPEHS-IBGZPJMESA-N 411.527 3.916 0 50 HHAA CC(=O)N1CCC(N2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 20586787 LJYRHOWTJXDMTI-QFIPXVFZSA-N 422.529 3.678 0 50 HHAA COc1cc(-c2n[nH]cc2CN2CCN(C)C[C@@H]2c2ccccc2)cc(OC)c1OC 20598700 SDXNCQDFXXVQOQ-HXUWFJFHSA-N 422.529 3.591 0 50 HHAA COc1ccc(F)c(CN2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 20821170 MLLKSGHPZNWZPF-LJQANCHMSA-N 413.537 3.923 0 50 HHAA O=C(Nc1ccnn1C1CCN(Cc2cccc3nonc23)CC1)c1ccccc1 55383229 IJORGOCEGBDUNO-UHFFFAOYSA-N 402.458 3.509 0 50 HHAA Cc1cccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)c1C 101686150 BEKSZZADERJDGR-IRFCIJBXSA-N 412.555 3.804 0 50 HHAA C[C@H](Cc1ccccn1)NC(=O)CN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 104551300 MQHBGPRSMNSLFP-HOYKHHGWSA-N 419.500 3.904 0 50 HHAA CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 170629963 OTVZKCKLQUMQMA-JTQLQIEISA-N 406.367 3.879 0 50 HHAA Cn1cccc1C(=O)N1CCCC[C@H]1CCOC(=O)c1ccc(CN2CCCC2)cc1 225388155 YLSPPSAHOKWCCI-QFIPXVFZSA-N 423.557 3.863 0 50 HHAA O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(F)c(Cl)c4)C(=O)[C@H]13)O2 239203126 RUESWPWEMQHVKE-GHDARCQNSA-N 413.832 3.509 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)cc1 1875374090 ZYWKRAGFINLHTM-NRFANRHFSA-N 420.509 3.917 0 50 HHAA CC[C@H](C)c1cc(C(=O)NCC(C)(C)CNC(=O)c2cc([C@H](C)CC)no2)on1 2325736321 UVTAFDIRUUBSEH-OKILXGFUSA-N 404.511 3.876 0 50 HHAA O=C(NCCCCn1cc(-c2cccc(F)n2)nn1)C(F)(F)/C=C/c1ccccc1 2325870639 IJBPDBNPLSJSOU-VAWYXSNFSA-N 415.419 3.724 0 50 HHAA O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc2c(c1)OCO2 916925 WGEMIXYCMPEKTB-OAHLLOKOSA-N 410.373 3.876 0 50 HHAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 1130302 FVTYPYNFUROIHS-UHFFFAOYSA-N 405.834 3.709 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(Cl)c(OC)c(OC)c1 1169013 HGCKKFMSIKZJHO-GOSISDBHSA-N 416.861 3.686 0 50 HHAA Cc1cc(=O)oc2cc(OC(=O)CCCCCN3C(=O)c4ccccc4C3=O)ccc12 1748812 PKHXZCADQSXUCF-UHFFFAOYSA-N 419.433 3.863 0 50 HHAA biogenic CCn1ncc(Cl)c1CN(C)C(=O)c1ccnn1COc1ccc(Cl)cc1 2800680 XDSXKRAVSAKFMV-UHFFFAOYSA-N 408.289 3.715 0 50 HHAA O=C(NCCNC(=O)c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F 2962475 KHZMGJMNMJBVPG-UHFFFAOYSA-N 404.310 3.884 0 50 HHAA CCCCNC(=O)c1cn(C(C)C)cc(C(=O)N2CCCC[C@H]2c2cccnc2)c1=O 12134342 SUCVFHPEQAOGMG-NRFANRHFSA-N 424.545 3.722 0 50 HHAA O=C(NC[C@@H]1CCCN(C2CCN(c3ccc(F)cc3)CC2)C1)c1cccs1 12319020 DUYSNMGJQSVZOP-KRWDZBQOSA-N 401.551 3.998 0 50 HHAA CN(Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1)Cc1nc2ccccc2o1 12438722 UAJMOVQIPDFGJU-FQEVSTJZSA-N 409.530 3.685 0 50 HHAA CC[C@H](C)Nc1cnc2c(c1)c(NC(=O)c1ccco1)c(C(=O)OC)n2CCOC 14535232 LNUXLUHGVSYITH-ZDUSSCGKSA-N 414.462 3.525 0 50 HHAA CSc1ccc(CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1 15075962 OWXPGKLVPBZIGN-IBGZPJMESA-N 403.636 3.953 0 50 HHAA Cc1ccccc1CCN1CCC(CN(C(=O)Cc2nonc2C)C2CCCC2)CC1 15076437 ZVJXCKKJQZCQGD-UHFFFAOYSA-N 424.589 3.955 0 50 HHAA CCn1ncc(CN2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1C 20109475 KQPOQBPHKVAOMU-QFIPXVFZSA-N 401.986 3.651 0 50 HHAA O=C(CSc1ccncc1)NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1 20322324 OQDCSOBXEAYNKJ-QHCPKHFHSA-N 419.550 3.926 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCN([C@H]3CCc4ccccc4C3)CC2)cc1F 20999087 KHWAWUHSFXSGSX-QFIPXVFZSA-N 420.532 3.900 0 50 HHAA c1ccc(CCCN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 23359077 GAAXCNYMVQFBCH-DEOSSOPVSA-N 421.585 3.630 0 50 HHAA C(=C/c1nn2c(CN3CCN(c4ccccc4)CC3)nnc2s1)\c1ccccc1 65364412 WVCPEDXPMJJHDK-VAWYXSNFSA-N 402.527 3.678 0 50 HHAA C[C@@H]1CC[C@@H](C)N1C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 67842186 ZXMPYKDLETUUCD-WOPDUGCTSA-N 408.546 3.519 0 50 HHAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 95530697 GVNPBUFAWQVMKO-DEOSSOPVSA-N 404.466 3.742 0 50 HHAA CCCN1CCN(c2ccc(NC(=O)COc3ccccc3F)c(OCC)c2)CC1 170606083 WGGDMXUEFVQZJK-UHFFFAOYSA-N 415.509 3.774 0 50 HHAA C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(=O)N[C@@H]1CCCC[C@@H]1C 225428351 ZUOJLEWMULMDKS-ZJOBFFGXSA-N 403.504 3.758 0 50 HHAA COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cc1Cl 230208102 LNQHBBQGMXBOHP-YJBOKZPZSA-N 402.926 3.733 0 50 HHAA biogenic CCN(C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)[C@H]1CCN(c2ccccc2)C1=O 252507143 ZOJDKXVZJKXSIA-HBGVWJBISA-N 405.498 3.549 0 50 HHAA COc1ccc([C@@H]2CCCN2C(=O)CCc2nc(O)c3ccccc3n2)cc1OC 253613635 VSTXDBCPSKANFS-SFHVURJKSA-N 407.470 3.649 0 50 HHAA Cc1ccsc1CNc1nc(C)c(-c2ccn(CCN3CCOCC3)n2)s1 299769075 MKJFYKZXHYLIJP-UHFFFAOYSA-N 403.577 3.629 0 50 HHAA O=C(CCCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)Nc1nccs1 334161896 KOBZCPGJJIPZLV-UHFFFAOYSA-N 416.478 3.938 0 50 HHAA O=C(c1cc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)c[nH]1)N1CCCC1 429303470 CYEPLEGGMZZOQT-UHFFFAOYSA-N 407.561 3.840 0 50 HHAA O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cnc2c(F)cccc2c1 498135103 KOALFCSFTWKFTM-QGZVFWFLSA-N 401.800 3.702 0 50 HHAA CCn1cc(NC(=S)Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cn1 726121289 FMGVCUZJMJFETM-UHFFFAOYSA-N 410.528 3.590 0 50 HHAA COc1ccc(OC)c([C@@H](C(=O)O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c1 1506402474 NUTFSCLKUOQGMG-NRFANRHFSA-N 409.486 3.894 0 50 HHAA O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857738692 UGNGBIWZXNBOJU-CZUORRHYSA-N 422.369 3.659 0 50 HHAA COc1ccc(-c2nc(-c3ccc(N4CCC(N)CC4)nc3)no2)c2sccc12 1875334829 GUARYSUUOKNRIF-UHFFFAOYSA-N 407.499 3.949 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cncc(F)c4)C3)[C@@H]3CCCCN23)c1 2356141159 WXCZPCHRZDYHHE-SHBJFUFKSA-N 423.532 3.787 0 50 HHAA O=C1N(C2CC2)CCC[C@]12CCCN2Cc1cnc2c(-c3ccccc3)cnn2c1 2356166521 BIBZQHGTIYDBKR-XMMPIXPASA-N 401.514 3.516 0 50 HHAA CC(C)Oc1cccc(CCNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)c1 2356167468 PNAIQNNTXIBQGK-RPWUZVMVSA-N 424.541 3.510 0 50 HHAA C[C@@H](NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 1059826 YYNTYFZCCFQKLA-MRXNPFEDSA-N 420.490 3.522 0 50 HHAA COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(C(C)C)cc2)c1 4710848 BFYPKKABCKBRAY-UHFFFAOYSA-N 423.513 3.517 0 50 HHAA COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(Br)c1O 9296043 IKKYBRGQZFKKNT-ZROIWOOFSA-N 419.300 3.768 0 50 HHAA Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)c1ccc(-n3cccn3)cc1)C2 11972010 OFVSMAVRMSIQPC-NRFANRHFSA-N 410.477 3.976 0 50 HHAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)C(=O)CCc1ccccc1 12004183 JKWJECJZNUUZCQ-NRFANRHFSA-N 410.533 3.741 0 50 HHAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCCN2CCCCC2=O)cc1C 12298528 PTYUDJAGLRKKDD-NRFANRHFSA-N 408.546 3.775 0 50 HHAA COc1cccc(N2C[C@@H]3C[C@@H](c4nc5c(s4)CCCC5)N4CCC[C@@]34C2=O)c1 12303014 VBPVOYNZXYDIJN-FOMLIJIXSA-N 409.555 3.973 0 50 HHAA CCC(=O)Nc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1 16579204 QAFHFRFIWGEVRB-UHFFFAOYSA-N 401.894 3.660 0 50 HHAA CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)c1C(=O)NC1CC1 17082927 IPGQQYQCIHVJOH-HOTGVXAUSA-N 404.532 3.897 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccncc1)C[C@@H](NCc1ccccc1F)CC3 19835714 KOZATFDWLFWCKV-KRWDZBQOSA-N 420.513 3.688 0 50 HHAA COc1ccc(F)c([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)c1 20207753 XMBQAQFJJRDWMU-JBUDQFAYSA-N 410.489 3.781 0 50 HHAA CN1CCC(N(CC2CCN(Cc3ccccc3F)CC2)C[C@H]2CCCO2)CC1 20540195 UUNYSQSATRMLON-HSZRJFAPSA-N 403.586 3.613 0 50 HHAA CCOC(=O)C(CCOCCOc1c(C)cc(Cl)cc1Cl)C(=O)OCC 22147829 WZBZMSYPDYOJDU-UHFFFAOYSA-N 407.290 3.830 0 50 HHAA Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)c2cccc(-n3nnnc3C)c2)c1 55384796 RUXDXPAQMQIDKD-UHFFFAOYSA-N 412.453 3.784 0 50 HHAA Cc1cc(-n2cccn2)ccc1CN1CCN(Cc2ccccc2C)[C@H](CCO)C1 104450191 DYMOQTRCRHWMGE-RUZDIDTESA-N 404.558 3.558 0 50 HHAA CCOc1cc(C(N)=O)cc(I)c1OCc1ccc(F)cc1 216835180 WFLFIUUNXQXEPG-UHFFFAOYSA-N 415.202 3.507 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(C(=O)NN3C(=O)[C@@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)csc2C1 229963793 ZHSWUZFFHSBULE-DTAKHTCKSA-N 412.555 3.741 0 50 HHAA COC(=O)[C@H](NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(C)C 252502444 UQMYCQOKWIYTOK-LSDHHAIUSA-N 402.318 3.819 0 50 HHAA CCN(C[C@H]1CCCO1)c1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl 301279983 ZRWRKXBXQCRFKY-CQSZACIVSA-N 401.816 3.910 0 50 HHAA CC1(C)CCc2ccccc2[C@@H](NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 442968670 SVQMJSUSPPCKQK-CYFREDJKSA-N 405.498 3.575 0 50 HHAA COc1ccccc1[C@H](CNC(=O)c1c(Cl)nc2ccccn12)N1CCCCC1 918346675 AJNCQJQOFSSCSU-KRWDZBQOSA-N 412.921 3.953 0 50 HHAA CC1CCN(C(=O)COc2ccccc2CN2CCO[C@H](c3ccccc3)C2)CC1 952977958 JZRDWJGRJDCMRU-DEOSSOPVSA-N 408.542 3.897 0 50 HHAA COc1cccc([C@@H]2CCN(C3CCN(C(=O)c4cccs4)CC3)C2)c1OC 952987603 KGOBKUZOYQTWJK-MRXNPFEDSA-N 400.544 3.859 0 50 HHAA COc1ccc2cc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)sc(=O)c2c1OC 1848442287 JPQYMKOGGSXDME-LLVKDONJSA-N 409.467 3.646 0 50 HHAA Cc1ccc2c(-c3nc(-c4ccncc4)nn3[C@@H]3CCS(=O)(=O)C3)csc2c1 1875348000 FEUWTXBCKYAJDG-OAHLLOKOSA-N 410.524 3.890 0 50 HHAA O=C(CCC(F)(F)F)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356154271 PIKYLQHVHGSIEO-AOIWGVFYSA-N 404.432 3.920 0 50 HHAA Cc1ccccc1CNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 832080 BSIORSFTOVLFDJ-UHFFFAOYSA-N 424.522 3.870 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2Cl)cc1 879908 NZECADUTVBUSJE-UHFFFAOYSA-N 418.902 3.753 0 50 HHAA C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 1125579 YUOBYSBUSXEGJC-DZGCQCFKSA-N 408.955 3.835 0 50 HHAA Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1cccc(F)c1 2888852 SGTWBOIZKIGMHQ-UHFFFAOYSA-N 420.506 3.763 0 50 HHAA CN(C)C[C@](C)(O)c1ccc2c(c1)CN(C(=O)c1ccc(-c3ccco3)cc1)CCO2 11965228 POQWDJSAURJJGJ-VWLOTQADSA-N 420.509 3.751 0 50 HHAA COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](N(C)CC(C)C)C4)c1 12041184 BPGOJUNFWXJYFX-QGZVFWFLSA-N 411.571 3.960 0 50 HHAA COc1ccc(C(=O)NCCc2nnc(SCc3cccc(Cl)c3)n2C)cc1 12150484 DZPICNIGQNXLIU-UHFFFAOYSA-N 416.934 3.742 0 50 HHAA COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)[C@@H]1CCCO1)C2 12247178 BHTDSVBKZZWSFL-NRFANRHFSA-N 404.466 3.810 0 50 HHAA Cc1cccc(CN2CCC([C@@]3(Cc4ccccc4Cl)NC(=O)NC3=O)CC2)c1 12281583 ZJARQAJOWNHFJS-HSZRJFAPSA-N 411.933 3.681 0 50 HHAA CCN(CC)C[C@H](O)COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC 12458775 STHSWXSNKDMFNY-FQEVSTJZSA-N 404.526 3.514 0 50 HHAA CC(=O)N[C@@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl 13571492 QEZYOGNIHUALAR-VIFPVBQESA-N 419.559 3.568 0 50 HHAA O=C(O)c1cc(NC(=S)NC(=O)c2ccccc2Br)ccc1Cl 13943144 QRLLMOAMMRXRCB-UHFFFAOYSA-N 413.680 3.928 0 50 HHAA Cc1cnc(SC[C@H]2CCCO2)nc1[C@H]1CCCN(C(=O)c2cncs2)C1 14959443 JICUVYMSBXIRBL-LSDHHAIUSA-N 404.561 3.532 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cc3cccs3)C2)c1 14972239 JOESRLRZPKUCLB-KRWDZBQOSA-N 400.544 3.634 0 50 HHAA CCc1ccc(CN(C)C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)cc1 14994714 VULGSPADRKFLLX-QHCPKHFHSA-N 412.917 3.578 0 50 HHAA OCC[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CCN1Cc1ccccc1 19595414 ZHIVGRALHDLEIU-NRFANRHFSA-N 410.949 3.595 0 50 HHAA COc1ccccc1-n1c(=O)n(Cc2cccc(C)c2)c(=O)c2c(C)cc(C)nc21 20408122 LILFECGUTIOJEM-UHFFFAOYSA-N 401.466 3.530 0 50 HHAA CC(C)N[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(Cc2cccc(Cl)c2)C1 23338584 CCPSLJLLGMMNIU-UNMCSNQZSA-N 417.956 3.779 0 50 HHAA CC(=O)c1ccc(NC(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 55270243 VSOKGLAEAMIXDI-HSZRJFAPSA-N 406.530 3.708 0 50 HHAA O=C(N[C@@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1ccc(Br)cc1 169754169 BEDFJXFOCKSEFL-CQSZACIVSA-N 417.332 3.909 0 50 HHAA CN(CC(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc2ccccc2c1 170634350 YVEWXOIPVJMQGM-UHFFFAOYSA-N 405.479 3.647 0 50 HHAA O=C1CCc2cc(OC[C@H](O)CNC(=O)c3cc(Cl)cc4ccccc34)ccc2N1 1445835685 SJLMKJLTVRWUPL-QGZVFWFLSA-N 424.884 3.548 0 50 HHAA O=C(c1ccc(N2CCCCC2)cc1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1529103987 JQEOPNKGBYPRBR-PXDATVDWSA-N 415.537 3.901 0 50 HHAA O=C(O)c1cccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c1F 1875316727 CXRNRISQMGEHSQ-UHFFFAOYSA-N 413.732 3.877 0 50 HHAA O=C(NC[C@H]1CCCN(C2=NCCN2Cc2ccccc2)C1)Nc1cccc(F)c1 2325842308 UGEGLCYZCCSZCY-LJQANCHMSA-N 409.509 3.531 0 50 HHAA CC(C)(C)CCN(CCc1ccccc1)C(=O)Cn1nc(O)c2ccccc2c1=O 2325864515 QSWSSPUTQLZHJE-UHFFFAOYSA-N 407.514 3.610 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 660138 FLZBZUGNDASOST-UHFFFAOYSA-N 406.935 3.996 0 50 HHAA Cc1ccc(N(Cc2ccc(C(=O)NCc3ccncc3)cc2)S(C)(=O)=O)cc1C 894151 MLXXWFLBEHDUBQ-UHFFFAOYSA-N 423.538 3.595 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)nc(C)n1 1088118 FNVFSMBZIPQTMP-WOJBJXKFSA-N 422.510 3.636 0 50 HHAA C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1098473 GCGIRMXJFKZADT-INIZCTEOSA-N 404.557 3.981 0 50 HHAA COc1ccc(COn2c(=O)c(-c3ccccc3Cl)[n+]([O-])c3ccccc32)cc1 1127159 STKOPSGTPSKLHX-UHFFFAOYSA-N 408.841 3.593 0 50 HHAA O=C(Oc1ccc(Br)cc1C(=S)N1CCOCC1)c1ccc(F)cc1 1156359 LIDVEJVFFCPZMU-UHFFFAOYSA-N 424.291 3.815 0 50 HHAA CCOc1ccccc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 2857115 NABGZTPSVJFIQN-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3Cc2cccn2-c2nccs2)cc1Cl 12048840 QERDTWCORAJYPD-RDJZCZTQSA-N 414.918 3.586 0 50 HHAA Cc1nc(C(=O)NCc2nnc(SCCc3ccccc3)n2CC(C)C)cs1 12282454 NYAIMSTUZQEHKH-UHFFFAOYSA-N 415.588 3.964 0 50 HHAA CC1(C)C[C@H](C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCCCc2ccccc2)CCO1 14972277 ZFUGPBQWIOUQNY-RTWAWAEBSA-N 412.574 3.569 0 50 HHAA O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCc2n[nH]c(-c3ccccc3F)c2C1 15074204 XIFPQWJVHHULAQ-INIZCTEOSA-N 408.477 3.606 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)c1 20998659 XMJLNBZSCFHGRD-KRWDZBQOSA-N 418.969 3.699 0 50 HHAA COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(c43)OC(C)(C)CC5=O)c(=O)[nH]c2c1 217932904 MOCKLXRJXMQHOG-HNNXBMFYSA-N 419.433 3.722 0 50 HHAA biogenic O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc2c(c1)oc1ccccc12 239173764 OPVIIPNZEKVHJG-IKRAPHRESA-N 412.445 3.578 0 50 HHAA CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1csc(-c2ccc(Cl)cc2)c1 429867548 NMFGGDMWEFWMRI-MRXNPFEDSA-N 412.964 3.612 0 50 HHAA COCCc1noc([C@H]2CCCCN2C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n1 952873032 UTRFKSSGWSUZNM-HXUWFJFHSA-N 408.502 3.986 0 50 HHAA O=C(CCC1CCCC1)N1C[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@]2(CO)C1 1772809880 GHCJARBDOVRJBE-XMSQKQJNSA-N 408.945 3.702 0 50 HHAA Cc1cc(F)cc(CN2CCC3(CC2)CN(C(=O)C2CCCCC2)C[C@@H]3C(=O)O)c1 1857692206 UDVBJYZGINNCDB-OAQYLSRUSA-N 416.537 3.840 0 50 HHAA CC(C)[C@H]1CN2C[C@@H](NC(=O)c3ccc(OCc4ccccc4F)cc3)C[C@H]2CO1 1857730088 JGMHXZABJVRYGV-SXWKCWPCSA-N 412.505 3.632 0 50 HHAA Cn1ccnc1[C@H]1CCCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)[nH]n2)C1 1875261453 IBODJJLQENNPMI-ZDUSSCGKSA-N 403.408 3.849 0 50 HHAA C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2ccccc2CN(C)C(=O)c2cc3ccccn3c2)O1 1875342987 BUDZSTPEHLLGSA-PNCHPQGNSA-N 419.525 3.641 0 50 HHAA C[C@H](NC(=O)Nc1ccccc1COCc1ccccc1)c1nnc2ncccn12 2325748750 XPSPSJKPQFDSQI-INIZCTEOSA-N 402.458 3.724 0 50 HHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(-c4ccccc4)nc3O)C1)CC2 2356153420 GEBCTNJWMNLTKI-XMMPIXPASA-N 400.482 3.673 0 50 HHAA Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)n1 703942 FJXOYEYLBAMSLY-UHFFFAOYSA-N 424.508 3.600 0 50 HHAA CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 846489 CRXVMJTZTUHFHS-JOCHJYFZSA-N 414.461 3.931 0 50 HHAA COc1ccc(OC)c(NC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)c1 935791 OMLDWFGVNBIVHI-UHFFFAOYSA-N 412.486 3.784 0 50 HHAA CCc1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 1073118 XEWNNHUWKGTAGA-UHFFFAOYSA-N 401.315 3.961 0 50 HHAA O=C(O)c1cccnc1S[C@@H]1CC(=O)N(c2ccc(SC(F)F)cc2)C1=O 1135090 NVUMGYSNZUCHFJ-GFCCVEGCSA-N 410.423 3.519 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4CC(C)=CC[C@H]4C3=O)cc2)c1 1180671 KNVNFLGDHMPQIF-MOPGFXCFSA-N 420.465 3.802 0 50 HHAA CC1=NN(C(=O)c2ccc(COc3ccccc3Cl)o2)[C@](O)(C(F)(F)F)C1 4652149 SDQBTSOJRXKVMM-MRXNPFEDSA-N 402.756 3.985 0 50 HHAA CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 5008659 VHASMCJGKPHFGN-FQEVSTJZSA-N 412.511 3.800 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc(F)cc1Cl 11786662 VSGURLKEPPHHPI-SFHVURJKSA-N 417.912 3.818 0 50 HHAA CC[C@@H](C)CN1CCC([C@@]2(CC)NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 12042926 BAZWGHSDSGSGLF-HOYKHHGWSA-N 415.578 3.696 0 50 HHAA COc1cc(C)c(CN2CCC([C@@]3(CCC(C)C)NC(=O)NC3=O)CC2)cc1C 12213904 LJSGUVRHARXDAM-HSZRJFAPSA-N 401.551 3.538 0 50 HHAA CCOC(=O)C1(CCOC)CCN(Cc2cnn(-c3cccc(Cl)c3)c2)CC1 12300022 FRAXEDQCHOMICE-UHFFFAOYSA-N 405.926 3.708 0 50 HHAA O=C(CCC1CCN(Cc2cccc(OCCO)c2)CC1)NCc1ccc(F)cc1 12576761 GIYUVEDPWMEUFY-UHFFFAOYSA-N 414.521 3.505 0 50 HHAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN[C@H]1CCCCNC1=O 12595170 AWLCEOOMJRSTJL-FQEVSTJZSA-N 410.468 3.884 0 50 HHAA CN(Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2CCOCC2)CC1 15069520 SDTNEPCCBGXYDO-RUZDIDTESA-N 421.585 3.790 0 50 HHAA COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 15398211 ZPGQBIAFOUKMFT-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CCN1CC1CCCCC1 19740709 JQBJJRDBJXBCJO-JOCHJYFZSA-N 410.562 3.718 0 50 HHAA CCc1ccccc1NC(=O)N1CCN(c2ccc(Nc3ccc(C)cn3)nn2)CC1 72436830 DXEVZAMVLUKUFW-UHFFFAOYSA-N 417.517 3.840 0 50 HHAA COc1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)ccc1Cl 170623911 NSELWSOQPDZVSI-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)c1n[nH]c2ccccc2c1=O 170625189 INJXPGABUHNNPB-UHFFFAOYSA-N 401.470 3.967 0 50 HHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1cn2c(C)cccc2n1)C3 299799662 UKVJGNBEYZUAMN-MRXNPFEDSA-N 421.570 3.861 0 50 HHAA O=C(N=c1cc[nH]c2ccncc12)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 443636487 BPFITNSJSYEIBD-SFHVURJKSA-N 415.280 3.602 0 50 HHAA O=C(Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 756126760 DVHGJCPTHODNSP-CECAUBDESA-N 407.489 3.769 0 50 HHAA Cc1ccc2cc(CNCc3ccccc3-n3ccnc3)c(N3CCOCC3)nc2c1 952973133 YEFGWNMYVLUMQX-UHFFFAOYSA-N 413.525 3.855 0 50 HHAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)Nc1ccccc1N1C(=O)N[C@H](C)C1=O 952979259 NCGRRWVRPCJNLF-OAHLLOKOSA-N 404.470 3.719 0 50 HHAA CC1=CC2(CCN(C(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)OCC1 1704302074 ASKKZPSKTJUKJV-UHFFFAOYSA-N 416.949 3.920 0 50 HHAA Cc1nnc(N2C[C@H]3CN(Cc4ccncc4)C[C@]3(CCc3ccccc3)C2)s1 1772813197 VFMAHMUIXMPFCY-FYYLOGMGSA-N 405.571 3.813 0 50 HHAA OC1(CNCc2cnn(Cc3ccccc3C(F)(F)F)c2)Cc2ccccc2C1 2325869898 AJRPEHXVVQTICO-UHFFFAOYSA-N 401.432 3.570 0 50 HHAA CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 982861 OYNDSEIQXZGQGQ-UHFFFAOYSA-N 421.733 3.584 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1 1121105 GNQODOVBHNRZRF-UHFFFAOYSA-N 406.467 3.761 0 50 HHAA Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc1C 1127307 MRMIOWRMTFKQPD-UHFFFAOYSA-N 424.888 3.545 0 50 HHAA CCOc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 1135209 ZFKFNSPFEKUSJW-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NC2CCCC2)cc1 1145544 QUKAGJONYREFDX-UHFFFAOYSA-N 406.935 3.979 0 50 HHAA COc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1Cl 1173434 REVWPNUVYQHLCG-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(C)c(C)cc1O 1179717 AZGOCQLZZNZPMN-UHFFFAOYSA-N 409.305 3.907 0 50 HHAA COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1203493 UGVMGAOKTDVQNF-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA COC(=O)c1c(NC(=O)COc2ccccc2Br)sc2c1CCC2 1768753 OEAMACTVHQMBNT-UHFFFAOYSA-N 410.289 3.803 0 50 HHAA COc1ccc(OCCSc2nc3c(N)ncn(Cc4ccccc4)c-3n2)cc1 6368999 LMVQXYMMKIVVQX-UHFFFAOYSA-N 407.499 3.588 0 50 HHAA C[C@H](C(=O)N1CCC2(CC[C@@H](CNC(=O)c3ccccc3F)O2)CC1)c1ccccc1 11839083 OUTKEDCLMTYECI-ICSRJNTNSA-N 424.516 3.899 0 50 HHAA O=C(CC[C@@H]1CCCN(C2CCSCC2)C1)N1CCN(Cc2ccccc2)CC1 12053089 YUTXLIBAZWRYQA-QFIPXVFZSA-N 415.647 3.719 0 50 HHAA CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(C)c1-c1ccc(Cl)cc1 19901798 OJLGDZLZPYTAJV-UHFFFAOYSA-N 422.934 3.824 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(Cc3cccs3)CC2)c(Cl)c1 55254898 CICGXUFYWVAXFW-UHFFFAOYSA-N 408.951 3.821 0 50 HHAA CS[C@H](C)C(=O)Nc1nn(-c2cccc(F)c2)c2cccc(OCCN(C)C)c12 77488863 JPHXFZPCQYATSV-CQSZACIVSA-N 416.522 3.795 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2ncc[nH]2)CC1 95521714 ONSLVKAKKFRHIB-UHFFFAOYSA-N 403.530 3.668 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(F)cc3F)C[C@H]2CCO)c(C)c1C 104424753 ADDCXGLYTGBESL-OAQYLSRUSA-N 404.501 3.659 0 50 HHAA COc1cccc(NC(=O)COc2ccc(C(=O)NCC[Si](C)(C)C)cc2)c1 170601747 LOJOOWIDTNFVAU-UHFFFAOYSA-N 400.551 3.781 0 50 HHAA CCc1ccc([C@H]2CC(c3cc(OC)ccc3OC)=NN2C(=O)CCC(=O)O)cc1 225849666 FFMJKNNWFBBIDB-HXUWFJFHSA-N 410.470 3.809 0 50 HHAA CCN1[C@H](c2ccc(Cl)cc2)[C@H](CNCc2cccc3c2OCO3)C[C@]1(C)CO 249697422 UOTWNGAPCSZWCF-QTGUNEKASA-N 416.949 3.992 0 50 HHAA CSCC[C@@H](NC(=O)c1ccc2c(c1)N=C(O)CO2)c1nc2ccccc2n1C 252570999 XNONRFKYFZCSKV-OAHLLOKOSA-N 410.499 3.778 0 50 HHAA Cc1cc(NC(=O)[C@H](C)n2cnc3ccccc3c2=O)ccc1NC(=O)C(C)(C)C 827654153 DXCJWENLZXAATO-HNNXBMFYSA-N 406.486 3.889 0 50 HHAA O=C(c1cccs1)N1C[C@H]2CN(Cc3cnc[nH]3)C[C@]2(CCc2ccccc2)C1 1772813597 JGDNJRHHSAZDJU-AUSIDOKSSA-N 406.555 3.678 0 50 HHAA O=C(N=c1ccn(Cc2ccncc2)[nH]1)c1cccc(Oc2ccc(Cl)cc2)n1 2325738043 BJTMMDPRADIOKH-UHFFFAOYSA-N 405.845 3.841 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3c(C)n(C)c4ccc(O)cc34)CC1)OCC2 2356159040 JGJFBRGYUUUKQR-UHFFFAOYSA-N 420.509 3.905 0 50 HHAA COc1cc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)c(OC)cc1Cl 1004469 VWOWLPYKEDOVMF-UHFFFAOYSA-N 410.879 3.501 0 50 HHAA COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1Br 1068504 TYTWLYUYKNMGKP-VIFPVBQESA-N 423.332 3.995 0 50 HHAA COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1cc(=O)oc2cc(OC)ccc12 1075889 ONRPNDBVAORKSQ-QGZVFWFLSA-N 400.814 3.985 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1cccc(Cl)c1Cl 1128099 RWRYHAMWXVMXFC-UHFFFAOYSA-N 409.241 3.676 0 50 HHAA Cc1cc(I)ccc1NC(=S)NC(=O)Cc1ccccc1 1143871 ORBPEZMVSGPRKF-UHFFFAOYSA-N 410.280 3.655 0 50 HHAA CCOCCOC(=O)COc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1 1748221 WKBVQIDZZIXBJJ-UHFFFAOYSA-N 414.410 3.552 0 50 HHAA biogenic COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCc2ccccc21 2850413 CBLJOXKGEQIUPW-UHFFFAOYSA-N 408.479 3.699 0 50 HHAA CSc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccc(C)cc2)cc1 2925127 ITOBHQSTLJZMDA-UHFFFAOYSA-N 406.573 3.684 0 50 HHAA CC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(C)=O)c(Cl)c2)cc1Cl 3129962 KXZGODXSQIKQNG-UHFFFAOYSA-N 403.239 3.677 0 50 HHAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(F)c2)n2nc(CCCO)nc2N1 4387659 XIORBBWVFXVZQC-NRFANRHFSA-N 421.476 3.578 0 50 HHAA O=C(CCc1nnc(CCc2ccccc2)o1)N1CCC[C@@H](OCc2ccccc2)C1 11661621 RPFHVJIDGLXYTE-JOCHJYFZSA-N 419.525 3.995 0 50 HHAA CN(C)C(=O)C1CCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)CC1 11913488 ZWUTVJBKPAVUHB-UHFFFAOYSA-N 411.546 3.700 0 50 HHAA O=C(c1ccccc1-c1ncc[nH]1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 11935940 RHTDVDHNLFJGBR-KRWDZBQOSA-N 404.470 3.565 0 50 HHAA CCN(CC)C(=O)c1sc2ncnc(NC[C@H]3COc4ccccc4O3)c2c1C 12026018 RMGSCOTWZSUZCX-AWEZNQCLSA-N 412.515 3.734 0 50 HHAA O=C(NC1CC1)c1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)nn1 12150243 JETSTZIZORMFFP-UHFFFAOYSA-N 417.513 3.800 0 50 HHAA O=C(CCc1cnccn1)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 14954824 FXQDEDUGZJOBJH-HSZRJFAPSA-N 401.510 3.859 0 50 HHAA CC[C@@H](NC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C)c1cccs1 14991169 PCPDUBYRWGHREH-CQSZACIVSA-N 415.588 3.694 0 50 HHAA Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n1 18254261 ISKKHUSIKPRBKI-UHFFFAOYSA-N 401.919 3.708 0 50 HHAA O=C(c1nc2ccccn2c1CNCc1ccc(OC(F)(F)F)cc1)N1CCCC1 19837148 RNZFLTCFKQIOBN-UHFFFAOYSA-N 418.419 3.759 0 50 HHAA Cc1cc(S(=O)(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)c(C)cc1Cl 20599952 POOXHHDIAKJLEB-CQSZACIVSA-N 404.923 3.885 0 50 HHAA Cc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4C)CC3)n2)cc1 67613863 SCBKZRLDEFWNHW-UHFFFAOYSA-N 404.514 3.882 0 50 HHAA COc1ccc(-n2nc(NC(=O)CC3CC3)c3c(N4CCOCC4)cccc32)cc1 77525549 KXGPPEFOJYMCDN-UHFFFAOYSA-N 406.486 3.609 0 50 HHAA O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)N1CCCN1[C@H]2c1ccc(Cl)cc1 136455948 SMPPEWSSNYWIIA-OKZBNKHCSA-N 402.281 3.529 0 50 HHAA CC(C)(C)OC(=O)N1CCN(c2ncnc3cccc(F)c23)[C@H](c2cccnc2)C1 225699446 NDEDSBGDQAYKPR-SFHVURJKSA-N 409.465 3.962 0 50 HHAA CSCC[C@@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)c1nc2ccccc2n1C 252540381 PHBFKUGCQYHXHK-MRXNPFEDSA-N 406.515 3.583 0 50 HHAA CCOc1ccc([C@H](COC)N2C(=O)[C@@H](Cc3cccc(Cl)c3)N=C2O)cc1 328595064 JVXXJJPOLGDFSC-MOPGFXCFSA-N 402.878 3.794 0 50 HHAA COc1ncc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1C(N)=O 474584383 WUUBOIIVUTZJGS-QGZVFWFLSA-N 402.882 3.992 0 50 HHAA COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N(C)[C@H](C)c1cc2ccccc2o1 1474817285 KYURLLLWIADEBL-CQSZACIVSA-N 417.483 3.539 0 50 HHAA CCc1nc(N2C[C@H]3CN(Cc4nccs4)C[C@]3(CCc3ccccc3)C2)no1 1772813458 BCZSEZQCGMYHQX-XMSQKQJNSA-N 409.559 3.660 0 50 HHAA CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)Cc1ccc(OC(F)(F)F)cc1 1776003785 AMWQAZCGBSOGBI-UHFFFAOYSA-N 418.318 3.977 0 50 HHAA CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(CC)oc2cc1OCC(=O)OC 630476 QKLPUDVAOJFOMJ-UHFFFAOYSA-N 424.449 3.908 0 50 HHAA Cc1cc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2c2ccccc12 635790 NILVSADESSLZHT-UHFFFAOYSA-N 406.467 3.693 0 50 HHAA O=S(=O)(Nc1ccccc1)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1 754720 WWLMNHGBDRUFKD-UHFFFAOYSA-N 407.900 3.974 0 50 HHAA O=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)N1c1ccccc1 949114 MVGFZRJIBLYGIW-UHFFFAOYSA-N 424.625 3.727 0 50 HHAA COC(=O)c1ccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)cc1 1109351 YGMMDKOKLUWXHS-UHFFFAOYSA-N 415.243 3.642 0 50 HHAA CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)c1 1142273 BGFRAUUSHSSHCV-UHFFFAOYSA-N 409.515 3.788 0 50 HHAA COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc(OC)c4)nc3C2)cc1 2425957 IEKDGNYZVCBUDR-MRXNPFEDSA-N 403.438 3.659 0 50 HHAA CCOc1ccc(CCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=S)cc1OCC 2791220 NFRIUSPKTMFREL-IBGZPJMESA-N 410.539 3.581 0 50 HHAA CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 2835249 ULQTWPURGSQWHC-INIZCTEOSA-N 413.543 3.827 0 50 HHAA O=C(Cc1ccccc1)Nc1cc(C(=O)c2ccccc2)ccc1N1CCOCC1 2850554 OWIOCTRHHRRMGO-UHFFFAOYSA-N 400.478 3.935 0 50 HHAA COCCCNC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc12 2868184 BUUFAUAODIWLFU-UHFFFAOYSA-N 400.276 3.826 0 50 HHAA Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NCCc3cccc(F)c3)N(C(C)C)C2)n1 11812903 KHLHVCBHTUOKKU-PMACEKPBSA-N 416.566 3.535 0 50 HHAA COc1cc(OC)cc([C@@H]2C[C@H]3CN(c4cccc(OC)c4)C(=O)[C@]34CCCN24)c1 11843554 XFEZRRZMDPHHNK-OWSXEPHWSA-N 408.498 3.655 0 50 HHAA CCc1ccc(CN2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 11910444 ZQVCAKGAJFDZNQ-RUZDIDTESA-N 405.542 3.672 0 50 HHAA CC(C)(C)CN1CCC(Oc2ccc(C(=O)NCCc3cn[nH]c3)cc2Cl)CC1 12704994 FKBWWDBOUMUEGP-UHFFFAOYSA-N 418.969 3.925 0 50 HHAA Cc1cc(C)n(CC(=O)N(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)n1 12745289 IIQMOCMZNKRHHZ-UHFFFAOYSA-N 402.970 3.566 0 50 HHAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1ccccc1-c1ccco1)C2 14732854 ICBLYAHUQKLPFQ-UHFFFAOYSA-N 404.514 3.957 0 50 HHAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NC1CCCCCCC1)C2 14749139 PNCRFJZSYOIXLH-HXUWFJFHSA-N 416.610 3.571 0 50 HHAA CC(C)(C)CN1CCC(O)(c2ccc3oc(C(=O)NC[C@H]4CCCO4)cc3c2)CC1 14993195 FDUWTNATJVVNOH-LJQANCHMSA-N 414.546 3.671 0 50 HHAA Cc1ccnc(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 19890592 XNYXXRJESMAJLQ-UHFFFAOYSA-N 418.566 3.811 0 50 HHAA Cc1nc2sccn2c1CN1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 20512109 DSWAEPPSBOJJAM-FQEVSTJZSA-N 413.566 3.630 0 50 HHAA CCc1nn2c(nnc3c(=O)n(Cc4ccc(OC)cc4)ccc32)c1-c1ccccc1 40388333 GPGPNLDSOUPSDA-UHFFFAOYSA-N 411.465 3.726 0 50 HHAA O=C1OC2(CCC(C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 45348138 RMYZIRFUCOMQRH-UHFFFAOYSA-N 406.417 3.601 0 50 HHAA investigational Cc1sc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c(C(N)=O)c1-c1ccc(F)cc1 138965308 LCNOIVZFZCBWSU-YXAMBPQSSA-N 416.474 3.647 0 50 HHAA CN([C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 170637297 LIGLKRUDWXSVAU-KSZLIROESA-N 413.486 3.650 0 50 HHAA CCCc1ncc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)s1 225740355 MAYUTPFWACLOEI-UHFFFAOYSA-N 407.293 3.838 0 50 HHAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263618769 VKWNDAHDJAJLRU-INIZCTEOSA-N 422.338 3.840 0 50 HHAA CCc1cnc(C)nc1N1CC[C@]2(CCCN(Cc3cccc(OC)c3OC)C2)C1 426435474 ZBODEBHSYDVENZ-DEOSSOPVSA-N 410.562 3.857 0 50 HHAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cc(F)cc3cccnc13)CC2 431972193 MOWSQDGXOMDRFP-SFHVURJKSA-N 424.428 3.605 0 50 HHAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(C/C=C/c2ccccc2)CC1 1857692708 QFMXJWDCUJBSNI-PTGVWUEVSA-N 424.516 3.610 0 50 HHAA Cc1ccc(N2C[C@H](C(=O)Nc3nnc(Cc4ccccc4F)s3)CC2=O)c(C)c1 1857799745 YKVIPXSPVYOGQT-MRXNPFEDSA-N 424.501 3.876 0 50 HHAA O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)c1cc(COc2ccc(F)cc2)on1 1875333683 HNXCLGRUGDAECL-SAABIXHNSA-N 424.428 3.645 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(N)=O)C1 995196 DMDAJNDYSBHISG-GFCCVEGCSA-N 400.500 3.979 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(Br)cc1 2820796 ZBIJNEMCOMETFN-QGZVFWFLSA-N 417.328 3.942 0 50 HHAA Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)c(-c3ccccc3)c2n1 4295106 BJVVHVXNLXVRFS-UHFFFAOYSA-N 401.470 3.569 0 50 HHAA Cc1cnc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)s1 4917549 CLLQHYUUZUKFEF-UHFFFAOYSA-N 409.924 3.543 0 50 HHAA CN1C(=O)N[C@H](c2ccc(Br)cc2)C2=C1CN(c1ccc(F)cc1)C2=O 9253799 YUQCIQGZSYIOPW-QGZVFWFLSA-N 416.250 3.585 0 50 HHAA Cn1c(=O)c2c(-c3ccc(Cl)cc3Cl)n(-c3ccc(O)cc3)cc2n(C)c1=O 9433916 FNFSYSTVMGRBNX-UHFFFAOYSA-N 416.264 3.707 0 50 HHAA COc1ccc(OCc2cc(C(=O)N[C@H](C)Cc3ccccn3)no2)c(Cl)c1 11667971 JWCSYYMAORRZMX-CYBMUJFWSA-N 401.850 3.672 0 50 HHAA O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 11759168 KINCYSMPCMVWJM-VWLOTQADSA-N 420.484 3.638 0 50 HHAA CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)[C@@H]2CCCO2)CC1 11772313 MBQUMGGZBLXYDH-KRWDZBQOSA-N 413.436 3.599 0 50 HHAA CCOC(=O)C[C@@H](NC(=O)c1cc(COc2ccc(OC)cc2Cl)on1)C(C)C 11844182 BUIBBJZCXDWEIK-MRXNPFEDSA-N 424.881 3.623 0 50 HHAA CN(CCc1cn[nH]c1)C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1 11874965 RTXBFBWELHCCSC-UHFFFAOYSA-N 415.497 3.684 0 50 HHAA COc1ccc(CNCCCSC)c(OC[C@@H](O)CN2CCCCCCC2)c1 12208758 FZVXKFUKERTPKL-FQEVSTJZSA-N 410.624 3.544 0 50 HHAA COc1ccc2cc(-c3n[nH]cc3CN3CCC[C@H](CN4CCOCC4)C3)ccc2c1 12447111 UCQAKNHGMZLDKY-LJQANCHMSA-N 420.557 3.783 0 50 HHAA O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCc1nc(-c2ccccc2)cs1 14968475 FYTIZCSJCVEXLP-QFIPXVFZSA-N 409.511 3.691 0 50 HHAA CCOc1ccccc1-c1nc(CN2CCN(c3cccc(OC)c3)C(=O)C2)c(C)o1 14972675 IAYNGKWDOHMAQR-UHFFFAOYSA-N 421.497 3.906 0 50 HHAA Cc1cc(C)c(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc1C 16267898 HCTFBQPIVLUDRJ-UUASQNMZSA-N 400.301 3.540 0 50 HHAA CCOc1ccc2nc(N3CCC(N4CC[C@@H](N(CC)CC)C4)CC3)nc(C)c2c1 20998963 RIATUHRRKOIFDC-HXUWFJFHSA-N 411.594 3.722 0 50 HHAA Cc1ccccc1SC1CCN(C(=O)c2cnc(-c3ccncc3)nc2O)CC1 91547563 JDBAUUSSWOMFFH-UHFFFAOYSA-N 406.511 3.950 0 50 HHAA Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 226605050 LCUADYVDJNPTTC-VQHPVUNQSA-N 420.296 3.522 0 50 HHAA O=S(=O)(Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)no1)c1ccccc1 263639913 OFQWAOMOPWBYRY-UHFFFAOYSA-N 403.769 3.778 0 50 HHAA C[C@@H]1c2cccn2CCN1C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 328589857 LDUUYHUBAQPLLC-QGZVFWFLSA-N 422.554 3.594 0 50 HHAA Cc1cc(C)nc(-n2cc(C(=O)Nc3cc(C4CCCCC4)[nH]n3)c(C(C)C)n2)n1 426680009 YWNXDGBNERKPTL-UHFFFAOYSA-N 407.522 4.426 0 50 HHAA CCn1ncc2c(-c3nc(-c4cnc5cnccn45)no3)cc(-c3ccccc3)nc21 445523691 BRSGZGMZEZUUGX-UHFFFAOYSA-N 408.425 3.878 0 50 HHAA CCC(=O)N1CCC(C(=O)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)CC1 822529905 YJFRWKGMQDQOCK-XMMPIXPASA-N 400.563 3.668 0 50 HHAA Cc1cc(NC(=O)[C@H](C(C)C)n2cnc3ccccc3c2=O)ccc1N1CCCC1=O 952991098 YBADBUBXNMHQOL-QFIPXVFZSA-N 418.497 3.668 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@@H]1c1cccs1 1857798523 LTFCLOZFGILUAA-KBPBESRZSA-N 405.526 3.748 0 50 HHAA c1ccc(OCCN2CCOCC2)c(CNc2cncc(OC3CCCCC3)n2)c1 1875342101 XVEJGPLCYLIYMY-UHFFFAOYSA-N 412.534 3.511 0 50 HHAA O=C(NCCCCNC(=O)c1snc2ccccc12)c1snc2ccccc12 2325726775 PSWQDEWLVQJVKE-UHFFFAOYSA-N 410.524 3.846 0 50 HHAA Cc1c(-c2cc(CNc3cccc(-c4nncn4C)c3)cc3c2OCO3)cnn1C 2325756247 DOINZNGAWGZYRT-UHFFFAOYSA-N 402.458 3.532 0 50 HHAA Cn1ncc(S(=O)(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)c1Cl 2325820400 SUAWGTPYYQCZRP-UHFFFAOYSA-N 408.738 3.824 0 50 HHAA Cc1ccc(Cc2ccccc2C(=O)N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)cc1 2356153368 DBHPHWVDYWYQQG-AREMUKBSSA-N 412.537 3.909 0 50 HHAA CCCCn1nc(CC(C)C)c2c(N3CCC[C@H](CCC(=O)NC)C3)ncnc21 2356168720 CLEHTYAOFAYKNN-QGZVFWFLSA-N 400.571 3.568 0 50 HHAA COC(=O)C1=CN(CCc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccsc1 909219 LZCUYVXDSHUVEL-UHFFFAOYSA-N 413.495 3.512 0 50 HHAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)cc1C 1064754 LRONEILQAXZFKG-QGZVFWFLSA-N 422.934 3.666 0 50 HHAA CC(=O)Nc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1 1126884 LYYLKTZQMSNNFZ-HXUWFJFHSA-N 408.527 3.693 0 50 HHAA COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc(Cl)ccc3OC)c2c1 2503819 KKCVQKVTSGBWGR-UHFFFAOYSA-N 408.907 3.668 0 50 HHAA O=C(NC1CCC(CC2CCC(NC(=O)C(F)(F)F)CC2)CC1)C(F)(F)F 2751749 PFZQWHDKMWMQFY-UHFFFAOYSA-N 402.379 3.851 0 50 HHAA CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 4651251 CDIORBZSJUAOPQ-MSOLQXFVSA-N 419.474 3.647 0 50 HHAA O=S(=O)(c1ccc(NC(=S)NCc2ccco2)cc1)N1CCc2ccccc21 6690865 VQVZFVHMPCHASF-UHFFFAOYSA-N 413.524 3.518 0 50 HHAA COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCc2ccncc2)cc1 9380128 PMQXZJVGLOBBOP-KGENOOAVSA-N 421.884 3.831 0 50 HHAA CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 11704768 OJBGQDBVLRNHQS-HXUWFJFHSA-N 412.603 3.518 0 50 HHAA COC(=O)c1c(NC(C)=O)c2cc(N[C@H](C)CCc3ccc(OC)cc3)cnc2n1C 14534928 BVSSLEVZQXGRGU-CQSZACIVSA-N 424.501 3.760 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1 14965980 PMZQKBGBASDNNY-UHFFFAOYSA-N 408.951 3.821 0 50 HHAA Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)c2cc4ccccc4o2)CC3)n1 14986833 YJLPXCFEGWOAGB-IBGZPJMESA-N 403.482 3.695 0 50 HHAA CC[C@H](C(=O)Nc1cccnc1Cl)n1ccc(C(=O)Nc2cccnc2Cl)n1 20617448 AJBFWCUHQWOWJJ-CQSZACIVSA-N 419.272 3.822 0 50 HHAA CN(CCc1ccccn1)[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C[C@H]1O 42926120 SPPWLMSZZAZBJU-CLJLJLNGSA-N 401.554 3.858 0 50 HHAA CN(C)c1cc(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)nc2ccccc12 253405497 NFNQTAYFDJUSRE-LJQANCHMSA-N 403.404 3.783 0 50 HHAA COCCn1ccc2c(OCC(=O)Nc3nc(-c4ccccn4)cs3)cccc21 263587352 FZWRJKCKPNMQEU-UHFFFAOYSA-N 408.483 3.824 0 50 HHAA CC(C)c1ccc(N2C[C@H](C(=O)NCc3cccc(-n4cccn4)c3)CC2=O)cc1 822264170 PCQBEPZSHXORBY-HXUWFJFHSA-N 402.498 3.665 0 50 HHAA Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCC[C@@H](C3CCCC3)C2)c1C 1472376928 MJTZBUNWDZWOSJ-HXUWFJFHSA-N 406.592 3.627 0 50 HHAA COc1cc(-c2onc(N3CCC([C@@H](O)CC(C)C)CC3)c2C(=O)O)ccc1F 1704334265 HHCONNQVALNDSK-INIZCTEOSA-N 406.454 3.811 0 50 HHAA Cc1ccc2oc(CN3C[C@@H]4CN(Cc5scnc5C)C[C@]4(CO)C3)c(C)c2c1 1772707913 YWGWYDYNJSROFV-JPYJTQIMSA-N 411.571 3.741 0 50 HHAA Cc1cc2c(N3CCC4(CC3)OCCc3sc(C(=O)O)cc34)ncnc2s1 1857687485 TZTXMMCTVVBHKZ-UHFFFAOYSA-N 401.513 3.828 0 50 HHAA O=C(NS(=O)(=O)[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1Cc2ccc(F)cc21 1875255121 KRDROPQDYMQVSM-FGZHOGPDSA-N 409.482 3.895 0 50 HHAA CCCc1noc(CC2CCN(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)CC2)n1 1875322910 NAWUNPXFVMJCPO-UHFFFAOYSA-N 411.506 3.784 0 50 HHAA CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1)c1cccs1 1875350331 ISGMBYHVVDLPCT-GOSISDBHSA-N 419.510 3.684 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCC3)C2)cc1 1875370722 ATFDRDQWFCUULS-SFHVURJKSA-N 413.518 3.721 0 50 HHAA Cc1cc2nc(NC3CC3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1 2325888052 VDNIRGKXRYOTKD-UHFFFAOYSA-N 410.472 3.508 0 50 HHAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C1)CC2 2356140746 PDPAELCKNAWYPQ-FQEVSTJZSA-N 405.329 3.970 0 50 HHAA COc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 821290 OQEVHRCZJLCMQE-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA CCOC(=O)[C@H](Oc1cc(C)cc2oc(=O)c(CC(=O)OC)c(C)c12)c1ccccc1 1050191 ZUFUPTDWEIXYSH-JOCHJYFZSA-N 424.449 3.809 0 50 HHAA COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1073062 RTCSOZZRPBGCQO-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA CC[C@H](C)NC(=O)c1cc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2n1 1209761 OVSJWBKHPKWIRU-NSHDSACASA-N 422.407 3.961 0 50 HHAA O=S(=O)(NC[C@H](c1ccccc1)n1cc(-c2ccccc2)nn1)c1ccccc1 4807619 RCEIGDQYFHPNKU-JOCHJYFZSA-N 404.495 3.513 0 50 HHAA COc1cc2ccccc2cc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1 4933405 FQQLPKMPPILRCL-UHFFFAOYSA-N 403.482 3.769 0 50 HHAA C[C@]1(C2CCN(Cc3ccc(F)cc3F)CC2)NC(=O)N(Cc2ccsc2)C1=O 12034874 CAARTPJLZAEQLS-OAQYLSRUSA-N 419.497 3.749 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)nc2c1 12199016 UTMKXHLRECZYLW-GOSISDBHSA-N 418.497 3.508 0 50 HHAA COc1cc(CN(C)Cc2ccc(F)cc2)ccc1OC[C@H](O)CN(C)C(C)C 12430258 DMULEYLWMICRNC-OAQYLSRUSA-N 404.526 3.546 0 50 HHAA c1c(CNCC2CCCCC2)c(N2CCN3CCC[C@@H]3C2)nc2cc3c(cc12)OCO3 14879684 LMDPGKZJXXVFKN-OAQYLSRUSA-N 422.573 3.918 0 50 HHAA COc1cc(C[C@]2(CCC(=O)N[C@H](C)Cc3ccsc3)CCC(=O)N2)ccc1F 14998699 QPJGYJPBVNNMNT-QRQCRPRQSA-N 418.534 3.615 0 50 HHAA COc1ccccc1[C@H](C)N(C)Cc1nc(-c2ccc(OC)c(OC)c2OC)no1 15071194 RVAUWSVISNUKKO-AWEZNQCLSA-N 413.474 3.964 0 50 HHAA O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 15859891 AGDZVTALUXFZGO-INIZCTEOSA-N 400.862 3.996 0 50 HHAA O=[S@@](C[C@@H](O)COc1c(F)c(F)c(F)c(F)c1F)c1nc2ccccc2s1 15930998 HRYQOZQMLPHROP-RWRPMKPTSA-N 423.384 3.539 0 50 HHAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3cc(C(C)C)[nH]n3)C2)cc1OC 19758699 AVIZEKIGHXXRMA-FQEVSTJZSA-N 400.567 3.689 0 50 HHAA CCn1nc(NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)cc1C 20602533 PTOSERJOXNNKMZ-UHFFFAOYSA-N 406.412 3.799 0 50 HHAA Cc1cccc(C)c1N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 54225060 BJODGNVDGPYUTE-UHFFFAOYSA-N 402.336 3.827 0 50 HHAA CCCC(=O)Nc1cc(C(=O)N2CCCC[C@@H]2c2nc(CCOC)no2)ccc1C 55036974 YJEFXKSAWOJJIM-GOSISDBHSA-N 414.506 3.673 0 50 HHAA O=C(Oc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccccc1F 245311717 QOUJYOJZBOKUNZ-MVDTXMJBSA-N 403.409 3.602 0 50 HHAA COc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)c2c(O)cc(C)oc2=O)cc1 253471096 LMMWNKQMOHNDPX-LJQANCHMSA-N 409.438 3.832 0 50 HHAA O=C([C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCC[C@@H](c2ccccc2)CC1 299773433 BABYOUMPRRCIOK-AUSIDOKSSA-N 406.482 3.899 0 50 HHAA Cc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2ccccc2)C4)n1 299784763 HZTJTDMGCLQFLY-GOSISDBHSA-N 416.550 3.857 0 50 HHAA COCCN(c1nc2ccccc2s1)S(=O)(=O)c1cc(C(C)=O)ccc1Cl 328593931 BAZAZHKTPWBXNX-UHFFFAOYSA-N 424.931 3.994 0 50 HHAA COC(=O)[C@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 434316299 MGUUWRVKIKTQJC-MRXNPFEDSA-N 401.825 3.556 0 50 HHAA Brc1cccc(C2(CNc3nccc(N4CCCC4)n3)CCOCC2)c1 733187618 AQPBJWARGRGRBQ-UHFFFAOYSA-N 417.351 4.000 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)cc2)cn1 824827610 PYRIOKUBJFOTBP-UHFFFAOYSA-N 418.497 3.887 0 50 HHAA COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(NC(C)=O)cn3)cc12 1342319976 JJJNXANIYCUOJF-UHFFFAOYSA-N 403.236 3.545 0 50 HHAA O=C(CCCc1nc(-c2cccnc2)no1)N1CCC(Oc2ccccc2F)CC1 1506405385 ZZLQHTBRQMOGIN-UHFFFAOYSA-N 410.449 3.663 0 50 HHAA CCc1nn(C)c(CC)c1CNCc1ccc(Cn2cc(Br)cn2)cc1 1875313124 XEFLSGRRENCWQP-UHFFFAOYSA-N 416.367 3.842 0 50 HHAA COc1cccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 835333 LBAAHVMUKSLDJZ-UHFFFAOYSA-N 410.495 3.914 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 991016 LDJDUPYUAUBCRL-KRWDZBQOSA-N 403.276 3.610 0 50 HHAA COC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 1086341 HOIHVJKLFPLIFR-UHFFFAOYSA-N 400.390 3.526 0 50 HHAA CC(=O)c1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1 1152424 OAYJQXOPFWGMDZ-UHFFFAOYSA-N 414.527 3.851 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)c1 1188214 QOGFUTGBTXVBMU-SFHVURJKSA-N 417.918 3.789 0 50 HHAA O=C(NCc1ccccn1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 2879377 KFRMDLBMCHSDGY-DZGCQCFKSA-N 407.421 3.930 0 50 HHAA COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 12076492 JNCJIFGAZQDIGC-CYBMUJFWSA-N 405.907 3.882 0 50 HHAA COc1ccccc1-c1cn2c(C(=O)NCCc3cn4ccccc4n3)csc2n1 12307396 SHHKVBBWKUJNBV-UHFFFAOYSA-N 417.494 3.692 0 50 HHAA COc1ccccc1N1C[C@@H]2C[C@@H](c3cccc(-n4cccn4)c3)N3CCC[C@@]23C1=O 14980013 RDWOPORVVZFHCH-JTJYXVOQSA-N 414.509 3.823 0 50 HHAA Cc1n[nH]c(CCC(=O)N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3)C2)c1C 15070664 OHOKUOOBGCXWGS-QHCPKHFHSA-N 416.516 3.752 0 50 HHAA O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 15075512 UZZPOUHTCIIPMH-MRXNPFEDSA-N 420.904 3.876 0 50 HHAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 17090763 SAGPQNGYCCGCHP-HUUCEWRRSA-N 416.543 3.859 0 50 HHAA CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccc(C)c(Cl)c3)CC2)cc1 20325700 DFSFVUXGEZLUJK-HXUWFJFHSA-N 416.949 3.803 0 50 HHAA O=C(CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Nc1cccnc1Cl 22752643 SYIIOPBKYLQWMI-UHFFFAOYSA-N 413.736 3.798 0 50 HHAA Cn1c(-c2ccccc2Cl)nc2cc(C(=O)NCCc3ccc(O)cc3)cnc21 77406753 BMANCLAXMIMNDU-UHFFFAOYSA-N 406.873 3.967 0 50 HHAA COc1ccc(-c2noc(CC3CCN(C(=O)COc4ccc(C)cc4)CC3)n2)cc1 169755742 QDDDNOXGQBEEAU-UHFFFAOYSA-N 421.497 3.914 0 50 HHAA COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3OC)C2=O)cc1 239352070 AAYOCEBHKXWFRZ-OAQYLSRUSA-N 402.878 3.801 0 50 HHAA CC(C)(C)c1csc(NC(=O)CC[C@H]2N=C(O)N(Cc3cccc(F)c3)C2=O)n1 252509615 YRYUQHYMYFQRJL-CQSZACIVSA-N 418.494 3.623 0 50 HHAA O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 257199271 XXEFNKUKVVUJPS-TWRVUUBYSA-N 403.530 3.507 0 50 HHAA biogenic CN1CCN(c2ccc(C(=O)N3CCCC[C@@H]3CCc3cccc(O)c3)cc2)CC1 952873493 ZOSQHXBTPODGAM-HSZRJFAPSA-N 407.558 3.772 0 50 HHAA O=C(CCN1CCN(c2cccc(Cl)c2)CC1)Nc1n[nH]c2ccc(F)cc12 1443301370 GXZAEMNJRDLEFE-UHFFFAOYSA-N 401.873 3.506 0 50 HHAA O=C(c1ccc2scnc2c1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857718411 IGJXAOCIDKIUHQ-UNMCSNQZSA-N 407.539 3.974 0 50 HHAA CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc(Br)n2ccccc12 1875343724 SHGOWWPQMOGPRO-DEOSSOPVSA-N 405.317 3.711 0 50 HHAA N[C@@H](Cc1n[nH]c2ccccc12)C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 1875351963 OIAGJTXQUMMBCX-VQTJNVASSA-N 400.482 3.616 0 50 HHAA Cc1cc(=O)cc(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)o1 2356140213 YRQKQPNQNJSIEN-XMMPIXPASA-N 401.466 3.525 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 671362 AXNMKYFNMKJXTI-UHFFFAOYSA-N 410.923 3.696 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 824259 DFRXDZMRAINDET-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA Cc1cccc(C(=O)Oc2ccc(N(C)C3=NS(=O)(=O)c4ccccc43)cc2)c1 1060065 VXMRDOCVQIXWBW-UHFFFAOYSA-N 406.463 3.800 0 50 HHAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCN(c2ncccn2)CC1 1116492 YMJNZEMTHYCHHS-UHFFFAOYSA-N 409.493 3.963 0 50 HHAA CCCC(=O)n1nc(NCc2ccc(OC)cc2)nc1NCc1ccc(OC)cc1 2884247 DEXPRKUPQKVGCR-UHFFFAOYSA-N 409.490 3.960 0 50 HHAA Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1Br 2997960 QPBBMQKLJYEBAV-UHFFFAOYSA-N 409.349 3.577 0 50 HHAA CC1=C(C(N)=O)[C@H](c2cccs2)N2NC(SCc3ccccc3Cl)=NC2=N1 4574812 CTYDZYGIALEPHB-HNNXBMFYSA-N 417.947 3.681 0 50 HHAA COc1c(C)cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1C 4998612 ZJNHFJBAGPULGF-UHFFFAOYSA-N 408.951 3.785 0 50 HHAA CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1cccnc1 9304353 IRXXRMNKFSTQDC-UHFFFAOYSA-N 403.895 3.753 0 50 HHAA O=C(N[C@@H]1CCc2ccccc21)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 11753596 BQKROUPZWGLVBP-HSZRJFAPSA-N 404.510 3.884 0 50 HHAA CC(C)CC(=O)C(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 11844342 FTAJCJGSNVPNAZ-OAQYLSRUSA-N 418.553 3.661 0 50 HHAA COc1ncccc1C(=O)NC[C@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 11978815 KGRURJXPIYSBQI-GOSISDBHSA-N 402.450 3.693 0 50 HHAA CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2)C(C)C 12244633 NZSSLEPOFBQRNP-HSZRJFAPSA-N 421.545 3.820 0 50 HHAA Cc1noc([C@H]2CCCN2C(=O)c2cc(-c3cn[nH]c3)nc3ccc(Cl)cc23)n1 20472511 YAULISZWWFGYDD-GOSISDBHSA-N 408.849 3.947 0 50 HHAA CC(C)NC(=O)CC[C@H]1CN(Cc2cccc3ccccc23)CC[C@H]1N1CCOCC1 20600192 JJXJODGMATVKCF-UKILVPOCSA-N 423.601 3.667 0 50 HHAA CN(CCc1ccccc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 23128945 DUEYJYGKJWDQKJ-DEOSSOPVSA-N 415.537 3.857 0 50 HHAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)c1cccc(NC(=O)c2ccco2)c1C 55200366 YVVNLPREFNSUOJ-SFHVURJKSA-N 407.470 3.649 0 50 HHAA NS(=O)(=O)c1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1 59244651 YYLRYYBHUQTSTP-UHFFFAOYSA-N 411.508 3.847 0 50 HHAA COc1cccc(-c2ccccc2NC(=O)C2CCN(c3ccnc(N)n3)CC2)c1 95500806 BNEBJGHDWDSZEV-UHFFFAOYSA-N 403.486 3.590 0 50 HHAA Cc1ccc(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)c(C)c1 101733569 KQIBBHKKEKPHNE-ZJOUEHCJSA-N 412.555 3.804 0 50 HHAA CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1O 146416903 XDBNOYYJZISWGQ-NRFANRHFSA-N 424.497 3.807 0 50 HHAA C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 168066395 LOAFSWHUOUKUPQ-QYXDIWILSA-N 416.521 3.506 0 50 HHAA Cc1c(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)oc2ccc(Cl)cc12 170599016 PTRZPMZWLCHOIA-CQSZACIVSA-N 408.882 3.760 0 50 HHAA O=C(Cc1ccc(OC(F)F)cc1)N[C@H](CCO)c1ccccc1Br 225571539 ZTVDQLDLFOAHCO-MRXNPFEDSA-N 414.246 3.833 0 50 HHAA OC1CCN(CCCNCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 238158903 GBFLDLANPLFOQN-UHFFFAOYSA-N 404.558 3.535 0 50 HHAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Oc1ccc(-c2ccccc2)cc1 239184787 QZFVGTCQAMIXKK-MAMHMVEESA-N 413.473 3.702 0 50 HHAA Cc1cccc(C)c1NC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)CC1 239339176 LUIYJCWQDJMRHS-RBSFBOQHSA-N 418.537 3.854 0 50 HHAA O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)c1 239402789 RDHJLIIGGAPIEE-CMHSOIDYSA-N 410.857 3.728 0 50 HHAA Cc1ccc([C@@H](O)Cn2ccn3nc(-c4cccc(Br)c4)cc3c2=O)cc1 263616033 GOXHXODBEDUCEU-FQEVSTJZSA-N 424.298 3.968 0 50 HHAA CC(C)NS(=O)(=O)c1cccnc1N[C@@H](c1cccc(F)c1)c1ccccn1 432877895 OEFZFFDBWZCTIJ-IBGZPJMESA-N 400.479 3.504 0 50 HHAA Cc1ccc2nc(C(=O)Nc3cccc(C(=O)N4CCC[C@H](CO)C4)c3)ccc2c1 498047203 NNUMTQOCHCSXOA-KRWDZBQOSA-N 403.482 3.640 0 50 HHAA CC(C)Oc1ccc([C@H](O)CNC(=O)NCC2(c3ccc(F)cc3F)CC2)cc1 761818973 PNDLUALZTPVWLA-HXUWFJFHSA-N 404.457 3.816 0 50 HHAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(NC(=O)c2cccnc2)c1 952969852 PIFSDLQGNVGCNW-RTWAWAEBSA-N 422.529 3.995 0 50 HHAA O=C(N=c1cc(C2CCOCC2)o[nH]1)NCC1(c2ccc(C(F)(F)F)cc2)CC1 1857527080 WHXKVWIQSQLZQG-UHFFFAOYSA-N 409.408 3.863 0 50 HHAA O=C1CC[C@H](n2cc(NC(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)CN1 1875316591 BQFHKSVIPOHGKZ-NRFANRHFSA-N 403.486 3.569 0 50 HHAA O=C(Nc1cnc(-c2ccccc2)nc1)N1CCC[C@H](Cc2nnc3ccccn23)C1 2325738147 ONXKQBMCOGEMDN-QGZVFWFLSA-N 413.485 3.673 0 50 HHAA COc1ccc(CCNC(=O)c2ccsc2NC(=O)c2ccco2)cc1OC 1055154 YHPWZGAYGWWQNA-UHFFFAOYSA-N 400.456 3.583 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc(C(N)=O)c1C 1117297 WIKUPNSOAOTJDW-LLVKDONJSA-N 424.906 3.700 0 50 HHAA O=C(COc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccc(Cl)cc1Cl 2876233 IWNKTKSLJFDKJK-AWEZNQCLSA-N 423.296 3.920 0 50 HHAA C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 2906020 LNJVUKHEFHNVDJ-IBGZPJMESA-N 408.523 3.755 0 50 HHAA COc1ccc(-n2ccnc2CN2CCC[C@](CO)(Cc3cccc(OC)c3)C2)cc1 11820069 DOMJLOCFGVMPJJ-VWLOTQADSA-N 421.541 3.707 0 50 HHAA Cc1cccc(CN2CCC([C@]3(Cc4ccccc4Cl)NC(=O)NC3=O)CC2)c1 12281584 ZJARQAJOWNHFJS-QHCPKHFHSA-N 411.933 3.681 0 50 HHAA CCN(Cc1c[nH]nc1-c1cccc(F)c1)CC1CCN(C2CCN(C)CC2)CC1 12305276 QAHXAEMFJZMPRI-UHFFFAOYSA-N 413.585 3.844 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)c1 12317522 JGYICNKTQKHGIJ-GOSISDBHSA-N 406.530 3.880 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2cccs2)C1 12431530 FMSXRDNYFZAGJG-FQEVSTJZSA-N 407.557 3.633 0 50 HHAA COC(=O)c1cc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc(NC(=O)c2cccs2)c1 14880792 CUCAOCAADMEWCB-QIIPPGSGSA-N 410.495 3.615 0 50 HHAA O=C(c1ccc(Cl)cc1)N1CCOc2ccc(CN3CCCC[C@@H]3CO)cc2C1 14970804 RHLAEWOQNVYLFH-OAQYLSRUSA-N 414.933 3.722 0 50 HHAA O=C1CCCN1CCCNCc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 14993398 NUOVTLDFOVTFGN-UHFFFAOYSA-N 421.472 3.872 0 50 HHAA CN(Cc1nccs1)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 14994043 OPXAKUSZEIJUBQ-CQSZACIVSA-N 407.923 3.538 0 50 HHAA O=C(NCc1ccc(F)cc1F)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 15077448 ZPLLQHPBNMRSOO-UHFFFAOYSA-N 414.452 3.675 0 50 HHAA Cc1cc(C)nc(SCC(=O)NN=C/C(Br)=C/c2ccccc2)n1 19790569 NFRCQNYRNOGZQF-BARLHGRQSA-N 405.321 3.724 0 50 HHAA COC(=O)[C@@H]1CCCN1Cc1cn(-c2ccccc2F)nc1-c1ccc(OC)cc1 55360991 HCUDQIBUWHLRQW-NRFANRHFSA-N 409.461 3.824 0 50 HHAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(CC(=O)O)cc3)nc2)C1 71735480 FEFWROKYYIBTQW-FQEVSTJZSA-N 408.498 3.843 0 50 HHAA CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCc4ccccc4CC3)cn2)C1 170594207 OBKGILNKUGYRDC-NRFANRHFSA-N 424.545 3.696 0 50 HHAA CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)N(C)CCO2 225471379 ASDXYFMDPBAXOV-UHFFFAOYSA-N 422.312 3.923 0 50 HHAA CCOC(=O)[C@@H](NCc1cnc(Cl)s1)c1c(C)nn(-c2ccccc2)c1C 225668100 IEHBXVJBUIWTCD-KRWDZBQOSA-N 404.923 3.993 0 50 HHAA CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1cccs1 248216585 GIVXEPLJHRKPOA-XGXHKWSGSA-N 406.507 3.615 0 50 HHAA N=C(O)c1c[nH]nc1[C@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 328608549 ZNVXCLNQVIZSHR-ZDUSSCGKSA-N 411.487 3.525 0 50 HHAA COc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]43)nn2-c2ccccc2)cc1 439021862 NRYZWMCJLCDGIV-VIZSFHNOSA-N 403.482 3.845 0 50 HHAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CC[C@@](CO)(c2ccccc2)C1 462980699 XSBACFYYVWJUBS-XMMPIXPASA-N 423.944 3.848 0 50 HHAA Fc1ccc(-c2noc([C@@]3(C(F)(F)F)CCN(CCOCC(F)F)C3)n2)cc1 952894888 UPOFSIVXIHVMNB-MRXNPFEDSA-N 409.330 3.663 0 50 HHAA O=S(=O)(c1ccc2nc[nH]c2c1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 952962156 BGYGQTLFDFXJGE-QHCPKHFHSA-N 424.570 3.630 0 50 HHAA COc1cc(C)c(Br)cc1S(=O)(=O)N1CCc2ccccc2CC1 1309193354 KPBSZIORJWWGOC-UHFFFAOYSA-N 410.333 3.556 0 50 HHAA CCCO[C@@H]1CC[C@H](C(=O)N(C)Cc2ccccc2C)C[C@H]1NC(=O)C1CCC1 1875247059 JRVPXYOPODFIBC-KSEOMHKRSA-N 400.563 3.834 0 50 HHAA COc1ccccc1-c1cccc2cc(C(=O)NCCCCN3CCOCC3)oc12 1875334893 JJZPVOOYPKGPAE-UHFFFAOYSA-N 408.498 3.951 0 50 HHAA COC[C@@H](NC(=O)Nc1nnn(Cc2ccccc2F)c1C)c1ccc2[nH]ccc2c1 1875336502 GPGSDZFZCIKJCY-HXUWFJFHSA-N 422.464 3.764 0 50 HHAA COC(=O)CCSc1cc(Cl)ccc1NCc1nnnn1-c1ccccc1 1875337353 XOSUQEWDGJZJKG-UHFFFAOYSA-N 403.895 3.583 0 50 HHAA O=C(N[C@@H]1CC[C@@H](C(=O)O)CCC1(F)F)c1nn(-c2ccc(F)cc2)c2c1CCC2 1875353938 LEXBBTZQXZQFQB-SJKOYZFVSA-N 421.419 3.509 0 50 HHAA COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 638164 UEAJTBBONYZKSA-UHFFFAOYSA-N 410.923 3.877 0 50 HHAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(Br)cc1 638867 UJDAVWDVWMBSLW-UHFFFAOYSA-N 408.292 3.810 0 50 HHAA CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1 1149866 IWEJVZOQEONPKT-UHFFFAOYSA-N 418.405 3.815 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2cccc(Cl)c2)cc1 2815387 CVLCKJAPWGFISQ-UHFFFAOYSA-N 408.951 3.612 0 50 HHAA COc1ccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc1 2978191 JAVYASQMBIVOAB-UHFFFAOYSA-N 401.423 3.511 0 50 HHAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC 4740490 QXHWAMGJOCGWSZ-UHFFFAOYSA-N 418.515 3.567 0 50 HHAA COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)c1 11820298 CGLWRPHFKACCDM-HXUWFJFHSA-N 404.514 3.822 0 50 HHAA CC(C)CN1CCN(c2cccc3c2C(=O)N(Cc2ccccc2Cl)C3=O)CC1 11998166 ZDXQBRRGANCBSO-UHFFFAOYSA-N 411.933 3.914 0 50 HHAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc(Cn4cnnn4)cc3)C2)cc1 12436389 NYZJRBWMNWZPPI-QFIPXVFZSA-N 404.518 3.562 0 50 HHAA CS(=O)(=O)N1CCC(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 14348230 LSRAIZUZFCSBFX-UHFFFAOYSA-N 416.587 3.765 0 50 HHAA CCCCn1c(CN(C)Cc2ccccn2)cnc1S(=O)(=O)C1CCCCC1 15067055 VBEDEZAVXWYRCO-UHFFFAOYSA-N 404.580 3.817 0 50 HHAA Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)[C@@H](C)NC(=O)c1ccco1 16576824 SIWUYJUAXBFPSU-OAHLLOKOSA-N 400.438 3.955 0 50 HHAA COc1ccc(Br)cc1C(=O)Nc1ccc(CN2CCOCC2)cc1 19929058 NVEQEWWVBCFFHC-UHFFFAOYSA-N 405.292 3.542 0 50 HHAA COc1c(C)cnc(CSc2nc3c(=O)[nH]cnc3n2-c2ccc(C)cc2)c1C 20394358 MRQLPRXFWBYYFX-UHFFFAOYSA-N 407.499 3.730 0 50 HHAA COc1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)cc(Cl)c1OC 23360481 BTHCLNVNFNWBHX-FQEVSTJZSA-N 418.965 3.734 0 50 HHAA CC(C)(C)OC(=O)N[C@H](CO)CCCCNC(=O)OCc1ccccc1Cl 63772437 ZZPSJIPXZNNWPD-HNNXBMFYSA-N 400.903 3.622 0 50 HHAA in-vitro O=C([C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1)N1CCC(F)CC1 67654831 HFAVMZIUQOQLNG-GOSISDBHSA-N 408.521 3.809 0 50 HHAA Clc1nc(N2CCOCC2)c2sc(CC3CCN(CC4CC4)CC3)cc2n1 95704821 JJLFLNADNRVYNN-UHFFFAOYSA-N 406.983 3.846 0 50 HHAA CC(C)C[C@@](C)(NC(=O)Cc1nc2ncccn2n1)c1cccc(Br)c1 225437654 GOQONJZVNRGHPP-LJQANCHMSA-N 416.323 3.507 0 50 HHAA Cc1cccc(OCCCCC(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1 225768400 FTRCZZYBEMUZMK-NRFANRHFSA-N 408.498 3.788 0 50 HHAA COc1ccc(-c2noc([C@H]3CCCN3C(=O)Cc3ccccc3C)n2)cc1OC 263619377 YMAVXHNBSDQWGH-GOSISDBHSA-N 407.470 3.968 0 50 HHAA COCCc1noc([C@@H]2CCCCN2C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n1 952873029 UTRFKSSGWSUZNM-FQEVSTJZSA-N 408.502 3.986 0 50 HHAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCCCc4cccnc4)C3)nc2c1 1857720404 SMJWPISLSBJRQM-SFHVURJKSA-N 408.502 3.587 0 50 HHAA CN1CCC[C@@]2(CCCN2C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)C1=O 2356168473 FJKIRYHXYNAWGU-XMMPIXPASA-N 416.481 3.631 0 50 HHAA CN(C)C(=O)c1ccc(CN2CCC[C@]23CCCN(Cc2ccccc2)C3=O)cc1 2356169443 BSIRHFINSZIVSO-VWLOTQADSA-N 405.542 3.546 0 50 HHAA CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC(C)(C)OC2 751897 JDASTVRHVYWPRX-UHFFFAOYSA-N 418.540 3.903 0 50 HHAA O=C(Nc1ccc(F)cc1F)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 941768 AGSDWVBFPXWALK-FQEVSTJZSA-N 406.388 3.811 0 50 HHAA O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccccc1Cl 1172854 YAERXVHBWLRSRH-UHFFFAOYSA-N 410.326 3.957 0 50 HHAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(C)cc(C)c1O 1179930 UFOPJXIDICTWEW-UHFFFAOYSA-N 409.305 3.907 0 50 HHAA Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2780723 JKZKPKJKDHWXMT-WPRPVWTQSA-N 403.836 3.913 0 50 HHAA O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1I 2877990 UJOAQPGXVLMOOB-UHFFFAOYSA-N 420.250 3.780 0 50 HHAA COc1cccc(C(=O)NC[C@@H]2Cc3cccc(-c4nc(C)cnc4C)c3O2)c1OC 11968866 WTJLVUYSMPRQQY-KRWDZBQOSA-N 419.481 3.511 0 50 HHAA Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)[C@H]4CC45CCC5)CC3)cc2)n1 12073188 AUGOSPYKDZQRCS-OAQYLSRUSA-N 406.530 3.856 0 50 HHAA CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(Cc1ccccc1)CC2 14744264 SIWHHZPEEAAHLZ-UHFFFAOYSA-N 405.498 3.675 0 50 HHAA C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CC[C@@H](C)C2 17087443 FVNWFVJGTYFRCU-OLZOCXBDSA-N 406.548 3.985 0 50 HHAA Cc1ccn2c(CN[C@H](C)Cc3cccnc3)c(C(=O)N3CCCCCC3)nc2c1 19228074 VDPPSEUBFVOPON-LJQANCHMSA-N 405.546 3.775 0 50 HHAA CN1CCN(C(=O)CCc2nnc(CCCc3ccccc3)o2)[C@@H](c2ccccc2)C1 20455575 WIEXLDKXIMCUDC-JOCHJYFZSA-N 418.541 3.693 0 50 HHAA CN(Cc1cccc(OC[C@@H](O)CN(C)C2CCCCC2)c1)Cc1nccs1 95527028 KKKQHXVFBSQARH-FQEVSTJZSA-N 403.592 3.779 0 50 HHAA COc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3cccc(C)c3C)C2=O)cc1 101160263 GKMWKTDPHJQZIK-LJQANCHMSA-N 412.511 3.706 0 50 HHAA COc1ccc(CC(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 169760453 GFNYPRMSUNKXQR-SFHVURJKSA-N 423.469 3.669 0 50 HHAA COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239433948 YUIOLTJERQAJEI-LBVXFGTMSA-N 414.461 3.505 0 50 HHAA CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccc(F)cc1 248223414 INFCNLJSOSXEKD-IVAOSVALSA-N 418.468 3.692 0 50 HHAA O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cc(-c2ccc(F)cc2)[nH]n1 253417849 HVLBVWVHOJYVTR-UHFFFAOYSA-N 402.376 3.583 0 50 HHAA CCOC(=O)c1ccc(NC(=O)c2nc(C)n(-c3ccc(OC(F)F)cc3)n2)cc1 261490637 REUPJCLYFUJFEI-UHFFFAOYSA-N 416.384 3.606 0 50 HHAA CC(=O)N1CCC(N(Cc2cncs2)Cc2cc3c(cc2Cl)OCCO3)CC1 429180758 KRTRRBXFMGDHMX-UHFFFAOYSA-N 421.950 3.581 0 50 HHAA Cc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(-c4ccno4)o3)C(C)C)[nH]c2c1 670458675 XZVQCHKZSSAPBA-SFHVURJKSA-N 400.460 3.795 0 50 HHAA CC(C)c1ccc2c(Cl)c(C(=O)NS(=O)(=O)C[C@H]3CCCO3)sc2c1 781508427 RKRCEGPJJHNSEE-GFCCVEGCSA-N 401.937 3.917 0 50 HHAA O=C([C@H]1C[C@H]2CCCCN2C1)N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952891588 AKSWNNKTHOIQCR-PZJWPPBQSA-N 408.521 3.863 0 50 HHAA COc1c(F)cccc1CN1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857704537 WGNZVQBFHPEXAE-XMMPIXPASA-N 420.488 3.872 0 50 HHAA O=C(O)C[C@H]1C[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)CO1 1857783551 XSGVESBLDAPUMH-UPCLLVRISA-N 407.466 3.891 0 50 HHAA O=C(c1cccc(-c2ccncc2)c1)N1CCC[C@@H](n2cc(-c3cccnc3)nn2)C1 1875359064 SPMBIRZNAMUQMF-JOCHJYFZSA-N 410.481 3.879 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(-c3cccs3)nn2C)CC1 2356154898 OXKNQRWMCOIXPS-UHFFFAOYSA-N 423.538 3.861 0 50 HHAA Cc1cc(C)cc(OCc2ccc(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)o2)c1 655271 PPCMEZBVJXBYAT-LJQANCHMSA-N 414.355 3.896 0 50 HHAA Cc1cc(Cl)ccc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1 829809 PKVUVLDUAUKRSV-UHFFFAOYSA-N 418.902 3.753 0 50 HHAA COc1ccc(OC)c(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)c1 2878084 QTUBSNKWTNBHTN-UHFFFAOYSA-N 409.438 3.707 0 50 HHAA CC(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc(F)c1 4036028 ZZBZXHHYHMFVPM-LJQANCHMSA-N 403.479 3.531 0 50 HHAA COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccc(Cl)cc3)c(C)c2oc1=O 4820980 NLVRZERLHFDKEJ-UHFFFAOYSA-N 400.814 3.998 0 50 HHAA COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cc3)CC2)cc1 6715919 WRFLOBRXXVBODC-UHFFFAOYSA-N 415.493 3.910 0 50 HHAA CCC(CC)C(=O)NCc1cc(NC(=O)Cc2ccsc2)cc(C(=O)OC)c1 12198239 XSWMNKFJXPRLBT-UHFFFAOYSA-N 402.516 3.768 0 50 HHAA CCn1cc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1 12590862 ZRAPEZSHOULXAN-UHFFFAOYSA-N 406.534 3.508 0 50 HHAA CCN1C(=O)N(Cc2cccc3ccccc23)C(=O)C12CCN([C@H]1CCSC1)CC2 14744573 RDDPUAOUOVXEBZ-FQEVSTJZSA-N 423.582 3.964 0 50 HHAA CC(C)=CCC[C@@H](C)CN1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 14980541 AZWYUZJTAYIZQH-QGZVFWFLSA-N 413.566 3.659 0 50 HHAA O=C(CC[C@@H]1CCCN(Cc2ccc3cc(Cl)ccc3n2)C1)N1CCOCC1 15071841 MCSDFMWVNHNTDL-KRWDZBQOSA-N 401.938 3.739 0 50 HHAA COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(Cl)s3)CC2)c1 15071853 ZYOKHMDWVBAJTP-UHFFFAOYSA-N 408.951 3.821 0 50 HHAA C[C@H](c1ccon1)N(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 19794648 NRMMHVCNHJVBLX-MRXNPFEDSA-N 423.542 3.892 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 20117835 QLFGVQRIYTUAGX-QHCPKHFHSA-N 407.558 3.568 0 50 HHAA COc1cccc(OC)c1CN1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 20998050 XNUVMTDXBRPTGO-OAQYLSRUSA-N 413.537 3.630 0 50 HHAA O=C(CSCc1nc2ccccc2c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1 35686423 LPTWEQYXYPVNFC-UHFFFAOYSA-N 407.539 3.638 0 50 HHAA CCOC(=O)[C@@H](NC(=O)c1scnc1C1CC1)c1c(C)nn(-c2ccccc2)c1C 225522664 FQHLIJCZZYCCON-IBGZPJMESA-N 424.526 3.857 0 50 HHAA COc1cc(OC)cc(Oc2ccc(CN[C@H]3CCN(CC(F)(F)F)C3=O)cc2)c1 237360292 PGAVOGHVXVHVKS-IBGZPJMESA-N 424.419 3.749 0 50 HHAA O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCc2sccc2[C@H]1c1cccs1 252444279 NSCRMHWHGBMGRC-PXNSSMCTSA-N 423.563 3.878 0 50 HHAA C[C@]1(c2ccccc2)NC(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)C1=O 252444297 VUBUXGPATXDXTN-HTAPYJJXSA-N 406.511 3.858 0 50 HHAA Cc1cc(-c2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)nc2ccccc12 445402401 LHDWWTCAUWPHID-UHFFFAOYSA-N 420.903 3.787 0 50 HHAA O=S(=O)(C1=Cc2ccc(OC(F)F)cc2CC1)N1CCCC[C@@H]1c1cc[nH]n1 796033562 RARJUMUAUVLYER-GOSISDBHSA-N 409.458 3.855 0 50 HHAA CN(Cc1cc2ccccc2[nH]1)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1 1325263676 XHDROQVAQQOLGA-UHFFFAOYSA-N 414.513 3.680 0 50 HHAA COc1ccc2c(c1)c(C(=O)N1CCC[C@@]3(CCc4cnc(C)nc43)C1)c(C)n2C 1704302788 CTHPENRLLMHDSE-XMMPIXPASA-N 404.514 3.714 0 50 HHAA Cc1cc(CN2C[C@H](C(=O)O)C3(CCN(C(=O)CCC4(C)CC4)CC3)C2)ccc1F 1857683541 ISYMGVJZELNAQJ-LJQANCHMSA-N 416.537 3.840 0 50 HHAA O=C(c1ccc(CO)cc1)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1875251342 ZUEZKEZJZQCUPO-BJKOFHAPSA-N 417.461 3.863 0 50 HHAA NC(=O)c1ccc(NC(=S)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 1875252811 GNHOFOQAFQDMHC-UHFFFAOYSA-N 423.538 3.581 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 1875369366 KILFVYYLTIBDGG-CYBMUJFWSA-N 401.507 3.859 0 50 HHAA O=S(=O)(c1cccc(F)c1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 2050025155 WUVCBRMWSJGJQF-UHFFFAOYSA-N 405.426 3.583 0 50 HHAA CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc(C(=O)N(C)C)c1C 656971 XNCYFHVYLCUSCO-UHFFFAOYSA-N 424.906 3.849 0 50 HHAA O=C(C1CCN(C[C@@H]2CC=CCC2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 795503 RJWUKQZQIJQCMM-KGUVVTLUSA-N 407.602 3.912 0 50 HHAA C/C(=C\c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 1132612 UAJXEOLJIYMFRX-CCEZHUSRSA-N 408.483 3.628 0 50 HHAA COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 1176430 XCNHRFCVVOJMOA-MRXNPFEDSA-N 417.465 3.705 0 50 HHAA Cc1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C 1205947 KNYKUTIRVKDNDS-UHFFFAOYSA-N 412.298 3.592 0 50 HHAA Cc1ccc([C@H](C)NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c(C)c1 2763988 OHYBHPORFODSCT-NSHDSACASA-N 401.315 3.749 0 50 HHAA Cc1cc(Cl)ccc1NC(=O)Cn1cnc2ccc(Br)cc2c1=O 4542326 DKIHEQVOYTZSCQ-UHFFFAOYSA-N 406.667 3.760 0 50 HHAA COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1ccccc1 4614814 XFPDBOOYACMTEF-UHFFFAOYSA-N 406.438 3.974 0 50 HHAA CC(C)Cc1ccc(CN2CCC3(CC[C@H](CNC(=O)c4ccnn4C)O3)CC2)cc1 12041677 ZEZMMYIKNQHIBA-JOCHJYFZSA-N 424.589 3.562 0 50 HHAA O=C(NC1CC1)[C@@H]1C[C@H](Sc2ccc(F)cc2)CN1Cc1ccc2c(c1)OCO2 12050525 CWYSCKONUFXJHW-OALUTQOASA-N 414.502 3.568 0 50 HHAA COc1ccc(CCNC(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C)cc1 12279829 UTONQOXOEUFAOU-UHFFFAOYSA-N 419.510 3.680 0 50 HHAA CN(C)CCNC(=O)CCC1CCN(Cc2cccc(OC3CCCC3)c2)CC1 12474517 XJDQTFRULAGXTM-UHFFFAOYSA-N 401.595 3.678 0 50 HHAA Fc1ccc(CN2CCN(C(=S)Nc3ccc4c(c3)OCO4)CC2)c(Cl)c1 20363905 XIAIOVKDORZNBR-UHFFFAOYSA-N 407.898 3.722 0 50 HHAA C[C@@]1(NC(=O)CN2CCN(c3ccccc3)CC2)CCCC[C@@H]1c1ccc(O)cc1 55552697 QJDUGJCDLGRUEZ-ILBGXUMGSA-N 407.558 3.747 0 50 HHAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1 65361784 GSURDOJIJNEVQM-UHFFFAOYSA-N 408.428 3.590 0 50 HHAA O=C1C[C@@H](SCCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(F)c(Cl)c1 100774936 XHWSBCIMTXDORR-MRXNPFEDSA-N 403.866 3.963 0 50 HHAA CCOc1ccccc1NC(=O)CS[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O 101160333 VGEZCEJOVKVEKP-LJQANCHMSA-N 412.511 3.706 0 50 HHAA COc1cccc([C@@H]2Cn3nnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)c1 169758471 JXAZCVGWPLYTQH-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA Cc1sc2nc([C@H](C)OC(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)[nH]c(=O)c2c1C 221999312 LCKYULGSCNFWNK-RZHZFSTPSA-N 402.516 3.537 0 50 HHAA Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc(Br)o3)nn12 227143760 DUNNHZNNOQROFY-UHFFFAOYSA-N 401.249 3.831 0 50 HHAA C[C@H]1[C@H](C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CCCN1C(=O)OC(C)(C)C 241465993 NTSIXYCCMDKUEO-DOTOQJQBSA-N 416.497 3.663 0 50 HHAA Cn1cc([C@H]2[C@H](CNC(=O)c3ccc(C4CCC4)cc3)CC(=O)N2C(C)(C)C)cn1 328602921 DDVBIXNSGHFEEP-SIKLNZKXSA-N 408.546 3.806 0 50 HHAA CSCC[C@H](NC(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2n1C 409414758 WOCVUFQVIWFKBK-INIZCTEOSA-N 412.515 3.596 0 50 HHAA C[C@H](NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)c1ccc2nc(O)[nH]c2c1 1320235022 LHVMZJVDXPYVPC-NSHDSACASA-N 415.375 3.964 0 50 HHAA CC(C)Oc1ccc(OCCN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc1 1704337521 VHVRLJLDUFTWFH-NLFFAJNJSA-N 406.526 3.936 0 50 HHAA Clc1ccc([C@H]2CN3C[C@@H](NC4CCN(C5CCCC5)CC4)C[C@H]3CO2)cc1 1857722916 PJRMRTWSPVCXOR-ACIOBRDBSA-N 403.998 3.851 0 50 HHAA Cc1nc2c([nH]1)CN(C(=O)C[C@@H]1CCCN(c3nc4ccc(Cl)cc4o3)C1)CC2 1857727404 QZJOFUMDRGIQHP-AWEZNQCLSA-N 413.909 3.704 0 50 HHAA C[C@H](OC[C@H](O)CN1CCN(c2ccncc2Cl)CC1)c1ccc(Cl)cc1 1875253080 QFNRSUWDTAOHSZ-MAUKXSAKSA-N 410.345 3.649 0 50 HHAA O=C(Nc1nc(Cc2ccccc2)cs1)C(=O)NC1(c2ccc(F)c(F)c2)CC1 1875258276 YECOSQSSOQKGLD-UHFFFAOYSA-N 413.449 3.756 0 50 HHAA O=C1NC[C@H](Cc2ccc(F)cc2)C(=O)N1Cc1ccnc(OC2CCCCC2)c1 1875289956 ATJHLFRINGVKER-SFHVURJKSA-N 411.477 3.843 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3csc([C@@H](N)C(C)C)n3)CC1)OCC2 2356147316 QUWOKFZCEZWPLE-IBGZPJMESA-N 415.559 3.512 0 50 HHAA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(O)cc2)NC(=S)N1 823189 GJPSEKNXMPDOKM-MRXNPFEDSA-N 418.316 3.586 0 50 HHAA C[C@@H](Cc1ccccn1)NC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 11668255 HLRNSDUYZHORLZ-AWEZNQCLSA-N 418.419 3.754 0 50 HHAA Cc1ccc(CNC(=O)c2sc3ncnc(NC[C@H]4CCCO4)c3c2C)cc1F 12128456 ANCMJHRHMJBXLB-OAHLLOKOSA-N 414.506 3.968 0 50 HHAA CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@@](C)(c3ccc(Br)cc3)O2)cc1 12364131 MFXOVSDCFCNSRY-LJQANCHMSA-N 417.259 3.788 0 50 HHAA O=C1CC[C@H](CCNCCOc2ccccc2)N1CC1(c2ccccc2)CCOCC1 12512563 BYQFOMZYCXGCCD-HSZRJFAPSA-N 422.569 3.785 0 50 HHAA O=C(CCc1cnccn1)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 12755247 KPJIPSFFIDHLFM-UHFFFAOYSA-N 402.376 3.668 0 50 HHAA Cc1nn2c(NCCN3CCOCC3)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 21799272 PDYOWETVPQLIEW-UHFFFAOYSA-N 411.525 3.885 0 50 HHAA CCN(CCn1cccn1)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 23129316 XYRKSHXKVAEINZ-UHFFFAOYSA-N 414.579 3.521 0 50 HHAA O=C(NCc1ccccc1)c1cccc(OC2CCN(CCCn3cccn3)CC2)c1 23379880 PSDSNMARMOLJOV-UHFFFAOYSA-N 418.541 3.747 0 50 HHAA CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 170629965 OTVZKCKLQUMQMA-SNVBAGLBSA-N 406.367 3.879 0 50 HHAA CC(C)Cn1cnc(S(=O)(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c1 222139970 BJFUIAAQWHLWPQ-WOJBJXKFSA-N 405.564 3.596 0 50 HHAA C/C(=C\c1ccccc1)CN1CCOc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2C1 299771837 VXXQQNCGUUAICH-YSSBIZNGSA-N 419.569 3.682 0 50 HHAA COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@H](C)c1nc2ccccc2n1C 334162488 VHRFGBMMJDXAPK-OAHLLOKOSA-N 419.481 3.807 0 50 HHAA COCCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 409415027 RNSYTVZHTBTVMV-KNQAVFIVSA-N 404.599 3.742 0 50 HHAA O=C(Cc1ccc(F)cc1Cl)NCCC(=O)Nc1ccc(Br)cc1 487228482 UFWKKOJNCJOXHB-UHFFFAOYSA-N 413.674 3.929 0 50 HHAA COc1ccc(CCN(Cc2ccncc2)C(=O)CCc2c(C)nn(C)c2C)cc1 824664745 LKSMVRRCKFTWIJ-UHFFFAOYSA-N 406.530 3.645 0 50 HHAA Cc1ccc(NC2(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)CCCCC2)cc1 1506397596 DZYQWZOPAKLKOC-UHFFFAOYSA-N 418.534 3.839 0 50 HHAA CCCCSCc1cc(C(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)oc1C 1772708077 ARAICDVZKYPVES-IBGZPJMESA-N 400.544 3.805 0 50 HHAA COc1cccc([C@H](O)CN(Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)c1 2325742839 YDTNNOUWLBZDKR-PLQXJYEYSA-N 407.510 3.973 0 50 HHAA CCOc1ccc(CCNC(=O)c2cc3cccc(OC)c3oc2=O)cc1OCC 719195 KSCKWCVQKYOTEO-UHFFFAOYSA-N 411.454 3.572 0 50 HHAA biogenic CCSc1nnc2c(n1)O[C@H](c1ccc3c(c1)OCO3)N(C(C)=O)c1ccccc1-2 795569 IXYPGSDEQUHHAR-HXUWFJFHSA-N 422.466 3.823 0 50 HHAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 853933 JUVNOQZQZGPOCX-IFMALSPDSA-N 422.481 3.616 0 50 HHAA biogenic CCOc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 854603 BTMDKMJQXFYQCW-UHFFFAOYSA-N 416.421 3.509 0 50 HHAA COc1cc(Br)cc2cc(C(=O)N3CCc4ccccc43)c(=O)oc12 1068091 MYQMCLJTYAPQHY-UHFFFAOYSA-N 400.228 3.767 0 50 HHAA COc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1OC 1123304 TUQGDPXKMVWEOM-XBXARRHUSA-N 402.878 3.846 0 50 HHAA CC[C@@H](C)NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 3004198 RCCAZVJCZZCMLT-MRXNPFEDSA-N 408.951 3.754 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 4163538 NPJKEALJGNVULE-MJVIPROJSA-N 400.426 3.514 0 50 HHAA O=C1c2ccccc2[C@@]2(O)OC(c3ccccc3)=C(c3nc4ccccc4s3)[C@@]12O 5446549 BWXCLGRJFGOIBY-DNQXCXABSA-N 413.454 3.968 0 50 HHAA COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@](C)(O)C2 5735995 ZWRRJEICIPUPHZ-SFDCACGMSA-N 416.470 3.602 0 50 HHAA biogenic,in-man Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)Cc2c[nH]c4ccccc24)O3)n1 12124990 KCFUSPVWXRKOGR-FQEVSTJZSA-N 412.493 3.904 0 50 HHAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 14531706 DYKNHZMIGGEFLY-UHFFFAOYSA-N 416.525 3.607 0 50 HHAA CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(CCc3ccccc3)CC2)C1=O 14746774 YTRQZGFCUQVERB-UHFFFAOYSA-N 419.569 3.979 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc(C)nn2CC)C1 14972889 PHPFZMXTABDFMW-JOCHJYFZSA-N 419.472 3.518 0 50 HHAA CCOc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(C)cc5)no4)c3CO2)cc1 169759063 MXQFIGXCAODUTG-IBGZPJMESA-N 403.442 3.974 0 50 HHAA Clc1ccc2c(c1)c1cc(Cl)ccc1n2C[C@H]1CN2CCOB(OCC2)O1 195815848 VIQOMLXNYDNRLI-OAHLLOKOSA-N 405.090 3.834 0 50 HHAA CCc1ccc(-c2c(C)sc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C(N)=O)cc1 239173875 OVVNVVHHKZMHOS-UOVPBQLFSA-N 424.522 3.846 0 50 HHAA Cc1cccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)C(=O)c2ccccc2)c1 239338628 KVOJDABPDJXEKZ-PPMYUTJDSA-N 412.489 3.652 0 50 HHAA O=C1c2ccccc2CN1CCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299764720 CURWLCKTLFUGSE-BDTNDASRSA-N 414.509 3.961 0 50 HHAA Oc1ccc(N=c2[nH]c3cc(Br)cnc3[nH]c2=Nc2ccc(O)cc2)cc1 334163504 VHBRBEZKHSDPGV-UHFFFAOYSA-N 424.258 3.530 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc2nc(C)ccc2c1 448162532 ZHVPWQGJGOMPBP-UHFFFAOYSA-N 423.538 3.777 0 50 HHAA CN1C(=O)C[C@@H](CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)[C@@H]1c1cnn(Cc2ccccc2)c1 486420378 UAYRLSDEPHSADW-ABEYUDSLSA-N 418.585 3.865 0 50 HHAA O=C(NCc1n[nH]c2c1CCCCC2)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 670473304 ACUYVHNGPVBLLH-UHFFFAOYSA-N 414.937 3.501 0 50 HHAA Cc1ccc(N2CC[C@H](CNC(=O)CCSc3nnc(-c4ccncc4)o3)C2)cc1 952862650 PFUNEYUVJGRPCZ-QGZVFWFLSA-N 423.542 3.565 0 50 HHAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCC([C@H](O)c2cccs2)CC1 1506406042 DKJUGPOASYQCEX-FQEVSTJZSA-N 407.919 3.687 0 50 HHAA Nc1ncc2c(n1)[C@]1(CCCN(Cc3ccc(OCc4ccccn4)cc3)C1)CC2 1704311757 BSIHYDVLMJSUTF-XMMPIXPASA-N 401.514 3.513 0 50 HHAA CCCN1CC[C@@H](CNC(=O)c2ccc(OC)c(Oc3ccc(CN)cc3F)c2)C1 1857692379 BPBGKFASTBVVGW-KRWDZBQOSA-N 415.509 3.547 0 50 HHAA CSCC[C@H]1NC(=S)N([C@@H](C)c2ccc(OCc3cccnc3)cc2)C1=O 1875315109 IWXFIXDLGQXQPZ-KBXCAEBGSA-N 401.557 3.560 0 50 HHAA Cc1noc(C)c1CCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@H](C)CC1)C2 1875330641 WWKYJPQWAIWEEE-JLPWOHBFSA-N 415.578 3.795 0 50 HHAA CCc1ccc(-c2cn(Cc3ncoc3CNC(=O)[C@@H](C)c3ccc(C)o3)nn2)cc1 1875338269 RFLPCVWWCDTPEN-INIZCTEOSA-N 419.485 3.865 0 50 HHAA C[C@H]1CN(c2cc(C(=O)N3CCCc4cc(C(F)(F)F)ccc43)ccn2)CCO1 2325738232 ATCGWXQMORATGB-AWEZNQCLSA-N 405.420 3.919 0 50 HHAA O=C(c1ccco1)N1CCN(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)CC1 812259 CYMDEBLMJOLOBJ-UHFFFAOYSA-N 420.465 3.539 0 50 HHAA Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N[C@@H](C(=O)O)C(C)C)cc1 2830470 OMOCXVYIFPLUGK-TVNWYLLRSA-N 414.889 3.645 0 50 HHAA CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 2851377 MGFZEQIUHYILRQ-UHFFFAOYSA-N 417.314 3.699 0 50 HHAA COc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1 4725617 MKYNXROZNVWZDY-NVNXTCNLSA-N 406.866 3.754 0 50 HHAA COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2C)cc1OC 9263302 ULLZKKHKAARITQ-UHFFFAOYSA-N 420.441 3.508 0 50 HHAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)C2CCOCC2)C3)c1 12211485 MYRISHCBQLLQRS-IBGZPJMESA-N 411.473 3.850 0 50 HHAA CC(C)CS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2ccon2)n1Cc1ccccc1 12300640 XLWVPALPBCCPGR-KRWDZBQOSA-N 416.547 3.542 0 50 HHAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4c[nH]nc4C)C3)cc2)c1 12302259 LWUDQMVYRNXHSZ-LJQANCHMSA-N 418.497 3.885 0 50 HHAA CCCCn1c(CN(C)CC[C@@H](C)N2CCCC2)cnc1S(=O)(=O)CC1CCC1 12445478 NPYGAIVRFLYIHX-LJQANCHMSA-N 424.655 3.563 0 50 HHAA O=C(NCCCc1ccccc1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12612328 APZOLJPWWXZAOG-UHFFFAOYSA-N 406.526 3.829 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@]2(CCCN(CCc3ccccc3)C2)C1 12710792 VYIOPDGVDRTGAK-VWLOTQADSA-N 408.590 3.527 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(Cl)cc1 16448584 LZUXOBVBSVQNMI-UHFFFAOYSA-N 420.840 3.759 0 50 HHAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)C1 17082481 HMUFGBIGWBOOGP-LSDHHAIUSA-N 402.516 3.515 0 50 HHAA COc1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccc(OC)cc2C)c(C)c1 20616961 CUBGSGYQYRRQIO-UHFFFAOYSA-N 408.458 3.559 0 50 HHAA CCOc1ccc(CN2CCN(Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)cc1 23375507 WNYIEJZEOGQMMJ-IBGZPJMESA-N 404.938 3.513 0 50 HHAA Cc1ccc(CN2CCC(C(=O)N(C)Cc3nc(-c4cccs4)no3)CC2)cc1 67601876 IZHSGIVQNAMWMQ-UHFFFAOYSA-N 410.543 3.977 0 50 HHAA O=C(N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1cccc(Br)c1 169754268 CJBVUFOQLCMDCO-AWEZNQCLSA-N 417.332 3.909 0 50 HHAA C[C@H]1CN(CCC(=O)N[C@H](C)c2cnn(-c3ccccc3)c2)Cc2ccccc2O1 216028628 LEVBHEHWBXAUTO-RBUKOAKNSA-N 404.514 3.723 0 50 HHAA CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 239121133 JJCYSELBNHRKNJ-HSGJQSDISA-N 403.478 3.510 0 50 HHAA Cc1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 239425830 VHUVKDDMOCJLGT-PXVQWCDCSA-N 416.521 3.884 0 50 HHAA Fc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc6c(c5)OCO6)no4)cc3CO2)cc1 263617946 QONLCKZDEBXDQV-IBGZPJMESA-N 406.373 3.739 0 50 HHAA c1cnc(-c2noc([C@@]34CCC[C@@H]3CN(Cc3ccc(OCC5CC5)cc3)C4)n2)cn1 328606422 RNBKCUYUGYECJD-NTKDMRAZSA-N 417.513 3.869 0 50 HHAA C[C@H]1C[C@H](NC(=O)c2ncoc2-c2ccc(F)cc2)c2ccsc2S1(=O)=O 461614959 QSLSSZQSCPAHCG-HZMBPMFUSA-N 406.460 3.579 0 50 HHAA Cc1cc(N2CCC[C@H](NCc3cc4cnn(C(C)C)c4nc3Cl)C2)nc(C)n1 731452358 YZHZSKGXZSERBQ-SFHVURJKSA-N 413.957 3.831 0 50 HHAA CC[C@@H](C(=O)Nc1ccnn1C1CCN(C)CC1)n1cc(C(C)=O)c2ccccc21 1506397583 WONFARPRGKFYGV-FQEVSTJZSA-N 407.518 3.897 0 50 HHAA CCCCN1CCC[C@@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCc2cnn(C)c2)C1 1875248061 WDYRUTOTOFZTFQ-XMMPIXPASA-N 410.610 3.622 0 50 HHAA Cc1ccc(N2C[C@H](c3nc(-c4cccc(Cn5ccnc5)c4)no3)CC2=O)c(F)c1 1875260225 DEZSEOBIXJEDMH-GOSISDBHSA-N 417.444 3.949 0 50 HHAA C[S@@](=O)c1cccc(C(=O)N=c2nc(-c3cccc(C(F)(F)F)c3)[nH]s2)c1 1875315908 MHYWAQXRHKZQGP-HHHXNRCGSA-N 411.430 3.636 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)NC[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 1875369630 ZLQSZDVCBPJFSX-QGZVFWFLSA-N 413.518 3.578 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 1875372194 ZHSYYTUTRVUJTP-IBGZPJMESA-N 413.518 3.562 0 50 HHAA Cc1ccc2cc(NC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)ccc2n1 720575 FQCCSDDXZAEYNX-UHFFFAOYSA-N 403.463 3.844 0 50 HHAA CN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 1162841 AUSMAYJPJWBYIX-UHFFFAOYSA-N 406.813 3.618 0 50 HHAA Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccco1 2388775 BIOITXVLEMKBMU-UHFFFAOYSA-N 417.800 3.655 0 50 HHAA COc1ccc(Cl)cc1C(=O)NCCCNC(=O)c1cc(Cl)ccc1OC 2749695 YLGXVTRAUNRCGU-UHFFFAOYSA-N 411.285 3.561 0 50 HHAA NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1 2876195 INXLVXAPGDCVCH-UHFFFAOYSA-N 410.373 3.865 0 50 HHAA C[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccccc1 2966954 MRMMUZLYVIQSLJ-QGZVFWFLSA-N 412.486 3.898 0 50 HHAA O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 4261697 VGLMEBSZWBJGQV-XMMPIXPASA-N 405.586 3.722 0 50 HHAA COc1ccc(-c2nnc(SCC(=O)c3ccc(NC(C)=O)cc3)o2)cc1OC 4434295 ZIRGJZWXUYLNQH-UHFFFAOYSA-N 413.455 3.687 0 50 HHAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccccc2Br)o1 4541950 REBDBUDMSVILLK-INIZCTEOSA-N 405.248 3.900 0 50 HHAA COCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 4952893 FFYQWEGNHYCCDP-NEPJUHHUSA-N 402.804 3.573 0 50 HHAA O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn12)NC1CCCCC1 9743686 XSZKKIZMYKLQOL-UHFFFAOYSA-N 412.925 3.771 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CCn1cnc2ccccc21 12315911 VYJGOACNRFKUPC-UHFFFAOYSA-N 422.548 3.979 0 50 HHAA COCCc1nc2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCCC3)cc2o1 12571338 CEKBNQMKVLRQIG-OAQYLSRUSA-N 407.514 3.974 0 50 HHAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1ccc(Cl)cc1)CC2 14731893 VKGGOKFMCBTILV-QGZVFWFLSA-N 412.921 3.586 0 50 HHAA COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(C(=O)[C@@H]1CCCO1)C2 20272306 FBPUNARNYSWWPJ-KRWDZBQOSA-N 410.495 3.872 0 50 HHAA CCc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 20455790 QNDHJIOGOFHUCT-QHCPKHFHSA-N 420.601 3.985 0 50 HHAA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(SC)cc2)CN1Cc1cccc(Cl)c1 39557880 VYDNVLLAQKLFSZ-QUCCMNQESA-N 403.979 3.541 0 50 HHAA Cc1nonc1N1CCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 55153454 BHRKGASYWLLGQE-UHFFFAOYSA-N 400.486 3.757 0 50 HHAA CCCCn1c(CN2CCC[C@H](OCCC)C2)cnc1S(=O)(=O)CC1CCC1 55327172 DVIDJUCDRGIJKF-FQEVSTJZSA-N 411.612 3.648 0 50 HHAA O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@@H]1CC12CCNCC2 67847595 PNJIUJKDJLPRDK-KRWDZBQOSA-N 405.420 3.899 0 50 HHAA CC(C)Oc1cccc2c1c(NC(=O)CCc1nncn1C)nn2-c1cccc(F)c1 77407007 QMILUVUPHNOMTR-UHFFFAOYSA-N 422.464 3.652 0 50 HHAA COc1cc(-c2nc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)no2)cc(OC)c1OC 169755349 PZRLVSCYSCZLIP-HNNXBMFYSA-N 409.442 3.591 0 50 HHAA COCCn1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c2ccccc2c1=O 223241909 QDKCQQISKQLQCI-OAQYLSRUSA-N 418.497 3.651 0 50 HHAA O=C(Cn1cccc(C(F)(F)F)c1=O)NCCc1nc(C2CCCCC2)cs1 261417165 YEYWMEQEIJSHED-UHFFFAOYSA-N 413.465 3.730 0 50 HHAA CCS(=O)(=O)c1cccc(CC(=O)N2CCS[C@H](C)[C@@H]2c2ccccc2)c1 461011189 BXYIVMAXOSXLAM-IIBYNOLFSA-N 403.569 3.728 0 50 HHAA COC[C@H](C)NC(=S)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 731493204 WBZRTQFSPVBOLE-INIZCTEOSA-N 412.559 3.907 0 50 HHAA O=C(c1ccc(Cl)nc1C(F)(F)F)N1CCN(c2ccc(Cl)cn2)CC1 789964563 XFMWDXJSCUVMLT-UHFFFAOYSA-N 405.207 3.765 0 50 HHAA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(OCc2cccc(F)c2)c1 826616534 DESMLAZIJRDVNZ-GOSISDBHSA-N 410.489 3.926 0 50 HHAA Fc1ccc(-c2nnc(CCc3nc(-c4ccccn4)no3)o2)c(Br)c1 1322380022 VLAJZCGZMXGCCL-UHFFFAOYSA-N 416.210 3.868 0 50 HHAA Cc1cccc(-c2cnc(NC(=O)[C@H](C)NC(=O)c3n[nH]c4ccccc34)s2)c1 1449136150 ICITXUQMMMALDQ-ZDUSSCGKSA-N 405.483 3.752 0 50 HHAA CO[C@@H]1CCC[C@]12CCCN(Cc1cccc(OCCCCN3CCOCC3)c1)C2 1704357077 BRVRCOASGSGKOX-JWQCQUIFSA-N 416.606 3.959 0 50 HHAA Cc1ccc(C(=O)N2CCC[C@]3(CCc4c(N5CCCC5)nc(C5CC5)nc43)C2)cn1 1875245424 ZIKDXLBNBVZWMC-VWLOTQADSA-N 417.557 3.778 0 50 HHAA CC(C)[C@H]1CCc2sc(C(=O)NS(=O)(=O)Cc3noc4ccccc34)cc2C1 1875354722 MZDSCQHECZYPII-ZDUSSCGKSA-N 418.540 3.910 0 50 HHAA Clc1ccc(CN=c2[nH]c(N3CCN4CC5(CC5)C[C@H]4C3)nc3ccccc23)cc1 2325866501 NJPBJHMCIBTNTB-IBGZPJMESA-N 419.960 3.992 0 50 HHAA CCOc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 1173999 AYICYZGFZXKFHX-UHFFFAOYSA-N 409.305 3.983 0 50 HHAA COC(=O)c1ccccc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 3016868 XZVGVADDAIMEPJ-UHFFFAOYSA-N 402.859 3.710 0 50 HHAA COc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=N)NC1=O 5102339 QGXLDZJGLDCLFJ-BOPFTXTBSA-N 404.875 3.945 0 50 HHAA CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2c(F)cccc2Cl)CC(=O)N1 9560071 IMLCNRMATREJPD-CYBMUJFWSA-N 417.820 3.829 0 50 HHAA Cc1c(C(=O)NC(C)(C)C)sc2ncnc(NC[C@@H]3COc4ccccc4O3)c12 11996072 UKOKQGNYRAUVQV-CYBMUJFWSA-N 412.515 3.780 0 50 HHAA Cc1cc(C)n(CCC(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ccncc4)c3O2)n1 12079504 RXJZXOPUZHDGGD-LJQANCHMSA-N 410.905 3.725 0 50 HHAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2cc(OC)c3c(c2)OCO3)C1 14947880 FTFNEYVOYXDDAF-OAHLLOKOSA-N 401.434 3.667 0 50 HHAA Cn1cc(CN2CCC(CCC(=O)NCc3cccc(C(F)(F)F)c3)CC2)cn1 14962687 LFYPUDCQIALBNU-UHFFFAOYSA-N 408.468 3.748 0 50 HHAA CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 17089159 NBCMBGKHRJMGEP-JKSUJKDBSA-N 412.467 3.809 0 50 HHAA CCCOc1ccc(N2C(=O)C[C@@H](SCCc3nc4ccccc4[nH]3)C2=O)cc1 19858051 PMIUOTLJNZGYEB-LJQANCHMSA-N 409.511 3.960 0 50 HHAA O=C(CCN1CCN(Cc2cccc3ccccc23)CC1)Nc1ccc2c(c1)OCO2 19900048 DIFUIZVLIRSVHO-UHFFFAOYSA-N 417.509 3.715 0 50 HHAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1 55182705 DETJZQXMLAOUAZ-HSZRJFAPSA-N 405.542 3.624 0 50 HHAA COc1ccc(CN2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)c(C)c1C 104328268 PESUMELBLDGGOS-JOCHJYFZSA-N 404.501 3.659 0 50 HHAA Cc1cccc2c1CCN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 195734717 HRSRZSBJKVBYMN-MRXNPFEDSA-N 418.946 3.638 0 50 HHAA COc1ccc2occ([C@H]3CC(=O)Oc4ccc5c(c43)OC(C)(C)CC5=O)c(=O)c2c1 217926385 NSTNUYVMORSBQZ-CQSZACIVSA-N 420.417 3.986 0 50 HHAA biogenic CCOC(=O)[C@H](NCc1cnc(Cl)s1)c1c(C)nn(-c2ccccc2)c1C 225668071 IEHBXVJBUIWTCD-QGZVFWFLSA-N 404.923 3.993 0 50 HHAA COc1ccc([C@H]2Cn3nnc(C(=O)Nc4cccc(C(F)(F)F)c4)c3CO2)cc1 263618551 UHWXAKINMQZOSP-QGZVFWFLSA-N 418.375 3.829 0 50 HHAA CCS(=O)(=O)c1cccc(CC(=O)N2CCS[C@@H](C)[C@H]2c2ccccc2)c1 461011190 BXYIVMAXOSXLAM-KKSFZXQISA-N 403.569 3.728 0 50 HHAA O=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccnc1 462725355 GNJNQIPPAHUGPD-UHFFFAOYSA-N 408.458 3.552 0 50 HHAA CC[C@@](O)(C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1 800539747 LOKAGPXRTHAPQS-QFIPXVFZSA-N 405.897 3.673 0 50 HHAA NCc1ccc(-c2noc([C@@H]3CN(C(=O)c4ccco4)c4ccccc4O3)n2)c(F)c1 1875340831 UNESEYYHOQSRDK-IBGZPJMESA-N 420.400 3.708 0 50 HHAA Cc1ncc(CCC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)c(O)n1 2325823709 BHGADLJEOQSMAH-SFHVURJKSA-N 418.335 3.713 0 50 HHAA CC(C)(C(=O)N[C@@H](CCc1ccncc1)C(=O)O)c1csc(-c2cccs2)n1 2325877002 HDCRWPRMXKZXPL-AWEZNQCLSA-N 415.540 3.746 0 50 HHAA Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2C1=O 1154157 MZVLSKNLWMTLDF-UHFFFAOYSA-N 417.392 3.974 0 50 HHAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(OCc2ccccc2)c(OC)c1 1159839 YNVDQKOULNOBSN-SFHVURJKSA-N 416.861 3.729 0 50 HHAA COc1cc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)cc(OC)c1OC 1420866 PSLIFICHYBDCLL-ZDUSSCGKSA-N 401.459 3.827 0 50 HHAA CCn1cc(C(=O)NC(=S)Nc2sc3c(c2C(=O)OC)CCCCCC3)cn1 2356070 DTVRPXOVDRDBKJ-UHFFFAOYSA-N 420.560 3.537 0 50 HHAA CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)c(C)cc2OC)CC1 2856047 ZSRMFTALRJJNML-UHFFFAOYSA-N 424.950 3.567 0 50 HHAA Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3cccnc3)C2=O)c1 4738700 MLGSIIYYICKSLD-OAQYLSRUSA-N 414.465 3.756 0 50 HHAA O=C(NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1)C1(c2ccc(Cl)cc2)CC1 11812918 WICAWJNFTXTZEF-IBGZPJMESA-N 405.885 3.949 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 11814041 JTIVVXBZSWBBED-LJQANCHMSA-N 413.472 3.627 0 50 HHAA CN(Cc1cscn1)C(=O)[C@H]1CC12CCN(Cc1cn(C)c3ccccc13)CC2 11881539 ZXCYWQGODADRLZ-HXUWFJFHSA-N 408.571 3.896 0 50 HHAA Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2cccc(F)c2)c2cccnc2)ccc1F 11907077 PKRHDWLDBHUBAY-HXUWFJFHSA-N 416.449 3.613 0 50 HHAA CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2 12098687 ZBPXDNJXLPENPB-LJQANCHMSA-N 417.557 3.837 0 50 HHAA Cc1ccccc1CSc1nnc([C@H](C)NC(=O)CSc2ccccn2)n1C 12213687 AIDRHUPNNMZHNJ-HNNXBMFYSA-N 413.572 3.780 0 50 HHAA COc1ccccc1-n1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c(C)cc(C)nc21 12446464 XIIAKJWBRDPEFD-UHFFFAOYSA-N 421.884 3.875 0 50 HHAA O=C(c1ncoc1C1CC1)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 12458014 ILPIETSFYISEFB-JOCHJYFZSA-N 401.457 3.959 0 50 HHAA O=C(c1ccco1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 14971937 VOOUQPCFSUTYQC-HSZRJFAPSA-N 408.542 3.780 0 50 HHAA Cc1nc(N2CCC[C@@H]2C(=O)NCc2nc3ccccc3s2)nc2ccc(F)cc12 14990760 KJRFODARGPTUQV-GOSISDBHSA-N 421.501 3.972 0 50 HHAA O=S(=O)(C[C@@H](CN1CCCCC1)N1CCCCC1)c1ccc2ccccc2c1 20060023 GJUQNXFCNZTWKL-JOCHJYFZSA-N 400.588 3.954 0 50 HHAA O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 36011478 RSULOEGYCWNJRA-UHFFFAOYSA-N 402.535 3.858 0 50 HHAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(CCC3CCCCC3)CC2)C1 82108167 HVAVMBBOKONSHE-QFIPXVFZSA-N 412.622 3.845 0 50 HHAA C[C@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)C(=O)c1ccccc1 197192078 MRUWHASBVVNYNC-SIPRGPJJSA-N 417.461 3.650 0 50 HHAA COc1ccc(-c2cc(C(=O)N[C@H](CC(C)C)c3nnc4ccccn34)[nH]n2)cc1 223226989 OWHRXEBTXDGMHD-GOSISDBHSA-N 404.474 3.645 0 50 HHAA C[C@@H]1Oc2c(cccc2C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)NC1=O 225420487 RQKAMEBRVHEZOL-LXIYXOSZSA-N 400.862 3.662 0 50 HHAA O=C(Nc1cnc(N2CCOCC2)c(Br)c1)[C@@H]1CSc2ccccc21 225602086 PFXCSHWFMQZPBM-CQSZACIVSA-N 420.332 3.509 0 50 HHAA CCN(CC)c1ccc(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)cc1 225799275 SZJVGKCCKYWXCK-NRFANRHFSA-N 411.550 3.502 0 50 HHAA OC1(c2cccnc2)CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 828605395 VVTRDRSYRYAHIN-UHFFFAOYSA-N 411.509 3.813 0 50 HHAA Cc1ccc2nc(CN3CC[C@@](O)(c4ccccc4)[C@H]4CCCC[C@H]43)cc(=O)n2c1 1506423866 XMXFWVVIVVWPLA-SGIRGMQISA-N 403.526 3.655 0 50 HHAA COC(=O)/C=C/CCNC(=O)[C@H]1CCCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C 1875314417 WWDHHKVTPBLEPQ-MLLMCGKQSA-N 400.519 3.592 0 50 HHAA O=C1NCCN(Cc2cc3ccc(F)cc3nc2O)c2cc(Br)ccc21 1875359947 ULGGDCSEBVRFNJ-UHFFFAOYSA-N 416.250 3.592 0 50 HHAA CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]3[C@@H](C2)C3(C)C)CCN1C(=O)c1cc2cc(O)ccc2[nH]1 2325872413 WPDZJTVBELEFCK-JENRNSKYSA-N 409.530 3.665 0 50 HHAA Cc1ccc(OCCc2nnc(NC(=O)CCN3CCCCCC3=O)s2)cc1C 2356163269 VVVXUULGJUZQRG-UHFFFAOYSA-N 416.547 3.508 0 50 HHAA CC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 835478 RISWYRMZWRSOHF-UHFFFAOYSA-N 408.479 3.967 0 50 HHAA C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 2124357 FRBSRWBRSIOSQL-AWEZNQCLSA-N 407.422 3.502 0 50 HHAA biogenic COc1cc(C(=O)NCCOc2ccccc2C)c(Br)c(OC)c1OC 2839093 WANHIGORGYAFOW-UHFFFAOYSA-N 424.291 3.592 0 50 HHAA CC[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 2995547 XUCVZCBINHQPIJ-MRXNPFEDSA-N 408.951 3.754 0 50 HHAA Cc1c(CCN2C(=O)OC3(CC(C)(C)NC(C)(C)C3)[C@@]2(C)O)c2ccccc2n1C 4183542 UIQJQWOFGWDCAR-HSZRJFAPSA-N 413.562 3.869 0 50 HHAA COc1ccccc1N1C2=[N+](CCCCC2)C[C@]1(O)c1ccc(OC(F)F)cc1 4528521 GQNSAXVQPKHBSN-QFIPXVFZSA-N 403.449 3.947 0 50 HHAA COc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2cccs2)cc1OC 4832591 IRGSIVROBFWWBL-UHFFFAOYSA-N 400.456 3.635 0 50 HHAA O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1)c1cccc2nccnc12 12031055 DBHOPMWKTJGMGY-DEOSSOPVSA-N 424.504 3.996 0 50 HHAA O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1Cc1nc2ccccc2s1 12165036 JEXUFWWUXGHJOD-KRWDZBQOSA-N 413.518 3.985 0 50 HHAA Cc1c(C(=O)NCCc2ccccc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 12451264 PCKFQRVTDMBYPL-UHFFFAOYSA-N 409.493 3.709 0 50 HHAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)c3cn(Cc4ccccc4C)nn3)c2)n1 12457534 UNKOJYYMJUFPOW-UHFFFAOYSA-N 414.513 3.710 0 50 HHAA O=C(C1CCN(C2CCN(Cc3ccccc3OC(F)F)CC2)CC1)N1CCCC1 12591101 IKTJHOIKIDPQRU-UHFFFAOYSA-N 421.532 3.587 0 50 HHAA CSc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1 65363822 JTXACMOWCWPSBR-QGZVFWFLSA-N 420.542 3.767 0 50 HHAA CC(C)C(NC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)C(C)C 82087669 GSZSPWNXSPQXTP-NRFANRHFSA-N 400.611 3.555 0 50 HHAA O=S(=O)(c1ccccc1)[C@@H]1[C@H](S(=O)(=O)c2ccccc2)[C@H]2C=C[C@@]13CCC[C@@H]23 216549825 NCEPVJVJJQQOIF-VNXMGFANSA-N 414.548 3.658 0 50 HHAA O=C(Nc1ccc2cc[nH]c2c1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 253388007 JBMQXPKWPIPWFB-SAABIXHNSA-N 411.527 3.891 0 50 HHAA CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl 253416645 XQKWLHKGNHNKJZ-VKJFTORMSA-N 401.309 3.622 0 50 HHAA FC(F)(F)c1nnc(N2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)s1 825720648 RZPNZEIOABKZMW-LBPRGKRZSA-N 404.483 3.792 0 50 HHAA CC(C)C(=O)Nc1cccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)c1 1187317457 JZQTVDLQPRCBDO-UHFFFAOYSA-N 405.542 3.944 0 50 HHAA O=C(OCc1ccccc1)N1CCN(c2ncnc3[nH]c4cc(F)ccc4c23)CC1 1775994919 RXAJMMGADHNSFZ-UHFFFAOYSA-N 405.433 3.709 0 50 HHAA O=C(CCc1cnccn1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857699908 DACDGFXBCRTPIA-HSZRJFAPSA-N 422.573 3.508 0 50 HHAA COc1cccc2c(C)cc(N3CCN4C(=O)OC[C@]4(Cc4ccccc4)C3)nc12 1875243740 UZYSKVNWGGHLPF-DEOSSOPVSA-N 403.482 3.806 0 50 HHAA CN1C(=O)C(C)(C)c2cc(-c3nc(Cn4cccn4)nn3CC3(C)CCC3)ccc21 2325872500 ANVVIBCGLGIFIU-UHFFFAOYSA-N 404.518 3.634 0 50 HHAA CC(C)CCN1C(=O)[C@@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)c2ccccc21 2356163667 MTFURBBTIRMAPV-XMMPIXPASA-N 402.498 3.740 0 50 HHAA CCOC(=O)c1c(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)sc(C)c1C 639811 QRLPSNLBUMVXBL-MRXNPFEDSA-N 415.515 3.920 0 50 HHAA CCOc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1O 1063199 INGZALNDAUQEQL-RQZCQDPDSA-N 400.887 3.831 0 50 HHAA C[C@@H](NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)[C@@H]1CCCO1 2781344 HSCFNPKSROKSGV-MFKMUULPSA-N 410.421 3.774 0 50 HHAA CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C 3989259 XPLJEFSRINKZLC-ATVHPVEESA-N 414.937 3.849 0 50 HHAA in-vivo COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H]1CC12CCC2 11718212 HNWTXLHBXNUEPS-OAQYLSRUSA-N 400.563 3.572 0 50 HHAA COc1cccc(C[C@@]2(CCC(=O)NCc3c(F)ccc(C)c3F)CCC(=O)N2)c1 11965415 PPJMYBDEBZGGMG-HSZRJFAPSA-N 416.468 3.570 0 50 HHAA Cc1cccc(NC(=O)CCC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 12090543 KXMZSPPVIBPQCN-UHFFFAOYSA-N 400.544 3.956 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)cc1F 12582044 HWDHSUSQWKHDLR-INIZCTEOSA-N 409.413 3.676 0 50 HHAA Cc1ccccc1[C@@]1(CC(=O)N2CCC[C@@H](C)C2)CC(=O)N(Cc2ccccc2)C1=O 14879734 RLRJHFIUUBAGRD-NIYFSFCBSA-N 418.537 3.841 0 50 HHAA COc1cc(C[C@@]2(CCC(=O)NCc3cccc(Cl)c3)CCC(=O)N2)ccc1F 14979442 QXRPYGDPXWZHGY-JOCHJYFZSA-N 418.896 3.776 0 50 HHAA Cc1nn(C)cc1[C@H](C)NC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 39461407 QPZQNCUZKRYCRZ-SFHVURJKSA-N 402.542 3.575 0 50 HHAA Cc1ccccc1N1CCN([C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)CC1 97468994 AFJONKXKVPKHIE-QHCPKHFHSA-N 415.585 3.967 0 50 HHAA O=C1O[C@H](C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)Cc2ccccc21 170627133 GMGIKYIPAUTJNE-LGGPFLRQSA-N 405.475 3.715 0 50 HHAA COc1ccc(CN(CC2CCC2)c2ccc3nnc(C(F)(F)F)n3n2)c(OC)c1 225751377 OOVDOAMMRDXUAS-UHFFFAOYSA-N 421.423 3.967 0 50 HHAA C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229513076 GXWIXIRANLPCDP-VBKZILBWSA-N 402.878 3.512 0 50 HHAA COCC1(CNC(=O)[C@@H](C)c2ccc(OC)cc2)CCN(C(=O)OC(C)(C)C)CC1 253416360 JAHMKFFJBIBDHE-KRWDZBQOSA-N 420.550 3.579 0 50 HHAA CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C(=O)NC[C@H]3CCCO3)C(C)C)o2)cc1 253419937 NYYSLAKYSVKKSV-NQIIRXRSSA-N 413.470 3.626 0 50 HHAA CC(C)(C)c1nnc(N2CCN(Cc3ccc(Br)s3)CC2)s1 301676871 HUCSJLYFKYJHRA-UHFFFAOYSA-N 401.399 3.982 0 50 HHAA Cc1cnc2c(cnn2CC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)c1 1294009200 HSOAKQPWCQIDGG-UHFFFAOYSA-N 402.420 3.997 0 50 HHAA O=C(c1ccc(N2CCCCC2)cc1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529172804 OZONSEXLZJFVBI-BWKNWUBXSA-N 415.537 3.901 0 50 HHAA O=C(c1cccc(O)c1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356143971 DWZRCTULJKJABZ-FUKQBSRTSA-N 422.500 3.616 0 50 HHAA CCCC(=O)Nc1nnc(S[C@@H](CC)C(=O)Nc2ccc(C(C)=O)cc2)s1 2846583 RQWRFIKRJGZNDV-AWEZNQCLSA-N 406.533 3.989 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1 2877810 YCISCWYRKGMFNM-UHFFFAOYSA-N 420.840 3.759 0 50 HHAA CCOC(=O)c1c(C(=O)OC(C)C)c(C(=O)OC(C)C)c2c3ccccc3cnn12 4542351 OKLKVYHVSOSXOK-UHFFFAOYSA-N 412.442 3.795 0 50 HHAA Sc1nnc(CCCCc2nnc(S)n2-c2ccccc2)n1-c1ccccc1 5572332 KSKAHFJOPMNNQN-UHFFFAOYSA-N 408.556 3.991 0 50 HHAA O=C(Nc1cccc(Cl)c1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11766447 MCQSTICESVAYAD-UHFFFAOYSA-N 424.814 3.652 0 50 HHAA CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CNC[C@@H]1CCCO1 11910435 BSUKXFZRZCQEKA-HNNXBMFYSA-N 414.893 3.519 0 50 HHAA CSc1ccccc1N1C(=O)CN(C(=O)c2cc(-c3ccsc3)n[nH]2)C[C@@H]1C 11911561 PNGAICJWYGLYDI-ZDUSSCGKSA-N 412.540 3.738 0 50 HHAA Cc1ccc(F)cc1CNC(=O)c1sc2ncnc(NC[C@@H]3CCCO3)c2c1C 12047490 YZKNPBJEAXNCJU-INIZCTEOSA-N 414.506 3.968 0 50 HHAA COc1ccc2c(C)nc(N3CCC(N[C@@H](C)CCCC(C)(C)O)CC3)nc2c1 12154726 OELDTOUSOXGUST-INIZCTEOSA-N 400.567 3.835 0 50 HHAA COc1cc(C(=O)NCCOC(C)C)ccc1OC1CCN(C2CCCC2)CC1 12203413 WPCWBBRYBFYWTA-UHFFFAOYSA-N 404.551 3.636 0 50 HHAA O[C@H](COc1cccc(CNC(C2CC2)C2CC2)c1)CN1CCc2ccccc2C1 12702264 BILKMLFBRLYXNU-DEOSSOPVSA-N 406.570 3.763 0 50 HHAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Nc3ccc(C)cc3)C2)CC1 64053455 CVSYFVDJHUZTBI-OAQYLSRUSA-N 408.546 3.822 0 50 HHAA CCOc1ccccc1N1CCN(Cc2cc(Br)c(O)c(OC)c2)CC1 67519072 VQVRHWNHAUFSEP-UHFFFAOYSA-N 421.335 3.884 0 50 HHAA Cc1occc1C(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 95531826 AZLUDENEZUNBQR-IBGZPJMESA-N 401.526 3.643 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc(OC)c(F)c4)C3)[nH]n2)cc1 169753652 NTTAUKJRGDOTEN-KRWDZBQOSA-N 424.476 3.632 0 50 HHAA CNC(=O)c1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(Cl)cc4)cn23)cc1 220148922 TYMFFISSODJRDV-UHFFFAOYSA-N 419.872 3.686 0 50 HHAA in-vitro CCOC(=O)c1nc(C2CCN(C(=O)c3cc(Cl)ccc3SCC)CC2)n[nH]1 225531027 REEKZFABHFSFIW-UHFFFAOYSA-N 422.938 3.767 0 50 HHAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl 247702463 APZQJYMEOLWFTA-AMFBXLIHSA-N 404.725 3.704 0 50 HHAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)n[nH]1 252527916 DQTLZCBHILTOLD-GOSISDBHSA-N 405.506 3.821 0 50 HHAA COc1cccc(-c2cc3c(=O)n(C[C@H](O)c4cc(C)c(C)cc4C)ccn3n2)c1 263617785 PPGQFJJRCCQNAY-QHCPKHFHSA-N 403.482 3.830 0 50 HHAA CN1CCN(C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)[C@@H](c2ccccc2)C1 435940956 ZQYPITRUFHHQES-HSZRJFAPSA-N 400.478 3.752 0 50 HHAA O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc(Oc2ccccc2)nc1 498550907 YCKBMBMZAGYYKN-OAQYLSRUSA-N 413.437 3.707 0 50 HHAA COc1cccc2c1OC[C@@H](C(=O)N[C@@H]1[C@H]3CC[C@@H]1CN(CC1CCCCC1)C3)C2 1857689722 WEURHDZSWYORHJ-OQLXKQOESA-N 412.574 3.653 0 50 HHAA CC[C@@H](C)NC(=O)c1ccc(NC(=O)N=c2ccn(Cc3ccccc3C)[nH]2)cc1 1875329314 QBHTVIYYTSWUEG-QGZVFWFLSA-N 405.502 3.834 0 50 HHAA Cc1cc(-c2nc(-c3cnn(CCO)c3)nn2[C@@H](C)C2CCOCC2)ccc1Cl 1875349349 UMMNLKGYPWLTIU-HNNXBMFYSA-N 415.925 3.750 0 50 HHAA O=C(Nc1nccc2cccnc12)c1ccccc1S(=O)(=O)Cc1ccccc1 1940195263 RIZWYKNFEPIXRY-UHFFFAOYSA-N 403.463 3.856 0 50 HHAA COC(=O)c1cc(Br)c2ncc(CNC[C@@H](C)c3cccs3)n2c1 2325850298 UGVSQHWHEWJOLP-LLVKDONJSA-N 408.321 3.838 0 50 HHAA O=S(=O)(c1ccc(Br)cc1)N1CCN(c2ccccc2Cl)CC1 848881 PMNOPKGGKJGWMF-UHFFFAOYSA-N 415.740 3.613 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(Cl)c(C(F)(F)F)c1 877034 GVJZQSYTQZGVCG-UHFFFAOYSA-N 424.803 3.903 0 50 HHAA COC(=O)c1ccc(N2C[C@@H](C(=O)OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1 993394 CGYZEOLOKVRUAH-AWEZNQCLSA-N 422.264 3.876 0 50 HHAA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)c1 996215 XHHFJNXTBKICKC-UHFFFAOYSA-N 418.478 3.991 0 50 HHAA Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 1145276 SGTFNQPOITYIHE-UHFFFAOYSA-N 402.516 3.624 0 50 HHAA Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 1153290 UOSHCSGYPPXMJU-DAYGRLMNSA-N 412.795 3.752 0 50 HHAA Cn1cc(I)c(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)n1 2803229 BWPSXAVITQYPCV-UHFFFAOYSA-N 420.132 3.761 0 50 HHAA CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(C2CCCCC2)C(C)=C1C(=O)OCC 3017559 KQBAIGIBHFNWIB-IBGZPJMESA-N 418.456 3.606 0 50 HHAA Cc1ccc(C)c(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2)c1 4702173 GBSDKJVWPBCNLI-UHFFFAOYSA-N 400.544 3.901 0 50 HHAA CCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(C(C)C)cc2)CC1 4983026 QDTQHGDBBKFDFU-UHFFFAOYSA-N 409.530 3.886 0 50 HHAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2cccnc2)CC1 11821382 MWKUXZHHUBMMFE-UHFFFAOYSA-N 405.502 3.523 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1 11936476 KIDWAHSOZDQFTR-SFHVURJKSA-N 419.481 3.909 0 50 HHAA CCC(=O)N1CCC[C@H](c2nc(SCC(=O)OC)ncc2-c2ccc(F)cc2)C1 12037816 RSDCHFFEQGXISB-HNNXBMFYSA-N 417.506 3.664 0 50 HHAA Cc1ncc2c(c1CNC(=O)CSc1ccccc1)CCN(C(=O)/C=C/C(C)C)C2 12247330 MMCAHIVQGVEOOB-MDZDMXLPSA-N 423.582 3.895 0 50 HHAA COC(=O)c1cc(C)sc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 13324970 BKLZWZPTGSGHBP-UHFFFAOYSA-N 413.952 3.908 0 50 HHAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccccc1)CC2 14542653 NUSWZONCPJKUKB-UHFFFAOYSA-N 421.541 3.522 0 50 HHAA COc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccc3nc(C)c(C)nc3c2)C1 14978496 NEPHDCWTMACAQC-SFHVURJKSA-N 403.482 3.990 0 50 HHAA CC(=O)N1CCCN(c2nc(CN(C)[C@@H](C)c3cccs3)nc3ccccc23)CC1 14987570 SYHJJSZMGAIFOV-KRWDZBQOSA-N 423.586 3.943 0 50 HHAA COc1ccc([C@@H]2c3c(nn(-c4ccccc4)c3C)C[C@](C)(O)[C@@H]2C(C)=O)cc1OC 22146668 CQJYUMMMUFETNO-SDHSZQHLSA-N 420.509 3.842 0 50 HHAA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)c(F)c2)CN1Cc1cccc2ccccc12 23362661 OJYMJZDWISSCLE-RDPSFJRHSA-N 423.507 3.987 0 50 HHAA CCc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 33326840 NYMWIKFFAPYPCO-UHFFFAOYSA-N 408.550 3.692 0 50 HHAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)(C)C)cc3)n2)c(F)c1 49550751 KVWOJNZLABWKMV-UHFFFAOYSA-N 409.461 3.994 0 50 HHAA C[C@H](C(=O)NC1CC1)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 71315474 UDRVTBMFOKWULD-QGZVFWFLSA-N 401.510 3.880 0 50 HHAA CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(Cl)nc2OC2CCC2)C1 170595807 ZQGRWFCHHDVVGA-CYBMUJFWSA-N 409.914 3.748 0 50 HHAA COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CNc2ccc(O)nn2)c1 225569092 MZLLCTRJZOTFDZ-UHFFFAOYSA-N 403.442 3.664 0 50 HHAA O=C1C[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)C2(CCCC2)O1 952965572 RXUUBFMTCFPXIU-HXUWFJFHSA-N 407.514 3.582 0 50 HHAA O=C(Nc1cccc(NC(=O)C2CCN(Cc3ccco3)CC2)c1)c1cccnc1 952976730 MFMPJJFCUBCPBS-UHFFFAOYSA-N 404.470 3.778 0 50 HHAA COc1cc(CN(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)ccc1OCc1ccccc1 1529120864 QAFAUOUBJIOWNQ-BHIFYINESA-N 408.542 3.963 0 50 HHAA CCCN1CCC[C@@H](c2nc(Cc3ccc(OC)cc3)nn2CCOCC)CC1 1772806908 GZTXBSHUMOGNMU-HXUWFJFHSA-N 400.567 3.894 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)CC1 2325889139 AWPRZCDJDFOGRA-QGZVFWFLSA-N 423.376 3.567 0 50 HHAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 829753 ZWCBZDNJUAWFHZ-UHFFFAOYSA-N 402.422 3.799 0 50 HHAA CC(=O)[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(=O)N(C)C 1083204 BASVVPNJDQEIKA-QGZVFWFLSA-N 414.918 3.726 0 50 HHAA CCc1c(C)nc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)[nH]c1=O 5021635 QSIYTNYMBWYHAA-UHFFFAOYSA-N 416.528 3.504 0 50 HHAA in-vitro Cc1nn([C@H](C)C(=O)NCCC2=CCCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12 6944146 GDMIAXMWLLOYIV-GOSISDBHSA-N 419.529 3.767 0 50 HHAA Cc1ncccc1C(=O)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 12297342 WCHOQJXGFAIAGS-KRWDZBQOSA-N 411.933 3.744 0 50 HHAA COc1ccc(-c2ccc(C(=O)N3C[C@@H]4C[C@H]3C(=O)N4c3ccc(F)c(F)c3)o2)cc1 14888859 HAUPFFQUGYIGQM-KXBFYZLASA-N 424.403 3.863 0 50 HHAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2cc3ncccn3n2)C1 15064414 XGPBHENZNLOVAH-XMMPIXPASA-N 420.513 3.538 0 50 HHAA Brc1ccc(OCc2nn3c(CN4CCCCC4)nnc3s2)cc1 39389233 HFFAMWUGBDUSAB-UHFFFAOYSA-N 408.325 3.513 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN([C@@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 39509984 AAEKLLNHPOWZGU-VQTJNVASSA-N 419.997 3.802 0 50 HHAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)c2ccc(Br)cc2)n1 40268638 VHHMGMZCDVAWNN-UHFFFAOYSA-N 417.234 3.703 0 50 HHAA COC(=O)[C@H]1CCCCN1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 55099696 MSLVCMAGSCJNAA-HXUWFJFHSA-N 419.481 3.796 0 50 HHAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 67622549 VZJSONOBLIJRNF-UHFFFAOYSA-N 415.541 3.891 0 50 HHAA COC(C)(C)C[C@H](C)NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 225808701 GPQZUPCVCHAOPC-INIZCTEOSA-N 417.575 3.509 0 50 HHAA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1 237543950 DAMHNIXJQVMKJI-CYBMUJFWSA-N 422.403 3.727 0 50 HHAA COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)ccc1OCC(=O)O 238924055 QPWLFORJVUFMQF-GIBOOTPGSA-N 419.524 3.561 0 50 HHAA C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](c1ccccc1)c1nnc[nH]1 253419145 JZFSZIXWHHXPHF-ACJLOTCBSA-N 403.408 3.920 0 50 HHAA COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4c(C)cc(C)cc4C)ccn3n2)c1 263618344 SMZLIAJGDLYJJD-JOCHJYFZSA-N 403.482 3.830 0 50 HHAA CC(C)c1cc(NC(=O)N2CCO[C@H](CCc3ccccc3)C2)n(-c2ncccn2)n1 474826005 QVVZFFTVOFTLBA-LJQANCHMSA-N 420.517 3.651 0 50 HHAA O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1csc(-c2ncccn2)n1 670452170 QERCOJAPYMSOFF-IBGZPJMESA-N 407.543 3.947 0 50 HHAA O=C([C@@H]1C[C@@H]2CCCCN2C1)N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952891586 AKSWNNKTHOIQCR-CTNGQTDRSA-N 408.521 3.863 0 50 HHAA CO[C@@H](C)c1nnc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)s1 1529191735 DVLWNAGMLSWRMG-JTQLQIEISA-N 407.883 3.910 0 50 HHAA O=C(Cc1c(-c2ccccc2)oc2cc3c(cc12)OCO3)N[C@H]1CN2CCC1CC2 2049252035 AVQKDIDGLRFPIE-IBGZPJMESA-N 404.466 3.581 0 50 HHAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(COc2ccccc2F)c1 625068 GGWHLJILBKXVOY-FQEVSTJZSA-N 414.433 3.604 0 50 HHAA COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 1156480 IMSVGQGYTNPAKL-UHFFFAOYSA-N 402.878 3.848 0 50 HHAA Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)c1 1174215 LDYRPPNWPPSMMR-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2cccc3ccccc23)NC(=O)N1 1190479 HEQLEUFDWUEEBK-QFIPXVFZSA-N 416.433 3.940 0 50 HHAA CCOC(=O)[C@@H](O[C@H](C(=O)OCC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 2141124 RBCNFZPNADGEDT-PHDIDXHHSA-N 424.919 3.607 0 50 HHAA Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1nnc2c3ccccc3c(C)nn12 2493333 CDIHYRLVVUFMTR-UHFFFAOYSA-N 409.515 3.638 0 50 HHAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2cccc3c2OCO3)C1 12713438 FFEVATIZFAXHBO-DEOSSOPVSA-N 411.498 3.812 0 50 HHAA COc1ccccc1/C=C/CN1CCC[C@@H](CNC(=O)COc2ccccc2OC)C1 15067760 VYSGSLXHQPPJMC-ZBWUASRJSA-N 424.541 3.624 0 50 HHAA O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 17094013 NWDRGFDDZIYMNZ-CVEARBPZSA-N 424.522 3.772 0 50 HHAA OCC[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CCN1CCc1ccccc1 22932729 HWASPSPGVHLQBT-JOCHJYFZSA-N 407.583 3.921 0 50 HHAA Cc1nnc(CN(C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)o1 23339495 DVAUIMVDGUWRTN-UHFFFAOYSA-N 417.469 3.651 0 50 HHAA CN(Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@H]1COc2ccccc2O1 55255012 OTXNYMAEFXHVEH-INIZCTEOSA-N 419.403 3.951 0 50 HHAA CCOc1ccc(-c2ccnc(NCc3cn4cc(C)ccc4n3)n2)cc1C(=O)O 77288109 WLULPWRXPKKYHN-UHFFFAOYSA-N 403.442 3.809 0 50 HHAA O=S(=O)(c1ccccc1)[C@@H]1[C@H](S(=O)(=O)c2ccccc2)[C@H]2C=C[C@@]13CCC[C@H]23 101092537 NCEPVJVJJQQOIF-ZSYZGHEHSA-N 414.548 3.658 0 50 HHAA CCCc1noc(-c2cccn3c(CNC(=O)c4ccc(C(C)(C)C)cc4)nnc23)n1 169776053 YQUYUBSSJCXQRE-UHFFFAOYSA-N 418.501 3.959 0 50 HHAA C[C@@H]1Cc2cc(S(=O)(=O)NCc3nc(-c4cccs4)c[nH]3)cc(Cl)c2O1 170619731 JOPIXHCNGADJNU-SNVBAGLBSA-N 409.920 3.594 0 50 HHAA O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)N1CCC[C@]2(CC=CCC2)C1 170626811 SQJXWXVIBNNCKN-HSZRJFAPSA-N 408.477 3.508 0 50 HHAA Cc1ccnc(-c2ccc(NC(=O)N3CCNC(=O)C[C@H]3c3ccccc3)cc2)n1 170628788 WNKFNMSKMSGMTA-FQEVSTJZSA-N 401.470 3.547 0 50 HHAA COc1ccc(-c2nc(C)c(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)s2)cc1OC 238900791 JZSVMJSUWSRULU-HDJSIYSDSA-N 418.515 3.757 0 50 HHAA O=C(CN1CCC(C(F)(F)F)CC1)NCc1ncc(C(F)(F)F)cc1Cl 261495024 OOYSHARWNOBPIJ-UHFFFAOYSA-N 403.754 3.644 0 50 HHAA Cc1cccc(-c2cnc(NC(=O)[C@@H](C)NC(=O)c3n[nH]c4ccccc34)s2)c1 1449136148 ICITXUQMMMALDQ-CYBMUJFWSA-N 405.483 3.752 0 50 HHAA CC(C)Cc1ccc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)cc1 1857708687 HKOQOKFZXHJKRM-RQTOMXEWSA-N 404.510 3.800 0 50 HHAA COC(=O)/C=C/CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C 1875314419 WWDHHKVTPBLEPQ-ZWQQMPCFSA-N 400.519 3.592 0 50 HHAA COC(=O)[C@](C)(CC1=CCCCC1)NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325819950 VWHOSFUWJYMHTI-YQOVMPOYSA-N 412.530 3.535 0 50 HHAA CCOc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)cc1C 1108867 SOZRRHJIRUUDLN-UHFFFAOYSA-N 408.951 3.866 0 50 HHAA COc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CCCCC2)cc1OC 1154363 ICRYNLLXHOOOHQ-SAPNQHFASA-N 400.500 3.549 0 50 HHAA CCCCOc1ccc(/C=c2/sc3nc(-c4ccc(OCC)cc4)nn3c2=O)cc1 2533446 VBHWAUJMQLUGJP-HMMYKYKNSA-N 421.522 3.943 0 50 HHAA COc1cc(NC(=O)c2ccc3c(c2)OCO3)c(OC)cc1NC(=O)c1ccccc1 2735171 BBLDHBXKWCNFKD-UHFFFAOYSA-N 420.421 3.937 0 50 HHAA CCCCCCc1nnc(SCC(=O)Nc2sccc2C(=O)OC)n1CC 6397225 NFWDVGYZBHBUCL-UHFFFAOYSA-N 410.565 4.000 0 50 HHAA CCOc1ccccc1CN1CCC(Oc2cccc(C(=O)NCCOC)c2)CC1 12002083 ODSMDYWSXKVTIN-UHFFFAOYSA-N 412.530 3.505 0 50 HHAA CO[C@H](C(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1)c1ccccc1 12468114 IFMFUIIPZTUARY-QHCPKHFHSA-N 412.505 3.848 0 50 HHAA O=C1C[C@H](C(=O)NC[C@@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)c2ccccc21 14984698 WDCBFRIUJLFSAA-LPHOPBHVSA-N 402.425 3.678 0 50 HHAA CC(C)n1cc(C(=O)NC2CCCCCC2)c(=O)c(C(=O)N[C@H](C)c2ccco2)c1 15003230 AKPJWSYCUGVWTK-MRXNPFEDSA-N 413.518 3.966 0 50 HHAA CN(Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)C2CCOCC2)CC1 15069518 SDTNEPCCBGXYDO-VWLOTQADSA-N 421.585 3.790 0 50 HHAA C[C@H]1CCc2c(sc(NC(=O)CCCC(=O)O)c2C(=O)NCc2ccco2)C1 17082873 RCOVNFQMPDJWBQ-LBPRGKRZSA-N 404.488 3.589 0 50 HHAA COc1ccc(CN2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)cc1O 23358937 XPGPAKLIAHRHIX-HXUWFJFHSA-N 414.546 3.557 0 50 HHAA Cc1ccc(CN2CCN(Cc3nc(-c4cccs4)oc3C)C[C@@H]2CCO)o1 23360759 FKHUTDAGDSTDAC-KRWDZBQOSA-N 401.532 3.682 0 50 HHAA Cc1nc2nc3ccn(Cc4ccccn4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398357 ZJQMTBSCPMPTNW-UHFFFAOYSA-N 402.845 3.511 0 50 HHAA CC(C)S(=O)(=O)c1ncc(CN2C[C@H]3CCC[C@@H]2C3)n1CCc1ccccc1 60159436 RQGJGZXXWFZBMO-VQTJNVASSA-N 401.576 3.682 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(C)c(C)c4)ccn3n2)cc1 263617555 OJJDEAQKKAFJCU-HSZRJFAPSA-N 403.482 3.912 0 50 HHAA CCS(=O)(=O)Nc1cccc(N2CCC(N[C@@H](C)Cc3cccs3)CC2)c1 299782173 FUDPKVAXFFAPGQ-INIZCTEOSA-N 407.605 3.699 0 50 HHAA O=C(Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C(=O)N1CC[C@H](c2cccc(F)c2)C1 756107390 TYWZZKCPFGPMFE-ZJBJCVSYSA-N 407.489 3.769 0 50 HHAA Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)N1CCC[C@H]1c1ccc(CN(C)C)cc1 952973079 XIQGMZVAHFAUEJ-IBGZPJMESA-N 414.531 3.566 0 50 HHAA COc1ccccc1[C@@H](CNC(=O)c1cn2cc(C)ccc2n1)NC(=O)OC(C)(C)C 1350923695 LNLVIDTZJQPNPH-QGZVFWFLSA-N 424.501 3.647 0 50 HHAA O[C@@H]1CN(Cc2cc(CN3CCCC3)cs2)C[C@H]1Cc1ccc2ccccc2n1 1529099677 DRKLAXWXIWTPHY-HYBUGGRVSA-N 407.583 3.928 0 50 HHAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc4cccc(Cl)c4n3C)C1)CC2 1704297035 DGTNOXNJZRILEQ-HSZRJFAPSA-N 423.948 3.808 0 50 HHAA Cc1cc(C[C@@H]2CN(Cc3csc(C45CC6CC(CC(C6)C4)C5)n3)C[C@H]2O)on1 1704341714 ZSCOAWCQMKZFNQ-VNALWHTESA-N 413.587 3.943 0 50 HHAA Cn1cncc1C(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857706113 AKOGUSVSLMOUMM-NRFANRHFSA-N 410.562 3.522 0 50 HHAA Cc1cccc(Cc2noc(-c3cccc(S(=O)(=O)NC(C)(C)C)c3)n2)c1F 2325850128 MWELVVPKVHKIQZ-UHFFFAOYSA-N 403.479 3.852 0 50 HHAA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Br)c2)NC(=O)N1 752198 MYNMNSGETXGELN-QGZVFWFLSA-N 401.260 3.820 0 50 HHAA COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 780517 FUKYFYXRZOCLTH-UHFFFAOYSA-N 402.878 3.848 0 50 HHAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)c(Cl)cc1O 1109647 FRMHZXKGSDMGGH-LJQANCHMSA-N 415.877 3.938 0 50 HHAA CCN(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1ccc2ccccc2c1 2884505 MCWJOAZRFSLWJI-UHFFFAOYSA-N 410.495 3.692 0 50 HHAA CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)O 4521240 ATUMDPHEFWGCJF-OAHLLOKOSA-N 414.886 3.714 0 50 HHAA in-vitro O=C(c1ccc(COc2ccccc2Cl)o1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 8455531 CHWPJTMCMGLFAG-QGZVFWFLSA-N 420.746 3.933 0 50 HHAA Cn1cc(CN2CCC3(CC2)C[C@H]3C(=O)NCC2(c3ccccc3)CCCC2)cn1 11881638 TWNLWEGXBIHYRJ-QFIPXVFZSA-N 406.574 3.650 0 50 HHAA CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 12411538 RAKLCYFSECOGHU-UHFFFAOYSA-N 411.889 3.776 0 50 HHAA biogenic,in-vitro Cc1cccc(-c2noc(CNC(=O)c3cccc(I)c3)n2)c1 13957857 VPFWYAKQGNQRCZ-UHFFFAOYSA-N 419.222 3.580 0 50 HHAA COc1ccc(C[C@@]2(CCC(=O)N[C@@H](C)c3ccc(F)cc3)CCC(=O)N2)c(F)c1 14879115 PLQAXCKIBGLURE-NPMXOYFQSA-N 416.468 3.822 0 50 HHAA Cc1ccc(F)c(NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3c2c(C)nn3C)c1 20606313 RUYHIIRFFUWZGM-UHFFFAOYSA-N 406.465 3.994 0 50 HHAA O[C@H]1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C[C@@H]1O 72456726 PWFOGNNAXYIVQQ-GOTSBHOMSA-N 408.929 3.971 0 50 HHAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NS(=O)(=O)N1CCCCC1 91830318 HJIIHBZZCWBPJF-GOSISDBHSA-N 402.564 3.515 0 50 HHAA Cc1ccc(C)c(OCCCCC(=O)N2CCN(c3cc(C4(C)CC4)n[nH]3)CC2)c1 225399105 GZWKRPURWZCMLS-UHFFFAOYSA-N 410.562 3.976 0 50 HHAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)COc2ccccc2Cc2ccccc2)c1 328589387 BMAUOFPPFHCYTB-VWNXMTODSA-N 417.505 3.999 0 50 HHAA COc1cc(OC)cc(-c2cccc(NC(=O)[C@H]3CCN(CC(F)(F)F)C3)n2)c1 462834395 AARAKCWCTHBEKD-ZDUSSCGKSA-N 409.408 3.589 0 50 HHAA O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(CN2CCCC2)o1 825554437 VPPHKHNBRPLKQH-UHFFFAOYSA-N 400.866 3.551 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H](c3cccnc3)N3CCCCC3)cc2)n1 952977589 WAJRIAGLDAVSDS-XMMPIXPASA-N 417.557 3.900 0 50 HHAA COc1ccc(-c2c(C)nn(C)c2NC(=O)c2ccc(N3CCOCC3)c(C)c2)cc1 1529098443 GAMYWGZNPKUJJB-UHFFFAOYSA-N 420.513 3.801 0 50 HHAA C[C@H](NC(=O)N[C@H](C(=O)O)[C@@H]1CCCOC1)c1ccc(-c2ccc(F)cc2)cc1 1776004234 IGJSGHPYGLFICS-QMIHWGKISA-N 400.450 3.733 0 50 HHAA Cc1nsnc1C(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857698464 SMXCDXGFRRCILK-LJQANCHMSA-N 414.575 3.559 0 50 HHAA Cc1ncc(C(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)[nH]1 1857699598 VMVDBRSCEXGQDJ-NRFANRHFSA-N 410.562 3.820 0 50 HHAA C[C@H](c1ccccc1)N1C[C@@H](c2nc(-c3ccc(Br)cn3)no2)CC1=O 2325762742 XSHKFZJFMQDUHE-OCCSQVGLSA-N 413.275 3.971 0 50 HHAA N=c1[nH]nc(-c2ccc(-c3ccc(C(=O)N4CCC[C@@H]4c4cccnc4)cc3)o2)[nH]1 2356153822 WMZUJJSHHBCPOM-QGZVFWFLSA-N 400.442 3.517 0 50 HHAA CCn1nc(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cc1C 2356155464 IDZGEJVIZYJVFJ-DEOSSOPVSA-N 401.514 3.789 0 50 HHAA CCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 711204 CWODUYYUWHZKJT-UHFFFAOYSA-N 423.420 3.811 0 50 HHAA CCOc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 1152285 XNVTXYXDMCLIOP-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA Cc1ccc(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)cc1 2374920 PTHFXCLNLUOVBY-LJQANCHMSA-N 408.523 3.930 0 50 HHAA CC(C)CCNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 2879505 OCRNPHYTVSVULE-UHFFFAOYSA-N 401.743 3.575 0 50 HHAA CCOC(=O)c1c(N)nn(C(=O)c2ccc(Br)cc2)c1-c1ccccc1 4722126 BDZBBLIKVXTSFU-UHFFFAOYSA-N 414.259 3.760 0 50 HHAA Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCC4(CCN(Cc5ccncc5)CC4)O3)cc2c1 11783004 UONHVQOMXXTMQT-NRFANRHFSA-N 418.541 3.815 0 50 HHAA CCCC[C@H](CC(=O)OCC)NC(=O)c1cc(COc2cccc(OC)c2)on1 11842336 BBVFVEWLYPDVSP-OAHLLOKOSA-N 404.463 3.504 0 50 HHAA COc1cccc(OC)c1CN1CCC2(CC[C@H](CNC(=O)c3ccccc3)O2)CC1 11971525 VKNORHZRJOYNDE-HXUWFJFHSA-N 424.541 3.647 0 50 HHAA Cc1csc(-c2cc(C(=O)N(C)[C@H](C)c3nccs3)cc(-n3cnnn3)c2)c1 12331354 HZEBRDGFUKHCSU-CYBMUJFWSA-N 410.528 3.989 0 50 HHAA O=C(NCc1ccccc1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 17094010 NWDRGFDDZIYMNZ-JKSUJKDBSA-N 424.522 3.772 0 50 HHAA CC(C)c1ccc(CN2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 22752365 CAHOEALTGHOKFP-UHFFFAOYSA-N 409.559 3.571 0 50 HHAA O=C(CCCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1)Nc1ccncc1 40283006 BYQKNTNDFODMIQ-UHFFFAOYSA-N 410.449 3.877 0 50 HHAA COc1ccc(CN2CCN(Cc3cc(F)ccc3F)C[C@H]2CCO)c(C)c1C 104408936 MHJUUMKETMQWDX-OAQYLSRUSA-N 404.501 3.659 0 50 HHAA COCCn1c(C(=O)N[C@H](CC(C)C)c2nnc3ccccn23)cc2ccccc21 223219597 UMWKCEXDBGOCKY-GOSISDBHSA-N 405.502 3.848 0 50 HHAA Cc1noc(-c2ccccc2C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1 225573020 OPFNHRQEJDNOGX-DZGCQCFKSA-N 400.479 3.563 0 50 HHAA O=C([C@H]1CC[C@H](O)CC1)N1CCC([C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 244882602 XUVYDNDYBJRWPV-ONTIZHBOSA-N 404.982 3.952 0 50 HHAA CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCc4ccccc4C3)C2=O)cc1 253405283 IEVNMRQIOJAFRG-NRFANRHFSA-N 405.498 3.600 0 50 HHAA biogenic COc1ccc(-c2nn3ccn(Cc4ccc(F)cc4Cl)c(=O)c3c2CO)cc1 263616592 JPGZLFKSCRORHO-UHFFFAOYSA-N 413.836 3.505 0 50 HHAA CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CCS[C@H]2COCC[C@@H]21 430357709 WSPDNQKQWBZKAG-HOTGVXAUSA-N 419.547 3.660 0 50 HHAA Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)n1 432315211 YMMAWDXSWTVZOH-GOSISDBHSA-N 423.444 3.774 0 50 HHAA Cc1cc([C@@H](NC(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)C2CC2)ccc1F 479921474 QCYDDHZJMUBBHF-VFNWGFHPSA-N 408.477 3.683 0 50 HHAA CCn1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)c(=O)c2ccc(C)nc21 952963783 KHKCTGTXNJRWEA-INIZCTEOSA-N 407.470 3.535 0 50 HHAA Cc1cc(CN(C)Cc2cc(-c3ccccn3)no2)c(C)c(CN2CCN(C)CC2)c1 952988345 ICEXQJSPRBBTJL-UHFFFAOYSA-N 419.573 3.733 0 50 HHAA Cn1c(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc2cc(C(F)(F)F)ccc21 1272212959 TWQLJVZPXXMRTJ-MRXNPFEDSA-N 422.451 3.607 0 50 HHAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cccc(C(F)(F)F)c2)cc1OC 1529125944 BXROOSZTBQYIEZ-WOJBJXKFSA-N 411.420 3.657 0 50 HHAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNc2cc(C(=O)N3CCCCC3)ccn2)n1 1704336683 JMGFPEXMGSOSPS-CQSZACIVSA-N 409.456 3.980 0 50 HHAA Cc1nc(NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)cc(-c2ccccc2)c1C 1857739285 NRCOLFYEJUZHET-PKTZIBPZSA-N 401.466 3.560 0 50 HHAA O=C(Cn1ccccc1=O)OCC(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 2325717140 FGSMFDVNJZABSA-UHFFFAOYSA-N 404.397 3.562 0 50 HHAA COc1cc(Cl)c(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2)c1 2325809550 HXLDDYULDANPDA-QGZVFWFLSA-N 417.918 3.789 0 50 HHAA CC(C)(C)C(=O)[C@@H](Oc1ccc(C(=O)O)cc1)C(=O)Nc1cc(N)ccc1Cl 642127 XLTGMNNJLKNJLD-MRXNPFEDSA-N 404.850 3.622 0 50 HHAA CCOc1ccc(C(=O)NCC2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1 758218 PMYPZLBHFAERCJ-UHFFFAOYSA-N 410.514 3.766 0 50 HHAA COCc1cc(C)nc2sc3c(=O)n(-c4ccccc4C(F)(F)F)nnc3c12 1074287 XMSJPIXCXPYGAH-UHFFFAOYSA-N 406.389 3.864 0 50 HHAA CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 2869464 SOBUYIXOMCEUAI-CQSZACIVSA-N 424.478 3.552 0 50 HHAA COC(=O)CCC(=O)c1ccc(Cc2ccc(C(=O)CCC(=O)OC)s2)s1 3191790 NHWHHNCONQTJTG-UHFFFAOYSA-N 408.497 3.672 0 50 HHAA CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21 4134473 QLJODMDSTUBWDW-BXMDZJJMSA-N 422.562 3.716 0 50 HHAA in-vivo CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 5023000 SZVKLLDAHPEQJN-UHFFFAOYSA-N 406.573 3.781 0 50 HHAA O=C1CCCCN1CCC(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1 11771484 MPRONFWEELVMKE-UHFFFAOYSA-N 403.482 3.782 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1ccc2[nH]ccc2c1 11912349 VLIRSOVTOXLEPG-NRFANRHFSA-N 404.514 3.507 0 50 HHAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)c2ccc(C)cc2)C1 12054410 ODQBNNQLEDMAPQ-QFIPXVFZSA-N 423.601 3.920 0 50 HHAA O=C(c1cn(CC2CCCCC2)nn1)N1CCC(O)(c2ccc(Cl)cc2)CC1 12057290 SJQISUAPAHVQRL-UHFFFAOYSA-N 402.926 3.636 0 50 HHAA CC(C)N1CCC(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)CC1 12111802 ZJHUMQXIALRMAY-FQEVSTJZSA-N 403.586 3.659 0 50 HHAA COCCN1CCC(CN(Cc2ccncc2)Cc2cccc3cnccc23)CC1 12318274 QOLUUUSYNMADFB-UHFFFAOYSA-N 404.558 3.990 0 50 HHAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCc1cc(F)cc(F)c1)CC2 14535119 GZCQYSWHRVNZCZ-HXUWFJFHSA-N 424.495 3.559 0 50 HHAA CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)CCc1cccs1)CC2 14537814 VBGYDBHHBNTMNU-UHFFFAOYSA-N 423.538 3.687 0 50 HHAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1 14956059 KCIOEMMEHMVWHY-UHFFFAOYSA-N 409.446 3.606 0 50 HHAA Cc1ccc(OCCSc2nc3ccccc3n2C[C@H](O)CO)c(C(C)C)c1 16156161 KLRHXSMUAIHGPJ-KRWDZBQOSA-N 400.544 3.992 0 50 HHAA COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)NCc3ccco3)c2n1 16425462 KGVROCDUTBOKAI-UHFFFAOYSA-N 416.359 3.947 0 50 HHAA O=C(CCN1CCOCC1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1F 19953187 YMGSNVICALCPPX-DEOSSOPVSA-N 407.489 3.503 0 50 HHAA CCCn1cc(CN2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c(C)n1 20534180 LSIKTOCOSNVFBJ-JOCHJYFZSA-N 414.594 3.758 0 50 HHAA C[C@@H]1Cc2ccccc2N1C(=O)CCn1ccc(C(=O)N2c3ccccc3C[C@H]2C)n1 20617378 SCXPCGIYNCFLCJ-QZTJIDSGSA-N 414.509 3.842 0 50 HHAA Cc1ccc(CN2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@@H]2CCO)cc1 20781668 XOHCTIZHLXLAPZ-QFIPXVFZSA-N 424.976 3.903 0 50 HHAA Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@H](c1ccc(Cl)cc1)CC(=O)N2 65364857 HUAFSYHCKZJXAU-INIZCTEOSA-N 408.893 3.698 0 50 HHAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)n1 67601764 ZNEXQXKSBYRJEC-UHFFFAOYSA-N 401.514 3.501 0 50 HHAA O=C(NCc1nc(-c2ccccc2)no1)C1CCN(Cc2cccc(Cl)c2)CC1 67603766 FIFOCRWMNCKNGK-UHFFFAOYSA-N 410.905 3.918 0 50 HHAA O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(N3CCOCC3)c2)C1)OCc1ccccc1 170595294 DFJLSAJDNMMBBF-CTNGQTDRSA-N 423.513 3.557 0 50 HHAA COc1ccc(CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c2ccccn2)cc1 170622311 CDRWKTLVPUTNMI-OAQYLSRUSA-N 415.493 3.672 0 50 HHAA C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 170624856 QZHXALIUTXTVST-VBKZILBWSA-N 413.905 3.821 0 50 HHAA CC(=O)c1ccc(N2CCN([C@@H]3CCC(=O)N(Cc4ccccc4F)CC3)CC2)cc1 200585390 WXCYJQPFHOJVGE-HSZRJFAPSA-N 423.532 3.732 0 50 HHAA CCN(CCC(=O)O)C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 237028785 NVJNZKLNJDWLNQ-GOSISDBHSA-N 402.878 3.524 0 50 HHAA COc1cccc([C@H]2CC(c3cccc(Cl)c3)=NN2C(=O)CCC(=O)O)c1OC 253432590 LNLZTUZBDVYEFP-QGZVFWFLSA-N 416.861 3.900 0 50 HHAA O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCC[C@H](c2nc[nH]n2)C1 952969076 AVFSATKIIVIBSV-INIZCTEOSA-N 400.442 3.542 0 50 HHAA CC[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCC(F)(F)CC2)C1 1292320186 WXCIYXMTLJFUQB-HXUWFJFHSA-N 409.525 3.966 0 50 HHAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N(Cc1ccccn1)C[C@H]1CCCO1 1506416872 MYGAQJWIDTVOIJ-HXUWFJFHSA-N 404.470 3.830 0 50 HHAA CCNC(=O)N1CCC[C@@]2(CCCN(Cc3ccc(OC(F)F)cc3)C2=O)[C@H]1C 1875251322 YDFMQKKRRHAMMJ-VFNWGFHPSA-N 409.477 3.611 0 50 HHAA O=C(Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1)c1c[nH]nc1C1CCCCC1 1875262263 TVBKJEPBXJAIAE-INIZCTEOSA-N 410.518 3.554 0 50 HHAA COc1cccc(C(=O)N2CCC[C@]23CCCN(CCc2ccccc2)C3=O)c1C 2356158381 ZQGNNCFUNHIOBU-VWLOTQADSA-N 406.526 3.844 0 50 HHAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 677186 PAXBXXNFQPKICX-UHFFFAOYSA-N 410.923 3.743 0 50 HHAA COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 779574 AQPOTVZZESHRCW-UHFFFAOYSA-N 400.478 3.960 0 50 HHAA CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1cccnc1 2522390 SXFUDXTVCHUGOF-UHFFFAOYSA-N 418.320 3.853 0 50 HHAA C[C@@H](NC(=S)N1CCN(C(=S)N[C@H](C)c2ccccc2)CC1)c1ccccc1 2747754 IFUOOJOVCXFRRE-QZTJIDSGSA-N 412.628 3.875 0 50 HHAA COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(Br)cc1 2820992 QJMVLKBQZBITLY-UHFFFAOYSA-N 420.259 3.603 0 50 HHAA O=C(O)C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1I 4801896 AFOJNOGSISSXTJ-ZDUSSCGKSA-N 409.223 3.563 0 50 HHAA COc1ccc(-c2noc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1OC 6899812 MKZIUGNEIUNOMB-UHFFFAOYSA-N 400.866 3.734 0 50 HHAA COC[C@@H]1CCCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 12204293 RRRHKABADCYNNH-QGZVFWFLSA-N 404.580 3.661 0 50 HHAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc1 13894044 YXGBORLPUGNSBG-OAQYLSRUSA-N 424.453 3.575 0 50 HHAA O=C(O)c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 14009718 BACDMNWGHOEOCU-WOJGMQOQSA-N 406.369 3.877 0 50 HHAA O=C(NC1CCCC1)c1cn([C@@H]2CCCN(C/C(Cl)=C/c3ccccc3)C2)nn1 20351402 DWXILIHFNWOJQA-MTGKDYNDSA-N 413.953 3.867 0 50 HHAA Cc1cc(C)cc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 20599874 LNHTVYXMFKWMCQ-JOCHJYFZSA-N 421.545 3.673 0 50 HHAA COc1cccc([C@H](C)NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)c1 20608138 QUUDLPAVJHGAFF-SGTLLEGYSA-N 403.276 3.828 0 50 HHAA OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CCN1C1CCCCC1 23358106 QWEXDTVSFOLJSD-HXUWFJFHSA-N 402.970 3.727 0 50 HHAA CCOc1cccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)c1 100566940 ZIXQVWPVRUZRKC-KRWDZBQOSA-N 418.902 3.743 0 50 HHAA O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 222497059 XLGKCUXOTWEAMG-YHDSQAASSA-N 416.477 3.741 0 50 HHAA Cc1oc(-c2ccccc2)nc1Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 263618272 SAMBQAZHKMNRMO-UHFFFAOYSA-N 412.449 3.667 0 50 HHAA O=C1CC[C@@](CCC(=O)N2CCC(OCc3ccccc3)CC2)(Cc2ccccc2)N1 299779155 SIYBTPIHGWXYSD-AREMUKBSSA-N 420.553 3.866 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)n[nH]2)cc1C 435939464 VLQTUFMFUBQYEG-GOSISDBHSA-N 400.486 3.756 0 50 HHAA COc1cccc(N2CC[C@H](NC(=O)c3cc4c(C(F)F)nn(C)c4s3)C2)c1 470897818 PMRITAVHFHKXDR-NSHDSACASA-N 406.458 3.590 0 50 HHAA Cc1cc(F)c2nc(O)cc(C(=O)N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)c2c1 485749628 ZAHUKVVRAVETDR-DBDZUICISA-N 400.475 3.959 0 50 HHAA COc1ccc2oc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C(C)C)cc4)C3)nc2c1 952991031 ZEOOORBCFHVSLB-MRXNPFEDSA-N 407.470 3.629 0 50 HHAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)C1 1506410582 MJVHXTZULSQBLA-OAQYLSRUSA-N 407.558 3.678 0 50 HHAA CC(C)(C)[C@H](O)c1cn(CCCCCNC(=O)C(F)(F)/C=C/c2ccccc2)nn1 2325870595 GALJAADDGCZGFK-JXOMPUQVSA-N 420.504 3.993 0 50 HHAA O=C(CCCc1nc(-c2cccnc2)no1)N1CCC2(CC1)OCCc1sccc12 2356165187 XSAZTVPUDQORPG-UHFFFAOYSA-N 424.526 3.606 0 50 HHAA O=C(N/C(=C/c1ccccc1)C(=O)N1CCCCC1)c1ccc(Br)o1 657784 GQZPLRJZYVXWOB-FYWRMAATSA-N 403.276 3.826 0 50 HHAA COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Cl 780479 VSYPMSKQNFZIKZ-UHFFFAOYSA-N 422.934 3.696 0 50 HHAA COc1cccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 835099 OFIZXSCRVZSCBW-UHFFFAOYSA-N 410.495 3.914 0 50 HHAA COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 1069227 AFDSTMZYAQFGKH-UHFFFAOYSA-N 409.467 3.976 0 50 HHAA CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccc(C)cc3)S2)cc1 1308156 ISZZIWDUAIYMNU-KRWDZBQOSA-N 411.483 3.610 0 50 HHAA O=C(NCCCn1ccnc1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 6445948 GIVOPYHHSKYZIU-ZFWWWQNUSA-N 424.452 3.622 0 50 HHAA O=S(=O)(c1cc(F)ccc1F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 6633219 RXKHMXCPEPPNTM-UHFFFAOYSA-N 407.269 3.783 0 50 HHAA O=C(Nc1ccnn1C1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1ccccc1 11872943 MIFVAVZFROXHHL-UHFFFAOYSA-N 418.497 3.744 0 50 HHAA O=C(Nc1cc(C(=O)N2CCOCC2)c2c(c1)ncn2C1CCCC1)c1ccccc1 12184878 FWKBECZXSHQQTK-UHFFFAOYSA-N 418.497 3.876 0 50 HHAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCc2cccc(C)c2)c1 12198714 DBJAIJVHJKSKBQ-UHFFFAOYSA-N 422.525 3.713 0 50 HHAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCC(=O)N(CCN2CCCCC2)CC1 12244294 XQAWXXOXHMWXDQ-SFHVURJKSA-N 411.512 3.657 0 50 HHAA CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(=O)n(C)n2)cc1 13596517 GQCKLEWWPKRFOE-DEOSSOPVSA-N 412.493 3.612 0 50 HHAA CCCn1ncc(CN2CCC(Cc3cccc(OC)c3)(C(=O)OCC)CC2)c1C 15066836 QJPFHTDHBFAYPM-UHFFFAOYSA-N 413.562 3.998 0 50 HHAA Cc1ccc(C(=O)Oc2ccc([C@H](c3c(O)n[nH]c3C)c3c(C)n[nH]c3O)cc2)cc1 19832166 XFPYLTFTYNZKSR-UHFFFAOYSA-N 418.453 3.869 0 50 HHAA c1ccc(N2CCN([C@@H]3CCCN(Cc4cccn4-c4ccccn4)C3)CC2)cc1 20538564 DZDQNOPGIHQEMH-HSZRJFAPSA-N 401.558 3.659 0 50 HHAA Cc1nc2ccc(NC(=O)c3ccc(SCC(=O)O)c([N+](=O)[O-])c3)cc2s1 22204039 JDWOIOFLGMVOHX-UHFFFAOYSA-N 403.441 3.942 0 50 HHAA CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNCc1cccc(C(F)(F)F)c1 55310322 IZFWZXGWNBCTHX-UHFFFAOYSA-N 410.827 3.998 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1Cl 65363966 VWHAQKFDKWVIQO-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA O=C1C[C@H]([C@@H]2CCCC=C2N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 100789891 KOJFHACVEAYTSQ-DLBZAZTESA-N 408.420 3.601 0 50 HHAA COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCCN3CCCC[C@H]23)cc1Cl 225418119 LNQHBBQGMXBOHP-CRAIPNDOSA-N 402.926 3.733 0 50 HHAA biogenic CCSc1ccc(C(=O)NC[C@@H](CO)Cc2ccccc2Br)cn1 225444370 TZGKBWVPZWOWID-ZDUSSCGKSA-N 409.349 3.537 0 50 HHAA O=C(N[C@H](CO)Cc1ccccn1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 225614856 DATRFNYWYBFTTN-ZDUSSCGKSA-N 408.310 3.845 0 50 HHAA CC(C)c1ccc(N2C[C@@H](C(=O)NCc3noc(-c4ccccc4)n3)CC2=O)cc1 827696755 VMLHGBPDXRSWBB-SFHVURJKSA-N 404.470 3.529 0 50 HHAA Cc1ccc(C(=O)N2CCC(C(=O)NC3CCN(c4ccccc4F)CC3)CC2)cc1 827758064 BOYZRXWQBSQOKA-UHFFFAOYSA-N 423.532 3.772 0 50 HHAA Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC([C@@H](C)O)C3)c12 1857529125 CDLAWHKYLDYWRA-LLVKDONJSA-N 405.376 3.670 0 50 HHAA CC(C)(C)c1ccc(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cc1 1857724816 FFVYWLHGOQFIJR-BKSPAHHJSA-N 404.510 3.899 0 50 HHAA CN1CC[C@@H](CN=c2cc[nH]c(-c3ccc(F)cn3)n2)[C@@H]1c1ccc(Cl)c(F)c1 1875334980 NMCKGOXMSZNLNC-XOBRGWDASA-N 415.875 3.997 0 50 HHAA O=C(Nc1ccccc1)Nc1cccc(CNC(=O)[C@@H]2CC(c3ccncc3)=NO2)c1 2325741920 SDSIBJGJQGJPIG-NRFANRHFSA-N 415.453 3.535 0 50 HHAA C[C@H](NC(=O)CCn1ccc(O)nc1=O)c1ccc(-c2ccc(Cl)cc2)s1 2325850094 LSQFCGDQDPHJHW-LBPRGKRZSA-N 403.891 3.598 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3n[nH]c4ccccc34)C2)[C@@H]2CCCC(=O)N12 2356144928 SBZHDYYYPKPKAF-PNQHUFSXSA-N 422.573 3.770 0 50 HHAA Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)s1 1071997 YMXIZRNXOGMLFT-UHFFFAOYSA-N 422.539 3.749 0 50 HHAA O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(I)cc1 1079574 UOFGTOVRQLKKTC-UHFFFAOYSA-N 420.250 3.780 0 50 HHAA CCOc1ccccc1[C@@H]1NC(=O)N(C)C(C)=C1C(=O)OCCOc1ccccc1 2058804 HULQGWAXUAUBTF-NRFANRHFSA-N 410.470 3.678 0 50 HHAA CC1(C)CC(NC(=O)COc2ccc(Cl)cc2Br)CC(C)(C)N1 4442282 ITNKHEHVXCANBU-UHFFFAOYSA-N 403.748 3.907 0 50 HHAA CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)c(OC)c(OC)c1)CC(=O)N2 4488960 AUIDZUXJFPGCOL-AWEZNQCLSA-N 401.459 3.984 0 50 HHAA C[C@]1(O)N(CCC(=O)Nc2ccccc2C(F)(F)F)C(=O)OC12CCCCC2 4786483 ZFNGDGHKCPNKEI-QGZVFWFLSA-N 400.397 3.898 0 50 HHAA Cc1ccc(C[C@@H](CC(=O)O)C(=O)Nc2ccccc2I)cc1 8398040 VPBLKFOYKFKRIT-AWEZNQCLSA-N 423.250 3.872 0 50 HHAA CCOc1ccc(Nc2nc([C@]3(C)C[C@@]4(C[C@H](C)OC4=O)C(=O)O3)cs2)cc1 9360908 WRSQOWMVQOLIQH-OCCQLPPTSA-N 402.472 3.769 0 50 HHAA biogenic COc1ccc(-n2c(CCNC(=O)CCc3ccc(C)cc3)nnc2SC)cc1 11790453 VYJVNWPPEAVWJS-UHFFFAOYSA-N 410.543 3.598 0 50 HHAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCCN2CCCC2=O)cc1 11844296 DUMYOTOCLLTAEB-FQEVSTJZSA-N 408.546 3.713 0 50 HHAA CN(C[C@H](O)COc1ccccc1CNCCOc1ccccc1)C1CCCCC1 12074737 QIIBTCDXMXLILI-QHCPKHFHSA-N 412.574 3.859 0 50 HHAA O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(n3ccsc3nc2=O)N1 12374455 NJTCJPWCMAMFSC-QGZVFWFLSA-N 421.453 3.948 0 50 HHAA CC(C)S(=O)(=O)c1ncc(CN2C[C@@H]3CCC[C@H]2C3)n1Cc1ccccc1F 12433941 OMMRRYPGMVNWMH-AEFFLSMTSA-N 405.539 3.627 0 50 HHAA COc1ccc(CN2CCN(Cc3nc4ccccc4s3)C[C@@H]2CCO)cc1C 20212267 ALZFQWLYNDVKSI-IBGZPJMESA-N 411.571 3.682 0 50 HHAA OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CCN1Cc1cccs1 22913620 MADWWQPWNAMDTR-LJQANCHMSA-N 404.963 3.746 0 50 HHAA NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 37505821 YNCXHXYZTLIZTO-RKVPGOIHSA-N 405.317 3.923 0 50 HHAA in-vitro Cc1cccc(CN2CCN(Cc3cnc(-c4ccccc4)s3)C[C@H]2CCO)n1 104448852 JMENGZJEIACJJD-OAQYLSRUSA-N 408.571 3.582 0 50 HHAA Cc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5C[C@H]3C[C@@H]54)cc2)cc1 239287446 CUTVFQBBMABSOB-ORVUWSRISA-N 419.477 3.781 0 50 HHAA Cc1oc(-c2cccs2)nc1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 915619107 GDPYPLBNSZNHFM-IBGZPJMESA-N 424.570 3.820 0 50 HHAA COc1cc(Cl)ccc1C(=O)NC[C@H]1CCCN(c2ccc(C(C)=O)cn2)C1 952970547 CLJDAHBYLBFBHT-OAHLLOKOSA-N 401.894 3.593 0 50 HHAA COCCc1noc([C@H]2CCCCN2C(=O)c2csc(-c3cccs3)n2)n1 952971896 AEDXIRAQARLWDG-CYBMUJFWSA-N 404.517 3.811 0 50 HHAA CCCCOc1ccc2c(c1)CCOC21CCN(C(=O)CCc2ccnn2C)CC1 1857678382 FGJKRRLEAVUYKZ-UHFFFAOYSA-N 411.546 3.622 0 50 HHAA O=C(CCc1cn[nH]c1)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857688915 JMBDLDVLWMFZRI-HSZRJFAPSA-N 424.589 3.831 0 50 HHAA CCn1cc(CN(C)C(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)cn1 1857706492 VQMTWGNYNNEYHA-HNNXBMFYSA-N 401.898 3.573 0 50 HHAA Cc1cc(-c2cnc(Nc3cccc(C(F)(F)F)c3)nc2)ccc1S(N)(=O)=O 1875353544 XGGISTNGONQSBX-UHFFFAOYSA-N 408.405 3.862 0 50 HHAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)CCCc2c[nH]c3ccccc23)CC[C@H]1O 2356157208 FMQDGTFLDFGJIR-NFBKMPQASA-N 400.519 3.591 0 50 HHAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c1OC 862833 YUKZKHBKJZVGOZ-KRWDZBQOSA-N 401.850 3.624 0 50 HHAA O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NC[C@H]1CCCO1 885350 YKGUPEDKHDJWLB-CYBMUJFWSA-N 423.460 3.648 0 50 HHAA COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccs4)cc3n2)cc1 1180327 VCQRKJPJBXOJDG-UHFFFAOYSA-N 423.523 3.926 0 50 HHAA CCOC(=O)CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2734264 WTKXXCHSUMPKAL-UHFFFAOYSA-N 413.271 3.957 0 50 HHAA Cn1ncc2c1ncn1nc(-c3ccn(COc4ccc(-c5ccccc5)cc4)n3)nc21 2804188 JHLAHNDTSUZKHE-UHFFFAOYSA-N 422.452 3.578 0 50 HHAA Cc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc(C)c1Br 2843351 NQCQUQHBOTXFQC-UHFFFAOYSA-N 421.310 3.933 0 50 HHAA CCOC[C@@H](O)CNCc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl 12298996 SRQMMUGAEAQKBM-SFHVURJKSA-N 415.921 3.688 0 50 HHAA CCN(CC)CC(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@@H]1CCCO1 12373325 HPDBLLPZLCALRO-DEOSSOPVSA-N 415.622 3.556 0 50 HHAA C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)C[C@@H](C)O1 13940709 UEIKITSCDLGXKO-IYBDPMFKSA-N 422.460 3.513 0 50 HHAA C[C@@H](NC(=O)c1ccc(F)cc1)c1nnc(SCCOc2ccc(F)cc2)n1C 14887671 RROPLMXZKLHPJV-CYBMUJFWSA-N 418.469 3.755 0 50 HHAA COc1ccc(C[C@]2(CCC(=O)N[C@@H](c3ccco3)C(F)(F)F)CCC(=O)N2)cc1 14987323 YYIYIEVPHZLKFF-PMACEKPBSA-N 424.419 3.680 0 50 HHAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3)n2)cc1NC(C)=O 16651316 OHGHTRITIIQKDE-UHFFFAOYSA-N 424.888 3.723 0 50 HHAA CCOC(=O)c1cccnc1N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 19226632 FXBJFIICRQHCBL-KRWDZBQOSA-N 413.493 3.710 0 50 HHAA C[C@H](CN1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1)c1ccccc1 20615406 OPZMHBYBMAVJBL-HXUWFJFHSA-N 408.542 3.806 0 50 HHAA CCOC(=O)[C@@H]1CCCN([C@@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 39447897 NTEWOQKWKJCVRE-DHIUTWEWSA-N 408.542 3.996 0 50 HHAA Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@@H](c1ccc(F)cc1)CC(=O)N2 65363411 ALTLVEQVXRBFKB-QGZVFWFLSA-N 406.465 3.574 0 50 HHAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2C[C@@H]2C[C@H]3C=C[C@H]2C32CC2)cc1 104327034 YDIWGKPSKBPQID-DXBBTUNJSA-N 408.542 3.546 0 50 HHAA C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)NCc1ccc2c(c1)OCO2 221996310 BUJMVLNCZSFSCO-DCEUQSKDSA-N 419.905 3.541 0 50 HHAA C[C@@H]1CN(C(=O)c2ccc(CNc3ncc(Br)cc3F)cc2)C[C@@H](C)O1 239782532 COZACGGLORRCQK-CHWSQXEVSA-N 422.298 3.845 0 50 HHAA CN(c1ncnc2ccc(S(C)(=O)=O)cc12)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 253427306 PZPBEMPBKLRILC-VQTJNVASSA-N 411.527 3.716 0 50 HHAA O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 426580422 QTHXQYCPBXLXQL-YPAWHYETSA-N 413.525 3.947 0 50 HHAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 438377499 UZRBPOGZDKQPGQ-UMCXZLMOSA-N 400.522 3.504 0 50 HHAA CN1CCN(c2ccc(C(=O)Nc3ccc(OC[C@H]4CCCCO4)cc3)cc2)CC1 823792705 JZKCZYYSURPICD-HSZRJFAPSA-N 409.530 3.639 0 50 HHAA Cc1ccc(-n2c(SCC(=O)N=S(C)(C)=O)nnc2-c2cccc(C)c2)cc1 1307250631 KMKDMXPITBWTGC-UHFFFAOYSA-N 414.556 3.897 0 50 HHAA Cc1noc([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3c(C)noc3C)s2)n1 1506397289 ARGWODWICSXEND-ZDUSSCGKSA-N 408.505 3.627 0 50 HHAA COCCn1cccc1-c1nc(-c2oc(C)cc(=O)c2O)c(-c2ccc(OC)cc2)[nH]1 1772491536 MCLISJQTCUSKNX-UHFFFAOYSA-N 421.453 3.834 0 50 HHAA O=S(=O)(NC1CC(Nc2nc(C(F)(F)F)nc3ccccc23)C1)c1ccccc1 1775988499 MNOCIPVBQFGOLX-UHFFFAOYSA-N 422.432 3.570 0 50 HHAA COc1ccc(CCCNC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)cc1 1857714058 JYIHMASQRACMBB-GOSISDBHSA-N 408.502 3.587 0 50 HHAA COc1ccc(CN2CCC(C3CCN(Cc4csc(C)n4)CC3)CC2)cn1 1857724804 DTTLEFWULJKWBT-UHFFFAOYSA-N 400.592 3.979 0 50 HHAA Cc1ccc(OCC(=O)N2CCN[C@@H](c3ccc(Cl)cc3)C2)c(Br)c1 1875330034 KLDXZUHADZOUFX-QGZVFWFLSA-N 423.738 3.963 0 50 HHAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCc1ccccc1CN(C)C(=O)c1cc2ccccn2c1 1875342988 BUDZSTPEHLLGSA-YZZKKUAISA-N 419.525 3.641 0 50 HHAA Cc1nc(N2CCC[C@@]3(CCCCO3)C2)cc(N2CCC[C@]3(CCCCO3)C2)n1 2325749606 YMTLEGPBDLCSJS-ZRZAMGCNSA-N 400.567 3.864 0 50 HHAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3ccc(-n4cccn4)cc3)C2=O)cc1 2356150957 JWIILUVAXOYUKC-RUZDIDTESA-N 414.509 3.983 0 50 HHAA COc1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc(Br)c1OC 1058908 CFNXOUBSWWCANB-JTQLQIEISA-N 406.232 3.669 0 50 HHAA Cc1ccc(F)cc1NC(=O)CSc1nnc(COc2ccccc2C)n1C 1061800 JGYQNUXENXKMPU-UHFFFAOYSA-N 400.479 3.881 0 50 HHAA CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 1137421 HIKUJTJHBGBOLD-UHFFFAOYSA-N 401.315 3.815 0 50 HHAA O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCN(c2cccc(Cl)c2)CC1 2466874 YIFJYTZYFKNDAS-UHFFFAOYSA-N 424.913 3.525 0 50 HHAA CCOc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1 2720332 GCTZNDNJVOZPAD-UHFFFAOYSA-N 424.526 3.576 0 50 HHAA aggregator COc1ccc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)cc1OC 4165010 YNYWWQANRHVOFF-HXUWFJFHSA-N 424.482 3.722 0 50 HHAA O=C1c2ccccc2[C@]2(O)OC(c3ccccc3)=C(c3nc4ccccc4s3)[C@@]12O 5446547 BWXCLGRJFGOIBY-RPWUZVMVSA-N 413.454 3.968 0 50 HHAA Cc1cccc(Nc2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)nn2)n1 11697196 MVRBBVXGKKVMMV-UHFFFAOYSA-N 408.893 3.539 0 50 HHAA O=C(CCCc1ccccc1)Nc1cccc(N2CCC(N[C@H]3CCOC3)CC2)c1 11786864 LUBYUHVTMJTOFU-QHCPKHFHSA-N 407.558 3.995 0 50 HHAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(C(=O)c2ccc[n+]([O-])c2)C1 11874351 TUHITRLASYPNNK-IBGZPJMESA-N 404.441 3.861 0 50 HHAA COCc1c(C(=O)N(C)CC(C)C)cnn1-c1nccc(-c2cc(C)sc2C)n1 12040951 LLYLEVWTAMTNNJ-UHFFFAOYSA-N 413.547 3.882 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2ccc3nccnc3c2)C1 12052885 NTCGRKNTJYJFFL-XMMPIXPASA-N 421.472 3.797 0 50 HHAA CC(C)N1CCC(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)CC1 12111803 ZJHUMQXIALRMAY-HXUWFJFHSA-N 403.586 3.659 0 50 HHAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)cc1 12304491 XFXUBRZZGYSIBK-HXUWFJFHSA-N 424.566 3.980 0 50 HHAA COCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCCCCC3)cc2)CC1 12584565 IFBWDKJLASRZAE-UHFFFAOYSA-N 402.535 3.546 0 50 HHAA Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)c2ccc3c(c2)OCO3)n1C 15068198 ZDKVWFJFUZPDJZ-CQSZACIVSA-N 410.499 3.636 0 50 HHAA COC(=O)c1cc(C)sc1NC(=S)Nc1ncn(Cc2cccc(C)c2)n1 17082256 BIWLJFBJBXPXIL-UHFFFAOYSA-N 401.517 3.600 0 50 HHAA Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](c1ccccc1F)C2 18223041 GVFONCALCWAOSM-QGZVFWFLSA-N 417.488 3.558 0 50 HHAA CC[C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2c(Br)cnn2C)cc1 20605960 HIZFCSGTCOTACP-GFCCVEGCSA-N 400.342 3.517 0 50 HHAA CC(C)Cn1c(CN(C)CC2(N3CCCCC3)CCCCC2)cnc1S(C)(=O)=O 22913265 VOECUZZPWABCAV-UHFFFAOYSA-N 424.655 3.563 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)c(Cl)c1 82230471 SDHTUDWHUIJFQQ-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)c1 100820579 WNZDBUBAODIDHW-SJLPKXTDSA-N 420.465 3.802 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)c1 101877158 DLXQXYUHRMTGOB-QZTJIDSGSA-N 408.454 3.636 0 50 HHAA CN(C)c1cccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1 169753526 WWEAXIGJUPVCSY-IBGZPJMESA-N 407.493 3.681 0 50 HHAA COc1cccc([C@@H](NC[C@@H](O)COc2cccc3[nH]ccc23)c2ccccn2)c1 170598106 KGTNEDVNHDVXBP-HOYKHHGWSA-N 403.482 3.690 0 50 HHAA Cc1nnc(Cc2nc3cc(-c4ccc(Cl)cc4Cl)sc3c(=O)[nH]2)n1C 170610687 ZRBBGGZOOHAOQA-UHFFFAOYSA-N 406.298 3.986 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c(C)c1C 170633454 WTUNSWJQWHFQFH-QUCCMNQESA-N 405.516 3.795 0 50 HHAA COc1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1-n1nnnc1C 170635819 NKKNZYXUIBVODV-CHWSQXEVSA-N 401.829 3.514 0 50 HHAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccco4)N4c5ccccc5C=C[C@H]4[C@@H]3C2=O)cc1 198978744 VWRXTZBNETZZBD-UDIDDNNKSA-N 424.456 3.861 0 50 HHAA O=C(O)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)cc1 238199808 QGRUMSDKCAVKHW-LEWJYISDSA-N 402.450 3.787 0 50 HHAA CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCOCC2)CC1 238924091 QWWPPLKLWCLNKY-DNVJHFABSA-N 414.590 3.719 0 50 HHAA biogenic O=C(COc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(F)cc1 239165271 NUKMQEGPLUMHGV-IVORCOPGSA-N 417.436 3.645 0 50 HHAA C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 301434648 LSWFXTNPDRUIHJ-AAEUAGOBSA-N 402.413 3.874 0 50 HHAA Cc1cn2c(=O)c(C(=O)Nc3ccc(CC[C@@H](O)c4ccccc4)cc3)cnc2s1 772763330 BAJFFIWVBFPCHW-HXUWFJFHSA-N 419.506 3.983 0 50 HHAA COCC(=O)Nc1ccc(NC(=O)CSc2ccccc2NC(C)=O)cc1Cl 952963008 HALRYIKQMLFAHJ-UHFFFAOYSA-N 421.906 3.614 0 50 HHAA Cc1ccc(C(=O)Nc2c(C)c(C)cc3nc(O)[nH]c23)cc1NC(=O)[C@H]1CCCO1 952965561 AOENNSMMMYLFSA-QGZVFWFLSA-N 408.458 3.564 0 50 HHAA CNC(=O)c1cccc(NC(=O)c2cc(C)nc3c2cnn3Cc2ccc(C)cc2)c1 1317730091 LOMXIWKQRXNANH-UHFFFAOYSA-N 413.481 3.708 0 50 HHAA Cc1ccc(N(CC(C)C)S(=O)(=O)c2cnn(C)c2Br)c(C)c1 1464012752 ANIUYLJNIGJYAD-UHFFFAOYSA-N 400.342 3.651 0 50 HHAA COC(=O)c1cc2n(n1)CCC[C@@H]2Nc1ncnc2c(Br)cc(C)cc12 1875341160 IREVAQUUWNBQJI-ZDUSSCGKSA-N 416.279 3.631 0 50 HHAA O=S1(=O)CC[C@H](n2nc(-c3ccncc3)nc2Cc2ccc(C3CCC3)cc2)C1 1875348876 FTIQUBQDDRYRSC-FQEVSTJZSA-N 408.527 3.558 0 50 HHAA C[S@](=O)Cc1c(C(=O)Nc2cccc3c2OCC[C@@H]3O)sc2ccccc12 2325738514 MHWXLVBJLJAKMM-OQRWROFFSA-N 401.509 3.848 0 50 HHAA O=C(O)[C@H](NC(=O)[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21)c1ccc(F)c(F)c1 2325877395 QEVFGTLPKRJJAP-KKBVYLPWSA-N 422.225 3.555 0 50 HHAA COc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1C 1114814 PZUQYPKLYOMMBD-UHFFFAOYSA-N 408.951 3.785 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc2c(cc1Cl)OCO2 1184878 HRYRQDYUTGJGGZ-GOSISDBHSA-N 416.886 3.562 0 50 HHAA CCn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)NCc2ccco2)n1 2798481 TYNWWSDLSQVYCL-UHFFFAOYSA-N 407.257 3.985 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 2998067 LQLKAWWSWRMWJU-UHFFFAOYSA-N 400.862 3.602 0 50 HHAA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(C)c(Br)c1 4621642 LRIYOPHNGFZPHQ-UHFFFAOYSA-N 407.289 3.671 0 50 HHAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)C2=C(C)OCCO2)CC1 11661766 MNOCBCRFVNXTIX-UHFFFAOYSA-N 416.562 3.670 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c(C)c1 11697547 ZSDRMVVWVUBUEX-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)c1ccc2c(c1)OCO2 12038604 FDERAWSSCPXIQX-KRWDZBQOSA-N 408.841 3.864 0 50 HHAA CC(=O)c1ccc(-c2nnc(CCC(=O)N(CC3CCC3)C[C@H]3CCCO3)o2)s1 12056706 OZFSYNDHXSKKMY-MRXNPFEDSA-N 417.531 3.741 0 50 HHAA O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccc4nonc34)N3CCC[C@@]123 12074086 OFXXWXYELGEXSB-OHEPNIRZSA-N 408.889 3.814 0 50 HHAA O=C(NCCCn1ccc2ccccc21)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12434666 MXZGWIHFAREQJD-HXUWFJFHSA-N 407.489 3.726 0 50 HHAA COc1cccc(-c2cn3c(C(=O)N(C)Cc4ccc5nonc5c4)csc3n2)c1 12444441 NUKHJWHVMJEULD-UHFFFAOYSA-N 419.466 3.880 0 50 HHAA CCCN(C[C@H]1CCCO1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12473250 PFONUNWAPZSWJX-GOSISDBHSA-N 410.518 3.686 0 50 HHAA O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 13454218 LETMSSKQFGRAKI-BKKLHLQPSA-N 423.468 3.575 0 50 HHAA C[C@@]1(C2CCN(Cc3cccc(F)c3F)CC2)NC(=O)N(Cc2ccsc2)C1=O 14881214 QQRSKISYDKPERH-NRFANRHFSA-N 419.497 3.749 0 50 HHAA COc1cccc(CN2CCN(C3CCN(c4ccccc4C)CC3)C[C@H]2CCO)c1 38149457 GDIWPBQWHPQJDD-XMMPIXPASA-N 423.601 3.541 0 50 HHAA COc1ccccc1[C@@H]1CN(CC(=O)N[C@H]2CCOC(C)(C)C2)Cc2ccccc2O1 42437784 RXYARSGZTQJRLT-CVDCTZTESA-N 424.541 3.705 0 50 HHAA CCOc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3ccc(C)cc3)C2=O)cc1 101160230 ADANSFCQACPHNC-LJQANCHMSA-N 412.511 3.788 0 50 HHAA Cc1nc(C)c(CNC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)c(C)n1 170607797 ZIQGTXWJGBRHET-UHFFFAOYSA-N 401.873 3.678 0 50 HHAA CC(=O)[C@@H]1CC(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)=NN1c1ccccc1 170636282 MUQQGFTWWURHIP-IBGZPJMESA-N 406.467 3.678 0 50 HHAA CN(C)CCN(C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Cl)c1Cl 225616556 MJPQPMIVVXTXMT-HNNXBMFYSA-N 412.361 3.537 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)O)c2C(N)=O)C1 239174505 QDVGFMMSWZDTEO-VHDGCEQUSA-N 404.532 3.748 0 50 HHAA CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl 253416643 XQKWLHKGNHNKJZ-RLFYNMQTSA-N 401.309 3.622 0 50 HHAA Cn1cc([C@@H](NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c2ccccc2)cn1 1323278634 OEFHAJVJOAWFIR-MOPGFXCFSA-N 418.419 3.561 0 50 HHAA CCOc1cc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)ccc1OCC=C(C)C 1857692578 LIGVXJRVBRQLAC-LJQANCHMSA-N 403.519 3.744 0 50 HHAA O=C1CCC[C@H]2[C@@H]3C[C@@H](CN(c4cc(C5CC5)ncn4)C3)[C@H](Cc3cccc(F)c3)N12 2356144033 HDZIIQXMKGLFGQ-FUKQBSRTSA-N 420.532 3.942 0 50 HHAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1063172 NGSQDQQENBUCFQ-HNNXBMFYSA-N 414.458 3.924 0 50 HHAA CN1C(=O)c2ccc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)cc2C1=O 1067311 IFGFGANVSMGUQY-UHFFFAOYSA-N 424.412 3.938 0 50 HHAA CCc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2)cc1 1070402 LTZQUYPBRXKZRE-UHFFFAOYSA-N 410.280 3.980 0 50 HHAA CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 1144067 SXEQGMLSHXCSIS-UHFFFAOYSA-N 404.271 3.980 0 50 HHAA CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 2885801 IZFAPQBLNLLQFZ-UHFFFAOYSA-N 424.478 3.708 0 50 HHAA COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(C(F)(F)F)c2)C3)cc1 6668404 WLSSGFBLIJBXDC-SFHVURJKSA-N 417.387 3.711 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccc[n+]([O-])c2)C1 11753927 RSUYJWRZMZUAIB-LJQANCHMSA-N 402.450 3.847 0 50 HHAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc3c(s2)CCCC3)CC1 12313848 OWMBFJWUVCBSJP-IBGZPJMESA-N 418.651 3.615 0 50 HHAA CN(C)c1ccc(CCC(=O)N(C)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 12436159 XWDAYJWUUIIOHO-XMMPIXPASA-N 405.586 3.775 0 50 HHAA COc1ccccc1C(=O)N1CCC(n2c([C@@H]3CCCO3)nc3cccnc32)CC1 12726803 CEZMGTSAAPFGJC-FQEVSTJZSA-N 406.486 3.769 0 50 HHAA COc1cccc(-c2cc(-c3nc([C@@H]4CC(=O)N(C5CCCCC5)C4)no3)[nH]n2)c1 169762212 FENTVHACBQAAIC-OAHLLOKOSA-N 407.474 3.784 0 50 HHAA COc1ccc2[nH]c([C@@H](C)NC(=O)[C@H](C)Oc3ccccc3Br)nc2c1 170598438 ALMNFFFQMZMFEG-NEPJUHHUSA-N 418.291 3.979 0 50 HHAA CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)/C=C/c3cncc(F)c3)C2)CC1 170602638 SGWCTGKUMWHQNV-AATRIKPKSA-N 403.498 3.874 0 50 HHAA Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc(N2CCCCCC2)nc1 170629512 GPWGMSHVFQDEBJ-UHFFFAOYSA-N 401.532 3.567 0 50 HHAA Cc1cccc2c1CCN2C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 195734718 HRSRZSBJKVBYMN-INIZCTEOSA-N 418.946 3.638 0 50 HHAA COc1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)cc1OC 238900531 JFWGLBGWUASOBY-QAQDUYKDSA-N 421.497 3.859 0 50 HHAA COc1ccccc1Cc1nnc(SC[C@H]2CCN(C(=O)c3ccccc3)C2)o1 253398434 VTOVKEXTTHKCJJ-INIZCTEOSA-N 409.511 3.923 0 50 HHAA CN(C)C(=O)C[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)c2ccc(Cl)cc21 476101580 AUAPCBXTJMKROB-ZQWPXBLHSA-N 410.945 3.643 0 50 HHAA NC(=O)c1nc(Cl)ccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 1319938690 KYSKDUBDPQPMIC-KRWDZBQOSA-N 421.840 3.540 0 50 HHAA COc1ccc2[nH]c(=O)c(-c3nccn3C3CCN(Cc4cccnc4)CC3)cc2c1 1857685154 PKMMFCOEQZOSJA-UHFFFAOYSA-N 415.497 3.632 0 50 HHAA O=C(NCCC[C@H]1CCC[C@H]1O)NCc1ccc(Cn2cnc3ccccc32)cc1 1875263994 MQXLUGPATFAALI-NFBKMPQASA-N 406.530 3.825 0 50 HHAA CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c2ncccc12)[C@H](O)c1ccccc1F 2325749120 RCHVUTWFQZGCLF-VQIMIIECSA-N 415.852 3.594 0 50 HHAA COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N[C@H](C)c1ccc2nc(C3CC3)[nH]c2c1 2325861009 CAZZTHFEDDEXCB-PXAZEXFGSA-N 404.470 3.752 0 50 HHAA CC(C)(C)c1ccccc1NC(=O)CCC(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356156294 UZLWXUNHMHBXQH-XMMPIXPASA-N 408.546 3.933 0 50 HHAA COc1ccc(-c2csc(=O)n2NC(=O)Cc2ccc(Br)cc2)cc1 622880 VVSRKDACSJADEC-UHFFFAOYSA-N 419.300 3.661 0 50 HHAA COc1ccccc1C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 893097 JRTADOCSHZKSIB-UHFFFAOYSA-N 414.505 3.812 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccccc2)cc1 1135183 KZPCOVAOYGIUBS-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)n1 4744644 GUQPYECCCAPBDS-UHFFFAOYSA-N 404.561 3.644 0 50 HHAA O=C1c2ccccc2[C@]2(O)OC(c3ccccc3)=C(c3nc4ccccc4s3)[C@]12O 5446545 BWXCLGRJFGOIBY-ZEQRLZLVSA-N 413.454 3.968 0 50 HHAA C[C@@H]1CCCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1 12301127 VWDDKSRBBGCSLF-HXUWFJFHSA-N 423.605 3.657 0 50 HHAA Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1 12306578 XDWZQSFXSXZQIB-NRFANRHFSA-N 416.525 3.966 0 50 HHAA O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cccn3-c3ccccn3)N3CCC[C@@]123 12318218 UDOVUVSNSCAONF-KJOQGJGQSA-N 412.537 3.853 0 50 HHAA CC(C)N(Cc1nccn1C)C(=O)c1cc(COc2ccc3ncccc3c2)on1 12434287 SQJQVZXFLXZAKO-UHFFFAOYSA-N 405.458 3.586 0 50 HHAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccc(Cn4cnnn4)cc3)C2)cc1 12436388 NYZJRBWMNWZPPI-JOCHJYFZSA-N 404.518 3.562 0 50 HHAA COc1ccccc1OCCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1OC 12730866 QPEFLXIIGMEIOY-UYRXBGFRSA-N 415.467 3.876 0 50 HHAA Cc1ccc(NC(=O)CN2CCN(c3ccccc3C)CC2)cc1Br 54959656 UUAKDPDQHHUTMT-UHFFFAOYSA-N 402.336 3.827 0 50 HHAA O=C1C[C@H](N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 101274354 DLECZTOWFHLAMO-SFHVURJKSA-N 422.287 3.587 0 50 HHAA O=C1NCCN(Cc2csc(-c3cccs3)n2)[C@H]1Cc1nc2ccccc2o1 170599791 XENHOJZVIHBHLI-HNNXBMFYSA-N 410.524 3.556 0 50 HHAA Cc1ccc(S(=O)(=O)c2ccc(Cn3ccnc3[C@H](O)c3ccco3)cc2)cc1 170605452 HIFSGKGURTVQCM-OAQYLSRUSA-N 408.479 3.747 0 50 HHAA O=C(O)C[C@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)c1ccccc1 237995973 MFFBUTUBJVRAAF-AWEZNQCLSA-N 414.259 3.785 0 50 HHAA COC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC[C@]4(O)C(=O)COC(C)=O)[C@@]2(C)CC1 257356466 IFPCMALVGSJXQO-JRJNJITBSA-N 402.531 3.953 0 50 HHAA COc1ccccc1-c1noc(-c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)n1 263618053 QZZQZDNZWPZKBZ-HXUWFJFHSA-N 418.409 3.609 0 50 HHAA Cc1noc([C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)on2)C(C)C)n1 334163187 WDRRSSIJBYLLBZ-HNNXBMFYSA-N 405.252 3.923 0 50 HHAA O[C@@H](c1ccccc1)C1(CNCc2cc3ccccc3nc2N2CCOCC2)CC1 752099893 FADMBSBBNZGWET-QHCPKHFHSA-N 403.526 3.675 0 50 HHAA CN1C[C@]2(CCCN(Cc3ccc(OCC(=O)c4ccccc4)cc3)C2)CCC1=O 952975976 DHOWGNVBSNCFKR-VWLOTQADSA-N 406.526 3.783 0 50 HHAA O=S(=O)(NCc1cccc(OCC(F)(F)F)n1)c1ccc(Cl)cc1Cl 1256427474 IEOZTNRDQZMGMY-UHFFFAOYSA-N 415.220 3.808 0 50 HHAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)cc1F 1800412034 UTNQQGYRXJZIRS-HXUWFJFHSA-N 411.473 3.678 0 50 HHAA O=C(c1cccc(O)n1)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857689167 KUWLCRLPNCRDNN-NRFANRHFSA-N 423.557 3.889 0 50 HHAA O=C1CC2(CCN(C(=O)Cc3ccsc3)CC2)OCCN1C/C=C/c1ccccc1 1857690759 RLFVTJWMTUNWPG-QPJJXVBHSA-N 424.566 3.614 0 50 HHAA CCn1cc(NC(=O)C2CCN(Cc3nc(-c4ccc(C(C)C)cc4)no3)CC2)cn1 1875252906 DATPOUBPCXPZID-UHFFFAOYSA-N 422.533 3.927 0 50 HHAA NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)Nc3ccc(F)c(Cl)c3)nc12 1875350487 PHTJNAIFKWQLLG-UHFFFAOYSA-N 409.808 3.540 0 50 HHAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 853930 HDWVVZKNCFAWCI-IRLDBZIGSA-N 422.481 3.616 0 50 HHAA biogenic Cc1ccc(C(=O)[C@@H](OC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 1164478 ACBNTTVBYNHSID-QHCPKHFHSA-N 413.429 3.758 0 50 HHAA aggregator COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1C)S(C)(=O)=O 1173497 QJLNZXZSVQSQTP-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA COc1ccc2c(C)c(CC(=O)NCCc3ccc(Cl)cc3)c(=O)oc2c1OC 4540685 IJOFKVVVXFEKMQ-UHFFFAOYSA-N 415.873 3.673 0 50 HHAA O=C(O)C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1I 4801899 AFOJNOGSISSXTJ-CYBMUJFWSA-N 409.223 3.563 0 50 HHAA CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2)ccc1N1CCCC1 10009860 SWXDMEOMYOQVSF-UHFFFAOYSA-N 401.532 3.536 0 50 HHAA COc1ccc2cc(CNCCn3ccnc3)c(OCc3ccccc3F)nc2c1 12217638 YNGZSSYRKKDLCZ-UHFFFAOYSA-N 406.461 3.948 0 50 HHAA CC1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)CC1 12429662 SOQNPHDIGLDMEX-UHFFFAOYSA-N 423.605 3.657 0 50 HHAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(F)cc2)CC1 12443215 FQQSDDHJRBDQDC-OJZQOFKYSA-N 401.570 3.932 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)s1 12711551 QFPQADXYCIPQRT-MRXNPFEDSA-N 424.563 3.693 0 50 HHAA CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3cn(C)c4ccccc34)CC2)C1=O 14751064 PLIAVTJTZTWPEN-UHFFFAOYSA-N 416.525 3.607 0 50 HHAA CCc1nc2ccccc2c(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1C 22454674 CUYTZDGNTMFMIK-UHFFFAOYSA-N 402.542 3.862 0 50 HHAA COC(=O)N1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)CC1 72439733 GFQIHELQWGABAN-UHFFFAOYSA-N 423.444 3.654 0 50 HHAA Cc1c(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)cnn1-c1ccccc1F 170601266 JEWVZYICJVKJPW-CRAIPNDOSA-N 416.497 3.838 0 50 HHAA O=S(=O)(c1cc(F)ccc1Cl)N(Cc1cccnc1)c1ccc2c(c1)OCO2 253427678 BJIRMVHVTHIQRU-UHFFFAOYSA-N 420.849 3.998 0 50 HHAA COc1ccc([C@H](CC(=O)Nc2ccc(F)cc2)c2c(O)cc(C)oc2=O)cc1O 253470698 ACUPLWLOPLHQRK-INIZCTEOSA-N 413.401 3.668 0 50 HHAA Fc1cccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc5c(c3)OCO5)OC4)n2)c1 263617057 LWOFQEQKAGFNTE-IBGZPJMESA-N 406.373 3.739 0 50 HHAA O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1ccc(F)cc1Cl 263618011 QWGCIQPNVOZLBC-UHFFFAOYSA-N 401.800 3.635 0 50 HHAA Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)c2cc(Br)ccc2n1 431215694 HFXVGTLTKUPKIT-HNNXBMFYSA-N 403.276 3.633 0 50 HHAA Cc1cc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)nc2nc(O)nc(O)c12 468179497 SVFZYTFLZFFNRR-SFHVURJKSA-N 412.449 3.532 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccccc1OCCO 1857677801 NAQABOVIXMDTRU-QQKQFIJSSA-N 409.526 3.587 0 50 HHAA CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(c1ccc(OC(F)(F)F)cc1)C2=O 1080424 SJLBRIQQSJBMLP-KRWDZBQOSA-N 403.360 3.582 0 50 HHAA COC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)o2)sc2c1CCCC2 2809617 WIGSEVLHRPYRFQ-UHFFFAOYSA-N 419.484 3.787 0 50 HHAA O=C(Nc1nnc(C(F)(F)F)s1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9426653 SGTAIHYQLYWMRY-UHFFFAOYSA-N 418.828 3.701 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2cccc3nccnc23)C1 11999641 IEWWRSJRHUKBSY-DEOSSOPVSA-N 421.472 3.797 0 50 HHAA CC(=O)N1CCC(N2CC[C@H](C3CCN(Cc4cccc(F)c4F)CC3)C2)CC1 12111731 LURXWXFOZBZPBZ-IBGZPJMESA-N 405.533 3.510 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@H](NCC1CCCCC1)CC3 12243284 ODQMACJQAATFPO-QGZVFWFLSA-N 408.571 3.929 0 50 HHAA O=C(CCC1CCN(C(=O)[C@@H]2CC=CCC2)CC1)N1CCN(c2ccccc2)CC1 12319452 TTZVCASQHQNBOO-JOCHJYFZSA-N 409.574 3.710 0 50 HHAA COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1 12593410 AOYUARWXDXOVQF-KRWDZBQOSA-N 403.906 3.815 0 50 HHAA O=C(CCc1cccnc1)N1CC[C@H]2[C@H](CCCN2C(=O)/C=C/c2ccccc2F)C1 14881418 WVXYEINDGVVRHN-HRQOKUPJSA-N 421.516 3.706 0 50 HHAA COc1ccc(OCC(=O)NC[C@H]2Cc3cc(-c4ccc(C)cn4)ccc3O2)cc1 14885967 NSYGSNYYAWKWMI-OAQYLSRUSA-N 404.466 3.564 0 50 HHAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1=O 20562911 PABZMJRCHZPNLL-LJQANCHMSA-N 421.541 3.733 0 50 HHAA Cc1nn(-c2ccc(C(=O)O)cc2)c2nc(-c3ccn(C)n3)cc(C(F)(F)F)c12 20615573 UERIWECZRFMMOR-UHFFFAOYSA-N 401.348 3.846 0 50 HHAA C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccccc4Cl)c(=O)n1c23 100663077 PZEVZXWJGSJMAL-LLVKDONJSA-N 400.837 3.937 0 50 HHAA O=C(c1ccc(N2CCOC2=O)cc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 170623580 YXYHOCACLGOTCZ-FQEVSTJZSA-N 414.889 3.882 0 50 HHAA CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 215048625 MSPDPDBCUGJEFN-HSZRJFAPSA-N 409.530 3.835 0 50 HHAA Cc1cccc(NC(=O)[C@H]2CCCN(C[C@H](O)Cc3ccc4ccccc4c3)C2)n1 225396338 OVGZOBWFBNCWGD-XZOQPEGZSA-N 403.526 3.797 0 50 HHAA O=C(Nc1ccccc1Cl)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)CC1 239105316 IFFSTGSYOPAFBV-UBTJPOHJSA-N 424.928 3.890 0 50 HHAA O=c1[nH]c2ccccc2n1C1CCN(c2nc3ccccc3nc2N2CCCC2)CC1 301724687 OZWNQASURVLFHY-UHFFFAOYSA-N 414.513 3.715 0 50 HHAA Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2c(c1)CCCC2 328590619 SYFYGCHUCKXEFA-FQEVSTJZSA-N 424.545 3.733 0 50 HHAA O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CC[C@H](Oc2cccc(F)c2)C1 784534903 UMJCVPCSLRBBCK-IBGZPJMESA-N 402.429 3.853 0 50 HHAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCCN(Cc3cccs3)CC2)no1 1506413531 IZMPAAMCFKDXFH-UHFFFAOYSA-N 405.955 3.806 0 50 HHAA COCCNc1nc2cc(C(=O)N(C)Cc3cc(-c4ccccc4)no3)ccc2n1C 1506426630 IQSIAWUUSUZVFU-UHFFFAOYSA-N 419.485 3.559 0 50 HHAA C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1F)C2 1857687625 WZWXWBSBBXZIDJ-XNGFIGEISA-N 400.469 3.759 0 50 HHAA CC(=O)N1CCC[C@]2(CCc3c(N(C)Cc4ncccc4C)nc(C4CC4)nc32)C1 1875244798 VKCUSAWCWZTATO-DEOSSOPVSA-N 405.546 3.520 0 50 HHAA Cc1sc2nc(-c3cccnc3)nc(N(C)CCS(=O)(=O)C(C)C)c2c1C 1875253608 QXNHZYFNBJHEEN-UHFFFAOYSA-N 404.561 3.630 0 50 HHAA CC[C@H]1CC[C@H](C(=O)N2CCCCC[C@H](NC(=O)c3cccc(C(N)=O)c3)C2)CC1 2325864569 SQUZXCBOIVWXPC-WFXMLNOXSA-N 413.562 3.503 0 50 HHAA Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 664148 UEGYNBQFHBFSDB-UHFFFAOYSA-N 402.516 3.624 0 50 HHAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 789980 JGOXVVNCYBAAFD-UHFFFAOYSA-N 411.483 3.687 0 50 HHAA Cc1ccc(N(Cc2ccc(C(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1C 840241 HLNYGHIQAQKCHT-UHFFFAOYSA-N 412.511 3.793 0 50 HHAA CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)ccc1O 845726 YDAMXLSJGFVIGO-SFHVURJKSA-N 401.850 3.711 0 50 HHAA CCN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 1069532 IBSCTPUKUBVNSY-OAHLLOKOSA-N 411.527 3.743 0 50 HHAA CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2C)c2cc(Br)ccc21 1124080 OSQREOHGQCXKCZ-HXUWFJFHSA-N 402.288 3.893 0 50 HHAA O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccccn1)Nc1ccccc1 1127893 SJNGXESZVVUTNT-FQEVSTJZSA-N 418.428 3.587 0 50 HHAA O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F 1161944 HGFVAVMWAAUZHA-UHFFFAOYSA-N 420.412 3.938 0 50 HHAA COc1ccccc1OCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 1178893 QFMMQDQXKNXKRC-UHFFFAOYSA-N 420.421 3.663 0 50 HHAA O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(CCc3ccccn3)c2)cc1 1444225 BCAMGGVAHMEJDZ-UHFFFAOYSA-N 421.522 3.794 0 50 HHAA CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2Cl)CC1 4749086 NMKIUMCTJTZOGE-UHFFFAOYSA-N 401.894 3.521 0 50 HHAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3ccc(F)c(F)c3)CC2)c1 11816591 VKIBGELTYFWWSI-UHFFFAOYSA-N 416.468 3.909 0 50 HHAA COc1ccc(C[C@@]2(CCC(=O)N[C@H](C)c3ccc(OC)cc3)CCC(=O)N2)cc1 11909859 GCDWMBSOJVOPIA-MZNJEOGPSA-N 410.514 3.553 0 50 HHAA CCCN(CC1CC1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C 12244226 OGTZPFMGHFTDHY-UHFFFAOYSA-N 401.514 3.999 0 50 HHAA CCN(CC)CCN(CC)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C 12456586 IDSSNBQHDITEGV-UHFFFAOYSA-N 412.563 3.503 0 50 HHAA O=C(Nc1ccc(Br)cc1Cl)N1CCN(Cc2cccnc2)CC1 13324371 KJQSILWRXTZXNV-UHFFFAOYSA-N 409.715 3.847 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(C)c(C)c3)n2)ccc1C 16626196 IIXRHYCGHHPMJI-QGZVFWFLSA-N 418.497 3.994 0 50 HHAA CC(=O)Nc1cccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)c1 16651753 BDKZIKQRZWYHFB-UHFFFAOYSA-N 418.478 3.942 0 50 HHAA Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)ccc2Cl)c1 18166490 KJNPWHBFVAFABW-GASCZTMLSA-N 422.934 3.699 0 50 HHAA Cc1ccc(-n2cccn2)c(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c1 19221256 GMRQTPIFZRPPEU-DEOSSOPVSA-N 404.558 3.558 0 50 HHAA Cc1cc([C@@H]2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)on1 33269755 CXEGJSNBMYHYHO-AWEZNQCLSA-N 405.380 3.899 0 50 HHAA CCc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)cc1 252020839 YFMMOCVQZBMPGN-XSDIEEQYSA-N 422.912 3.738 0 50 HHAA CCCCCn1c(=O)c(C(=O)Nc2cc([N+](C)=O)ccc2O)c(O)c2ccccc21 299738151 BZCVCMOGPQJSAI-UHFFFAOYSA-O 410.450 3.895 0 50 HHAA O=C(O)COc1ccc(-c2cnccn2)cc1CN1CC=C(c2ccccc2)CC1 299755326 AICHGJYQSNGWEJ-UHFFFAOYSA-N 401.466 3.896 0 50 HHAA O=C1CCCc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)cc21 427034643 OXLNXZZALBFKQE-QGZVFWFLSA-N 416.481 3.573 0 50 HHAA CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CCS[C@@H]2COCC[C@@H]21 430357910 WSPDNQKQWBZKAG-JKSUJKDBSA-N 419.547 3.660 0 50 HHAA C[C@]1(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)CCCN(C(=O)c2ccccc2)C1 439058862 VNNHNPQIGUABRD-DEOSSOPVSA-N 408.546 4.414 0 50 HHAA CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(Cl)cn2)c2ccccc2)c1 464378204 WARAFHOLJGXMME-IBGZPJMESA-N 400.887 3.658 0 50 HHAA CC(C)(C)c1noc(-c2ccccc2C(=O)NC2CCN(c3nccs3)CC2)n1 466604305 MWPSOQLSRCJEKK-UHFFFAOYSA-N 411.531 3.889 0 50 HHAA O=C(Nc1cccc(CNCc2ccnn2-c2ccc(F)cc2)c1)c1ccncc1 474619763 VSHVMIFWAKIMBT-UHFFFAOYSA-N 401.445 3.949 0 50 HHAA CC[C@]12COC(=O)N1CCN(C(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 1857678328 DOVDXQXXXPVMTN-DEOSSOPVSA-N 401.466 3.959 0 50 HHAA O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)N1CC[C@@H](c2cccnc2)C1 1875315028 FORKCOISHAEFLP-MALNDZBISA-N 403.526 3.871 0 50 HHAA O=C(O)c1ccc(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 2325850231 QLHHHAUIXCVJLN-SFHVURJKSA-N 406.404 3.857 0 50 HHAA O=C(NCCSc1ccccc1)c1ccc2[nH]nc(I)c2c1 2325854710 RATZIABVXBZUAI-UHFFFAOYSA-N 423.279 3.690 0 50 HHAA CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 752167 OHEIUDYHDZEESK-UHFFFAOYSA-N 411.321 3.732 0 50 HHAA COc1cc2c(cc1OC)CN(Cc1cc(Br)c(O)c(OC)c1)CC2 755742 GEHDHVOPJLNBOV-UHFFFAOYSA-N 408.292 3.739 0 50 HHAA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccccc3F)C2)cc1OC 890369 GFPBOZOPRURFGB-SFHVURJKSA-N 414.433 3.776 0 50 HHAA COc1cccc(C(=O)NCc2cccc(CNC(=O)c3cccc(OC)c3)c2)c1 1165223 LBZSBQXFECLWHF-UHFFFAOYSA-N 404.466 3.564 0 50 HHAA C[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)c1ccccc1 1431919 ANJXJEHJCAUIIC-LLVKDONJSA-N 413.326 3.925 0 50 HHAA CCN(CC)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC 2880870 KWYQROQXRLCENX-UHFFFAOYSA-N 418.559 3.684 0 50 HHAA CCCN(CCC)C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 2989825 HCPROOPSWLBHCG-OAQYLSRUSA-N 404.576 3.673 0 50 HHAA CSc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)cc1 11932800 ZVLYLIWEUIGHQV-GOSISDBHSA-N 400.519 3.645 0 50 HHAA CC(=O)c1ccc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)cc1 11969443 MBSWLWDWDSSFIC-HXUWFJFHSA-N 419.456 3.836 0 50 HHAA COC(=O)c1cccc(C(=O)N2CC[C@]3(CCCN(Cc4cccc(OC)c4)C3)C2)c1 12433177 OZIHAHGGIWIKPE-VWLOTQADSA-N 422.525 3.610 0 50 HHAA Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccccn3)c2)s1 12612775 OKLJEYQKYSQLNO-GOSISDBHSA-N 407.499 3.542 0 50 HHAA O=C(Nc1ccc(Br)cn1)c1cc2nccc(-c3cccs3)n2n1 13643982 UWIXNENFFUDVQR-UHFFFAOYSA-N 400.261 3.868 0 50 HHAA Cc1cc(C(=O)N(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)c(=O)[nH]c1C 15065124 FQRPTOYGGGFLFM-UHFFFAOYSA-N 415.965 3.672 0 50 HHAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3Cl)n2)cc1NC(C)=O 16650943 KBMCBUMGMBIDAM-UHFFFAOYSA-N 424.888 3.723 0 50 HHAA COc1ccc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)c(OC)c1OC 19552790 ANGHRGCFPZXVOP-UHFFFAOYSA-N 420.509 3.824 0 50 HHAA O[C@@H](COc1ccc2oc3c(c2c1)CCCC3)CN1CCN(c2ccccc2)CC1 19606698 WNGKKNSUHAHMOK-HXUWFJFHSA-N 406.526 3.874 0 50 HHAA CC(C)c1ccc(CN2CCN(CC(=O)Nc3cccc4nsnc34)CC2)cc1 22752370 AZRKMZDFVYTZPS-UHFFFAOYSA-N 409.559 3.571 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2CCO)c(C)c1C 23358913 BWTYEMKWFDGXCF-FQEVSTJZSA-N 404.501 3.659 0 50 HHAA O=C(Nn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O)c1ccc(Cl)cc1 40387764 JBHOURBODXRPOP-UHFFFAOYSA-N 415.840 3.749 0 50 HHAA Cc1nc(N2CCC(C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C43CC3)CC2)nc2ccccc12 104450096 MFEISVZVLZXBLP-QKNQBKEWSA-N 402.542 3.873 0 50 HHAA CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 170602632 QDDUURKQCTVNFC-UHFFFAOYSA-N 410.898 3.631 0 50 HHAA CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1cccs1 245256949 UNJYTPNGOZQTFM-FRYIKTPZSA-N 406.507 3.616 0 50 HHAA C[C@H]1CCCN(C(=O)C2CCN(C(=O)[C@@H](C)Cc3cncc4ccccc34)CC2)C1 408516419 PEHDUSHCEMIYAI-OALUTQOASA-N 407.558 3.911 0 50 HHAA Cc1ccc([C@H](CN2CCOCC2)NC(=O)Cc2nc(C(C)C)c(C)s2)cc1 436250510 GOYRHOBJQSOQTB-IBGZPJMESA-N 401.576 3.616 0 50 HHAA Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)C2)cc1 475530251 NRPAYGRLCRCQOJ-UNFOTQSGSA-N 419.569 3.749 0 50 HHAA Cc1cc(N2CCC(NC(=O)[C@@H](Oc3ccccc3)c3ccccc3)CC2)nc(C)n1 488883943 QVHADVPIHKKTRD-DEOSSOPVSA-N 416.525 3.999 0 50 HHAA Cn1ccnc1[C@@H](NC(=O)NC[C@@H](O)c1cc2ccccc2s1)c1cccc(F)c1 757608255 WKTMOIABYUSGPD-XLIONFOSSA-N 424.501 3.896 0 50 HHAA O=C(NC[C@@H]1CCOc2ccccc21)N1CCC(O)(c2c(F)cccc2F)CC1 779570558 RKCKSEVPQATNAD-HNNXBMFYSA-N 402.441 3.524 0 50 HHAA CN(C)C(=O)c1cccc(N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 1704310004 WAAWIEIUQYJHOS-RUZDIDTESA-N 413.525 3.725 0 50 HHAA C[C@H](O)c1cnc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)s1 1875260724 ZLERHOWTDGXGBA-NWDGAFQWSA-N 411.453 3.638 0 50 HHAA CCc1cc(CN2CCC[C@@]3(CCCN(C(=O)c4cccn4C4CC4)[C@H]3C)C2=O)on1 1940197635 DYBCBGQXHDWJNT-XDHUDOTRSA-N 424.545 3.807 0 50 HHAA Cc1cccc(N2C[C@H](NC(=O)c3ccc(-c4nncc(C)c4C)cc3)CC2=O)c1 2356167593 UMSKBDNAQIJODI-HXUWFJFHSA-N 400.482 3.604 0 50 HHAA O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 675232 OCABDLVMKPXFKI-UHFFFAOYSA-N 422.934 3.922 0 50 HHAA O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1)N1CCSCC1 720069 KGEPFCLOWSDBLJ-UHFFFAOYSA-N 414.890 3.935 0 50 HHAA Cc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)c1 778072 AZCWCPJBNIXSKD-QGZVFWFLSA-N 402.903 3.961 0 50 HHAA COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 817002 OPUNYJRYOJZRNB-UHFFFAOYSA-N 410.923 3.877 0 50 HHAA COc1ccc(CNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 854549 FAKHERIKZWZWJP-UHFFFAOYSA-N 424.522 3.591 0 50 HHAA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc1 1110259 VTXCIMCVVPCLRY-UHFFFAOYSA-N 412.914 3.985 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)cc1Br 1160362 ZMMCFSNMUUFJAU-UHFFFAOYSA-N 423.288 3.591 0 50 HHAA CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cnccn1 2384703 RCINGKFGXDMUOE-UHFFFAOYSA-N 409.302 3.793 0 50 HHAA CCOc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)ccc1OC 4736955 IRRLTSSMYVVQCY-NRFANRHFSA-N 419.485 3.921 0 50 HHAA CN1C(=O)[C@@](O)(CC(=O)c2cc3ccccc3o2)c2cc(Br)ccc21 6686542 SYJUBFPNIGZDHO-LJQANCHMSA-N 400.228 3.632 0 50 HHAA CC(=O)O[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2NC1=O 8743413 WFNOHKYMHSJTSM-KRWDZBQOSA-N 407.651 3.781 0 50 HHAA CN(Cc1cnn(C)c1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 11718675 ZVROIMHIDUFWKY-UHFFFAOYSA-N 401.470 3.634 0 50 HHAA Cc1nc(C)c(C(=O)NCc2nc(N3CCCC3)c3cc(Cl)ccc3n2)s1 12024528 UCTXOZDXEWSLER-UHFFFAOYSA-N 401.923 3.887 0 50 HHAA CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)o2)CC1)c1ccccc1 15070397 UBSHTAAWRPQPJH-QFIPXVFZSA-N 408.502 3.948 0 50 HHAA OCC[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CCN1Cc1ccsc1 22932625 JWUHAPRIEALELE-IBGZPJMESA-N 416.978 3.656 0 50 HHAA Cc1ccc2c(C(=O)N3CCC[C@@H]3c3nc(C)no3)cc(-c3cnn(C)c3)nc2c1 63855938 WNOSGGVINUGNPP-HXUWFJFHSA-N 402.458 3.612 0 50 HHAA Cc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(N2CCCCC2)n1 64799783 RAAUHGWICSHPJF-UHFFFAOYSA-N 417.916 3.530 0 50 HHAA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3cccc(F)c3)C2)c(OC)c1 170612669 ORXUFRKTIOQYKO-IBGZPJMESA-N 414.433 3.776 0 50 HHAA O=C(Cc1ccc(F)cc1)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 225444835 AKVFHQSBWZSJAM-OAHLLOKOSA-N 420.200 3.999 0 50 HHAA COC1(c2nc(-c3ccccn3)no2)CCN(Cc2cccc(OC(F)F)c2)CC1 225839572 CCCQKFGHARTJLY-UHFFFAOYSA-N 416.428 3.871 0 50 HHAA CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(Cl)cn2)c2ccccc2)c1 464378205 WARAFHOLJGXMME-LJQANCHMSA-N 400.887 3.658 0 50 HHAA O=C(Nc1ccc(CO)c(Cl)c1)[C@@H]1CCN(c2cccc(Br)c2)C1=O 470971190 YHISXOWCDXIHRH-HNNXBMFYSA-N 423.694 3.586 0 50 HHAA C[C@H](c1ccc2c(c1)OCCO2)N(C)Cc1ccc(OCC(=O)N2CCCC2)cc1 952984116 OGKLNWLZIKLVJJ-GOSISDBHSA-N 410.514 3.652 0 50 HHAA Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc(-n4ccnc4O)c3)n2)cc1F 1466022371 WJFKTIIGPYRYCG-CYBMUJFWSA-N 407.405 3.566 0 50 HHAA O=C(c1ccc(CSc2ncccn2)o1)N(Cc1ccccn1)C[C@@H]1CCCO1 1506414476 ZSSJFGYKFVPGES-KRWDZBQOSA-N 410.499 3.578 0 50 HHAA OC[C@@H]1OCCN(Cc2cnn(-c3ccccc3F)c2)[C@H]1c1ccccc1Cl 1875250390 UTHHTJYXTLKERX-SFTDATJTSA-N 401.869 3.599 0 50 HHAA Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)OCC(=O)c2ccc3c(c2)CCO3)c1 2325870675 JZPUDXNIJQYFGF-OAQYLSRUSA-N 421.493 3.659 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 983242 NFKYUMPIWYMKSC-LLVKDONJSA-N 420.840 3.973 0 50 HHAA CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(c1ccc(OC(F)(F)Cl)cc1)C2=O 1080421 WQVSXDXMZGPZKI-QGZVFWFLSA-N 419.815 3.852 0 50 HHAA CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(c1ccc(OC(F)(F)F)cc1)C2=O 1080423 SJLBRIQQSJBMLP-QGZVFWFLSA-N 403.360 3.582 0 50 HHAA COc1cc(C)ccc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 1136941 AURPXWHQQXMZDZ-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1179154 YXAQNHMMIZXKBG-FQEVSTJZSA-N 400.434 3.541 0 50 HHAA Cc1cc(C)c(S(=O)(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 1230292 HQCULYPPSQHBBR-UHFFFAOYSA-N 416.524 3.905 0 50 HHAA CCOc1cc(CN2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)ccc1OC 11782522 HRNJOSHRILPRRL-RUZDIDTESA-N 420.509 3.965 0 50 HHAA O=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)C1(c2ccc(Cl)cc2)CC1 12040409 KWBLYUBILPEWIS-LJQANCHMSA-N 405.885 3.949 0 50 HHAA O=C(NC1c2ccccc2-c2ccccc21)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 12191281 PZWKTDBTIQMIOO-HSZRJFAPSA-N 412.445 3.989 0 50 HHAA COc1ccc(N[C@@H]2CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)cc1OC 12208190 HUOUZBWVVYUVTD-LJQANCHMSA-N 401.551 3.515 0 50 HHAA COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 12404494 JIWYUNMALRQLSW-UHFFFAOYSA-N 403.276 3.946 0 50 HHAA CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2F)C1=O 12412414 JHUMNTNAINLZDI-BOPFTXTBSA-N 400.431 3.899 0 50 HHAA COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)o1 12448293 CXMVWGHACSHQAU-KRWDZBQOSA-N 407.426 3.719 0 50 HHAA CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(Cc1nc3ccccc3[nH]1)C2 14745034 SBJJHJNZWJKWGF-UHFFFAOYSA-N 420.561 3.646 0 50 HHAA O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)N1CCCCC1 16652358 LZGIRQQSPLIIPH-UHFFFAOYSA-N 419.374 3.548 0 50 HHAA COc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3F)CC2)c(C(C)(C)C)c1 19809650 GEEIUTXSSZILIP-SFHVURJKSA-N 416.537 3.694 0 50 HHAA C[C@H](C(=O)Nc1cc(F)ccc1F)n1ccc(C(=O)Nc2cc(F)ccc2F)n1 20617004 OMFIQBWKPPEUJP-SNVBAGLBSA-N 406.339 3.892 0 50 HHAA Cn1ccnc1CN1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 23580969 OKCHCABRTYTROG-UHFFFAOYSA-N 408.468 3.748 0 50 HHAA COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2 100001979 MCMSJVMUSBZUCN-YYDJUVGSSA-N 405.498 3.585 0 50 HHAA in-man CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1=O 102449884 FKUCFPPEVXYLKB-OSPHWJPCSA-N 413.562 3.754 0 50 HHAA C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 248085031 KCNHDZORAHRFTJ-UZLBHIALSA-N 414.527 3.503 0 50 HHAA CCCCOc1ccc(-c2nnc(CN3CCC[C@H]3[C@H]3CCCN3C(C)=O)o2)cc1 252477544 QLZSJWNOJVEJFI-LEWJYISDSA-N 412.534 3.891 0 50 HHAA O=S(=O)(c1cnn(CC(F)(F)F)c1)N1Cc2ccccc2[C@H](c2ccccc2)C1 475541802 SECKQQCPRPXTTF-IBGZPJMESA-N 421.444 3.782 0 50 HHAA CCCC[C@@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1cccnc1 670456878 XMTBXQCVSGXGFJ-OAHLLOKOSA-N 401.816 3.963 0 50 HHAA COc1ccc([C@@H](CC(=O)NCCCc2ccco2)c2cc3c(cc2O)OCO3)cc1 824654633 OQCDNGPDVKAWCC-LJQANCHMSA-N 423.465 3.994 0 50 HHAA biogenic CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(C(=O)NCC[C@@H]2CC[C@H](N)C2)C1 952894608 SEKCCJCGCVEZIQ-LPHOPBHVSA-N 413.541 3.623 0 50 HHAA C[C@@H](NC(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(NC(N)=O)cc1 1219327735 VWIAKCFCXQQHMD-CYBMUJFWSA-N 422.464 3.873 0 50 HHAA Cc1cc(C[C@@H]2CN(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C[C@H]2O)n[nH]1 1704301110 KDJIOPCHZDCKMM-RDTXWAMCSA-N 422.476 3.896 0 50 HHAA C[C@@H]1CC[C@@H](NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)C(=O)N1 2325823508 VOLPZCBMUILPRL-ZUOKHONESA-N 411.452 3.829 0 50 HHAA COc1cccc(-c2nc(Cn3sc4cccc(Br)c4c3=O)no2)c1 2325867237 PGAPSDSNLAFEKD-UHFFFAOYSA-N 418.272 3.932 0 50 HHAA O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(I)cc1 623622 ICZVSUMEKOYLMV-CQSZACIVSA-N 424.263 3.733 0 50 HHAA CC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 1137964 CSIJITYWJNKLBG-UHFFFAOYSA-N 422.506 3.719 0 50 HHAA COc1ccc(CCN2C(=O)CS[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 4131062 AFIMSVCXJLTPAW-OAQYLSRUSA-N 403.500 3.538 0 50 HHAA CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2ccccc2)cc1 4819927 JIMNTVOJHNYGRD-UHFFFAOYSA-N 416.543 3.730 0 50 HHAA COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c(OC)c1 4996211 MAIHAPBSSQWVEP-OAHLLOKOSA-N 418.515 3.519 0 50 HHAA Cc1c[nH]c(CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)n1 11935206 HIRXOQSTLGSXER-UHFFFAOYSA-N 418.541 3.734 0 50 HHAA Cc1cc(C)nc(CCNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)n1 11999476 QJJURLODNASCGA-UHFFFAOYSA-N 406.486 3.512 0 50 HHAA Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)c2sc(C)nc2C)C3)n1 12130098 XDBACASWDDYIPQ-AWEZNQCLSA-N 412.490 3.706 0 50 HHAA COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CC(C)C)[C@@]31C(=O)N(C)c2ccccc21 12382085 LURAMNMOTAOZHS-RUZDIDTESA-N 417.509 3.827 0 50 HHAA biogenic CC1=C(C(=O)NCc2nc(NCc3ccccc3F)c3cccc(C)c3n2)OCCO1 14952208 SUBDRCLGHVIXRZ-UHFFFAOYSA-N 422.460 3.584 0 50 HHAA CCc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 20998002 KHIDEZSFUASJQW-JOCHJYFZSA-N 421.545 3.619 0 50 HHAA Cc1ccc(C)c(CN2CCC(N3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)c1 82107347 KTRGUMHAZGAPGZ-QFIPXVFZSA-N 420.601 3.691 0 50 HHAA Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccc5ccccc5n4)n3n2)cc1C 169781138 ONXFURFOKCQCBY-UHFFFAOYSA-N 408.465 3.886 0 50 HHAA CCOC(=O)c1csc(CCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)n1 170605282 FYUNWKHRRLPHIK-AWEZNQCLSA-N 404.532 3.744 0 50 HHAA CC(C)NC(=O)Nc1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c1 225610355 RTERGCHLUIHUQF-QGZVFWFLSA-N 412.509 3.702 0 50 HHAA COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(O)cc2)cc1 261493739 IHSAMWQVDNZJOJ-UHFFFAOYSA-N 413.495 3.801 0 50 HHAA O=C(NCc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 263584968 CMDLPOPJXJYAMB-IHFIDZABSA-N 409.530 3.520 0 50 HHAA biogenic Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 437543344 DBJWARAPGBRTCZ-INIZCTEOSA-N 402.401 3.792 0 50 HHAA Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)C2)cc1 475530249 NRPAYGRLCRCQOJ-QAWFAAFXSA-N 419.569 3.749 0 50 HHAA CCCO[C@H]1CCCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)C1 952968286 JCKUOZRKTQUDAN-IBGZPJMESA-N 407.576 3.710 0 50 HHAA Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc3c(C(F)F)nn(C)c3s2)n1 1321180343 VJYRWJQTRVWXPW-GFCCVEGCSA-N 405.474 3.993 0 50 HHAA COc1cc(-c2nc(-c3cnn(C(C)C)c3)[nH]c2-c2oc(C)cc(=O)c2O)ccc1O 1857526576 MVKUOPSVOODWPY-UHFFFAOYSA-N 422.441 3.870 0 50 HHAA Cc1cc(-c2nc(-c3cnn(CCO)c3)nn2[C@H](C)C2CCOCC2)ccc1Cl 1875349350 UMMNLKGYPWLTIU-OAHLLOKOSA-N 415.925 3.750 0 50 HHAA CC(C)(C)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1 622233 HKHDUMCAZKIUBZ-UHFFFAOYSA-N 401.557 3.760 0 50 HHAA COc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 754418 MZFXGYGCCGKTFS-OAQYLSRUSA-N 400.434 3.541 0 50 HHAA Cc1c(CNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)cnn1C 884623 GLOZPZJWWGAWLC-DOTOQJQBSA-N 418.423 3.515 0 50 HHAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 1113768 HDXULONANHJJCC-JTQLQIEISA-N 410.904 3.759 0 50 HHAA O=C(CSc1nnnn1-c1ccccc1)NC(c1ccccc1)c1ccccc1 1144658 BOKLTNRWJHIJQT-UHFFFAOYSA-N 401.495 3.660 0 50 HHAA O=C(NCCN1C(=O)c2ccccc2[C@@]1(O)c1ccc(Cl)cc1)Nc1ccccc1 2307363 CVAQXRFPUJBQOW-QHCPKHFHSA-N 421.884 3.811 0 50 HHAA COc1ccc(CCNC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1OC 2743985 JFVCFVXDZSIPJB-UHFFFAOYSA-N 416.428 3.534 0 50 HHAA CCOC(=O)c1ccc(N2C(=N)S/C(=C\c3cc4ccccc4[nH]c3=O)C2=O)cc1 2969790 AOFSDRMEZFTYBR-TVZVIMQTSA-N 419.462 3.760 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCc2ccccc2)c2ccccc2)cc1 3464443 YPTONOCIAPTGJE-QFIPXVFZSA-N 408.523 3.721 0 50 HHAA Cc1ccc(C)c(OCn2ccc(C(=O)Nc3ccc(Br)cn3)n2)c1 6787989 BLHIEPQUAODGDA-UHFFFAOYSA-N 401.264 3.946 0 50 HHAA O=C(CCCn1cncn1)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 11873869 CCKZMARVMQPKHF-QFIPXVFZSA-N 424.593 3.527 0 50 HHAA Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3cc(Br)ccc3O)cc2n1 12845987 CJFXOYUSANSGJR-UHFFFAOYSA-N 415.169 3.777 0 50 HHAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(C(=O)O)cc2)cc1 15768439 QEBPLDMXOBQNCL-RCCKNPSSSA-N 416.433 3.803 0 50 HHAA biogenic COc1ccc(C(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1OC 18227582 QRSHTMJDPNYHRR-UHFFFAOYSA-N 411.889 3.868 0 50 HHAA COc1ccc(OC)c([C@H]2CCN(C(=O)CCc3nnc(-c4ccsc4)o3)C2)c1 19145454 QRNNNCYJMHHBQD-AWEZNQCLSA-N 413.499 3.764 0 50 HHAA C=Cc1ccc(C(=O)N2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1 23145396 OJLVLJBLGNNZAE-HSZRJFAPSA-N 423.538 3.754 0 50 HHAA O=C(CCN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1)NC1CC1 67743063 XVONTZMVQWXXDE-UHFFFAOYSA-N 401.510 3.882 0 50 HHAA COCCn1c(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cc2cc(Cl)ccc21 170613457 IRHKNBAMMUEENP-LPHOPBHVSA-N 403.954 3.935 0 50 HHAA CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 239235801 WTBODSOUBRHGAW-CQAGSAPUSA-N 417.505 3.757 0 50 HHAA O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)N1CCN(c2cccc(Cl)c2)CC1 252491273 LKNAWBGWTQIFMG-UHFFFAOYSA-N 400.845 3.618 0 50 HHAA CCOc1cc(CNc2cccc(OCC(F)F)n2)ccc1O[C@@H](C)C(=O)N(C)C 253417005 AQFWIWNFCGCMHO-AWEZNQCLSA-N 423.460 3.592 0 50 HHAA CCN(Cc1ccccn1)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426401695 GRZSZBAOBIMFFN-UHFFFAOYSA-N 410.543 3.969 0 50 HHAA Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc4c(c3)N(C)C(=O)[C@H](C)O4)c2)n1 952985683 CRBQYUHWOIAMCG-INIZCTEOSA-N 404.470 3.544 0 50 HHAA Cc1n[nH]c(C)c1Cc1nc(-c2cccc(N3CCCC3)n2)nn1[C@H](C)C(F)(F)F 1875348851 DTYGPZAKZVCBAP-CQSZACIVSA-N 419.455 3.994 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2Cc3cc(OC)ccc3C[C@@H]2c2ccccc2)CC1 1875369351 JPJKYLSRCRRKFF-HSZRJFAPSA-N 404.510 3.746 0 50 HHAA CCN(c1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1)S(C)(=O)=O 2325704992 UPNNJVBTVOECQV-UHFFFAOYSA-N 408.936 3.810 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)c(F)cc1Cl 1063760 UBNIAYYISQIAAH-UHFFFAOYSA-N 400.834 3.655 0 50 HHAA O=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)N1 1166164 GGNFYUZSSJDACD-RIYZIHGNSA-N 407.651 3.862 0 50 HHAA O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 1217577 HRSNSYSPJXYPNC-FMIVXFBMSA-N 420.450 3.676 0 50 HHAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OC)c(OC)c1OC 9087358 PEHRXKGETOYNJB-IBGZPJMESA-N 423.469 3.914 0 50 HHAA O=C(NCCCc1ccncc1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 11786794 HJEAGNLERFFGBE-UHFFFAOYSA-N 414.469 3.557 0 50 HHAA O=C(NCCn1cccn1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 11818951 MZQOHTNVQCPKRX-UHFFFAOYSA-N 405.405 3.708 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1 11874580 XJRHAHBVEHAJEV-FQEVSTJZSA-N 418.497 3.510 0 50 HHAA CCn1nc(CC(C)C)cc1C(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1 12314969 VUTCKPSHDYQOAX-QFIPXVFZSA-N 408.590 3.805 0 50 HHAA COc1ccccc1CC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 13595812 AVNOMTFDJGKWLB-GOSISDBHSA-N 412.505 3.712 0 50 HHAA COc1ccccc1[C@@H]1CN(CC(=O)N[C@@H]2CCOC(C)(C)C2)Cc2ccccc2O1 19111429 RXYARSGZTQJRLT-XXBNENTESA-N 424.541 3.705 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 19956649 YKAABNBEPBHASU-FQEVSTJZSA-N 423.557 3.546 0 50 HHAA Cc1ccc(CN2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@H]2CCO)cc1 36385840 NVXKYLORNKHLOC-RUZDIDTESA-N 404.558 3.558 0 50 HHAA Cc1nc2cc(OCc3nc(C(=O)N(C)C[C@H]4CCCCO4)co3)ccc2s1 67447280 JDIHNSVAJYGXSA-OAHLLOKOSA-N 401.488 3.813 0 50 HHAA Cc1nn2c(N3CCN(c4ccccn4)CC3)c3c(nc2c1-c1ccccc1)CCC3 101213085 WOMKVIOQZQNQHN-UHFFFAOYSA-N 410.525 3.915 0 50 HHAA C[Si](C)(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169815853 UTGWYCRZVYLATC-UHFFFAOYSA-N 408.693 3.609 0 50 HHAA CC(C)(O)[C@@H]1CCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 229979033 PUNHDKQWQBPEAM-QAPCUYQASA-N 403.573 3.723 0 50 HHAA O=S(=O)(Nc1cnc2c(Br)cccn12)c1ccc(C(F)F)cc1 253428828 OJUQINIRYYQTOA-UHFFFAOYSA-N 402.220 3.835 0 50 HHAA CC(C)c1ccc(C2(C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)CCCC2)cc1 460448652 LYPGLYKCLYNYAK-HXUWFJFHSA-N 408.546 3.667 0 50 HHAA O=S(=O)(N1CCC(CNCc2ccc(Cl)c3cccnc23)CC1)C(F)(F)F 760674571 HTKVIKBCVMPABO-UHFFFAOYSA-N 421.872 3.539 0 50 HHAA Cc1cc(CN2CCC(C)CC2)c(C)c(CN2C[C@H](Cc3cc(C)no3)[C@@H](O)C2)c1 1616076780 MBSKLPGLJLNMCI-ZCYQVOJMSA-N 411.590 3.867 0 50 HHAA O=C1C[C@H]2N(Cc3ccccc3OCc3ccc(Cl)cc3)CC[C@]23OCCCN13 1857731729 YSVMINNRBCBFEB-GGAORHGYSA-N 412.917 3.842 0 50 HHAA CCn1nc(C)c(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)s2)c1C 2325841187 HPZHKZMRKQVXAU-UHFFFAOYSA-N 405.501 3.747 0 50 HHAA O=C1CC[C@@H](c2ccc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)cc2)N1 2325860597 MVDCSFLKAKFXSH-DEOSSOPVSA-N 413.521 3.749 0 50 HHAA COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(I)cc1 1067551 FDENFTJGUDMNDY-UHFFFAOYSA-N 417.268 3.717 0 50 HHAA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1 1180647 JGEXUYRJCHGZIC-UHFFFAOYSA-N 421.522 3.812 0 50 HHAA COc1ccc(CCN2C(=O)CS[C@H]2c2ccc(OC)c(OC)c2)cc1OC 4131061 AFIMSVCXJLTPAW-NRFANRHFSA-N 403.500 3.538 0 50 HHAA O=C1c2cccc3cccc(c23)C(=O)N1CCc1n[nH]c(=S)n1-c1ccccc1 6400002 AYAUBWSUZRFVQO-UHFFFAOYSA-N 400.463 3.922 0 50 HHAA O=c1c2cnc3nc(-c4ccccc4)nn3c2ccn1CCc1c[nH]c2ccccc12 9048858 ULGZOKPLDBCYLN-UHFFFAOYSA-N 406.449 3.830 0 50 HHAA O=C(CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)N[C@H](c1ccccn1)C(F)(F)F 11788627 YXDYLLUIWFCAMY-UXHICEINSA-N 423.410 3.612 0 50 HHAA O=C1CCN(C(=O)c2cccc(-c3cccc(F)c3)c2)CCN1Cc1cccnc1 12149366 IEAJHLNXJATOOP-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA COc1ccc(-n2cc(CN3CCCN(C(C)=O)CC3)c(-c3cccc(F)c3)n2)cc1 12594963 ZDHWMCROTWLCOI-UHFFFAOYSA-N 422.504 3.741 0 50 HHAA COc1ccc(C[C@]2(CCC(=O)N(C)[C@@H](C)c3cccs3)CCC(=O)N2)cc1 15006513 MSBNWIRHRKSIKA-KSFYIVLOSA-N 400.544 3.948 0 50 HHAA CCCCCc1c(O)nc(SCCN(CC)CC)n(C(=O)c2ccccc2)c1=O 19789089 ZMAZFFOIWHFNDE-UHFFFAOYSA-N 417.575 3.804 0 50 HHAA FC(F)Oc1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19911100 RMOBWYKOSNFICL-UHFFFAOYSA-N 421.469 3.531 0 50 HHAA COc1ccc(-c2csc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 19920567 GDJLUHHMDSITNZ-UHFFFAOYSA-N 409.511 3.870 0 50 HHAA aggregator COc1ccccc1/C=C/[C@@H]1C[C@H]2CN(c3ccccc3OC)C(=O)[C@]23CCCN13 20782701 UWZYROWVKLWJQI-PAXLSAHNSA-N 404.510 3.987 0 50 HHAA Cc1cnc(CN2CC3(CCC2=O)CCN(c2ccnc4ccccc24)CC3)cn1 95378847 KOVHTIKMDIJZMU-UHFFFAOYSA-N 401.514 3.742 0 50 HHAA CN(Cc1cccc(Cl)c1)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 170607842 QEKQWMLHHQDTBA-PMACEKPBSA-N 423.900 3.890 0 50 HHAA O=C(Nc1ccccc1F)c1ccsc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 225770411 FBJASIMKFTZFIF-KUDNYVPYSA-N 400.431 3.601 0 50 HHAA C[C@@H](CCOC(=O)[C@@H]1COc2ccccc21)CCOC(=O)[C@H]1COc2ccccc21 252678566 FKGHMZAFYIHHSQ-PDFPEKILSA-N 410.466 3.842 0 50 HHAA O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CC[C@@H](Oc2ccncc2)C1 434276837 WMDRAUYSTXMXGO-LJQANCHMSA-N 408.433 3.771 0 50 HHAA Cc1cc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)ccc1NC(=O)C(C)(C)C 827654159 DXCJWENLZXAATO-OAHLLOKOSA-N 406.486 3.889 0 50 HHAA CN(Cc1ccc(OCC(=O)N2CCCCC2)cc1)Cc1nc2ccc(F)cc2[nH]1 952988279 PMYWOVZVXHFKJJ-UHFFFAOYSA-N 410.493 3.725 0 50 HHAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Cl)ccc1OCc1ccccc1 1006750 BQJYYDDCDXEMSA-SFHVURJKSA-N 402.903 3.885 0 50 HHAA O=C1N=C(O)N(c2ccccc2F)C(=O)[C@]1(CCc1ccncc1)Cc1cccs1 1131067 UAVMQYLJECCFPH-JOCHJYFZSA-N 423.469 3.931 0 50 HHAA COc1ccc([C@@H](CC(=O)OCC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1 3623343 PZRMKELFRMKDNC-JOCHJYFZSA-N 417.461 3.983 0 50 HHAA Cc1nc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)sc1C 4814878 MOLKUYCINHIPGA-LBPRGKRZSA-N 403.533 3.759 0 50 HHAA O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697985 IQEOGHHEYCVRNG-UHFFFAOYSA-N 409.881 3.623 0 50 HHAA CCN1C[C@H](CNC(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)CC1=O 11842729 UJTIBPIEKWURMM-HNNXBMFYSA-N 411.889 3.670 0 50 HHAA COc1cccc(CCC(=O)NC[C@@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)c1 12200239 MLJNBYOYDMJVQX-QFIPXVFZSA-N 417.509 3.822 0 50 HHAA COc1ccc(-n2c(CNC(=O)C3CCC3)nnc2SCc2ccccc2)cc1 12245690 JBLCWWHSLCIILM-UHFFFAOYSA-N 408.527 3.985 0 50 HHAA CN(Cc1ccc2ccccc2n1)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12306784 BSERXEVBZNVNKJ-LJQANCHMSA-N 405.473 3.771 0 50 HHAA COC[C@H]1CCCCN1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 12314231 DMEUTGORUMSANO-QGZVFWFLSA-N 404.580 3.803 0 50 HHAA CC[C@@H](C)C(=O)C(=O)NC[C@@H]1Cc2cc(-c3ccnc(SC)n3)cc(Cl)c2O1 14991880 IXCALMQEKKMWMY-RISCZKNCSA-N 419.934 3.554 0 50 HHAA Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1CCc1ccccc1 18116424 CWLBYWBQCRLXAZ-UHFFFAOYSA-N 402.479 3.641 0 50 HHAA Cc1cnc(OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(I)c1 39961296 CKROMISXVJDZFA-LBPRGKRZSA-N 418.275 3.630 0 50 HHAA in-vitro CCN(Cc1nccn1C)C(=O)c1cc(-c2cncnc2)nc2c(C)cc(C)cc12 63869525 WZGDFJRGONHBMR-UHFFFAOYSA-N 400.486 3.704 0 50 HHAA Cc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)c(Br)c1 100662848 MIMBVABARMBXJL-UHFFFAOYSA-N 413.271 3.977 0 50 HHAA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4Cl)N4CCCN4[C@H]3C2=O)cc1 136731955 PAPWGOLEQHVVPQ-IPMKNSEASA-N 416.308 3.837 0 50 HHAA Cn1c(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)nc2cc(Cl)ccc21 491448961 VYPWERCXRZHFPV-UHFFFAOYSA-N 401.869 3.730 0 50 HHAA COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)CC(=O)NCc1cccs1 493902360 CRVGEZPWUCCBMG-UHFFFAOYSA-N 417.918 3.589 0 50 HHAA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(OCc2ccccc2F)cc1 828247872 DZHARWCZFSIYPZ-QGZVFWFLSA-N 410.489 3.926 0 50 HHAA O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)[C@H](O)CC1CCCCC1 1875262470 WFWHLGYOAWDGDD-FCHUYYIVSA-N 407.514 4.000 0 50 HHAA Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1 1875350227 FQKZCGOEEUMYCC-UHFFFAOYSA-N 405.845 3.709 0 50 HHAA COc1ccc(-c2cc(C(=O)NCc3cn(C)nc3C)c3ccccc3n2)cc1OC 648595 HJIHZTFAAJCXKH-UHFFFAOYSA-N 416.481 3.891 0 50 HHAA CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 841206 CKANPXSAQHASGI-UHFFFAOYSA-N 411.302 3.715 0 50 HHAA CC(C)OC(=O)c1cc(NC(=S)NCc2ccco2)cc(C(=O)OC(C)C)c1 1121662 RQQNBSAPDGPQHK-UHFFFAOYSA-N 404.488 3.897 0 50 HHAA CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=S 1182405 ADNCJFZRXGOLCZ-KRWDZBQOSA-N 419.909 3.826 0 50 HHAA COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c1OC 1189579 LNFPUGRRLGYVNP-QGZVFWFLSA-N 417.918 3.789 0 50 HHAA COC(=O)c1ccccc1NC(=O)c1cc(I)ccc1Cl 1205078 SYASUDNTKWWARI-UHFFFAOYSA-N 415.614 3.984 0 50 HHAA O=C1c2cccc3cccc(c23)C(=O)N1CCCSc1nnnn1-c1ccccc1 4247994 HEXNYDXJMUFWLU-UHFFFAOYSA-N 415.478 3.594 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(F)c(Cl)c1 4820776 VIPSJLXYDUPWFW-UHFFFAOYSA-N 409.241 3.676 0 50 HHAA Cc1cc(O)c(C2=NCCS[C@H](c3cc(Br)ccc3O)C2)c(=O)o1 5441420 WREQRAUXIXVJPV-HNNXBMFYSA-N 410.289 3.789 0 50 HHAA O=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)NCCc1ccc(Cl)cc1 8588380 JLPLMGUNNMGEIB-UHFFFAOYSA-N 411.864 3.796 0 50 HHAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(-c3ccco3)c1)CC2 11784283 AMRHSHCXFPAKSN-NRFANRHFSA-N 421.545 3.820 0 50 HHAA CCOc1ccc2nc(N3CCC[C@H]3C(=O)N(C)Cc3ccncc3C)nc(C)c2c1 11790776 HVEBXWSZKXTNJI-QFIPXVFZSA-N 419.529 3.668 0 50 HHAA CC[C@H]1CCCCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 11870859 JQURDRJCRVGWNY-CYFREDJKSA-N 414.521 3.946 0 50 HHAA COc1ccc(C(=O)NC[C@H]2Cc3cccc(-c4ccncc4)c3O2)c(OC)c1OC 11979266 OWCNEXSWCDKHFA-QGZVFWFLSA-N 420.465 3.508 0 50 HHAA COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@H](O)CN(C)C(C)C 12205508 CWFHFTDBRIDEGQ-OAQYLSRUSA-N 404.526 3.512 0 50 HHAA CN(Cc1ccnc2ccccc12)C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 12298690 HTGITMOQGUNMAV-UHFFFAOYSA-N 416.437 3.605 0 50 HHAA CCn1ccnc1CN(C)Cc1cccc(OC[C@@H](O)CN(C)C2CCCCC2)c1 12317225 FUVAZCXFLTZYNF-QFIPXVFZSA-N 414.594 3.539 0 50 HHAA C[C@@H](Sc1nc(O)c(-c2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc(Cl)c1 12380863 SJOGSWGZYKLLLR-LLVKDONJSA-N 401.875 3.915 0 50 HHAA Cc1ccc(C(=O)Nc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)cnn2-c2ccccc2)cc1 13893890 HJPKZEVFFLHINQ-HDICACEKSA-N 418.497 3.682 0 50 HHAA O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 14969431 MVWGVZCCNUWZDS-JOCHJYFZSA-N 402.498 3.847 0 50 HHAA CC(=O)N1CCCN(c2nc(CN(C)[C@H](C)c3cccs3)nc3ccccc23)CC1 14987567 SYHJJSZMGAIFOV-QGZVFWFLSA-N 423.586 3.943 0 50 HHAA CCCS(=O)(=O)NCc1nc(NCc2ccccc2F)c2cccc(C)c2n1 14997755 CPPMPWZEORJUOR-UHFFFAOYSA-N 402.495 3.519 0 50 HHAA COc1ccccc1/C=c1/sc2nc3c(Br)c(C)c(C)cc3n2c1=O 15723244 NVHDTYHBIGMEEU-OQLLNIDSSA-N 415.312 3.845 0 50 HHAA CC(C)Cc1nnc(NC(=O)CSc2nc(O)cc(-c3ccccc3)n2)s1 18058554 JJBPTHUCFXSISX-UHFFFAOYSA-N 401.517 3.630 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(C3CCN(Cc4ccccn4)CC3)C2)c(OC)c1 19112657 FRYSEKCYGABFJU-IBGZPJMESA-N 423.557 3.658 0 50 HHAA Cc1cnc(C(=O)N(Cc2cccnc2)C[C@@H]2CCCN(C3CCCCC3)C2)cn1 20572555 YJSORYBZJBHPMQ-OAQYLSRUSA-N 407.562 3.867 0 50 HHAA Cc1ccc(C2(O)CCN(c3nc(-c4cccc(C)c4)ccc3C(=O)O)CC2)nc1 67840083 LTSWOZWLEFRGDZ-UHFFFAOYSA-N 403.482 3.947 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCCN1Cc1ccc2nsnc2c1 200553135 QATMBPKLQVITRG-OAQYLSRUSA-N 418.526 3.870 0 50 HHAA CCSc1ccc(C(=O)NC[C@H](CO)Cc2ccccc2Br)cn1 225444334 TZGKBWVPZWOWID-CYBMUJFWSA-N 409.349 3.537 0 50 HHAA O=C(Cc1cc(-c2ccccc2)on1)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766736787 FOVLKFSFGMMCSI-HNNXBMFYSA-N 413.836 3.598 0 50 HHAA CN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2(C)C)cc1 1465058439 ODISJVGYYIUTQA-LJQANCHMSA-N 401.532 3.737 0 50 HHAA Cc1c(NC(=O)CCCSc2nc3ccccc3[nH]2)cccc1-n1cnnc1O 1875260556 LVWHTVBSOHGDKU-UHFFFAOYSA-N 408.487 3.669 0 50 HHAA Cc1oc2cc(OC[C@@H]3C[N@@]3Cc3cnn(C)c3)ccc2c(=O)c1-c1ccccc1 1875382283 XCXSPRNYVJWKGR-UZTOHYMASA-N 401.466 3.765 0 50 HHAA Fc1ccc2c(c1)O[C@H](COc1ccc(-c3cccnc3N3CCOCC3)cc1)CN2 1875387345 CTZRPMGSVSVPCM-FQEVSTJZSA-N 421.472 3.976 0 50 HHAA CC(C)(C)c1nocc1CNS(=O)(=O)c1ccc(Cl)cc1Br 2325825823 DJAPFDLVNDQXLF-UHFFFAOYSA-N 407.717 3.867 0 50 HHAA COc1cc(C(=O)O[C@@H]2C[C@H](c3ccccc3)CCC2=O)cc(NC(C)=O)c1OC 2325901453 GWIKZMHFXUBIFU-OXQOHEQNSA-N 411.454 3.724 0 50 HHAA O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1CC(=O)N(C1CCCCC1)C1CCCCC1 892409 HVKBCQRKIKYMBQ-RBUKOAKNSA-N 406.954 3.998 0 50 HHAA CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)c(F)c2)ccc1O 1159121 WXUFGEJVBUHLFX-SFHVURJKSA-N 419.453 3.501 0 50 HHAA COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)OC(C)C)Cc3c([nH]c4ccccc34)[C@@H]21 1322232 STJVGZLEYYPBJO-DYESRHJHSA-N 420.465 3.607 0 50 HHAA biogenic CCOC(=O)c1ccc(NC(=O)CSc2nc(N)c3c(C)c(C)sc3n2)cc1 2200375 DWBJVXXIZPGRMZ-UHFFFAOYSA-N 416.528 3.798 0 50 HHAA COc1ccccc1[C@H]1SCCN1S(=O)(=O)c1ccc(Br)cc1 2472851 BLFMHJVODPULAV-MRXNPFEDSA-N 414.346 3.894 0 50 HHAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCC(=O)c1ccc(F)cc1 8431202 VIHGZEZYLSKMPG-UHFFFAOYSA-N 419.408 3.781 0 50 HHAA COc1ccc(NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccco2)cc1 9075513 FKOPYIUYGBWKDI-QGOAFFKASA-N 422.437 3.715 0 50 HHAA Cc1ccc2c(C)nc(N3CCC(C(=O)NCCc4cccc(F)c4)CC3)nc2c1 12040355 DIDCROTYWIXSBC-UHFFFAOYSA-N 406.505 3.961 0 50 HHAA COc1cc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc(OC)c1O 12092953 VNQPVTCILDKDOB-QFIPXVFZSA-N 405.922 3.880 0 50 HHAA CC[C@@H](COC)NC(=O)c1ccc(OC2CCN(C3CCCC3)CC2)c(OC)c1 12756553 OXUKFFBCQVIXHI-SFHVURJKSA-N 404.551 3.636 0 50 HHAA O=c1c2cnc3nc(-c4ccccc4)nn3c2ccn1Nc1nc2ccccc2s1 13688653 PGHXXGNRMZSBIX-UHFFFAOYSA-N 411.450 3.591 0 50 HHAA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 20117761 WWZRPVKCHUPDIO-NRFANRHFSA-N 419.481 3.851 0 50 HHAA OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CCN1Cc1ccsc1 22919386 QCDPANCERHKOSZ-FQEVSTJZSA-N 404.963 3.746 0 50 HHAA Oc1ccc(N2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2)cc1 55037108 FYSKNNWGMKSCRK-UHFFFAOYSA-N 404.392 3.783 0 50 HHAA CCS(=O)(=O)c1ncc(CN(C)Cc2ccc(C)cc2)n1CCc1ccccc1 55269964 LOHWZCDLSQEGSK-UHFFFAOYSA-N 411.571 3.860 0 50 HHAA O=C(Cc1c(F)cccc1Cl)N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1 169754270 RUXHUYHYKQKYEJ-LBPRGKRZSA-N 404.898 3.868 0 50 HHAA COc1ccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)cc1 169780284 KSFPSJJAVWZKRY-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)C2)cc1Cl 229647436 RGGKWIADWLHYHT-FCIKYMEBSA-N 405.926 3.910 0 50 HHAA CCOc1nc2cc(C(=O)OCC[C@H]3CCCCN3C(=O)c3cccn3C)ccc2[nH]1 241884818 SYBIOHZOUVQMSL-QGZVFWFLSA-N 424.501 3.542 0 50 HHAA CCOc1cc(CNc2cc(C)n[nH]c2=O)ccc1OCCOc1ccc(F)cc1 252496986 PXCBJTBANDAVHQ-UHFFFAOYSA-N 413.449 3.686 0 50 HHAA COc1ccccc1Cc1nnc(SC[C@@H]2CCN(C(=O)c3ccccc3)C2)o1 253398439 VTOVKEXTTHKCJJ-MRXNPFEDSA-N 409.511 3.923 0 50 HHAA COC(=O)c1cn(CC2(Cc3nc4ccccc4[nH]3)CCCCC2)cc2c(=O)[nH]nc1-2 263587004 AZPFHAYJOPZSCN-UHFFFAOYSA-N 419.485 3.532 0 50 HHAA COc1cccc(-c2cc3n(n2)[C@@H](NCc2cccc(C(F)(F)F)c2)CNC3=O)c1 263619398 YNQLTOJAOZZXMG-LJQANCHMSA-N 416.403 3.609 0 50 HHAA CCCNC(=O)c1ccc(NC(=O)Nc2ccc3ccc(=O)n(C)c3c2)cc1Cl 488393623 SQHFDZKTRJQIMC-UHFFFAOYSA-N 412.877 3.976 0 50 HHAA C[C@H](C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1cn(C)c2ccccc12 772838288 AEMNCMJBJOWZHN-ORAYPTAESA-N 418.415 3.940 0 50 HHAA COc1ccc(/C=C/CN2CCC[C@@H](CNC(=O)c3cc(C(F)F)[nH]n3)C2)cc1 824646611 INGKMDNSDKHFBG-ICTCPBKTSA-N 404.461 3.511 0 50 HHAA O=C(NC[C@H]1C[C@H]2C=C[C@H]1C21CC1)c1cc(-c2ccc(F)cc2)cc(-n2cnnn2)c1 826596049 KZSDMONQRFIEJT-WOIUINJBSA-N 415.472 3.801 0 50 HHAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)CC[C@H]1CCCCO1 952973412 CQOFGVMAHFWATR-GFCCVEGCSA-N 422.425 3.842 0 50 HHAA O=C(c1cccs1)N1C[C@@H]2CN(Cc3cnc[nH]3)C[C@]2(CCc2ccccc2)C1 1772813599 JGDNJRHHSAZDJU-WMZHIEFXSA-N 406.555 3.678 0 50 HHAA CCSCc1nnc2sc(-c3ccc(I)cc3)nn12 1776111004 JKBLNONNBWTFCW-UHFFFAOYSA-N 402.286 3.711 0 50 HHAA O=C(c1cccc(C(F)(F)F)c1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857684282 GTURGXIQRIFGCA-FQEVSTJZSA-N 404.388 3.595 0 50 HHAA COc1cc(Oc2cc(C(=O)NCc3nc(C)cs3)ccc2OC)ccc1CN 1857685513 LOSBBKGUFPMIIZ-UHFFFAOYSA-N 413.499 3.650 0 50 HHAA CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2nnc3ccccc3c2N)CC1 1875349889 RHCNEQZHBXWAER-UHFFFAOYSA-N 411.893 3.591 0 50 HHAA CC(C)(C)c1n[nH]cc1S(=O)(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 2325742326 QSOSIYWLPYOKLQ-UHFFFAOYSA-N 415.397 3.577 0 50 HHAA COc1cncc(N2CCN(C(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)c1 2325851933 NGCLPCMXJYLKHW-UHFFFAOYSA-N 413.481 3.596 0 50 HHAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc4c(Cl)cccc4[nH]3)C1)CC2 2356157213 FSPKPMHNHKSLJI-JOCHJYFZSA-N 409.921 3.798 0 50 HHAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 853934 JUVNOQZQZGPOCX-IRLDBZIGSA-N 422.481 3.616 0 50 HHAA biogenic Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2Cl)cc1 1077981 YCFJJCPOIOYRTF-UHFFFAOYSA-N 415.902 3.774 0 50 HHAA COc1ccc(NC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CCCC3=O)cc1 1140287 NHQXXRISFONUTN-UHFFFAOYSA-N 402.450 3.926 0 50 HHAA O=C(C(=O)N1CCOCC1)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 4413090 PFGRBARARDUSOZ-UHFFFAOYSA-N 400.837 3.524 0 50 HHAA CCCCNC(=O)c1sc(NC(=O)COc2ccccc2)c(C(=O)OCC)c1C 4832197 KXQJBIFCJIDNEU-UHFFFAOYSA-N 418.515 3.781 0 50 HHAA Cc1cccc(COc2nc3cc(C)ccc3cc2CN[C@H]2CCS(=O)(=O)C2)c1 11786013 GDLHBPCTMMIPIB-NRFANRHFSA-N 410.539 3.707 0 50 HHAA O=C1CC[C@](CCC(=O)N2CCC3(C=Cc4ccccc43)CC2)(Cc2ccco2)N1 12165946 HICQYLMYQCUSML-VWLOTQADSA-N 404.510 3.838 0 50 HHAA CCCn1ncc(CN2CCC[C@@](Cc3cccc(OC)c3)(C(=O)OCC)C2)c1C 12707337 UXNPYKVMKYXZSP-DEOSSOPVSA-N 413.562 3.998 0 50 HHAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc23)c1C 14977439 NRGGXEANTDWEAG-AWEZNQCLSA-N 423.542 3.724 0 50 HHAA COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@@H]2O 15262532 GWDFJIBHVSYXQL-ZKTNFTSUSA-N 416.470 3.978 0 50 HHAA biogenic,in-vitro COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1nnc(-c2ccsc2)o1)CC3 23505913 VALSMXIOSDTYMG-UHFFFAOYSA-N 408.483 3.806 0 50 HHAA CCOc1ccc(CN2CCN(Cc3nc(C(C)C)cs3)C[C@H]2CCO)cc1 36385827 WABGBSSNCVVKBK-LJQANCHMSA-N 403.592 3.734 0 50 HHAA COc1cccc(-c2noc(-c3ccc(N(C)Cc4cccnc4)nc3)n2)c1OC 39400641 BRFNGAOBGQSXAN-UHFFFAOYSA-N 403.442 3.847 0 50 HHAA CSc1cccc(NC(=O)NCCNc2cc(-n3nc(C)cc3C)nc(C)n2)c1 65365652 IDCXCOMNHMGYLN-UHFFFAOYSA-N 411.535 3.543 0 50 HHAA O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)c1ccccn1 72427145 ILBREGPPPKCJOF-UHFFFAOYSA-N 413.481 3.569 0 50 HHAA O=C([C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccccc1)N1CCc2ccccc21 222038784 RGWWRNWYVJKABT-COPCDDAFSA-N 410.539 3.598 0 50 HHAA COc1ccccc1N1CCN(c2ncncc2-c2nc(-c3ccsc3)no2)CC1 263617901 QGGSHAMWBPQUHN-UHFFFAOYSA-N 420.498 3.590 0 50 HHAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc2c(nc1O)CCCCC2 485718882 KKXIUMGLYPZREJ-UHFFFAOYSA-N 422.403 3.802 0 50 HHAA COc1ccc(CNC(=S)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1 731567842 JBCVRJQZLDGZSJ-QFIPXVFZSA-N 419.550 3.909 0 50 HHAA CC(C)c1ccc(N2C[C@@H](C(=O)N(C)Cc3nc(O)c4sccc4n3)CC2=O)cc1 952969565 GDEOTHDNWYTEEG-HNNXBMFYSA-N 424.526 3.532 0 50 HHAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(CSc2ccccn2)cc1 952982387 OWDUOLCZCYAGBS-NRFANRHFSA-N 411.571 3.747 0 50 HHAA Cc1ccc(S[C@@H](C)C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)cc1 952984590 WWZOFUCRNMWLRJ-KXYZOEOQSA-N 411.575 3.635 0 50 HHAA COCC(=O)Nc1ccc(NC(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)cc1OC 952988242 CFLIICAUHKNCKX-QFIPXVFZSA-N 400.450 3.726 0 50 HHAA Cc1oc2c(c1C(=O)N1CCc3c(-c4ccccc4)nn(C)c3CC1)C(=O)CCC2 1857708851 QPJLHBGIIYWPCM-UHFFFAOYSA-N 403.482 3.749 0 50 HHAA CCc1c(NC(=O)N[C@H](C)[C@@H](C)n2cncn2)cnn1-c1ccc(C(F)(F)F)cc1 1875262918 UTINRUDZYKNLKN-CHWSQXEVSA-N 421.427 3.816 0 50 HHAA C[C@H](Cc1nccn1C)NC(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 1875333623 DYEHZWCOBRCDQS-OAHLLOKOSA-N 401.511 3.540 0 50 HHAA CCOC(=O)c1cc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c(C)nc1C 1129360 GGDFSZKICOJBNO-UHFFFAOYSA-N 413.430 3.618 0 50 HHAA COc1ccc(S(=O)(=O)NCCc2sc(-c3ccccc3)nc2C)cc1F 4346947 CBSXPFMZRJQCHV-UHFFFAOYSA-N 406.504 3.787 0 50 HHAA CCc1nnc(SCC(=O)Nc2ccc(OC)c(OC)c2)c2cc3occc3n12 6894197 WMPIBVYJOLCRFC-UHFFFAOYSA-N 412.471 3.786 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1C 11697673 ONOLVCUCAKOSQH-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCCc1ccc(F)cc1 11882159 OPAMICFCNDJIDC-QFIPXVFZSA-N 402.897 3.810 0 50 HHAA CC1CCN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC1 12193700 LZCURRLWEIXJHC-NRFANRHFSA-N 422.447 3.513 0 50 HHAA CCn1ccnc1CN(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 12433350 PZPMXZPSMWXHAL-JOCHJYFZSA-N 414.569 3.935 0 50 HHAA CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccccc1Cl)C2 14740949 WVHGKABSSPSKBX-KRWDZBQOSA-N 400.954 3.830 0 50 HHAA O=C(CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O)N1CCOCC1 18254348 HQFSRZYQLTVDAZ-UHFFFAOYSA-N 414.914 3.799 0 50 HHAA OCC[C@@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CCN1Cc1ccccc1 19595591 HALIIDAOGDHSLF-HSZRJFAPSA-N 410.949 3.595 0 50 HHAA CCC(CC)N(CCc1ccccc1)C(=O)C1CCN(C(=O)[C@H]2CCCO2)CC1 55119635 VRJJQLAIRGCXQC-JOCHJYFZSA-N 400.563 3.664 0 50 HHAA COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(Cc1ncccn1)CC2 95502876 JIXPVUOAXITMTB-UHFFFAOYSA-N 402.498 3.615 0 50 HHAA Cn1ccnc1Sc1ccc(NC(=O)C(=O)NC2(c3ccccc3)CCC2)cc1 225533256 QQWSNFWSIBOXNN-UHFFFAOYSA-N 406.511 3.705 0 50 HHAA COc1cccc(-n2cnnc2S[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 252445430 XQCWSWGJDUHJSG-ZHEXZJMTSA-N 400.548 3.697 0 50 HHAA Fc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc5c(c3)OCO5)OC4)n2)cc1 263617855 QBRGFRGAHZBCEF-IBGZPJMESA-N 406.373 3.739 0 50 HHAA O=C(Cc1ccc(N2CCC(NCCc3ccccc3F)CC2)cc1)N1CCCC1 299763991 IMUUDXDBIQYGPQ-UHFFFAOYSA-N 409.549 3.792 0 50 HHAA Cc1cc(N2CCC(NC(=O)c3ccnc(-c4ccc(Cl)cc4)n3)CC2)nc(C)n1 499953079 PLGNNIQXTJRPNM-UHFFFAOYSA-N 422.920 3.603 0 50 HHAA CC(=O)Nc1sc(NC(=O)C[C@H]2NC(=O)c3ccccc32)nc1-c1ccccc1 1633547120 LZSCLXVUZFRONF-MRXNPFEDSA-N 406.467 3.582 0 50 HHAA C[C@]1(O)CCOC2(CCN(Cc3ccccc3OCCCCn3ccnc3)CC2)C1 1704312172 MKKSFCJCDKFRSG-QHCPKHFHSA-N 413.562 3.638 0 50 HHAA COc1cccc(CN(Cc2cnc(C(=O)O)cn2)Cc2ccccc2F)c1OC 1772702706 AGKSKUXEUKLQJP-UHFFFAOYSA-N 411.433 3.534 0 50 HHAA COCCC(=O)N1C[C@H]2CN(CCSC(C)C)C[C@]2(CCc2ccccc2)C1 1772710874 UBVDRLIXYJJMBR-FYYLOGMGSA-N 404.620 3.558 0 50 HHAA CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1nc2cccnc2[nH]1 1875252839 ZBSJUHFNTCKGKU-INIZCTEOSA-N 421.284 3.763 0 50 HHAA CN(C)CCC(=O)Nc1ccc(NC(=O)c2cc3oc(Br)cc3[nH]2)cc1 1875333865 OCQGZYHGTSEHOE-UHFFFAOYSA-N 419.279 3.666 0 50 HHAA O=C1N(Cc2ccccn2)CCC[C@]12CCCN2Cc1coc(-c2ccccc2)n1 2100534312 CGKYVSSEHMQGHX-DEOSSOPVSA-N 402.498 3.894 0 50 HHAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(-c4ccccc4)nc3O)C1)CC2 2356153419 GEBCTNJWMNLTKI-DEOSSOPVSA-N 400.482 3.673 0 50 HHAA CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccccc2OC(C)C)NC(=O)N1 847698 VCBDTLZTPNTPPA-NRFANRHFSA-N 424.453 3.574 0 50 HHAA C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccccc1Cl 1049633 YIZJAKZJCNRRMH-SNVBAGLBSA-N 421.733 3.630 0 50 HHAA COc1ccc(Cl)cc1N(CC(=O)Nc1cc(Cl)ccc1C)S(C)(=O)=O 1172597 LUXNGPKMTJGRQS-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA CCCCN1C(=O)[C@](O)(CC(=O)Cc2ccccc2)c2cc(Br)ccc21 4554837 MYRCNGHABDRTLI-NRFANRHFSA-N 416.315 3.985 0 50 HHAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 5388830 HMDYKBXMNUFMGY-UHFFFAOYSA-N 403.360 3.576 0 50 HHAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2ccsc2)CC1 11764460 FLLIBADGLLTUTJ-UHFFFAOYSA-N 408.527 3.993 0 50 HHAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2cc(C)nc(C)n2)C1 12298794 DRUXTYCJYGWJPG-XMMPIXPASA-N 409.530 3.902 0 50 HHAA Cc1cc(C)n([C@@H](C)C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)n1 12459386 ZTDJXOJPWTXLMQ-IBGZPJMESA-N 400.542 3.613 0 50 HHAA COc1cccc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccnn3C)c2)c1 12718516 NFTRPGYAVRFOEW-OAQYLSRUSA-N 418.497 3.729 0 50 HHAA CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 34187033 NTEWNLYJODFHQS-ANGMODEESA-N 402.531 3.628 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cc2)n1 148568385 OMNBISLQVZQQPY-SFHVURJKSA-N 400.486 3.620 0 50 HHAA CC(=O)Nc1ccc(OC(=O)c2nn(-c3ccc(F)cc3)cc2Br)cc1 170630236 YCEUPYOXCUNSIT-UHFFFAOYSA-N 418.222 3.952 0 50 HHAA CC[C@@H](CNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1)Oc1ccccc1F 225475070 ZINRJBJKIHPVAJ-IBGZPJMESA-N 424.520 3.838 0 50 HHAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 239433269 XLGKCUXOTWEAMG-MOXQZVSFSA-N 416.477 3.741 0 50 HHAA O=C(CC[C@H]1N=C(O)N(c2ccccc2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12 252491682 LQPTZFZQEPRWHE-LJQANCHMSA-N 424.888 3.590 0 50 HHAA COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Cc3cccc(C)c3)n2)cc1OC 263617711 PGWKGAQFZBBZML-SFHVURJKSA-N 407.470 3.968 0 50 HHAA CS(=O)(=O)Nc1ccc(C(=O)NC2(c3ccc(F)cc3F)CCCCC2)cc1 498777624 CRAUPDDIUKMNAR-UHFFFAOYSA-N 408.470 3.926 0 50 HHAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)N[C@@H](Cn1cccn1)c1ccccc1 670448140 QDPZCAXOVHBPHS-QFIPXVFZSA-N 412.493 3.988 0 50 HHAA C[C@](NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)(C(=O)O)c1ccccc1 1875333646 FUXOEXVIFVQRGA-LJQANCHMSA-N 404.253 3.909 0 50 HHAA COc1cc(C(=O)O[C@H]2C[C@H](c3ccccc3)CCC2=O)cc(NC(C)=O)c1OC 2325901454 GWIKZMHFXUBIFU-UZLBHIALSA-N 411.454 3.724 0 50 HHAA Cc1cc(C[C@H](C)NC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)sc1C 2356160204 IKIOPTJZTIFGBT-AWEZNQCLSA-N 404.601 3.939 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(C)n1 631274 YBTMFJXOSYKARJ-UHFFFAOYSA-N 416.890 3.800 0 50 HHAA COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1OC 887778 CAJYTAURGVSELO-MRXNPFEDSA-N 403.438 3.659 0 50 HHAA aggregator Cc1cc(Br)cc2c1N(C)C(=O)[C@@]2(O)CC(=O)c1ccc(Cl)cc1 1124162 ZTRFNZVLPKRRKQ-GOSISDBHSA-N 408.679 3.848 0 50 HHAA CCN(CC)C(=O)c1sc(NC(=O)c2cc(Cl)ccc2OC)c(C(N)=O)c1C 2742991 LKBVLYMMIQMYNX-UHFFFAOYSA-N 423.922 3.552 0 50 HHAA Cc1cccc(OCc2ccc(C(=O)Nn3c(S)nc4ccccc4c3=O)o2)c1 2793124 YPFFGHRVUIILMT-UHFFFAOYSA-N 407.451 3.550 0 50 HHAA Brc1sc(I)cc1I 4099267 BQWVZOVXIJOYBF-UHFFFAOYSA-N 414.831 3.720 0 50 HHAA COc1ccc([C@H](C)NC(=O)c2ccccc2I)cc1OC 4869979 YFOXZVJCDGJZKH-NSHDSACASA-N 411.239 3.799 0 50 HHAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 5091462 HOMAZFZOKVXGJL-MRXNPFEDSA-N 420.962 3.876 0 50 HHAA COc1cc(CN2CCC3(CC2)C[C@H]3C(=O)NCCc2ccccc2)cc(OC)c1 12004149 VANOVDHETJXVEQ-QHCPKHFHSA-N 408.542 3.665 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1 12710787 VYIOPDGVDRTGAK-RUZDIDTESA-N 408.590 3.527 0 50 HHAA COc1ccc(CC(=O)N[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1OC 12716252 WKHFCDSRYKHRNB-INIZCTEOSA-N 411.527 3.641 0 50 HHAA Cc1cc(C(=O)NC[C@H](C)Oc2cccc(CN(C)Cc3ccsc3)c2)n(C)n1 14959019 KTLAPJWRTHQCGA-KRWDZBQOSA-N 412.559 3.619 0 50 HHAA CCn1cc(CN2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cn1 14966575 NYZRZCHSOKSAFF-QGZVFWFLSA-N 400.954 3.616 0 50 HHAA Cc1ccc(OCCSc2nc3ccccc3n2C[C@@H](O)CO)c(C(C)C)c1 16156159 KLRHXSMUAIHGPJ-QGZVFWFLSA-N 400.544 3.992 0 50 HHAA COc1cc2c(cc1OC)CN([C@@H]1CCCN(Cc3csc(C(C)=O)c3)C1)CC2 20272251 OGQWMKCNUZXABU-HXUWFJFHSA-N 414.571 3.991 0 50 HHAA CC[C@@H](C(=O)Nc1ccc(Cl)cn1)n1ccc(C(=O)Nc2ccc(Cl)cn2)n1 20617639 VLSMWLFMPUJLMI-AWEZNQCLSA-N 419.272 3.822 0 50 HHAA Cc1ccc(N2CCN(CC(=O)Nc3ccccc3Br)CC2)c(C)c1 52537600 ONRMMYWSCPMSGV-UHFFFAOYSA-N 402.336 3.827 0 50 HHAA COCC1(C(=O)N2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)CC1 67723505 HIKLKLQROJNKHD-UHFFFAOYSA-N 410.495 3.817 0 50 HHAA O=C(CCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 96523164 PSWZKLIIBJTYBS-RYUDHWBXSA-N 401.677 3.840 0 50 HHAA COc1ccc(OCCCC(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)cc1 225485773 UMEYRMMTSAPOAB-UHFFFAOYSA-N 418.921 3.979 0 50 HHAA CCc1c(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cnn1-c1ccc(F)cc1 225763812 FETSRUWEPAVWMH-GOSISDBHSA-N 421.476 3.610 0 50 HHAA CN(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1cccc(C(F)(F)F)c1 238923877 PWWCFNUGDXYVCG-MRXNPFEDSA-N 404.388 3.845 0 50 HHAA Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 239025412 BOBCXSAKWZIYNV-BGJPATFMSA-N 402.494 3.576 0 50 HHAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCCc1nc2ccccc2s1 497704980 CFXJSZYPMXYJTP-SFHVURJKSA-N 423.538 3.659 0 50 HHAA COc1ccc2c(c1)[C@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)CCC2 1309365613 OJSIVYVRAASXGQ-OAHLLOKOSA-N 401.406 3.792 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)NCc3cccs3)CC1)OCC2 1704302058 AEUYJNNRYUHCDS-UHFFFAOYSA-N 402.516 3.539 0 50 HHAA O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccc(-c2ccncc2)nc1O 1875260347 NVUCOMZPQAQANJ-MRXNPFEDSA-N 408.889 3.901 0 50 HHAA CC1=NC(=O)C2(CCN(C(=O)C3(c4ccc(Cl)c(Cl)c4)CCCC3)CC2)N1 2356135803 UETUXNRUFVGVDW-UHFFFAOYSA-N 408.329 3.715 0 50 HHAA O=C(O)c1cccc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2cccc(F)c2)n1 2356147029 FCFWJEFDTJHLLG-KSCDAYEDSA-N 409.505 3.841 0 50 HHAA Cc1c(C(=O)N(C)C)sc(NC(=O)c2cccnc2Cl)c1C(=O)OC(C)C 1002102 RFRKAAKBNNSGAH-UHFFFAOYSA-N 409.895 3.624 0 50 HHAA COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1 1320587 SEQNNIMUKZLTJO-XMMPIXPASA-N 405.425 3.842 0 50 HHAA Cc1cc(CN2C(=O)C(=O)c3ccccc32)c(C)cc1CN1C(=O)C(=O)c2ccccc21 2029645 QVVCOXZDTCDRFQ-UHFFFAOYSA-N 424.456 3.762 0 50 HHAA CCn1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)c(C(=O)NC2CCCC2)n1 2730735 IPCSWLQXJZRYPE-IRXDYDNUSA-N 400.910 3.971 0 50 HHAA CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 2734687 NHVISNTXUGKLHM-UHFFFAOYSA-N 411.321 3.780 0 50 HHAA biogenic COc1cc(C2(c3ccc(O)c(OC)c3)C(=O)N(C)c3ccc(C)cc32)ccc1O 4628398 HNCWUMDEUPKKJJ-UHFFFAOYSA-N 405.450 3.734 0 50 HHAA CCOC(=O)COc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 9600553 YQXOPZZAPORVME-IBGZPJMESA-N 424.482 3.706 0 50 HHAA Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc4nonc4c3)C2)cc1 11663392 QIJPFQJNRMLCJF-GOSISDBHSA-N 416.485 3.568 0 50 HHAA CCc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 11697676 CMDDMYJCWWXRSJ-UHFFFAOYSA-N 403.490 3.532 0 50 HHAA Cn1nccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1 11709852 BDHYTROHWBBMNS-GOSISDBHSA-N 406.461 3.717 0 50 HHAA O=C(CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1)N[C@H](c1ccccn1)C(F)(F)F 11788626 YXDYLLUIWFCAMY-WOJBJXKFSA-N 423.410 3.612 0 50 HHAA COc1ccc(CNC(=O)c2sc3ncnc(NC[C@H]4CCCO4)c3c2C)cc1 11977243 WJYXYPBZOMKMLR-MRXNPFEDSA-N 412.515 3.529 0 50 HHAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)C3=CCCCC3)C2)c(OC)c1 12076320 PMZAAIYGDOJVLN-GOSISDBHSA-N 414.546 3.839 0 50 HHAA CCNC(=O)c1sc2ncnc(NCC3(c4ccccc4)CCOCC3)c2c1C 12130682 DMLQFHVJVYTKHJ-UHFFFAOYSA-N 410.543 3.910 0 50 HHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCCc1cccc(OC)c1)C3 12218693 WUDJNTUBIDTGKU-QGZVFWFLSA-N 411.571 3.956 0 50 HHAA CC1(C)[C@H]2CC=C(CCNC(=O)Cn3cc(NC(=O)c4ccccc4F)cn3)[C@@H]1C2 12245651 YSVGCIMUOUOJKH-LPHOPBHVSA-N 410.493 3.773 0 50 HHAA COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 13679954 SQQFTRXULBXBQG-UHFFFAOYSA-N 416.524 3.830 0 50 HHAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 14533304 PHESYHZICABMFX-UHFFFAOYSA-N 420.538 3.725 0 50 HHAA Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)CC(F)(F)F)c2)s1 14954081 PGXDDPBAOUAQPL-CQSZACIVSA-N 412.437 3.786 0 50 HHAA O=C(CCC1CCN(Cc2c[nH]nc2C2CCCCC2)CC1)NC[C@H]1CCCO1 15068059 OOSUNLBVPLJBJO-OAQYLSRUSA-N 402.583 3.745 0 50 HHAA Cc1cc(=O)oc2ccc(OCCCC(=O)N3CCN(Cc4ccccc4)CC3)cc12 25578664 YDEQJTVWFVSJQP-UHFFFAOYSA-N 420.509 3.605 0 50 HHAA CC(C)c1sc(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)nc1-c1ccccc1 170604971 ANRXUMVXWANPJI-UHFFFAOYSA-N 421.526 3.517 0 50 HHAA Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCCCC[C@H]43)C2=O)cc1 248072224 ACJMSTQVVQYGQW-GBXCKJPGSA-N 403.482 3.570 0 50 HHAA COc1ccccc1N1CC[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1 252586759 SGRLJARPOLPRDR-YSIASYRMSA-N 422.525 3.697 0 50 HHAA O=C(CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)c1ccc2c(c1)CCC2 303429686 WMWIDELHAYXNIY-QFIPXVFZSA-N 405.494 3.873 0 50 HHAA COc1ccc(OCCCNC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 804983912 WHFKYTCWXLCZDK-GOSISDBHSA-N 412.408 3.516 0 50 HHAA COC(=O)C12CCC(C(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)(CC1)CC2 815407341 PZXBBBMVTIFSJX-UHFFFAOYSA-N 423.513 3.956 0 50 HHAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1cccc(OCc2cccc(F)c2)c1 826616540 DESMLAZIJRDVNZ-SFHVURJKSA-N 410.489 3.926 0 50 HHAA FC(F)(F)c1nnc(N2CCN(Cc3cncn3C3CCCCC3)CC2)s1 1506401412 QSEZRWBJARRUFG-UHFFFAOYSA-N 400.474 3.581 0 50 HHAA COc1ccc(C2=NN(C(=O)CC(C)(C)CC(=O)O)[C@H](c3ccco3)C2)cc1OC 1875388624 IYMXJBGQXCDCEF-INIZCTEOSA-N 414.458 3.866 0 50 HHAA COc1ccccc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O 800422 BJSGTWNFGOPNLA-UHFFFAOYSA-N 410.495 3.767 0 50 HHAA COc1cc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2C)cc(OC)c1OC 1019847 FABKHXGMVJJEBH-UHFFFAOYSA-N 417.462 3.622 0 50 HHAA COc1ccccc1COn1c(=O)c(-c2cccc(Cl)c2)[n+]([O-])c2ccccc21 1127176 ZZIIFRVDPISSRW-UHFFFAOYSA-N 408.841 3.593 0 50 HHAA CCSc1nnc2c(n1)O[C@H](c1ccc(OCC(=O)O)cc1)Nc1ccccc1-2 1507290 UPUKZMSYMFEDBY-GOSISDBHSA-N 410.455 3.617 0 50 HHAA CCOC(=O)c1c(NC(=O)c2cc(C(F)(F)F)nn2C)sc2c1CCCC2 2753389 CGZDZTSWTCIGII-UHFFFAOYSA-N 401.410 3.808 0 50 HHAA CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(C)o3)CC2)CC1 4706997 XVWKVVBHWAGLKE-UHFFFAOYSA-N 411.546 3.548 0 50 HHAA O=C(Nc1c(C(=O)NCc2cccnc2)cnn1-c1ccccc1)c1ccc(F)cc1 4710424 DYHDLGQVHLBDBG-UHFFFAOYSA-N 415.428 3.589 0 50 HHAA COc1cc2oc(=O)c(CC(=O)NCCc3ccccc3F)c(C)c2cc1Cl 4742640 KHIHJMWGWLXRPG-UHFFFAOYSA-N 403.837 3.804 0 50 HHAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2C)c(C)c1 4809507 IAEZYAHCAAHIKI-UHFFFAOYSA-N 409.511 3.738 0 50 HHAA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 5101180 MOTMVXLFBMXYGN-ZIAGYGMSSA-N 403.431 3.946 0 50 HHAA OCc1ccc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)o1 11838256 MZSSBGDOZFSBKF-XMMPIXPASA-N 424.585 3.632 0 50 HHAA O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1Cc1ccc(-n2cccn2)cc1 12510058 UKBGZPFPLRNRBM-NRFANRHFSA-N 422.504 3.561 0 50 HHAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)C[C@@H]1COCCO1 12835388 WMUZQIPZKREFMR-LJQANCHMSA-N 413.468 3.973 0 50 HHAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2cncs2)C3)s1 14883210 PNYWXEWAPFINJQ-CYBMUJFWSA-N 402.472 3.947 0 50 HHAA CC(C)n1cc(C(=O)N[C@@H](C)c2ccco2)c(=O)c(C(=O)N(C)Cc2ccccc2)c1 15066897 NZAWZDUBOFOWLJ-KRWDZBQOSA-N 421.497 3.785 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccccc3CC)n2)ccc1C 16625194 OOQMBDYJHJSXNQ-UHFFFAOYSA-N 418.497 3.768 0 50 HHAA OCC[C@@H]1CN(C2CCN(c3ccc(Cl)cc3)CC2)CCN1Cc1ccccc1 20452614 JSSUDFYYXWDONC-XMMPIXPASA-N 413.993 3.878 0 50 HHAA Cc1c(CN[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(=O)n(-c2ccccc2)n1C 20472437 DHPXLLJFSCFCJR-OAQYLSRUSA-N 424.976 3.892 0 50 HHAA O=C([C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1 20541703 IOCXSNIZVMPXIC-HSZRJFAPSA-N 409.618 3.733 0 50 HHAA O=C(Nc1cccnc1)N1CCC2(CC1)Nc1ccccc1N(CC1CCC1)C2=O 48112429 YPPSATHDBNTHFA-UHFFFAOYSA-N 405.502 3.707 0 50 HHAA CCc1cc(N2C[C@@H]3C[C@H]2C(=O)N3c2cc(-c3ccccc3)ccc2OC)ncn1 77285659 FKQYFNVTSKZOLZ-FPOVZHCZSA-N 400.482 3.709 0 50 HHAA COc1ccc(F)c(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)c1F 95382209 AQUCOOWJQZWALO-DOTOQJQBSA-N 404.432 3.849 0 50 HHAA COC(=O)CSc1nc(C(F)(F)F)nn1-c1ncc(C(F)(F)F)cc1Cl 261494931 UXAQZADSMMKTFQ-UHFFFAOYSA-N 420.722 3.618 0 50 HHAA COC(=O)C1CCN(C(=O)c2cc(C(c3ccccc3)c3ccccc3)no2)CC1 299776708 DCMHAZFDSWUDKD-UHFFFAOYSA-N 404.466 3.880 0 50 HHAA CNC(=O)COc1ccc(NC(=O)Nc2nc(Cc3ccccc3)cs2)c(C)c1 432399670 HXJCOHCMVUKVPN-UHFFFAOYSA-N 410.499 3.811 0 50 HHAA Cn1cc(Br)cc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c1=O 433037830 HDOAZLKCARDBQS-INIZCTEOSA-N 402.292 3.907 0 50 HHAA O=S(=O)(Nc1ccc2c(c1)nc1n2CCCCC1)c1cnn(-c2ccccc2)c1 435200572 IOSKCNUABJFZCN-UHFFFAOYSA-N 407.499 3.749 0 50 HHAA Cc1cn2cc(NC(=O)[C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)ccc2n1 463609928 GEUJVVUUGMYNGO-IBGZPJMESA-N 419.312 3.962 0 50 HHAA O=C(N1CCC(CNc2nn3cc(-c4ccccc4)nc3s2)CC1)C(F)(F)F 754020073 YNANCVOKTFQIBC-UHFFFAOYSA-N 409.437 3.671 0 50 HHAA COc1ccc(C2(CNC(=O)C[C@@H]3c4ccccc4CCN3C(C)=O)CCC2)cc1 784580907 TXHWYYROJNCGLW-HSZRJFAPSA-N 406.526 3.769 0 50 HHAA CCCC[C@H](c1cccnc1)N(C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 952963842 JLIQKZHNCKIDIE-HXUWFJFHSA-N 403.548 3.546 0 50 HHAA O=C(NC1CCN(Cc2ccccc2Cl)CC1)c1ccc(CN2CCCC2)o1 952977035 IWNOXRXVPLBLMM-UHFFFAOYSA-N 401.938 3.923 0 50 HHAA O=C([C@H]1C[C@@H]2CC[C@H]1O2)N1CCC(C2CCN(Cc3ccccc3F)CC2)CC1 1857723972 FRODJJUECRZJQI-QNWVGRARSA-N 400.538 3.844 0 50 HHAA O=C(O)C[C@H]1C[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)CO1 1857783549 XSGVESBLDAPUMH-FYSMJZIKSA-N 407.466 3.891 0 50 HHAA COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccc(C)cc3)C(=O)O)no2)c(Cl)c1 2325877344 PCSALQCSQSELDL-GOSISDBHSA-N 414.845 3.738 0 50 HHAA COCCC[C@@]1(CO)CN(Cc2ccc3ccn(Cc4ccccc4)c3c2)CC[C@H]1O 2356147818 QKKISZQTLWIKFI-FTJBHMTQSA-N 422.569 3.662 0 50 HHAA CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCC(=O)OC 630479 UULDPNRKZOCFLB-UHFFFAOYSA-N 410.422 3.736 0 50 HHAA biogenic COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1OC 665542 VVNDNOHLGTYIHA-UHFFFAOYSA-N 420.314 3.540 0 50 HHAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)cc1C 1064757 LRONEILQAXZFKG-KRWDZBQOSA-N 422.934 3.666 0 50 HHAA CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1 1110199 FNIWXFASXARRJG-UHFFFAOYSA-N 424.950 3.648 0 50 HHAA COc1ccc(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)cc1 1218504 UUVGBZCAFLGQMI-GOSISDBHSA-N 424.522 3.630 0 50 HHAA CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CC)c2ccc(C)cc2)cc1 2072312 RMAVOYAEYXOWOW-KRWDZBQOSA-N 404.532 3.504 0 50 HHAA CCn1nccc1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 2778931 BEXNOMOZBMGPJF-CYBMUJFWSA-N 413.547 3.518 0 50 HHAA COc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4OC)c2=O)C(=O)CCC3)cc1 4476441 JYRXXAPRNCNPPZ-UHFFFAOYSA-N 418.449 3.626 0 50 HHAA Cc1nn(CC(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)c(=O)c2ccccc12 12430157 XKYREASRGNUDHU-OAQYLSRUSA-N 418.541 3.931 0 50 HHAA O=C(Nc1ccnn1C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1)C1CC1 12579652 WJEZTJNGAMSZFT-UHFFFAOYSA-N 412.921 3.780 0 50 HHAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 13708634 HYGTUTBAIXPDAG-QGZVFWFLSA-N 404.466 3.718 0 50 HHAA COc1ccc(-c2n[nH]cc2CN[C@@H]2CCCN(Cc3cccc(OC)c3)C2)cc1 23372899 CIMPGRXENNMVJG-OAQYLSRUSA-N 406.530 3.848 0 50 HHAA O=C(c1cc(F)c(F)cc1F)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55042668 JVECWNBAQKCKTG-QGZVFWFLSA-N 421.438 3.670 0 50 HHAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1 65365915 BJRRVFMPVIWJGK-UHFFFAOYSA-N 412.513 3.577 0 50 HHAA O=C(Nc1nn(CC(F)(F)F)c2cccc(Oc3cccnc3)c12)c1cnccn1 72407800 RWXPUZRXMSEGGJ-UHFFFAOYSA-N 414.347 3.828 0 50 HHAA O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 170625823 PRZNALJFJMOSOL-ONGXBYRLSA-N 400.425 3.742 0 50 HHAA O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2[nH]nc(I)c2c1 215766351 NZWUONSEXBGACW-SJCJKPOMSA-N 401.207 3.545 0 50 HHAA O=C(NCc1ccccc1Cn1cccn1)c1c[nH]c2ncc(Br)cc12 225394754 WYKVSSONYVLWBX-UHFFFAOYSA-N 410.275 3.500 0 50 HHAA CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2ON1c1ccccc1 226981205 JPAGAUXKVTXNOI-FGTMMUONSA-N 415.287 3.928 0 50 HHAA CC(=O)NC(N(C[C@@H]1CC=CCC1)C[C@H]1CCCO1)(C(F)(F)F)C(F)(F)F 229995622 JQPWJMIWBFFDAT-ZIAGYGMSSA-N 402.379 3.781 0 50 HHAA O=S(=O)(CCCNCc1ccc(F)c(Br)c1)Cc1ccccc1 237741407 CAIUKGQZAVARDQ-UHFFFAOYSA-N 400.313 3.683 0 50 HHAA C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CCN(CC(F)(F)F)CC1 239367340 AIJFVHKPBNNODG-YVEFUNNKSA-N 421.866 3.837 0 50 HHAA O=C(Nc1ccc2[nH]ccc2c1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 253388005 HVZPVLVHGPXCNH-QAQDUYKDSA-N 411.527 3.891 0 50 HHAA N=C(O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(Cc2nnc(C3CCC3)o2)C1 328604044 IFEGOSZKBGINBJ-INIZCTEOSA-N 406.490 3.786 0 50 HHAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H](c1ccc(F)cc1)N1CCCCC1 827647439 KFYVCTYCRGWDIZ-QHCPKHFHSA-N 409.505 3.796 0 50 HHAA CCOc1cc2c(cc1CNC(=O)[C@H]1CC(c3cc(C)ccc3C)=NO1)O[C@H](C)C2 1264928498 BXPXUMWYFRCOSU-WAIKUNEKSA-N 408.498 3.835 0 50 HHAA C[C@@H]1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1 1772616182 HGBLIBDRBSWLRN-LJQANCHMSA-N 419.573 3.761 0 50 HHAA Cc1nc(N2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)c2ccsc2n1 1772711562 VJCGZJDWGZNIDR-HNNXBMFYSA-N 412.515 3.541 0 50 HHAA COCC1(C(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)CC1 1857697303 ODHSHFUGBKYCLX-QFIPXVFZSA-N 414.590 3.902 0 50 HHAA O=C1CCO[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2N1Cc1ccccc1 1857709193 KGTARKAVEURTJK-PMACEKPBSA-N 404.432 3.707 0 50 HHAA O=C(N[C@H]1C[C@H](OCc2ccccc2)C1)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857713204 LDSDYSMUGXUPTC-KZNAEPCWSA-N 421.522 3.513 0 50 HHAA O=C(NCCC[C@@H]1CCC[C@H]1O)NCc1ccc(Cn2cnc3ccccc32)cc1 1875263995 MQXLUGPATFAALI-NZQKXSOJSA-N 406.530 3.825 0 50 HHAA O=C1CCC[C@H](c2cccc(NC(=O)c3cnn4c(-c5ccccc5)ccnc34)c2)N1 1875279552 WHBWKQCEWSYVHU-HXUWFJFHSA-N 411.465 3.990 0 50 HHAA COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3 731784 BFLVPUCJFHPUOU-UHFFFAOYSA-N 406.916 3.854 0 50 HHAA COc1cc(-c2nnc(SCC(=O)OCc3ccccc3)o2)cc(OC)c1OC 857129 YKSKFLMEIDGMLG-UHFFFAOYSA-N 416.455 3.598 0 50 HHAA O=C(NCc1cccnc1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 866511 GLNVTHRMCZGKIK-HIFRSBDPSA-N 407.421 3.930 0 50 HHAA Nc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 894986 JQISOZFDCJWSGH-HSZRJFAPSA-N 406.869 3.930 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 1072734 NHSGZMCOJHXHGD-UHFFFAOYSA-N 412.467 3.757 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)C2CCCCC2)cc1 2078483 CVXJWRKMFDNLQR-UHFFFAOYSA-N 414.571 3.677 0 50 HHAA Cc1ccc(Cn2nc(C)c(-n3c(S)nnc3[C@H](C)n3nccc3C)c2C)cc1 2731454 YCFPSDNJIOOQQT-KRWDZBQOSA-N 407.547 3.840 0 50 HHAA O=C(NCCCc1ccccc1)c1ccc(C(=O)NCCCc2ccccc2)nc1 2750962 KPHYLRWKDJFYPN-UHFFFAOYSA-N 401.510 3.807 0 50 HHAA COc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 4754584 QKWPAJKHABMGTJ-NVNXTCNLSA-N 406.866 3.754 0 50 HHAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CC(Cc4ccccc4)=NO3)c2)n1 11872566 KXPRMAKMPYHZGG-QHCPKHFHSA-N 402.498 3.835 0 50 HHAA COc1cc(C(=O)NCCCC2CCCC2)ccc1OC1CCN(C(C)=O)CC1 12073648 JHLKNUCYVHJNRI-UHFFFAOYSA-N 402.535 3.785 0 50 HHAA CC(=O)Nc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)cc1 12306525 OTAGIVVZHSLXFJ-FQEVSTJZSA-N 417.513 3.886 0 50 HHAA COc1ccc(CCN2CCC(CN(C)C(=O)[C@H]3CCOC(C)(C)C3)CC2)cc1 12387171 GMVKFZRLCQIKMV-NRFANRHFSA-N 402.579 3.613 0 50 HHAA Cc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1Br 12406049 SDHPPIXLDIOJPF-KRWDZBQOSA-N 417.303 3.919 0 50 HHAA Cc1cccc(Cc2nnc(CCC(=O)N(C)Cc3ccc(-n4cccn4)cc3)o2)c1 12442392 AIZXHLASKOUZDB-UHFFFAOYSA-N 415.497 3.746 0 50 HHAA COc1ccc(C(=O)N(Cc2ccco2)Cc2cc3ccccc3[nH]c2=O)cc1OC 13494433 OUIYJGBORTVGEJ-UHFFFAOYSA-N 418.449 3.981 0 50 HHAA Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3F)n2)cc1NC(=O)C(C)C 16650520 WAKZCBFZUSEQBU-UHFFFAOYSA-N 422.460 3.591 0 50 HHAA O=C1C[C@H](c2ccc(F)cc2)Cc2nc(N3CCN(Cc4ccccc4)CC3)ncc21 19899888 DWJNXYSRTRXLSS-HXUWFJFHSA-N 416.500 3.851 0 50 HHAA COc1ccccc1CCC(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 20599245 QFOHONOLSKIYTE-KRWDZBQOSA-N 407.436 3.827 0 50 HHAA Cc1ccc(CNC(=O)CC[C@@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)o1 23340381 RGNRPHUAJKZHBN-GUCAUAJOSA-N 416.543 3.697 0 50 HHAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C[C@H]3CN(C)CCN3C)cc12 23375519 VZZIQFSVKOXMNT-SFHVURJKSA-N 408.521 3.535 0 50 HHAA CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)nn2)n1 169781411 OACDASNSEXZZFQ-CQSZACIVSA-N 420.395 3.558 0 50 HHAA Cc1nc(COc2cccc(C(=O)NC3CCN(Cc4cccnc4)CC3)c2)cs1 170627105 BMUVNATXZLBFRS-UHFFFAOYSA-N 422.554 3.820 0 50 HHAA Cc1cc(CNCCOc2ncc(C(F)(F)F)cc2Cl)ccc1-n1cncn1 237626163 ZQFKKGCBNWPWSE-UHFFFAOYSA-N 411.815 3.812 0 50 HHAA CC(C)c1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccc5c(c4)OCO5)ccn3n2)cc1 263616111 HDIKGWHYHFTTIF-NRFANRHFSA-N 417.465 3.749 0 50 HHAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCn2ccccc2=O)cc1 426571587 JEHKELYAXQIRBJ-UHFFFAOYSA-N 412.493 3.830 0 50 HHAA O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCN(C2CCCC2)C(=O)C1 828286382 FVVKFUXVWGVZAR-UHFFFAOYSA-N 416.481 3.631 0 50 HHAA CC(C)N1CC[C@@H](C(=O)Nc2c3c(cc4c2CCC4)CCC3)[C@H](c2cnn(C)c2)C1 849593053 ANIAOFYKCWHZCJ-PKTZIBPZSA-N 406.574 3.850 0 50 HHAA C[C@]1(CNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)OCCc2ccccc21 1254685946 HHMPDFKCCHPAPB-AZUAARDMSA-N 408.420 3.526 0 50 HHAA CCOCc1cc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)ccc1OC 1529158713 JZKGPSCCWLKULU-HYBUGGRVSA-N 406.526 3.815 0 50 HHAA Cc1nc(O)cc(CN2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)n1 1857706170 CJYDBDBMKWGQDO-QFIPXVFZSA-N 410.562 3.562 0 50 HHAA CCCOc1ccc(C(=O)N2CC[C@@H](O)[C@@](CO)(Cc3ccccc3)C2)cc1Cl 1857737678 YKIIHRMBZBXIIK-GGAORHGYSA-N 417.933 3.557 0 50 HHAA NC(=O)c1c[nH]c(C(=O)OCc2nc3ccccc3n2C23CC4CC(CC(C4)C2)C3)c1 1875263738 VUJLVRCMCIZEGC-UHFFFAOYSA-N 418.497 3.746 0 50 HHAA C[C@@H]1CCN(C(=O)c2cccc3ccn(C)c23)C[C@H]1CNC(=O)c1ccncc1Cl 1875326758 JBMTWFWGRACCOZ-NVXWUHKLSA-N 424.932 3.755 0 50 HHAA Cc1ccc(C(=O)N2CCN([C@H](COc3ccccc3)c3ccccc3)CC2)cn1 2100539564 OAOKATFUMPFYJD-XMMPIXPASA-N 401.510 3.968 0 50 HHAA Cc1cnnc(-c2ccc(C(=O)N[C@@H]3CCCN(Cc4cccnc4)C3)cc2)c1C 2356134041 UVTOHDYPHLSTOZ-JOCHJYFZSA-N 401.514 3.550 0 50 HHAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C1)CC2 2356160457 SRZKELUOSYOXGM-HXUWFJFHSA-N 404.436 3.682 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(Cc4c(C)noc4C)C3)[C@@H]3CCCC(=O)N23)c1 2356162507 LNGOXRQGGRTUBZ-SHBJFUFKSA-N 423.557 3.744 0 50 HHAA COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 644610 AOUJGDOMNOCVIY-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA CC(=O)N(CN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(Cl)cc1 711482 ARWSNTQQSUKVGY-UHFFFAOYSA-N 407.651 3.709 0 50 HHAA COc1ccccc1CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 839768 RPFARSZNEBNGQX-UHFFFAOYSA-N 424.522 3.591 0 50 HHAA CCOc1ccc(C(C)=O)cc1Cc1c(O)nc(SCc2ccccc2)[nH]c1=O 5116060 JESJDLQXUJDYNX-UHFFFAOYSA-N 410.495 3.960 0 50 HHAA COc1cc(CNCCCSC)ccc1OC[C@@H](O)CN(C)C1CCCCC1 11765037 PHVTZTIUKLDUSG-FQEVSTJZSA-N 410.624 3.542 0 50 HHAA CCOc1ccc2nc(N3CCC(NCc4ccc5nonc5c4)CC3)nc(C)c2c1 11871580 VLJOLXAKFCMCEN-UHFFFAOYSA-N 418.501 3.632 0 50 HHAA CCCC[C@@H]1CN(CC(=O)NCc2ccc(OC)c(OC)c2)Cc2ccccc2O1 12098372 LUJCHIFEAZCCPV-HXUWFJFHSA-N 412.530 3.773 0 50 HHAA CN(C)c1ccccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3ccccc3)CC2)O1 12098836 AACTVMYHBYNCEK-NRFANRHFSA-N 407.558 3.696 0 50 HHAA COc1cccc(CCC(=O)NC[C@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)c1 12200246 MLJNBYOYDMJVQX-JOCHJYFZSA-N 417.509 3.822 0 50 HHAA CC(=O)c1ccc(N2CCN([C@H]3CCC(=O)N(Cc4ccc(F)cc4)CC3)CC2)cc1 12242858 GMRFOSMGSFBLFH-DEOSSOPVSA-N 423.532 3.732 0 50 HHAA CCn1cc(CN(CCOC)C[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c(C)n1 12708724 BWGASRSRGOFNDJ-NRFANRHFSA-N 410.606 3.539 0 50 HHAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C/C=C/c1ccco1)CC2 14732013 YJGKBFGSZKPEAG-VMPITWQZSA-N 422.529 3.643 0 50 HHAA COc1cc(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc(Cl)c1O 23374825 DHYXVKWOXQEXMQ-HXUWFJFHSA-N 415.965 3.841 0 50 HHAA CC(=O)N1C(=O)[C@@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c2ccccc21 25572982 LFXYWSULDJWCCX-RDGATRHJSA-N 409.445 3.976 0 50 HHAA COc1ccc(Cn2ccc3c(nnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)cc1 40392365 YVCMVZUPBQXMRO-UHFFFAOYSA-N 417.856 3.817 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 42358718 HKPOKJLVMDEZAH-KRWDZBQOSA-N 417.465 3.870 0 50 HHAA O=C([C@H](O)c1ccc(Cl)cc1)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91325840 OWZVZYKTAOOQIB-HXUWFJFHSA-N 404.938 3.547 0 50 HHAA O=C1C[C@@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc2ccccc12 100313990 PEAHZXGSIHQOMP-JOCHJYFZSA-N 419.912 3.947 0 50 HHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 230038462 IWGWUMJVVMXHIQ-UTJXIGIESA-N 416.543 3.748 0 50 HHAA CC1(C)[C@H](NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)[C@@H]2CCCO[C@H]21 230138516 MANVJMSOCGUFLV-CGTJXYLNSA-N 408.527 3.929 0 50 HHAA OC[C@]12[C@@H]3[C@H]4[C@H]([C@H]5CCC[C@H]53)[C@@]3(COc5ccccc5)[C@@H]5[C@@H]6[C@H](CC[C@@H]6[C@]31O)[C@@H]2[C@@H]45 257356463 IEUFYJSOEMIWDR-PMRNXWCQSA-N 404.550 3.599 0 50 HHAA Cc1ccc(CNC(=O)c2oc3ccccc3c2CN(C)C)c(O[C@@H]2CCOC2)c1 468416656 BVRXKKLBBLHIHK-GOSISDBHSA-N 408.498 3.901 0 50 HHAA Cc1ccc(C(=O)Nc2c(C)c(C)cc3nc(O)[nH]c23)cc1NC(=O)[C@@H]1CCCO1 952965558 AOENNSMMMYLFSA-KRWDZBQOSA-N 408.458 3.564 0 50 HHAA CCNc1ncc(CN2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cn1 1704324933 FNVKSXWYDCLZJQ-DEOSSOPVSA-N 400.530 3.845 0 50 HHAA Cc1cccnc1N1C[C@@H]2[C@H](CNC(=O)c3ccc(Cl)s3)[C@H]3CC[C@]2(C1)O3 1875249274 NSLHYXNZCKAYBG-LYKCQVCGSA-N 403.935 3.519 0 50 HHAA COC(=O)/C=C/CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C 1875314418 WWDHHKVTPBLEPQ-RPTPJDKGSA-N 400.519 3.592 0 50 HHAA CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cccc3c2cnn3C)CC1 2325749600 QMBNGHYIUNOZQU-INIZCTEOSA-N 424.524 3.737 0 50 HHAA CCCCn1cc(C(=O)N(C)CC(C)(C)NC(=O)c2cc3sccc3[nH]2)c(C)n1 2325826413 AFFVMLVBJOKBAX-UHFFFAOYSA-N 415.563 3.815 0 50 HHAA COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)O)c(Cl)c3N2)cc1OC 867083 JJDPPMCQLFWVDK-LDYMZIIASA-N 405.760 3.912 0 50 HHAA O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 899757 MFXXUDKCXYJLPO-UHFFFAOYSA-N 414.914 3.640 0 50 HHAA CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(c1ccc(OC(F)(F)Cl)cc1)C2=O 1080422 WQVSXDXMZGPZKI-KRWDZBQOSA-N 419.815 3.852 0 50 HHAA CCn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)c(C(=O)NC2CCCC2)n1 2730737 IPCSWLQXJZRYPE-SJORKVTESA-N 400.910 3.971 0 50 HHAA Cc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)Nc1cccc(C)c1C 2875735 RUNDCUOPZGTPAN-UHFFFAOYSA-N 418.559 3.958 0 50 HHAA O=C1C[C@@H]([C@H]2CCCC=C2N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 5015832 KOJFHACVEAYTSQ-SJORKVTESA-N 408.420 3.601 0 50 HHAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NC[C@H](C)c2ccccc2)c1 11661624 GYLCHLNKDUNFFI-KRWDZBQOSA-N 410.514 3.618 0 50 HHAA COc1ccc(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)C1(c2ccc(Cl)cc2)CC1 11868794 WAGJINWPMNADBO-HKUYNNGSSA-N 410.901 3.705 0 50 HHAA C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1)n1cccn1 12434585 RWQJREKXKBGHCE-KRWDZBQOSA-N 419.485 3.509 0 50 HHAA COc1cc(CNCc2cccc3[nH]ccc23)ccc1OC[C@H](O)CN(C)C(C)C 12579816 BOUHGHFJLYJJQQ-HXUWFJFHSA-N 411.546 3.546 0 50 HHAA COc1ccc(CCN2CCC(CN(C)Cc3cccn3-c3ncccn3)CC2)cc1 14974663 WXERQGLBPOIRQY-UHFFFAOYSA-N 419.573 3.662 0 50 HHAA Cc1ccsc1CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 14998163 MKKXQXYHBZGIAG-SFHVURJKSA-N 423.586 3.516 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccncc1)C[C@H](NCc1ccccc1F)CC3 19835712 KOZATFDWLFWCKV-QGZVFWFLSA-N 420.513 3.688 0 50 HHAA CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cnc(N(C)C)s2)CC1 20600931 DVXXIZFRYZMWFI-UHFFFAOYSA-N 417.575 3.824 0 50 HHAA COc1ccc(CC2(CO)CCN(Cc3sc(N(C)C)nc3Cl)CC2)cc1 23192242 OPHXRIRSPQGPNL-UHFFFAOYSA-N 409.983 3.688 0 50 HHAA Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccncc1 100723583 XJZAFMJCRHXMSW-HKBOAZHASA-N 403.413 3.580 0 50 HHAA COc1ccc(Br)c(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 170646569 UWOHPSFTKRPILO-LBPRGKRZSA-N 413.312 3.539 0 50 HHAA O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 226601687 TVIODBURJSOHHS-YHDSQAASSA-N 413.477 3.678 0 50 HHAA CC(C)CN1C[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC(C)C)CC1=O 248259043 VPWZFPQUNDMWRF-WIYYLYMNSA-N 410.562 3.860 0 50 HHAA CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)CCc1cn(C)c2ccccc12 328592410 GRJZJBZBRXIZRY-ZCYQVOJMSA-N 405.542 3.641 0 50 HHAA CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cc(O)n[nH]1 426701461 QFHBTXQLMQRSGA-FQEVSTJZSA-N 418.497 3.830 0 50 HHAA O=C(c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)N1CCO[C@H]2CCC[C@H]21 435986910 BRYCSUMDJDLVIZ-MOPGFXCFSA-N 420.918 3.534 0 50 HHAA CCCn1c(C)nnc1CNc1cccc(Oc2ncc(Br)cn2)c1 478650698 RGNIRTWINDABRK-UHFFFAOYSA-N 403.284 3.953 0 50 HHAA CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@H]2CCC(F)(F)C2)CC1 480092447 HQQXFTQHRMJIKC-ZDUSSCGKSA-N 405.411 3.509 0 50 HHAA O=C(Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1cc2ncccn2n1 1264629240 LSRMBIVZRPQMKS-UHFFFAOYSA-N 423.835 3.704 0 50 HHAA CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccc3cccnc23)cc1 1458920304 AOINDJNJFRXJDP-HSZRJFAPSA-N 409.489 3.989 0 50 HHAA O=C1N[C@H]2c3ccccc3O[C@@]3(CCN(CC(F)(F)F)C[C@@H]23)N1Cc1cccs1 1776005081 AJEFQLSNIDVSEH-VDZJLULYSA-N 423.460 3.988 0 50 HHAA NC(=O)c1ccc(/N=c2\scc(-c3cnccn3)n2CCC[C@@H]2CCCCO2)cc1 1875255791 KVJZWVFDJHQELG-ZZNYDNHMSA-N 423.542 3.687 0 50 HHAA Cc1ncc(Cc2cccc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)c2)s1 1875264310 CHCOLOHDMGIWDB-UHFFFAOYSA-N 415.540 3.559 0 50 HHAA CC[C@@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)C2(COC)CC2)C[C@H]1c1ccccc1 2325793674 CZGFGVXVFNTUKA-SESVDKBCSA-N 400.563 3.596 0 50 HHAA COc1cc(C(=O)Nc2nn(C)c3nc4cc(C)ccc4cc23)cc(OC)c1OC 2443343 ALKOTQXKMGKIEJ-UHFFFAOYSA-N 406.442 3.708 0 50 HHAA O=S(=O)(c1ccccc1)c1nc(-c2cccc(Cl)c2)oc1N1CCOCC1 2497625 UBRDUQXQKHYVRB-UHFFFAOYSA-N 404.875 3.664 0 50 HHAA CCn1ncc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1C 2764261 PNKYKYTWMCTZKK-UHFFFAOYSA-N 418.906 3.918 0 50 HHAA COc1cc2c(cc1NC(=O)CN1C(=O)c3ccccc3C1=O)oc1ccccc12 3517372 YSPYLDQAXCRFIS-UHFFFAOYSA-N 400.390 3.829 0 50 HHAA CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1cccs1 4516583 OULGYAGECFVQKU-UHFFFAOYSA-N 404.517 3.775 0 50 HHAA O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)N1CCN(c2ccccc2)CC1 8617196 ULLDOWCFJWUKBH-UHFFFAOYSA-N 413.934 3.566 0 50 HHAA O=C(NC[C@H]1CCC2(CCN(Cc3ccc4cccnc4c3)CC2)O1)c1ccco1 11785544 FBJOABQZRNRNDE-HXUWFJFHSA-N 405.498 3.771 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 11935756 KHZKUQAPSQJZNT-CQSZACIVSA-N 404.898 3.651 0 50 HHAA CCCCn1c(CN2CCCC[C@@H]2COC)cnc1S(=O)(=O)C1CCCCC1 11936741 IHANOOFGVIYUOF-GOSISDBHSA-N 411.612 3.791 0 50 HHAA O=C1C[C@@H](C(=O)NC[C@H]2Cc3cc(F)cc(-c4cccnc4)c3O2)c2ccccc21 11995474 OYJNDJWQMQRPOE-DYESRHJHSA-N 402.425 3.678 0 50 HHAA CCOC(=O)N1CCC(N(C)CC2CCN(CCc3ccc(F)cc3)CC2)CC1 12198144 AQTDOSYPRUHAHB-UHFFFAOYSA-N 405.558 3.633 0 50 HHAA CC1(C)C[C@H](NC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CCO1 12319120 YWAVZMYEUHMVHK-HXUWFJFHSA-N 423.557 3.812 0 50 HHAA CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccc3nonc23)CC1 12571145 XATFIYYJCVLRFH-UHFFFAOYSA-N 409.486 3.837 0 50 HHAA CN(C)[C@@H]1CCN(C(=O)c2cccc(OC3CCN(CCc4ccccc4)CC3)c2)C1 12758340 MPPWLMJTSPLRDJ-HSZRJFAPSA-N 421.585 3.549 0 50 HHAA CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1nccs1)CC2 14732457 CJJBQFDHXUOOSJ-UHFFFAOYSA-N 420.538 3.725 0 50 HHAA Cc1cc2c(=O)n(NC(=O)c3cc(Br)cs3)c(=S)[nH]c2s1 17082328 MZLGMWKSTXJZEB-UHFFFAOYSA-N 402.320 3.637 0 50 HHAA CSc1cccc(NC(=O)NCCNc2cc(-n3cnc(C)c3C)nc(C)n2)c1 82230405 NXPFJPKYKDKWGI-UHFFFAOYSA-N 411.535 3.543 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)cc1 169758359 GDXVZKMTBMYFJT-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA CCCC[C@H](CC)Cn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 170624339 FVGBNVFBRKKTCI-INIZCTEOSA-N 407.518 3.570 0 50 HHAA CCOc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)CC2)n1 170624937 BIIDITDSWPNINO-HUUCEWRRSA-N 421.328 3.634 0 50 HHAA CCOc1cc(CNc2cccc(OCC(F)F)n2)ccc1O[C@H](C)C(=O)N(C)C 253417006 AQFWIWNFCGCMHO-CQSZACIVSA-N 423.460 3.592 0 50 HHAA COc1ccc(-c2cc3n(n2)[C@H](NCc2ccccc2C(F)(F)F)CNC3=O)cc1 263615545 CXRWLYOGMOTSNE-IBGZPJMESA-N 416.403 3.609 0 50 HHAA CCCC[C@H](NCc1ccc(OC)c(OCCN2CCOCC2)c1)c1cccnc1 952971781 UHCQUXMMZCKFJJ-QFIPXVFZSA-N 413.562 3.822 0 50 HHAA CC[C@H](NC(=O)C1(N2CCCCC2)CCCCC1)c1ccc(S(C)(=O)=O)cc1 952981227 SGKOJBHVTQEXSW-FQEVSTJZSA-N 406.592 3.846 0 50 HHAA O=C(CCC(=O)N1CCCN(Cc2cccc(F)c2)CC1)Nc1ccc2c(c1)CCC2 1506398373 BDRFNKDYJYZPJQ-UHFFFAOYSA-N 423.532 3.768 0 50 HHAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccc(OC)c3ccccc23)cc1OC 1529190690 MCNNUDNCVYVSEL-JWQCQUIFSA-N 423.509 3.800 0 50 HHAA CC=CC[C@@H](CO)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 1857530856 XKIDYCMBYZHXGI-JTQLQIEISA-N 423.222 3.650 0 50 HHAA COC(=O)c1cccc2c(C(=O)N3CCC(CN4C[C@H](C)O[C@H](C)C4)CC3)cccc12 1875327877 OACKVUCGOJPFKE-HDICACEKSA-N 424.541 3.588 0 50 HHAA Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3cn(-c4ccc(Cl)cc4)nn3)C2)n1 1875338292 RVZMTBVXIRSOHF-QGZVFWFLSA-N 412.925 3.530 0 50 HHAA CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Br)cc1 832947 WLHSHOJSALOHQR-HNNXBMFYSA-N 409.305 3.662 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccccc2F)cc1 869440 OTGAOLDCRZZFPW-UHFFFAOYSA-N 404.507 3.588 0 50 HHAA O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 973397 FUUZSNZRIOOAPX-UHFFFAOYSA-N 423.332 3.876 0 50 HHAA Cc1ccc(OCc2nnc(SCC(=O)NC3CC3)n2-c2ccccc2)cc1C 1160175 JXHJNYSTLOTSBJ-UHFFFAOYSA-N 408.527 3.834 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1cccc(Cl)c1 1171535 VIYSNSMSFKMHKC-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 11753676 ZSCILSLDDOSZHL-INIZCTEOSA-N 424.394 3.779 0 50 HHAA O=C(CSc1ccncc1)N1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 11785442 QJUMSEKFQRYVLB-UHFFFAOYSA-N 405.523 3.588 0 50 HHAA O=C(CCC1CCN(Cc2ccc(O)cc2)CC1)N1CCN(c2ccccc2)CC1 12439450 XOJAHHNAJVBGMO-UHFFFAOYSA-N 407.558 3.733 0 50 HHAA CCOc1ccc(Nc2nc([C@]3(C)C[C@@]4(C[C@@H](C)OC4=O)C(=O)O3)cs2)cc1 12664193 WRSQOWMVQOLIQH-OITMNORJSA-N 402.472 3.769 0 50 HHAA biogenic O=C(O)[C@@H]1CCCN1C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 14632668 BHVHQIAGXJUFQW-QHCPKHFHSA-N 420.509 3.949 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3C)n2)ccc1C 16651949 RSSWIEMFWMTTRM-UHFFFAOYSA-N 424.888 3.778 0 50 HHAA CC1CCN(c2nnnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)CC1 19940188 SDCZPWRGZHMVCQ-UHFFFAOYSA-N 424.574 3.586 0 50 HHAA CC(C)N1CCC(N2CCN(Cc3ccc(-c4ccco4)cc3)C[C@@H]2CCO)CC1 95347067 HJJOAPMOSNFVMN-DEOSSOPVSA-N 411.590 3.688 0 50 HHAA CC(C)(C)C(=O)Nc1c(I)cnc2cc([Si](C)(C)C)oc12 169794232 NQGXPZFYJZPDJR-UHFFFAOYSA-N 416.335 3.962 0 50 HHAA COc1cc(C(=O)N[C@H]2CC[C@H](O)CC2)ccc1OC1CCN(C2CCCC2)CC1 299872940 OZDURRICBRPXGZ-KESTWPANSA-N 416.562 3.514 0 50 HHAA Cc1ccc(N2CCC[C@@H](Nc3ncnc4c3c(Br)nn4C)C2)cc1 301464388 PGVKSTDEPZHRDP-CYBMUJFWSA-N 401.312 3.515 0 50 HHAA O=C(NCc1nnc(-c2ccccc2)s1)C1(c2cncc(Br)c2)CC1 409833226 PHTKQMIJTJUACV-UHFFFAOYSA-N 415.316 3.711 0 50 HHAA Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCO[C@H](Cn4cccn4)C3)cc12 426370185 ASKNEANOLTZVMG-SFHVURJKSA-N 421.526 3.523 0 50 HHAA CC(C)n1cc(C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cn1 468797364 CBGXNFPLMXIIPO-HNNXBMFYSA-N 401.486 3.668 0 50 HHAA O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)N1CC(O)(C2CC2)C1 473382238 CQKGBDJFBVORFM-UHFFFAOYSA-N 424.504 3.744 0 50 HHAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1 952972252 VEHPQCLHELZZJX-AWEZNQCLSA-N 408.433 3.962 0 50 HHAA Cc1cc(C)c(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc1CN1CCC(C)CC1 1529196936 JUBROFSNVHPVIW-AOYPEHQESA-N 407.602 3.966 0 50 HHAA O=C1CCO[C@H]2CN(Cc3c(Cl)cccc3Cl)C[C@@H]2N1Cc1ccccc1 1857719910 XEXIXHVSPGILQQ-PMACEKPBSA-N 405.325 3.995 0 50 HHAA Cn1ncc2c(N[C@@H]3CCCSc4ccc(Br)cc43)[nH]c(=N)nc21 1875334815 GJSDCBRYFBLKIS-GFCCVEGCSA-N 405.325 3.577 0 50 HHAA COC(=O)c1c(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)sc2c1CCC2 631269 IUGTZPWDHWHPDA-LJQANCHMSA-N 424.478 3.667 0 50 HHAA COC(=O)COc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 946462 MCWTWECOHQKHFB-UHFFFAOYSA-N 405.200 3.900 0 50 HHAA Cc1ccccc1OCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 1178009 MUCRPUNCHJSUSG-UHFFFAOYSA-N 404.422 3.963 0 50 HHAA CSc1nnc2c(n1)O[C@H](c1cccnc1)Nc1ccc(Br)cc1-2 1184880 XXSAISYFPFUDCQ-CQSZACIVSA-N 402.277 3.921 0 50 HHAA COc1cc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)ccc1OCCC(C)C 1303134 QAFZOISNMOIRFM-XSFVSMFZSA-N 421.522 3.799 0 50 HHAA CC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)Nc1ccc(Br)cc12 4090751 LTXQVCNJSCAUTA-HXUWFJFHSA-N 410.271 3.531 0 50 HHAA biogenic CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CN(CC)CC 5048021 VSMNDAQVHUFTBK-UHFFFAOYSA-N 420.531 3.889 0 50 HHAA Cc1ccsc1CN(C(=O)c1ccc(OCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 6810240 WGAMLYVPFHOBLQ-GOSISDBHSA-N 421.584 3.921 0 50 HHAA C[C@H](CNC(=O)CN1CCCCC1)Oc1cccc(CN(C)Cc2ccsc2)c1 11783224 MFHYMMHOTKVIML-LJQANCHMSA-N 415.603 3.750 0 50 HHAA COCc1ccc(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)o1 12054827 WFYLTHKFLRXRSB-QFIPXVFZSA-N 404.457 3.833 0 50 HHAA O=C(C[C@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O)N1CCCCCC1 12162694 OVSYZUSBTWWWOX-XMMPIXPASA-N 414.521 3.948 0 50 HHAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)C2CCOCC2)CC1 12304230 CDGMTSWNGSKFNX-XMMPIXPASA-N 414.590 3.641 0 50 HHAA Cc1nc(CN(C)C(=O)c2cccc(OC3CCN(C(=O)C4CC4)CC3)c2)cs1 12313860 JVBIKZXSHPJVHG-UHFFFAOYSA-N 413.543 3.504 0 50 HHAA Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 12431151 COXYVKGMEWBGST-NRFANRHFSA-N 400.526 3.999 0 50 HHAA CCOC(=O)C[C@H]1CCCCN1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C 12457469 DHFDKUAEXIXZER-GOSISDBHSA-N 400.475 3.744 0 50 HHAA CN(C)[C@H]1CCN(C(=O)c2cccc(OC3CCN(CCc4ccccc4)CC3)c2)C1 12758346 MPPWLMJTSPLRDJ-QHCPKHFHSA-N 421.585 3.549 0 50 HHAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCCSC)c2C2CC2)n1 14952799 UIIJBZPGHICKCU-UHFFFAOYSA-N 423.542 3.698 0 50 HHAA Cc1cc2nc(N3CCC(C(=O)N[C@@H]4CCOC(C)(C)C4)CC3)nc(C)c2cc1C 14966935 OAYSBPWCAMIDRE-LJQANCHMSA-N 410.562 3.845 0 50 HHAA O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1cccnc1Cl 22752637 ZFQLJQAABCBLHV-UHFFFAOYSA-N 413.736 3.798 0 50 HHAA CCOc1cc(C(=O)O)cc(I)c1OC(=O)c1ccccc1 227156959 QKTYVJWTLRHCNY-UHFFFAOYSA-N 412.179 3.607 0 50 HHAA CC[C@H](C)[C@@H](CO)NC(=O)CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OC 230206931 JJRQGLSACBUHNQ-HRAATJIYSA-N 423.509 3.924 0 50 HHAA biogenic O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 245264290 CNFUCDAEWPRKBG-JBYIUTFZSA-N 422.550 3.788 0 50 HHAA CC(C)[C@@H](Oc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N(C)C 253418908 DOFKPEUBFWESRR-LJQANCHMSA-N 424.950 3.657 0 50 HHAA O=C(Nc1cccc(C(F)(F)F)c1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263616564 JLRYKAMENNBUFA-MRXNPFEDSA-N 406.339 3.960 0 50 HHAA C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 435192565 QXSUWEFMFBMIEM-CQSZACIVSA-N 421.544 3.517 0 50 HHAA CC1(C(=O)N2CC[C@@](c3nc(-c4ccccc4)no3)(C(F)(F)F)C2)CCC(=O)CC1 952892911 JQXNNWDWJARFEH-HXUWFJFHSA-N 421.419 3.918 0 50 HHAA COc1ccc2cc([C@@H](C(=O)O)N3CCC(N4C[C@H](C)O[C@H](C)C4)CC3)ccc2c1 1506417740 OQFGCNYRNQQPDL-MFEFFIJZSA-N 412.530 3.548 0 50 HHAA COc1cc2c(cc1-c1nccn1C1CCN(Cc3cccnc3)CC1)OCCO2 1857692184 RXMPETUXEBYSED-UHFFFAOYSA-N 406.486 3.562 0 50 HHAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(-c3ccccc3)n2C)[C@H]1c1ccccc1 1857734764 QNMDBTXFAGYUMF-ZEQRLZLVSA-N 403.526 3.836 0 50 HHAA COc1ccc(C(=O)N[C@](C)(C(=O)O)c2cc(F)ccc2F)cc1-c1ccccn1 1875263911 XZMJOMPYOLLTET-QFIPXVFZSA-N 412.392 3.765 0 50 HHAA Cc1ccc2c(-c3nc(-c4ccncc4)nn3[C@H]3CCS(=O)(=O)C3)csc2c1 1875347999 FEUWTXBCKYAJDG-HNNXBMFYSA-N 410.524 3.890 0 50 HHAA CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c2ncccc12)[C@@H](O)c1ccccc1F 2325749117 RCHVUTWFQZGCLF-APWZRJJASA-N 415.852 3.594 0 50 HHAA CCOc1ccc(C(=O)COC(=O)c2cccc(I)c2)cc1 820315 HXHMYQRDRNKGDD-UHFFFAOYSA-N 410.207 3.730 0 50 HHAA Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1C 1143054 PLJRXJSONJBGNU-UHFFFAOYSA-N 401.315 3.869 0 50 HHAA CSc1nnc2c(n1)O[C@H](c1ccc(OC(C)=O)cc1)N(C(C)=O)c1ccccc1-2 2977925 NMWLHNRGORMMPA-HXUWFJFHSA-N 422.466 3.630 0 50 HHAA O=C(CCC(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1)c1ccc(F)cc1 11661005 JBDCALGKAAPDQC-HSZRJFAPSA-N 419.443 3.911 0 50 HHAA Cc1ccc(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c(C)c1 11697180 PTEDFXMQJKSTCG-UHFFFAOYSA-N 402.502 3.503 0 50 HHAA COCCN1CCC(CN(C/C=C/c2ccc(OC)cc2)Cc2ccncc2)CC1 12075408 AYFXAWPSGTXAOL-ONEGZZNKSA-N 409.574 3.964 0 50 HHAA O=C(NCc1ccsc1)c1cn(C2CCCCC2)cc(C(=O)N2CCCC2)c1=O 12245018 JLWPPBJGHDKKIL-UHFFFAOYSA-N 413.543 3.581 0 50 HHAA CC(C)Oc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)C2)cc1 12298934 GOKBYNKEMMJYLC-HXUWFJFHSA-N 412.505 3.710 0 50 HHAA CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cnc3ccccc3c1)C2 14750881 ICXURLNZJVHIRF-HXUWFJFHSA-N 417.557 3.724 0 50 HHAA CCn1cc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cn1 14966570 NYZRZCHSOKSAFF-KRWDZBQOSA-N 400.954 3.616 0 50 HHAA CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C(=O)N1CCCC1 16650792 MFVUHOIQFBGMRC-UHFFFAOYSA-N 424.975 3.776 0 50 HHAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCCC[C@H]1CCn1ccnc1 19791363 RDZNZWCRUXMGAK-INIZCTEOSA-N 416.428 3.813 0 50 HHAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C2CSCCSC2)C1 55369457 ZXYPIVSTGHBANN-OAQYLSRUSA-N 409.617 3.949 0 50 HHAA CSc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 110186628 HWZMFFRHQYRTRY-INIZCTEOSA-N 422.554 3.675 0 50 HHAA C[C@H](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)CC(=O)N1C[C@H](C)C[C@@H](C)C1 226321583 MIBHUKVLLJWZEP-GUDVDZBRSA-N 419.997 3.909 0 50 HHAA Cc1cccc(NC(=O)[C@@H]2CCCN(C[C@@H](O)Cc3ccc4ccccc4c3)C2)n1 252540180 OVGZOBWFBNCWGD-PKTZIBPZSA-N 403.526 3.797 0 50 HHAA CCCCCc1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc3cccnc23)cc1 439190255 KCHSRTFJUASPET-UHFFFAOYSA-N 418.497 3.661 0 50 HHAA CC(C)(C)Oc1cc(F)ccc1NC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 488958939 XVXNYMNQBXDUOJ-CZNHBJKYSA-N 400.494 3.633 0 50 HHAA O=S(=O)(C1=Cc2ccc(OC(F)F)cc2CC1)N1CCCC[C@H]1c1cc[nH]n1 796033563 RARJUMUAUVLYER-SFHVURJKSA-N 409.458 3.855 0 50 HHAA C[C@H](Nc1ccc(S(C)(=O)=O)cc1F)c1cc(F)ccc1N1CCC(O)CC1 807968163 PSOTZLSMBKVGEO-ZDUSSCGKSA-N 410.486 3.503 0 50 HHAA CN1C(=O)C[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c2ccccc21 1320126939 GYBXQTYMUJBJPX-IEBWSBKVSA-N 421.545 3.709 0 50 HHAA CN(C)c1ccc(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cn1 1704306563 WOEIXJOXQVJIDQ-VWLOTQADSA-N 413.525 3.725 0 50 HHAA Cc1cnn(Cc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)cc2)c1 2325743214 KIZYGJIRQQSHHC-XGAFWQRZSA-N 422.916 3.894 0 50 HHAA Cc1ccnc([C@H](NC(=O)c2c(OCc3ccccc3)c(=O)ccn2C)C2CC2)c1 2356169383 ACFPVYDTOYHUPB-OAQYLSRUSA-N 403.482 3.549 0 50 HHAA CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2 597316 LWUDDYHYYNNIQI-ZDUSSCGKSA-N 418.291 3.881 0 50 HHAA in-man C/C(Cl)=C/Cn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 662949 OBRNDKRFGXUWIC-YFHOEESVSA-N 411.314 3.512 0 50 HHAA biogenic COc1ccc(CNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 1172159 HMTFLQFFBSJUGA-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA COc1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1 1190950 ACSYWTCQQREDCK-UHFFFAOYSA-N 424.522 3.567 0 50 HHAA CC1(C)C[C@H](n2c(NCCO)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 2193342 JTZGOIUBGRPUSD-GOSISDBHSA-N 423.557 3.813 0 50 HHAA Cn1nccc1C(=O)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 2782134 KDWUETRLODMNLT-UHFFFAOYSA-N 423.325 3.540 0 50 HHAA COCCN1C=C(C(=O)OC)C(c2cccc(Oc3ccccc3)c2)C(C(=O)OC)=C1 2822425 XRJBKUANRVFBIZ-UHFFFAOYSA-N 423.465 3.638 0 50 HHAA COCc1ccc(CN2CC[C@@]3(CCCN(Cc4cccc(F)c4F)C3=O)C2)o1 11840148 AMNFINGMRYOHAW-QFIPXVFZSA-N 404.457 3.719 0 50 HHAA O=C(Nc1cccc(N2CCNC2=O)c1)[C@@H]1CC12CCN(Cc1ccsc1)CC2 11841269 FLJUGRMWZQIZJI-IBGZPJMESA-N 410.543 3.519 0 50 HHAA COc1ccc(CNCCc2ccc(C)cc2)cc1OC[C@H](O)CN1CCCCC1 11998426 CKUCZFQGCUHIKI-HSZRJFAPSA-N 412.574 3.562 0 50 HHAA Cn1cc(CN2CCC[C@H](C(=O)c3ccccc3)C2)c(-c2ccc3c(c2)OCCO3)n1 12056114 MKRVPXIFQNTXNH-FQEVSTJZSA-N 417.509 3.953 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cccn3-c3cccnc3)C2)cc1OC 13594958 QHSQMXUGWJUSOH-IBGZPJMESA-N 405.498 3.984 0 50 HHAA COc1ccc(-c2noc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1 13607322 XKQFDGCITNPJKH-UHFFFAOYSA-N 414.270 3.531 0 50 HHAA CCOC(=O)c1nn(CCC(C)C)c2c1CN(Cc1cccc3nccnc13)CC2 14741462 GOHKTQTWMHQMOP-UHFFFAOYSA-N 407.518 3.607 0 50 HHAA CSC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1 14748968 GZIZGCBMGKEJHQ-LJQANCHMSA-N 417.619 3.735 0 50 HHAA CC(=O)N1CCC(N2CCC([C@@H]3CCN(Cc4ccc(Cl)cc4)C3)CC2)CC1 19838032 XZZLDMDIIXNKMF-OAQYLSRUSA-N 403.998 3.885 0 50 HHAA CCn1ncc(NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)c1C 20614235 KHHJNTHFSVJLPX-UHFFFAOYSA-N 406.412 3.799 0 50 HHAA O=C1c2cccc(N3CCN(Cc4ccccc4)CC3)c2C(=O)N1Cc1ccsc1 64093176 PJLKFAXQXZRCSO-UHFFFAOYSA-N 417.534 3.867 0 50 HHAA COc1ccc(OC)c(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCCCCC3)c2)c1 71708012 SJNUPEVEYIHCSI-UHFFFAOYSA-N 419.499 3.634 0 50 HHAA CC(C)(C)CC(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1OCc1cccnc1 72133931 GJGLXIZJPXRDON-PKTZIBPZSA-N 407.558 3.895 0 50 HHAA COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4cc(F)ccc4Cl)C3)[nH]n2)cc1 169759537 PYVVTNNNZLZWKK-HNNXBMFYSA-N 414.868 3.887 0 50 HHAA CC(C)(C)C(=O)Nc1c([Si](C)(C)C)cc(I)nc1Cl 169794033 RNWJJAPSSGPPDV-UHFFFAOYSA-N 410.759 3.869 0 50 HHAA in-vitro COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H]2CCCC2=O)cc1OC 170606039 KFSCPFFUEZVRIT-QGZVFWFLSA-N 419.481 3.656 0 50 HHAA COC(=O)c1nc(NC(=O)c2n[nH]c3ccccc23)sc1-c1ccccc1OC 170625110 QMYIUEZDEYHWIE-UHFFFAOYSA-N 408.439 3.734 0 50 HHAA Cc1nccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)n1 225718745 NRWJUFXRKPPYAS-SFHVURJKSA-N 416.909 3.873 0 50 HHAA COc1cccc(N2C(=O)[C@H]3[C@@H](c4cccs4)N(c4ccccc4)O[C@H]3C2=O)c1 229968154 CXQYYROFFWGQCQ-XUVXKRRUSA-N 406.463 3.808 0 50 HHAA aggregator Cc1sc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C(=O)NC2CCCCC2)c1C 239222048 UGVOMYWDFCWPOV-DFEHZGFQSA-N 416.543 3.889 0 50 HHAA Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)n1 253428277 JPTDNLYLRMPBIK-YZGWKJHDSA-N 412.534 3.580 0 50 HHAA Cc1ccc(SC2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)cc1 825181703 YHKLSNRLRAEQOY-GOSISDBHSA-N 409.555 3.522 0 50 HHAA CC(=O)Nc1ccccc1SCC(=O)N[C@@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 827989647 KPYMNRBWUWNJQO-KRJAUBJISA-N 402.560 3.573 0 50 HHAA Cc1ccc(-c2cc(CN3C[C@@H]4CC[C@H]3CN(C(=O)c3ccccn3)C4)on2)cc1 1565509899 XKJOQYYMJPNTOF-ICSRJNTNSA-N 402.498 3.782 0 50 HHAA CCC[C@]1(CO)CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)C[C@@H]1O 1857724914 RWHXITXBNHJQIJ-UKILVPOCSA-N 419.525 3.525 0 50 HHAA CC[C@](O)(CNC(=O)N[C@H]1CCc2c(O)cccc21)c1ccc(Br)cc1 1875261837 KRHYDDANGIBFEZ-PXNSSMCTSA-N 419.319 3.739 0 50 HHAA COCCN(C)c1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)nc1 1875262321 MVMNHLMRSLVZEY-UHFFFAOYSA-N 423.517 3.909 0 50 HHAA CN1C(=O)C(C)(C)c2cc(-c3nc(Cc4cccs4)nn3-c3ccnnc3)ccc21 2325872709 KLORQBVLNXCQTE-UHFFFAOYSA-N 416.510 3.631 0 50 HHAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(COc2ccccc2F)c1 625074 GGWHLJILBKXVOY-HXUWFJFHSA-N 414.433 3.604 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 789842 HHPULQZYWGZUDS-UHFFFAOYSA-N 422.919 3.542 0 50 HHAA CC(C)c1nnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 921102 YBXBPHLEIVPWTH-KRWDZBQOSA-N 420.494 3.508 0 50 HHAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2cccc(Br)c2)n2ncnc2N1 1062046 MMVPJSQMXFLOJJ-SFHVURJKSA-N 424.302 3.646 0 50 HHAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(NC(=O)OCc2ccccc2)cc1)C(=O)O 2391118 VEVIIGJEOXYKAV-SFHVURJKSA-N 414.458 3.956 0 50 HHAA Brc1ccc(OCn2ccc(-c3nc4c5ccccc5ncn4n3)n2)cc1 2808152 DHPKEKCZTLSIGA-UHFFFAOYSA-N 421.258 3.940 0 50 HHAA CCc1c2c(nc3sc(C(=O)NC[C@H]4CCCO4)c(N)c13)CC(C)(C)CC2=O 2827217 QTDWUZAEXPWZTI-LLVKDONJSA-N 401.532 3.505 0 50 HHAA CCCNCc1cc(OC)c(OCC(=O)Nc2ccccc2)cc1Br 2860909 QTPDFQROBHOONI-UHFFFAOYSA-N 407.308 3.975 0 50 HHAA COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c(F)c1F 2890717 DRBCBUUCIQNXIV-ZCFIWIBFSA-N 416.396 3.789 0 50 HHAA COc1ccc([C@@H](C)NC(=O)c2cccc(I)c2)cc1OC 4869869 PDACQHMOEGBARU-LLVKDONJSA-N 411.239 3.799 0 50 HHAA C[C@H](CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1ccccc1 12297655 KBLVKOWZSKRGLE-GOSISDBHSA-N 406.526 4.000 0 50 HHAA O=C(CCc1[nH]nc2c1CCCC2)N[C@H]1CCCc2c1cnn2-c1ccccc1F 12316692 CZILDDLRPFCOLN-SFHVURJKSA-N 407.493 3.740 0 50 HHAA CC[C@H](COC)NC(=O)c1ccc(OC2CCN(C3CCCC3)CC2)c(OC)c1 12756557 OXUKFFBCQVIXHI-GOSISDBHSA-N 404.551 3.636 0 50 HHAA COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)o1 13116184 PTCFPQFBIUFIAV-UHFFFAOYSA-N 413.499 3.641 0 50 HHAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 48985168 NACKUNMZXBUXAD-INIZCTEOSA-N 400.442 3.812 0 50 HHAA O=C([C@@H](O)c1ccc(Cl)cc1)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91325838 OWZVZYKTAOOQIB-FQEVSTJZSA-N 404.938 3.547 0 50 HHAA COC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(CCC(C)C)c2=O)cc1 100543118 MZHDNRUKXNYTOW-UHFFFAOYSA-N 408.454 3.792 0 50 HHAA COCCn1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)c2cc(Cl)ccc21 169680685 BXWNTNUOICLLTI-JXFKEZNVSA-N 403.954 3.935 0 50 HHAA biogenic CCOc1ccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(OC)cc4)n[nH]3)C2)cc1 169753958 QKGIJFVUYUFUCN-IBGZPJMESA-N 420.513 3.883 0 50 HHAA Cc1nc(N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)cc(C(F)(F)F)n1 169772375 RRGVMDPPHCAGLX-UHFFFAOYSA-N 412.843 3.785 0 50 HHAA CCCc1nc(C)c(C(=O)N2C[C@@H](OC)C[C@@H]2c2nc(-c3cccnc3)c[nH]2)s1 170591179 BLNBVMSJBHQAHC-DOTOQJQBSA-N 411.531 3.791 0 50 HHAA CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 170597467 FLBPPPZJVZBPKC-GOTSBHOMSA-N 423.557 3.691 0 50 HHAA COc1cc(C(=O)OCC(=O)N(C)c2nccs2)cc(Cl)c1OCC(C)C 170616632 ZNZMHQHEZMGHTD-UHFFFAOYSA-N 412.895 3.660 0 50 HHAA Cc1noc2ncc(NC(=O)[C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cc12 463600987 RYWKMBFLCRAUST-QGZVFWFLSA-N 421.284 3.850 0 50 HHAA CC(=O)N1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)CC12CCCCC2 498612950 LEQXYSQVUOUQOR-UHFFFAOYSA-N 400.910 3.737 0 50 HHAA O=C1C[C@@H](CNS(=O)(=O)c2cccc3cccc(Cl)c23)CN1C1CCCC1 828247853 AXDZJGUSQPVLOC-AWEZNQCLSA-N 406.935 3.563 0 50 HHAA CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3CCC)cc1 952869730 MGDYJSHJYVQQPT-UHFFFAOYSA-N 414.531 3.695 0 50 HHAA Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)n1 1318610969 OOHOOKWHBKZJOR-KRWDZBQOSA-N 412.921 3.887 0 50 HHAA Cc1cc(N2CCC(c3nnc(CO)n3C)CC2)c2ccc(C(F)(F)F)cc2n1 1704299806 SUPXMXQECQULMO-UHFFFAOYSA-N 405.424 3.567 0 50 HHAA COc1ccc(NC2(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)CCCCC2)cc1 1704302467 LYRPDZSBAIKJDY-KNQAVFIVSA-N 409.530 3.579 0 50 HHAA Oc1nc(C2CC2)nc2c1CC[C@@]21CCCN(Cc2cnn(-c3ccccc3)c2)C1 1857731974 WIPJPKVTKPTUDC-XMMPIXPASA-N 401.514 3.725 0 50 HHAA Cc1ccccc1-c1noc(CN2CCN(C(=O)NCC[C@@H]3C[C@H]4CC[C@H]3C4)CC2)n1 1875252256 FFUJHIUSOPELOU-SLFFLAALSA-N 423.561 3.699 0 50 HHAA O=C1COc2cc(NCc3cccc(C(=O)Nc4cccnc4)c3)c(Cl)cc2N1 1875260999 UYAFSAJOHHYENB-UHFFFAOYSA-N 408.845 3.930 0 50 HHAA Cc1cnccc1C(=O)N[C@@H]1CCC[C@@H]1Cn1cc(-c2cnc3ccccc3c2)nn1 1875337937 JRQRKJGEUDJIPG-XMSQKQJNSA-N 412.497 3.795 0 50 HHAA COc1cc(-c2onc(N(C)CCCc3c(C)n[nH]c3C)c2C(=O)O)ccc1F 2356137962 CFZJRRZIYBHETR-UHFFFAOYSA-N 402.426 3.596 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc4ccccc4n3)CC1)OCC2 2356143620 PPXPXJJVFOHQQI-UHFFFAOYSA-N 418.493 3.956 0 50 HHAA CCOC(=O)c1cc(CC)sc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O 916799 MECSUGCYKOEZDW-HNNXBMFYSA-N 404.513 3.929 0 50 HHAA CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2N)c1 1049726 LETILRDWOPJMFK-UHFFFAOYSA-N 421.885 3.581 0 50 HHAA COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)c1 1066930 SVKCEJOXYOSSSK-UHFFFAOYSA-N 419.812 3.975 0 50 HHAA COc1cc(NC(=S)NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1ccco1 2244379 GYBANUBPLDOLKI-UHFFFAOYSA-N 413.430 3.806 0 50 HHAA aggregator O=C(COc1ccccc1C(=O)NC[C@H]1CCCO1)Nc1ccc(Cl)cc1Cl 2876232 IWNKTKSLJFDKJK-CQSZACIVSA-N 423.296 3.920 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccccc2)cc1 2979699 IMLJVIMBYNSGTF-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA CCCc1nnc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)s1 4803904 PKPAHVWHTHACNH-UHFFFAOYSA-N 408.483 3.659 0 50 HHAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2cccs2)CC1 11661315 YDPYVDZGHLSHOI-UHFFFAOYSA-N 408.527 3.993 0 50 HHAA CC(C)c1cc(C(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)on1 12308966 JSUSJKVXOGJOPK-GOSISDBHSA-N 412.534 3.527 0 50 HHAA Cn1cc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c(-c2ccccc2)n1 12571016 KMQIXSGUZLOZHE-SFHVURJKSA-N 406.505 3.868 0 50 HHAA COc1cccc(C[C@@]2(CO)CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)c1 12713538 OUGOFHJTTPSDML-DEOSSOPVSA-N 415.530 3.538 0 50 HHAA CN(C)C(=O)N1CCC(C(=O)N2CCC[C@H](C(=O)c3cccc4ccccc34)C2)CC1 13595032 VVKYEOQFDTVCTI-FQEVSTJZSA-N 421.541 3.655 0 50 HHAA CN(Cc1cccc(OCCO)c1)CC1CCN(CCc2cccc(F)c2)CC1 14977319 KLHFPXPXEUHANR-UHFFFAOYSA-N 400.538 3.583 0 50 HHAA CCc1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)Nc2ccc(SC)cc2)n(C)n1 14988594 RRACKKSRDZRORR-GOSISDBHSA-N 412.559 3.585 0 50 HHAA CCOC(=O)c1cc(C)sc1NC(=O)CSc1nnc(-c2ccccc2)n1C 17090720 OJUWBDSURBMMRC-UHFFFAOYSA-N 416.528 3.760 0 50 HHAA COc1cc(C)c(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1C 19840222 QSIXLAYGAROFPO-UHFFFAOYSA-N 409.486 3.826 0 50 HHAA O=C(Nc1cc(CNCc2ccsc2)cc(C(=O)N2CCCC2)c1)c1ccccn1 20271977 PCGBAZVUJMXBLL-UHFFFAOYSA-N 420.538 3.921 0 50 HHAA Cc1nc2nc3ccn(Cc4ccncc4)c(=O)c3c(-c3ccccc3Cl)n2n1 40398407 SPNKLNAZXUJBGE-UHFFFAOYSA-N 402.845 3.511 0 50 HHAA COCCCN1CC2(CCC1=O)CCN(Cc1c[nH]nc1C1CCCCC1)CC2 91305706 XLFIHJCSXVQMSL-UHFFFAOYSA-N 402.583 3.699 0 50 HHAA O=C(c1ccc(F)cc1Cl)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2 169764179 YTMRRNNYSCWSIO-UHFFFAOYSA-N 423.275 3.799 0 50 HHAA Cc1ccc(-c2ccc3nnc(CNC(=O)Cc4c(F)cccc4Cl)n3n2)cc1 169778472 UPCMBDJFOPMPME-UHFFFAOYSA-N 409.852 3.751 0 50 HHAA C[Si](C)(C)c1cc2cc(Br)cnc2n1S(=O)(=O)c1ccccc1 169794207 WVBKWSSKRHUTFF-UHFFFAOYSA-N 409.381 3.581 0 50 HHAA in-vitro CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(F)c(Br)cc2Cl)C1 225419959 SLEZZLAENLCACI-JTQLQIEISA-N 415.694 3.873 0 50 HHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)CCn1c(S)nnc1-c1ccc(C)cc1 225489802 XJMDHCZRXIIMJX-SFHVURJKSA-N 424.574 3.903 0 50 HHAA COc1cc(NC(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc(OC)c1 252515837 NYQFFWVOAXLMOK-RBUKOAKNSA-N 408.420 3.953 0 50 HHAA Cc1nc(-c2cccc(C(=O)Nc3cccc(C(=O)N4CCC[C@@H](O)C4)c3)c2)cs1 476373200 AXVYLUFMRTYMCR-HXUWFJFHSA-N 421.522 3.968 0 50 HHAA CC(C)n1cc(Br)cc1C(=O)NC[C@](C)(O)c1ccc(F)cc1F 743412976 PBYUSXJWPVNYKE-KRWDZBQOSA-N 401.251 3.747 0 50 HHAA COc1c(C)cc([C@H](C(=O)O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1C 1506420466 DWXRHEPWGBINLS-HXUWFJFHSA-N 412.534 3.635 0 50 HHAA CN(C)c1nccc2c1CN(c1nc3ccccc3c(=NCc3ccccc3)[nH]1)CC2 2325866519 NZDFKOYCAXOIFA-UHFFFAOYSA-N 410.525 3.688 0 50 HHAA N[C@H](CCNC(=O)NC1CCN(c2ccc(Cl)cc2)CC1)Cc1ccccc1 2325866569 PWJVHOIAWLPBBU-LJQANCHMSA-N 400.954 3.568 0 50 HHAA CCc1cccc(CC)c1N(COC)C(=O)Cn1cnc2cc(Cl)ccc2c1=O 626840 SHUWIIJOXXEFRZ-UHFFFAOYSA-N 413.905 3.812 0 50 HHAA O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCOCC1 640182 WFWDJXJKAOOERY-UHFFFAOYSA-N 404.919 3.684 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(F)cc2)cc1 655961 FRUJTOZPZLAGTF-UHFFFAOYSA-N 404.507 3.732 0 50 HHAA NC(=O)c1c(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)sc2c1CCCC2 814895 KMBDDAOVSFWXSK-CYBMUJFWSA-N 421.881 3.650 0 50 HHAA COc1cc(C(=S)N2CCCC2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 3004933 NYGYOQGJNYZPRQ-UHFFFAOYSA-N 411.932 3.888 0 50 HHAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(F)(F)F)cc1 4451153 NXGUFZBGEYIBFQ-CQSZACIVSA-N 404.410 3.509 0 50 HHAA Cn1c(SCc2cc3c(cc2Br)OCO3)nnc1-c1cccnc1 4511914 HMCMVTRXWQUHFS-UHFFFAOYSA-N 405.277 3.661 0 50 HHAA CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(F)(F)F)cc1 4987061 MTJNSAHLVKZGBM-OAHLLOKOSA-N 412.437 3.882 0 50 HHAA O=C(NCCCn1ccnc1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 6445956 GIVOPYHHSKYZIU-UKRRQHHQSA-N 424.452 3.622 0 50 HHAA Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(F)c(F)cc(F)c3F)n2)cc1 6767212 DCVQWVFSZODGPW-LLVKDONJSA-N 405.351 3.975 0 50 HHAA Cc1ccc(CSCC(=O)Nn2c(S)nc3sc4c(c3c2=O)CCC4)cc1 6788292 USUCGLCEAKZWRH-UHFFFAOYSA-N 417.581 3.547 0 50 HHAA CC(=O)c1cc(C(=O)NC[C@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)cs1 11974351 KXDZRRACDJXCJX-MRXNPFEDSA-N 413.886 3.795 0 50 HHAA Cc1cccn2cc(CN3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CCC3=O)nc12 12099914 KGNDZPZEBPKFTH-UHFFFAOYSA-N 418.541 3.815 0 50 HHAA O=C(CC1CCCC1)NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1 12245187 QCESGRMEUIBMLL-IBGZPJMESA-N 414.575 3.794 0 50 HHAA O=C(Cc1ccccc1)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 22147211 AJNYJOBUYVNTRQ-UHFFFAOYSA-N 413.521 3.826 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=C(C)C[C@H]4C3=O)cc2)c(OC)c1 100776073 UAZMXPZEVKSZJL-RBUKOAKNSA-N 420.465 3.802 0 50 HHAA O=C(Nc1ccc(Br)cc1Br)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 219630583 LCTZCMLCOCBJDW-QQXRRDQMSA-N 415.081 3.673 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 238900784 JYJQMKATQMDTHU-YPAWHYETSA-N 400.434 3.746 0 50 HHAA C[C@@H]1O[P@@](=O)([C@@H](NS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O[C@@H]1C 244884223 YHWCSVVPGYKABM-FIESOIEOSA-N 422.654 3.678 0 50 HHAA CCc1[nH]c(C(=O)N(C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)c(C)c1C(=O)OC 328591653 GNOUXKGRBFBCQD-INIZCTEOSA-N 417.575 3.636 0 50 HHAA O=C(NC[C@@H]1CCCn2ncc(C(=O)O)c21)OCC1c2ccccc2-c2ccccc21 725241140 ZFFQWLQPYIPAEG-HNNXBMFYSA-N 417.465 3.997 0 50 HHAA COc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)Nc4ccc(OC)cc43)cn2)c1 824788032 YGQSSHDBCQMDAB-IBGZPJMESA-N 419.437 3.956 0 50 HHAA Cc1nc2ccc(C(=O)N3[C@H]4CC[C@@H]3[C@@](CO)(Cc3ccccc3)C4)cc2nc1C 1857711471 BMUVVBDOCRVAFJ-ZWSUVBHBSA-N 401.510 3.845 0 50 HHAA C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nc2c(s1)Cc1ccccc1-2 1875264060 AULHQAKOCKTORR-GFCCVEGCSA-N 416.499 3.902 0 50 HHAA CCC(=O)N(c1nnc(S[C@H](C)C(=O)c2ccc(OC)cc2OC)s1)C1CC1 2325717145 PGICLBMQUDGLFL-LLVKDONJSA-N 421.544 3.824 0 50 HHAA CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1c(F)cccc1Cl 808877 BMWPVVXCNDZFQA-HNNXBMFYSA-N 415.804 3.843 0 50 HHAA biogenic,in-vitro O=C(c1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 899837 ATRAZEPUEFOINL-UHFFFAOYSA-N 420.534 3.641 0 50 HHAA CCc1cccc(CC)c1NC(=O)CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 1051793 KJRFWNWBCQVXBV-SFHVURJKSA-N 414.502 3.954 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@H]2CC(c3ccccc3O)=NO2)sc2c1CCCC2 1126400 CDHSWCPLSWIFOO-MRXNPFEDSA-N 414.483 3.641 0 50 HHAA COc1ccc([C@H](NC(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 1130822 XEHFXLNSOVWWTE-HSZRJFAPSA-N 414.461 3.587 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)c2ccccc2)cc1 1169842 UTLZBFKPPLVWPB-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA COC(=O)C(C)(C)[C@@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(=O)c1ccco1 2376602 NQARFGOSJHMIAE-HUUCEWRRSA-N 421.243 3.743 0 50 HHAA Cc1ccc(Cn2cc(-n3c(S)nnc3Cn3nc(C(F)F)cc3C)cn2)cc1 2808606 OCVHDYOTKXJXCV-UHFFFAOYSA-N 415.473 3.600 0 50 HHAA CCOc1ccc(N(CC(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(C)cc2)cc1 2965936 LMOUERBVZMHJCE-QGZVFWFLSA-N 404.532 3.504 0 50 HHAA O=C(CSc1nc(O)c(C/C=C/c2ccccc2)c(=O)[nH]1)Nc1ccccc1F 9731604 YKEMYCDKNFFTEO-RMKNXTFCSA-N 411.458 3.601 0 50 HHAA O=C(c1cn(C[C@H]2CCCN(Cc3cc4ccccc4s3)C2)nn1)N1CCCC1 11872192 BYKFZAPPYQAUTI-KRWDZBQOSA-N 409.559 3.641 0 50 HHAA CN(Cc1cscn1)C(=O)[C@@H]1CC12CCN(Cc1cn(C)c3ccccc13)CC2 11881538 ZXCYWQGODADRLZ-FQEVSTJZSA-N 408.571 3.896 0 50 HHAA O=C(COc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)c2sccc2Cl)C1 11998061 DSBYRDBVJFJHRI-QAPCUYQASA-N 418.946 3.934 0 50 HHAA C[C@H](c1ccon1)N(C)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 12041235 YOHOSSXKWIEJSP-HIFRSBDPSA-N 405.882 3.631 0 50 HHAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)CC2CCCC2)O3)cc1 12184467 PTGIXBYHUCOVGD-HXUWFJFHSA-N 413.539 3.757 0 50 HHAA COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2cc4ccccc4o2)O3)nn1 12333610 QJMLTCHWGPXTSK-KRWDZBQOSA-N 401.422 3.632 0 50 HHAA O=C(COc1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 13955682 RKJCIZILYCOLFC-UHFFFAOYSA-N 415.493 3.667 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3F)n2)ccc1C 16626345 IUAIMZBNUZWRTB-CQSZACIVSA-N 408.433 3.516 0 50 HHAA c1ccc([C@@H](CNCc2c[nH]nc2-c2cccc3ccccc23)N2CCOCC2)nc1 19636814 TYKAIDIEXITFKZ-XMMPIXPASA-N 413.525 3.788 0 50 HHAA Cc1ccc(-n2cc(CNCCN3CCC[C@@H](O)C3)c(-c3cccc(C)c3)n2)cc1 20995165 XCHNHACIKYPMIO-XMMPIXPASA-N 404.558 3.702 0 50 HHAA Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1 23340041 FCIXDBXTCRSKHK-QFIPXVFZSA-N 421.545 3.673 0 50 HHAA CC(C)c1ccc(N2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 40428081 OQDDZKJLDUIAKO-JOCHJYFZSA-N 419.569 3.944 0 50 HHAA O=C(NCCn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(F)c1 169754438 PTWJSEKKHUHQMQ-UHFFFAOYSA-N 420.400 3.503 0 50 HHAA COc1cccc(-c2noc(CC3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)n2)c1 169754829 KVNSOTRMSUOYTB-UHFFFAOYSA-N 420.513 3.906 0 50 HHAA COC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)cc3)nn2C)sc1C(C)C 170622222 ZUYMSGZBCBQECT-UHFFFAOYSA-N 414.487 3.715 0 50 HHAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCCO2 221951599 RRIDPFHSTKKKIJ-GXVVCJCISA-N 419.905 3.906 0 50 HHAA Cc1cccc(NC(=O)[C@H]2CCCN(C[C@@H](O)Cc3ccc4ccccc4c3)C2)n1 225396302 OVGZOBWFBNCWGD-GOTSBHOMSA-N 403.526 3.797 0 50 HHAA C[C@@H](NCc1cnc2ccc(Br)cn12)c1noc(Cc2ccccc2)n1 242140880 WQBYQDNFELPZCU-CYBMUJFWSA-N 412.291 3.921 0 50 HHAA Cc1ccc(-c2noc([C@H](C)NC(=O)c3cccc(-n4ccnc4O)c3)n2)cc1F 1466022372 WJFKTIIGPYRYCG-ZDUSSCGKSA-N 407.405 3.566 0 50 HHAA Cc1nc[nH]c1CN1C[C@H]2CN(Cc3nccs3)C[C@@]2(CCc2ccccc2)C1 1772804108 GIYWBGUILVVGFC-NZQKXSOJSA-N 407.587 3.741 0 50 HHAA CC1CCN(C(=O)COc2ccccc2-c2nccn2[C@@H]2CCC[C@H](CO)C2)CC1 1857728473 CQTWYCYQPVZMIS-VQTJNVASSA-N 411.546 3.911 0 50 HHAA Cc1c(F)cccc1C(=O)NC[C@H]1[C@H]2CN(Cc3ccc(Cl)o3)C[C@]23CC[C@H]1O3 1857739077 CGFGOGSYPCSHMG-ODULNIPZSA-N 418.896 3.790 0 50 HHAA CCN(CC)C(=O)c1sc(NC(=O)CCc2ccccc2)c(C(=O)OC)c1C 671200 MONQECQELHCBIP-UHFFFAOYSA-N 402.516 3.896 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl 857881 LEAZZOBMCFELQG-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA COC(=O)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1 1060608 XHKTVIXQNWYUHG-QGZVFWFLSA-N 415.902 3.558 0 50 HHAA CC(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 2869501 NZXPLOUEAGFVFB-JTQLQIEISA-N 415.298 3.502 0 50 HHAA CCSCc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C 2881675 ZECOFHGESXTXDK-UHFFFAOYSA-N 405.574 3.923 0 50 HHAA O=C(O)c1ccccc1S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 4037591 VHXSPZGBBNNSHL-AWEZNQCLSA-N 406.257 3.572 0 50 HHAA C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 11972674 FOBGLFLIBDWHAH-KDOFPFPSSA-N 409.873 3.684 0 50 HHAA Cc1nc2cc(NC(=O)[C@H]3CC34CCN(C(=O)c3ocnc3C)CC4)ccc2s1 12042612 ADNCMPDWHKTSTA-OAHLLOKOSA-N 410.499 3.782 0 50 HHAA CC1(C)C[C@@H](NC(=O)CC[C@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CCO1 12056752 SSGNJGMGWQNMBU-SQJMNOBHSA-N 408.542 3.885 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1cccc(OC)c1)C2 14733156 ARIKZDATTKTTEK-IBGZPJMESA-N 410.562 3.575 0 50 HHAA Cc1nc(N2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)cc(C(F)(F)F)n1 169772578 FHOTXDHFEZPRIL-AWEZNQCLSA-N 406.452 3.940 0 50 HHAA O=C(COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1cccs1 239306124 GLQHCYADLDGXKN-KPARWEMLSA-N 405.475 3.567 0 50 HHAA O=C(Nc1cccc(S(=O)(=O)N2CCC[C@@H](CC(F)(F)F)C2)c1)C(F)(F)F 1475412747 TZAAZJLUPUOOBU-JTQLQIEISA-N 418.359 3.541 0 50 HHAA Cc1noc(C)c1CCC(=O)NC[C@H](CN1Cc2ccccc2C1=O)c1ccccc1 1775972016 SGMAGOSAIIGJII-OAQYLSRUSA-N 417.509 3.780 0 50 HHAA Cn1cc(S(=O)(=O)NC(C)(C)c2nc3ccc(Cl)cc3o2)c(C(C)(C)C)n1 1875345629 DMBCBZSJIMYLLE-UHFFFAOYSA-N 410.927 3.726 0 50 HHAA C[C@@](NC(=O)c1ncnc2c1ccn2C1CC1)(C(=O)O)c1ccc(C(F)(F)F)cc1 1875347400 OAADGPRLXIYOCZ-IBGZPJMESA-N 418.375 3.515 0 50 HHAA O=C(CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21)NN1CCCNC1=O 2325829314 GAFDPFFXZMDZDE-UHFFFAOYSA-N 405.285 3.938 0 50 HHAA COc1cc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)cc1Cl 851361 ZCNGIHXFXQKRQP-SFHVURJKSA-N 416.861 3.617 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1178433 CDOOGSMZLKPPFD-UHFFFAOYSA-N 424.522 3.833 0 50 HHAA CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)c1 1425789 SMTHJAZFBVOOKQ-UHFFFAOYSA-N 415.298 3.699 0 50 HHAA Cc1ccc(OCc2ccc(C(=O)Nn3c(S)nc4ccccc4c3=O)o2)c(C)c1 2792567 CUUVSULSOWGUKR-UHFFFAOYSA-N 421.478 3.858 0 50 HHAA COC(=O)[C@@H](N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 4899668 SPYVYWCBBVEEBH-DEOSSOPVSA-N 411.505 3.766 0 50 HHAA CCn1c(SCc2ccccc2F)nc(=O)c2c(C(=O)OC)cc(C3CC3)nc21 8619573 KPLYHAUEVWSWPC-UHFFFAOYSA-N 413.474 3.907 0 50 HHAA CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 9356432 MEGUKJHMHUIJFC-UHFFFAOYSA-N 413.524 3.534 0 50 HHAA CC(C)CC[C@]1(C2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)NC(=O)NC1=O 11838806 NGUOOLNLNIBXKD-QNBZTBGESA-N 417.937 3.606 0 50 HHAA Cc1ccccc1CC(=O)N1CCC2(CC1)C[C@H]2C(=O)NCCCc1ccccc1 11973882 WENGYLYZRZYNNX-QHCPKHFHSA-N 404.554 3.915 0 50 HHAA CC1(C)[C@H]2CC=C(CN3CCC([C@]4(CCc5ccccc5)NC(=O)NC4=O)CC3)[C@@H]1C2 12134273 VAALVFIVNDOGBE-MCEYFSPLSA-N 421.585 3.902 0 50 HHAA O=C(CCC(F)(F)F)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55074250 AXYPMKCSKIPNNW-QGZVFWFLSA-N 403.876 3.796 0 50 HHAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 72436873 AAUZKXVFMNINJH-UHFFFAOYSA-N 418.904 3.532 0 50 HHAA Cc1ccc(C[C@H]2CC(=O)N(c3ccccc3I)C2=O)cc1 100480207 BGSSNAFFGWGNIB-AWEZNQCLSA-N 405.235 3.722 0 50 HHAA O=S1(=O)CC[C@@]2(C[C@@H](NCc3ccc(Oc4cc(F)cc(F)c4)cc3)CCO2)C1 170592037 HUVCSEQOPXJLRC-GHTZIAJQSA-N 423.481 3.583 0 50 HHAA CCCc1ccc(-c2nc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)sc2C)cc1 225592045 CXUDFBFMYVQCIC-VQHPVUNQSA-N 400.500 3.888 0 50 HHAA O=C(OCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cccc5ccccc45)C(=O)[C@H]13)O2 245380419 YQTZBTOOISNFSV-ONJIFJTESA-N 411.457 3.870 0 50 HHAA COC(=O)c1cc(NC(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)cn1C 492463973 RHZGZYJPDCUNLU-UHFFFAOYSA-N 421.379 3.875 0 50 HHAA O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NC[C@H](O)c1ccncc1 750492373 YGDONHCXHYKISL-INIZCTEOSA-N 408.310 3.904 0 50 HHAA C[C@H]1CCCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2cccc(C(F)(F)F)c2)C1 822416748 AMHLZKUKRDJODE-SMDDNHRTSA-N 406.408 3.911 0 50 HHAA FC(F)(F)c1nnc(N2CCN(Cc3ccc([C@H]4CCCO4)s3)CC2)s1 825720647 RZPNZEIOABKZMW-GFCCVEGCSA-N 404.483 3.792 0 50 HHAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 827908312 COXMCRKFAFQMSB-UHFFFAOYSA-N 421.463 3.750 0 50 HHAA COc1ccc(-c2ccno2)cc1S(=O)(=O)N(C)CCOc1cccc(Cl)c1 952964139 NRKHSRDTKZHIQS-UHFFFAOYSA-N 422.890 3.703 0 50 HHAA CCCO[C@@H]1CCCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)C1 952968328 JCKUOZRKTQUDAN-LJQANCHMSA-N 407.576 3.710 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 1875369367 KILFVYYLTIBDGG-ZDUSSCGKSA-N 401.507 3.859 0 50 HHAA CN1CCC[C@]2(CCCN2C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)C1=O 2356168472 FJKIRYHXYNAWGU-DEOSSOPVSA-N 416.481 3.631 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)cc1 801892 IRVWJXJLMDXBAI-UHFFFAOYSA-N 417.531 3.769 0 50 HHAA COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 990590 AFNBOPQLMGNNSH-UHFFFAOYSA-N 421.449 3.664 0 50 HHAA O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1052124 MOXJWAZHLVCGAB-ZDUSSCGKSA-N 413.326 3.672 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)c(Cl)c1 2876341 DFNOJVLJCLZGKK-UHFFFAOYSA-N 424.803 3.903 0 50 HHAA O=c1oc2ccccc2c(O)c1C(c1ccncc1)c1c(O)c2ccccc2oc1=O 4701008 AJQRDMVKOFZTNT-UHFFFAOYSA-N 413.385 3.886 0 50 HHAA biogenic COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 5013828 QBNZBMVRFYREHK-JOCHJYFZSA-N 407.495 3.698 0 50 HHAA in-vitro CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCCCC1 5317711 UGZPQLMDOBTRTE-OXJNMPFZSA-N 411.502 3.689 0 50 HHAA O=C(NCc1ccccn1)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 6673606 PQTYYDAZZGSVKV-SJORKVTESA-N 401.392 3.868 0 50 HHAA CC[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)NC3CCCCCC3)cc2NC1=O 6867624 FHKKXMYDZACFLR-QGZVFWFLSA-N 424.588 3.512 0 50 HHAA Cc1cc(OCc2cc(C(=O)N[C@@H](C)Cc3cnccn3)no2)cc(C)c1Cl 11661727 FEUJVGWTCQZOLP-AWEZNQCLSA-N 400.866 3.675 0 50 HHAA Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 11820857 AJWDZDJJQSYXLD-JOCHJYFZSA-N 403.526 3.547 0 50 HHAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cn1cc2ccccc2n1 11838261 YDRJCSKEGDQOJG-IBGZPJMESA-N 408.521 3.589 0 50 HHAA Cc1nc2sccn2c1CN1CCC2(CC1)C[C@H]2C(=O)Nc1ccc2c(c1)OCO2 12132778 VMMQYYHLWDWPNO-INIZCTEOSA-N 424.526 3.674 0 50 HHAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)C1 12298795 SNJWHKLQKOVAAM-GOSISDBHSA-N 415.534 3.748 0 50 HHAA CC(C)Cn1c(CN2CCC(CCc3ccccc3)CC2)cnc1S(C)(=O)=O 12301558 HRZUZMUHZLBVDX-UHFFFAOYSA-N 403.592 3.787 0 50 HHAA COc1ccc(Cc2nc3ccc(C(=O)NCc4c(C)n[nH]c4C)cc3o2)cc1OC 12459686 NMRFASHDFKXDQZ-UHFFFAOYSA-N 420.469 3.706 0 50 HHAA COc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)c(OC)c1 12711015 HWJUQWVCXZFCDW-HMHJJOSWSA-N 422.525 3.650 0 50 HHAA COc1cccc(NC(=O)c2c(NC(=O)CCCC(=O)O)sc3c2CCC3)c1 17082416 SWZYPKQMCMEPQV-UHFFFAOYSA-N 402.472 3.691 0 50 HHAA CCc1nccn1CCC(=O)NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 19113191 AJVNJJAOXSQIQE-HSZRJFAPSA-N 418.541 3.588 0 50 HHAA Cc1nn(CCNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C)c1Cl 20608219 MUTWUQKDOYGNKX-UHFFFAOYSA-N 405.833 3.550 0 50 HHAA COc1ccccc1N1CCC(N[C@H]2CCCN(C3Cc4ccccc4C3)C2)CC1 32519370 YKVMSDJUOVIAKO-QHCPKHFHSA-N 405.586 3.885 0 50 HHAA COc1cccc(-c2cc(CC3(O)CCN(c4ccc5cc[nH]c5n4)CC3)on2)c1 72156710 FHNHYGIPTAUBOJ-UHFFFAOYSA-N 404.470 3.801 0 50 HHAA CC1(C)CC(=O)c2c(O)cc(OCCCN3CCN(c4ccccc4)CC3)cc2O1 96028223 UPOCIENFXIDSDS-UHFFFAOYSA-N 410.514 3.727 0 50 HHAA Cc1ccc(C)c(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)c1 101199198 ALXFIIKWIYKALF-IRFCIJBXSA-N 412.555 3.804 0 50 HHAA CC(=O)c1ccccc1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 239164813 MYMQTRFECVPLFM-LVNJIZSUSA-N 403.434 3.644 0 50 HHAA COc1ccc(-c2nc(C)c(C(=O)N(C)C3CCC(NC(C)=O)CC3)s2)c(F)c1 409958287 RWWUXBLHJAKSRU-UHFFFAOYSA-N 419.522 3.786 0 50 HHAA CC(C)c1ccc2c(Cl)c(C(=O)NS(=O)(=O)C[C@@H]3CCCO3)sc2c1 781508431 RKRCEGPJJHNSEE-LBPRGKRZSA-N 401.937 3.917 0 50 HHAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2cnc(N)nc2-c2ccccc2)cc1 1506417081 NMRPYINPPYJPHZ-OAQYLSRUSA-N 401.514 3.765 0 50 HHAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NCCc2noc(C3CCCC3)n2)s1 1506428085 LYLXIVDRPGEKNA-UHFFFAOYSA-N 422.532 3.582 0 50 HHAA CCN(CC)Cc1cc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)ccc1OC 1772816141 KLTBGEMCWIICMM-UHFFFAOYSA-N 404.514 3.676 0 50 HHAA O=C1CCO[C@H]2CN(Cc3cc(C(F)(F)F)ccc3F)C[C@@H]2N1Cc1ccccc1 1857728538 GGQYDXPRRMYIPB-PMACEKPBSA-N 422.422 3.846 0 50 HHAA O=C(Nc1cc(I)ccc1O)C1(Oc2ccccc2F)CC1 1875264857 JPSPMYUBJKVHHF-UHFFFAOYSA-N 413.186 3.686 0 50 HHAA COc1cc(OC)cc(Oc2cccc(CNc3ncnc4c3NC(=O)CS4)c2)c1 1875336448 DTRVJAQWSMSQGG-UHFFFAOYSA-N 424.482 3.942 0 50 HHAA COc1ccc(CCC(=O)N2CCC[C@]23CCCN(c2ccc(C)cc2)C3=O)cc1O 2356138900 SCLFLRXBDSCCMS-VWLOTQADSA-N 422.525 3.830 0 50 HHAA C[C@H](NC(=O)c1c(I)cnn1C)c1ccc(C(C)(C)C)cc1 653061 GUAIMHGMVSOUGZ-NSHDSACASA-N 411.287 3.813 0 50 HHAA CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 707854 SIXZNEMNHUPNMH-VUUXHMSQSA-N 411.432 3.966 0 50 HHAA CC(=O)c1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccccc2C(C)=O)S1 754716 RRLDZBRIQSJEPK-BGYRXZFFSA-N 410.495 3.933 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 1172959 UCOJQGFFBNJUTM-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)sc2c1CCCC2 2421148 DBZCFPZXKFKUCZ-QFIPXVFZSA-N 413.495 3.914 0 50 HHAA aggregator CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc21 4710784 NXEBORNHCUDKDL-UHFFFAOYSA-N 421.522 3.637 0 50 HHAA COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCCOc1ccccc1 5102033 VTVNXSFFBAMHIB-WJDWOHSUSA-N 404.875 3.945 0 50 HHAA COc1ccc(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(F)(F)F)cc1 12034340 GKLVGWGEYYOTRA-RDJZCZTQSA-N 404.388 3.652 0 50 HHAA Cc1cccc(C[C@@H](C)NC(=O)c2cc(COc3ccc4ncccc4c3)on2)n1 12318495 NZSKGEVVJXUVRH-MRXNPFEDSA-N 402.454 3.866 0 50 HHAA COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1C(=O)N1CCCC1 13668484 PYQJVKWECPYSOI-QGZVFWFLSA-N 416.543 3.588 0 50 HHAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1cc(F)cc(F)c1)C2 14745957 KQIZGMXAZNGNLY-IBGZPJMESA-N 416.516 3.700 0 50 HHAA O=C1C[C@H](C(=O)NC[C@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)c2ccccc21 14984700 WDCBFRIUJLFSAA-APWZRJJASA-N 402.425 3.678 0 50 HHAA O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3ccc4nsnc4c3)N3CCC[C@@]123 15064086 LDYIDKUIXASZQL-OEOAZWSVSA-N 416.550 3.597 0 50 HHAA Cc1ccn2c(CN(C)C[C@H](O)c3ccccc3)c(C(=O)N3CCCCCC3)nc2c1 19798903 YWEUUPIJJXPPGJ-QFIPXVFZSA-N 420.557 3.824 0 50 HHAA O=C(CSc1ccccc1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55118804 YWKAGYKYHXGLSK-OAQYLSRUSA-N 413.562 3.731 0 50 HHAA Cn1cc(NC(=O)CN2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 71422161 XRTQTIUFCDBMOB-NRFANRHFSA-N 402.498 3.621 0 50 HHAA Cc1ccc(Nc2ccc(NCCNC(=O)c3ccccc3C(F)(F)F)nn2)nc1 72139299 XSJTWSDBQSQQCG-UHFFFAOYSA-N 416.407 3.784 0 50 HHAA CCOC(=O)C1=C(CN2CCC[C@H]2c2cccs2)NC(=O)N[C@@H]1c1ccc(C)o1 229633066 PSKMPSSVWDXAFA-HNAYVOBHSA-N 415.515 3.658 0 50 HHAA COc1cccc(C(=O)N[C@H](C)c2ccc(Br)cc2OCCCO)c1 253421789 WMFDYVKMPLLXLO-CYBMUJFWSA-N 408.292 3.710 0 50 HHAA O=C(O)c1cc2c(c(S(=O)(=O)Nc3cccc(Oc4ccccn4)c3)c1)CCC2 438726081 PKVKFPVWRNDLPE-UHFFFAOYSA-N 410.451 3.862 0 50 HHAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)c2c1 497458814 IJYOZNYFHDSTIO-DVECYGJZSA-N 420.601 3.827 0 50 HHAA CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cs1 499425588 WUAVSPCIIREYAM-UHFFFAOYSA-N 424.507 3.856 0 50 HHAA CN(C)[C@@H]1CC[C@H](NC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)C1 952891852 CRPHDOTYRLWJCV-VQTJNVASSA-N 411.525 3.654 0 50 HHAA O=c1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)nc2sc(C3CC3)nn12 1506410368 FNIAGMMDMPGHIW-CQSZACIVSA-N 407.499 3.549 0 50 HHAA C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 1772709343 FXUFKWFNXVCWKS-MAUKXSAKSA-N 403.457 3.876 0 50 HHAA Oc1nc(-c2cccnc2)nc2c1CC[C@@]21CCCN(c2nccc3ncccc23)C1 1857701317 SAYBULDGGRONRI-XMMPIXPASA-N 410.481 3.672 0 50 HHAA COc1ccc(C(=O)N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)cc1Cl 1857739070 CAWLNIYKIFPZET-QFIPXVFZSA-N 413.905 3.842 0 50 HHAA Cn1c(C2CC2)c(NC(=O)[C@H](c2ccccc2)N2CCCC2)c(=O)n1-c1ccccc1 2325828314 DIOGBJBOYOARDF-QHCPKHFHSA-N 416.525 3.829 0 50 HHAA Cc1cccc(C(F)(F)C(=O)N[C@H](C)c2cn(-c3cc(N)ccc3Cl)nn2)c1 2325850919 KZUISELUWGRNJB-GFCCVEGCSA-N 405.836 3.781 0 50 HHAA C[C@H](c1ccccc1)[C@@H](NC(=O)CCC(=O)c1cc(Br)cs1)C(=O)O 2325876515 YCXCWNZVGPPRHT-PIGZYNQJSA-N 424.316 3.847 0 50 HHAA O=S(=O)(NC[C@@H]1CCN(c2ccccc2)C1)c1cnc(-c2ccc(F)cc2)s1 2325879553 ZDDZIBBONUQOFZ-HNNXBMFYSA-N 417.531 3.754 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 824305 UQPBLEVCUGMPNJ-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl)N1CCSCC1 848531 BVMSNTDIRMZOGX-UHFFFAOYSA-N 416.812 3.851 0 50 HHAA O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCc3c2[nH]c2ccc(Cl)cc32)CC1 920405 FRSZNZNJHSDBGI-MRXNPFEDSA-N 411.889 3.819 0 50 HHAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1ccccc1Cl 1176477 WDSMMLMOMPXONK-UHFFFAOYSA-N 420.962 3.980 0 50 HHAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1176529 MRHYQSACHFZCNF-UHFFFAOYSA-N 424.497 3.639 0 50 HHAA COc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 1215239 AZVPSYHFCFTYQS-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccncc1 2391645 SHDJTFSMINWESX-UHFFFAOYSA-N 403.895 3.753 0 50 HHAA COc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc1OC 2402609 JUTVWBJOACICPK-UHFFFAOYSA-N 405.410 3.944 0 50 HHAA Cc1occc1C(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 2746124 OUUNDYJHZWTZPK-UHFFFAOYSA-N 408.439 3.584 0 50 HHAA CC(C)[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)NCCCN1CCCCC1 4872382 WDNUPQJQJLLHTM-CBNMVNINSA-N 407.643 3.972 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 4952946 UNRABGGJLVMDPJ-BPUTZDHNSA-N 412.387 3.591 0 50 HHAA CC(=O)N1CCC(N2CC[C@@H](C3CCN(Cc4cccc(F)c4F)CC3)C2)CC1 12111730 LURXWXFOZBZPBZ-LJQANCHMSA-N 405.533 3.510 0 50 HHAA Cc1c([C@@H](C)NCc2cn(CC(N)=O)c3ccccc23)cnn1-c1cccc(F)c1 12305987 QFHUNSZFYSTPSO-OAHLLOKOSA-N 405.477 3.611 0 50 HHAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@H](C)O[C@H](C)C4)c3n2)cc1 13482235 SZWJXPWLCXWQRE-OKILXGFUSA-N 400.429 3.892 0 50 HHAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCCc1c[nH]c3ccccc13)C2 14733283 SLNZXNLQOASODI-IBGZPJMESA-N 419.573 3.607 0 50 HHAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NC1CCCCCCC1)C2 14744887 OJRBNWDORJBTIP-GOSISDBHSA-N 404.624 3.652 0 50 HHAA O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)Nc1ccccc1 17082026 KRAIOZVLXBRJTI-HNNXBMFYSA-N 400.529 3.916 0 50 HHAA COc1cc(-c2nc(CN(C)C[C@H]3COc4ccccc4O3)c(C)o2)cc2c1OCO2 19795243 WRZPUXXJKPCQAL-INIZCTEOSA-N 424.453 3.659 0 50 HHAA CC(=O)Nc1cccc(O[C@@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)c1 22205042 ZRDUWDUMTHAYNS-OAHLLOKOSA-N 402.665 3.545 0 50 HHAA CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3Cc5ccccc5C3)[C@@H]4C2=O)cc1 77471464 RCRCZZOJNWBBFE-WOLJRWFJSA-N 414.505 3.639 0 50 HHAA CN1CCC(Cc2noc([C@H]3CCC(=O)N(Cc4ccc(Cl)cc4)C3)n2)CC1 91664299 RUWGOYPUQVFEGO-KRWDZBQOSA-N 402.926 3.514 0 50 HHAA O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCC[C@H]1c1nnc2ccccn12 247754416 YBHJGMRZIOEMOS-ZBFHGGJFSA-N 407.301 3.613 0 50 HHAA Cc1nn(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(C)c1C 722977660 VEAQKXULUVWFAL-QFIPXVFZSA-N 419.481 3.800 0 50 HHAA O=C(Cc1ccc(F)cc1F)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1 756251981 QDMLCRFXDATUHW-UHFFFAOYSA-N 403.406 3.635 0 50 HHAA CCc1oc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)cc1CN1CCCC1 823570764 PIAQHBSOVZQEMH-FQEVSTJZSA-N 413.537 3.971 0 50 HHAA FC(F)(F)c1ccc(N2CCC(NCc3noc(-c4cccs4)n3)CC2)nc1 825717086 HVOQAPYDYWLLMQ-UHFFFAOYSA-N 409.437 3.971 0 50 HHAA CSCc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3cccc(C)c3F)C2)o1 952986680 IVPAXJUOAKBRQW-OAHLLOKOSA-N 404.507 3.872 0 50 HHAA O=C(NCC1(c2ccccc2Cl)CCOCC1)c1ccccc1N1CCCC1=O 1318363895 ZIALCFYKCPTXRT-UHFFFAOYSA-N 412.917 3.945 0 50 HHAA COc1cccc(-c2nc(-c3ccc(O)cc3O)[nH]c2-c2oc(C)cc(=O)c2O)c1 1848442880 MUOJJLFFDQTGED-UHFFFAOYSA-N 406.394 3.798 0 50 HHAA CCc1csc(CNC(=O)C[C@@H]2CCCN(c3nc4cc(OC)ccc4o3)C2)n1 1857729988 LTCVLJBDNPASRB-AWEZNQCLSA-N 414.531 3.778 0 50 HHAA O=C(N[C@H]1CCCN(c2ccc(F)cc2F)C1=O)c1c2c(nc3ccccc13)CCC2 1875331181 TVMVGQHEYUCFLF-FQEVSTJZSA-N 421.447 3.927 0 50 HHAA O=C1CCC[C@H](C(F)(F)C(=O)N2CCC[C@@H]2C(=O)Nc2nc3ccccc3s2)C1 2325824774 PSZPIIVQVNVGCK-SWLSCSKDSA-N 421.469 3.620 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cccc(Cn4cccn4)c3)C2)[C@@H]2CCCC(=O)N12 2356145079 ZPPIQJJYTBORBT-BJESRGMDSA-N 420.557 3.573 0 50 HHAA CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(C)cc2)cc1 840611 VHZGXOAWCQOSPS-UHFFFAOYSA-N 416.543 3.648 0 50 HHAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1 876288 OKJOLUAEEKKEOK-UHFFFAOYSA-N 410.499 3.698 0 50 HHAA Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1-c1ccccc1 882744 MWPXMWVHOXXWCY-UHFFFAOYSA-N 410.437 3.974 0 50 HHAA O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1Br 1117775 ODTQJUJJFGWIKA-UHFFFAOYSA-N 418.316 3.738 0 50 HHAA CC(=O)c1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccc(C)cn2)cc1 1124119 HYFVUMUJMGFXJQ-UHFFFAOYSA-N 403.438 3.862 0 50 HHAA COc1cccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 1173269 JAIRIUBWHCPESW-UHFFFAOYSA-N 421.457 3.695 0 50 HHAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3)C2)cc1Cl 1329946 XBPLRHQWSYLHKM-OAHLLOKOSA-N 422.934 3.696 0 50 HHAA CC(=O)Nc1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 2878980 FTZBKSXISWDOEG-UHFFFAOYSA-N 402.200 3.733 0 50 HHAA CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 5610778 GDBXKKDQHWDTFN-UHFFFAOYSA-N 407.558 3.646 0 50 HHAA CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2Cl)CC1 6073648 TYLNHYCHERELKU-UHFFFAOYSA-N 422.312 3.679 0 50 HHAA Cn1cnnc1Sc1ccc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)o1 11661044 GMNUCZQNNCBSQI-YHEJKZAPSA-N 421.526 3.502 0 50 HHAA Cc1c(C(=O)N2CCOCC2)sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 11813403 KPZMBHXXQKOCTQ-QGZVFWFLSA-N 408.527 3.962 0 50 HHAA Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 13124028 LUVGKBBKHDPRTJ-DOMZBBRYSA-N 424.452 3.577 0 50 HHAA Cc1cccc(-c2ncc(CN3CCN(Cc4ccc(F)cc4)[C@@H](CCO)C3)cn2)c1 19794995 VOOOUGWMFASOFD-DEOSSOPVSA-N 420.532 3.660 0 50 HHAA COc1cc(CNCCc2ccccc2)cc(Cl)c1OCC(=O)NC(C)(C)C 19922656 PFYDISYBGPBFFD-UHFFFAOYSA-N 404.938 3.974 0 50 HHAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCN(C(=O)c2cccs2)CC1 23543731 RGHMMYWDLRHANF-UHFFFAOYSA-N 403.454 3.948 0 50 HHAA CC(C)Oc1cccc2c1c(NC(=O)c1ccc(=O)[nH]c1)nn2Cc1ccccc1 72422162 HJMABYVCTGHNNM-UHFFFAOYSA-N 402.454 3.812 0 50 HHAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2cc(C3CC3)n[nH]2)cc1 91593144 QPDSMXRJDPKOMR-FQEVSTJZSA-N 405.502 3.925 0 50 HHAA COc1ccc([C@H](NCCn2ccnc2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 170606802 LCQZLOFGCQDHQS-UXHICEINSA-N 400.523 3.622 0 50 HHAA C[C@@H]1C[C@H](O)CCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 170610101 NTWHYCGMRFUCIQ-MDYRTPRTSA-N 400.906 3.573 0 50 HHAA COc1ccc(-c2nc(C)c(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)s2)cc1 225418173 ITYHXBJXFPBNSQ-WBVHZDCISA-N 421.522 3.548 0 50 HHAA biogenic Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@H]4[C@@H]3C2=O)c1 247871092 LKISCTNMRXYASH-TUFLPTIASA-N 422.912 3.792 0 50 HHAA O=C(NCCCSCc1ccc(Cl)cc1)c1ccc2c(c1)ncn2CCO 670459825 ZUBOXQAIWRHHKE-UHFFFAOYSA-N 403.935 3.735 0 50 HHAA C[C@@H](NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)c1ccccc1-n1cccn1 822273955 BLDJMRDHXNWSFQ-RCDGMEKDSA-N 416.529 3.637 0 50 HHAA Fc1cccc(-c2noc([C@@]3(C(F)(F)F)CCN(CCOCC(F)F)C3)n2)c1 952895036 XQFWMTNSWXORDO-MRXNPFEDSA-N 409.330 3.663 0 50 HHAA O=C(NCc1ccc(Br)cc1)[C@H]1CCC(=O)N1Cc1ccccc1Cl 1775973135 LQIUUSSRSZKOSJ-QGZVFWFLSA-N 421.722 3.910 0 50 HHAA C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(c2ccc([C@H]3CCC(=O)N3)cc2)C1=O 1875335137 TWXBTXJYDPLVEB-OXQOHEQNSA-N 417.387 3.628 0 50 HHAA Cc1nc(N2CCC[C@]3(CCCCO3)C2)cc(N2CCC[C@]3(CCCCO3)C2)n1 2325749604 YMTLEGPBDLCSJS-DHIUTWEWSA-N 400.567 3.864 0 50 HHAA Cc1ncc(CCC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)c(O)n1 2325823708 BHGADLJEOQSMAH-GOSISDBHSA-N 418.335 3.713 0 50 HHAA C[C@]1(c2noc(Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)n2)CCC(=O)N1 2325841238 KLGOQEKEIRKJFY-HSZRJFAPSA-N 417.444 3.777 0 50 HHAA COc1cc2c(N3CCOCC3)cc(O)c(CC(=O)Nc3ccccc3)c2cc1OC 754326 RPWLKLZKOBXITE-UHFFFAOYSA-N 422.481 3.580 0 50 HHAA O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 2854633 DRLATBGHPQVCJJ-UHFFFAOYSA-N 424.975 3.996 0 50 HHAA NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 4180075 DIKJZBPRGIMLAY-QWHCGFSZSA-N 404.875 3.773 0 50 HHAA Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 4747999 LDWJAIBCCWJDMH-UHFFFAOYSA-N 414.458 3.952 0 50 HHAA Cc1cnc(-n2ncc(C(=O)N[C@H]3CCOC(C)(C)C3)c2C)nc1-c1ccc(F)cc1 11816188 SMYYNKIPSJNSHQ-SFHVURJKSA-N 423.492 3.773 0 50 HHAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2 14955640 MOJABNPCIKVSHX-SFHVURJKSA-N 423.483 3.579 0 50 HHAA COCCN(Cc1ccc2nonc2c1)CC1CCN(Cc2ccccc2OC)CC1 14960850 NUNDMQNFFUEJDQ-UHFFFAOYSA-N 424.545 3.592 0 50 HHAA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NC[C@H]1CCCO1 17083018 GFZJQXBIKXFKEA-OAHLLOKOSA-N 404.557 3.981 0 50 HHAA COc1ccccc1N1CCC(N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)CC1 32519369 YKVMSDJUOVIAKO-HSZRJFAPSA-N 405.586 3.885 0 50 HHAA O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 36366041 QDEMFYMPLVBOLT-UHFFFAOYSA-N 424.404 3.509 0 50 HHAA O=C(Nc1nn(CC(F)(F)F)c2cccc(Oc3cccnc3)c12)c1cccnn1 72463694 UFZUIMONTPWBMP-UHFFFAOYSA-N 414.347 3.828 0 50 HHAA COc1cc2nc(N3CCCC3)nc(NCCCCCN3CCCC3)c2cc1OC 98214604 WEXCGGWTIDNVNT-UHFFFAOYSA-N 413.566 3.925 0 50 HHAA in-vitro CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1sc3c(c1C(N)=O)CC[C@@H](C)C3)[C@H]2C(=O)O 101716792 NIAPZOQRXCGEFV-GTOWQFAVSA-N 416.543 3.604 0 50 HHAA COC(=O)[C@H](NC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21)c1ccccc1 216610353 AWTTZWCCGXRIMO-FADBTOOJSA-N 423.557 3.505 0 50 HHAA CCOC(=O)c1c(C)nc(SCC(=O)O)nc1-c1c(OC)ccc2ccccc12 216719543 OJZJSUOKLIHJTA-UHFFFAOYSA-N 412.467 3.967 0 50 HHAA COc1ccc(-c2cc3n(n2)[C@@H](NCc2ccccc2C(F)(F)F)CNC3=O)cc1 263615546 CXRWLYOGMOTSNE-LJQANCHMSA-N 416.403 3.609 0 50 HHAA COc1nc(N2CCCCCC2)nc(N2CCC(c3c[nH]c4ncccc34)CC2)n1 301974952 CDQFEBFKVIHQRF-UHFFFAOYSA-N 407.522 3.521 0 50 HHAA Cc1ccc(N2C(=O)C[C@@H](C(=O)NCCCn3ccnc3C)[C@@H]2c2cccs2)cc1 390832841 VKEPOIRHPQIEKK-DENIHFKCSA-N 422.554 3.862 0 50 HHAA O=S(=O)(c1cnn(CC(F)(F)F)c1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 475541803 SECKQQCPRPXTTF-LJQANCHMSA-N 421.444 3.782 0 50 HHAA CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@H]3CCC[C@](O)(c4ccccc4)[C@H]3C2)c1C 1704357019 ASFTYGQMTXQDAJ-VUMVONDWSA-N 410.514 3.568 0 50 HHAA COc1c(CNC(=O)c2cccnc2Oc2ccccc2C(N)=O)oc2ccccc12 1875261946 UFOBFFBHTKRQFR-UHFFFAOYSA-N 417.421 3.658 0 50 HHAA COc1ccc2c(c1)[C@@H](Nc1ccc(C(=O)N[C@@H]3CC(C)(C)CC[C@H]3O)cn1)CC2 2325825569 VPBNIZBOALYHFH-PWRODBHTSA-N 409.530 3.859 0 50 HHAA O=c1[nH]c2ccc(Br)cc2cc1-c1noc(CCc2ccc(O)cc2)n1 2325863234 AZRYQNXIFSUEME-UHFFFAOYSA-N 412.243 3.831 0 50 HHAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3cc(C)n(C(F)F)n3)C2=O)cc1 2356158458 KZORIPDMMUMHJB-NRFANRHFSA-N 402.445 3.697 0 50 HHAA COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2OC(C)C)cc1 706418 RAYPJFXAUKAFNC-NRFANRHFSA-N 410.470 3.854 0 50 HHAA O=C1CCC(=O)N1CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 898919 QLDVHKRDRZKZQQ-UHFFFAOYSA-N 406.385 3.984 0 50 HHAA biogenic CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1 1025036 YPGBCTHYJSFDGP-UHFFFAOYSA-N 405.267 3.753 0 50 HHAA CC(C)CN1C(=O)c2ccc(C(=O)Oc3ccc(Br)cc3)cc2C1=O 1116057 HJKBAAUVWSZUBW-UHFFFAOYSA-N 402.244 3.920 0 50 HHAA Cc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)cc1 1158432 XCBOJQRYDAINSK-UHFFFAOYSA-N 402.476 3.969 0 50 HHAA O=C(COc1ccccc1/C=C1/NC(=O)N(c2ccccc2)C1=O)Nc1ccccc1 1163051 GCQXQLMDJFNDLE-HMMYKYKNSA-N 413.433 3.801 0 50 HHAA COc1ccc(OC)c(NC(=O)COc2ccc3c4c(c(=O)oc3c2C)CCC4)c1 1787477 NKYGZEFLPXJWCD-UHFFFAOYSA-N 409.438 3.625 0 50 HHAA COC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 2954890 RSBWOAJHGNYIQX-UHFFFAOYSA-N 407.797 3.727 0 50 HHAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccc4nc(C)[nH]c4c2)O3)n1 11789452 MCXBIUDDBOFWJH-LJQANCHMSA-N 413.481 3.679 0 50 HHAA O=C(NCCc1nc(-c2ccccc2)no1)c1cn(Cc2cccc3ccccc23)nn1 12054550 YALZQPUBFMIHID-UHFFFAOYSA-N 424.464 3.502 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@@H]2CCCCN2C)CC1 12091541 QADHOKXPHAWPEF-NRFANRHFSA-N 400.563 3.666 0 50 HHAA O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1)c1ccco1 12202623 MFDGKFOXYBBGRH-GOSISDBHSA-N 424.522 3.777 0 50 HHAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cc3ccccc3o1)CC2 14539676 CPUAHXSXKHOEHF-UHFFFAOYSA-N 418.497 3.647 0 50 HHAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@@H]2CC23CCC3)CC1 14975544 WTXACRMCECFJTJ-FQEVSTJZSA-N 422.529 3.644 0 50 HHAA OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 19228902 RGCVKNLCSQQDEP-UHFFFAOYSA-N 403.979 3.943 0 50 HHAA biogenic,fda COc1ccc(CN2CCN(Cc3cccc(F)c3F)C[C@@H]2CCO)c(C)c1C 23374972 LOUCSGNTBIXQCF-FQEVSTJZSA-N 404.501 3.659 0 50 HHAA CC[C@]1(O)CCCN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)C1 67458045 WBIONJIBOBSWQD-QHCPKHFHSA-N 410.470 3.793 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc4cnccc34)C[C@H]2CCO)c(C)c1C 107100456 WNDPZLUVNYFMAG-XMMPIXPASA-N 419.569 3.929 0 50 HHAA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 138540063 KUHGVQKCDKDXNU-IPMKNSEASA-N 416.308 3.837 0 50 HHAA O=C(Nc1ccccc1F)c1ccsc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239038851 FBJASIMKFTZFIF-DPDCMNJDSA-N 400.431 3.601 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 245311972 RDSZSZCWVRPPOI-UEQSERJNSA-N 408.457 3.819 0 50 HHAA Cc1ncsc1C(=O)NC1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 252680038 UWJAEJAYSOIFLL-XYJFISCASA-N 404.580 3.714 0 50 HHAA O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCN(c2ccc(Cl)cc2)CC1 299766434 DBGAKTNHBQJWRP-HXUWFJFHSA-N 401.869 3.515 0 50 HHAA COC(=O)c1nc(NC(=O)c2cc3ccccc3c(=O)s2)sc1CC(C)C 824216561 HJACNJVOGFMUEF-UHFFFAOYSA-N 402.497 3.955 0 50 HHAA COc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCCN(C(=O)C4CC4)C3)cc2)cc1 824684103 MRODKQLLFGSIFG-KRWDZBQOSA-N 408.498 3.866 0 50 HHAA CCCOc1ccc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)cc1CO 1529198889 ONADHBJRWBIPDM-HYBUGGRVSA-N 406.526 3.551 0 50 HHAA CC(C)Oc1ccc(COC(=O)c2cnn(-c3cccc(Br)c3)c2)nn1 2325870776 OKUQPUXUKZBCGU-UHFFFAOYSA-N 417.263 3.569 0 50 HHAA O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(F)c(Cl)c1 630035 SQQHNDSQNUTTCV-UHFFFAOYSA-N 410.630 3.590 0 50 HHAA Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 674967 GAGGINWNRKWKAZ-UHFFFAOYSA-N 416.543 3.742 0 50 HHAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)c1OC 862835 JVZTZTTWSZLEMJ-KRWDZBQOSA-N 401.850 3.624 0 50 HHAA Cc1ccc2c(C)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)oc2c1 1057200 LRYAVBQVSBOBIG-UHFFFAOYSA-N 422.466 3.893 0 50 HHAA CC(C)(CO)NCc1cc(I)ccc1OCc1ccccc1 2881905 IPXRMZAXIXYVAS-UHFFFAOYSA-N 411.283 3.731 0 50 HHAA Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3cccnc3)C2=O)cc1 4738695 ZWIWAKSDZPSANW-NRFANRHFSA-N 414.465 3.756 0 50 HHAA CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCc3ccc(C)o3)CC2)c2ccccc2O1 6846898 SJIYEVJDCNDJGX-GOSISDBHSA-N 411.502 3.714 0 50 HHAA COc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)cc1F 12228071 WODNBKZHSPRBNN-MRXNPFEDSA-N 401.434 3.587 0 50 HHAA O=C1N[C@H](c2c(F)cccc2Cl)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 12377912 BFDBJKZLOJVEMP-LALPHHSUSA-N 422.787 3.645 0 50 HHAA COc1cc(C[C@@]2(CCC(=O)N[C@@H](C)c3cccs3)CCC(=O)N2)ccc1F 14886246 CMTHFPQHVFWXNO-LHSJRXKWSA-N 404.507 3.745 0 50 HHAA Cc1cc2cc(CNC(=O)[C@H]3CCC(=O)N(CCc4cccc(F)c4)C3)ccc2[nH]1 15074236 KVTYUIJYDBNVRR-IBGZPJMESA-N 407.489 3.713 0 50 HHAA Cc1ccccc1N1CCN([C@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)CC1 20599076 DRDDOIXICGKSIT-VWLOTQADSA-N 415.585 3.967 0 50 HHAA CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(O)c(OC)c3)N2C1=O 22204901 CIOAIIKTUJCFJM-AVRDEDQJSA-N 419.481 3.961 0 50 HHAA Cc1nc2nc3ccn(Cc4ccncc4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398359 MFFMODVRYDGGPN-UHFFFAOYSA-N 402.845 3.511 0 50 HHAA O=C(c1cccc(F)c1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777556 JRCBJRRGVRRCOF-UHFFFAOYSA-N 418.432 3.612 0 50 HHAA COc1cc(/C=C/C(=O)O)ccc1OCc1ccc(I)cc1 226360937 FKTWOCULBUAMBU-WEVVVXLNSA-N 410.207 3.977 0 50 HHAA COc1ccccc1C1(F)CCN(C(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)CC1 253426537 HIEVBUFBZFNTCN-WFXMLNOXSA-N 406.542 3.616 0 50 HHAA COCCN(C(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1C)C(C)C 299767248 JDELCUAQWACMDQ-UHFFFAOYSA-N 411.481 3.582 0 50 HHAA Cc1cccnc1NC(=O)CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 334161718 HJPPJBPNFUKREU-UHFFFAOYSA-N 410.449 3.795 0 50 HHAA Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H]1c1nc(-c2cccnc2)no1 952978449 ABKURXWBOLLKSD-IBGZPJMESA-N 402.458 3.544 0 50 HHAA Cc1c(Cl)cccc1NC(=O)CC(=O)NCC1(c2cccc(F)c2)CCOCC1 1506402424 OULPAZKTIRIJPR-UHFFFAOYSA-N 418.896 3.981 0 50 HHAA O=C(Cc1c[nH]c2ccccc12)N1CCCN(C(=O)[C@@H]2CCc3ccccc32)CC1 1704337213 SVNIBKNNFKTRTH-JOCHJYFZSA-N 401.510 3.501 0 50 HHAA Oc1nc(-c2cccnc2)nc2c1CC[C@]21CCCN(Cc2ccncc2Cl)C1 1857726959 GGOUPZCIZVBTPD-QFIPXVFZSA-N 407.905 3.773 0 50 HHAA CCCN1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=NCc2cccnc2)C1 1875249488 VVYIXGYAXHLVNU-VWLOTQADSA-N 414.557 3.657 0 50 HHAA Cc1cccc(NC(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4cnco4)cc3)C2)c1 1875353428 SCJCJNMTJZLMRY-KRWDZBQOSA-N 404.470 3.934 0 50 HHAA C=CC(=O)N[C@H]1CN(C(=O)CCCc2cc(C)sc2C)CC[C@H]1C(F)(F)F 1875386833 ZYDGDYJKHIQETJ-CVEARBPZSA-N 402.482 3.769 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1 1142109 JWMGAPYNWOHIEK-HNNXBMFYSA-N 412.925 3.554 0 50 HHAA Cc1cc(NC(=S)NC(=O)c2ccco2)c(C)cc1I 2859084 RAPXMRYVRKKMFH-UHFFFAOYSA-N 400.241 3.628 0 50 HHAA CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC(F)(F)C(F)(F)F 4065426 YJTZPBCSTDSCBT-AWEZNQCLSA-N 422.350 3.844 0 50 HHAA NC(=O)C1CCN(C(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)CC1 6730380 XQHRIZZQAZYVFQ-UHFFFAOYSA-N 407.297 3.910 0 50 HHAA O=C(CSc1nc2c(c(=O)[nH]1)CCC2)Nc1cc(C(F)(F)F)ccc1Cl 8587391 TUYPRGLVUYYLGT-UHFFFAOYSA-N 403.813 3.662 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3ccc(F)c(OC)c3)oc2C)C1 12206896 IJPWWTPFLGHENV-KRWDZBQOSA-N 403.498 3.878 0 50 HHAA NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 13544965 YMOMUSLASMARSL-UHFFFAOYSA-N 413.524 3.722 0 50 HHAA Cc1ccccc1CNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O 14956275 MPCIVMDIZGMXDW-UHFFFAOYSA-N 421.541 3.828 0 50 HHAA O=C(c1c[nH]c2ccccc12)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 19146970 QZKCIDSHXXKUOZ-GOSISDBHSA-N 406.505 3.734 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H]2CN(C(=O)C(C)C)CC[C@H]21 19812998 CWTUWMHQIYHURD-NFBKMPQASA-N 422.573 3.527 0 50 HHAA Cc1cc(Cl)c(OCCOCCN2C[C@@H](C)O[C@H](C)C2)c(Br)c1 20167361 QJTBMVAPMZROQY-ZIAGYGMSSA-N 406.748 3.916 0 50 HHAA Cc1ccc(OCCN(C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)cc1 20775294 CJVIRGYLXZZCJJ-UHFFFAOYSA-N 412.559 3.841 0 50 HHAA Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](C(=O)c1ccc3c(c1)OCO3)CC(=O)N2 45302624 UDCRKFVRSKUTLW-OAHLLOKOSA-N 409.829 3.872 0 50 HHAA COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)[C@H](CCO)C2)cc1 72462915 BRYLWTLKSMIBHH-JOCHJYFZSA-N 405.542 3.717 0 50 HHAA O=S1(=O)CC[C@]2(C[C@H](NCc3ccc(Oc4cc(F)cc(F)c4)cc3)CCO2)C1 170592038 HUVCSEQOPXJLRC-NQIIRXRSSA-N 423.481 3.583 0 50 HHAA CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NCc3ccncc3)cc2)cc1 170603888 MQKYVXMBHSBLII-NYYWCZLTSA-N 414.465 3.622 0 50 HHAA C[C@@H](C(=O)Nc1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1)n1cccn1 301077862 JSHKXOWLNCMDKL-INIZCTEOSA-N 424.468 3.955 0 50 HHAA O=C1N[C@H](c2ccc3c(c2)CCO3)C(=O)N1Cc1ccc(COc2ccccc2)cc1 430859029 TYTKLOMISGQPQQ-HSZRJFAPSA-N 414.461 3.994 0 50 HHAA COc1ccc(CN(C)C(=O)[C@H](C)c2nnc(O)c3ccccc23)c2cccnc12 952983952 SPRDODAZIGMMJZ-CQSZACIVSA-N 402.454 3.654 0 50 HHAA CSCC(=O)N1C[C@@H]2CN(Cc3cccnc3C)C[C@@]2(CCc2ccccc2)C1 1772709231 JIGFQSAUOLAIHU-UPVQGACJSA-N 409.599 3.646 0 50 HHAA Cc1cc(C(=O)N[C@H]2CC[C@H](CN3Cc4ccccc4C3=O)CC2)c2c(C)noc2n1 1775942478 QZBYZTNVLBSOAK-SAABIXHNSA-N 418.497 3.784 0 50 HHAA Cc1ccc(-c2ccnc(N[C@H]3C[C@H]4CO[C@@H](c5ccccc5)CN4C3)n2)c(C)n1 1857687469 SGIRYUKGYCYKFU-SXWKCWPCSA-N 401.514 3.782 0 50 HHAA COC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br 756450 OXAGCPGAZKOHNZ-UHFFFAOYSA-N 400.154 3.964 0 50 HHAA O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1OCc1ccc(Br)cc1 1108712 HSALYTACOXMBPD-UHFFFAOYSA-N 423.266 3.693 0 50 HHAA CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccco2)sc2c1CCCC2 1232383 WLPIAVWEEOOKDV-MDZDMXLPSA-N 404.513 3.923 0 50 HHAA CCN(CC)c1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)cc1 1428124 VANZVFXUPFVKMC-UHFFFAOYSA-N 409.559 3.965 0 50 HHAA CCN(CC)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 1743929 RXLALFUZCDDYRY-QFIPXVFZSA-N 412.555 3.738 0 50 HHAA O=C(Nn1c(S)nc2ccccc2c1=O)c1ccc(COc2ccc(F)cc2)cc1 2790950 FMGLNZAUUJESFY-UHFFFAOYSA-N 421.453 3.787 0 50 HHAA COc1ccccc1NC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 2846797 NOCAQRZJPMVOFS-UHFFFAOYSA-N 415.449 3.627 0 50 HHAA CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 2881783 FIPMRMALQJYLTC-UHFFFAOYSA-N 402.560 3.894 0 50 HHAA CC(C)(C)OC(=O)NCC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 2997447 PAVWKFWNOIDVPE-UHFFFAOYSA-N 407.850 3.755 0 50 HHAA CC1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 4857221 RLUCCDGHMJRLQC-UHFFFAOYSA-N 422.934 3.778 0 50 HHAA COc1ccc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)c(OC)c1 5398895 HPJCZSGZONGQQR-UHFFFAOYSA-N 415.449 3.719 0 50 HHAA O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697683 SXYBCKPPWPJYRJ-UHFFFAOYSA-N 409.881 3.623 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(Cc3nc4ccccc4[nH]3)CC2)O1)c1ccccc1 11784694 PHRWWDLORJYRHP-IBGZPJMESA-N 404.514 3.507 0 50 HHAA CC(=O)c1ccc(OCC(=O)N2CCC[C@](CO)(CCCc3ccccc3)C2)cc1 11842632 UHXCWWCOZAQNBW-RUZDIDTESA-N 409.526 3.892 0 50 HHAA CC(=O)Nc1cc(C(=O)N2CCC[C@@H](C)C2)cc2ncn(CCc3ccccn3)c12 11965927 LGTVGXUWNHRPIU-MRXNPFEDSA-N 405.502 3.505 0 50 HHAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 12029014 VUJMDMBPORWEKL-HXUWFJFHSA-N 402.498 3.658 0 50 HHAA CSc1ccccc1OCc1cc(C(=O)N(C)CCc2c(C)n[nH]c2C)no1 12192472 IOPAURBWOHXJEB-UHFFFAOYSA-N 400.504 3.630 0 50 HHAA Cc1cnc(-n2ncc(C(=O)N[C@H]3CCOC(C)(C)C3)c2C)nc1-c1cccs1 12280869 QQOKRLQGCZSDMQ-HNNXBMFYSA-N 411.531 3.695 0 50 HHAA Cc1c([C@H](C)NCc2cn(CC(N)=O)c3ccccc23)cnn1-c1cccc(F)c1 12305990 QFHUNSZFYSTPSO-HNNXBMFYSA-N 405.477 3.611 0 50 HHAA O=C1CCN(C2C3CC4CC(C3)CC2C4)CCN1Cc1cc2c(cc1Cl)OCO2 14997454 IBBAHRIWWKVVSS-UHFFFAOYSA-N 416.949 3.928 0 50 HHAA COc1ccc(C(=O)CCC(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)cc1 15065854 XLLBKSDTHAAJPN-JOCHJYFZSA-N 408.542 3.872 0 50 HHAA O=C(c1cscn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 15071763 OKPAJFUMJZLAHX-QGZVFWFLSA-N 424.492 3.589 0 50 HHAA O=C(Nc1ccc2c(c1)CN(Cc1cccn1-c1ccccn1)CC2)[C@H]1CCCO1 20451226 GEEAYAFAXYBECL-JOCHJYFZSA-N 402.498 3.548 0 50 HHAA Cc1nn(-c2ccc(C(=O)O)cc2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12 20604420 ZATNFJJPVDAZHF-UHFFFAOYSA-N 401.348 3.846 0 50 HHAA CN(C(=O)c1cc(=O)[nH]c2ccccc12)[C@H]1CCCN(CCCc2ccccc2)C1 39479096 CMSJZCMXSZDGJF-FQEVSTJZSA-N 403.526 3.697 0 50 HHAA CN(CCCN1CCCC1)Cc1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 55271392 AJFIPVCRFVAVKU-DEOSSOPVSA-N 417.638 3.609 0 50 HHAA COc1cc(-c2cc(C)c3cccc(OC)c3n2)cc2c1OCCN(CCC(=O)O)C2 67688445 LFLRMTRLKLVNAX-UHFFFAOYSA-N 422.481 3.897 0 50 HHAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cccn3C)cc2)c1 95528852 AVXYBOCVXXTMKG-NRFANRHFSA-N 403.482 3.944 0 50 HHAA CC(C)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1CCO 104416387 ROBMEYMLOXIAHC-XMMPIXPASA-N 404.558 3.816 0 50 HHAA O=C1c2ccccc2C(=O)N1[C@@H](Cc1ccccc1)c1nc2c3ccccc3ncn2n1 252483434 FBNXIWSNGNABPA-NRFANRHFSA-N 419.444 3.858 0 50 HHAA C[C@@H](Cc1cccc(F)c1)C(=O)N(C)[C@H](C)CNC(=O)[C@H](C)Cc1cccc(F)c1 252537751 MFRDBWRXVUABJC-FGTMMUONSA-N 416.512 3.985 0 50 HHAA CC(C)Cn1nc(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c2ccccc2c1=O 433537394 DSCUUWLSTMYDCE-HRAATJIYSA-N 405.498 3.517 0 50 HHAA Cc1cccc(CSc2ccccc2NC(=O)C[C@H]2C(=O)NCCN2C(C)C)c1 952869337 HMIGFWXAJVODMB-FQEVSTJZSA-N 411.571 3.825 0 50 HHAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCN(Cc4ccc(F)cc4)CC1)(C3)C2 952980893 KZCVLLCOBZJHRY-OYYPCOLYSA-N 400.538 3.581 0 50 HHAA Cn1c(C(=O)N2CCC([C@@H]3OCCC[C@@H]3N)CC2)cc2cc(C(F)(F)F)ccc21 1775988742 FJWLPGKLMQBKES-LPHOPBHVSA-N 409.452 3.556 0 50 HHAA C=CC(=O)NC[C@H](NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1)c1ccc2ccccc2c1 1875386488 RLYARGKYLFAPJX-UPVQGACJSA-N 414.505 3.920 0 50 HHAA CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC 781483 MIIFOVJQSFPKRV-UHFFFAOYSA-N 412.515 3.637 0 50 HHAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@@H](C)O[C@H](C)C4)c3n2)cc1 815334 SZWJXPWLCXWQRE-ZIAGYGMSSA-N 400.429 3.892 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 983487 JTJOPSLDGLWKTD-SFHVURJKSA-N 424.522 3.880 0 50 HHAA Cc1cc(=O)oc2cc(NC(=S)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc12 2857007 YOHJTLGYGVZIGI-UHFFFAOYSA-N 420.494 3.708 0 50 HHAA Cc1cccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c1C 2993278 VFCDCKVKYGHYJF-UHFFFAOYSA-N 400.544 3.948 0 50 HHAA CCn1c(CN(Cc2ccncc2)CC2CCN(CCOC)CC2)nc2ccccc21 11936215 UGNGSIFVAVIGHK-UHFFFAOYSA-N 421.589 3.812 0 50 HHAA Cc1ccc([C@@H](C)CCN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)o1 11996739 ZQFJJVSAEIOORJ-IBGZPJMESA-N 401.595 3.880 0 50 HHAA O=C(CCC1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC(Cc2ccccc2)CC1 12031011 NMPQWTGBUDXARV-QHCPKHFHSA-N 412.574 3.666 0 50 HHAA COc1cc(CNCc2ccc(C)o2)ccc1OC[C@H](O)CN1CCCCCC1 12049275 HPXBJUYQVPSMBS-HXUWFJFHSA-N 402.535 3.502 0 50 HHAA COc1cccc(CN2C[C@H](C(=O)N(C)Cc3cccc4cnccc34)CCC2=O)c1 12582530 BBFBTZFMGILUJF-OAQYLSRUSA-N 417.509 3.641 0 50 HHAA COC(=O)[C@@H](NC(=O)c1cc(COc2ccc(F)cc2Cl)on1)c1ccccc1 12589510 KKDHWIPVDZISGK-SFHVURJKSA-N 418.808 3.690 0 50 HHAA COCCn1c(C(=O)OC)c(NC(=O)CC(C)C)c2cc(NCC(C)C)cnc21 14531104 IWTYUPMNIMTTKO-UHFFFAOYSA-N 404.511 3.522 0 50 HHAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 55343476 YJGZFCIQIOUXSI-JOCHJYFZSA-N 407.558 3.577 0 50 HHAA Cc1cc(C)n2nc(C(=O)N3CCC(c4[nH]ncc4-c4ccccc4)CC3)cc2n1 67868509 ROVBAJNRGFRGSS-UHFFFAOYSA-N 400.486 3.756 0 50 HHAA Cc1ccc(OCC(=O)Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1C 100744532 DBWQXUDREUECPB-BSWISCRUSA-N 419.477 3.823 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2C)cc1 101087323 BZMVTVGXEVMDRV-IRFCIJBXSA-N 412.555 3.804 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cccc(N(C)C)c4)C3)[nH]n2)cc1 169775345 HGXIKNQAWPNWGP-LJQANCHMSA-N 419.529 3.550 0 50 HHAA CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1NS(=O)(=O)c1ccccc1 242191314 XENUWLZAYOIVBA-HXUWFJFHSA-N 409.467 3.778 0 50 HHAA CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)c2C(N)=O)C1 245227709 MAKHAKHKBQWTRQ-DVKYCARXSA-N 416.543 3.604 0 50 HHAA COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C(C)C)c1 252470070 YOALAXPMLMCCLS-PKICCIJUSA-N 416.562 3.933 0 50 HHAA CN1CCN(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)[C@H](c2ccccc2)C1 1474791145 XCXLTRSVOMCFMO-DEOSSOPVSA-N 422.550 3.943 0 50 HHAA CCOCC(=O)N[C@H]1CCC[C@@H](CNC(=O)C2(c3ccccc3)CCCCC2)C1 1857704779 FSXATCPGKNEHQK-CTNGQTDRSA-N 400.563 3.716 0 50 HHAA COc1ccc(OCc2cccc(C(=O)N3N=C(C)C[C@@]3(O)C(F)(F)F)c2)cc1 652847 ZXPMLPPSBQPEBT-LJQANCHMSA-N 408.376 3.747 0 50 HHAA COc1ccccc1OCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O 674069 QDWSMMTXKFESJI-UHFFFAOYSA-N 410.495 3.772 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 983488 JTJOPSLDGLWKTD-GOSISDBHSA-N 424.522 3.880 0 50 HHAA O=C1c2cccc3cccc(c23)C(=O)N1CCCN1CCN(c2ccc(F)cc2)CC1 4193886 HUEQBQBFEDPHSG-UHFFFAOYSA-N 417.484 3.787 0 50 HHAA COc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccc(F)c(Cl)c3)S2)cc1 8994491 VKPDIMYFNQRRAK-OAHLLOKOSA-N 407.854 3.926 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4cn5ccccc5n4)C3)C2)c1 11662067 BBWDJJLHELVSKY-XMMPIXPASA-N 422.504 3.610 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cc(OC)c4c(c3)OCO4)C2)c(OC)c1 11945461 FPZJASYHJIQREP-INIZCTEOSA-N 413.470 3.536 0 50 HHAA COC(=O)c1sc2nc(CN(C)C(C)C)ccc2c1NC(=O)c1cncs1 11971575 FCEVKPSVHNKPTI-UHFFFAOYSA-N 404.517 3.632 0 50 HHAA Cc1c[nH]c(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)n1 12204017 AUFSXDGTIVIQSP-XMMPIXPASA-N 408.590 3.579 0 50 HHAA Cc1nc2sccn2c1CN1CCC2(CC1)C[C@@H]2C(=O)N1CCc2ccccc2C1 12246425 WFCKEDONVDQWJS-HXUWFJFHSA-N 420.582 3.891 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3ccc(OC)cc3OC)oc2C)C1 12298876 JASKYEOPUKLTNW-KRWDZBQOSA-N 415.534 3.748 0 50 HHAA O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)NCCCn1ccnc1 12299943 CNCDEBSJNNKVBT-UHFFFAOYSA-N 415.497 3.663 0 50 HHAA COc1ccc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)c(OC)c1OC 19771272 UETRWRFVOTVRAO-UHFFFAOYSA-N 400.563 3.655 0 50 HHAA O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19834883 LQHIOUUVJHEHQF-UHFFFAOYSA-N 407.392 3.784 0 50 HHAA Cc1nn(C)cc1[C@H](C)NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 20602439 CSSCVVXKDHIDPY-JTQLQIEISA-N 420.439 3.555 0 50 HHAA CCS(=O)(=O)c1ncc(CN2CCCC[C@@H]2c2cccnc2)n1Cc1ccccc1 55165917 NEVHUQYEKBUTJV-JOCHJYFZSA-N 424.570 3.847 0 50 HHAA O=C(c1ccccc1Cl)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55199249 NOGCVBNSUSSHJF-KRWDZBQOSA-N 401.913 3.906 0 50 HHAA CCCCn1c(CN2CCC[C@H](OCc3ccccc3)C2)cnc1S(=O)(=O)CC 55575891 BZJKFMQTTKCZCN-NRFANRHFSA-N 419.591 3.658 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)cc1 72433950 ZHKCJJCKLRVYIS-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CCN1Cc1cccs1 95508633 MADWWQPWNAMDTR-IBGZPJMESA-N 404.963 3.746 0 50 HHAA Cc1cc(Br)ccc1NCC(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 225505499 HQKGOHJDXRJFSS-IBGZPJMESA-N 421.335 3.806 0 50 HHAA CCCCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 238881471 AACYBGHKLHTHHO-WKILWMFISA-N 415.486 3.522 0 50 HHAA biogenic C[C@H]1C[C@@H](C)CN2c3c(F)cccc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]12 248098964 ONVIKMVYVZZACB-BDCMKYTISA-N 421.472 3.502 0 50 HHAA COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)c1noc([C@@H](C2CC2)N(C)C)n1 252499993 SLKZYRPWVDKMDE-IAGOWNOFSA-N 402.495 3.705 0 50 HHAA CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253498093 IAWKZZUGLFNRFG-VAYYGYMUSA-N 404.547 3.708 0 50 HHAA OC[C@]12[C@@H]3[C@H]4[C@H]([C@H]5CCC[C@H]53)[C@@]3(COc5ccccc5)[C@@H]5[C@@H]6[C@H](CC[C@H]6[C@]31O)[C@@H]2[C@@H]45 257356461 IEUFYJSOEMIWDR-MOWOGUKGSA-N 404.550 3.599 0 50 HHAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCC[C@@H](OCc2ccccn2)C1 1506400531 NOWWEGPBOVLWOY-HXUWFJFHSA-N 404.470 3.830 0 50 HHAA O=C(CCC(=O)N1CCOc2ccccc21)NCc1ccccc1-c1ccncc1 1875257859 OAZDGMRPEHNLLJ-UHFFFAOYSA-N 401.466 3.571 0 50 HHAA C=CC(=O)N1CCC(C(=O)/N=c2\sccn2Cc2ccc(Cl)cc2Cl)CC1 1875372124 XHJIKOMLOYTBFO-QOCHGBHMSA-N 424.353 3.757 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 2356158190 FBSCHROSZUTMOD-AWEZNQCLSA-N 405.882 3.778 0 50 HHAA COCCN1CCC[C@@]2(CCCN2Cc2ccc(OCCc3ccccc3)cc2)C1=O 2356166735 LRGZGZFDXWJYJK-AREMUKBSSA-N 422.569 3.912 0 50 HHAA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Br)c2)NC(=O)N1 725571 UJOSDPZUISTQJL-SFHVURJKSA-N 415.287 3.863 0 50 HHAA CCOC(=O)c1cc(CC)sc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 938599 LWCXIEDKOGEZBA-UHFFFAOYSA-N 414.483 3.502 0 50 HHAA CCOC(=O)CC1(NC(=O)c2cc(COc3c(F)cccc3F)on2)CCCCC1 11700625 DCMSQGJLYXBTFO-UHFFFAOYSA-N 422.428 3.918 0 50 HHAA COCc1ccc(CN2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3=O)C2)o1 11840151 AMNFINGMRYOHAW-JOCHJYFZSA-N 404.457 3.719 0 50 HHAA CN(C[C@H]1CCCCO1)C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 11881829 GFWDCEIWIMWELA-RDGATRHJSA-N 408.542 3.839 0 50 HHAA O=C1CC[C@@H](C(=O)N2CCc3sccc3C2)CN1CCc1ccc(Cl)cc1 11932752 JIMGRPJITQAOPP-QGZVFWFLSA-N 402.947 3.768 0 50 HHAA CSc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)O3)cc1 12048879 FIBGSKDNMCYWRQ-CTNGQTDRSA-N 410.539 3.506 0 50 HHAA CCS(=O)(=O)c1ncc(CN(C)Cc2sccc2C)n1Cc1ccccc1 12429670 FBYJFFXNHGQBJL-UHFFFAOYSA-N 403.573 3.727 0 50 HHAA O=S(=O)(c1cc2ccccc2s1)N1CCC(CO)(Cc2ccccc2)CC1 12439678 VPJZWBMBSSLISA-UHFFFAOYSA-N 401.553 3.907 0 50 HHAA COc1ccc(-c2n[nH]c(SCC(=O)Nc3nnc(-c4ccccc4)s3)n2)cc1 17028233 JRYULIPGYPQVNV-UHFFFAOYSA-N 424.511 3.730 0 50 HHAA Cc1ccn2c(CNCCc3ccc(O)cc3)c(C(=O)N3CCCCCC3)nc2c1 19866427 PKTPTWIUPIAVEP-UHFFFAOYSA-N 406.530 3.697 0 50 HHAA CN1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)C[C@H]1c1ccccc1 20993345 MDQVBAFVRVKUED-FQEVSTJZSA-N 413.424 3.661 0 50 HHAA Cc1ccc2[nH]c(CN3CCN(C4CCN(C(C)C)CC4)[C@H](CCO)C3)c(C)c2c1 22853584 FETKUUMNSXBMCP-JOCHJYFZSA-N 412.622 3.526 0 50 HHAA CCN(Cc1cnc(SC)nc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 55198427 CHPMRIPEFGFRQZ-HXUWFJFHSA-N 414.619 3.984 0 50 HHAA CN(C)c1cccc(-c2nc(-c3nnn4c3CO[C@H](c3ccccc3Cl)C4)no2)c1 169769195 LKLUEMQWNRZWGN-SFHVURJKSA-N 422.876 3.986 0 50 HHAA C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)o1 170672722 VRCWFFKZJGIMTG-FOIQADDNSA-N 424.497 3.911 0 50 HHAA CC1(C)OB(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(F)c2)OC1(C)C 221716339 WFXADFSUWLRSJG-UHFFFAOYSA-N 411.691 3.579 0 50 HHAA CN(C)Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cn1 225808086 PQMFNIHTHDVGBW-JOCHJYFZSA-N 420.582 3.734 0 50 HHAA COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3nc(SC)nn32)cc1 229865315 KOLZEXYQKJPCGE-JEBQAFNWSA-N 409.515 3.667 0 50 HHAA COc1cccc([C@@H]2CC(c3cccc(Cl)c3)=NN2C(=O)CCC(=O)O)c1OC 253432589 LNLZTUZBDVYEFP-KRWDZBQOSA-N 416.861 3.900 0 50 HHAA Cc1nn2c(c1C(=O)N1CCC(N3CCCCC3)CC1)N[C@@H](c1cccc(F)c1)C2 263617012 LQHPCASPVMTWBS-HXUWFJFHSA-N 411.525 3.588 0 50 HHAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)COc2ccccc2Cc2ccccc2)c1 328589386 BMAUOFPPFHCYTB-UPVQGACJSA-N 417.505 3.999 0 50 HHAA Cc1nc(NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c2c(C)csc2n1 328607913 XKCMOKVMKDRPFK-KBXCAEBGSA-N 412.563 3.842 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)NCc4c(C)n[nH]c4C)csc3C2)nc1 426604572 QRIYHDOWQLYMHO-UHFFFAOYSA-N 409.559 3.534 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)c3cnn(C(C)C)c3n2)cc1 443001352 OZOCLAZNNYNTLK-BYYSDGHJSA-N 416.525 3.829 0 50 HHAA Cc1cc(F)cc(S(=O)(=O)NCC(F)(F)c2ccc(Br)cc2)c1 1464123280 SMJGMQDKUHKAJJ-UHFFFAOYSA-N 408.239 3.967 0 50 HHAA O=C(c1cccnc1N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)N1CCCC1 1704338342 ROWBTIXISFFOTP-GCJKJVERSA-N 402.498 3.535 0 50 HHAA Cc1cc(Nc2nc(N)nc(COc3ccc4ccc(=O)oc4c3)n2)ccc1Cl 1776003437 PFKSWLBJLBASQV-UHFFFAOYSA-N 409.833 3.845 0 50 HHAA O=C(c1ccc(F)c(Cl)c1)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857712692 MIUWAHLDLSOBJD-NRFANRHFSA-N 401.869 3.972 0 50 HHAA CCCCCc1nc(C2CCN(c3nc4nc(C)ccc4o3)CC2)n(CCCO)n1 1857729308 WQBYRLMVHNOYHX-UHFFFAOYSA-N 412.538 3.622 0 50 HHAA COc1cc([C@@H](C)NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)sn1 1875336246 AKMNKAJDEAIAPM-SNVBAGLBSA-N 421.320 3.899 0 50 HHAA CC1(C)C[C@@](NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)(C(=O)O)CCO1 2325851792 JJEAXISCCQSDJO-HXUWFJFHSA-N 404.850 3.670 0 50 HHAA CCOc1ccc(-n2c(SCC(=O)N(CC)CC)nc3ccccc3c2=O)cc1 778512 FEKFDEVWGGMJJV-UHFFFAOYSA-N 411.527 3.745 0 50 HHAA Cc1ccc(N(Cc2ccc(C(=O)NCc3cccnc3)cc2)S(C)(=O)=O)cc1C 840187 UXNVEXQTFYPYPC-UHFFFAOYSA-N 423.538 3.595 0 50 HHAA COc1cccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)c1 886915 GMBYSQMYDLSZEL-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA Cc1ccc(-c2noc(CNC(=O)COc3ccc(C)cc3Br)n2)cc1 4512630 QPEDLMXGDAAYBL-UHFFFAOYSA-N 416.275 3.811 0 50 HHAA O=C1C[C@@H](c2ccc(OCc3ccccc3)cc2)c2c(n3ccsc3nc2=O)N1 4770535 VDWVFQRBELOPSK-KRWDZBQOSA-N 403.463 3.809 0 50 HHAA CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccnc3)cc2Cl)CC1 4973757 XLLWEIMFRZNCGR-UHFFFAOYSA-N 400.910 3.682 0 50 HHAA CCCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12 8628174 QFQCDHWRQLKZPD-UHFFFAOYSA-N 408.527 3.527 0 50 HHAA Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)CCc3ccccc3)s2)CC1=O 9198265 YCULZCTZLDHZRA-KRWDZBQOSA-N 406.511 3.938 0 50 HHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)[C@H]1Cc3ccccc3O1)O2 11788800 ARBPLWCGPWLODI-CJFMBICVSA-N 413.473 3.980 0 50 HHAA O=C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CCN1Cc1ccncc1 12034664 VDLWAUKNWHKZLA-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2cc(C)nn2C)C3)s1 12039720 MKNNOJIUYLYXMS-HNNXBMFYSA-N 413.474 3.532 0 50 HHAA CN(CC1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)c1ccc2[nH]nnc2c1 12305470 KHZQFSYVDNYEOV-UHFFFAOYSA-N 411.937 3.638 0 50 HHAA CC(=O)Nc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)cc1 12306524 OTAGIVVZHSLXFJ-HXUWFJFHSA-N 417.513 3.886 0 50 HHAA O=C(NC[C@@H]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1)c1cccnc1 12472138 CPKNGGULBGWQRE-AWEZNQCLSA-N 406.408 3.774 0 50 HHAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C 14539303 OVEMZPZLQDKVKL-LJQANCHMSA-N 400.567 3.568 0 50 HHAA CN(Cc1ccco1)C(=O)c1cc(-c2cccc3cccnc23)cc(-n2cnnn2)c1 14988518 RJKCPTLSJNDRNR-UHFFFAOYSA-N 410.437 3.743 0 50 HHAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CCOCC4)C3)cc2)c1 15067514 UXSXALNTEWHGID-NRFANRHFSA-N 422.525 3.966 0 50 HHAA COc1ccc(CCN2CCC[C@@H](CN(C)Cc3c(C)nn(C)c3Cl)C2)cc1 20211466 AOYMBJJKCTVGFX-IBGZPJMESA-N 404.986 3.777 0 50 HHAA CCCc1c(OC[C@H](O)CSc2cccc(C(=O)O)c2)ccc(C(C)=O)c1O 38990486 FWTHFQBEDBSWPB-HNNXBMFYSA-N 404.484 3.778 0 50 HHAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCCN2C)C3)s1 39354997 YDVFMXIQRPAVIG-AEFFLSMTSA-N 416.518 3.661 0 50 HHAA COc1ccc(-c2nnc(SCOC(=O)C(C)(C)C)n2C[C@H]2CCCO2)cc1 170591382 LUWMVKFWMIHFAX-MRXNPFEDSA-N 405.520 3.772 0 50 HHAA Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)Cc2ccccc2Cl)CC3)n1 299770988 UBUFMVMJYXPEDI-IBGZPJMESA-N 411.933 3.531 0 50 HHAA COc1ccccc1-n1cc(C(=O)N2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)cn1 824835132 LLMYXWRPLFYFQS-IBGZPJMESA-N 405.433 3.874 0 50 HHAA Cc1nccn1Cc1ccccc1NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1 952976776 GZCYLICQBDWFQN-JOCHJYFZSA-N 402.498 3.873 0 50 HHAA CCCn1nc(C23CC4CC(CC(C4)C2)C3)nc1[C@@H]1CCCN(CC(=O)O)CC1 1772710529 SFUGOLITYCWVLD-GYVBGXKYSA-N 400.567 3.810 0 50 HHAA Cc1nc(C[C@@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)n(-c2ccnn2C)n1 1857671508 ZOMBCDWHAMCHLK-AWEZNQCLSA-N 411.897 3.563 0 50 HHAA Cc1c(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc2ccccn12 1857711312 SMUBEKDBCMXQAT-UHFFFAOYSA-N 403.404 3.785 0 50 HHAA O=C(c1ccc(O)cc1F)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356153561 MCLUFPPASUXVCP-PNQHUFSXSA-N 422.500 3.616 0 50 HHAA CC(C)[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 626454 IMWGEOYOILNHFC-MRXNPFEDSA-N 401.260 3.708 0 50 HHAA CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N1CCc2ccccc2C1 1206373 AYXSNCPEHHJRLJ-UHFFFAOYSA-N 420.534 3.851 0 50 HHAA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2Cl)NC(=O)N1C 2057827 KOCXSCGTLRZKQX-IBGZPJMESA-N 400.862 3.932 0 50 HHAA CCOC(=O)c1ccccc1NC1=C[C@](C)(C(=O)OCC)N(c2ccccc2)C1=O 2266286 MRASNRVIMAUAAM-HSZRJFAPSA-N 408.454 3.528 0 50 HHAA Cn1nnnc1SCCNCc1c(OCc2ccccc2)ccc2ccccc12 2441865 DJHYDSZCFLEUJY-UHFFFAOYSA-N 405.527 3.824 0 50 HHAA COc1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 2873909 FRTMAGZMKXHAID-LLVKDONJSA-N 417.314 3.795 0 50 HHAA COc1cc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c(C)cc1C 4809300 HRZQVOLKUHVASI-UHFFFAOYSA-N 408.483 3.823 0 50 HHAA CC(C)C(=O)Nc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 4814250 QTMQMAWSQCHGAQ-UHFFFAOYSA-N 417.512 3.547 0 50 HHAA Cc1ccc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)o1 11821257 WQMJYFMJUYMFSR-UHFFFAOYSA-N 405.498 3.956 0 50 HHAA COc1ccc2c(C)nc(N3CCC(C(=O)NCCc4ccc(C)cc4)CC3)nc2c1 11977801 RQQMLPGNYPREGP-UHFFFAOYSA-N 418.541 3.831 0 50 HHAA Cc1c[nH]c(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)n1 12204008 AUFSXDGTIVIQSP-DEOSSOPVSA-N 408.590 3.579 0 50 HHAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2nnc(CCc3ccccc3)s2)CC1 12381275 KMMMREVJADMCAB-UHFFFAOYSA-N 400.548 3.547 0 50 HHAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C 14541114 YGDLGABTKGVDOA-HXUWFJFHSA-N 414.594 3.958 0 50 HHAA Cc1nnc(SCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)o1 15070007 KHHRQZZYSCJGMQ-INIZCTEOSA-N 415.494 3.625 0 50 HHAA CCCC[S@@](=O)C[C@@H](COC(=O)c1ccc(Cl)cc1)[S@](=O)CCCC 36505294 NIRPRRAVLOKFOQ-XATISFHKSA-N 406.997 3.963 0 50 HHAA Cc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)cc1 65363155 SANQDCPSUQVTLG-SFHVURJKSA-N 402.502 3.744 0 50 HHAA O=C1NCCC[C@@H]1C(=O)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67783704 ZZMRNJKHXSVAIL-KRWDZBQOSA-N 422.506 3.521 0 50 HHAA C[C@@H]1CCCN1C(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 72481173 VGSPJHSHHBHQDN-CQSZACIVSA-N 410.905 3.851 0 50 HHAA CN(Cc1ccc2nsnc2c1)C(=O)c1cn(Cc2cccc3ccccc23)nn1 77383575 VXWCZUPLWZHBOH-UHFFFAOYSA-N 414.494 3.757 0 50 HHAA CCC(C)(C)c1ccc(OC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239203439 SJRYELQMMMOVLI-UALGEBADSA-N 407.510 3.723 0 50 HHAA CCN(C(=O)c1cc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)ccc1Cl)C(C)C 253430786 FWGSLAPLANFZBO-INIZCTEOSA-N 419.953 3.798 0 50 HHAA COc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)cc1F 263617910 QIYVLTPKZZKIQW-QGZVFWFLSA-N 402.813 3.603 0 50 HHAA Cn1c([C@@H](Cc2ccccc2)NC(=O)C[C@H]2NC(=O)c3ccccc32)nc2ccccc21 334160728 LDSYTBVBYZUWEM-FGZHOGPDSA-N 424.504 3.848 0 50 HHAA O=C(c1cc(C(F)(F)F)ccc1F)N1CCN(C(=O)c2c(F)cccc2F)CC1 471705131 IOWHZSWRCLLWOV-UHFFFAOYSA-N 416.321 3.721 0 50 HHAA O=C(c1ncccc1Br)N(Cc1ccccc1)C[C@H](O)c1ccco1 793626206 UKAXLGOZRLCOOO-INIZCTEOSA-N 401.260 3.813 0 50 HHAA CCCN1CCC[C@H](c2nc(Cc3ccc(OC)cc3)nn2CCOCC)CC1 1772806907 GZTXBSHUMOGNMU-FQEVSTJZSA-N 400.567 3.894 0 50 HHAA CC(C)N(C)C(=O)[C@@H]1CCCN(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)C1 1875257115 LVWGXQRLKMJFRU-GFCCVEGCSA-N 424.314 3.789 0 50 HHAA NC(=O)c1ccc(CN2CCC(c3ncc(-c4ccc(F)c(F)c4)[nH]3)CC2)s1 2325719782 VEYXUSWZCFZMBK-UHFFFAOYSA-N 402.470 3.895 0 50 HHAA COC(=O)c1ccc(S(=O)(=O)NCc2noc(-c3ccccc3)c2C)cc1Cl 2325818941 HMNWZGGNBNQZOK-UHFFFAOYSA-N 420.874 3.569 0 50 HHAA COc1ccc(CC(=O)N2CCC[C@]23CCCN(c2ccc(C)cc2)C3=O)cc1F 2356151877 DUJPBVAGBLLEKJ-DEOSSOPVSA-N 410.489 3.873 0 50 HHAA COCCN1CCC[C@]2(CCCN2Cc2ccc(OCc3ccccc3)cc2)C1=O 2356168669 AIJSJBBNKRYJBK-VWLOTQADSA-N 408.542 3.869 0 50 HHAA COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1F 624203 LRVPCVSUSMQZHH-UHFFFAOYSA-N 416.474 3.673 0 50 HHAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1 915933 LVFLAQWNCZHCGE-VQTJNVASSA-N 418.449 3.873 0 50 HHAA O=C(NCc1cccnc1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 1062247 OICGUUJJQSEUDC-IAGOWNOFSA-N 401.392 3.868 0 50 HHAA O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cc(-n2cnnc2)ccc1Cl 1079130 FJLBZVDBRUWAEF-UHFFFAOYSA-N 423.904 3.728 0 50 HHAA O=C1C[C@H](SCCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(F)c(Cl)c1 1115529 XHWSBCIMTXDORR-INIZCTEOSA-N 403.866 3.963 0 50 HHAA CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1 1129898 HRZOXKXOVBIXLC-UHFFFAOYSA-N 414.556 3.653 0 50 HHAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 1160669 IWBHELOOLBVLKS-UHFFFAOYSA-N 422.934 3.696 0 50 HHAA CCOC(=O)c1sc2nc3c(cc2c1NC(=O)N1CCCC1)COC(C)(C)C3 9418506 JPKDCQZODFSJPN-UHFFFAOYSA-N 403.504 3.952 0 50 HHAA COCC1CCN(Cc2cccc(OC[C@H](O)CN(C)C3CCCCC3)c2)CC1 11816719 NFGVGRBYNUIFKA-HSZRJFAPSA-N 404.595 3.549 0 50 HHAA CCOC(=O)[C@H]1CCCCN1C(=O)c1csc2nc(-c3cccc(OC)c3)cn12 11932740 LWFVTGHAVVUJHQ-QGZVFWFLSA-N 413.499 3.629 0 50 HHAA COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(F)(F)F 11970619 JGWUBYGEESGXRC-LRDDRELGSA-N 424.806 3.997 0 50 HHAA Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CCN(C2CCSCC2)CC3)cc1 11996062 ZGXDDSMWHVNZLH-NRFANRHFSA-N 402.604 3.830 0 50 HHAA CCn1ccnc1CN1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 12208407 MQUUWJRPYBOREI-GOSISDBHSA-N 405.502 3.941 0 50 HHAA COc1ccc(-c2cn3c(C(=O)N(C)CCc4ccccn4)csc3n2)cc1F 12302978 QVPPWXUUOSSVEV-UHFFFAOYSA-N 410.474 3.920 0 50 HHAA CCOC(=O)c1ccc(CNc2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)o1 12411134 ZOMHSTRBUNJHTM-UHFFFAOYSA-N 421.302 3.626 0 50 HHAA Cc1[nH]c2nc(NCc3cccc(Br)c3)nn2c(=O)c1Cc1ccccc1 101272287 IQFOLMQRSFXDFG-UHFFFAOYSA-N 424.302 3.691 0 50 HHAA Cc1nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2[nH]1 117445039 BDXXSFOJPYSYOC-UHFFFAOYSA-N 405.502 3.700 0 50 HHAA investigational CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 303860053 TVIUDVZYFCIDDV-UHFFFAOYSA-N 411.514 3.900 0 50 HHAA COc1ccc(Oc2ccc(NC(=O)[C@@H](c3cccnc3)N3CCOCC3)cc2)cc1 824684117 TZMAVMJNGKYVRO-HSZRJFAPSA-N 419.481 3.895 0 50 HHAA O=C(c1ccccc1C(F)(F)F)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857694364 NBJNOQPFMLUCOD-HXUWFJFHSA-N 404.388 3.595 0 50 HHAA O=C(c1cccn1C1CC1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857714179 MFLFJCMKJJCUCN-XMMPIXPASA-N 415.497 3.501 0 50 HHAA CC(C)(c1ccccc1)c1n[nH]c(=NC(=O)NCc2ccc(-c3cc[nH]n3)cc2)s1 1875256401 QSGSNDKSASTDHP-UHFFFAOYSA-N 418.526 3.998 0 50 HHAA CC(C)(C)NC(=O)CSc1nc2ccccc2nc1SCC(=O)NC(C)(C)C 1083202 MVKNRHNRCVFILR-UHFFFAOYSA-N 420.604 3.643 0 50 HHAA CC(=O)Oc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1 1178048 XCULAFMRUICBJF-UHFFFAOYSA-N 418.405 3.815 0 50 HHAA biogenic Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2780720 JKZKPKJKDHWXMT-PSASIEDQSA-N 403.836 3.913 0 50 HHAA CCOC(=O)c1cc(NC(=O)Nc2ccc(OC)c(OC)c2)cc(C(=O)OCC)c1 2853965 VGPDHNVNXKQOPC-UHFFFAOYSA-N 416.430 3.701 0 50 HHAA CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1 11663835 POXGQUIVUMKAMX-UHFFFAOYSA-N 420.517 3.735 0 50 HHAA Cc1ccccc1Cn1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nn1 12316331 SZWAJVCUVCWHAU-SFHVURJKSA-N 400.486 3.531 0 50 HHAA COc1ccc(CCN2CCC(CN(C)Cc3nc4ccccc4n3C)CC2)cc1 12433397 NFXIBOXKWOEDGZ-UHFFFAOYSA-N 406.574 3.968 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3c(C)cccc3Cl)n2)ccc1C 16624993 JJDDRTITYQCMSF-UHFFFAOYSA-N 424.888 3.778 0 50 HHAA COc1cccc(CN2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)c1OC 19222086 VINNPEONMNZKDA-QFIPXVFZSA-N 409.574 3.799 0 50 HHAA COc1cc(OC)c(NC(=O)[C@@H](C)n2nc(-c3ccccc3)ccc2=O)cc1Cl 20095719 WBQOVLJAXVMSDI-CYBMUJFWSA-N 413.861 3.781 0 50 HHAA CCc1nn2c(nnc3c(=O)n(C[C@@H]4CCCO4)ccc32)c1-c1ccc(Cl)cc1 40395952 DSQRAXPYTHEFOL-HNNXBMFYSA-N 409.877 3.501 0 50 HHAA CCN(C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)C1CCCCC1 82138815 LZAGTCHOUVZYDA-JOCHJYFZSA-N 412.622 3.939 0 50 HHAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccccc1 110886488 XKSMGRAMABZIDW-DNQXCXABSA-N 413.521 3.741 0 50 HHAA Cc1nc2c(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)c(Cl)ccc2s1 225474673 OHDLCNJDZQSYKL-UHFFFAOYSA-N 420.922 3.794 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)N2CCSC23CCCCC3)cc1)c1ccncc1 225830943 CWOLIFDPDPZISR-UHFFFAOYSA-N 417.556 3.732 0 50 HHAA COc1ccccc1C(=O)N1[C@H](C(=O)NCCc2ccsc2)C[C@@H]2CCCC[C@H]21 230132687 RNZWCNJVCCXJMJ-SXLOBPIMSA-N 412.555 3.889 0 50 HHAA COc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239090991 HOMHFMIPIGNPOE-KIHPVRBWSA-N 414.461 3.505 0 50 HHAA COc1ccc([C@H]2Cn3cnc(C(=O)NCc4ccc(OC(C)C)cc4)c3CO2)cc1 263616677 KACVLRNGWSZFTQ-JOCHJYFZSA-N 421.497 3.880 0 50 HHAA O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2C(F)(F)F)C1 299779897 IYGKMRFSLUJRFM-APWZRJJASA-N 424.463 3.585 0 50 HHAA COCCn1cc([C@H]2[C@H](CNCc3cccc(C)c3C)CC(=O)N2C(C)(C)C)cn1 328607365 VXNJZFBWJKZRFB-NZQKXSOJSA-N 412.578 3.624 0 50 HHAA Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@H]3CNCC[C@H]3C)cc12 427586291 CWGFCDROYMSBTK-SJKOYZFVSA-N 402.951 3.836 0 50 HHAA Cc1cc(NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)ccc1NC(=O)c1ccco1 1356026733 RGKJIZGNEHPSAL-XMMPIXPASA-N 417.465 3.627 0 50 HHAA C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(c2ccc([C@@H]3CCC(=O)N3)cc2)C1=O 1875335135 TWXBTXJYDPLVEB-JXFKEZNVSA-N 417.387 3.628 0 50 HHAA CCn1c(N[C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)nc2ccccc21 648828 XPZZWSBGLGQYPY-AWEZNQCLSA-N 402.376 3.819 0 50 HHAA CC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 715315 AOTYONFJVOQRAK-QFIPXVFZSA-N 412.445 3.735 0 50 HHAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1147522 CNHWQFZXUKMTPS-UHFFFAOYSA-N 404.841 3.870 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cccc(OCC)c1OC 2873980 ZYVVLXQMSIUSGK-IBGZPJMESA-N 412.511 3.587 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N(C)CC[C@H]4CCCCO4)C3)nc2c1 11909697 CVJXUUIJPPOSPF-WOJBJXKFSA-N 410.562 3.881 0 50 HHAA O=C(NCc1c(F)cccc1F)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12058488 WIEIKUYEKPHUAO-HNNXBMFYSA-N 406.860 3.716 0 50 HHAA O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1cn(Cc2ccc(Cl)cc2)nn1 12090951 SAENULSHNODELC-HXUWFJFHSA-N 423.948 3.589 0 50 HHAA COc1cc(OC)c(OC)cc1CN1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 12590918 POZHMRNLSJOKCB-MRXNPFEDSA-N 413.470 3.536 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCC[C@@H](OCc4ccccc4)C3)n2)cc1 12702057 RBBPOUPXKMMYKU-HXUWFJFHSA-N 407.470 3.704 0 50 HHAA CC(C)(C)CN1CCC(Oc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2Cl)CC1 12703158 QHLHZEUGULXLPF-QGZVFWFLSA-N 408.970 3.826 0 50 HHAA Cc1cc(C(=O)NCc2ccc(F)cc2)c2c(-c3ccc4c(c3)OCO4)noc2n1 13641558 YWAYQEJZWIQAGR-UHFFFAOYSA-N 405.385 3.996 0 50 HHAA CNS(=O)(=O)c1cc(NCC(C)(C)C)cc(C(=O)Nc2ccc3c(c2)CCC3)c1 14748023 DGPUDCCGUXZCDO-UHFFFAOYSA-N 415.559 3.794 0 50 HHAA Cc1ccc(-c2cccc3c2O[C@H](CNC(=O)c2ccc4c(c2)OCCO4)C3)nc1 14984259 PWSBCOLONLUWLO-SFHVURJKSA-N 402.450 3.562 0 50 HHAA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CC(=O)N(C1CCCCC1)C1CCCCC1 18116434 HVKBCQRKIKYMBQ-OALUTQOASA-N 406.954 3.998 0 50 HHAA Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 20103514 PZFVRRFHBUNNSB-NRFANRHFSA-N 411.465 3.856 0 50 HHAA O=C(CCn1ccc(C(=O)Nc2ccc(F)cc2F)n1)Nc1ccc(F)cc1F 20617273 KLYYMSOGECMKHC-UHFFFAOYSA-N 406.339 3.721 0 50 HHAA CC(C)Cn1c(CN(C)C[C@@H]2CCCCO2)cnc1S(=O)(=O)Cc1ccccc1 55283901 CHOJHMPDZUQMKB-NRFANRHFSA-N 419.591 3.514 0 50 HHAA C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 170623112 XZGYRANEBLFPOQ-HPQBIULASA-N 412.599 3.973 0 50 HHAA COc1ccccc1N1CC[C@@H](C)N(Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 225613935 VERCQZZRVMPICU-MRXNPFEDSA-N 422.485 3.575 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@H](C(=O)N(CC4CC4)C[C@H]4CCCO4)C3)nc2c1 244811808 SLPUODFLPUMGEM-LEWJYISDSA-N 422.573 3.881 0 50 HHAA C[C@H]1[C@@H](NC(=O)CCc2nc(C3CCCC3)no2)[C@H](C)CCN1C(=O)OC(C)(C)C 253418699 ZUFALUYLVNOBEM-VCBZYWHSSA-N 420.554 3.810 0 50 HHAA Cc1cc(CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)nc(N2CCCC2)n1 495229098 NCTLAABTOSCAOL-UHFFFAOYSA-N 418.545 3.956 0 50 HHAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1cc(-c2ccc(Br)s2)[nH]n1 888088669 KTUXBMYFCFQXQQ-DOMZBBRYSA-N 423.380 3.895 0 50 HHAA COc1cc(-c2onc(N(C)C)c2C(=O)N(C)CCN2CCCC[C@@H]2C)ccc1F 1704311305 DTSNDLGSNHBUAP-HNNXBMFYSA-N 418.513 3.502 0 50 HHAA O=C(CCc1cc(F)ccc1F)NC1CC(NC(=O)CCc2cc(F)ccc2F)C1 2325706945 JLZXWCBDAJQZJH-UHFFFAOYSA-N 422.422 3.572 0 50 HHAA Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)c(Br)c1 1155713 JLTYRNUNNMLZEL-HNNXBMFYSA-N 420.284 3.880 0 50 HHAA COc1cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc(OC)c1OC 1199636 QNTWCRLAYIZKAG-GOSISDBHSA-N 412.471 3.789 0 50 HHAA NC(=O)c1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2818676 ZZQDFAOKXOEUAD-UHFFFAOYSA-N 411.417 3.982 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 2879683 YSLPLFOKPBUSNK-UHFFFAOYSA-N 421.277 3.546 0 50 HHAA COc1ccc(CCN2CCC[C@@H](CN(C)Cc3cnc(SC)nc3)C2)cc1 11873390 JTSUBCGXYSTHOI-IBGZPJMESA-N 400.592 3.594 0 50 HHAA Cc1ccc(F)cc1CNC(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C 12047492 YZKNPBJEAXNCJU-MRXNPFEDSA-N 414.506 3.968 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 12056594 UHLQKDVYINWYRN-LJQANCHMSA-N 406.482 3.523 0 50 HHAA Cc1ccc(CN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)o1 12317283 VGZIDSFXMDNOMV-UHFFFAOYSA-N 415.559 3.841 0 50 HHAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(COC)o1 12458001 UZCVJDZDRUYTBU-FQEVSTJZSA-N 414.546 3.851 0 50 HHAA COc1cc(CC(=O)N[C@@H](C)c2cnn(-c3ccccc3C)c2C)cc(OC)c1OC 12475443 KCQQATFDUABDCR-INIZCTEOSA-N 423.513 3.935 0 50 HHAA CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(N3CCNC3=O)cc2)CC1 12595799 BTFJKKDTRCZQTF-UHFFFAOYSA-N 421.541 3.604 0 50 HHAA Cc1cccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)n1 12713029 FIFRIBHZBIXBPS-IBGZPJMESA-N 421.526 3.850 0 50 HHAA O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)[C@H]1CC=CC[C@H]1C(=O)O 17090761 SAGPQNGYCCGCHP-LSDHHAIUSA-N 416.543 3.859 0 50 HHAA Cc1cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc(N2CCCCC2)n1 67603760 MAIPPAGAELZIJC-UHFFFAOYSA-N 415.541 3.891 0 50 HHAA CS[C@@H](C)C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c12 77406446 JHQJUXXEJCLKNT-LBPRGKRZSA-N 414.462 3.811 0 50 HHAA COc1ccc(CN2CCN(Cc3nc4ccccc4s3)C[C@H]2CCO)c(F)c1 104373187 CDIVYHKVKBMCAA-QGZVFWFLSA-N 415.534 3.513 0 50 HHAA COc1ccc(/C=C/CN2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 105281626 OTXKROYQFNDYJJ-NVIZVJJSSA-N 410.558 3.594 0 50 HHAA COc1ccc2[nH]c([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)nc2c1 170598439 QHFGKCLWIUUIEZ-KKSFZXQISA-N 422.529 3.902 0 50 HHAA CC(C)(C)OC(=O)N1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 225518545 OIODSLKRWDJSGG-NRFANRHFSA-N 409.530 3.597 0 50 HHAA Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(Cl)cc2)cc1Cl 245226392 UULNPHDSVQHYTC-GBESFXJTSA-N 416.308 3.837 0 50 HHAA CN1C[C@H](c2cccs2)[C@@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 248122999 KREXOOXCKFMSFM-VEYWIMSWSA-N 416.502 3.886 0 50 HHAA CCOc1ccc(NC(=O)c2cc(Cl)cc(Br)c2F)c(C(N)=O)c1 253432562 LDWMDBNYAUKLNY-UHFFFAOYSA-N 415.646 3.992 0 50 HHAA Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(Br)c(Cl)c2)nn1 479571772 WJLYMVQEGHNTTM-UHFFFAOYSA-N 406.671 3.947 0 50 HHAA O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@H](C(=O)O)c1ccccc1 486297028 YDWXDZGTESMQHQ-VXKWHMMOSA-N 416.477 3.532 0 50 HHAA COc1ccc2cc(C(=O)NCCn3ccc4ccccc43)sc(=O)c2c1OC 824519475 MJTSRESVCOBSPI-UHFFFAOYSA-N 408.479 3.663 0 50 HHAA COC(=O)c1ccc(-c2oc3cc(C)oc(=O)c3c2-c2c(O)oc(C)cc2=O)cc1 888089809 IYDPCNMOCWXTKQ-UHFFFAOYSA-N 408.362 3.782 0 50 HHAA Cc1ccsc1CNc1cccc(C(=O)N2CCN(CC(C)C)[C@@H](CCO)C2)c1 1506425725 GXTRWTOOGADWKA-NRFANRHFSA-N 415.603 3.833 0 50 HHAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)C1(c2ccc(Cl)cc2)CCC1 1529094572 HWTFPKYDWQRUDE-KRWDZBQOSA-N 421.950 3.573 0 50 HHAA Cc1cc(=O)c(O)c(C2(CC(=O)NCC3(N(C)C)CCCCC3)CCCCC2)o1 1857526970 ZUBNEBACPZCSNK-UHFFFAOYSA-N 404.551 3.627 0 50 HHAA O=C(Nc1ccc2c(c1)C(=O)NC2=O)N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 1875318555 SCCUCHMCCVFOLY-CTNGQTDRSA-N 413.433 3.957 0 50 HHAA COc1cccc(C(=O)N(Cc2ccccc2Br)[C@H](C)CCCO)n1 1875327761 JYVCVCFESAJBHZ-CQSZACIVSA-N 407.308 3.656 0 50 HHAA Cc1cccc(C(=O)N[C@H]2CC[C@@H](n3cc(C(C)(C)C(=O)O)nn3)CC2)c1Cl 1875356351 UPFPIGZAEOOMMB-OKILXGFUSA-N 404.898 3.516 0 50 HHAA COc1ncc(-c2nc([C@@H](OC)C3CC3)nn2[C@@H]2CCc3c(F)cccc32)nc1C 2325872896 RCGIYTKHDFYOJQ-MOPGFXCFSA-N 409.465 3.824 0 50 HHAA COc1ccc(-c2nc3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n3n2)cc1 2699629 HPCPPZNVCGJBIW-DHDCSXOGSA-N 404.278 3.681 0 50 HHAA COc1ccc(N2C(=O)C[C@H](SCCC(=O)Nc3cccc(C)c3C)C2=O)cc1 4820460 GKMWKTDPHJQZIK-IBGZPJMESA-N 412.511 3.706 0 50 HHAA CCOc1ccccc1C(=O)NCC1CCN(C(=O)c2ccccc2OCC)CC1 4902749 BMHKEJYNRWWQHV-UHFFFAOYSA-N 410.514 3.766 0 50 HHAA CCC(CC)C(=O)NCc1cc(NC(=O)c2ccccc2OC)cc(C(=O)OC)c1 11908874 UABNKIKLTCOKJR-UHFFFAOYSA-N 412.486 3.787 0 50 HHAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)c1 11934454 YMINTTSJVVTJNL-NRFANRHFSA-N 407.963 3.963 0 50 HHAA CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(Cc2ccoc2)CC1 11971782 GLDIOTVSTBTAKC-HSZRJFAPSA-N 406.530 3.609 0 50 HHAA Cc1cnc(C)c(-c2ccc(F)c3c2O[C@@H](CNC(=O)CCc2ccccc2)C3)n1 11995693 NCHKOEUVOWXKBF-GOSISDBHSA-N 405.473 3.952 0 50 HHAA O=S(=O)(c1ccccc1Cl)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 12440780 BNCDHYUJLINDTD-LJQANCHMSA-N 414.354 3.999 0 50 HHAA CN(CCC1CCOCC1)Cc1cccc(OC[C@H](O)CN2CCCCCC2)c1 12715763 ZBLBZXPUCRZVLQ-HSZRJFAPSA-N 404.595 3.551 0 50 HHAA O=C1CN(CCc2ccccc2)C[C@H](OCc2ccccn2)CN1Cc1ccccc1 14541962 XEOTXAIJHORAJF-VWLOTQADSA-N 415.537 3.554 0 50 HHAA CCN1CCC[C@H]1CNc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 19228976 HPCGLZDVDKIVEF-NRFANRHFSA-N 403.530 3.798 0 50 HHAA Cc1ccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)s1 169754931 DQXNRGVBQIKQJF-UHFFFAOYSA-N 420.332 3.733 0 50 HHAA CCOc1ccccc1-c1noc(-c2nnn3c2CO[C@@H](c2ccc(OC)cc2)C3)n1 169758351 KCZKKEROIRFTHW-LJQANCHMSA-N 419.441 3.674 0 50 HHAA COc1ccc(OC)c(/C=C/C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 225561031 VDJUHQRDSGWWGX-ZZXKWVIFSA-N 409.408 3.796 0 50 HHAA CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 229906951 HFSUCFZKYLYZFV-GDIGMMSISA-N 402.926 3.850 0 50 HHAA CCc1c(C)sc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1C(=O)NC1CCCC1 239412329 SOKFIIRCISZMOK-MGBSGCIJSA-N 416.543 3.753 0 50 HHAA O=C1CCCc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)cc21 427034642 OXLNXZZALBFKQE-KRWDZBQOSA-N 416.481 3.573 0 50 HHAA CCc1nc(-c2ccc(C(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)cc2)n[nH]1 432937440 LCMLOEPNKRNEGC-GOSISDBHSA-N 404.470 3.783 0 50 HHAA O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cc(N3CCCC3)ccn2)cc1 446109026 PWQNXDNBOBYJBL-UHFFFAOYSA-N 414.509 3.907 0 50 HHAA Cc1cn2cc(NC(=O)[C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)ccc2n1 463609929 GEUJVVUUGMYNGO-LJQANCHMSA-N 419.312 3.962 0 50 HHAA Cc1ccc([C@H](NC(=O)COC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C2CC2)cc1 748904916 YJHHSDCDJAIIAZ-QHCPKHFHSA-N 416.477 3.978 0 50 HHAA O=C(CC12CC3CC(CC(C3)C1)C2)N(Cc1ccccc1)[C@H](CO)Cc1cnc[nH]1 828664416 JQNWSQPEFTUQQM-RZTYHALVSA-N 407.558 3.948 0 50 HHAA CSCC[C@H](C(=O)Nc1cccc2[nH]ccc12)n1c(O)nc2ccccc2c1=O 888089731 CMDYDGXSDIWWKW-GOSISDBHSA-N 408.483 3.516 0 50 HHAA COc1cc(CN2CCC[C@H](CNC(C)=O)C2)ccc1OCc1cccc(F)c1 952962442 BREXPVBIPCNLQL-HXUWFJFHSA-N 400.494 3.761 0 50 HHAA Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)n1 1318610971 OOHOOKWHBKZJOR-QGZVFWFLSA-N 412.921 3.887 0 50 HHAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc4cccc(Cl)c4n3C)C1)CC2 1704297036 DGTNOXNJZRILEQ-QHCPKHFHSA-N 423.948 3.808 0 50 HHAA Cc1nc[nH]c1C(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857701049 LEFYPJGHSYFBMN-OAQYLSRUSA-N 410.562 3.820 0 50 HHAA CCn1ncc(NC(=O)C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)c1C 2325820220 HJPAGXBQHXNBLX-UHFFFAOYSA-N 409.317 3.738 0 50 HHAA COc1ccc(OCC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1 676650 CWHWEGWEQBXHPG-UHFFFAOYSA-N 410.495 3.772 0 50 HHAA COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2nc3ccccc3s2)c1 849078 UTFOQTLOJQRYNF-GOSISDBHSA-N 410.451 3.803 0 50 HHAA CCOc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 2881169 CMTNHKABFHSIQN-UHFFFAOYSA-N 422.522 3.582 0 50 HHAA Cc1ccc(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 2899103 LYWHQEBRRITEKZ-UHFFFAOYSA-N 408.523 3.549 0 50 HHAA O=C1C[C@@H](NCC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Br)cc1 4452361 VYHPNWLBYVEQIH-YXSDIZSPSA-N 417.347 3.887 0 50 HHAA COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 4599790 OSJQIBYXAOXUTH-LFYBBSHMSA-N 414.527 3.768 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)CSc3nc(C)cs3)C2)cc1F 11815967 JPMZTGJAVNBGQX-AWEZNQCLSA-N 408.520 3.813 0 50 HHAA O=C(N[C@H]1CCCN(c2nc3ccccc3s2)C1)c1ccccc1N1CCOCC1 11937344 MKQXPLJPEFLKJL-KRWDZBQOSA-N 422.554 3.532 0 50 HHAA CCc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3ccccc3Cl)C2)cc1 12315095 NOPBEBBPGMEYQV-QGZVFWFLSA-N 420.962 3.733 0 50 HHAA CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NC(=O)CCCN2CCCC2=O)C1 12576971 IRAJFOAQJRKFLJ-IBGZPJMESA-N 412.509 3.544 0 50 HHAA O=C(c1csc2c1CCCC2)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 12836341 UYTNHCKBEKSUEI-CQSZACIVSA-N 424.613 3.519 0 50 HHAA O=C(Nc1ccccc1)[C@H]1CC12CCN(C(=O)c1cc3ccccc3oc1=O)CC2 14979021 ODSOLWIQUCNDLB-LJQANCHMSA-N 402.450 3.674 0 50 HHAA Cc1ccc(F)cc1CNC(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 15072929 SRLWYKZWFZQVEE-KRWDZBQOSA-N 402.897 3.885 0 50 HHAA Cc1ccc(C(=O)NCCn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 169754441 KRGMGYZTSMIGGQ-UHFFFAOYSA-N 416.437 3.672 0 50 HHAA COc1ccccc1CCC(=O)NCc1nnc2ccc(-c3ccc(C)c(C)c3)nn12 169778587 ZGFDIMKYMDTBQR-UHFFFAOYSA-N 415.497 3.666 0 50 HHAA O=C(/C=C/c1ccco1)Nc1cnn(C[C@@H]2CCCCN2C(=O)/C=C/c2ccco2)c1 170611341 MBRJTJLSZQEDCB-LLJCHCERSA-N 420.469 3.816 0 50 HHAA CC(C)C[C@@H](NC(=O)Cc1nnc(O)c2ccccc12)c1nc2ccccc2n1C 252478333 AJMACMUSLIHDRB-LJQANCHMSA-N 403.486 3.668 0 50 HHAA Cc1cc(NC(=O)CN[C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1Br 253415743 RMAZQVBCSWZSOJ-QUCCMNQESA-N 402.336 3.731 0 50 HHAA COc1ccc([C@@H](CC(=O)Nc2cccc(F)c2)c2c(O)cc(C)oc2=O)cc1O 253471524 URJPQDLQUQBJLY-MRXNPFEDSA-N 413.401 3.668 0 50 HHAA CSc1cccc(N2C[C@@H](C(=O)N(C)C3CCN(c4ccccc4)CC3)CC2=O)c1 328593397 PEOHFUUUKFKNCJ-SFHVURJKSA-N 423.582 3.889 0 50 HHAA CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1ccc(F)cc1OCC(F)F 438943574 OSZMXEOPXSABRB-UHFFFAOYSA-N 407.797 3.779 0 50 HHAA COc1ccc(C2(CNC(=O)c3ccccc3Cn3cncn3)CCCCC2)cc1 463160099 HVERNILVHKPWBN-UHFFFAOYSA-N 404.514 3.967 0 50 HHAA CN1CCN(c2ccc(C(=O)Nc3ccc(OC[C@@H]4CCCCO4)cc3)cc2)CC1 823792731 JZKCZYYSURPICD-QHCPKHFHSA-N 409.530 3.639 0 50 HHAA O=S(=O)(NC1CCN(Cc2cccs2)CC1)c1ccccc1OC(F)(F)F 825705039 BSXDCJVYCLANKY-UHFFFAOYSA-N 420.478 3.590 0 50 HHAA CC1(C)C[C@@](CCNc2ccc(C(=O)N3CCOCC3)cn2)(c2ccccc2)CCO1 1529177468 ADZNLAAEOFYCIN-VWLOTQADSA-N 423.557 3.883 0 50 HHAA COc1cc2nc(CSCC(=O)Nc3cccc(Cl)c3)nc(O)c2cc1OC 1775972022 SPPYONFPTDRDBN-UHFFFAOYSA-N 419.890 3.878 0 50 HHAA c1cn(C23C[C@H]4C[C@@H](CC(n5cncn5)(C4)C2)C3)c(-c2ccc(-c3cc[nH]n3)o2)n1 1857675825 FRYUDGZKAPLEQR-KILAXVPQSA-N 401.474 3.829 0 50 HHAA O=C(c1cccc(O)n1)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857689169 KUWLCRLPNCRDNN-OAQYLSRUSA-N 423.557 3.889 0 50 HHAA c1ccc(-c2nc(-c3nccn3C[C@@H](c3ccccn3)N3CCOCC3)co2)cc1 1857694237 GWYILMGLUZGOCO-NRFANRHFSA-N 401.470 3.674 0 50 HHAA O=C(c1cccc2c1NCCC2)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857696611 JBEUQODZFCHTQV-DEOSSOPVSA-N 404.514 3.538 0 50 HHAA Cc1cnn(C)c1CC(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccn1 2325821193 QZSAUMPQKSIZLW-UHFFFAOYSA-N 418.284 3.864 0 50 HHAA Cc1cc(C(=O)N[C@H](CNC(=O)c2occc2C(C)C)C2CC2)ncc1C(F)F 2325828965 WYHATIUXRHTRNM-QGZVFWFLSA-N 405.445 3.982 0 50 HHAA COc1cc2c(cc1/C=C1/NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C1=O)OCO2 661723 OPEAVDCNPJAAMD-LHHJGKSTSA-N 421.236 3.824 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)cc1 978909 RRQCGWTZZRBNNJ-NRFANRHFSA-N 412.486 3.662 0 50 HHAA COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)cc1 1083588 UQHULLVMZWXGKN-UHFFFAOYSA-N 403.287 3.505 0 50 HHAA CCC(=O)Nc1ccc(NC(=O)COc2ccc(I)cc2)cc1 1206148 IWAPONZNRSYVJE-UHFFFAOYSA-N 424.238 3.657 0 50 HHAA Cc1ccc(S(=O)(=O)Oc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 1596310 VTSNEDSSUJGUGK-UHFFFAOYSA-N 418.492 3.839 0 50 HHAA COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)NCCc2ccccc2)c1C 2880018 BXRLECKYNDRZCF-UHFFFAOYSA-N 412.467 3.661 0 50 HHAA Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3C)s2)cc1C 6778389 CNOAUUKOSWDDHE-UHFFFAOYSA-N 402.501 3.516 0 50 HHAA COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@@H](C)Cc2ncccc2C)CC1 11937341 GPWRSBWFDTYYSX-SFHVURJKSA-N 423.557 3.765 0 50 HHAA CSc1ccc(CN2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 12244353 LAPNXSBFDOUNRS-DEOSSOPVSA-N 423.582 3.832 0 50 HHAA CSCCCN1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 12302121 ZCXYARUFIAYZNP-QFIPXVFZSA-N 403.636 3.576 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(CC(C)C)n[nH]2)C1 12437705 GPIWHBXDIVJCGJ-HSZRJFAPSA-N 415.509 3.776 0 50 HHAA O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCC(OCc2ccccc2)CC1 12596751 PJCSLNNZIJPVFK-UHFFFAOYSA-N 410.905 3.801 0 50 HHAA O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc(Br)cc1 13108246 NHQNBJDAFFVZBT-UHFFFAOYSA-N 416.300 3.930 0 50 HHAA O=S(=O)(c1ccc(F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19850348 DDZGFFVIGHMXCW-UHFFFAOYSA-N 410.514 3.922 0 50 HHAA CCN(C[C@@H]1CCCO1)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 91518918 UTZGBGUBIVQCJH-HNNXBMFYSA-N 401.488 3.813 0 50 HHAA O=C(CCn1ccc2c(Br)cccc21)N[C@H](C(=O)O)c1ccccc1 206413556 OMHCYLGOEBVBDV-SFHVURJKSA-N 401.260 3.736 0 50 HHAA CC(C)N(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O 215058061 RPXAJGKWYYRERI-UHFFFAOYSA-N 407.314 3.955 0 50 HHAA CSCC[C@@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nc2ccccc2[nH]1 247535938 QKCHBYHKLLRWEC-QGZVFWFLSA-N 411.556 3.963 0 50 HHAA CCOc1ccc2nc(N3CCCN(Cc4nc5ccccc5[nH]4)CC3)nc(C)c2c1 299772774 AEMMTYCZYAXOPL-UHFFFAOYSA-N 416.529 3.926 0 50 HHAA O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1c[nH]nc1-c1ccc(Cl)cc1 442931406 HBULYRXLNDDIMO-GOSISDBHSA-N 400.910 3.784 0 50 HHAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 734801719 XYAGYWSKRKZWBL-QFIPXVFZSA-N 406.486 3.705 0 50 HHAA CC(C)c1ccc(N2C[C@H](C(=O)N3CCC(Oc4ccncc4)CC3)CC2=O)cc1 952964217 CCTZHYUXRFBZBM-LJQANCHMSA-N 407.514 3.628 0 50 HHAA COc1cccc(N2CCC(Nc3nn4c(C(F)(F)F)nnc4c(C)c3C)CC2)c1 1319513445 TUOHPRZZIABISS-UHFFFAOYSA-N 420.439 3.849 0 50 HHAA COc1cccc2c1NC(=O)C[C@H]2C(=O)Nc1c(C)cnn1Cc1cccc(C)c1 1506404894 ARSYBCXNFMORMK-GOSISDBHSA-N 404.470 3.621 0 50 HHAA c1ccc(Cn2cc(-c3nc(COc4ccccc4)nn3[C@H]3CCOC3)cn2)cc1 1772810177 JYBKLGAWDKLTBT-FQEVSTJZSA-N 401.470 3.730 0 50 HHAA Cc1nc(N(C)C)sc1CCN=c1[nH]c(C(F)(F)F)c(Br)s1 1875355017 XNNGTBRZEUTBLN-UHFFFAOYSA-N 415.304 3.832 0 50 HHAA O=C1CCC[C@H](C(F)(F)C(=O)N2CCC[C@H]2C(=O)Nc2nc3ccccc3s2)C1 2325824775 PSZPIIVQVNVGCK-WFASDCNBSA-N 421.469 3.620 0 50 HHAA NC[C@@H](CC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Br)s1 2325861639 WETANMGGCVEVCF-GFCCVEGCSA-N 405.321 3.972 0 50 HHAA Cc1cc2cc(S(=O)(=O)N[C@H](C)c3cc(-c4ccccc4)on3)ccc2[nH]c1=O 2325873640 NUFHILLPBNZACB-CQSZACIVSA-N 409.467 3.531 0 50 HHAA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(O)cc2)NC(=S)N1 823190 GJPSEKNXMPDOKM-INIZCTEOSA-N 418.316 3.586 0 50 HHAA CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1CC(=O)NCc1ccco1 2099448 ZDNXZGYMXMNADE-TUACAJSNSA-N 412.530 3.663 0 50 HHAA biogenic,in-vitro CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(OC)cc(OC)c2)c1 2887088 MDOPSAPBTDDQMK-UHFFFAOYSA-N 415.515 3.959 0 50 HHAA O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1 2940584 CJQDMQJNKDMXRJ-UHFFFAOYSA-N 402.697 3.905 0 50 HHAA COc1ccc(CNC(=O)c2cc3c(=O)[nH]c4ccc(C)cc4c3s2)c(OC)c1 4954018 BQEUAXKVHKSVNE-UHFFFAOYSA-N 408.479 3.998 0 50 HHAA Cn1ccnc1[C@H]1CCCCN1C(=O)CCc1nnc(CCCc2ccccc2)o1 11820406 DUMLXGIMMSTCCK-LJQANCHMSA-N 407.518 3.665 0 50 HHAA CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2ccccc2F)cc1 12058651 UISZCTSTBQCREM-QHCPKHFHSA-N 408.517 3.987 0 50 HHAA CC(C)(CO)CNCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 12300106 RMZVWZQSMLBFDS-UHFFFAOYSA-N 406.958 3.502 0 50 HHAA CCN1C[C@H](CN(C)C(=O)c2csc3nc(-c4cccc(Cl)c4)cn23)CC1=O 12300706 XUPPVHQKPJYUIB-ZDUSSCGKSA-N 416.934 3.657 0 50 HHAA Cc1ccoc1C(=O)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 12579212 KRQOHKVSRQTQLQ-MRXNPFEDSA-N 400.906 3.942 0 50 HHAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)c2ccsc2)C1 12582383 UUEVGVGVFXYAFB-LJQANCHMSA-N 415.603 3.673 0 50 HHAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccccc2OC(F)F)CC1 12717002 FSHANVCYOABKDC-HXUWFJFHSA-N 423.548 3.881 0 50 HHAA CC[C@@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@@H]2CCCO2)c2ncc(NC(C)C)cc12 14750706 FBMYBNQZFFVNID-ZBFHGGJFSA-N 416.522 3.807 0 50 HHAA COc1cc(CNCCc2cccc(Cl)c2)ccc1OC[C@@H](O)CN(C)C(C)C 14968180 PNQUSCBWNRLACX-NRFANRHFSA-N 420.981 3.761 0 50 HHAA COC(=O)c1c(NC(=S)N2c3ccccc3C[C@H]2C)sc(C(=O)N(C)C)c1C 17091171 GHYASTUHGFOABY-LLVKDONJSA-N 417.556 3.693 0 50 HHAA COc1cccc(CN2CCC[C@@]3(CCN(CCc4ccccc4)C3)C2=O)c1OC 20321786 BUBHLRLSKLWNFF-VWLOTQADSA-N 408.542 3.761 0 50 HHAA CN(Cc1cccnc1)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 55244944 RWZNVBNTNDZCPM-UHFFFAOYSA-N 416.591 3.674 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(F)c(F)c5)no4)c3CO2)cc1 169758372 PJVWFJVJBRAIRB-QGZVFWFLSA-N 411.368 3.553 0 50 HHAA C[C@@H](OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)C(=O)c1ccccc1 197192149 PYKLEAOUFHGXMI-WTPJZNEYSA-N 417.461 3.650 0 50 HHAA C[C@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H]1C[C@H]2CC[C@H]1C2 242339311 ZGTGFSZBHNEKPB-SSNFMEOTSA-N 416.521 3.835 0 50 HHAA CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H]1c1ccc(C(C)C)cc1 244900139 ZWSFALBSMHOXLF-BLRYILKCSA-N 418.530 3.753 0 50 HHAA O=C(c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1)N1CCCCC1 299779632 GHFIRISHLXJKAG-UHFFFAOYSA-N 417.469 3.562 0 50 HHAA Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](c3nc4ccccc4n3C)C(C)C)ccc12 334161498 CWAIEYRKISNHLO-HSZRJFAPSA-N 419.481 3.880 0 50 HHAA Cc1ccccc1OCC(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 623182081 TVYSIALTTNKKHJ-UHFFFAOYSA-N 401.894 3.794 0 50 HHAA COc1cccc(C(=O)COC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c1 900356474 HOFXWBWOULXLHY-UHFFFAOYSA-N 419.412 3.850 0 50 HHAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)c1ccc(CN2CCCCC2)cc1 952962438 FDKZANTUSRGZGC-JUJAOGAQSA-N 419.573 3.742 0 50 HHAA CCO[C@H](C(=O)N1CCC[C@@H](n2cc(-c3ccc(OC)cc3)nn2)C1)C1CCCC1 1875338162 OPIRUNOVIZCTMU-KNQAVFIVSA-N 412.534 3.713 0 50 HHAA O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(c2cccc(Cl)c2)CC1 640071 PFVOHTWDBMRHOD-UHFFFAOYSA-N 405.885 3.802 0 50 HHAA aggregator COc1cc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc(OC)c1 812300 MWCJILVMGPLAFG-UHFFFAOYSA-N 403.866 3.742 0 50 HHAA CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC(Cl)(Cl)Cl 861089 OVDPOJBPBAEGIE-ZDUSSCGKSA-N 407.681 3.627 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCCOc2ccccc2)c1 4070721 KDHNUYQRHJHEPT-UHFFFAOYSA-N 420.531 3.523 0 50 HHAA COc1ccc(-c2noc(CN(C)C(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1OC 4943694 CRFLEBIWSLPUKQ-UHFFFAOYSA-N 411.502 3.929 0 50 HHAA CC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 5383507 MNXMBOAGUQEXPX-UHFFFAOYSA-N 420.918 3.970 0 50 HHAA CSc1ccc(CNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)cc1 9738212 WWVKDWMVIWUIQB-UHFFFAOYSA-N 400.525 3.882 0 50 HHAA CCCCn1c(CN(CC)Cc2cnn(C)c2)cnc1S(=O)(=O)CCCC(C)C 11819511 PLTOJHXFTFALQO-UHFFFAOYSA-N 423.627 3.649 0 50 HHAA O=C(NCC1(N2CCCCC2)CCCC1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 12020574 JBQWEWSFACOECP-HXUWFJFHSA-N 403.611 3.863 0 50 HHAA COc1ccc(CC(=O)NC[C@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)cc1OC 12054145 FKPMEPWNHXUGSJ-GOSISDBHSA-N 422.456 3.567 0 50 HHAA CN(Cc1ccn[nH]1)C(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 12217503 ASBLVQIFNHKBOG-VWLOTQADSA-N 416.525 3.707 0 50 HHAA CS(=O)(=O)c1ncc(CN2CC[C@@H]3CCCC[C@H]3C2)n1CCCc1ccccc1 12301418 AFNKWDHOADXPRO-SFTDATJTSA-N 415.603 3.932 0 50 HHAA CCOC[C@H](O)CNCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl 12712448 NCEGWFVOFNLAKW-GOSISDBHSA-N 403.885 3.819 0 50 HHAA COC(=O)c1ccc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)nc1 15072448 GGEWAFAMBUSCIX-IBGZPJMESA-N 422.460 3.637 0 50 HHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2nc3ccccc3[nH]2)CC1 20542866 BKNURUUEUWKONP-UHFFFAOYSA-N 407.514 3.960 0 50 HHAA COC(=O)c1ccc(-c2nc(CN(C)C[C@@H]3COc4ccccc4O3)c(C)o2)cc1 55035894 CTVGJLZLOWKRNC-GOSISDBHSA-N 408.454 3.708 0 50 HHAA COc1ccc(CC(=O)N[C@H]2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)cc1 169753770 UCHRDVAMDMXJCB-SFHVURJKSA-N 410.905 3.676 0 50 HHAA COc1cccc(-c2noc(CC3CCN(C(=O)c4ccccc4OC)CC3)n2)c1 169754833 MMCZEXJPVPQBJS-UHFFFAOYSA-N 407.470 3.849 0 50 HHAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2nc(SC)n3ccccc23)C1 170618037 YCYVRMHXEFUVGS-AWEZNQCLSA-N 416.934 3.727 0 50 HHAA COc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)ccc1Cl 225540502 FLUAZKFJGNMTQV-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA CN(CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)C1CC1)C1CC1 225571890 GOPOCLOLWSASJE-UHFFFAOYSA-N 424.520 3.575 0 50 HHAA COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccccc2Cl)cs1 240756954 HVRMEQZAATZBQU-ZDUSSCGKSA-N 411.911 3.942 0 50 HHAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@H]4[C@@H]3C2=O)cc1C 245311650 PNWRSFZTCKAQCO-TUFLPTIASA-N 422.912 3.792 0 50 HHAA CCc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@H]4[C@@H]3C2=O)cc1 252020837 YFMMOCVQZBMPGN-TUFLPTIASA-N 422.912 3.738 0 50 HHAA CC(=O)N1c2ccc(S(=O)(=O)N3c4ccccc4SC[C@H]3C)cc2C[C@H]1C 252671539 NMBOUIIRKAGCPE-ZIAGYGMSSA-N 402.541 3.674 0 50 HHAA NC(=O)[C@H](CNC(=O)CCCc1cc(Cl)sc1Cl)Cc1ccc(F)cc1 446004955 XERFZWGYHYTBIZ-ZDUSSCGKSA-N 417.333 3.977 0 50 HHAA O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NC[C@@H](O)c1ccncc1 750492374 YGDONHCXHYKISL-MRXNPFEDSA-N 408.310 3.904 0 50 HHAA O=C(Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C(=O)N1CC[C@@H](c2cccc(F)c2)C1 756107383 TYWZZKCPFGPMFE-CECAUBDESA-N 407.489 3.769 0 50 HHAA C[C@@H](NC(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1)c1ccsc1 1469949463 ITTHTEVPAVWCGL-CYBMUJFWSA-N 401.923 3.870 0 50 HHAA Cc1nc(C(=O)NC[C@@H]2CCCN(Cc3cncn3C3CCCCC3)C2)cs1 1506411661 STSYLCZIUCKQOP-KRWDZBQOSA-N 401.580 3.795 0 50 HHAA CCCCc1c(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)nc(=N)[nH]c1C 1857713697 DFAURFACVQQBOX-TZIWHRDSSA-N 410.562 3.792 0 50 HHAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCc2nocc2C1 1857740283 LWFJSNWPIPERIW-CYBMUJFWSA-N 400.866 3.661 0 50 HHAA CCC(=O)N[C@H](C(=O)N[C@H](CC)[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 1875263105 KRNWTMAZEQJLTH-YZGWKJHDSA-N 422.447 3.901 0 50 HHAA Cc1nc2cc(C(=O)N3CCC[C@H]([C@@H]4CCNC4)C3)ccc2n1Cc1ccsc1 1875348940 HSQPJBGSOPBOPP-UXHICEINSA-N 408.571 3.916 0 50 HHAA COCCn1c(Sc2cc(=O)oc3ccccc23)nc2cc(Cl)ccc2c1=O 2325843835 RFUYSFNMHSLZHW-UHFFFAOYSA-N 414.870 3.954 0 50 HHAA C[C@H]1CCc2c(sc(NC(=O)COc3c(F)c(F)cc(F)c3F)c2C(N)=O)C1 656925 WYPCLRQTJCPCMN-ZETCQYMHSA-N 416.396 3.546 0 50 HHAA Cc1ccc(C(=O)Oc2ccc(Br)cc2C(=S)N2CCOCC2)cc1 714419 VBNKVUYISPDDEM-UHFFFAOYSA-N 420.328 3.984 0 50 HHAA COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)O)c(Cl)c3N2)cc1OC 867084 JJDPPMCQLFWVDK-GZMMTYOYSA-N 405.760 3.912 0 50 HHAA CCc1ccc(C(=O)N[C@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)C(C)C)cc1 1058393 FRZOKDFJQPSUPI-DEOSSOPVSA-N 421.585 3.969 0 50 HHAA CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Br)c1O 1160904 VNUQOVUPZQEEIF-NTEUORMPSA-N 403.232 3.651 0 50 HHAA CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(Br)cc3)N2C1=O 2454965 PIZRPDPHLKSFFY-OCCSQVGLSA-N 409.305 3.661 0 50 HHAA O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@@H]1Sc1ncn[nH]1)c1ccccc1 2708616 DPCQZFNXDCJQFK-OALUTQOASA-N 408.508 3.825 0 50 HHAA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 4436572 PDYMIVFPTWKEBO-KRWDZBQOSA-N 416.499 3.621 0 50 HHAA CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 7058754 ISIUGEQIBPOXME-UHFFFAOYSA-N 413.326 3.707 0 50 HHAA CCOC(=O)C1CCN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC1 11663587 KGRPMJUWSMOJRB-UHFFFAOYSA-N 401.463 3.617 0 50 HHAA COc1cccc(CCc2nnc(CCC(=O)NCc3csc(C(C)C)n3)o2)c1 11873791 WCCXAXKUFIPKCR-UHFFFAOYSA-N 414.531 3.692 0 50 HHAA Cc1csc(SCC(=O)NC[C@H]2Cc3cc(F)cc(-c4cccnc4)c3O2)n1 12040022 SQTAEDDHOCUPCW-MRXNPFEDSA-N 415.515 3.865 0 50 HHAA COc1cc(CN2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c(Cl)cc1O 12314555 CUBVILDEQDDLDY-INIZCTEOSA-N 404.894 3.902 0 50 HHAA CO[C@@H](C(=O)N1CCC(CCC(=O)N2CCc3ccccc3C2)CC1)c1ccccc1 12714503 GJHGOJMIPRCOLJ-RUZDIDTESA-N 420.553 3.978 0 50 HHAA CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 13986658 IFSDAJWBUCMOAH-HNNXBMFYSA-N 415.432 3.754 0 50 HHAA fda CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)C2CCOCC2)C3)s1 14988465 LUSPDXJBOGPOLM-INIZCTEOSA-N 403.475 3.603 0 50 HHAA c1ccc(N2CCC(N3CCC[C@@H](N4CCN(c5ccccc5)CC4)C3)CC2)cc1 19835722 MAPRHSRCOWJUEF-AREMUKBSSA-N 404.602 3.942 0 50 HHAA CC(=O)c1cc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cs1 20201317 OQBRJFNYACXYOK-OAQYLSRUSA-N 401.551 3.876 0 50 HHAA CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(C)c(Cl)c3)CC2)cc1 20325694 DFSFVUXGEZLUJK-FQEVSTJZSA-N 416.949 3.803 0 50 HHAA CC(C)CC(=O)Nc1ccnn1C1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 23360027 RDAVNICYOINASS-QFIPXVFZSA-N 409.578 3.779 0 50 HHAA Cc1ccn(-c2cc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ncn2)n1 72446655 PTCVNQRYPPFJPO-UHFFFAOYSA-N 424.508 3.600 0 50 HHAA CCOC(=O)C1=C(NC(=S)NC(=O)c2ccccc2)c2ccccc2CC1(C)C 100324639 NUOFBHVXMLYYDX-UHFFFAOYSA-N 408.523 3.848 0 50 HHAA COc1ccc(C(=O)N[C@H](C)c2cccs2)cc1S(=O)(=O)N1CCCC[C@H]1C 195461178 IOQKGNCJIBWSLA-HUUCEWRRSA-N 422.572 3.811 0 50 HHAA O=C1[C@H]2[C@@H](c3cccnc3)N(c3ccc(Cl)cc3)O[C@H]2C(=O)N1c1ccccc1 238937247 URMJABIZXOISIF-XUVXKRRUSA-N 405.841 3.786 0 50 HHAA C[C@@H]1[C@@H](C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CCCN1C(=O)OC(C)(C)C 241465996 NTSIXYCCMDKUEO-WBVHZDCISA-N 416.497 3.663 0 50 HHAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 252517089 ZMAAWEUOIJRTAO-ZYOFANERSA-N 408.498 3.795 0 50 HHAA O=C(N[C@H]1CCc2ccccc21)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 263615939 GDFBRHOHEDMODS-NRFANRHFSA-N 415.541 3.628 0 50 HHAA O=C(Nc1cccnc1OCC(F)F)N1CCC[C@@](CO)(Cc2ccccc2)C1 463634759 MDMRYRGINJKFID-OAQYLSRUSA-N 405.445 3.575 0 50 HHAA O=C(N[C@@H]1CCCN(C(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)C1)c1cc2ccccc2o1 476306720 MLQXNBIPEFHEFD-SQSUXNPRSA-N 416.521 3.548 0 50 HHAA O=C(Nc1cccc(S(=O)(=O)N2CCC[C@H](CC(F)(F)F)C2)c1)C(F)(F)F 1475412748 TZAAZJLUPUOOBU-SNVBAGLBSA-N 418.359 3.541 0 50 HHAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCC(Cc3ccc(O)nc3)CC2)no1 1772804625 BRKXQQOFASARQR-UHFFFAOYSA-N 401.898 3.592 0 50 HHAA O=C(NC1CC1)c1cc2c(s1)C1(CCN(C(=O)[C@@H]3CC34CCCC4)CC1)OCC2 1857699046 GCOZALUEVMURJW-KRWDZBQOSA-N 414.571 3.611 0 50 HHAA CCC[C@@]1(CO)CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC[C@@H]1O 1857739471 LDSPMZHNYFXQGT-ZCYQVOJMSA-N 404.510 3.887 0 50 HHAA Cc1cc(C(F)(F)F)c2cc(C(=O)N3CC(=O)N(Cc4ccccc4)C3)oc2n1 1875254688 GDYXJFLLECDWLX-UHFFFAOYSA-N 403.360 3.597 0 50 HHAA CC(C)(C)OC(=O)NCC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1875329052 BIDNWMLAAGPXKJ-UHFFFAOYSA-N 413.470 3.614 0 50 HHAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CC(n2cc(COc3ccc(Cl)cc3)nn2)C1 1875334015 UWMWDZZEMFLEBC-RTWAWAEBSA-N 408.889 3.698 0 50 HHAA Cc1ccc(CN(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 1163627 MQNYOMMIKTYTCX-UHFFFAOYSA-N 412.486 3.964 0 50 HHAA O=C(NCCOc1ccccc1Cl)c1ccc(I)cc1 2873385 QGCBSQDCDZIBJL-UHFFFAOYSA-N 401.631 3.753 0 50 HHAA O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(Cc3ccccn3)cc2)cc1 4708842 PRGUQTQDZHUMLV-UHFFFAOYSA-N 407.495 3.600 0 50 HHAA CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 5008621 ZZNRCEZJHQALRS-UHFFFAOYSA-N 414.417 3.916 0 50 HHAA O=c1/c(=C\C=C2\SCCN2CCc2ccccc2)sc2nc3ccccc3n12 5297378 IVQOWYXFFCKHGC-ROUMAOROSA-N 405.548 3.542 0 50 HHAA O=C(CC[C@@H]1CCCN(C(=O)Cn2cccn2)C1)Nc1ccc(C(F)(F)F)cc1 12706425 NTYHLDDPIVGDQT-HNNXBMFYSA-N 408.424 3.559 0 50 HHAA O=C(c1cn(CCC2CCCCC2)nn1)N1CCC([C@@H](O)Cc2ccccc2)CC1 12761725 MRBKEFAFTUSBDD-QHCPKHFHSA-N 410.562 3.704 0 50 HHAA COc1ccccc1N1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 19958361 CSEBTKHCYMBCII-INIZCTEOSA-N 411.329 3.564 0 50 HHAA COCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc21 20604434 BPRPLXLAUYRYSG-UHFFFAOYSA-N 411.405 3.795 0 50 HHAA Cc1ccccc1-c1ncc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)cn1 39447859 UULAANLSAHAROC-HXUWFJFHSA-N 408.571 3.582 0 50 HHAA Cc1ccccc1C(=O)Nn1ccc2c(cnc3c(-c4ccccc4)c(C)nn32)c1=O 40396334 WHLSHDPQFUWGPE-UHFFFAOYSA-N 409.449 3.712 0 50 HHAA Cc1ccccc1CCN1CCC[C@H](CN(C)Cc2ccc(N3CCNC3=O)cc2)C1 55183311 QISPJOWAWNJVIT-HSZRJFAPSA-N 420.601 3.911 0 50 HHAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 59749517 IUNHCIPBYZPCCM-UHFFFAOYSA-N 400.292 3.701 0 50 HHAA CCCCc1c(C)nc2nc(SCCCN3CCN(C(C)C)CC3)nn2c1C 170605587 OKLWOAAIZNQRRN-UHFFFAOYSA-N 404.628 3.592 0 50 HHAA Cc1cccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)CC2)c1 239338803 LGRAPDBAHASXHP-LYRYHAIASA-N 404.510 3.545 0 50 HHAA C[C@H]1[C@H](OC(=O)Cn2cnc3ccc(Br)cc3c2=O)C[C@H]2C[C@H]1C2(C)C 252679867 SHFPADRHAQBYHI-GADXADSLSA-N 419.319 3.773 0 50 HHAA O=C1NC[C@@H](NCc2ccccc2C(F)(F)F)n2nc(-c3ccc(F)cc3)cc21 263615099 ANKCWWYQRWOQFT-SFHVURJKSA-N 404.367 3.740 0 50 HHAA COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)N1CCC[C@H]1c1ccccc1OC)C2 299793891 KLAUQPQMTSBYEQ-UWJYYQICSA-N 410.514 3.650 0 50 HHAA C[C@@H](NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)C(=O)NC(C)(C)C 466123913 YNEMSDNZLMCILO-CYBMUJFWSA-N 405.445 3.860 0 50 HHAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cccc(Cl)c2Cl)cc1OC 1529195321 JELSRASEDFFILC-UYAOXDASSA-N 412.313 3.945 0 50 HHAA CCn1cc(CNC(=O)C[C@@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)cn1 1857732685 AVUUMWWYHJENFD-AWEZNQCLSA-N 401.898 3.621 0 50 HHAA CC(C)N=c1[nH]c(-c2cccnc2)nc2c1CC[C@]21CCCN(Cc2cccnc2)C1 1875251519 QTSSPTUGLBGTEO-VWLOTQADSA-N 414.557 3.656 0 50 HHAA O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)[C@@H](O)CC1CCCCC1 1875262472 WFWHLGYOAWDGDD-VXKWHMMOSA-N 407.514 4.000 0 50 HHAA CC[C@H](C[C@H](C)CO)NC(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1 1875264438 AEPZZLOLKGZCOU-SWLSCSKDSA-N 405.520 3.690 0 50 HHAA COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(O)cc3)cc2)cc1 1875389242 HLAXTEGXSHSDSU-UHFFFAOYSA-N 413.455 3.846 0 50 HHAA Cn1cc(C2CCN(C(=O)c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)CC2)cn1 2325820149 BKWNOQPEPMYCKA-UHFFFAOYSA-N 410.518 3.738 0 50 HHAA O=C(O)c1csc(-c2cccc(CNS(=O)(=O)c3cccc(Cl)c3)c2)n1 2325874166 CKQPZSIKCLJQTO-UHFFFAOYSA-N 408.888 3.640 0 50 HHAA COC(=O)c1ccccc1N[C@@H](NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl 872959 QRKKPXPNKCNZKP-KRWDZBQOSA-N 415.704 3.940 0 50 HHAA COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O 1108394 BTUUFFFCLPDDTA-UHFFFAOYSA-N 400.814 3.732 0 50 HHAA biogenic COC(=O)c1ccc(COC(=O)c2cc(Br)ccc2NC(C)=O)cc1 1123666 RGJFAAAHAQUKFR-UHFFFAOYSA-N 406.232 3.551 0 50 HHAA Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1C 1142087 SKRIEJWVMYISKN-UHFFFAOYSA-N 415.378 3.638 0 50 HHAA COc1cc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(C)cc1C 4126995 FWOQHRQGZFOYSB-UHFFFAOYSA-N 418.603 3.587 0 50 HHAA CCN(CC)C[C@@H](O)COc1ccc(CNCc2cccc(Cl)c2)cc1OC 11771524 LCJLWOSWJQKFON-HXUWFJFHSA-N 406.954 3.720 0 50 HHAA O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NCCc1cscn1 11813242 LJPOBAOJDHCJRJ-QHCPKHFHSA-N 407.539 3.627 0 50 HHAA CCCn1ncc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCCN24)c1C 12072420 XWZXRTMZEXXLRK-APTRMMRNSA-N 408.546 3.548 0 50 HHAA C[C@H]1CCCN(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)C1 12245356 RYRMZYLGUDNAFM-AWEZNQCLSA-N 407.436 3.556 0 50 HHAA COCc1cc(C)nc2sc3c(c12)N[C@H](c1cnn(-c2ccc(F)cc2)c1)NC3=O 12445680 ZHDWXAVSOTXESD-IBGZPJMESA-N 423.473 3.930 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(F)cc3F)C[C@@H]2CCO)c(C)c1C 19222800 ADDCXGLYTGBESL-NRFANRHFSA-N 404.501 3.659 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCCN(Cc3cccs3)CC2)c(F)c1 20149178 YPJAFMPBLWYVQB-UHFFFAOYSA-N 400.523 3.994 0 50 HHAA OCC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CCN1CC1CCCCC1 20775789 BKWHKVZWAQBGPB-JOCHJYFZSA-N 403.586 3.743 0 50 HHAA COc1ccc(OC)c(-c2nc(CN(C)Cc3nc(-c4cccnc4)no3)c(C)o2)c1 20906024 BPCMVRSQHKGRIC-UHFFFAOYSA-N 421.457 3.744 0 50 HHAA CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CCN(Cc2ccccc2)CC1 39447073 NZDWIHQWCBYKEK-UHFFFAOYSA-N 419.518 3.587 0 50 HHAA COc1ccc(OC)c2c1CN(C(=O)c1cccnc1Nc1ccccc1F)C[C@H]2O 170615911 RJZJSUCOHMRBIB-GOSISDBHSA-N 423.444 3.671 0 50 HHAA C[C@@](Cc1ccccc1)(NC(=O)c1cc2cc(Br)ccc2[nH]1)C(=O)O 170671901 FBJQSXBGQOTEEI-IBGZPJMESA-N 401.260 3.746 0 50 HHAA COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)ccc1OCC(=O)O 238924054 QPWLFORJVUFMQF-DXVHWOKRSA-N 419.524 3.561 0 50 HHAA O=C(NCc1ccccc1Cl)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 263616388 IKHUAJABDAUHCP-KRWDZBQOSA-N 403.269 3.786 0 50 HHAA CCS(=O)(=O)c1cccc(CC(=O)N2CCS[C@@H](C)[C@@H]2c2ccccc2)c1 461011187 BXYIVMAXOSXLAM-HRAATJIYSA-N 403.569 3.728 0 50 HHAA COc1cc(N2CCN(C(=O)c3cc(C)c(-c4ccc(F)cc4)s3)CC2)ncn1 461205055 ZLTBCJHCVBLHDT-UHFFFAOYSA-N 412.490 3.624 0 50 HHAA Cc1onc(-c2c(Cl)cccc2Cl)c1CN1CC[C@@]2(CO)CCCN[C@@H]2C1 1704338631 WOVZUXDRJMCTHG-YLJYHZDGSA-N 410.345 3.893 0 50 HHAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3ccccc3C(F)(F)F)C1)CC2 1704340280 YPGRDNRXRYWVSC-OAQYLSRUSA-N 418.463 3.611 0 50 HHAA C[C@H]1N(Cc2cc3ccccc3s2)CCC[C@@]12CCCN(CC(=O)N(C)C)C2=O 1940196631 WXZUTOKHQGUHIK-UZUQRXQVSA-N 413.587 3.583 0 50 HHAA C[C@@H]1N(C(=O)c2n[nH]c3c2CCC3)CCC[C@@]12CCCN(CCC(C)(C)C)C2=O 2100477952 NCJBHFKJOMHKBZ-HJPURHCSSA-N 400.567 3.568 0 50 HHAA C[C@H]1CN(Cc2cccc(CNC(=O)c3cnc4c(F)cccc4c3)c2)C[C@H](C)O1 2325745753 GOYRCWMCFDFBCJ-IRXDYDNUSA-N 407.489 3.913 0 50 HHAA COc1cc(Br)c([C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1OC 816198 OGYAFGGPXYEEDT-SNVBAGLBSA-N 422.275 3.958 0 50 HHAA Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 974225 QEPKJDWRLSGDDS-HUUCEWRRSA-N 410.392 3.701 0 50 HHAA biogenic,in-vitro COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1 1212771 SHHVSGFYPPMMQD-HMMYKYKNSA-N 416.433 3.803 0 50 HHAA biogenic O=C(N/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)N1CCOCC1)c1ccccc1 4866482 HLAJQCQLJLESQU-PGMHBOJBSA-N 420.440 3.715 0 50 HHAA COC(=O)[C@H](N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 4899669 SPYVYWCBBVEEBH-XMMPIXPASA-N 411.505 3.766 0 50 HHAA in-vitro COc1ccc(-c2cc(C(=O)N3CCC[C@H](N(C)Cc4ccccc4)C3)[nH]n2)cc1 11664410 YJRDDGGLZWNEDX-FQEVSTJZSA-N 404.514 3.822 0 50 HHAA COc1ccc(CN2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c(F)c1 11820703 CTSLFEBFVCHYSK-LJQANCHMSA-N 413.537 3.923 0 50 HHAA CSc1nc(C(=O)N2CCC[C@@H](CNC(=O)c3cc4ccccc4[nH]3)C2)cs1 12432620 DIQQZNRISDNQAD-ZDUSSCGKSA-N 414.556 3.629 0 50 HHAA O=C(CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)NCC1CCOCC1 14993108 DYXYUSQRGWZBLT-AREMUKBSSA-N 420.553 3.868 0 50 HHAA CC(C)n1cc(C(=O)N[C@H](C)c2ccco2)c(=O)c(C(=O)N(C)Cc2ccccc2)c1 15066899 NZAWZDUBOFOWLJ-QGZVFWFLSA-N 421.497 3.785 0 50 HHAA O=C(O)CCCC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCCC2 17082868 CWLRSMJEWXUBAG-UHFFFAOYSA-N 404.488 3.733 0 50 HHAA COc1cc(Br)c(CN2CCN(Cc3ccccc3)CC2)cc1OC 19609066 YVQXLUFOXHPKBN-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(C(=O)[C@H]1CCCO1)C2 20272308 FBPUNARNYSWWPJ-QGZVFWFLSA-N 410.495 3.872 0 50 HHAA O=C(NC1CC1)C1CCN(C2CCN(C/C(Cl)=C/c3ccccc3)CC2)CC1 20539758 GMNAULIVPVMPGN-SILNSSARSA-N 401.982 3.721 0 50 HHAA Cc1c(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cnn1C 23366590 WBKHUELPAQTKBF-OAQYLSRUSA-N 421.511 3.534 0 50 HHAA Oc1c(I)cc(C(F)(F)F)cc1I 38479966 PFTYBCBURDKLTH-UHFFFAOYSA-N 413.902 3.620 0 50 HHAA CCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2ccccn2)n1CCc1ccccc1 55368927 TZRFNGZTHGLJEB-GOSISDBHSA-N 412.559 3.507 0 50 HHAA COc1ccc(NC(=O)CN2Cc3ccccc3C2)cc1NC(=O)c1ccccc1 55387431 ICCNWFHDFYEUMX-UHFFFAOYSA-N 401.466 3.902 0 50 HHAA COc1ccc(Cl)cc1N1CCN(CCNC(=O)Nc2ccccc2C)CC1 59749678 PBZVAJFSCGGMOF-UHFFFAOYSA-N 402.926 3.601 0 50 HHAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(Cl)c1 100500377 VKWSFDREYVMNBZ-GEEKYZPCSA-N 414.889 3.699 0 50 HHAA CCN(CC)c1ccc(-c2nnc(SC[C@H]3CC4(CCC4)C(=O)O3)n2C)cc1 241942368 ULYPSYAFFOWURB-QGZVFWFLSA-N 400.548 3.906 0 50 HHAA CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 248288805 IMFUQJQXYOLUHK-LWWSYDQCSA-N 401.440 3.646 0 50 HHAA CC(=O)c1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)C2=CCCC2)C3)cs1 299774112 AIXUCFINXAUZMJ-UHFFFAOYSA-N 423.538 3.579 0 50 HHAA Cc1cnc2c(S(=O)(=O)Nc3cccc(Cn4nc(C)nc4C)c3)cccc2c1 426004324 OHFYUQKFLQMGBI-UHFFFAOYSA-N 407.499 3.601 0 50 HHAA CN(C)C(=O)COc1ccccc1C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 470374838 RPJFVVNBEGKLGX-UHFFFAOYSA-N 422.466 3.671 0 50 HHAA COc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)NCc2ccccn2)cc1 1857526509 JZMARQHYJMOYAB-UHFFFAOYSA-N 404.422 3.624 0 50 HHAA COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)C(=O)Nc2cnc3c(F)cccc3c2)c1 1875300055 JDSUOFYYNLRAEG-VLIAUNLRSA-N 407.445 3.931 0 50 HHAA O=C(C[C@@H]1CC1(Cl)Cl)NCCCCCNC(=O)C[C@@H]1CC1(Cl)Cl 2325702691 VHKDFDVMQGOLLD-GHMZBOCLSA-N 404.165 3.557 0 50 HHAA C[C@@H](c1ccccc1)N1C[C@H](c2nc(-c3ccc(Br)cn3)no2)CC1=O 2325762740 XSHKFZJFMQDUHE-GXTWGEPZSA-N 413.275 3.971 0 50 HHAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2cc3cccc(Cl)c3n2C)CC[C@@H]1O 2356156838 SWCLDZTXSXSYRK-LAUBAEHRSA-N 406.910 3.546 0 50 HHAA O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccnc1Cl 807644 CRADEKBGDOZYGE-UHFFFAOYSA-N 410.861 3.543 0 50 HHAA O=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1)c1ccccc1 1646491 WETQLXXWXKXJQU-UHFFFAOYSA-N 422.915 3.942 0 50 HHAA O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccco2)CC1 2865398 GBTAFLAYADFYKH-UHFFFAOYSA-N 411.285 3.730 0 50 HHAA CCc1ccc(NC(=S)NC(=O)c2ccccc2I)cc1 2982421 JPSZVSHYEQWLPP-UHFFFAOYSA-N 410.280 3.980 0 50 HHAA O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 4302113 RMFYTABJIVXKKF-GFCCVEGCSA-N 409.916 3.977 0 50 HHAA CCOC(=O)c1c(NC(=S)NCc2cn(C)nc2C)sc2c1CCCCC2 5979993 DDIJJXBQVJCPNO-UHFFFAOYSA-N 406.577 3.722 0 50 HHAA CSc1nsc(SCC(=O)Nc2ccc(I)cc2)n1 8436826 CPAGJSOLSJXCJJ-UHFFFAOYSA-N 423.326 3.595 0 50 HHAA COCc1ccc(C(=O)N(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)o1 11813822 DLXMSPVTEBQWAW-FQEVSTJZSA-N 404.551 3.702 0 50 HHAA O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)/C=C/c1ccc(Cl)cc1)CC2 11912785 BLEYPUZWIHNYCG-JLXBBBJOSA-N 423.944 3.736 0 50 HHAA Cc1cc(C(=O)N(C)CC2CCN(CCc3cccc(C(F)(F)F)c3)CC2)n[nH]1 11935496 FAEDMLOYVJRSJZ-UHFFFAOYSA-N 408.468 3.764 0 50 HHAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2C)CC1 12090029 AIVVLGDRBFIFCX-UHFFFAOYSA-N 423.473 3.914 0 50 HHAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)Cc2c[nH]c4ccccc24)O3)n1 12124980 KCFUSPVWXRKOGR-HXUWFJFHSA-N 412.493 3.904 0 50 HHAA CC[C@@H](O)CNC(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C 12126220 GOSZNFMURUROEM-OAHLLOKOSA-N 423.542 3.636 0 50 HHAA COc1ccccc1CCN1CCC(CN(C)C(=O)c2cccnc2SC)CC1 12752223 QMQCYRQQPPEINB-UHFFFAOYSA-N 413.587 3.839 0 50 HHAA CC[C@H](C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccc(OC)cc1 14746835 BGECRCCMAHIDAF-SFHVURJKSA-N 401.551 3.543 0 50 HHAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CSC)O3)c1 14953571 CHJOXXABZVZOIV-MRXNPFEDSA-N 405.903 3.576 0 50 HHAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCc2ccccc2-3)C1 17093975 YTFMKSKHTNCQDV-DLBZAZTESA-N 424.522 3.998 0 50 HHAA CCN1CCC[C@@H]1CNc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 19228975 HPCGLZDVDKIVEF-OAQYLSRUSA-N 403.530 3.798 0 50 HHAA CC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc(-c2ccc(C)cc2)ccc1=O 20095672 MMOBLEJHCQJXNH-OAQYLSRUSA-N 407.470 3.826 0 50 HHAA Cc1ccc(C)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)c1 65363817 QMRJSQNXHPEOSI-GOSISDBHSA-N 402.502 3.662 0 50 HHAA COc1ccc(CCN2CCC[C@H](CN(C)Cc3nc4ccccc4n3C)C2)cc1 76949820 HOPHBPNWKOZLAZ-OAQYLSRUSA-N 406.574 3.968 0 50 HHAA Cc1nc(CNC(=O)c2cnc(COc3ccc(C(C)(C)C)cc3)nc2O)cs1 91486995 WIJQFFLDFBSWJT-UHFFFAOYSA-N 412.515 3.754 0 50 HHAA CC(C)c1noc(-c2cn(C3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)nn2)n1 169777470 JQDKZDXOCAQAAN-UHFFFAOYSA-N 414.897 3.511 0 50 HHAA C[C@H](OC(=O)c1c2c(nc3ccccc13)CCN(C)C2)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229729489 HRVHXBQIXOYFAS-NHAYFPRASA-N 423.557 3.709 0 50 HHAA COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H](NC(=O)C(C)(C)C)C(C)C 409970689 KHRGSPAYWVKGAI-BLLLJJGKSA-N 413.356 3.822 0 50 HHAA O=C([C@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 475466267 KLVZOWFXYSIQGA-IJIOMUBASA-N 400.526 3.572 0 50 HHAA C=CC(=O)Nc1cc(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)ccc1F 792216701 ZHKDCRSIAFCBTK-MRXNPFEDSA-N 405.223 3.655 0 50 HHAA O=C(c1ccncc1)N1CCC(NC[C@H](c2ccccc2)N2CCCCCC2)CC1 828193909 CJZUGEPIKLCDOP-XMMPIXPASA-N 406.574 3.893 0 50 HHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 952980915 YAWZUQRLQXNBGW-HNNXBMFYSA-N 405.926 3.553 0 50 HHAA O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H](C(F)(F)F)O1 1857779871 UZKWTMYGUSOZHA-MSOLQXFVSA-N 421.371 3.652 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)C1 1875371494 CSDWKFAKVJUPBF-PKOBYXMFSA-N 419.363 3.797 0 50 HHAA O=C(Nc1cccc(-c2nc(C3CC3)no2)c1)N[C@@H](c1ccccc1)c1nc[nH]n1 2325738268 ZETPVGVPLNAPOW-KRWDZBQOSA-N 401.430 3.643 0 50 HHAA O=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc2n[nH]cc2c1Cl 2325861182 IBQSHKQRRGDUJS-NSHDSACASA-N 403.269 3.653 0 50 HHAA C[C@@H]1CCc2c(sc(NC(=O)C[C@H]3CCC(=O)NC3)c2C(=O)c2ccco2)C1 2325875229 KQSXTOVVZGELRI-CHWSQXEVSA-N 400.500 3.552 0 50 HHAA C=CC(=O)Nc1cc(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)ccc1O 2325890178 LYHCBRUZJIAVRG-UHFFFAOYSA-N 401.825 3.763 0 50 HHAA C[C@@H](Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 2746430 ULNZEWRILMGKQC-GFCCVEGCSA-N 400.891 3.587 0 50 HHAA O=C(CCCCCCNS(=O)(=O)c1ccccc1)NCCSc1ccccc1 4580165 QMQIYOAQLXNUGN-UHFFFAOYSA-N 420.600 3.824 0 50 HHAA CC(=O)c1cccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 5069414 DXXRJDHERXXWIU-UHFFFAOYSA-N 415.298 3.601 0 50 HHAA C[C@]1(C2CCN(Cc3cc4ccccc4[nH]3)CC2)NC(=O)N(Cc2ccsc2)C1=O 11871111 AOFFHQCPIBKFEK-HSZRJFAPSA-N 422.554 3.952 0 50 HHAA CN(Cc1n[nH]c2c1CCCC2)C(=O)CCc1nnc(CCCCc2ccccc2)o1 11935276 UPJPRVDEVAEMFN-UHFFFAOYSA-N 421.545 3.828 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 12586382 SLMKBZQQAFWJQO-RUZDIDTESA-N 421.541 3.604 0 50 HHAA COc1cccc(NC(=O)CCC2CCN(C(=O)c3cccc(NC(C)=O)c3)CC2)c1 12715355 JLEYINOHUADQKB-UHFFFAOYSA-N 423.513 3.925 0 50 HHAA Cc1c(C(=O)NCC(C)C)sc2ncnc(NC[C@@H]3COc4ccccc4O3)c12 14978266 WTFVLXHJYPVOPH-CQSZACIVSA-N 412.515 3.637 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3c(C)cccc3C)n2)ccc1C 16648372 QHCRPAYLKULWBR-KRWDZBQOSA-N 418.497 3.994 0 50 HHAA CCN(Cc1cc2c(cc1Cl)OCO2)CC1CCN(C2CCN(C)CC2)CC1 19334850 BZMQZDIEOLKOIP-UHFFFAOYSA-N 407.986 3.697 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2ccc(SC)cc2)C[C@@H]1CCO 20542310 WVROFGMJXDHWLD-NRFANRHFSA-N 400.588 3.876 0 50 HHAA CCOc1ccccc1CCNC(=O)CCCc1nc(-c2cccc(OC)c2)no1 55195948 VJWNNEDGMOHXEC-UHFFFAOYSA-N 409.486 3.826 0 50 HHAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)CC1 67770904 PSWURDLASJCZPB-NRFANRHFSA-N 418.541 3.603 0 50 HHAA FC(F)(F)c1cccc(-c2noc(-c3ccc(NCCn4cnnc4)nc3)n2)c1 72475514 NMMQZKXMGZNEDT-UHFFFAOYSA-N 401.352 3.521 0 50 HHAA COc1cc(OC)cc(C(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)c1 169754857 BIHKLWYHBFHRKV-UHFFFAOYSA-N 407.470 3.849 0 50 HHAA O=C(O)CC1(CNC(=O)CCc2nc(-c3cccc4[nH]ccc34)no2)CCCCC1 218280421 GUHGVRWIECPONG-UHFFFAOYSA-N 410.474 3.692 0 50 HHAA C[C@@H]1Sc2ccc(C(=O)N3[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]3C)cc2NC1=O 225558997 XEPXNFVFWMLSFA-IHRRRGAJSA-N 419.547 3.589 0 50 HHAA C[C@@H]1CN(CCNC(=O)[C@H]2CCCc3c2[nH]c2ccccc32)Cc2ccccc2O1 243932324 BUYCTCTVLCYXEL-UTKZUKDTSA-N 403.526 3.987 0 50 HHAA CN1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C[C@H]1c1ccccc1 244884240 YIGBHCPNGVUMGI-IBGZPJMESA-N 423.586 3.511 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N(C)[C@@H](C)c3ccon3)csc2C1 426399143 BKGURDDLEIWJAI-ZDUSSCGKSA-N 400.504 3.732 0 50 HHAA C[C@@]1(c2ccc(F)c(F)c2)C[C@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 1875261215 KDMJVKQQZMRSAU-IRLDBZIGSA-N 400.473 3.606 0 50 HHAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@]2(C3CCC3)CC2(F)F)CC1 1875385942 FWYFQEYFZXWCPA-JOCHJYFZSA-N 402.485 3.675 0 50 HHAA COc1ccc(NC(=O)N2CCC[C@]23CCCN(CCc2ccccc2)C3=O)cc1 2356161814 LEZCGHNZGJONCQ-DEOSSOPVSA-N 407.514 3.927 0 50 HHAA CN1CCC[C@]2(CCCN2C(=O)c2cc(-c3cccnc3)nc3ccccc23)C1=O 2356163421 BTBANRBZOITBJD-DEOSSOPVSA-N 400.482 3.524 0 50 HHAA COc1cccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 821331 OJGGGCSAOJZQGU-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA CSc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccc(C)cc2)cc1 835427 QFSPFRCQRXVWAB-UHFFFAOYSA-N 404.557 3.535 0 50 HHAA Cc1nn(C(F)F)c(C)c1S(=O)(=O)Nc1ccn(Cc2cccc(Cl)c2)n1 2804995 NUTUQUISRIZZCK-UHFFFAOYSA-N 415.853 3.594 0 50 HHAA CCOC(=O)N[C@H](NC(=S)Nc1ccc(C(C)=O)cc1)C(Cl)(Cl)Cl 2951876 NODCYFDETSWXOF-NSHDSACASA-N 412.726 3.618 0 50 HHAA CC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Br)cc1 8438175 NEXZBWUZIUKTAH-OAHLLOKOSA-N 418.320 3.934 0 50 HHAA COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)n1C 9095972 APVUPGNFZOJUSG-GFCCVEGCSA-N 403.533 3.683 0 50 HHAA CCn1ncc(CN2CCC[C@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)c1C 11878311 BMTZNCBUAYSUOA-GOSISDBHSA-N 414.550 3.860 0 50 HHAA Cc1nc(SCC(=O)NCc2ccc(Cl)cc2)[nH]c(=O)c1Cc1ccccc1 11905607 HLWMGRFQNJZXLM-UHFFFAOYSA-N 413.930 3.731 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2ccc3nccnc3c2)C1 12074168 PAISZSHOTCHEBJ-RUZDIDTESA-N 417.509 3.966 0 50 HHAA Cc1ccsc1C(=O)N1CCC[C@@H]2CN(C(=O)CCOc3ccccc3)CC[C@@H]21 12099367 BCEZMTDVDITXBF-QUCCMNQESA-N 412.555 3.979 0 50 HHAA C[C@@H](NCc1c(C(=O)N2CCCC2)nc2sccn12)c1cnn(-c2ccccc2)c1 12305294 CKNZEJMNSFSEJG-MRXNPFEDSA-N 420.542 3.668 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 12320413 CMLSRIXDJHAJRW-NRFANRHFSA-N 423.557 3.570 0 50 HHAA C/C(=C\c1ccco1)CN1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 12435980 ZHNCGAIABHHYKB-LVZFUZTISA-N 422.573 3.571 0 50 HHAA C[C@@H](c1ccon1)N(C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12 13595877 ZNQWWZLPHMCERI-KRWDZBQOSA-N 403.486 3.788 0 50 HHAA COC(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)cc1 14948531 DVLIMCMAYFDHAY-HNNXBMFYSA-N 414.433 3.748 0 50 HHAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N[C@@H](C)c2ccncn2)c1 15078525 KXXRZHCLKFRALT-KRWDZBQOSA-N 424.545 3.762 0 50 HHAA Cc1csc(NC(=O)CSc2nnc(CSCc3ccccc3F)n2C)n1 16474597 XRKMTSYOHITLTN-UHFFFAOYSA-N 423.564 3.883 0 50 HHAA Cc1ccc(CN2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)cc1 20601778 MEZUOHRSBTYQEF-QHCPKHFHSA-N 418.541 3.646 0 50 HHAA O=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCC(F)(F)CC1 91713360 JGILXGIBDAVCGX-UHFFFAOYSA-N 402.228 3.539 0 50 HHAA CN1C(=O)[C@H](NC(=O)Nc2ccc(F)cc2F)N=C(c2ccccc2)c2ccccc21 169621133 LKLSCRIVJNOASN-NRFANRHFSA-N 420.419 3.926 0 50 HHAA COc1cccc(-c2noc(CC3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n2)c1 169754825 HOTWALYEIZCXGW-UHFFFAOYSA-N 421.453 3.569 0 50 HHAA O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 195407901 LPRDKGYMPJZAIG-LEZSPFLNSA-N 402.425 3.636 0 50 HHAA Cc1nn(C)c2nc(-c3ccccc3)cc(-c3nc(-c4cnc5cnccn45)no3)c12 445520870 UKVGEBDAVNIYBZ-UHFFFAOYSA-N 408.425 3.703 0 50 HHAA O=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)[C@@H]1CCc2c[nH]nc2C1 463651935 WAYVBZIWPGEDPN-LJQANCHMSA-N 414.509 3.675 0 50 HHAA C[C@@H]1CCCN(CCOc2ccccc2CN2CCC(O)(c3ccccn3)CC2)C1 822413183 PTEBMIOCHJFNPJ-OAQYLSRUSA-N 409.574 3.676 0 50 HHAA Cc1ccc(Cl)cc1NC(=O)CC(=O)NCCN1CCC(c2ccccc2)CC1 1506422244 PMUOROXFSRGARD-UHFFFAOYSA-N 413.949 3.973 0 50 HHAA COc1cccc(F)c1-c1nccn1C12C[C@H]3C[C@@H](CC(n4nnc(C)n4)(C3)C1)C2 1857705920 ARCOQMHVEOXHOU-KILAXVPQSA-N 408.481 3.697 0 50 HHAA COc1ccc(-c2cc(NC(=O)c3cnc(-c4ccccc4OC)nc3)ncn2)cc1 1875355828 BFECRKFDWJNUJL-UHFFFAOYSA-N 413.437 3.870 0 50 HHAA Cc1c(C(=O)N2CCC(Cc3nncn3C)CC2)[nH]c2ccc(C(F)(F)F)cc12 2325875487 UDOPGNQHGBAYQJ-UHFFFAOYSA-N 405.424 3.719 0 50 HHAA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cc1F 2878941 YDIVOGCLFQUILN-UHFFFAOYSA-N 405.223 3.603 0 50 HHAA COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c(F)c1F 2890716 DRBCBUUCIQNXIV-LURJTMIESA-N 416.396 3.789 0 50 HHAA O=S(=O)(c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1 4663547 QLKVFXWAARMIDN-UHFFFAOYSA-N 415.740 3.613 0 50 HHAA CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Br 4797898 JGFVDFAJUIGPRZ-UHFFFAOYSA-N 405.292 3.937 0 50 HHAA COc1cc(CNCCc2ccco2)ccc1OC[C@H](O)CN(C)C1CCCCC1 11766425 KCHHUZMTXYTUPQ-OAQYLSRUSA-N 416.562 3.625 0 50 HHAA Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)Nc2ccc(F)c(F)c2)s1 11880837 CHLKZKNEKUUAIE-CQSZACIVSA-N 405.470 3.919 0 50 HHAA COC[C@@H]1CCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 11954395 UDUIOSCZTOVRNI-OAHLLOKOSA-N 403.910 3.621 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)c1 12459396 DIAIVNAXMHOYJM-HXUWFJFHSA-N 408.542 3.881 0 50 HHAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2cc(C)c(C)[nH]c2=O)C1 15065935 YREDTGCXMSAVSG-VWLOTQADSA-N 424.541 3.800 0 50 HHAA CSc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(=O)N1CCCCCC1 16624511 CMFRPJABWSLIHU-UHFFFAOYSA-N 405.545 3.621 0 50 HHAA Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Br)cn2)cc1 17091347 QFAZKNCCFHGAQH-UHFFFAOYSA-N 418.320 3.772 0 50 HHAA C[C@H](c1ccon1)N(C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 42628380 YOHOSSXKWIEJSP-UKRRQHHQSA-N 405.882 3.631 0 50 HHAA COCc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)s1 55042490 DKXOWOYNHMQPST-LJQANCHMSA-N 413.587 3.630 0 50 HHAA COc1cccc(N2CCN([C@H](C(=O)O)c3cc(F)ccc3OC)CC2(C)C)c1 55165982 ATKLYPQGXSEQEA-FQEVSTJZSA-N 402.466 3.569 0 50 HHAA CC(C)(C)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 77455617 NYYWSWSBVVOQTI-UHFFFAOYSA-N 412.555 3.759 0 50 HHAA COc1cccc(CN2CC3(CCN(CCC(F)(F)C(F)F)CC3)CC2=O)c1 95524694 RCHITIKSSNUCFX-UHFFFAOYSA-N 402.432 3.800 0 50 HHAA O=C(c1ccc(F)c(F)c1)N1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 169752969 IRTWVHBNMQDELW-UHFFFAOYSA-N 400.404 3.847 0 50 HHAA COc1cc(/C=C/C(=O)N(C)[C@H]2CCCc3nc(C)sc32)cc2c1OCCO2 170624880 CJNXOQVKGUUMCT-WAVCKPEOSA-N 400.500 3.781 0 50 HHAA CC(C)C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C 252500201 SOXSWHXXASGVMP-HXUWFJFHSA-N 417.513 3.577 0 50 HHAA N=C(O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(Cc2nnc(C3CCC3)o2)C1 328604047 IFEGOSZKBGINBJ-MRXNPFEDSA-N 406.490 3.786 0 50 HHAA CCc1cccc2c(C(C)=O)cn(CC(=O)NCc3nnc(-c4ccccc4)o3)c12 426658193 IFGGZSUSTCMFPF-UHFFFAOYSA-N 402.454 3.773 0 50 HHAA COc1cc(SC)c(OC)cc1CN1CCC[C@H](CNC(=O)c2ccco2)C1 824577634 AGHOLMQIRDMOPT-OAHLLOKOSA-N 404.532 3.661 0 50 HHAA O=C(Nc1cccc(CN2CCCC2)c1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 827676910 NETFIPRMSQFXBO-TUUBTQOTSA-N 405.546 3.808 0 50 HHAA COc1cc(OC)c2nc(N3CCC(c4nnc5ccccn45)CC3)cc(C)c2c1 1704335523 NXMAWMROMZJNRW-UHFFFAOYSA-N 403.486 3.987 0 50 HHAA O=C(NCCN1CCCCCC1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857717166 NCUGRGBRQOZGRJ-INIZCTEOSA-N 404.942 3.690 0 50 HHAA COc1ccc([C@H](CO)NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1 1875255958 QDWVPWJDCIWXOV-SFHVURJKSA-N 400.475 3.653 0 50 HHAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(CC=C(C)C)C[C@@H]21 1940195246 QQJJDKFDMFFDQX-VQTJNVASSA-N 422.525 3.990 0 50 HHAA O=C(c1ccc(Br)cc1-n1cnnn1)N1CC[C@H]2CCCc3cccc1c32 2325829585 NJXYMDPWCXWWEJ-CQSZACIVSA-N 424.302 3.895 0 50 HHAA Cc1c2ccc(NC(=O)C[C@H](CN)c3ccc(Br)s3)cc2nn1C 2325861629 VVHIFYOXIAQILF-LLVKDONJSA-N 407.337 3.777 0 50 HHAA O=C(c1onc2ncccc12)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356138672 PAOWVPHILJDWQJ-DEOSSOPVSA-N 411.465 3.800 0 50 HHAA CCOc1cc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc(OCC)c1OCC 679803 WPLYJZMDJYWLPQ-UHFFFAOYSA-N 421.519 3.602 0 50 HHAA Cc1ccc(N(Cc2ccc(C(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1C 840142 PWHPQQRQNNXSMH-UHFFFAOYSA-N 400.544 3.896 0 50 HHAA Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 1064888 ZCWPBKBIRFPGIU-ZDUSSCGKSA-N 400.422 3.807 0 50 HHAA Cc1cccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 1119508 ROLYGHOFXWZLFT-IRXDYDNUSA-N 411.310 3.914 0 50 HHAA Cc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)O)cc2)cc1 1163923 SPRXWOJMYRDJQP-UHFFFAOYSA-N 404.422 3.963 0 50 HHAA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 2174884 STTKQOYVAZKLPN-RGEXLXHISA-N 423.421 3.938 0 50 HHAA C[C@H](NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)[C@H]1CCCO1 2781341 HSCFNPKSROKSGV-GXFFZTMASA-N 410.421 3.774 0 50 HHAA Cc1nc(NC(=S)NC(=O)COc2ccccc2Cl)ccc1Br 4122589 ZBORWMGMPYPADV-UHFFFAOYSA-N 414.712 3.698 0 50 HHAA aggregator Cc1c(Br)c(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)nn1C 4652167 SJHKWUXAPBJDDR-UHFFFAOYSA-N 418.339 3.865 0 50 HHAA CC(C)C[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)O 5092054 MAORSCWMXCIWTC-BIRYMOPTSA-N 414.889 3.726 0 50 HHAA CC[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3cc(OC)ccc32)Cc2ccc(Cl)cc2O1 12124240 OIBFMPCGPQUXFE-QAPCUYQASA-N 414.889 3.974 0 50 HHAA O=S(=O)(c1cccs1)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 12315335 VUJJNEXMBCALIS-UHFFFAOYSA-N 419.490 3.773 0 50 HHAA CN(CCc1ccccc1)[C@H]1CCCN(Cc2ccc(Sc3nncn3C)o2)C1 19792437 YCHSHAIJUMJNFY-IBGZPJMESA-N 411.575 3.698 0 50 HHAA CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)n1nc(-c2ccc(C)cc2)ccc1=O 20095763 HRODDTRZFRWOPF-FQEVSTJZSA-N 407.470 3.826 0 50 HHAA Oc1cc(-c2csc3ccccc23)cc2c1OCCN(CCN1CCOCC1)C2 67691539 BAXJYPVSXDNCSV-UHFFFAOYSA-N 410.539 3.801 0 50 HHAA CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Br)c(C)c1)CCCC2 169752912 ZUVNTLWPWIKNKR-UHFFFAOYSA-N 405.292 3.907 0 50 HHAA CSCC[C@@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)c1nc2ccccc2n1C 252549649 RMVGOYPCBVVSRN-MRXNPFEDSA-N 406.515 3.583 0 50 HHAA O=C(Cc1ccnc(O)c1Br)N[C@H](c1cccc(F)c1)c1ccccn1 486435206 YKJSVNXFIAWSGR-GOSISDBHSA-N 416.250 3.532 0 50 HHAA O=C(NC[C@H]1CCCn2ncc(C(=O)O)c21)OCC1c2ccccc2-c2ccccc21 725241141 ZFFQWLQPYIPAEG-OAHLLOKOSA-N 417.465 3.997 0 50 HHAA CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1cnc2ccccc2c1 791027161 QKQCRYOMEQMRBD-UHFFFAOYSA-N 402.429 3.975 0 50 HHAA COCc1cc(=O)c(O)c(-c2nc(-c3cccn3C)[nH]c2-c2ccc(OC)cc2)o1 1857526285 UGTGNNFRFUDZJR-UHFFFAOYSA-N 407.426 3.563 0 50 HHAA O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)[C@@H](O)c1ccc(Cl)cc1F 1875263060 QLTZOTPJKQUILT-FQEVSTJZSA-N 410.836 3.785 0 50 HHAA C[C@@H](CCc1ccccn1)NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 1875354549 ILMIVTBCMYPJIY-KRWDZBQOSA-N 422.554 3.785 0 50 HHAA COCCn1ncc2ccc(N[C@@H](C)c3ccc(OC)c(CN4CCOCC4)c3)cc21 2325727030 ZDORQJUQYRBOIT-SFHVURJKSA-N 424.545 3.697 0 50 HHAA Cc1cccc(NC(=O)NCC(=O)N2CC=C(c3cncc4ccccc34)CC2)c1 2325738547 SREDOWFLFSHFND-UHFFFAOYSA-N 400.482 3.981 0 50 HHAA Cc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1 824412 OQKOWCRNPKAJMC-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(OC)c1 1062961 JWVZXNZOJYXLGP-UHFFFAOYSA-N 412.467 3.757 0 50 HHAA C[C@H]1CCCN(CN2C(=O)C3(OCC(C)(c4ccccc4)CO3)c3ccccc32)C1 1158144 OKRRBOGZWHJKNJ-CCYWVKEMSA-N 406.526 3.880 0 50 HHAA CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1c1ccccc1OC 4036286 WYLXPXPYIUHXJV-LJQANCHMSA-N 415.515 3.545 0 50 HHAA CC(C)OC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 4651252 CDIORBZSJUAOPQ-ROUUACIJSA-N 419.474 3.647 0 50 HHAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1 4813675 HJVPUVLQHTXUMC-UHFFFAOYSA-N 402.422 3.799 0 50 HHAA COc1ccccc1S(=O)(=O)N1CCC(c2nc(-c3ccc(C)cc3)no2)CC1 4856027 SDMZVDRHQKJDPF-UHFFFAOYSA-N 413.499 3.622 0 50 HHAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12)NCc1cccc(Cl)c1 11933226 GMOVCRIBYMJYAD-QFIPXVFZSA-N 421.928 3.500 0 50 HHAA O=C(NCCCc1ccncc1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12448748 PXGRQUCOZWTIHD-SFHVURJKSA-N 419.447 3.588 0 50 HHAA Cc1noc(C)c1CC(=O)N1CCC[C@H](CNC(=O)c2cccc3ccccc23)C1 12590265 ZVZXYSRZWFGTIT-GOSISDBHSA-N 405.498 3.656 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(C[C@H]3CC=CCC3)CC2)c(Cl)c1 15070599 TWMHQIODQUHYQX-KRWDZBQOSA-N 406.954 3.916 0 50 HHAA O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccccc2F)CC1 19867598 CYPNYGZHBRYJOW-APNVUFTPSA-N 416.581 3.932 0 50 HHAA Cc1cc(CNC(=O)C[C@H]2CN(C)CCN2C)c2[nH]c(-c3ccccc3)c(C)c2c1 20907327 CBPVSJYQNQCXGJ-NRFANRHFSA-N 404.558 3.704 0 50 HHAA CCCCn1c(CN2CCC[C@H](C(C)=O)C2)cnc1S(=O)(=O)CCCC(C)C 55344177 QWIKNQAAPMMPDM-IBGZPJMESA-N 411.612 3.694 0 50 HHAA Cc1noc([C@@H]2CCCN2C(=O)c2cc(-c3cncnc3)nc3c(C)cccc23)n1 63882090 BLZGHYUSMFHVHF-IBGZPJMESA-N 400.442 3.669 0 50 HHAA COc1ccc(-c2oc3ncn(CCCO)c(=N)c3c2-c2ccc(OC)cc2)cc1 100685500 GQOQYGCQZYVOKU-UHFFFAOYSA-N 405.454 3.842 0 50 HHAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3C[C@H]4CC[C@H]3C4)c2C2CC2)n1 102692007 OBAPREVIDOUCBZ-RDJZCZTQSA-N 415.497 3.840 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cccc5[nH]ccc45)C3)[nH]n2)cc1 169753945 KLGFBXXOAKIXCH-QGZVFWFLSA-N 415.497 3.965 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4noc(-c5ccc(C)cc5C)n4)c3CO2)cc1 169769045 WKVWDAXILYLOAT-LJQANCHMSA-N 403.442 3.892 0 50 HHAA COC(=O)[C@@H]1CCN(C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)C[C@@H]1C 170610001 GPXLIMQMLRUVML-WMLDXEAASA-N 402.516 3.869 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2C=Cc3cc(C)ccc3N21 248379217 MCVQPHGFLFSMLD-FNAHDJPLSA-N 420.896 3.936 0 50 HHAA CCSCC[C@@H](C)NC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 253392888 KIEJMCBWYRWEAP-CVEARBPZSA-N 424.611 3.796 0 50 HHAA CCN(C(=O)c1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1Cl)C(C)C 253430787 FWGSLAPLANFZBO-MRXNPFEDSA-N 419.953 3.798 0 50 HHAA O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CC[C@@H](CN2CCCCC2)C1 742118953 SAVQALBSILBTLL-INIZCTEOSA-N 406.452 3.839 0 50 HHAA COc1ccc(NC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)cc1C(=O)N(C)C 952990938 NGLDMTIMGXCVFP-NRFANRHFSA-N 413.493 3.702 0 50 HHAA O=C(N[C@@H]1COc2c(F)cc(F)cc2C1)N[C@H]1c2ccccc2CC12CCOCC2 1263715870 KVSTYVKBYIYLGB-UWJYYQICSA-N 414.452 3.662 0 50 HHAA Cc1ccccc1NC1CCN(C(=O)c2cc(C3CC3)nc3c2c(O)nn3C)CC1 1875258553 UIICFJUQDIPFCD-UHFFFAOYSA-N 405.502 3.576 0 50 HHAA COc1ccc(Cl)cc1C(=O)N1CC[C@@]2(C1)C(=O)N(CC1CC1)c1ccccc12 2100537619 RXYIHDRUEQRGSB-QHCPKHFHSA-N 410.901 3.889 0 50 HHAA O=C(CCNC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCNc2ccccc21 2325860406 HPEIRQUPOXPCEP-QGZVFWFLSA-N 417.307 3.634 0 50 HHAA COC(=O)c1cccc(CNC(=O)CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1 2332239330 HUPNHUCQCOGJGV-XMMPIXPASA-N 420.484 3.950 0 50 HHAA Cc1cccc(Oc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)c1C 1108562 SOMTUCXCIKWQDE-UHFFFAOYSA-N 424.888 3.545 0 50 HHAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(I)cc1 1204213 KOLHJAIDBXSXRX-HNNXBMFYSA-N 411.195 3.590 0 50 HHAA CCN(CC)CCCNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2293210 AAAPTRVNSYQELA-UHFFFAOYSA-N 419.451 3.877 0 50 HHAA COc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(C)o3)c3ccccc32)cc1OC 2852754 GMXLCBVNDFSCAA-XMMPIXPASA-N 421.449 3.613 0 50 HHAA Cc1ccc(NC(=O)Cn2nc(C)c(I)c2C)cc1Cl 4726593 MHUIHLSYCZRCBO-UHFFFAOYSA-N 403.651 3.705 0 50 HHAA CCOc1ccc2nc(NC(=O)[C@H](CC)Sc3nc(C)cc(=O)[nH]3)sc2c1 8673181 CPASFZROGANPRS-ZDUSSCGKSA-N 404.517 3.596 0 50 HHAA COc1cccc(OCc2cc(C(=O)N(C)Cc3cccc4cnccc34)n[nH]2)c1 11820286 GGBBFXWUXQRMJX-UHFFFAOYSA-N 402.454 3.818 0 50 HHAA CCN(CC)CCN(CC)C(=O)c1sc2ncnc(N3CCCCC3)c2c1C 12040145 LLRMCGOAGXRBQA-UHFFFAOYSA-N 403.596 3.794 0 50 HHAA Cc1ncoc1C(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12199107 AZNLTJGDYMESHK-GOSISDBHSA-N 403.482 3.932 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2nnc3n2CCC3)c(F)c1 12437758 IUAMJKRCSYFJRI-UHFFFAOYSA-N 418.476 3.515 0 50 HHAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N(CC1CCC1)C[C@@H]1CCCO1 12711998 BKKYQOHTGUHNGI-KRWDZBQOSA-N 406.889 3.540 0 50 HHAA O=C(NCCc1ccccc1C(F)(F)F)c1cn(Cc2ccc(Cl)cc2)nn1 12751004 DWWJXRXWIOASKV-UHFFFAOYSA-N 408.811 3.971 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc(C)nn2CC)C1 14972893 PHPFZMXTABDFMW-QFIPXVFZSA-N 419.472 3.518 0 50 HHAA O=C(NC1CCCCCCC1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32100900 IAXKKTKDTGLURB-AWEZNQCLSA-N 424.471 3.589 0 50 HHAA CCOC(=O)c1ccc(N2CCN(Cc3ccccc3Br)CC2)cc1 35246598 QCFBDQSHLKFOGJ-UHFFFAOYSA-N 403.320 3.948 0 50 HHAA in-vitro Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3CN3CCOCC3)cc2)n1 149769879 QQTNKUUZIPSUSS-UHFFFAOYSA-N 404.514 3.633 0 50 HHAA Fc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc6c(c5)OCO6)no4)cc3CO2)cc1 263617947 QONLCKZDEBXDQV-LJQANCHMSA-N 406.373 3.739 0 50 HHAA NC(=O)Nc1cc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)ccc1F 478298709 JXIINJHJHMNECG-UHFFFAOYSA-N 422.395 3.684 0 50 HHAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 801245642 CEIHHNUWHIFKLR-GFCCVEGCSA-N 411.424 3.539 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ncoc3C(C)C)CC1)OCC2 1704330645 YYWNFTWDDYZWTE-UHFFFAOYSA-N 400.475 3.519 0 50 HHAA COc1cccc([C@@H](CNC(=O)c2c(C3CC3)nc3sccn23)N2CCCC2)c1 1875264427 MMVDBIFMWXXIQJ-GOSISDBHSA-N 410.543 3.849 0 50 HHAA NC(=O)c1ccccc1Oc1cccc(NC(=O)NCc2ccc(F)c(CO)c2)c1 1875264949 CSSQUDAYVIGNAE-UHFFFAOYSA-N 409.417 3.531 0 50 HHAA O=C1CN(c2ccccc2NCc2coc(-c3ccccc3C(F)(F)F)n2)CCN1 1875329782 IZNSPTLNVHZMEV-UHFFFAOYSA-N 416.403 3.909 0 50 HHAA COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3ncccc23)cc1F 2325822367 TVQQHPCGLHEXNN-UHFFFAOYSA-N 408.838 3.544 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 2325889695 JOXJJJJZPNUEMI-IBGZPJMESA-N 402.853 3.842 0 50 HHAA CCOC(=O)c1oc2cc(OC)ccc2c(=O)c1Oc1cnn(-c2ccccc2)c1 633002 FPZFJTLGGYCNKQ-UHFFFAOYSA-N 406.394 3.956 0 50 HHAA CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)cc1 1115863 OYEKKUHWSKQGET-UHFFFAOYSA-N 417.314 3.895 0 50 HHAA CN1CCN(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 4866624 JVSUHPBHWRSSOQ-UHFFFAOYSA-N 423.520 3.856 0 50 HHAA COc1ccc(-n2c(CCNC(=O)/C=C/c3cccc(F)c3)nnc2SC)cc1 12123429 FGVAYZLMRZQDPQ-IZZDOVSWSA-N 412.490 3.509 0 50 HHAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2sc(N3CCCC3)nc2Cl)C1 14962723 FTGZGQVRWSCLCU-IBGZPJMESA-N 415.987 3.579 0 50 HHAA COc1cc2c(c(OC)c1)[C@@H](c1cc3c(cc1Br)OCO3)CC(=O)N2 17083306 RPUGKQJATSYJOT-LLVKDONJSA-N 406.232 3.669 0 50 HHAA Cc1cccnc1CCNCc1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 23130612 PIEONQZCNRAUHR-QHCPKHFHSA-N 411.590 3.727 0 50 HHAA O=C(O)c1cc(-c2ccc3c(c2)OCCO3)nn1-c1ccc(Br)cc1 25781835 VKGMLMORRGKMQF-UHFFFAOYSA-N 401.216 3.771 0 50 HHAA O=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1cccc(OC(F)(F)F)c1 169778339 YWWWUSSJNLXTDC-UHFFFAOYSA-N 413.359 3.620 0 50 HHAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@@H]21 239046979 GAUQJXGIBJFRRB-XOUADPBQSA-N 405.235 3.549 0 50 HHAA CC(C)CN1CCO[C@@H](CNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)C1 248220410 HOGDXWPASSFKCX-KQSXWVITSA-N 410.602 3.998 0 50 HHAA COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccccc1)Cc1cccs1 253420753 DFONVOUMVHGQNT-LJQANCHMSA-N 418.559 3.859 0 50 HHAA CCN(C[C@@H]1CCCO1)c1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl 301279982 ZRWRKXBXQCRFKY-AWEZNQCLSA-N 401.816 3.910 0 50 HHAA Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCC[C@@H](CCC(N)=O)C4)ccc32)c1 409514513 QSABARXZZBENCN-SFHVURJKSA-N 404.514 3.760 0 50 HHAA C[C@]1(CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CCO[C@@H]1C1CC1 466691829 QJZVQDPBHPGSQT-FYYLOGMGSA-N 413.539 3.596 0 50 HHAA Cc1cccc(OCC(=O)NCC2CCN(c3cnc4ccccc4n3)CC2)c1C 827841830 BLAXTUQVDRUOEL-UHFFFAOYSA-N 404.514 3.658 0 50 HHAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCN(C(=O)c2cccs2)CC1 828152492 CQLDIRRYUZHRCT-UHFFFAOYSA-N 403.935 3.600 0 50 HHAA O=C(NC[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1)c1ccc2c(c1)OCO2 828171207 YGPMVKLJGOZMNQ-HNNXBMFYSA-N 404.869 3.850 0 50 HHAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc3sc(=N)[nH]c3c2)cc1 1857718925 AGNHZILUICBWOZ-SFHVURJKSA-N 411.527 3.581 0 50 HHAA COc1cccc(C2(CNC(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)CC2)c1 1875361384 YHNGDBJVROFFDJ-NRFANRHFSA-N 420.509 3.554 0 50 HHAA COc1ccc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cc1N1CCOCC1 2100545021 OBIOYCRLCNWECS-BJKOFHAPSA-N 422.525 3.524 0 50 HHAA Cn1ncc(C(=O)N[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]32)c1Cc1ccccc1 2325840825 SDZZBNBUTHSELC-DUXKGJEZSA-N 422.326 3.842 0 50 HHAA CCOC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 1063450 RSMFFPTULAVZPE-UHFFFAOYSA-N 424.478 3.916 0 50 HHAA COc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1Cl 1114739 JTSZJNQWPDUXDS-UHFFFAOYSA-N 419.305 3.652 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1ccc(OC)cc1 1201476 YUPMIBDYSBYXIO-HXUWFJFHSA-N 408.479 3.656 0 50 HHAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc(F)cc1 11952608 GWBJUOKDXOHPCE-IBGZPJMESA-N 415.528 3.881 0 50 HHAA C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCN(C4CCCCC4)CC3)c2C1=O 15070777 JVKCXUIIAWEQLB-INIZCTEOSA-N 424.570 3.955 0 50 HHAA CCc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C(N)=O)cc1 17089226 PVFSCEJMKFTQQV-JKSUJKDBSA-N 412.511 3.990 0 50 HHAA CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(O)c(OC)c3)N2C1=O 22204904 CIOAIIKTUJCFJM-GCJKJVERSA-N 419.481 3.961 0 50 HHAA CN1[C@H](CO)C[C@H](CNCc2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccccc1F 39379630 AVLCSKQZYFISMF-GQIGUUNPSA-N 412.427 3.868 0 50 HHAA COC(=O)[C@@H](Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)NC(C)=O 169806000 BNOWSKWRQFBEES-OAHLLOKOSA-N 416.783 3.766 0 50 HHAA C[C@](O)(CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)c1ccc(F)cc1F 170626876 ZHWIPGJFWHQUIM-HNNXBMFYSA-N 413.339 3.717 0 50 HHAA CC(C)C(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1NS(C)(=O)=O 252479359 BDOBAKCRWDFPFN-LJQANCHMSA-N 403.479 3.531 0 50 HHAA Cc1ccc(O)c(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)c1 426537435 GSWRXTLEJPINMM-HSZRJFAPSA-N 414.452 3.634 0 50 HHAA CN(C)Cc1c(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)oc2ccccc12 462928395 WDRWNLQTILJBIJ-RUZDIDTESA-N 406.526 3.952 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)NCC[C@H]2CC[C@H](N)C2)C1 952891798 CICOXSGHYDCVRT-AEFFLSMTSA-N 413.541 3.623 0 50 HHAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCCc1nc(-c2ccncc2)no1 952982062 VEWAJYZKPAPKPJ-UHFFFAOYSA-N 419.485 3.637 0 50 HHAA Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)c(C)c3)CC2)cc1 1211195145 LVHGMONXIHHFEZ-UHFFFAOYSA-N 409.349 3.577 0 50 HHAA C[C@H](NC(=O)[C@H]1CNC(=O)c2ccccc21)c1cccc(OCc2ccccc2)c1 1459800465 DDIGERLDGRUGJE-SBUREZEXSA-N 400.478 3.970 0 50 HHAA Cc1cc(N2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)nc2cc3c(cc12)CCC3 1529142931 XPXJGYXXTOGXQD-OZXSUGGESA-N 416.521 3.917 0 50 HHAA Cc1nsc2ncc(C(=O)N3CCC[C@@H](NC(=O)CCCc4ccccc4)C3)cc12 1875256356 PUOSFPJZUVHOID-LJQANCHMSA-N 422.554 3.743 0 50 HHAA CC(C)[C@H](C(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1)n1cnc2cc(F)c(F)cc21 1875263003 PMILMWOIAAQNDX-GOSISDBHSA-N 413.384 3.725 0 50 HHAA Cc1cc(C(=O)Nc2ccc(CN3CCN(C4CC4)CC3)cn2)nn1C1CCCCC1 1875264937 SPENHTFAZAUODX-UHFFFAOYSA-N 422.577 3.624 0 50 HHAA NCc1ccc(-c2noc([C@H]3CN(C(=O)c4ccco4)c4ccccc4O3)n2)c(F)c1 1875340832 UNESEYYHOQSRDK-LJQANCHMSA-N 420.400 3.708 0 50 HHAA O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1940195326 LWWOXXKWNSBOSJ-SIKLNZKXSA-N 401.890 3.641 0 50 HHAA Cc1cccc(OC[C@H](O)CNCc2cnn(Cc3ccccc3C(F)(F)F)c2)c1 2325870084 IVJWHHCWEPNNCJ-LJQANCHMSA-N 419.447 3.788 0 50 HHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H]2CCC[C@@H](NC(=O)CCO)C2)ccc1F 2356139183 DOWQVMZPPLLIKV-OHLDOZIISA-N 402.554 3.902 0 50 HHAA Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1861596 GBWWAZBCMUOHNO-UHFFFAOYSA-N 417.461 3.583 0 50 HHAA Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 2856048 ZBTLFDCGVSARRW-UHFFFAOYSA-N 404.557 3.900 0 50 HHAA Cc1n[nH]c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1 5433543 AVQFYXRKQJCPIP-UHFFFAOYSA-N 410.322 3.730 0 50 HHAA Cn1cc(CCNC(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)cn1 11820294 OLJBZQZSKKOUAP-UHFFFAOYSA-N 419.432 3.788 0 50 HHAA O=C(NC1(c2ccccc2)CC1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 11874182 BYOOEWRTGRTIHC-UHFFFAOYSA-N 404.510 3.886 0 50 HHAA Cc1ccc(OCc2cc(C(=O)N3CCCC[C@H]3CCc3ccccn3)no2)cn1 11937448 FUXUCHSNIGXZDV-IBGZPJMESA-N 406.486 3.980 0 50 HHAA COc1ccc(C(=O)N2CCC(n3c([C@@H]4CCCO4)nc4cccnc43)CC2)cc1 12247236 ZFPBDHLEYSIEGD-FQEVSTJZSA-N 406.486 3.769 0 50 HHAA COc1ccc(-c2noc(CN3CCCC[C@@H]3c3cccnc3)n2)c(OC)c1OC 12315124 BLPRYKFOATZMCD-QGZVFWFLSA-N 410.474 3.885 0 50 HHAA Cc1ccc(Nc2nc(C(N)=O)c(NC(=O)COc3ccc(Cl)cc3)s2)cc1 12461678 RQCNAGWTEYFBMJ-UHFFFAOYSA-N 416.890 3.965 0 50 HHAA Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CCN([C@@H](C)Cc2cccnc2)CC3)cc1 14996601 GWORXNYQGUOQHR-URXFXBBRSA-N 421.585 3.961 0 50 HHAA Cc1cccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 23382388 MBXFWKINGRXSJA-NRFANRHFSA-N 411.465 3.856 0 50 HHAA COc1ccc(NC(=O)/C=C/c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 100933821 IKDINODEEUYCNC-SRZRZQBISA-N 414.461 3.659 0 50 HHAA COc1ccc(OC)c2c1CN(c1ncnc3sc4c(c13)CC[C@@H](C)C4)C[C@@H]2O 226519925 NBLGDOKNJFKNDH-DOMZBBRYSA-N 411.527 3.887 0 50 HHAA C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)N[C@@H](C)c1ccc(F)cc1 230003970 JBAFPDUVZXEGGZ-SLEUVZQESA-N 410.540 3.626 0 50 HHAA COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)c2c(O)cc(C)oc2=O)cc1O 253470699 ACUPLWLOPLHQRK-MRXNPFEDSA-N 413.401 3.668 0 50 HHAA COC(=O)C1=C(C(=O)OC)[C@H]2C(=Cc3ccc(Cl)cc3)[C@H]1[C@@]13O[C@]21[C@H]1CC[C@H]3C1 257356231 GYAQWIVZVGIKGZ-OCIDSVSXSA-N 412.869 3.563 0 50 HHAA O=C(O)c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c(F)c1 438806985 GMILSKKQMWDUAT-UHFFFAOYSA-N 401.415 3.904 0 50 HHAA Cc1noc(C)c1CN[C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 490149351 JCLNEXKXJFYTMJ-FQEVSTJZSA-N 406.454 3.852 0 50 HHAA O=C(CN1CCOc2ccccc2C1)N(C/C=C/c1ccccc1)C[C@@H]1CCCO1 952989731 RZIKUAUBHNHOJQ-LNLBBOMNSA-N 406.526 3.602 0 50 HHAA O=C(c1ccn(C(F)F)n1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704339152 FFWIPZVIYDDBOG-JOCHJYFZSA-N 409.440 3.855 0 50 HHAA Cc1cc2cc(C(=O)N3CC[C@@]45OC[C@@H](c6ccccc6)N4C(=O)C[C@@H]35)ccc2o1 1857730971 GGXBMNOOOXYHFZ-LEEZEASISA-N 402.450 3.656 0 50 HHAA COc1ccc2[nH]c(=O)c(-c3noc(C4=Cc5cccc(OC)c5OC4)n3)cc2c1 1875328391 PJOWPUMOZODSMI-UHFFFAOYSA-N 403.394 3.528 0 50 HHAA COc1cc(-c2ccc(C(=O)N3CC(Oc4cccc(C)c4)C3)cc2)c(=N)[nH]c1C 2356152753 ZOSPWOWHJQLJBP-UHFFFAOYSA-N 403.482 3.690 0 50 HHAA Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2cccc(F)c2)c(O)n1 2356155417 GFFYURWWRZGHOZ-FUKQBSRTSA-N 423.532 3.792 0 50 HHAA O=C(Cc1ccccc1F)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356161986 RRFBJQQAZBYCQB-DPLHUUCSSA-N 416.496 3.960 0 50 HHAA O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 789567 FIZNSKCAYPFCPC-UHFFFAOYSA-N 412.433 3.745 0 50 HHAA COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4)cc3n2)cc1 883443 OFVVGQKNKINSAC-UHFFFAOYSA-N 417.494 3.864 0 50 HHAA COc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1 1119664 XQPCXHXYUKPYMZ-UHFFFAOYSA-N 420.421 3.663 0 50 HHAA C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 1147948 APHMRPVKRJLDRN-KSFYIVLOSA-N 402.450 3.956 0 50 HHAA CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 1491591 DUHBVFMCIJLUJX-UHFFFAOYSA-N 423.579 3.659 0 50 HHAA in-vivo CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1Br 2502860 RCHQZRPDPHCHJW-OAHLLOKOSA-N 409.305 3.662 0 50 HHAA CCCN(CCC)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 2989824 HCPROOPSWLBHCG-NRFANRHFSA-N 404.576 3.673 0 50 HHAA CCc1c(C)sc(NC(=S)N2CCN(c3ccc(O)cc3)CC2)c1C(=O)OC 6394594 LUXHDALGIPCQGA-UHFFFAOYSA-N 419.572 3.630 0 50 HHAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)/C=C/c2c[nH]cn2)CC1 11664514 CKJBEQHIDIYXLV-CMDGGOBGSA-N 410.562 3.828 0 50 HHAA COC(=O)[C@@H](NC(=O)c1sc2ncnc(NC3CCCC3)c2c1C)c1ccccc1 12036874 ZWZOIYJUBFMGME-KRWDZBQOSA-N 424.526 3.998 0 50 HHAA COCc1nc2cccnc2n1C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 12079978 MVYCDXKGJAUDPQ-UHFFFAOYSA-N 414.893 3.797 0 50 HHAA CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 12314503 NGHXIGIDVFRANI-UHFFFAOYSA-N 406.534 3.891 0 50 HHAA Cc1nnc(SCC(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)o1 12463599 BZCCTCQSKJZTRN-KRWDZBQOSA-N 421.522 3.843 0 50 HHAA CN(C)c1ncc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 12467641 SGJAMJXECQHAMK-HNNXBMFYSA-N 422.545 3.796 0 50 HHAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCCC[C@@H]1CCn1ccnc1 19791362 RDZNZWCRUXMGAK-MRXNPFEDSA-N 416.428 3.813 0 50 HHAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1OC 20541002 JBFWUMDQWLGYMS-JOCHJYFZSA-N 410.558 3.778 0 50 HHAA CCc1ccccc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1ccccc1 101087414 DMTLEOYFKOVMBM-HFSMHLIXSA-N 412.555 3.749 0 50 HHAA Cc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(O)cc2)C1=O 135936840 MCEWVEMNJCRCNB-FDFHNCONSA-N 400.434 3.752 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)Cc4cccc(F)c4)C3)[nH]n2)cc1 169753952 IVLMAJWJALABKF-IBGZPJMESA-N 408.477 3.552 0 50 HHAA COc1ccc(CC[C@]2(C)NC(=O)N(Cc3c(Cl)cccc3OC)C2=O)cc1 239352068 AAYOCEBHKXWFRZ-NRFANRHFSA-N 402.878 3.801 0 50 HHAA COc1ccc(-c2noc(CCCC(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)n2)cc1 252571706 YLARIWDLJNEZMJ-XUVXKRRUSA-N 413.518 3.610 0 50 HHAA Cc1ccc(CNc2ncnc3sc(C(=O)N(C)C4CCN(C)CC4)c(C)c23)o1 299760990 QKDPJHULCMJTMV-UHFFFAOYSA-N 413.547 3.679 0 50 HHAA O=C(CSCc1ccc(Cl)cc1Cl)N[C@H](CO)C[C@@H](O)c1ccccc1 770836750 UHTXACQPWYOJIL-FUHWJXTLSA-N 414.354 3.827 0 50 HHAA CCn1nc(C)cc1C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704302898 DZVCVPVADTYSRT-DEOSSOPVSA-N 401.514 3.789 0 50 HHAA CN(C)C(=O)[C@H](NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 1875265191 XQZCQTIPLPSDNS-GOSISDBHSA-N 404.432 3.974 0 50 HHAA CC(C)CCN1CCC[C@@]2(CCCN(C(=O)c3ccc4c(c3)OCO4)[C@@H]2C)C1=O 1940195442 CWKSYQAOGLTJFH-HXOBKFHXSA-N 400.519 3.695 0 50 HHAA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC[C@](C)(O)c5cnn(C)c5)(C4)C2)C3)cc1 2325736023 HWKWVNWUHTYKHN-ZZHDAYTDSA-N 407.558 3.590 0 50 HHAA COc1ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c(OC)c1OC 886000 ZKCHLWAFYYSTMI-SFHVURJKSA-N 412.471 3.789 0 50 HHAA O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)N1CCCC1 2868777 YCFXOYBYNVNONJ-UHFFFAOYSA-N 413.326 3.811 0 50 HHAA CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 9584490 ZFEVPVIDDMXIDY-IBGZPJMESA-N 402.878 3.609 0 50 HHAA CC(=O)Nc1cccc(S(=O)(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1 11668157 SAIBFFVETUBDLS-FQEVSTJZSA-N 401.532 3.527 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCCN1Cc1nc2ccc(F)cc2[nH]1 11935586 ZPLNYALXRZZWAT-NRFANRHFSA-N 418.476 3.881 0 50 HHAA c1cncc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)c1 11938288 RNYWXEXKIMCPHW-SANMLTNESA-N 405.586 3.942 0 50 HHAA COc1ccc(CCN2CCC(CN(C)Cc3cnc(SC)nc3)CC2)cc1 12073309 VRYYNHFDWTZPQS-UHFFFAOYSA-N 400.592 3.594 0 50 HHAA CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12092975 GEMIQXMTTZAHJO-XMMPIXPASA-N 414.553 3.635 0 50 HHAA CN(C[C@@H](O)c1ccccc1)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 12094400 GUYOCDQQRODAQA-HSZRJFAPSA-N 412.493 3.721 0 50 HHAA COc1ccc(CN2CCC3(CC2)C[C@H]3C(=O)NCCCc2ccccc2)cc1O 12155253 XUYKVBYVNQAOLX-NRFANRHFSA-N 408.542 3.752 0 50 HHAA O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)c1cc2ccccc2[nH]1 12194780 GNZQGDISSJVYHI-GOSISDBHSA-N 405.498 3.581 0 50 HHAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2c(C)cc(C)[nH]c2=O)C1 12224701 QABVPXLSJQFRQI-VWLOTQADSA-N 424.541 3.800 0 50 HHAA COCC(=O)N1CCC(n2c(CCc3ccccc3OC)nc3ccccc32)CC1 12246580 RXUMHUHRJFZMCX-UHFFFAOYSA-N 407.514 3.640 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCC[C@H](C(=O)c3ccccn3)C2)c(OC)c1 12430573 JOHJFVUCKAYXSO-INIZCTEOSA-N 406.486 3.584 0 50 HHAA O=C(c1ccoc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12752468 MTGAXJGMRSJVEA-DEOSSOPVSA-N 408.542 3.780 0 50 HHAA CN1CCC(C(=O)NCCCOc2cccc(CN(C)C3CCCCC3)c2)CC1 14989317 BTGWMXFLIAJRGQ-UHFFFAOYSA-N 401.595 3.678 0 50 HHAA CCc1nnc(NC(=O)CSc2nnc(-c3csc(C)c3CC)n2C)s1 17088094 BLCDSSYEKRTZFE-UHFFFAOYSA-N 408.578 3.559 0 50 HHAA COc1cccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1OC 20608417 IOFLFIVWEYJIST-UHFFFAOYSA-N 408.420 3.681 0 50 HHAA COc1cccc(N2C(=O)C[C@@H](Sc3nc(C)c4cc(C)c(C)cc4n3)C2=O)c1 100617493 ZAQRQHFRNZTEIR-LJQANCHMSA-N 407.495 3.988 0 50 HHAA CCOc1ccc([C@@H]2Cn3nnc(-c4nc(-c5cccc(F)c5)no4)c3CO2)cc1 169758409 OHPYZPWZTGFAFP-SFHVURJKSA-N 407.405 3.804 0 50 HHAA C[C@H](OC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)C(=O)c1ccccc1 239347308 MRUWHASBVVNYNC-RNHZEXENSA-N 417.461 3.650 0 50 HHAA C[C@@H](NC(=O)Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C 728392590 MDFHQTVUEJDDJP-CYBMUJFWSA-N 409.877 3.927 0 50 HHAA COc1ccc2[nH]cc(CCNC(=O)C3CCN(C(=O)c4ccc(C)cc4)CC3)c2c1 952987976 MRYOHSFXTUEXDA-UHFFFAOYSA-N 419.525 3.696 0 50 HHAA O=C(c1ccccn1)[C@@H]1CCCN(Cc2cc3ccccc3nc2N2CCOCC2)C1 952991037 OEOSGDDFYGVWQE-HXUWFJFHSA-N 416.525 3.561 0 50 HHAA C[C@@H]1Oc2ccc(NC(=O)CC3CCN(Cc4ccccc4)CC3)cc2N(C)C1=O 1506418354 HFWIQUHBYCMOGL-KRWDZBQOSA-N 407.514 3.671 0 50 HHAA O=C(O)c1c(N2CCC[C@H](C(=O)N3CCCC3)C2)noc1-c1ccc(Cl)cc1 1704312874 AKZGIKIFJWKBRF-AWEZNQCLSA-N 403.866 3.532 0 50 HHAA O=C(NCc1cccc2[nH]ccc12)c1c(N2CCOCC2)noc1-c1ccccc1 1704326498 GDJPJCKDRSYDHQ-UHFFFAOYSA-N 402.454 3.590 0 50 HHAA NC(=O)[C@H](NC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1ccccc1F 2325703299 FSFNQFNRTDCQSO-OAQYLSRUSA-N 405.429 3.776 0 50 HHAA CCOc1ccc(OCc2ccc(C(=O)N3N=C(C)C[C@]3(O)C(F)(F)F)o2)cc1 652866 NJIUYDISHQVBPA-SFHVURJKSA-N 412.364 3.730 0 50 HHAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 676231 WJLFMRHNHJKVAF-LBPRGKRZSA-N 405.834 3.628 0 50 HHAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccc(C)cc2C(C)(C)C)c1 945336 QJNYGRWJHOWOBL-UHFFFAOYSA-N 413.470 3.883 0 50 HHAA CCOC(=O)c1c(NC(=O)c2cc3cccc(OC)c3oc2=O)sc(C)c1C 1077379 MJQAPMSEAXZRQN-UHFFFAOYSA-N 401.440 3.909 0 50 HHAA CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1Br 1120181 RGEVDDUMPBDWCL-UHFFFAOYSA-N 412.247 3.856 0 50 HHAA CN(c1ccc(C(=O)Nc2ccc(Cl)cn2)cc1)S(=O)(=O)c1ccccc1 1136646 AMDYKVCJDINVML-UHFFFAOYSA-N 401.875 3.812 0 50 HHAA Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 1137474 FDCHZQOVTNHLAG-UHFFFAOYSA-N 402.497 3.597 0 50 HHAA COc1ccc(Cc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1 1142155 NXHNMOGWTWTECL-UHFFFAOYSA-N 400.479 3.593 0 50 HHAA Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc3c(c2)OCCO3)CC1 6401133 VVMVEBLQWXKDSU-UHFFFAOYSA-N 403.935 3.939 0 50 HHAA COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 6690849 PUJOKRMQRBIWPG-UHFFFAOYSA-N 402.516 3.901 0 50 HHAA CCNc1nc(NCC)n2nc(SCC(=O)c3ccc(C(C)(C)C)cc3)nc2n1 6758006 JUCNECARGGVKIL-UHFFFAOYSA-N 413.551 3.655 0 50 HHAA c1cncc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)c1 11938287 RNYWXEXKIMCPHW-AREMUKBSSA-N 405.586 3.942 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccccc2N(C)C)C1 12308552 WNJVRYKJRYWPHI-XMMPIXPASA-N 412.505 3.920 0 50 HHAA C[C@H](c1ccon1)N(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 12317466 QAOGZVYAGFGLGN-MRXNPFEDSA-N 420.579 3.828 0 50 HHAA COc1ccc(C(=O)NC2CC2)c(OC2CCN([C@@H](C)CC(F)(F)F)CC2)c1 12474088 OQGKHHODGGHRPA-ZDUSSCGKSA-N 400.441 3.772 0 50 HHAA COc1ccc(CN2C(=O)O[C@@H]3CN(Cc4ccc(Cl)s4)C[C@@H]32)cc1OC 14960961 MQFYWDHTWIBNFV-WMLDXEAASA-N 408.907 3.624 0 50 HHAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1coc(COc2ccccc2F)n1 19720341 WUAAVAJEXSWUON-SFHVURJKSA-N 409.461 3.521 0 50 HHAA Cc1cc(C)n(-c2cccc(CN3CCN(Cc4ccccc4C)[C@@H](CCO)C3)c2)n1 20906721 BTYXTQTXDHONPF-SANMLTNESA-N 418.585 3.866 0 50 HHAA Cc1ccc(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)cc1C 101670042 DQBBYUHYAHLGFZ-IPJJNNNSSA-N 412.555 3.804 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(SC)cc5)no4)c3CO2)cc1 169769951 HKDAVZUIAJFOSM-SFHVURJKSA-N 421.482 3.997 0 50 HHAA O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1ccnc(-c2cncs2)n1 170617487 BYMGXCVUJRPPGQ-UHFFFAOYSA-N 400.407 3.561 0 50 HHAA Cc1cc2c(Nc3cnc(N4CCOCC4)c(Br)c3)ncnc2s1 225581217 ZDLHIUHDFKWADM-UHFFFAOYSA-N 406.309 3.737 0 50 HHAA O=C(Nc1cccc(Cl)c1)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)CC1 239426022 VPTGDJDMBLXQCZ-QTOLMLJGSA-N 424.928 3.890 0 50 HHAA C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](c1ccccc1)c1nnc[nH]1 253419148 JZFSZIXWHHXPHF-SCLBCKFNSA-N 403.408 3.920 0 50 HHAA O=C(NCc1ccc2c(n1)CCCC2)c1ccc(I)c(F)c1 470198435 RSRGLVALVKIMGI-UHFFFAOYSA-N 410.230 3.634 0 50 HHAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1csc(-c3cnccn3)n1)O2 670461908 WKKXSBRKYSFYEL-QFIPXVFZSA-N 424.526 3.631 0 50 HHAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccc(CSc2ccccn2)cc1 952991527 UDAIDQCJZMXNNH-UHFFFAOYSA-N 424.570 3.784 0 50 HHAA Cc1noc(-c2ccc(S(=O)(=O)N3CCCC[C@@H]3c3nc(C(C)C)no3)o2)c1C 1506419482 QJDFASBUNLTXDF-CQSZACIVSA-N 420.491 3.974 0 50 HHAA Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1 1875350383 KKJRNLOIOSDIFT-UHFFFAOYSA-N 405.845 3.709 0 50 HHAA Cc1cc(Cl)ccc1OCC(=O)NS(=O)(=O)c1csc(-c2ccccc2)n1 2325866559 PNXVFFWTIIYZGQ-UHFFFAOYSA-N 422.915 3.656 0 50 HHAA O=C(O)c1cc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2cccc(F)c2)ccn1 2356159646 LEOMXXVTXBKCBU-PNQHUFSXSA-N 409.505 3.841 0 50 HHAA Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 820657 GUYUDRPTLMGJKS-HNNXBMFYSA-N 406.718 3.895 0 50 HHAA Cc1sc(NC(=O)c2ccccc2)c(C(=O)NN2C(=O)c3ccccc3C2=O)c1C 846129 NMXKYWZANHEQKS-UHFFFAOYSA-N 419.462 3.558 0 50 HHAA Cc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)cc(C)c1Br 1160290 ZQDWHNXAIAEDJY-UHFFFAOYSA-N 403.320 3.794 0 50 HHAA NC(=O)c1ccc(NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 1804763 KORJMZLOTUTQFO-UHFFFAOYSA-N 416.553 3.660 0 50 HHAA Cc1cc(Cl)ccc1OCCNS(=O)(=O)c1ccc(Br)s1 2875465 REIWVSHCEYAASJ-UHFFFAOYSA-N 410.742 3.830 0 50 HHAA O=C(Nc1ccnn1C1CCN(Cc2ccc3nonc3c2)CC1)c1cccc(F)c1 11769576 LWGFHCNDJCYMQW-UHFFFAOYSA-N 420.448 3.648 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N(C)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 11841541 MQNXGIKAHITOPP-NRFANRHFSA-N 414.569 3.522 0 50 HHAA COC(=O)c1cc(CNC(=O)c2ccccc2Cl)cc(NC(=O)c2ccncc2)c1 11996285 RQVMJWQLSKMLHM-UHFFFAOYSA-N 423.856 3.704 0 50 HHAA COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)N(C)Cc1nc3ccccc3s1)C2 12123742 CTPGJHXBLPCOIB-HNNXBMFYSA-N 411.527 3.546 0 50 HHAA CSc1cccc(CNCc2ccc(OC[C@H](O)CN3CCCCC3)cc2)c1 12710868 FLMXCATVUWTSNY-OAQYLSRUSA-N 400.588 3.924 0 50 HHAA CCN1CCN(C(=O)CCC2CCN([C@@H](C)Cc3ccc(Cl)cc3)CC2)CC1 14953699 FWEWHOXBLZOBFT-IBGZPJMESA-N 406.014 3.927 0 50 HHAA CCN1CCN(c2ccc(NC(=O)c3cncc(Br)c3)cc2Cl)CC1 16475274 LBEWAQCSYNIIOR-UHFFFAOYSA-N 423.742 3.892 0 50 HHAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 95520499 SQSFLXGVIQSWCH-QHCPKHFHSA-N 404.470 3.685 0 50 HHAA CCCS(=O)(=O)N1CCC[C@H](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 95531186 WHWVDENQSKYNSX-CQSZACIVSA-N 402.944 3.519 0 50 HHAA CN1CCC[C@H](COc2cccc(CN(C(=O)c3cn4ccccc4n3)C3CC3)c2)C1 299767638 MQRYZZPKOQYDSD-FQEVSTJZSA-N 418.541 3.860 0 50 HHAA C[C@H](c1ccncc1)N1CCC(NC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 439736983 WPXPKCNVJAJYDE-GOSISDBHSA-N 411.521 3.611 0 50 HHAA Cc1nn(-c2ccc(C(=O)NCc3cc(CC(C)C)no3)cc2)c(=O)c2ccccc12 821483392 SQHAIBVTYKUBQG-UHFFFAOYSA-N 416.481 3.811 0 50 HHAA C[C@H](NC(=O)CN1C(=O)c2ccccc2C(F)(F)C1=O)c1ccc2ccccc2c1 1307328533 ICZIYYDMCANBTL-AWEZNQCLSA-N 408.404 3.791 0 50 HHAA CCOC(=O)[C@H]1S[C@@]2(C(F)F)C[C@H]1c1c(c(OC)c3occc3c1OC)O2 1772492462 PZLVJWVPNIQKIN-QPOPMBAUSA-N 400.399 3.956 0 50 HHAA COCCn1cnnc1[C@@H](C)n1ccnc1-c1cnc(-c2ccccc2OC)s1 1857692052 MMGWAOLUCITYCL-CQSZACIVSA-N 410.503 3.529 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(-c3ccccc3)n(C)n2)CC1 2356155760 MAPGYNBUMWGWHK-UHFFFAOYSA-N 417.509 3.800 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1Cl 869395 XPIRXDDKBIIDFF-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 1143177 SEYMHMURAIEOCW-UHFFFAOYSA-N 420.962 3.980 0 50 HHAA C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)c2ccccc2)n1C 2868512 JNCZHRABLLAZPH-ZDUSSCGKSA-N 414.918 3.935 0 50 HHAA CCOC(=O)c1ccc(NC2=C[C@@](C)(C(=O)OCC)N(c3ccccc3)C2=O)cc1 2959618 SLLHYJKEHVXCJI-QHCPKHFHSA-N 408.454 3.528 0 50 HHAA Cn1c([C@H]2CCCO2)nc2cc(NC(=O)CC3CCCC3)cc(C(=O)NC3CC3)c21 11785133 NFOSKICNGNTARW-LJQANCHMSA-N 410.518 3.836 0 50 HHAA O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 12002828 VAXIVGWIPSMWAR-QHCPKHFHSA-N 409.574 3.506 0 50 HHAA Cc1cc(C(=O)NC[C@@H]2CCC3(CCN(CC[C@H](C)c4ccccc4)CC3)O2)n(C)n1 12135786 LMWHMDYKNKMUFL-UGKGYDQZSA-N 424.589 3.666 0 50 HHAA CCN(CC)C[C@H](O)COc1ccc(CNCCc2ccc(Cl)cc2)cc1OC 12300672 UQZVIHBXIYDNOD-NRFANRHFSA-N 420.981 3.762 0 50 HHAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)c2cccs2)C1 12303323 PNKYDTRBQODHIM-LJQANCHMSA-N 415.603 3.673 0 50 HHAA O=C1CCN([C@@H]2CCc3ccccc3C2)CCN1Cc1cc2c(cc1Cl)OCO2 12455918 DQLYCLRTDREEFZ-LJQANCHMSA-N 412.917 3.661 0 50 HHAA CCOC(=O)c1nn(CC(C)C)c2c1CN(Cc1cc3c(cc1Cl)OCO3)CC2 14532657 AYOSJBFUERLHCO-UHFFFAOYSA-N 419.909 3.656 0 50 HHAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccccc1)CC2 14733473 GBJCKEJYDCMEKP-UHFFFAOYSA-N 407.514 3.514 0 50 HHAA CN(Cc1cccn1-c1ncccn1)CC1CCN(CCc2ccc(F)cc2)CC1 14963756 BFZQMTBKIFFWHG-UHFFFAOYSA-N 407.537 3.793 0 50 HHAA Cn1cc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cn1 15064528 LQAYWGBRHOKGMB-HXUWFJFHSA-N 401.470 3.831 0 50 HHAA COC(=O)c1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cc1 15768566 RKHACVKUVNTSMJ-XDHOZWIPSA-N 402.431 3.504 0 50 HHAA COc1ccc(CN2CCN(C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)cc1C 19782094 FTDSCZSTHXZZAY-VWLOTQADSA-N 423.601 3.541 0 50 HHAA CN(Cc1cc2c(cc1Cl)OCO2)Cc1nnc(SCc2ccncc2)n1C 64157661 QAIFUIJUGSMOTK-UHFFFAOYSA-N 417.922 3.517 0 50 HHAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc(C)c(Cl)c2)n1 72117794 HTTQOJGDTFXYOI-UHFFFAOYSA-N 402.930 3.971 0 50 HHAA CN(CCCN1CC2(CCN(C(=O)c3ccccc3)CC2)OC1=O)C1CCCCC1 77319011 RSUHBWLPZPXCSU-UHFFFAOYSA-N 413.562 3.768 0 50 HHAA O=C(c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)N1CCC[C@@H]1c1nccs1 91440322 KRAOQVATPXVMQU-DCJJRUGTSA-N 410.543 3.672 0 50 HHAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2csc3c2CCCC3)C1 95501980 MJWCKBIMVXOQGT-KRWDZBQOSA-N 400.592 3.795 0 50 HHAA O=C(N[C@H]1CCCN(c2cc(-c3ccccc3)n[nH]2)C1)c1ccc(Br)o1 169753315 ZPUCZEOVYPGJCT-AWEZNQCLSA-N 415.291 3.831 0 50 HHAA Cc1nn2c(c1C(=O)N1CCC(N3CCCCC3)CC1)N[C@H](c1cccc(F)c1)C2 263617011 LQHPCASPVMTWBS-FQEVSTJZSA-N 411.525 3.588 0 50 HHAA CNC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)cc1Cl 390832814 BYKQIISMVVXTEE-JSGCOSHPSA-N 409.914 3.674 0 50 HHAA CC(C)Cc1cc(C(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)n(C)n1 426383881 RFSZHRKSQLEXKM-XMMPIXPASA-N 414.594 3.654 0 50 HHAA C[C@H]1C[C@H](NC(=O)NCC2(c3cccc(F)c3)CC2)c2ccsc2S1(=O)=O 460533213 FZULDZPUMRIODO-LRDDRELGSA-N 408.520 3.525 0 50 HHAA Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H](C)C[C@H](O)c1ccccc1)CC2 762688913 CTLXKTMAZLRGLR-DWQUBVKVSA-N 407.436 3.537 0 50 HHAA COc1ccccc1[C@@H](CNC(=O)c1c(Cl)nc2ccccn12)N1CCCCC1 918346676 AJNCQJQOFSSCSU-QGZVFWFLSA-N 412.921 3.953 0 50 HHAA CCCC[C@@H](NCc1ccc(OC)c(OCCN2CCOCC2)c1)c1cccnc1 952971766 UHCQUXMMZCKFJJ-JOCHJYFZSA-N 413.562 3.822 0 50 HHAA O=C(CCC1CCCC1)N1C[C@@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@]2(CO)C1 1772809878 GHCJARBDOVRJBE-PGRDOPGGSA-N 408.945 3.702 0 50 HHAA O=S(=O)(c1cc(Cl)c(Cl)cc1Br)n1nnc2ccccc21 1775971322 NKHBNDGBDVIXEQ-UHFFFAOYSA-N 407.076 3.738 0 50 HHAA COc1ccc(-n2c(-c3ccncc3)nn(CN(C)Cc3ccon3)c2=S)cc1 1875259929 VQOCQVXHZQMTPK-UHFFFAOYSA-N 408.487 3.551 0 50 HHAA CC(C)C[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2Cc1ccsc1)C(=O)O 2325745121 URWHNHNFBRJSFZ-SFHVURJKSA-N 412.515 3.648 0 50 HHAA Cc1cccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1 655751 LUNMZDUZZOOPPE-UHFFFAOYSA-N 424.478 3.558 0 50 HHAA COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC 1075989 UOQLYUFUPFJUKI-NRFANRHFSA-N 419.485 3.840 0 50 HHAA COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(C)cc1C 1115410 BPQVPUGFHFPZRN-UHFFFAOYSA-N 408.951 3.785 0 50 HHAA CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccccn1 2348751 FGPCSXKXLCTOJJ-UHFFFAOYSA-N 418.320 3.853 0 50 HHAA COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)cc(Br)c1OCc1ccccc1 2501106 YTLSLXBJQVQBSF-RHSMWYFYSA-N 424.316 3.825 0 50 HHAA CC[C@H](C)NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 3004199 RCCAZVJCZZCMLT-INIZCTEOSA-N 408.951 3.754 0 50 HHAA CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1 6767388 NBGAYFSKKPFDDT-UHFFFAOYSA-N 401.466 3.630 0 50 HHAA CC(=O)c1ccc(OCC(=O)N2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 11842633 UHXCWWCOZAQNBW-VWLOTQADSA-N 409.526 3.892 0 50 HHAA CCOc1ccc([C@H](CC(=O)O)NC(=O)c2cccc(Br)c2)cc1OC 12412052 XTULTIMLNQDAOX-HNNXBMFYSA-N 422.275 3.802 0 50 HHAA Cc1nn(CC(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)c(=O)c2ccccc12 12430158 XKYREASRGNUDHU-NRFANRHFSA-N 418.541 3.931 0 50 HHAA COCCNC(=O)c1cccc(OC2CCN(Cc3nc(C(C)C)cs3)CC2)c1 19336916 XHHPQLSYWDWORJ-UHFFFAOYSA-N 417.575 3.686 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c2ccc(F)cc2)cc1 101574513 IMYOYOFRKHFZIY-XGHQBKJUSA-N 416.518 3.634 0 50 HHAA Cc1ccc(-c2nc(C)sc2CC(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 229745262 XWWPXAIZTUYQID-ULQDDVLXSA-N 401.576 3.583 0 50 HHAA COc1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)c(OC)c1 238950220 XEMNAVFVVNBJFO-QAQDUYKDSA-N 421.497 3.859 0 50 HHAA CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)c2C(N)=O)C1 245227710 MAKHAKHKBQWTRQ-WCGFVAAJSA-N 416.543 3.604 0 50 HHAA COc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)OCO3)c2c(O)cc(C)oc2=O)cc1 253470707 AISGMWORNUOCDF-QGZVFWFLSA-N 423.421 3.552 0 50 HHAA COC(=O)c1cn(C[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc2c(=O)[nH]nc1-2 263587480 HKHJOSHVZYNNNN-OAHLLOKOSA-N 418.478 3.838 0 50 HHAA CC[C@H]1CCCN(C(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1 447021493 SKHMBDXZBLTQJK-ZDUSSCGKSA-N 406.470 3.831 0 50 HHAA C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccn(-c3ccc(F)cc3F)n2)C1=O 485994847 VNUVVQOAGQAWAI-HXUWFJFHSA-N 416.815 3.771 0 50 HHAA O=C(CNC(=O)OCc1ccccc1)Nc1ccc(-n2cnc3ccccc32)cc1 921303850 DXEMNAYXMVWLNJ-UHFFFAOYSA-N 400.438 3.890 0 50 HHAA Cc1ccccc1OC[C@H]1CCCN(C(=O)c2ccc(N3CCN(C)CC3)cc2)C1 1506410577 MJVHXTZULSQBLA-NRFANRHFSA-N 407.558 3.678 0 50 HHAA O=C(OCc1nc2ccc(Cl)nc2[nH]1)c1nnn(-c2cccc(F)c2)c1C1CC1 2325703724 PYCPRSZQHYVCJX-UHFFFAOYSA-N 412.812 3.566 0 50 HHAA CC(C)(C)OC(=O)c1cc2c(=N[C@@H](CCO)c3ccccc3Cl)nc[nH]c2[nH]1 2325840189 SUPUDZKGUQFXSD-HNNXBMFYSA-N 402.882 3.524 0 50 HHAA CC(C)N1CCN(C)C(=O)[C@@]2(CC=CCC[C@H](c3ccccc3)C1=O)CCCNC2 2325894001 IPCIVHJKRUGNIY-RDGATRHJSA-N 411.590 3.576 0 50 HHAA CC(C)CCn1c(SCc2cccc3ccccc23)nc2c1c(=O)[nH]c(=O)n2C 631555 REYIADOTHHHYLT-UHFFFAOYSA-N 408.527 3.915 0 50 HHAA CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc1OC 861054 FPKUOBAUAKOAKQ-OAQYLSRUSA-N 410.470 3.508 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)Cc2cccc(C)c2)cc1 1126591 YPAMLLWISCZOCM-UHFFFAOYSA-N 422.550 3.811 0 50 HHAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)cc1OC 1217575 ADAVDMHUHALCNU-LJQANCHMSA-N 415.877 3.932 0 50 HHAA CCCc1cc2c3c(c(=O)oc2cc1OC(=O)CNC(=O)OC(C)(C)C)CCC3 2123985 FJXMFVPPORUFBS-UHFFFAOYSA-N 401.459 3.664 0 50 HHAA biogenic COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OC)c(Cl)c2)cc1 5049749 UTJXESOPEQJCKJ-IBGZPJMESA-N 416.861 3.729 0 50 HHAA Cn1ccnc1[C@@H]1CCCCN1C(=O)CCc1nnc(CCCc2ccccc2)o1 11820405 DUMLXGIMMSTCCK-IBGZPJMESA-N 407.518 3.665 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2nonc2C)CC1 11821708 ORZPJSVCCVSJQW-UHFFFAOYSA-N 419.529 3.636 0 50 HHAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCCN2CCCC2=O)cc1 11844295 DUMYOTOCLLTAEB-HXUWFJFHSA-N 408.546 3.713 0 50 HHAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)Cc2sc(C)nc2C)C1 12053371 JHNNAYFIPSSUKS-LJQANCHMSA-N 415.603 3.724 0 50 HHAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1ccccc1Cl)CC2 14750344 JFMQNFQHOLLNKH-INIZCTEOSA-N 412.921 3.586 0 50 HHAA CCc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C(N)=O)cc1 17089225 PVFSCEJMKFTQQV-HZPDHXFCSA-N 412.511 3.990 0 50 HHAA O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc(Br)cc1 19850915 VZYBTTCYZOSEFH-UHFFFAOYSA-N 402.336 3.596 0 50 HHAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19973804 DNKCFIFHOSXMKJ-KDOFPFPSSA-N 411.329 3.651 0 50 HHAA COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 52541473 SBPRIAGPYFYCRT-UHFFFAOYSA-N 422.573 3.826 0 50 HHAA biogenic,in-vitro O=C1NC(=O)[C@@H](Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 71770828 XVNZNIIVZXQZBX-HXUWFJFHSA-N 402.450 3.595 0 50 HHAA Cc1cc(C)cc(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)c1 101834277 KAKUBLYVCPXEQE-IPJJNNNSSA-N 412.555 3.804 0 50 HHAA C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772407 CQBKWDUVHCLKBN-HNNXBMFYSA-N 406.452 3.849 0 50 HHAA O=C(Cn1ncc2ccccc2c1=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 169774009 FACVGGMMIWPJEX-SFHVURJKSA-N 406.873 3.725 0 50 HHAA CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3c(O)cccc32)ccc1C 170611452 ALYCNKRMHPXULS-IBGZPJMESA-N 416.543 3.539 0 50 HHAA NC(=O)[C@H](NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1)c1ccccc1 465508514 MQJTVUSHAGVEID-HXUWFJFHSA-N 411.408 3.783 0 50 HHAA CN(C)[C@@H]1Cc2ccccc2N(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1 731468512 OQOZNWWWGXJJLU-JOCHJYFZSA-N 414.505 3.816 0 50 HHAA O=C1CCCc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)ccc2N1 732988658 WFORXHVSVCKPSU-LJQANCHMSA-N 406.454 3.765 0 50 HHAA CCC1CCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)(C(=O)OC)CC1 1445300377 XATNNHPOVAHNBU-JXORXQGFSA-N 412.571 3.944 0 50 HHAA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1ccc(-c2noc(C3CC3)n2)cc1 1506397491 NPUASOCOPDDGLH-UHFFFAOYSA-N 401.426 3.936 0 50 HHAA O=C(CCc1cnccn1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857699909 DACDGFXBCRTPIA-QHCPKHFHSA-N 422.573 3.508 0 50 HHAA COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C1=NOC(C)(C)C1)CC2 1875302295 JJRZXXXJZRFPPO-IBGZPJMESA-N 400.500 3.794 0 50 HHAA Cc1n[nH]c(C)c1Cc1nc(-c2cccc(N3CCCC3)n2)nn1[C@@H](C)C(F)(F)F 1875348850 DTYGPZAKZVCBAP-AWEZNQCLSA-N 419.455 3.994 0 50 HHAA COC(=O)c1cccc(CNC(=O)CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1 2332239329 HUPNHUCQCOGJGV-DEOSSOPVSA-N 420.484 3.950 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 893052 BGYYMYQDOXWVSZ-UHFFFAOYSA-N 420.534 3.809 0 50 HHAA O=C(Cc1ccc(I)cc1)OCC(=O)c1ccc(Cl)cc1 1100769 WLLSBFFGQHRTNU-UHFFFAOYSA-N 414.626 3.913 0 50 HHAA O=C(O)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 1517349 QTYKQUZAELQIIZ-KRWDZBQOSA-N 401.260 3.992 0 50 HHAA CC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)nc(=S)n(-c2ccccc2)c1C 2835317 LFTVSICQTDGSNS-UHFFFAOYSA-N 422.510 3.668 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Cl)cc1 2869304 HJNLTVMCSYCPFY-UHFFFAOYSA-N 420.840 3.759 0 50 HHAA CCCc1ccc(OCCNS(=O)(=O)c2ccc(Br)s2)cc1 2877060 FHYOTUIFDAWMMB-UHFFFAOYSA-N 404.351 3.820 0 50 HHAA O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1Cc1ccccc1 2942943 MBHKTRQQANAWCR-UHFFFAOYSA-N 423.472 3.674 0 50 HHAA CC[C@@H](NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1ccncc1 12308951 YBACRWPLBWIDJV-JOCHJYFZSA-N 407.514 3.743 0 50 HHAA Cc1cc(OCC(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)ccc1Cl 12404257 VZYGWPJMNBAETL-SFHVURJKSA-N 402.878 3.575 0 50 HHAA COC(=O)c1ccsc1NC(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 13324444 LCXMAOTWVLZCBU-UHFFFAOYSA-N 423.922 3.546 0 50 HHAA OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1Cc1ccccc1 19222358 MYTKPIAPOTZWIR-JOCHJYFZSA-N 410.949 3.799 0 50 HHAA CN(CCc1ccccn1)[C@@H]1CCc2c(sc3ncn(C4CCCC4)c(=O)c23)C1 20920383 ZNLHYYKKIBYAJA-GOSISDBHSA-N 408.571 4.000 0 50 HHAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)NCCc1c[nH]c2ccc(Cl)cc12 40286331 HHKDPXWTBYUHDC-UHFFFAOYSA-N 424.863 3.543 0 50 HHAA COc1ccc(-n2ccnc2CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 42963181 ULCWJGDDZDFKNT-XMMPIXPASA-N 409.505 3.837 0 50 HHAA CCN(Cc1cnc(SC)nc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 55198421 CHPMRIPEFGFRQZ-FQEVSTJZSA-N 414.619 3.984 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(N(C)C)cc4)C3)[nH]n2)cc1 169753923 IONLKFVBOIJSRF-LJQANCHMSA-N 419.529 3.550 0 50 HHAA COc1cccc([C@@H](NC[C@H](O)COc2cccc3[nH]ccc23)c2ccccn2)c1 170598104 KGTNEDVNHDVXBP-MHECFPHRSA-N 403.482 3.690 0 50 HHAA O=C(OCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C[C@@]23C=C[C@H]1O3 222339855 YQTZBTOOISNFSV-VUMQFKOGSA-N 411.457 3.870 0 50 HHAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 238901299 LFJOVMNQTHWWAF-NJZAAPMLSA-N 422.399 3.855 0 50 HHAA COCCCN1Cc2ccc(NS(=O)(=O)c3cc(OC)ccc3Cl)cc2C1 241124288 JGYWRDXTYDARSB-UHFFFAOYSA-N 410.923 3.502 0 50 HHAA CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CN[C@H]3CCCC[C@H]3C)cc12 245238303 JASNWUQUBISMEN-MDYRTPRTSA-N 402.535 3.571 0 50 HHAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 252488119 IKAVDGTVLHVQMM-HOYKHHGWSA-N 407.514 3.793 0 50 HHAA O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)C1CCC(Cn2cnnn2)CC1 299754406 KFCQFRXXNLDAOZ-WTNGLUPJSA-N 412.925 3.808 0 50 HHAA C[C@H]1CN(Cc2cccc(OCCCn3ccnc3)c2)CCN1c1ccc(F)cn1 1857677186 RIRBVGDNMPIOHB-IBGZPJMESA-N 409.509 3.597 0 50 HHAA C[C@H]1CC[C@H](NC(=O)c2ccccc2S(=O)(=O)Cc2cn3ccccc3n2)CC1 1875387987 ILGWPJACVYEDTB-QAQDUYKDSA-N 411.527 3.617 0 50 HHAA CCOc1ccccc1C(=O)N1C[C@H](C)N(C(=O)c2ccccc2OCC)C[C@@H]1C 669727 AUDQJKYQQYNZFO-ROUUACIJSA-N 410.514 3.859 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc(C)c2C)cc1 1138405 MFEXLSUCCNKJCA-UHFFFAOYSA-N 409.511 3.841 0 50 HHAA COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 2852584 AVULSFFUPCJVND-NSHDSACASA-N 417.314 3.795 0 50 HHAA CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCc2ccccc2)c1 4549968 NCJMEKZCQDIVLX-HXUWFJFHSA-N 412.511 3.800 0 50 HHAA COc1ccc(CN(C)Cc2ccc(C)cc2)cc1OC[C@@H](O)CN1CCCCC1 11817822 NIXBEORJQDKTRN-QHCPKHFHSA-N 412.574 3.861 0 50 HHAA Cc1csc(-c2cc(C(=O)N(C)[C@@H](C)c3nccs3)cc(-n3cnnn3)c2)c1 12331358 HZEBRDGFUKHCSU-ZDUSSCGKSA-N 410.528 3.989 0 50 HHAA CSc1cccc(CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c1 12468870 FISVPSUZSJBHMJ-IBGZPJMESA-N 403.636 3.953 0 50 HHAA Cc1ccn(CC(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1 12596366 XLIIZHOTGGYYTK-FQEVSTJZSA-N 420.488 3.875 0 50 HHAA CN(C(=O)c1ccc(-n2cc(NC(=O)c3ccoc3)cn2)cc1)C(C1CC1)C1CC1 14992862 MNSFCAVBRQLWRC-UHFFFAOYSA-N 404.470 3.978 0 50 HHAA Cn1c(SCCN2CCCCC2)nnc1C1CCN(Cc2ccsc2)CC1 14996869 SFEFXLPTURQNFL-UHFFFAOYSA-N 405.637 3.834 0 50 HHAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 19880238 NAANCICQVRWRKA-UHFFFAOYSA-N 418.868 3.865 0 50 HHAA O=c1c2cnc3ncnn3c2ccn1-c1nc2ccc(Oc3ccccc3)cc2s1 38784085 VFHSURPBKWHXDD-UHFFFAOYSA-N 412.434 3.830 0 50 HHAA O=C(c1ccccn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55107961 NGFOFUIIUVICLB-LJQANCHMSA-N 418.463 3.527 0 50 HHAA NCCCCCC(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 67677062 UDQXPGPTJKLJBC-UHFFFAOYSA-N 402.542 3.994 0 50 HHAA Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(Cc3ccon3)CC2)n1 116744882 XPWHRQHBPRSUAW-UHFFFAOYSA-N 419.464 3.554 0 50 HHAA in-vitro Clc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccc6c(c5)OCO6)n4)c3CO2)cc1 169780849 TXSJCPQAYNDCJH-KRWDZBQOSA-N 423.816 3.649 0 50 HHAA C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 170624853 QZHXALIUTXTVST-VLIAUNLRSA-N 413.905 3.821 0 50 HHAA CC(C)NC(=O)Nc1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)C[C@@H]2C)c1 225610323 RTERGCHLUIHUQF-KRWDZBQOSA-N 412.509 3.702 0 50 HHAA CNC(=O)c1ccc(OC)c(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)c1 252485596 GZWRNTZYDJTQJQ-UHFFFAOYSA-N 420.494 3.945 0 50 HHAA CCc1noc(-c2cccn3c(CNC(=O)c4ccc(C(C)(C)C)cc4)nnc23)n1 263615153 AWIBOOGMLYXBLA-UHFFFAOYSA-N 404.474 3.569 0 50 HHAA Cc1cc(=O)n2nc(CN3CCC[C@@H]3c3ccc(Br)c(F)c3)sc2n1 430222654 WOZYEDMDXFXVPO-CQSZACIVSA-N 423.311 3.698 0 50 HHAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2ccc3sc4c(c3c2)CCNC4=O)n1 952986056 WENMLLDBKFZKTJ-HNNXBMFYSA-N 410.499 3.671 0 50 HHAA CCCn1nc(Cc2ccc(OC)cc2)nc1[C@H]1CCCN(Cc2ncc[nH]2)CC1 1772807862 URIZNJFGIZMJMR-IBGZPJMESA-N 408.550 3.780 0 50 HHAA COc1ccc(C)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857736531 LCDUMMQHTVAAFT-BBTUJRGHSA-N 400.906 3.601 0 50 HHAA CCc1ccc(-c2cn(Cc3ncoc3CNC(=O)[C@H](C)c3ccc(C)o3)nn2)cc1 1875338270 RFLPCVWWCDTPEN-MRXNPFEDSA-N 419.485 3.865 0 50 HHAA O=C(Cc1csc(N2CCCNC2=O)n1)Nc1cccc([C@H](F)C(F)(F)F)c1 2325851672 GGMDHTWPRJHOAZ-AWEZNQCLSA-N 416.400 3.817 0 50 HHAA O=C(COc1ccc(Br)cc1Br)Nc1cccc(O)c1 626400 YLKZPXISJIEBOP-UHFFFAOYSA-N 401.054 3.935 0 50 HHAA Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 827220 JDXRLQHDGXYKKD-HNNXBMFYSA-N 416.271 3.537 0 50 HHAA CCSc1nnc2c(n1)O[C@@H](c1ccc(OCC(=O)O)cc1)Nc1ccccc1-2 1507296 UPUKZMSYMFEDBY-SFHVURJKSA-N 410.455 3.617 0 50 HHAA COc1cc(CN(CCCN(C)C)CCCN(C)C)ccc1OCc1ccccc1 4612470 CMNBFNNPYPRNMB-UHFFFAOYSA-N 413.606 3.980 0 50 HHAA Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)c2)c1 4821409 OITVFZXFBDIOLE-XTSANDPQSA-N 404.466 3.692 0 50 HHAA CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 7495604 PKVZBQSMHRVFBM-HXUWFJFHSA-N 419.481 3.816 0 50 HHAA CC[C@H]1CN(CCC(=O)N2CCC[C@@H]2c2nccs2)Cc2cc(OC)ccc2O1 11910152 JJNMIPRSAJXCLP-PKOBYXMFSA-N 415.559 3.879 0 50 HHAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3snnc3C)C2)cc1Cl 12057127 RUPLWBSAAQDKGA-CYBMUJFWSA-N 422.938 3.780 0 50 HHAA Cc1ccccc1N1CCN(C(=O)CCc2nnc(CCCc3ccccc3)o2)CC1 12201536 CKAOJFAZMXHKAI-UHFFFAOYSA-N 418.541 3.835 0 50 HHAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)NCCc2ccccc2)CC1 12478410 ZKONKXPQFIKKIJ-HXUWFJFHSA-N 402.535 3.543 0 50 HHAA COc1ccc(CC(=O)N(C)C[C@H]2CCCN(CCc3ccccc3OC)C2)cc1 12586166 JYPOOHGBVRPMHO-OAQYLSRUSA-N 410.558 3.659 0 50 HHAA COc1ccccc1C(=O)N1CCC(n2c([C@H]3CCCO3)nc3cccnc32)CC1 12726806 CEZMGTSAAPFGJC-HXUWFJFHSA-N 406.486 3.769 0 50 HHAA COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2c(Br)c(C)nn12 13645772 GWUUADAHBQFTBE-UHFFFAOYSA-N 412.190 3.855 0 50 HHAA C[C@H](c1ccon1)N(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 15080316 MYQRBUQJIGTNMM-GOSISDBHSA-N 420.513 3.946 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(C)cc3)n2)ccc1C 16651784 WIMGKUWGEQHZDJ-MRXNPFEDSA-N 404.470 3.685 0 50 HHAA COc1ccccc1N1CCC(N2CCN(Cc3ccccc3C)[C@@H](CCO)C2)CC1 22918741 UWPBSMRLJVODTO-DEOSSOPVSA-N 423.601 3.541 0 50 HHAA Cc1cccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 23382457 ABOGJVFDODSKTL-OAQYLSRUSA-N 411.465 3.856 0 50 HHAA CSc1nc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cs1 55358274 XTESAQMQSUNKHI-KRWDZBQOSA-N 416.616 3.600 0 50 HHAA Cc1ccccc1CN1CCC(C(=O)N(C)Cc2nc(-c3ccccc3)no2)CC1 67623014 OLGMKGLFWWESDF-UHFFFAOYSA-N 404.514 3.916 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 100722360 AWYACEIVBOFBHB-YPAWHYETSA-N 418.424 3.885 0 50 HHAA O=C(c1cccc(F)c1)N1CCC2(CC1)NC(c1ccc(Br)cc1)=NO2 169755053 IMLBFJNCKNQOBZ-UHFFFAOYSA-N 418.266 3.502 0 50 HHAA Cc1noc([C@@H]2COCCN2Cc2cc(Br)cc(C(F)(F)F)c2)n1 170596322 YDCAJXNYISZFHU-ZDUSSCGKSA-N 406.202 3.733 0 50 HHAA C[C@@]12CCC(=O)N1c1ccc(Br)cc1-c1nc(=O)c(-c3ccccc3)nn12 170620173 VPJBIBYBDNVRTK-HXUWFJFHSA-N 423.270 3.548 0 50 HHAA COC(=O)c1ccc(C)c(NC(=O)CN(C)[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1 241930299 UHKWHLBHIMFQGW-XXBNENTESA-N 423.557 3.563 0 50 HHAA COc1ccc(OC)c2nc(N3CCCC3)c(CNCc3ccc4c(c3)OCO4)cc12 299794559 KMILGNYUNILVLW-UHFFFAOYSA-N 421.497 3.871 0 50 HHAA Cc1ccccc1C1(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCOCC1 439770065 PCSPMWVSYDJGHK-HXUWFJFHSA-N 407.558 3.780 0 50 HHAA Cc1c(NC(=O)[C@@H]2CCCO2)cccc1C(=O)NCc1coc(-c2ccccc2)n1 827753026 UIONPFYUYVGEGO-FQEVSTJZSA-N 405.454 3.698 0 50 HHAA Cc1nccn1-c1ccc(CNC(=O)NCc2ccc(-c3cc[nH]n3)cc2)cc1F 1875252793 PLTZXYXKUWBKNE-UHFFFAOYSA-N 404.449 3.709 0 50 HHAA Cc1cc(-n2c(C)cn(CN(C)[C@@H](c3ccc(Cl)cc3)c3cccnc3)c2=O)no1 1875257183 FTFJMFWHXYIFNF-NRFANRHFSA-N 423.904 3.971 0 50 HHAA Cc1ccc(NC(=O)CSc2ccccc2C(=O)N=c2cc3c(n[nH]2)CCC3)cc1 1875265238 AEVOUABQJMZKKH-UHFFFAOYSA-N 418.522 3.679 0 50 HHAA O=C1C[C@@H](C(=O)Nc2ccnn2Cc2ccccc2C(F)(F)F)C2(CCCC2)O1 2100483573 FQANMBUDQKPBHV-HNNXBMFYSA-N 407.392 3.765 0 50 HHAA Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccn(-c2nccs2)n1 2325707365 YEVBZNNGNUFXGD-UHFFFAOYSA-N 413.322 3.509 0 50 HHAA Cc1cc(C2CCN(C(=O)C(=O)N3CCC(C)(C)[C@H](c4ccccc4)C3)CC2)on1 2325819167 XTIFDPDHZYCLQB-FQEVSTJZSA-N 409.530 3.731 0 50 HHAA O=C(NC[C@H]1CCCO1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 1212581 LVEVTVCLQBDHBX-SECBINFHSA-N 414.771 3.570 0 50 HHAA COc1cc(OC)c(CN2CCN(c3ccc(F)cc3)CC2)cc1Br 1227137 MWIAMPGAACPVDE-UHFFFAOYSA-N 409.299 3.928 0 50 HHAA CCCOc1ccccc1/C=c1/sc2nc(-c3ccc(OCC)cc3)nn2c1=O 2520498 RGBJHHUXZAFTIQ-XMHGGMMESA-N 407.495 3.553 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2C)c(OC)c1OC 5223337 ZNLOZQFWYMUGDC-HNNXBMFYSA-N 412.486 3.979 0 50 HHAA biogenic,in-vitro Cc1nc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)sc1C 9226136 KYEABYSNRASKHS-UHFFFAOYSA-N 402.549 3.800 0 50 HHAA Cc1ccc(CCC(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCc2cccc(C)n2)cc1 11785519 UAUMXXPPUONRHR-JOCHJYFZSA-N 405.542 3.576 0 50 HHAA COc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCN(CCc4ccccc4)C3)[nH]n2)cc1 11819101 SMQIVJQBFNDWOP-OAQYLSRUSA-N 418.541 3.864 0 50 HHAA O=C(NC[C@H]1CCC2(CCN(Cc3cccc4ccccc34)CC2)O1)C1CCOCC1 11872781 LWCJNYXWPVZGGZ-HSZRJFAPSA-N 422.569 3.896 0 50 HHAA CCN(CC)CC(=O)N1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1 12373136 RFPGYQCDLSVDRB-UHFFFAOYSA-N 405.542 3.583 0 50 HHAA O=C1N[C@H](c2cccs2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 12377907 FPEQHSJHBCNENB-LALPHHSUSA-N 404.797 3.505 0 50 HHAA O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 12433809 KZBOBIXDIQYDLH-HXUWFJFHSA-N 421.589 3.981 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CSc1ccncc1 12434833 XAMNLKDTWJCFAK-UHFFFAOYSA-N 401.551 3.726 0 50 HHAA CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccoc1)CC2 14541643 URPDNEGKYWYYCP-UHFFFAOYSA-N 424.545 3.562 0 50 HHAA CCOC(=O)c1nn(CC)c2c1CN(C(=O)[C@@H]1CCCc3c1[nH]c1ccccc31)CC2 14742649 MUCBNWZOFHRULP-QGZVFWFLSA-N 420.513 3.566 0 50 HHAA COc1cc(-c2c(OC)cccc2OC)cc2c1OCCN(C(=O)c1cccnc1)C2 14958370 NGAXBMAZPNFKOM-UHFFFAOYSA-N 420.465 3.809 0 50 HHAA CC[C@H](O)C1CCN(C(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)CC1 14960790 RMEMMCJYSNKROE-NRFANRHFSA-N 418.578 3.570 0 50 HHAA Cc1ccccc1-c1noc(CNC(=O)C2CCN(Cc3ccccc3F)CC2)n1 67613105 RDCJOZLRTKQCGR-UHFFFAOYSA-N 408.477 3.713 0 50 HHAA O=C(O)[C@@H]1CCCN([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 100058135 VWTJKXUNEWVTKH-MSOLQXFVSA-N 420.509 3.806 0 50 HHAA C[C@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc(C[C@@H]2CCCC2=O)cc1 225411784 JFSPMRQRQOMWKL-TZEULACYSA-N 418.537 3.509 0 50 HHAA biogenic COc1ccc(-c2nnc(SC[C@@H]3CC(F)(F)C(=O)O3)n2-c2ccccc2)cc1 252500298 SRRYORCMQQZCOQ-INIZCTEOSA-N 417.437 3.986 0 50 HHAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCc1ccc2c(c1)CCO2 409415174 WFVBMBLZTHGCIK-XZOQPEGZSA-N 414.590 3.684 0 50 HHAA biogenic CCc1csc(CNC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)n1 670468417 QVESCEYWTCALIX-UHFFFAOYSA-N 406.573 3.627 0 50 HHAA Fc1ccc2cnc(N3CCC(NCCN4CC[C@@H](c5ccccc5)C4)CC3)nc2c1 826607813 ZWLAMHSUYSFJMN-OAQYLSRUSA-N 419.548 3.817 0 50 HHAA O[C@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@@H]1Cc1ccnc2ccccc12 1615734628 HVPMGPWWRWAHQV-DFBJGRDBSA-N 405.517 3.878 0 50 HHAA O=C(N[C@@H]1CCc2nn[nH]c2C1)c1sc2cc(C(F)(F)F)ccc2c1Cl 1857530473 LVXFAKYILVWSNR-MRVPVSSYSA-N 400.813 3.979 0 50 HHAA C[C@@H](C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 1857531323 IAMBCSFKKGSRDN-OAHLLOKOSA-N 421.946 3.917 0 50 HHAA Cn1ncc(C(=O)N[C@@H](CO)c2ccc(F)c(C(F)(F)F)c2)c1Cc1ccccc1 1875357879 AGNCQJSQXVVZDG-SFHVURJKSA-N 421.394 3.632 0 50 HHAA Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)OCC(=O)c2ccc3c(c2)CCO3)c1 2325870674 JZPUDXNIJQYFGF-NRFANRHFSA-N 421.493 3.659 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4c(C)noc4C)C3)[C@@H]3CCCCN23)c1 2356159460 BDXMEQYTXMKHNY-VAPSRWTKSA-N 423.557 3.858 0 50 HHAA CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 686617 FGFYTOQYPABGJI-LBPRGKRZSA-N 403.533 3.705 0 50 HHAA CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc1OC 861053 FPKUOBAUAKOAKQ-NRFANRHFSA-N 410.470 3.508 0 50 HHAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1105839 LDDAUPMLZAFIRQ-NRFANRHFSA-N 420.444 3.869 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cccc(Cl)c2)cc1 1147008 MJZJTPSEMGMAKY-UHFFFAOYSA-N 422.934 3.556 0 50 HHAA COC(=O)COc1ccc2c(=O)c(Oc3cnn(-c4ccccc4)c3)c(C)oc2c1 2835543 MOCJQHTYKPKMQL-UHFFFAOYSA-N 406.394 3.631 0 50 HHAA CCc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@@H]2C1=O 3635196 ACCPTPOVBWUFJU-FPAXGFGJSA-N 423.468 3.884 0 50 HHAA CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1 3831258 PHPUXYRXPHEJDF-UHFFFAOYSA-N 401.418 3.824 0 50 HHAA in-man CC(=O)N(CC[C@](CCN1CCCCC1)(C(N)=O)c1ccccc1Cl)C(C)C 5442038 GTEPPJFJSNSNIH-QFIPXVFZSA-N 407.986 3.586 0 50 HHAA investigational CC(=O)c1ccc(-c2nnc(CCC(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)o2)s1 11932897 BXTWWPKVXOVMQN-OAHLLOKOSA-N 417.531 3.787 0 50 HHAA CSc1ncccc1C(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1 11997145 WUTOGZDUYSFTJU-UHFFFAOYSA-N 415.534 3.891 0 50 HHAA C/C=C(\C)CN1CCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)CC1 12191130 RJKDTSKGNWOJSD-MRJCOXNESA-N 410.543 3.589 0 50 HHAA Cc1ccccc1Cn1cc(C(=O)N2CCC(Oc3cccc(Cl)c3)CC2)nn1 12209564 JKNCHWCPOQOGMB-UHFFFAOYSA-N 410.905 3.972 0 50 HHAA Cc1ccccc1CCN1CCC(CN(C(=O)[C@@H](C)n2cncn2)C2CCCC2)CC1 12303751 VETLOEHAXNQMEE-OAQYLSRUSA-N 423.605 3.873 0 50 HHAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN([C@@H](C)CSC)CC1 12456659 QXAXZXFPJIVYHG-HNNXBMFYSA-N 403.552 3.924 0 50 HHAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccccc3C(F)(F)F)C2)nn1 14889077 XZXPWSPMDIWISF-INIZCTEOSA-N 409.456 3.616 0 50 HHAA O=C(NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1)C1CCCCC1 14982276 BBRYIAJUMXFYFW-LJQANCHMSA-N 414.575 3.794 0 50 HHAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCN1CCOCC1 20919434 OBUNXBCQMZCJTE-UHFFFAOYSA-N 412.484 3.548 0 50 HHAA O=C(Cc1ccccc1)Nc1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Cl 101087292 QTFQBJPWHLKKBR-VUEDXXQZSA-N 406.869 3.833 0 50 HHAA COc1ccc(CC(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)cc1OC 169754854 SQYDJIABCDWINP-UHFFFAOYSA-N 421.497 3.778 0 50 HHAA COc1ccc(CCc2nc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)no2)cc1 169769405 DSBRLHQKEZUWMP-HXUWFJFHSA-N 417.469 3.702 0 50 HHAA Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4sccc4C)ccn3n2)c1 169775783 WRJWMTFCMRLMEX-UHFFFAOYSA-N 406.511 3.580 0 50 HHAA Cc1cc2ccccc2n1CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 170672605 SGQOMVQKRRKECF-OAQYLSRUSA-N 419.481 3.668 0 50 HHAA O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCCN(Cc2ccccc2)C1 229686940 HBNNDWATDWCNGP-WOJBJXKFSA-N 413.512 3.820 0 50 HHAA COc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 239090993 HOMHFMIPIGNPOE-NGRIMYGSSA-N 414.461 3.505 0 50 HHAA Cc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 239386645 PVHOXEDDVYNHRL-FVJVTNMWSA-N 418.530 3.718 0 50 HHAA Cc1cc(I)cc(C(=O)NC[C@H](CCO)CC(C)C)c1C 482701799 ZIKXREPZJIGARV-CQSZACIVSA-N 403.304 3.683 0 50 HHAA CN(CCCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 486224415 SGPTZHGKPKVFFQ-UHFFFAOYSA-N 422.978 3.925 0 50 HHAA O=C(CCc1cscn1)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 486907017 BKPXZGQNSCKUAM-UHFFFAOYSA-N 400.422 3.796 0 50 HHAA COCCn1cnnc1CNC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc12 824464092 WQRJNYJNSUGKNJ-UHFFFAOYSA-N 421.888 3.723 0 50 HHAA Cc1cc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)ccc1N1CCOCC1 952987634 FWYCAQIIRSJWHF-HSZRJFAPSA-N 424.541 3.532 0 50 HHAA Cc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1 646683 JHONAAPETLFWPL-UHFFFAOYSA-N 404.392 3.821 0 50 HHAA COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)c1 862826 BSLJOPAGXOEIMS-GOSISDBHSA-N 401.850 3.624 0 50 HHAA CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 1125186 ZRHILFIMLPMVBH-UHFFFAOYSA-N 407.363 3.843 0 50 HHAA CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(CCc2ccc(Cl)cc2)C1=S 1185752 KBPCBLIHPDUKLT-SFHVURJKSA-N 415.946 3.729 0 50 HHAA O=C1OCC2=C1[C@H](c1ccc(F)cc1)CC(=O)N2c1cccc(Br)c1 1427872 SOMWRUSGCJDPBE-HNNXBMFYSA-N 402.219 3.920 0 50 HHAA CCn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C(=O)NC2CCCC2)n1 2730736 IPCSWLQXJZRYPE-DLBZAZTESA-N 400.910 3.971 0 50 HHAA O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1Sc1ncn[nH]1)c1ccccc1 4291982 DPCQZFNXDCJQFK-RBUKOAKNSA-N 408.508 3.825 0 50 HHAA CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1 4614159 LMJKBIGGFULITG-MRXNPFEDSA-N 407.333 3.939 0 50 HHAA Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2C)c1 4742770 UWGNJJRBOGKODJ-UHFFFAOYSA-N 409.511 3.738 0 50 HHAA COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Cl)cc1 5064626 USNPQYRAVHFJEO-KRWDZBQOSA-N 415.902 3.558 0 50 HHAA CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2c(F)cccc2Cl)CC(=O)N1 9560072 IMLCNRMATREJPD-ZDUSSCGKSA-N 417.820 3.829 0 50 HHAA CCn1cc(CN(CCOC)CC2CCN(Cc3ccccc3F)CC2)c(C)n1 11879245 IJHFTWGIADDJSV-UHFFFAOYSA-N 402.558 3.711 0 50 HHAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H]2CCCCN2C)C3)s1 11881520 YDVFMXIQRPAVIG-FUHWJXTLSA-N 416.518 3.661 0 50 HHAA Cc1ccc2[nH]cc(CCn3c(C)c4c(=O)n(-c5ccc(F)cc5)[nH]c4cc3=O)c2c1 12408251 LKHHWJXCMGMFOX-UHFFFAOYSA-N 416.456 3.960 0 50 HHAA CN(C)c1ncc(CN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 12467644 SGJAMJXECQHAMK-OAHLLOKOSA-N 422.545 3.796 0 50 HHAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC12CCN(C(=O)/C=C/c1cccs1)CC2 14884449 SCBFDNGWVUKRGD-YXMMZVCTSA-N 410.495 3.757 0 50 HHAA CN(Cc1ccc(F)c(F)c1)Cc1nnc(SCCOc2ccccc2)n1C 14975732 AJNVMZWGLZMOIK-UHFFFAOYSA-N 404.486 3.896 0 50 HHAA OCC[C@@H]1CN(Cc2ccc3cccc(F)c3n2)CCN1CCCc1ccccc1 20998360 XPRKJELSUPIVKB-HSZRJFAPSA-N 407.533 3.875 0 50 HHAA COc1ccc(C)cc1NC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O 67602018 NBLBNKJJIUQIFL-UHFFFAOYSA-N 413.477 3.943 0 50 HHAA COc1ccccc1CN(C)C(=O)CN1CCCN(c2ccccc2Cl)CC1 241961296 URFDUVCMOHCUIW-UHFFFAOYSA-N 401.938 3.519 0 50 HHAA CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 245246777 NHLQGJFFVXWCMB-JLGINSKQSA-N 401.441 3.596 0 50 HHAA Cc1ccccc1C(=O)NCCS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl 263639812 JVEGNQNOAGVWIV-UHFFFAOYSA-N 405.825 3.871 0 50 HHAA O=C1CC[C@](CCC(=O)N2CCC(OCc3ccccc3)CC2)(Cc2ccccc2)N1 299779164 SIYBTPIHGWXYSD-SANMLTNESA-N 420.553 3.866 0 50 HHAA Cc1nc(-c2cccc(C(=O)Nc3cccc(C(=O)N4CCC[C@H](O)C4)c3)c2)cs1 476373199 AXVYLUFMRTYMCR-FQEVSTJZSA-N 421.522 3.968 0 50 HHAA Cc1cc(C)c2c(c1)CN(C(=O)[C@@H]1CCCN(C(=O)c3ccc4n[nH]cc4c3)C1)CC2 485579386 LSWVVILIMWJMER-LJQANCHMSA-N 416.525 3.617 0 50 HHAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N(C)Cc2c(C)noc2C)cc1 1704311510 MRMBUYPRPSEGDV-UHFFFAOYSA-N 410.474 3.827 0 50 HHAA CN(C)C(=O)[C@@H](NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 1875265192 XQZCQTIPLPSDNS-SFHVURJKSA-N 404.432 3.974 0 50 HHAA Cc1cc(Br)c2cc(C(=O)N3CSC[C@H]3C(=O)N(C)C(C)C)[nH]c2c1 1875334830 GZBJNSMCPBHJCB-INIZCTEOSA-N 424.364 3.621 0 50 HHAA CCOC(=O)c1cc2sc(CN3CCc4c(cccc4C(N)=O)C3)cc2s1 2325824976 XVYDJBXNGQXRDJ-UHFFFAOYSA-N 400.525 3.797 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3n[nH]c4ccccc34)C2)c2cccc(=O)n21 2356145024 XLGBEEYOZLSIBV-STSQHVNTSA-N 418.541 3.890 0 50 HHAA COc1cc(C)c(S(=O)(=O)Nc2ccc(I)cc2)cc1C 644648 XCFYYTMSXIJBNJ-UHFFFAOYSA-N 417.268 3.717 0 50 HHAA CCN(CC)S(=O)(=O)c1cc(C)cc(S(=O)(=O)c2ccc(Cl)cc2)c1C 844928 XSDJMHAXHCBSIU-UHFFFAOYSA-N 415.964 3.820 0 50 HHAA Cc1ccc(N([C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 1064818 SSLHMKBAWOCKQQ-LJQANCHMSA-N 414.571 3.631 0 50 HHAA COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 1069510 ROIRQRLATULJHX-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA COc1ccccc1CCN1CCC(CN(C)Cc2nc3ccccc3n2C)CC1 11664197 ADARXOBYNRIPBP-UHFFFAOYSA-N 406.574 3.968 0 50 HHAA COc1ccc(/C=C/CN2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)cc1 12023008 DLVIKHXTOVHJAD-XAFBZQIESA-N 410.514 3.745 0 50 HHAA Cc1ccc(-n2cccn2)c(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c1 12076178 BWPSUWIZTOIOJT-LJQANCHMSA-N 406.505 3.962 0 50 HHAA COc1cccc(C(=O)N2CCC[C@@H]3CN(C(=O)/C=C/c4cccs4)CC[C@H]32)c1 12209024 VOMBHAIQGFIEPR-JTFJPCCOSA-N 410.539 3.923 0 50 HHAA CC(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1I 12382283 VJSPVBXTOUIIBM-UHFFFAOYSA-N 422.266 3.929 0 50 HHAA CSCC[C@H](C)N1CCC(Oc2ccc(C(=O)NCc3ccncc3)cc2)CC1 12460081 UJQGBVNQAVRPSD-SFHVURJKSA-N 413.587 3.996 0 50 HHAA COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2cccc(Cn3cccn3)c2)C1 12836172 HPIBVINRSIJSDE-HXUWFJFHSA-N 403.482 3.675 0 50 HHAA CCn1c(C(=O)OC)c(NC(C)=O)c2cc(N[C@H]3CCc4ccccc4C3)cnc21 14534875 KUEHDEMSBGUIPA-KRWDZBQOSA-N 406.486 3.771 0 50 HHAA COc1ccc(C2(C(=O)NCCc3nnc(SCC(C)C)n3C)CCCC2)cc1 14978944 UWUQQJGCRWBTRN-UHFFFAOYSA-N 416.591 3.743 0 50 HHAA COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@@H](CNC(=O)CSC)C3)cc1 14991185 ZBTBTXASGBWJEY-MRXNPFEDSA-N 405.903 3.576 0 50 HHAA Cc1ccccc1-c1cccc(CN2CCN(C3CCN(C)CC3)[C@@H](CCO)C2)c1 19339684 IPXJAGURLCJLLB-VWLOTQADSA-N 407.602 3.625 0 50 HHAA COc1ccccc1C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12 20419021 SEBRCLNOAMDVMI-UHFFFAOYSA-N 412.873 3.948 0 50 HHAA C[C@@H](CN1CC2(CCN(Cc3ccc(N(C)C)nc3)CC2)OC1=O)c1ccccc1 72453547 LXZABHDRWFNMGX-IBGZPJMESA-N 408.546 3.738 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO 104529204 GMPZRIQJPXMLQF-LJQANCHMSA-N 411.571 3.764 0 50 HHAA Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccccc3CS(C)(=O)=O)[nH]c2c1 139812778 MRBPFMIHLIKLGL-IBGZPJMESA-N 412.515 3.785 0 50 HHAA COc1cc(Br)c(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)cc1OC 230047419 PBZSMZXDEFVJDY-TZMCWYRMSA-N 418.353 3.810 0 50 HHAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 238924042 QMWLMGMUJVWGBJ-ZMSDIMECSA-N 416.370 3.794 0 50 HHAA COC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2C)cc1OC 253415734 UMGVVRIKLPMARM-UHFFFAOYSA-N 404.271 3.898 0 50 HHAA C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 261340537 RHCPKKNRWFXMAT-FPJVBILUSA-N 406.563 3.657 0 50 HHAA Cn1c(-c2ccc3c(c2)OCO3)cn(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N 334157552 LBKDMIXAESRPBJ-UHFFFAOYSA-N 404.253 3.891 0 50 HHAA COc1ccc2[nH]cc(CCNC(=O)[C@@H](C(C)C)N3Cc4ccccc4C3=O)c2c1 334161779 IDJNUCOSDLYMNB-JOCHJYFZSA-N 405.498 3.516 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)Cc3cccnc3)csc2C1 426528118 WFBILZKXVHVMSU-CQSZACIVSA-N 410.543 3.667 0 50 HHAA CCn1ccnc1[C@H]1CCCCN1C(=O)c1c[nH]c2ncc(Br)cc12 435981560 GUNKRXCBJPCSQJ-OAHLLOKOSA-N 402.296 3.909 0 50 HHAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 438377503 UZRBPOGZDKQPGQ-XAAXZKJJSA-N 400.522 3.504 0 50 HHAA C[C@@H](C(=O)NC1(Cc2ccccc2Br)CC1)N(C)C(=O)OC(C)(C)C 1468487977 NARVNEVQOUWNQJ-ZDUSSCGKSA-N 411.340 3.896 0 50 HHAA COCc1cc(=O)c(O)c(-c2[nH]c(-c3ccccc3O)nc2-c2ccc(OC)cc2)o1 1857526373 CWTLAFQQFOMKNQ-UHFFFAOYSA-N 420.421 3.930 0 50 HHAA Cc1csc(-c2nc([C@H]3CCCCN(C)C3=O)n(-c3ccc4nc(C)[nH]c4c3)n2)n1 1875348624 XBBMWWLKXDIVDR-OAHLLOKOSA-N 421.530 3.610 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ncccc4C)C3)[C@@H]3CCCCN23)c1 2356142959 OSSJELCADYKATH-KJBBBAAKSA-N 419.569 3.956 0 50 HHAA CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 943457 YORAADYWXYRSRM-LJQANCHMSA-N 408.454 3.511 0 50 HHAA COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)(C)C)cc3)C2)cc1OC 969361 OTKLFYWAWSWIGX-GOSISDBHSA-N 424.541 3.713 0 50 HHAA CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccs3)C2)c1 1053123 UBGCDCCBEBLSIW-INIZCTEOSA-N 415.496 3.704 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(NS(=O)(=O)c2ccccc2)cc1 1076778 BYIVRDOEGKKFNG-UHFFFAOYSA-N 410.451 3.511 0 50 HHAA Cc1cc(C)c(OCC(=O)N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)F)c(C)c1 1152064 DNZMMSZLQIWZJK-FQEVSTJZSA-N 406.404 3.878 0 50 HHAA CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc2ccccc2c1 5077440 UPFLTWBAJCNDHE-UHFFFAOYSA-N 412.555 3.545 0 50 HHAA Cc1nccn1CCC(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 11819898 CUHVTISGVSFEHT-HXUWFJFHSA-N 401.510 3.955 0 50 HHAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1OC 11842946 YMNRNSCDGQBGTR-MRXNPFEDSA-N 402.457 3.512 0 50 HHAA COc1ccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c(OC)c1OC 11843688 WZHHYVUZZVLARD-QHCPKHFHSA-N 403.494 3.669 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2cnn(C)c2C)C[C@@H]2CCCO2)CC1 11951322 FJMLSDSULQPWKT-VWLOTQADSA-N 410.606 3.930 0 50 HHAA COC(=O)c1ccc(CN2CCC(Oc3cccc(C(=O)N4CCCC4)c3)CC2)cc1 11958607 VXNPRJZJZLBVBD-UHFFFAOYSA-N 422.525 3.753 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(C(=O)Cc3cccs3)CC2)O1)C1CCCCC1 11965672 JTOSTABIHZEWLG-SFHVURJKSA-N 404.576 3.527 0 50 HHAA COc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1OC1CCN(C(C)=O)CC1 12206031 HGSSSKHGSWTSKS-OAQYLSRUSA-N 408.498 3.502 0 50 HHAA Cc1nc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)c[nH]1 12446769 PPYKAPTUZOOTHW-RUZDIDTESA-N 408.590 3.579 0 50 HHAA COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C(C)=O)c2ccccc21 22341179 INRWUTFSANKZBQ-PGAZUGQPSA-N 423.468 3.835 0 50 HHAA biogenic CCN(C[C@H]1CCCO1)C(=O)CN1Cc2ccccc2O[C@H](c2ccccc2OC)C1 39353918 ULUAOAVCPODDNL-YKSBVNFPSA-N 424.541 3.658 0 50 HHAA CC(C)(C)OC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O 98044028 QUOBISMBRGYPCV-HXUWFJFHSA-N 424.497 3.501 0 50 HHAA O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1CN(Cc1cccc(F)c1)C1CC1 110914645 GJRCGOWKQQVACS-HXUWFJFHSA-N 421.394 3.757 0 50 HHAA COc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 138102139 DMRCQKATQIAHDF-YTFSRNRJSA-N 414.461 3.742 0 50 HHAA COc1ccc(C(=O)C[C@@H](C)C(=O)OC[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 170617306 XNMTUYKQFSZDID-QUCCMNQESA-N 423.509 3.539 0 50 HHAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1(C)C 170636680 CNCPXSMWDWHNAH-RTBURBONSA-N 403.473 3.915 0 50 HHAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl 239119564 IVFPJHMLDGJCJE-DPDCMNJDSA-N 406.269 3.700 0 50 HHAA C[C@H](OC(=O)CCc1nc(-c2ccsc2)no1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 248140806 FMUDVGOAXTVZNX-KNCOVGOOSA-N 405.520 3.603 0 50 HHAA CCOC(=O)c1c(NC(=O)C[C@@H](C)c2ccc(OC)cc2)sc(C(=O)NC)c1C 427417160 XJBQOCMYLIYDRU-GFCCVEGCSA-N 418.515 3.734 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cccc(NC(=O)C(C)C)c2)CC1 1704298498 ICAGDMRBUHVDKR-UHFFFAOYSA-N 422.525 3.994 0 50 HHAA N=c1ccc(C(=O)N2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)c[nH]1 1857705139 USRNOXCYMCSWRI-JOCHJYFZSA-N 422.573 3.596 0 50 HHAA CCc1sc(-c2nnc(CN3CCC[C@H](C(=O)NCC(F)(F)F)C3)o2)cc1C 1875261003 YYPAQGSLAZVVHT-LBPRGKRZSA-N 416.469 3.559 0 50 HHAA O=C(NCCCCn1cc(-c2ccnc(F)c2)nn1)C(F)(F)/C=C/c1ccccc1 2325870836 RHCVYXPFBNUPSL-CSKARUKUSA-N 415.419 3.724 0 50 HHAA COc1ccccc1CNC(=O)c1cccc(C(=O)NCc2ccccc2OC)c1 663198 ZCOLVMJGHVEDSE-UHFFFAOYSA-N 404.466 3.564 0 50 HHAA biogenic O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(I)cc1 881425 HRKTYPKMOHONTP-UHFFFAOYSA-N 400.216 3.557 0 50 HHAA O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1cccs1 1128100 PHNXPNPKGXUOIE-UHFFFAOYSA-N 419.553 3.908 0 50 HHAA COc1cccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccccc2)c1 1140530 OQVWYTQIBILKMW-UHFFFAOYSA-N 416.543 3.730 0 50 HHAA COCCNC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 3005159 DFCBLKXQAYZOCT-UHFFFAOYSA-N 400.442 3.522 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1)c1cccnc1 4748894 AGXZFKDQLOISIS-UHFFFAOYSA-N 411.527 3.581 0 50 HHAA O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697969 MPYYUYNZWBFGLT-UHFFFAOYSA-N 409.881 3.623 0 50 HHAA COc1cccc(-c2cc(CC3(O)CCN(CCCn4nc(C)cc4C)CC3)on2)c1 11953410 SUNBJIQXHQHGSO-UHFFFAOYSA-N 424.545 3.623 0 50 HHAA COc1cccc(N2C[C@@H]3C[C@@H](c4cc(O)c5ccccc5n4)N4CCC[C@@]34C2=O)c1 12299623 NFBSEFGNRWPFQS-PMHROOCVSA-N 415.493 3.891 0 50 HHAA O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCCC[C@H]1CCO 12430452 YHLDMBHCMCBNSK-QFIPXVFZSA-N 423.557 3.502 0 50 HHAA COC(=O)[C@@H](CCSC)NC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 12433283 VQTTZDIKRCSNGO-CYBMUJFWSA-N 423.947 3.741 0 50 HHAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 12761856 ARJXEOGDCCPKPV-QGZVFWFLSA-N 418.490 3.552 0 50 HHAA Cc1cccc(CN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)c1 14746107 BFOGZZBCJLJBNI-OAQYLSRUSA-N 402.542 3.589 0 50 HHAA Cc1cccc(-c2cccc(C(=O)N3CCC(=O)N(CCN4CCCCC4)CC3)c2)c1 14993599 XOINFHUEXFGXBC-UHFFFAOYSA-N 419.569 3.822 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3cc(C)cc(C)c3)n2)ccc1C 16650416 AJVUYKJMWDVQNZ-UHFFFAOYSA-N 418.497 3.823 0 50 HHAA O=C(NCCc1ccccc1)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 17042562 XJCWKKSELRYYGR-UHFFFAOYSA-N 409.555 3.908 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2cccc(SC)c2)C[C@@H]1CCO 19839683 KPWANDUGASRJNJ-NRFANRHFSA-N 400.588 3.876 0 50 HHAA Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 21795213 SJYAAPPAOFZVPA-UHFFFAOYSA-N 408.550 3.746 0 50 HHAA Cc1ncc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)[nH]1 67920716 BTUATNRNENWUIG-QFIPXVFZSA-N 400.542 3.750 0 50 HHAA COc1ccc(C(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)cc1OC 169754861 GAIZIQJZAYIOFB-UHFFFAOYSA-N 407.470 3.849 0 50 HHAA COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 170629025 YXAJIHDEMYCKBQ-QGZVFWFLSA-N 410.514 3.618 0 50 HHAA C[C@H]1CN(c2ccc(NC(=O)N3CCC[C@@H](N4CCCC4)C3)cc2F)C[C@@H](C)O1 229828377 WQTKMQITCGZKGF-ZIFCJYIRSA-N 404.530 3.531 0 50 HHAA COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(F)c(Cl)c3)C2)cc1OC 241657634 PXXGMSGOHHOJEO-MRXNPFEDSA-N 412.870 3.607 0 50 HHAA CCSCC[C@H](C)NC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 253392900 KIEJMCBWYRWEAP-JKSUJKDBSA-N 424.611 3.796 0 50 HHAA O=C(c1cc(Cl)c[nH]1)N1CCN(C(=O)c2cc3c(ccc4ccccc43)[nH]2)CC1 1875254226 PTTJRIBPHKZWAI-UHFFFAOYSA-N 406.873 3.901 0 50 HHAA CCC(=O)N[C@H](C(=O)N1CC(Cc2ccccc2C(F)(F)F)C1)c1ccccc1 1875264960 JXFVYFQWVLGYOB-FQEVSTJZSA-N 404.432 3.974 0 50 HHAA CCOc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)cc1 687600 PBELVMRVXCJRAT-UHFFFAOYSA-N 412.515 3.832 0 50 HHAA COc1ccc(OC)c(C(=O)c2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c1 720802 ZHJLILUIFUJCCY-UHFFFAOYSA-N 424.541 3.974 0 50 HHAA CCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 946320 OIDPZCZQIMQKKP-UHFFFAOYSA-N 405.237 3.952 0 50 HHAA COC(=O)c1ccc(Nc2ncnc3ccc(I)cc23)cc1 955109 DHCIMSKWROMNQI-UHFFFAOYSA-N 405.195 3.765 0 50 HHAA CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc(Br)c1OCC 1113425 LBHRKAOYZLLPOW-LCYFTJDESA-N 413.337 3.666 0 50 HHAA COc1ccc(-n2c3c(cc(C(=O)N4CCCCC4)c2=O)C(=O)CC(C)(C)C3)cc1 1133345 CEONMGZLBHUPNY-UHFFFAOYSA-N 408.498 3.627 0 50 HHAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3n2)cc1 2486658 AVXCTAKHTFWYNB-MRXNPFEDSA-N 411.456 3.563 0 50 HHAA CC(C)(C)OC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2560715 VZXQYACYLGRQJU-LJQANCHMSA-N 411.454 3.710 0 50 HHAA biogenic,in-vitro COc1ccccc1NC(=O)CSc1nnc(NC(=O)c2ccc(C)cc2)s1 2997982 WNQDZRQBBXHQEB-UHFFFAOYSA-N 414.512 3.838 0 50 HHAA O=C(N/C(=C\c1ccco1)C(=O)N1CCCCC1)c1cccc(Br)c1 4652690 WRTMIKIIZMZTOB-LGMDPLHJSA-N 403.276 3.826 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1C 11697540 RZPGVXRLEJLMRS-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@@H]2CCCCN2C)C3)c1 11995946 LWHZBPGVISUMPF-CVDCTZTESA-N 424.516 3.908 0 50 HHAA Cc1cccc(CC(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c1 11996785 WURZXSHMUGCFGQ-UHFFFAOYSA-N 420.488 3.989 0 50 HHAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2cccs2)O3)cc1 12041535 XBEWCSNANWFSOK-QGZVFWFLSA-N 413.520 3.552 0 50 HHAA CCn1ccnc1CN(C)Cc1cccc(OC[C@H](O)CN(C)C2CCCCC2)c1 12317226 FUVAZCXFLTZYNF-JOCHJYFZSA-N 414.594 3.539 0 50 HHAA CN(CC[C@@H]1CCCCO1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12387471 XZNMHCHBUPELGJ-SFHVURJKSA-N 410.518 3.686 0 50 HHAA CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1 14882298 MUDAPYIUTYQDKX-UHFFFAOYSA-N 423.605 3.699 0 50 HHAA O=C1CCCN1CC(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 14950552 MJMWSZWVEMTHAM-UHFFFAOYSA-N 401.466 3.516 0 50 HHAA CN(C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC2CCN(C3CCCC3)CC2)C1 15061517 MHFWVJQEXHEIIO-IBGZPJMESA-N 419.997 3.902 0 50 HHAA CCc1nccn1CCC(=O)NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1 19113188 AJVNJJAOXSQIQE-QHCPKHFHSA-N 418.541 3.588 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(SC)cc3)CC2)c(OC)c1OC 19361438 OLGZSFZFCNJVRR-UHFFFAOYSA-N 402.560 3.752 0 50 HHAA COc1ccccc1-n1c(=O)n(Cc2ccccc2C)c(=O)c2c(C)cc(C)nc21 20418668 DHFDCVYATSDLJI-UHFFFAOYSA-N 401.466 3.530 0 50 HHAA CN(CCC(C)(C)O)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77355140 LSCYDEOBTHFQAQ-UHFFFAOYSA-N 413.562 3.951 0 50 HHAA CCN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@@H](C)c1ccc(F)cc1 165012956 RFJWEHPPJXCHNK-ZDUSSCGKSA-N 414.449 3.844 0 50 HHAA O=C(c1ccc2[nH]cnc2c1)N1CCCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 169753030 LUQNIRANLNYPQQ-UHFFFAOYSA-N 420.904 3.959 0 50 HHAA COc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 169754680 RBRGFZJRWLSXOS-KRWDZBQOSA-N 409.442 3.740 0 50 HHAA CC(=O)Nc1cccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)no2)c1 169769302 IIROTTVWIHKPOF-LJQANCHMSA-N 416.441 3.533 0 50 HHAA CCC(CC)N(C(=O)Cn1c(=O)cnc2ccccc21)[C@H]1CCCc2cccnc21 170617615 QTZCMIKJQGGCFD-NRFANRHFSA-N 404.514 3.886 0 50 HHAA COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 170623909 QXZAHKCMQGPTDD-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA COc1ccc(CC[C@@H](C)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O 225424983 KOLIAGFBCDOCRP-ACJLOTCBSA-N 406.885 3.910 0 50 HHAA O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCOc2c(Br)cccc21 225709949 RBMJKJQUWTYBEG-BBRMVZONSA-N 401.260 3.515 0 50 HHAA CCOC1CC(CNCc2cc(-c3ccccc3)ccc2OC)(N2CCOCC2)C1 444004222 LIIYGKUMEVOOCQ-UHFFFAOYSA-N 410.558 3.722 0 50 HHAA Cc1ccnc(-n2nccc2NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c1 484939738 RCOGURYBLRYZNO-UHFFFAOYSA-N 419.876 3.940 0 50 HHAA COCCC(=O)N1C[C@@H]2CN(CCSC(C)C)C[C@@]2(CCc2ccccc2)C1 1772710888 UBVDRLIXYJJMBR-GMAHTHKFSA-N 404.620 3.558 0 50 HHAA Cc1nccc(CN2CCCC(=O)N3CCCC[C@H]3CCc3cccc(c3)OCC2)n1 1857702437 BETXZLMISUINGG-QHCPKHFHSA-N 422.573 3.774 0 50 HHAA Cc1ccc2nc(-c3cccc(Br)c3)cc(C(=O)Nn3cnnc3)c2c1 1073578 ZJPDYYQUXMXISP-UHFFFAOYSA-N 408.259 3.948 0 50 HHAA COc1ccc(OC)c(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)c1 2875344 FXHQJIIPZLGGQS-UHFFFAOYSA-N 417.259 3.872 0 50 HHAA CSc1nnc2c(n1)O[C@@H](c1ccc(OC(C)=O)cc1)N(C(C)=O)c1ccccc1-2 2977924 NMWLHNRGORMMPA-FQEVSTJZSA-N 422.466 3.630 0 50 HHAA O=C(Nc1ccc(Br)cc1)[C@@H]1CC=CC[C@H]1C(=O)OC[C@@H]1CCCO1 3995489 VWJCKJXYRBQCHE-GVDBMIGSSA-N 408.292 3.692 0 50 HHAA CC(=O)Nc1cccc(S(=O)(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c1 11668156 SAIBFFVETUBDLS-HXUWFJFHSA-N 401.532 3.527 0 50 HHAA Cc1cc(C)n(-c2cccc(C(=O)N3CCC(=O)N(Cc4cccc(F)c4)CC3)c2)n1 11814638 NDCBFSHUKQLFIN-UHFFFAOYSA-N 420.488 3.503 0 50 HHAA O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12757713 LZLUJFLUVHQBFI-QGZVFWFLSA-N 422.422 3.942 0 50 HHAA Cc1cccc2c(NCc3ccccc3F)nc(CNS(=O)(=O)C(C)C)nc12 14959894 LVBLMDITUANJKZ-UHFFFAOYSA-N 402.495 3.517 0 50 HHAA COc1cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)ccc1O 17887548 LSKSXWZFRKMWNC-UHFFFAOYSA-N 414.498 3.633 0 50 HHAA COc1cccc(CN2CCN(Cc3cc(Br)ccc3OC)CC2)c1 19361754 QXMYRMIQABXXEA-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA COc1ccc(CN2CCN(Cc3cc(Br)ccc3OC)CC2)cc1 19831693 LDLWKQDWMTWIMP-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA Cc1cccn2c(CN3CCN(c4ccccc4)CC3)c(C(=O)N3CCCCC3)nc12 20201904 LZVLVVGIYCMFGN-UHFFFAOYSA-N 417.557 3.591 0 50 HHAA CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1OCC 44018872 NUIKTBLZSPQGCP-LJQANCHMSA-N 409.486 3.770 0 50 HHAA in-vitro CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N[C@@H](C)C3CC3)nc2c1=O 72418542 KVZJUQYPAHEHBJ-HNNXBMFYSA-N 408.477 3.797 0 50 HHAA Cc1ccc(Cn2c(C3CCN(C(=O)c4ccccc4Cl)CC3)n[nH]c2=O)cc1 169777231 ZGJHTXDLWGATOE-UHFFFAOYSA-N 410.905 3.601 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)CCc4ccccc4)C3)[nH]n2)cc1 169780783 YNSDVRVCUUHQBR-FQEVSTJZSA-N 404.514 3.803 0 50 HHAA O=C(CSCCc1ccccc1)Nc1ccc(O)cc1I 225434398 ZVUBUBCTBRVOOJ-UHFFFAOYSA-N 413.280 3.911 0 50 HHAA O=C(Cc1ccc(OC(F)F)cc1)N[C@@H](CCO)c1ccccc1Br 225571510 ZTVDQLDLFOAHCO-INIZCTEOSA-N 414.246 3.833 0 50 HHAA CCC(CC)(NC(=O)c1cn(Cc2noc(C)n2)nn1)c1ccc(Cl)c(Cl)c1 426460450 OUVZJCFQMDAZDT-UHFFFAOYSA-N 423.304 3.770 0 50 HHAA COCc1cccc2sc(NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)nc12 439870199 GAGSHUWTOBRVPN-UHFFFAOYSA-N 404.513 3.957 0 50 HHAA COc1cc(NC(=O)N2CCN(c3ccncc3)[C@H](C)C2)ccc1Br 1310380224 VNJWFCKOSSROQE-CYBMUJFWSA-N 405.296 3.595 0 50 HHAA O=C(NCc1ccc(Oc2ccccc2)nc1)[C@H]1CCCCN1Cc1ccncc1 1318462292 DWJNINUKCYDRTG-JOCHJYFZSA-N 402.498 3.940 0 50 HHAA Cc1onc(-c2c(Cl)cccc2Cl)c1CN1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772701485 PMIWSTRIATUMLC-BLVKFPJESA-N 411.285 3.880 0 50 HHAA OCC[C@H](Nc1ncnc(-c2cccc(F)c2)n1)c1ccccc1Br 1857529942 JRDQTRQXZPGPBX-INIZCTEOSA-N 403.255 3.976 0 50 HHAA CCOC[C@@H](NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875345280 UJCPMWDAVNTVBN-MRXNPFEDSA-N 401.394 3.554 0 50 HHAA CCCN1C(=O)[C@@]2(CCN(C(=O)c3ccc(-c4cnco4)cc3)C2)c2ccccc21 2100557674 YTACDQODLSTONL-XMMPIXPASA-N 401.466 3.882 0 50 HHAA Cc1ccc(-c2cnc(NC(=O)Cc3csc(S[C@H](C)C(N)=O)n3)s2)cc1 2325852574 LICDUESIXJZQCU-LLVKDONJSA-N 418.569 3.722 0 50 HHAA N[C@@H](CCNC(=O)NC1CCN(c2ccc(Cl)cc2)CC1)Cc1ccccc1 2325866568 PWJVHOIAWLPBBU-IBGZPJMESA-N 400.954 3.568 0 50 HHAA O=C(NCCCCn1cc([C@@H]2CCCC[C@@H]2O)nn1)C(F)(F)/C=C/c1ccccc1 2325870933 VGMJOTAEYKRJTE-ZLQXRBMWSA-N 418.488 3.542 0 50 HHAA O=C(Nc1ccccc1C(=O)O)c1cccc(C(=O)Nc2ccccc2C(=O)O)c1 758691 RBWLNPUCKIHUDH-UHFFFAOYSA-N 404.378 3.588 0 50 HHAA biogenic O=C(NCc1ccc2c(c1)OCO2)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 815267 WADQUDODXNFUKM-UHFFFAOYSA-N 422.391 3.993 0 50 HHAA CCOc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 1149205 JQMDSICZHXXTME-OAHLLOKOSA-N 401.846 3.518 0 50 HHAA O=C1[C@H](Oc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1C[C@@H]1CCCO1 1441859 VGOXVPURXGSVDR-FFZOFVMBSA-N 401.846 3.579 0 50 HHAA CCn1c2ccccc2c2nnc(SCC(=O)Nc3nnc(C(C)C)s3)nc21 2189908 LWWKSTCQSLGGTG-UHFFFAOYSA-N 413.532 3.705 0 50 HHAA Cc1ccc(Cl)c(OCn2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)n2)c1 2797808 WBWUFYJTUKRGIC-UHFFFAOYSA-N 404.942 3.920 0 50 HHAA O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1cccs1 2843738 VBEQCCTVFWKIOX-UHFFFAOYSA-N 407.520 3.856 0 50 HHAA CCOc1cc(Cl)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1Cl 4384884 KOCNFZBSJAJMIP-UHFFFAOYSA-N 404.271 3.599 0 50 HHAA CCOC(=O)[C@]1(CCc2ccccc2)CCCN(Cc2ccccc2OCCO)C1 11843121 LGOMANUODBUGRC-VWLOTQADSA-N 411.542 3.836 0 50 HHAA O=C1NC(=O)[C@@](CCc2ccccc2)(C2CCN(C/C=C/c3ccccc3)CC2)N1 11910307 QCOVLLBPBLGVAZ-VISBSAOHSA-N 403.526 3.623 0 50 HHAA CC(C)n1cc(C(=O)N[C@@H](C)c2ccco2)c(=O)c(C(=O)N(C)C2CCCCC2)c1 12036307 GIWFKXHMLKMUQI-INIZCTEOSA-N 413.518 3.918 0 50 HHAA O=C(CC[C@H]1CCCN(C2CCSCC2)C1)N1CCN(Cc2ccccc2)CC1 12053092 YUTXLIBAZWRYQA-JOCHJYFZSA-N 415.647 3.719 0 50 HHAA Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3c(=O)[nH]cnc32)cc1 12462135 WPRHUQPOKXGIGA-UHFFFAOYSA-N 419.510 3.765 0 50 HHAA biogenic,in-vitro COCCNC(=O)c1ccc(OC)cc1OC1CCN(CCCC2CCCC2)CC1 12465530 IUXNAZPFOMIZAZ-UHFFFAOYSA-N 418.578 3.885 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccc(Cl)cc2)c1=O 14986704 ZZRODEDNBFFDPA-UHFFFAOYSA-N 417.937 3.741 0 50 HHAA O=S(=O)(c1ccc(Cl)c2ccccc12)N1CCN(Cc2ccccc2)CC1 19808882 NDDZSXQMPLMXBR-UHFFFAOYSA-N 400.931 4.000 0 50 HHAA COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1Cl 19897189 FFZOPGYIMIHFIC-UHFFFAOYSA-N 415.342 3.509 0 50 HHAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCN(CCCO)CC1 72457775 WEBZRUNTHOSKKA-UHFFFAOYSA-N 407.514 3.942 0 50 HHAA CC(C)c1noc(-c2cccn3c(CNC(=O)c4cc(F)ccc4Cl)nnc23)n1 169775936 BTFMHBCZFHWXRC-UHFFFAOYSA-N 414.828 3.625 0 50 HHAA CCc1cnc(CNC(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3F)n2)o1 170600495 PTLAGGVEJWOJSP-CMDGGOBGSA-N 414.462 3.847 0 50 HHAA Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@](C)(CN)C3CC3)cc12 237635324 GBYPSHXGKGLZJI-HXUWFJFHSA-N 402.951 3.965 0 50 HHAA COc1cc(-c2noc(CN(C(C)C)[C@@H]3CCCC[C@H]3O)n2)ccc1OC(F)F 252477334 MFWWLKNNZOSBRR-HUUCEWRRSA-N 411.449 3.861 0 50 HHAA CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@@H]2C1=O 253387468 OEUDITAJWLGFIL-DEKCZCQOSA-N 414.505 3.943 0 50 HHAA COc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(OC)cc3)OC4)n2)cc1 263617807 PSLLPEOAZZGVSQ-FQEVSTJZSA-N 404.426 3.889 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(OCC)cc4)ccn3n2)cc1 263619615 ZPAUKMGCFMPGHZ-QHCPKHFHSA-N 419.481 3.694 0 50 HHAA O=C1CC[C@@H](C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)n2cccc21 426945685 OXPVYJNXWXBZKY-QFIPXVFZSA-N 411.465 3.951 0 50 HHAA C[C@@H]1C(=O)Nc2cc(C(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3)ccc2N1C 426949159 SJXGXZUZHUVTOT-GDBMZVCRSA-N 412.921 3.516 0 50 HHAA COCC1(O)CCN(C(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)CC1 485198056 ZQNOSVADZXAJNC-UHFFFAOYSA-N 406.914 3.654 0 50 HHAA CC(=O)c1c(C)nn(CC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)c1C 952861213 YFLQKVWYEMMZPL-HXUWFJFHSA-N 416.953 3.699 0 50 HHAA Cc1cc(NC(=O)CCCc2nc(-c3ccncc3)no2)ccc1N1CCCC1=O 952989862 PPLXHXRTFFMCEJ-UHFFFAOYSA-N 405.458 3.528 0 50 HHAA Cc1c(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cnn1-c1ccccn1 1506399741 DFUSFEWBHUVIRJ-SFHVURJKSA-N 400.442 3.603 0 50 HHAA O=C(O)c1c(NC[C@H]2CC(=O)N(C3CCCC3)C2)noc1-c1ccc(Cl)cc1 1704315600 LSJFNZAEUWJJPM-GFCCVEGCSA-N 403.866 3.896 0 50 HHAA CSCc1nnc2sc(-c3cc(I)ccc3Cl)nn12 1775972095 FHUKZVUIPXXNPW-UHFFFAOYSA-N 422.704 3.974 0 50 HHAA COCc1nc(N2Cc3nc(C)nc(O)c3C2)c2c(-c3ccccc3)csc2n1 1857527634 YLBZZXOUFPGZTQ-UHFFFAOYSA-N 405.483 3.829 0 50 HHAA Cc1cn(Cc2ccccc2)[nH]c1=NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 1875336827 NPAQJUUMKFCHAI-HXUWFJFHSA-N 410.905 3.921 0 50 HHAA O=C(N=c1nc(-c2ccccc2C(F)(F)F)[nH]s1)N[C@@H]1CC[C@@H]2[C@H]1C2(F)F 1875342015 UGEDZBBIEFQCME-GMTAPVOTSA-N 404.364 3.811 0 50 HHAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4c(C)nn(C)c4C)c3n2)cc1 815339 BPMYHWOIFOGTBQ-UHFFFAOYSA-N 424.455 3.923 0 50 HHAA COc1ccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 835335 HLFZGAPMWHEHSJ-UHFFFAOYSA-N 410.495 3.914 0 50 HHAA CCOc1cc(OCC)c(/C=C2/C(=O)N(CC)C(=S)N2C)cc1Br 1114704 HVXFWWIROBNGFY-LCYFTJDESA-N 413.337 3.666 0 50 HHAA COC(=O)c1ccccc1NC(=O)Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1 1121463 KPYAHFSAEVJRBC-UHFFFAOYSA-N 419.363 3.776 0 50 HHAA CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2cc1OS(C)(=O)=O 2149373 CUJHNEAIYPWQMW-UHFFFAOYSA-N 416.451 3.522 0 50 HHAA biogenic c1cnc(-n2cccc2CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)nc1 11840334 KBWBWPLIROVYAH-XMMPIXPASA-N 423.605 3.903 0 50 HHAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCc4ccccn4)C3)C2)c1OC 11933411 WTQYFIMKLDVEAT-RUZDIDTESA-N 423.557 3.546 0 50 HHAA CC(=O)c1ccc(C(=O)N2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)s1 12135914 IEIYHRAMIOMYFY-UHFFFAOYSA-N 424.444 3.844 0 50 HHAA CN(Cc1cccs1)Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1 12209290 SLBLZWGNMXUOHW-QGZVFWFLSA-N 415.588 3.838 0 50 HHAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)C2CCOCC2)CC1 12304227 CDGMTSWNGSKFNX-DEOSSOPVSA-N 414.590 3.641 0 50 HHAA CCn1cc(C(=O)N2CCSC[C@@H]2c2ccc(OC)cc2)c(=O)c2ccc(C)nc21 12409098 OEFWONBTOMKTMP-HXUWFJFHSA-N 423.538 3.664 0 50 HHAA CC[C@@H]1CCCCN1Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 15067245 ABLSGFLPCIFIAL-SCKYHZLTSA-N 411.590 3.942 0 50 HHAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 15078346 WRZGLTKZVPPUAJ-XXIDSNJLSA-N 412.505 3.755 0 50 HHAA Cc1c(CN[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(=O)n(-c2ccccc2)n1C 20472438 DHPXLLJFSCFCJR-NRFANRHFSA-N 424.976 3.892 0 50 HHAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N[C@H](C)C3CC3)nc2c1=O 72418543 KVZJUQYPAHEHBJ-OAHLLOKOSA-N 408.477 3.797 0 50 HHAA CCN(C(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1)c1ccccc1 101272118 UTMBIBPNLCYUTB-PZBISTMVSA-N 404.466 3.815 0 50 HHAA CCc1csc([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CC(C)(C)CC4=O)C2)n1 170626430 BYYULRZTFDAOPH-ZDUSSCGKSA-N 413.543 3.569 0 50 HHAA O=C(NCCCn1cccn1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 247449907 ZMYDFFRDBPOHCT-DBVUQKKJSA-N 414.937 3.516 0 50 HHAA Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)c2cc(Br)ccc2n1 431215695 HFXVGTLTKUPKIT-OAHLLOKOSA-N 403.276 3.633 0 50 HHAA CCN1C(=O)CO[C@H](C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)[C@H]1c1ccccc1 496952777 XXIKDRRKNDOXIA-QIJUGHKUSA-N 412.917 3.645 0 50 HHAA COC(=O)c1ccc([C@@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4c3c2cn4C)cc1 888089328 VSDPUQJIQJUWOP-FQEVSTJZSA-N 415.449 3.815 0 50 HHAA COc1ccc([C@H](C(=O)O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1 1506431720 WQFHAUFULGXBAB-HXUWFJFHSA-N 416.905 3.503 0 50 HHAA O=C(c1ccc(F)cc1)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857699953 FXOAQUOIFNCEML-HSZRJFAPSA-N 404.445 3.504 0 50 HHAA COC(=O)[C@H](c1ccccc1)N(C)C(=O)CSCCOc1ccc(Cl)cc1 1875259352 LFJLAHFURPFNNU-IBGZPJMESA-N 407.919 3.825 0 50 HHAA COCc1nc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)n[nH]1 1875332234 OKLPQUFVXQFTOQ-FQEVSTJZSA-N 416.485 3.862 0 50 HHAA CC1(C)CN(c2cncc(OCCCO)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 2325746458 LOKAQDBSYXLMJQ-INIZCTEOSA-N 411.424 3.613 0 50 HHAA Cc1cc([C@@H](C)NC(=O)C(C)(C)Oc2cccc(-c3nc(=O)o[nH]3)c2)c(C)s1 2325849993 IMRPMMGRLUUFNU-GFCCVEGCSA-N 401.488 3.743 0 50 HHAA COc1ccc(NS(=O)(=O)c2cc(-c3n[nH]c(=O)c4ccccc34)ccc2C)cc1 902556 XTQZCXJOZGLPLG-UHFFFAOYSA-N 421.478 3.708 0 50 HHAA Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)cc1Cl 1065621 JBHYKPBPJZEQGV-UHFFFAOYSA-N 403.306 3.952 0 50 HHAA Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O 1112396 PXEVRVAROBKSHB-UHFFFAOYSA-N 405.278 3.846 0 50 HHAA COc1ccc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)c(OC)c1 1179397 RFMBZYJTWPYDRN-UHFFFAOYSA-N 402.922 3.886 0 50 HHAA C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2850594 BVHXPAFRZLTIAH-CQSZACIVSA-N 407.283 3.704 0 50 HHAA COc1ccc(-c2noc(CNC(=O)c3c(Cl)cccc3Cl)n2)cc1OC 4943812 LYBGIPCBKPNBEG-UHFFFAOYSA-N 408.241 3.991 0 50 HHAA Cc1c(C(=O)NCc2cccc(F)c2)sc2ncnc(NC[C@@H]3CCCO3)c12 12028271 KJHQVOCVNAPNAO-HNNXBMFYSA-N 400.479 3.660 0 50 HHAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cc(Cl)cc(Cl)c1OC 19300841 HLGBTZQNTUSGKQ-MRXNPFEDSA-N 414.285 3.973 0 50 HHAA C[C@H](C(=O)N1CCCC1)n1c(=O)c(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)nc2ccccc21 239672828 BVMWBOJXYQFNFH-GAKIBJFNSA-N 422.573 3.985 0 50 HHAA C[C@H](Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1)C(=O)c1ccccc1 245227717 MBZQPGVSSILVKD-JQKDNIJSSA-N 413.473 3.894 0 50 HHAA COc1ccc(C(=O)N[C@@H]2CCC[C@@H](CN(C)Cc3nccs3)C2)c(OC)c1 2100539401 GXBJJOKHVJXTSQ-HZPDHXFCSA-N 403.548 3.581 0 50 HHAA CC(C)(C)OC(=O)N1CCCN1Cc1ccc(OCCn2ccnc2)c(Cl)c1 2325736151 GOECUPFRARJBJC-UHFFFAOYSA-N 406.914 3.973 0 50 HHAA CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 2871668 OKNROUASRYZMOA-UHFFFAOYSA-N 410.923 3.606 0 50 HHAA COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1 6717217 DEEOXSOLTLIWMG-UHFFFAOYSA-N 417.513 3.526 0 50 HHAA in-vitro CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)CC1 11662983 IUUBWZAPFHIWSH-GOSISDBHSA-N 402.535 3.828 0 50 HHAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 11944332 UKELSBLQMIQFQW-IBGZPJMESA-N 408.473 3.536 0 50 HHAA CCc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)N2CCN(Cc3ccccc3)CC2)o1 11972229 AQYBESSAIORXBH-XMMPIXPASA-N 421.585 3.789 0 50 HHAA Cn1ccnc1CN1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12307345 GEYFVWKYAXRBHP-HXUWFJFHSA-N 400.486 3.567 0 50 HHAA COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)/C=C/c3cccs3)C2)cc1 12330992 UCMCJOZQLOGFPX-MIYJXHNBSA-N 424.566 3.852 0 50 HHAA Cc1noc([C@H]2CCCN2C(=O)c2cc(-c3cncnc3)nc3c(C)cccc23)n1 63882087 BLZGHYUSMFHVHF-LJQANCHMSA-N 400.442 3.669 0 50 HHAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nc(C)n2)n1 65365380 DHQHVZHLWBTMHW-UHFFFAOYSA-N 419.533 3.559 0 50 HHAA C[C@H](OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)C(=O)c1ccccc1 197192143 PYKLEAOUFHGXMI-DZOXSVECSA-N 417.461 3.650 0 50 HHAA O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1cnn(-c2ccccc2F)c1 225446840 XNPQVNRWKOWRTL-GGAORHGYSA-N 411.452 3.654 0 50 HHAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1ccccc1OC(F)(F)F 263617957 QPXMXHSKWZNZCT-UHFFFAOYSA-N 415.371 3.602 0 50 HHAA Cc1cc(CN(C)C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)ccn1 426690372 YKVZYSBJNXPGPJ-UHFFFAOYSA-N 410.543 3.887 0 50 HHAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c1 1529187618 WJSZKLLFRZYXOE-CEXWTWQISA-N 400.563 3.991 0 50 HHAA C[C@H](NC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1)c1ccc(OCC(N)=O)cc1 1875261011 FBSLLFIBPWPXBG-LPHOPBHVSA-N 420.513 3.682 0 50 HHAA Brc1nc(Cc2nc(-c3cc[nH]n3)nn2Cc2cccs2)cs1 1875341454 UFYVVLHEULQZSG-UHFFFAOYSA-N 407.322 3.588 0 50 HHAA COc1ccc2c(c1)CCC[C@H]2NC(=O)c1c(OCc2ccccc2)c(=O)ccn1C 1940197137 UIBHXFOLRLBUHK-OAQYLSRUSA-N 418.493 3.780 0 50 HHAA C=CC(=O)Nc1cccc(C(=O)N2CCc3c(Br)cc(F)cc3C2)c1 2325888911 KSNYNUWCBXDXLR-UHFFFAOYSA-N 403.251 3.911 0 50 HHAA COc1ccc(CCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC 795468 GATHMCLYZHNDDY-UHFFFAOYSA-N 416.949 3.928 0 50 HHAA CCn1ncc(S(=O)(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c1C 2804736 RBCXLGOJBZLRAN-UHFFFAOYSA-N 414.318 3.564 0 50 HHAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 2883069 VEGVXTQRQJZNTP-OAHLLOKOSA-N 422.934 3.696 0 50 HHAA CC1=NN(C(=O)CSCc2ccc(Br)cc2)[C@@](O)(C(F)(F)F)C1 6394816 IFBNTGAVYVIAKR-ZDUSSCGKSA-N 411.243 3.541 0 50 HHAA COc1ccc(OCc2cc(C(=O)N3CCC(N4CCCC4)CC3)no2)c(Cl)c1 11720274 IACIDIIYGIOIQX-UHFFFAOYSA-N 419.909 3.616 0 50 HHAA CN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1nccn1C 11936032 IAEAMAUOWVKCRQ-UHFFFAOYSA-N 415.497 3.693 0 50 HHAA CSCCCNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C 12132372 XPBPJAXRNKDNJN-UHFFFAOYSA-N 401.561 3.799 0 50 HHAA Cc1c(C(=O)N(C)[C@@H]2CCOC2)sc2ncnc(NCc3cccc(F)c3)c12 12244595 WVLHMGYOYXPZHD-OAHLLOKOSA-N 400.479 3.612 0 50 HHAA COc1cccc(-n2c(CN(C)Cc3cnn(C)c3C)nnc2SCC(C)C)c1 12451487 BRGCQZCCZJYICK-UHFFFAOYSA-N 414.579 3.698 0 50 HHAA CN(CCOc1ccccc1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12718745 AJKLHPIXZSNBQQ-UHFFFAOYSA-N 418.497 3.806 0 50 HHAA Cc1cc(CN2CCC(Oc3cccc(C(=O)NCc4ccccc4)c3)CC2)n[nH]1 15064301 CNFINKXJSQCEGT-UHFFFAOYSA-N 404.514 3.692 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(Cc2cccc3nccnc23)C1 15068892 PCRNTDYZUZIJQI-HXUWFJFHSA-N 417.557 3.718 0 50 HHAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(C)[C@@H](C)c2ccon2)CC1 15074531 VPTLWJCYGIFUSS-ZDUSSCGKSA-N 405.882 3.551 0 50 HHAA OCc1ccc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 20386103 VKYYEWBBFFOSJA-IBGZPJMESA-N 423.479 3.577 0 50 HHAA CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 20472367 DFWQNXWNDGXGCY-UHFFFAOYSA-N 416.587 3.889 0 50 HHAA CCn1cc(S(=O)(=O)N(Cc2ccn(CC)n2)c2ccc(C(C)C)cc2)cn1 20614249 MUFOKBCZBAIGHZ-UHFFFAOYSA-N 401.536 3.638 0 50 HHAA C[C@@H]1CCO[P@@](=O)([C@@H](NS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 22014865 GVCVGXDNHLVKFU-QRRAURDBSA-N 422.654 3.680 0 50 HHAA O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(Cl)cc1Cl 22590358 MKNMKDADJVGSGX-UHFFFAOYSA-N 419.312 3.928 0 50 HHAA CN(Cc1ccno1)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77537197 IHRJEVJFBBIEGC-UHFFFAOYSA-N 408.502 3.978 0 50 HHAA CC(C)NS(=O)(=O)c1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2C(C)C 82161716 VIRAANUECXXRDM-UHFFFAOYSA-N 401.488 3.700 0 50 HHAA CCCS(=O)(=O)N1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 95520956 MVIZBMSRBVLRQX-AWEZNQCLSA-N 402.944 3.519 0 50 HHAA O=C(N[C@@H]1CC[C@H](C(=O)Nc2cccc(N3CCOCC3)c2)C1)OCc1ccccc1 170595291 DFJLSAJDNMMBBF-PZJWPPBQSA-N 423.513 3.557 0 50 HHAA COC(=O)c1nc(NC(=O)Cc2ccc3c(c2)OCC3)sc1-c1ccccc1OC 170625108 XISMFSCCYPQVEG-UHFFFAOYSA-N 424.478 3.721 0 50 HHAA CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2[C@H](CC)c2ccccc2)C1 252475132 UEEXERHIKLQSMH-HBMCJLEFSA-N 406.592 3.623 0 50 HHAA O=C(CN[C@@H]1Cc2cccc(O)c2C1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 429321795 FVYIRQNXFGYMQF-HXUWFJFHSA-N 424.504 3.940 0 50 HHAA O=C(N[C@@H]1COc2c(F)cc(F)cc2C1)N[C@@]1(C(F)(F)F)CCc2ccccc21 1311273874 VALAZIHQFSJZAO-LIRRHRJNSA-N 412.358 3.972 0 50 HHAA O=C(c1ccc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)nc1)N1CCCC1 1704338047 KBWBHCMTXUBMFR-DENIHFKCSA-N 402.498 3.535 0 50 HHAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CC[C@]2(CNC(=O)CO2)C1 1772818120 MLOSLGBTPZRTMG-DEOSSOPVSA-N 406.482 3.508 0 50 HHAA COCCn1nc(C2CCCC2)nc1C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857675123 LLIWDHWFTLCXBF-INIZCTEOSA-N 410.522 3.577 0 50 HHAA CN(C)C1(CNC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)CCCC1 1857710266 OEAJIBKRTXUWNN-OAHLLOKOSA-N 404.942 3.688 0 50 HHAA C[C@@H](NS(=O)(=O)c1cnc2ccc(F)cc2c1)c1ccc(NC(=O)C2CC2)cc1 2325725412 MSELZXFKSDIEGT-CYBMUJFWSA-N 413.474 3.762 0 50 HHAA CCOc1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 816846 NYJBLKKJMOBKLE-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA COc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc(Br)c1OC 1058991 WHKFHZXTRNODHY-LLVKDONJSA-N 420.259 3.712 0 50 HHAA COC(=O)C1=CN([C@H](C)c2ccccc2)C=C(C(=O)OC)C1c1cccc(OC)c1 1170875 WBHCAPDDBWMMAG-MRXNPFEDSA-N 407.466 3.969 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc2c(cc1Cl)OCO2 1184877 HRYRQDYUTGJGGZ-SFHVURJKSA-N 416.886 3.562 0 50 HHAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cnn(C)c4C)c3n2)cc1 2341883 IOSMMYJUGMOWRO-UHFFFAOYSA-N 412.400 3.637 0 50 HHAA Cc1nn(C(=O)c2ccccc2I)c(C)c1Br 4492576 RTXBWDBQOQVWNR-UHFFFAOYSA-N 405.033 3.556 0 50 HHAA COc1cccc(OCc2cccc(C(=O)N3N=C(C)C[C@]3(O)C(F)(F)F)c2)c1 6395131 SRVSAJTWYMHBCK-IBGZPJMESA-N 408.376 3.747 0 50 HHAA COC[C@@H](C)Oc1cccc(CN(C2CC2)S(=O)(=O)c2ccc(F)cc2F)c1 12155441 AJWMCOAFCUSAKU-CQSZACIVSA-N 411.470 3.732 0 50 HHAA CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN(Cc1cc3ccccc3[nH]1)CC2 14746070 AYESUOSLDGCARV-UHFFFAOYSA-N 419.451 3.577 0 50 HHAA COc1ccc(C[C@]2(CCC(=O)NCc3ccc(Cl)s3)CCC(=O)N2)cc1 15002219 MLCYWLLUNUVQPY-FQEVSTJZSA-N 406.935 3.698 0 50 HHAA Cc1nc2cc(OCc3cc(C(=O)N(C)CC4CCOCC4)no3)ccc2s1 15065779 YWXVCWFTKWWZDB-UHFFFAOYSA-N 401.488 3.670 0 50 HHAA O=C1C[C@@H](N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(F)cc1 18190637 AWFJIZUVENTZOL-GOSISDBHSA-N 409.486 3.947 0 50 HHAA CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)n1nc(-c2cc(C)ccc2C)ccc1=O 20095622 GSKIRQAZDDUDPS-OAQYLSRUSA-N 419.481 3.904 0 50 HHAA COC1CCN(C(=O)CCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)CC1 23478793 PCBYTRKNEVESEP-HSZRJFAPSA-N 412.505 3.789 0 50 HHAA CN(C)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1c(F)cccc1F 52596166 MUUSEBXQKKFKGO-YJYMSZOUSA-N 416.497 3.665 0 50 HHAA Cc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4)CC3)n2)c1 67614219 PZPSNVKGXJXABE-UHFFFAOYSA-N 404.514 3.916 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(C)c(F)c4)C3)[nH]n2)cc1 169753667 VMKIGOMEBJPVTN-GOSISDBHSA-N 408.477 3.932 0 50 HHAA C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)c1c(F)cccc1Cl 170631608 KCGQJVCIOMTBPJ-BXUZGUMPSA-N 400.878 3.969 0 50 HHAA COc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c(C)cc1C 225543204 SZTHHZHVWWKHMV-UHFFFAOYSA-N 408.951 3.785 0 50 HHAA CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl 253416642 XQKWLHKGNHNKJZ-MPGHIAIKSA-N 401.309 3.622 0 50 HHAA CCOc1ccccc1N1CCN(C(=O)[C@@]23C[C@@H]4C[C@@](CC)(C2)C[C@](O)(C4)C3)CC1 823395410 QPHURWNPFKDCHT-YUSVDLJSSA-N 412.574 3.845 0 50 HHAA COc1cc(CCC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)ccc1C 1529168015 VKCIXDPOKCWNHR-OFNKIYASSA-N 404.510 3.858 0 50 HHAA COc1ccc2cc(-c3nccn3C3CCN(C[C@H]4CCCO4)CC3)c(O)nc2c1 1857699066 GNBPCYXIOVNFEY-LJQANCHMSA-N 408.502 3.628 0 50 HHAA Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1 1875328245 HRFOSUWXGBCEET-UHFFFAOYSA-N 401.875 3.533 0 50 HHAA C[C@H]1CN(Cc2cccc(CNC(=O)c3cnn(-c4ccccc4F)c3)c2)C[C@@H](C)O1 2325717959 UFDJWMYDMFQOTD-HDICACEKSA-N 422.504 3.551 0 50 HHAA O=C(c1c(O)cccc1O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1ccccc1 2356141712 MOPYCNSMEPPUHI-ANULTFPQSA-N 406.526 3.656 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1cccc(Cl)c1 786729 OOPJFUDMBKPOFM-UHFFFAOYSA-N 417.712 3.507 0 50 HHAA Cc1cccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1C 1152715 YJYMDDSGYWCZSJ-UHFFFAOYSA-N 415.342 3.693 0 50 HHAA O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1 5090856 IJPUCDYAXYAKQX-UHFFFAOYSA-N 410.326 3.957 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@@H]1CC12CCC2 11718204 HNWTXLHBXNUEPS-NRFANRHFSA-N 400.563 3.572 0 50 HHAA COc1ccc2[nH]c(CN3CCC(CCC(=O)NC[C@@H]4CCCO4)CC3)c(C)c2c1 11844285 FWAVOAPJCXICKG-FQEVSTJZSA-N 413.562 3.772 0 50 HHAA O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 12755065 VAZLHZAFMINZAC-QHCPKHFHSA-N 409.574 3.705 0 50 HHAA O=C(NCCCN1CCC[C@@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 14963083 LYVQFBNDVGHBEM-OAQYLSRUSA-N 421.541 3.580 0 50 HHAA COC(=O)c1cc(NS(=O)(=O)c2ccc(Br)s2)ccc1Cl 16345355 QBQDJZKCWBHXSE-UHFFFAOYSA-N 410.698 3.751 0 50 HHAA Cc1cc(=O)oc2cc(NC(=S)NNC(=S)Nc3ccc(F)cc3F)ccc12 16345859 AGMBUTWBOLKSBX-UHFFFAOYSA-N 420.466 3.568 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 20821166 MLLKSGHPZNWZPF-IBGZPJMESA-N 413.537 3.923 0 50 HHAA Cc1nc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc(-n2ccnc2)n1 36705828 DJCNRBGOZXMQJK-UHFFFAOYSA-N 414.425 3.695 0 50 HHAA O=S(=O)(c1ccccc1)n1c(I)cc2c(Cl)ccnc21 40448699 QOYGFOVKGYRFHN-UHFFFAOYSA-N 418.643 3.531 0 50 HHAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(c1nc(C(N)=O)cs1)C2 67805861 AYAAMXJZDWEXCQ-UHFFFAOYSA-N 401.513 3.687 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H](O)c2cccc(F)c2)cc1 109226679 YVPBPQTYBLVUHS-NRFANRHFSA-N 408.429 3.550 0 50 HHAA COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4cc(F)ccc4Cl)C3)[nH]n2)cc1 169759536 PYVVTNNNZLZWKK-OAHLLOKOSA-N 414.868 3.887 0 50 HHAA CCCc1noc(-c2cccn3c(CNC(=O)[C@H](CC)c4ccccc4)nnc23)n1 169776047 NEEZNUPHNUTREX-MRXNPFEDSA-N 404.474 3.542 0 50 HHAA COc1ccccc1N1CC[C@H](C)N(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1 170597646 SGRLJARPOLPRDR-DFQSSKMNSA-N 422.525 3.697 0 50 HHAA C[C@H]1CN(C[C@H]2CCCN2C(=O)/C=C/c2ccc(Br)s2)C[C@@H](C)O1 230146294 SYXJJCPLCGFMTF-QEBBVAKMSA-N 413.381 3.624 0 50 HHAA CC(C)c1ccc(N2C(=O)[C@@H](CC(=O)NCCc3c[nH]c4ccccc34)N=C2O)cc1 252551399 UEKLQXWIZUKFCP-OAQYLSRUSA-N 418.497 3.670 0 50 HHAA Cc1cc(NC(=O)CN[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)n(C(C)(C)C)n1 253417381 SBSQIYPSGJBGMP-URLQWDBASA-N 421.586 3.509 0 50 HHAA COc1ccc(N2C[C@H](C(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)CC2=O)cc1 409415140 UYHSWGJPPXJSAK-VFNWGFHPSA-N 403.482 3.723 0 50 HHAA CC(C)c1cc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)n(-c2ncccn2)n1 474834017 OYJLMVBRPAOQEG-FQEVSTJZSA-N 419.533 3.744 0 50 HHAA Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(Cl)cc(C(F)(F)F)c3)cc12 479564809 HSIRXRMCVCPINH-UHFFFAOYSA-N 404.801 3.750 0 50 HHAA C[C@@H](NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1)c1cccc(O)c1 1478424859 PFIBFNLWDLOREW-CQSZACIVSA-N 421.419 3.526 0 50 HHAA Cc1ccccc1SC1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CC1 1506413304 IQPJKXBMVDBMNJ-IBGZPJMESA-N 409.555 3.522 0 50 HHAA O=C1CC[C@@H](CN(Cc2cccnc2)C(=O)c2cccc(Oc3ccccc3)c2)N1 1506417451 JBDDHNHQNNUFLH-FQEVSTJZSA-N 401.466 3.795 0 50 HHAA COc1cccc([C@H](CNC(=O)c2c(C3CC3)nc3sccn23)N2CCCC2)c1 1875264428 MMVDBIFMWXXIQJ-SFHVURJKSA-N 410.543 3.849 0 50 HHAA Oc1nc2cc(F)ccc2cc1Cn1cc(-c2ccc([C@@H](O)C(F)(F)F)cc2)nn1 2325860625 NWWHZPXPXKHKGZ-GOSISDBHSA-N 418.350 3.982 0 50 HHAA O=C(Nc1nnc(CCS(=O)(=O)c2ccc3ccccc3c2)s1)c1ccccc1 866172 JHNMPWQZQRVOIC-UHFFFAOYSA-N 423.519 3.960 0 50 HHAA C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 1093654 OGAVNWQOHIZJAB-HNNXBMFYSA-N 406.935 3.618 0 50 HHAA CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NCc1ccco1 1176341 NTPAORNCQMSIPK-NRFANRHFSA-N 419.481 3.603 0 50 HHAA COc1ccc(CNC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1 1425585 SQKLATTUDXXMRR-UHFFFAOYSA-N 418.243 3.503 0 50 HHAA COc1ccc([C@@H]2C(=O)N(CCc3ccccc3)CC(=O)N2C2CCCCC2)cc1 3039786 MVGUQUVPZOSVAQ-XMMPIXPASA-N 406.526 3.983 0 50 HHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)[C@@H]1Cc3ccccc3O1)O2 11788799 ARBPLWCGPWLODI-CPJSRVTESA-N 413.473 3.980 0 50 HHAA O=C1CCC2(CCN(Cc3ccc4nsnc4c3)CC2)N1Cc1ccccc1F 12100242 WGHHQZBXDSPWCV-UHFFFAOYSA-N 410.518 3.988 0 50 HHAA COc1cc(C[C@]2(CCC(=O)N[C@H]3CCCc4ccccc43)CCC(=O)N2)ccc1F 14965117 KCEWKDGSVUALEE-OFVILXPXSA-N 424.516 4.000 0 50 HHAA O=C(c1ccc(N2CCC(NC3CCOCC3)CC2)cc1)N1CCc2ccccc2C1 15001874 VHGVXGPJSAEHSX-UHFFFAOYSA-N 419.569 3.623 0 50 HHAA CCN(Cc1cn(C)nc1-c1ccccc1)CC1CCN(C2CCN(C)CC2)CC1 20542418 BBHBFMBVGGHACH-UHFFFAOYSA-N 409.622 3.715 0 50 HHAA Cc1cc(C)nc(N2CCN(c3cc(C)nc4c(-c5ccc(F)cc5)cnn34)CC2)n1 21798959 HJSCOGAKMNTEJE-UHFFFAOYSA-N 417.492 3.577 0 50 HHAA O=C(c1cccnc1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55196161 OJEDSTWMEGMDFZ-FQEVSTJZSA-N 418.463 3.527 0 50 HHAA COCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1 82157116 NNTZNZDLKVOKFE-JOCHJYFZSA-N 414.505 3.787 0 50 HHAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 239212626 TVIODBURJSOHHS-MOXQZVSFSA-N 413.477 3.678 0 50 HHAA CCc1ccc(N(C(C)=O)c2nc(Cn3cnc(Br)n3)cs2)cc1 240444271 FXDJRDRMQMJHFB-UHFFFAOYSA-N 406.309 3.792 0 50 HHAA Cc1cc(C[C@@H](C)NC(=O)NC[C@H](c2ccco2)N2CCCC2)n(-c2ccccc2)n1 448117038 UQOLBFBXCGRYIS-XMSQKQJNSA-N 421.545 3.841 0 50 HHAA Cc1ccc(CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)c(Oc2ccccc2)c1 849558298 MQZOIBMCJVUULD-GOTSBHOMSA-N 418.541 3.873 0 50 HHAA COCCc1noc([C@@H]2CCCCN2C(=O)CCc2nc3ccccc3s2)n1 952985895 IODGVBNIUFEWBF-HNNXBMFYSA-N 400.504 3.555 0 50 HHAA CC(=O)N1C[C@H]2CN(C(=O)c3sccc3Cl)C[C@]2(CCc2ccccc2)C1 1772705629 YGOMDBFFDGAOMR-UWJYYQICSA-N 402.947 3.955 0 50 HHAA CNC(=O)CN(Cc1ccc(C)cc1SC)C(=O)c1ncsc1C(F)(F)F 1875387886 CKVOPZDXDHILCX-UHFFFAOYSA-N 417.478 3.581 0 50 HHAA CCCn1nc(CC(C)C)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2100547703 NCDJIEOERXJQJG-YADHBBJMSA-N 412.534 3.699 0 50 HHAA CN(CCCN(C)C(=O)c1ccnc2ccsc12)C(=O)c1cncc(Cl)c1 2325822933 XEOJYKOEEGVRPV-UHFFFAOYSA-N 402.907 3.579 0 50 HHAA N[C@@H](CCNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)Cc1ccccc1 2325866215 DNMJBMNLMXRYHC-NRFANRHFSA-N 414.981 3.564 0 50 HHAA CCc1c(C(=O)OCc2nc3ccc(Cl)nc3[nH]2)nnn1-c1cccc(Cl)c1 2325870503 ABSHNUARLHSXPM-UHFFFAOYSA-N 417.256 3.765 0 50 HHAA CC(C)N1CCN(C)C(=O)[C@]2(CC=CCC[C@@H](c3ccccc3)C1=O)CCCNC2 2325894002 IPCIVHJKRUGNIY-WIOPSUGQSA-N 411.590 3.576 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 717178 SOSZKEGVLDZGGF-UHFFFAOYSA-N 423.538 3.955 0 50 HHAA O=C1[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 1194633 XJWQXTYMUUIGLZ-NFJKTXFASA-N 415.876 3.883 0 50 HHAA O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCCCCC1 2877554 BDENGVKAASGFEH-UHFFFAOYSA-N 422.934 3.922 0 50 HHAA O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 4749346 DCKQXTJWCYBPJR-INIZCTEOSA-N 423.479 3.535 0 50 HHAA Cc1c(C)n(CCCO)c2ncn3nc(-c4ccccc4Br)nc3c12 9306320 QARDGBATXDSLGM-UHFFFAOYSA-N 400.280 3.508 0 50 HHAA CCOC(=O)N1CCC(NC(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)CC1 12111763 WFBZOYSOKIRXGX-UHFFFAOYSA-N 411.433 3.985 0 50 HHAA CCCC[C@@H]1CN(CCNC(=O)CCc2c(C)nn(C)c2C)Cc2ccccc2O1 12148982 QWCRRBFJDMFHTA-OAQYLSRUSA-N 412.578 3.539 0 50 HHAA CCOc1cccc(CN2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)c1 12302444 WXJZEYLYZUGOCA-LJQANCHMSA-N 412.530 3.745 0 50 HHAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cc(C(C)C)[nH]n2)CC1 12316591 UWDFPQHTJBXZME-UHFFFAOYSA-N 422.533 3.828 0 50 HHAA COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)/C=C/c1cccc(F)c1 12454349 BCIDXCRCMVKKSB-WIVVLVHASA-N 400.837 3.517 0 50 HHAA CC[C@@H](O)C1CCN(C(=O)c2cc(COc3ccc(OC)cc3Cl)on2)CC1 12584388 GHEAEOQRFAFQHT-GOSISDBHSA-N 408.882 3.539 0 50 HHAA CC(C)Oc1cccc2c1c(NC(=O)CN1CCCC1=O)nn2-c1cccc(F)c1 77375972 MXPFURFWGWYFQB-UHFFFAOYSA-N 410.449 3.513 0 50 HHAA CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc21 113856093 COGVKGIGAMIWEN-UHFFFAOYSA-N 415.497 3.985 0 50 HHAA COc1ccccc1CCC(=O)N[C@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169753576 LRYOCJLMQAVZLN-FQEVSTJZSA-N 422.504 3.942 0 50 HHAA Cc1oc(S(N)(=O)=O)cc1-c1nc(-c2ccccc2OCc2ccccc2)no1 225405029 GJFAYCYBGVFARO-UHFFFAOYSA-N 411.439 3.531 0 50 HHAA Cc1cc(NC(=O)[C@H](C)SCC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)no1 239527578 ATEYFAHIIHBALZ-HACGYAERSA-N 417.531 3.951 0 50 HHAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)Nc1cccc2ncccc12 252536224 HXDRTYYCUULMKP-GOSISDBHSA-N 408.845 3.542 0 50 HHAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 438377508 UZRBPOGZDKQPGQ-XDBZLDIHSA-N 400.522 3.504 0 50 HHAA O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 476298607 VUIAPNJNWAQVSB-HXUWFJFHSA-N 419.481 3.510 0 50 HHAA O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)Nc1ccc(Oc2cccnc2)nc1 785890214 MYSGZNHPSGTERC-QGZVFWFLSA-N 402.813 3.917 0 50 HHAA CCc1nc2cc(NC(=O)CCCn3cnc4ccccc4c3=O)ccc2n1CC 952982931 RTEZQDMBNDOMEO-UHFFFAOYSA-N 403.486 3.747 0 50 HHAA CC(C)c1nnsc1C(=O)Nc1cc(F)c(F)cc1I 1456969377 FAPXGRLCVNZQAO-UHFFFAOYSA-N 409.199 3.797 0 50 HHAA c1ccc(-c2nccn2-c2ccc3c(c2)COC3)c(OCCCN2CCOCC2)c1 1772814566 HXOHKJHLMBEAHV-UHFFFAOYSA-N 405.498 3.671 0 50 HHAA COCCCOc1ccnc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1 2325822931 XEEPNYAMCRBURZ-UHFFFAOYSA-N 404.894 3.834 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC1)OCC2 2356170818 MUOBUUJQBQFCJL-UHFFFAOYSA-N 420.509 3.526 0 50 HHAA COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCc2ccccc2)cc(Cl)c1O 885756 SISFEVBSXFQDLW-SFHVURJKSA-N 416.861 3.768 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(Cl)cc2)cc1 1108717 ZHLCYVIAIBXVPT-UHFFFAOYSA-N 415.902 3.877 0 50 HHAA Cc1c(NC(=O)/C=C/c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 1214965 XVCPEPODYMYHGI-JLHYYAGUSA-N 412.287 3.899 0 50 HHAA C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 2993090 WFCGXDBQBSVWJL-INIZCTEOSA-N 400.434 3.889 0 50 HHAA Cc1c([C@@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)cnn1-c1cccc(F)c1 11662446 SERNPSIGSOTVFS-MRXNPFEDSA-N 408.477 3.647 0 50 HHAA O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 12002813 VAXIVGWIPSMWAR-HSZRJFAPSA-N 409.574 3.506 0 50 HHAA C[C@@]1(C2CCN(Cc3ccc(F)cc3F)CC2)NC(=O)N(Cc2ccsc2)C1=O 12034872 CAARTPJLZAEQLS-NRFANRHFSA-N 419.497 3.749 0 50 HHAA Cc1ccc2c(C)nc(N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)nc2c1 12199026 UTMKXHLRECZYLW-SFHVURJKSA-N 418.497 3.508 0 50 HHAA COc1cc(CNCc2cccc3[nH]ccc23)ccc1OC[C@@H](O)CN(C)C(C)C 12579808 BOUHGHFJLYJJQQ-FQEVSTJZSA-N 411.546 3.546 0 50 HHAA CC(C)(C)c1ccc(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 12864027 SHBMBUQGAVWUKW-UHFFFAOYSA-N 408.514 3.769 0 50 HHAA CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1CN[C@@H](C)c1nccs1 14997317 PMJDHFYTJBKSLP-LBPRGKRZSA-N 413.528 3.966 0 50 HHAA O=C(CCc1nnc(COc2ccccc2)o1)NCc1cc(-c2ccccc2)on1 19146441 TZBMPMXCULMBJN-UHFFFAOYSA-N 404.426 3.553 0 50 HHAA CCN1CCN(C(=O)CCC2CCN(C(=O)c3[nH]c4ccc(C)cc4c3C)CC2)CC1 20782414 HYVUGOSGGUSPCJ-UHFFFAOYSA-N 424.589 3.581 0 50 HHAA C[C@H]1CCCN1C(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 72481174 VGSPJHSHHBHQDN-AWEZNQCLSA-N 410.905 3.851 0 50 HHAA CC(C)Cn1c(CC2(CC(=O)N(C)C3CCNCC3)CCCC2)nc2cccnc21 77437974 XOZYUCLWIDIRFV-UHFFFAOYSA-N 411.594 3.791 0 50 HHAA CCN1c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2C(=O)N2CCCCC[C@@H]21 169766288 DDDCKMRWDPAHLH-JOCHJYFZSA-N 421.497 3.528 0 50 HHAA COc1cccc([C@@H](NC(=O)c2ccc3c(c2)NC(=O)CS3)c2ccccn2)c1 170598002 PMNVGFYUOZVTKB-OAQYLSRUSA-N 405.479 3.654 0 50 HHAA CC(=O)Nc1cccc(CNc2ncc(Cn3cc(Br)cn3)s2)c1 170601989 WMLSCNIJCDVINE-UHFFFAOYSA-N 406.309 3.721 0 50 HHAA C[C@@H]1Cc2ccccc2N1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 229969187 DZWRYJCKNJVQPZ-ACJLOTCBSA-N 403.404 3.744 0 50 HHAA C[C@@H]1[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)CN2CCSC2=O)CCC[C@H]1C 239637144 BJCLWTNHQJYYQU-VYDXJSESSA-N 404.532 3.737 0 50 HHAA O=C1N(CN2CCc3ccccc3C2)c2ccccc2[C@]12O[C@H]1CCCCC[C@H]1O2 252430648 BVZPIBXMSLWZEV-FVRPBGSPSA-N 404.510 3.950 0 50 HHAA CC1=CC(C)(C)N(C(=O)CN2CCN(c3ccccc3)CC2)c2cc3c(cc21)OCO3 334161400 ZFIRVYVQSMJOEH-UHFFFAOYSA-N 419.525 3.766 0 50 HHAA CCN(Cc1cccnc1)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426407509 ILGCDMRWJKLCDH-UHFFFAOYSA-N 410.543 3.969 0 50 HHAA Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 426684419 ZMFYSIZBYHLLDL-YFBXQHAESA-N 405.498 3.663 0 50 HHAA CC1(C)CCc2ccccc2[C@H](NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 442968671 SVQMJSUSPPCKQK-DVECYGJZSA-N 405.498 3.575 0 50 HHAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cnc4ccccc4c3)C2)cc1 499519661 RADOIHQWQCGKLU-IBGZPJMESA-N 409.555 3.734 0 50 HHAA Cc1nnc2n[nH]c(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)c2c1C 808064051 NLWUMRYRQPQPKD-GOSISDBHSA-N 413.437 3.676 0 50 HHAA CC(=O)c1c(C)nn(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)c1C 952861201 YFLQKVWYEMMZPL-FQEVSTJZSA-N 416.953 3.699 0 50 HHAA C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)Nc1nnc(Cc2ccccc2F)s1 1215259037 ZZHKMIDGMJSPGF-GFCCVEGCSA-N 411.462 3.643 0 50 HHAA COc1ccc2cc([C@H](C(=O)O)N3CCC(N4C[C@H](C)O[C@H](C)C4)CC3)ccc2c1 1506417744 OQFGCNYRNQQPDL-SAHWJRBASA-N 412.530 3.548 0 50 HHAA CCOc1cc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)ccc1OCC=C(C)C 1704340428 IHZOCPPGWZJQFY-DNQXCXABSA-N 402.579 3.709 0 50 HHAA Cc1cccc(C2=CC(=C(O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)N=N2)c1O 2082945823 LVEVQYWPKYGXCH-CQSZACIVSA-N 415.471 3.517 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)cs3)CC2)cc1 643268 FBMCTRUVJQNSQN-UHFFFAOYSA-N 405.570 3.691 0 50 HHAA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NCc1ccc(Cl)cc1 826492 STLSMIZLKDLKAT-UHFFFAOYSA-N 410.621 3.943 0 50 HHAA Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)c(C)c1 1072973 AEQZVCFTHFLFSH-UHFFFAOYSA-N 410.923 3.661 0 50 HHAA Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccncc2)cc1 1113393 NUJHYCQANVUHDX-UHFFFAOYSA-N 405.483 3.639 0 50 HHAA Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 1196209 RCWFWNYUBFNRRX-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA C[C@@]1(O)N(CCC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)OC12CCCCC2 1425307 LHOOIKDYLYOGIS-KRWDZBQOSA-N 400.397 3.898 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1 4414887 VPBGRDKHYWLFED-UHFFFAOYSA-N 423.542 3.532 0 50 HHAA CN(c1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 6140659 DELYBQCSKRGGQL-UHFFFAOYSA-N 401.875 3.812 0 50 HHAA Cn1ncc(Cl)c1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCCCC2 6790347 DUTKTFAKXXKEAH-UHFFFAOYSA-N 406.939 3.939 0 50 HHAA CCCc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2CC(C)C)s1 9304439 YVGWGGVHKXUSKO-UHFFFAOYSA-N 417.564 3.531 0 50 HHAA Cc1nnc(SCC(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)o1 11753626 QQYYECIHGWLZEE-ZDUSSCGKSA-N 413.421 3.610 0 50 HHAA COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)CCc4cnn(C)c4)C3)ccc2c1 11879070 AUIDFNWAWMJFEY-OAQYLSRUSA-N 405.498 3.636 0 50 HHAA C[C@H]1CN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C[C@@H](C)O1 11956269 YDIMPALDONSTFX-GASCZTMLSA-N 403.910 3.761 0 50 HHAA CC(C)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 14747695 CPJNXUFMJMLBSV-UHFFFAOYSA-N 405.542 3.937 0 50 HHAA O=C(NCCCN1CCOCC1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 19227452 KJXIYCQUVRFHFE-UHFFFAOYSA-N 413.905 3.524 0 50 HHAA COCc1cc(C)nc2c1C(=O)N[C@H](c1ccc(OC)cc1)N2Cc1ccccc1 19874968 JVECAYJEFUYVLB-QFIPXVFZSA-N 403.482 3.994 0 50 HHAA Cc1cc(C)n(CCCNCc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)n1 20209140 VWGXOXWBCJEMSZ-UHFFFAOYSA-N 419.504 3.577 0 50 HHAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCCN2C)C3)c1 39353429 LWHZBPGVISUMPF-XXBNENTESA-N 424.516 3.908 0 50 HHAA CSc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1C(=O)N1CCCCC1 72140596 AWYCYNAABPMZCM-UHFFFAOYSA-N 422.547 3.652 0 50 HHAA O=C(c1cccnc1)[C@H]1CCCN(C(=O)[C@@H]2CC(Cc3ccccc3Cl)=NO2)C1 299767215 PLRIBXKOTYYMEY-PXNSSMCTSA-N 411.889 3.544 0 50 HHAA CC[C@H](OC(=O)c1cc(Cl)c(N)cc1OC)C(=O)c1ccc(NC(C)=O)cc1 748869855 VXVVMMQZKARGKU-KRWDZBQOSA-N 404.850 3.708 0 50 HHAA Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](C)CN3CCc4ccccc4C3)c2)n1 821816049 IKVFUKIQQNWJNA-LJQANCHMSA-N 402.542 3.725 0 50 HHAA CCCc1nc(C)c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)s1 823015182 OQFRADBQQONFIE-MRXNPFEDSA-N 415.559 3.861 0 50 HHAA COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C4CCOCC4)C3)cn2)c1 824788019 WDKPLQCUUXBEKL-QGZVFWFLSA-N 411.502 3.712 0 50 HHAA Cc1c(Cl)cccc1NC(=O)CC(=O)NCCN1CCC[C@H](c2ccccc2)C1 827792171 SWFTXUXUMXMUAE-IBGZPJMESA-N 413.949 3.973 0 50 HHAA C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc2c(O)ncnc2c1 1298397584 ZUHHISLJORCRSE-KZULUSFZSA-N 417.387 3.956 0 50 HHAA Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccccc3Cn3ccnc3)c12 1857530302 LHLUUDJYEDHBFO-UHFFFAOYSA-N 413.437 3.966 0 50 HHAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cc(F)cc(F)c3)C1)CC2 1857701681 TXRLAZXARVJISP-QFIPXVFZSA-N 401.457 3.878 0 50 HHAA Cc1ccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)cc1S(N)(=O)=O 873257 CDAWMQZSOPLPRB-UHFFFAOYSA-N 406.467 3.702 0 50 HHAA CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)c1 1115440 UCCHUNDWRNPEAF-UHFFFAOYSA-N 415.906 3.825 0 50 HHAA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1C 1131272 QSJBVVXGGZDJIK-UHFFFAOYSA-N 423.542 3.576 0 50 HHAA COc1cccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 1173671 GTLCAAYNIFEKRX-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA COc1ccc(C(=O)CN2C(=O)O[C@@H](c3ccccc3)[C@@]2(O)c2ccccc2)cc1 1422469 PJDQYVLNACAXBY-UPVQGACJSA-N 403.434 3.917 0 50 HHAA COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCc3ccccn3)c2c1 1459193 QWDSXAAFQUIYCN-UHFFFAOYSA-N 413.433 3.964 0 50 HHAA O=C(NC[C@H]1CCC2(CCN(C(=O)c3ccccc3F)CC2)O1)C1CCCCC1 11788901 CFFPIEXJFCQUIG-GOSISDBHSA-N 402.510 3.676 0 50 HHAA COCC1CCN(Cc2cccc(OC[C@@H](O)CN(C)C3CCCCC3)c2)CC1 11816718 NFGVGRBYNUIFKA-QHCPKHFHSA-N 404.595 3.549 0 50 HHAA CCOC(=O)N1CCC(N(C)C[C@H]2CCCN(CCc3ccccc3OC)C2)CC1 11955640 HRPVYDCSOMIUOT-HXUWFJFHSA-N 417.594 3.502 0 50 HHAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2CCc2ccccc2Cl)cc1 12218628 IBNHORSQRWZMJI-FQEVSTJZSA-N 414.933 3.840 0 50 HHAA CCN1C[C@@H](CN(C)C(=O)c2csc3nc(-c4cccc(Cl)c4)cn23)CC1=O 12300703 XUPPVHQKPJYUIB-CYBMUJFWSA-N 416.934 3.657 0 50 HHAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)cc1 12434763 IUWRXHBJYXHDJC-HXUWFJFHSA-N 424.566 3.980 0 50 HHAA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NC[C@@H]1CCCO1 17083017 GFZJQXBIKXFKEA-HNNXBMFYSA-N 404.557 3.981 0 50 HHAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCCC3)C1 17090749 BUMRHLINJSWVEU-JKSUJKDBSA-N 416.543 3.905 0 50 HHAA COc1ccc(C(=O)NC2CC2)cc1OC1CCN(C2Cc3ccccc3C2)CC1 19114229 JPLDDYOQTCEGDL-UHFFFAOYSA-N 406.526 3.598 0 50 HHAA COC(=O)c1ccc(-c2c(-c3ccccc3)ncn2CC2(CO)CCOCC2)cc1 65399362 GUSRAMFCJAAENT-UHFFFAOYSA-N 406.482 3.793 0 50 HHAA COc1ccc(CN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c(C)c1C 91746506 BJBYZGRWHJDQHD-OAQYLSRUSA-N 400.563 3.696 0 50 HHAA O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cccc(Cn2ccnc2)c1 138679123 QHFXPQKTPUFUDA-UHFFFAOYSA-N 406.555 3.775 0 50 HHAA O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)Nc1cc(Cl)cc(Cl)c1 169779622 DPGWYTDLPMGFIC-UHFFFAOYSA-N 405.285 3.710 0 50 HHAA CCCc1nc(C)c(C(=O)N2C[C@H](OC)C[C@@H]2c2nc(-c3cccnc3)c[nH]2)s1 170591178 BLNBVMSJBHQAHC-NVXWUHKLSA-N 411.531 3.791 0 50 HHAA Cn1nnnc1-c1cccc(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)c1 240902748 IVBJXYJAHKRGNP-UHFFFAOYSA-N 422.489 3.795 0 50 HHAA Cc1c(OCC(=O)Nc2cccc(Br)c2)c(=O)ccn1CCC(C)C 263588528 VHRPOPFLBXWOSE-UHFFFAOYSA-N 407.308 3.983 0 50 HHAA C[C@H](NC(=O)c1ccc(N2CCC(N3CCC(O)CC3)CC2)cc1)c1ccccc1 299766659 DXJPEUVPDXABEA-IBGZPJMESA-N 407.558 3.603 0 50 HHAA COc1cc2nc(N(C)C)c(CNCCc3ccc(F)cc3)cc2c(OC)c1OC 299794871 KNFNGXJHQOTLBQ-UHFFFAOYSA-N 413.493 3.798 0 50 HHAA Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H]3[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)C2)cc1 475530248 NRPAYGRLCRCQOJ-MTOAXGAPSA-N 419.569 3.749 0 50 HHAA Cc1ccc(C(=O)N2CCN([C@@H](COc3ccccc3)c3ccccc3)CC2)cn1 2100539563 OAOKATFUMPFYJD-DEOSSOPVSA-N 401.510 3.968 0 50 HHAA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(F)cc2)NC(=O)N1 845700 AJJAYYMMDJNYGK-MRXNPFEDSA-N 404.239 3.855 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(Br)cc2)nc2ccccc2c1=O 1148818 XSCLSHCIRIXUGQ-UHFFFAOYSA-N 418.316 3.910 0 50 HHAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 11911347 XBPHFAJUQINSHC-HNNXBMFYSA-N 421.526 3.635 0 50 HHAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1ccccc1Cl 12056435 ICTBRPBLUJQOQF-JOCHJYFZSA-N 421.928 3.500 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2ccc3nccnc3c2)C1 12074172 PAISZSHOTCHEBJ-VWLOTQADSA-N 417.509 3.966 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1cccc(Br)c1 15768899 GYZWLZFAENKGJR-UHFFFAOYSA-N 417.712 3.507 0 50 HHAA CCn1c(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)nc2ccccc21 19607590 QZJCZFHGECHCTA-QFIPXVFZSA-N 403.574 3.843 0 50 HHAA CC(C)CS(=O)(=O)c1ncc(CN(C)Cc2ccccc2)n1Cc1ccccc1 55568694 FRENRHYVASDFEU-UHFFFAOYSA-N 411.571 3.993 0 50 HHAA CC(C)Cn1c(CN2C[C@H]3CCC[C@@H]2C3)cnc1S(=O)(=O)Cc1ccccc1 59299951 UTOBSKIHIPRBIP-VQTJNVASSA-N 401.576 3.887 0 50 HHAA O=C(COc1ccccc1Cl)Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1 170606057 JLCINXTVIACYSP-UHFFFAOYSA-N 408.785 3.619 0 50 HHAA C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ncc(-c2ccccc2)o1 170631429 UZJVKMJRCAKZFS-STQMWFEESA-N 405.501 3.555 0 50 HHAA Cc1ccc(C[C@@H](CNC(=O)c2ccc(NC(=O)c3ccco3)s2)C(=O)O)cc1 170672592 ALBSZMCWUVIVSI-HNNXBMFYSA-N 412.467 3.575 0 50 HHAA C[C@@H]1Oc2c(cccc2C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)NC1=O 230209964 RQKAMEBRVHEZOL-VBHSOAQHSA-N 400.862 3.662 0 50 HHAA CC(C)(C)N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 248223415 INFCNLJSOSXEKD-TUFLPTIASA-N 418.468 3.692 0 50 HHAA O=C([C@@H]1SCCc2ccccc21)N1CCC(c2nc(-c3ccccn3)no2)CC1 463543437 KEPWQJOHOVCNPU-LJQANCHMSA-N 406.511 3.868 0 50 HHAA C[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)c1cccc(NS(C)(=O)=O)c1 755169792 SPDNTQVUIYBLFQ-LBPRGKRZSA-N 418.906 3.593 0 50 HHAA Cc1ccc2c(CC(=O)N[C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c[nH]c2c1 787400362 ZSTWXUOFTYLRMR-FQEVSTJZSA-N 411.452 3.604 0 50 HHAA COc1ccccc1OCCN(C)C(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 824828069 NMZHLLAXGODLDW-QFIPXVFZSA-N 400.494 3.899 0 50 HHAA CN1CCC(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)N3CCCC3)cc2)CC1 952962428 DLMIJZDOMOQKFT-FCHUYYIVSA-N 413.562 3.527 0 50 HHAA CC(C)Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)nc(O)n1 1506400614 VXSZFNITAGZQAJ-UHFFFAOYSA-N 409.317 3.650 0 50 HHAA Cc1cc2occ(CC(=O)N(Cc3cccnc3)C[C@@H]3CCC(=O)N3)c2cc1Cl 1506426346 GVNKTZVFVHLPED-KRWDZBQOSA-N 411.889 3.640 0 50 HHAA C[C@]1(n2nc(C3CCC3)nc2-c2ccc(N3CCCCC3)cc2)CCS(=O)(=O)C1 1875349043 KXWWUGKSKKRTRD-QFIPXVFZSA-N 414.575 3.737 0 50 HHAA N[C@H](Cc1n[nH]c2ccccc12)C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 1875351964 OIAGJTXQUMMBCX-WOJBJXKFSA-N 400.482 3.616 0 50 HHAA C[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(Cl)c4nsnc34)sc2C1 1875358026 GTRBWXQWYXBMGP-SSDOTTSWSA-N 400.938 3.727 0 50 HHAA O=C(NCCCO)c1cccc(-c2ccc3[nH]c(O)c(-c4cccs4)c(=O)c3c2)c1 2356149865 XOAONWAUPYMUGV-UHFFFAOYSA-N 420.490 3.741 0 50 HHAA COc1ccc(OC)c([C@H]2CC(=O)c3c([nH]c(C(=O)OC[C@H]4CCCO4)c3C)C2)c1 1080566 MDFKVQORLUIXMU-GDBMZVCRSA-N 413.470 3.589 0 50 HHAA COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 1137725 GTHBVORXTZDAQA-UHFFFAOYSA-N 408.545 3.746 0 50 HHAA CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 1438112 SLNOARDVTWNEAF-MRXNPFEDSA-N 402.516 3.901 0 50 HHAA CCc1ccc2occ(CC(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)c2c1 4828720 ITENHTFTLHVFGX-QGZVFWFLSA-N 417.552 3.815 0 50 HHAA COCCNC(=O)c1cccc(OC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1 12304046 QRKPYEDKQBSPGJ-REWPJTCUSA-N 412.574 3.898 0 50 HHAA O=C(NCc1cccnc1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12314778 YEPDWSWMWKEIMT-HXUWFJFHSA-N 413.525 3.560 0 50 HHAA COc1cccc(CNCC[C@H]2CCC(=O)N2Cc2cccc(-n3cccn3)c2)c1 14977815 IDOASEZUIBGWJM-OAQYLSRUSA-N 404.514 3.552 0 50 HHAA Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CCN([C@H](C)Cc2cccnc2)CC3)cc1 14996598 GWORXNYQGUOQHR-ZJSXRUAMSA-N 421.585 3.961 0 50 HHAA COc1ccc(OC)c(NC(=O)[C@@H](CC(=O)O)Cc2ccc(Br)cc2)c1 16115884 CKXTYOOQMQXOLQ-CYBMUJFWSA-N 422.275 3.738 0 50 HHAA Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc(N2CCCCC2)n1 65363941 ZLJHSGBWNVWZNJ-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 225689028 ANUQLYUWURSXPF-MBSDFSHPSA-N 416.518 3.624 0 50 HHAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 229534614 HTTMRQODSNCUML-JFIYKMOQSA-N 423.538 3.691 0 50 HHAA O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@H]1CCSc2ccc(Cl)cc21 241564223 OSJGOZSIGRWJOF-FMKPAKJESA-N 406.935 3.558 0 50 HHAA COc1ccc(-c2cc3c(=O)n(C[C@H](O)c4c(C)cc(C)cc4C)ccn3n2)cc1 263615304 BRQBGUQDRKZQGE-QFIPXVFZSA-N 403.482 3.830 0 50 HHAA O=C(NCc1nccn1C(F)F)N1CCc2c(Br)ccc(Cl)c2C1 464363966 HKRRMHCMSVXEIN-UHFFFAOYSA-N 419.657 3.962 0 50 HHAA Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1S(=O)(=O)N1CCCCC1 469146505 ULMYCNRCYIHMSN-VQTJNVASSA-N 416.518 3.595 0 50 HHAA CCCn1c(SCc2nc([C@@H](C)OC)no2)nc2sc3c(c2c1=O)CCC3 476483705 BBNCWDKTDNOIOC-SNVBAGLBSA-N 406.533 3.739 0 50 HHAA CC(=O)c1ccc(Cl)c(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)c1 761907211 OEPNYQZAUKYOGO-PXNSSMCTSA-N 418.946 3.848 0 50 HHAA O=C(N=c1cc(-c2ccc(F)cc2)o[nH]1)NCCc1nc(-c2ccccn2)cs1 1875353393 RGDGIMDBTNPPJG-UHFFFAOYSA-N 409.446 3.785 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cn4cc(Cl)ccc4n3)C2)c2cccc(=O)n21 2356145476 OCRGFRMTIQXUAK-DAYGRLMNSA-N 410.905 3.750 0 50 HHAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3ccc4nccnc4c3)C2=O)cc1 2356165637 MDHUDFOUFXYXGE-DEOSSOPVSA-N 400.482 3.740 0 50 HHAA CCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 675879 RBBFJDULFNFFIN-UHFFFAOYSA-N 414.417 3.916 0 50 HHAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)c1OC 867226 PLIFAJAUALGSDM-SFHVURJKSA-N 415.877 3.932 0 50 HHAA COC(=O)C1=CN(Cc2ccccc2OC)C=C(C(=O)OC)C1c1ccc(F)cc1 1140938 CUJOGERLTUEPOW-UHFFFAOYSA-N 411.429 3.548 0 50 HHAA Cc1ccc(C[C@@H]2CC(=O)N(c3ccccc3I)C2=O)cc1 1216119 BGSSNAFFGWGNIB-CQSZACIVSA-N 405.235 3.722 0 50 HHAA COc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1OC 3105001 UKCGCRWKUSWMKI-UHFFFAOYSA-N 412.417 3.713 0 50 HHAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(OC)cc2)cc1 4113513 OUBCGYLJZNONMI-OAQYLSRUSA-N 410.470 3.855 0 50 HHAA CCc1cccc(C)c1NC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl 12004075 SPQPFDPAYOVMGV-UHFFFAOYSA-N 406.891 3.530 0 50 HHAA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12380779 GIMBPBYGDQOXRZ-SECBINFHSA-N 424.803 3.803 0 50 HHAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12)NCCC1=CCCCC1 12749277 UMEZBMHFCGDTSN-QHCPKHFHSA-N 405.542 3.537 0 50 HHAA O=C1CCN(Cc2cccc(OCc3ccccc3)c2)CCN1Cc1cccnc1 15003228 AUAKVLHLYQCUHM-UHFFFAOYSA-N 401.510 3.895 0 50 HHAA O=C(NCc1ccc(OC(F)(F)F)cc1)c1cn(Cc2ccccc2Cl)nn1 15065503 BPLLKVFFXWJSQO-UHFFFAOYSA-N 410.783 3.808 0 50 HHAA CCCCCCOc1ccc(N2C(=O)C[C@H](NCc3ccc4c(c3)OCO4)C2=O)cc1 18250336 FNTHCIWHIAELJF-FQEVSTJZSA-N 424.497 3.796 0 50 HHAA Cc1ccc(CN2CCN(C(=O)c3ccn(COc4cc(C)ccc4C)n3)CC2)cc1 20028700 RVNDZHIGDOPNDE-UHFFFAOYSA-N 418.541 3.803 0 50 HHAA CC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 44856970 WCCOUMUDNAYZBC-JOCHJYFZSA-N 414.571 3.570 0 50 HHAA Cc1nc(CN(C(=O)c2cc(-c3cnn(C)c3)nc3ccc(F)cc23)C(C)C)no1 63847160 YAKFZRNUIBHFTN-UHFFFAOYSA-N 408.437 3.517 0 50 HHAA COc1ccc(CCN2CCC[C@@H](CN(C)C(=O)c3cc(Cl)cn3C)C2)cc1 95497631 NAEAKXXMQKOGGR-SFHVURJKSA-N 403.954 3.714 0 50 HHAA C[C@H](OC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1)C(=O)c1ccccc1 101865882 PUWUJNRQSUOKTA-AFMUBRCDSA-N 417.461 3.816 0 50 HHAA COc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)cc1 169618982 IGWCBRVZDFLCJE-RVHYNSKXSA-N 407.466 3.883 0 50 HHAA CCOc1cccc(-c2noc(-c3nnn4c3CO[C@@H](c3cccc(OC)c3)C4)n2)c1 169758461 RRFJKOKDJBVZKN-LJQANCHMSA-N 419.441 3.674 0 50 HHAA COc1ccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)no2)cc1F 169769330 FIAWBNMVLAJZOM-SFHVURJKSA-N 407.405 3.723 0 50 HHAA COC(=O)[C@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@@H]1c1ccsc1 170601411 GFRSQZAFYQYSSU-NEPJUHHUSA-N 400.283 3.789 0 50 HHAA COc1ccc2c(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)nsc2c1 170613530 FEAVXISVVGMVCF-SFHVURJKSA-N 411.527 3.880 0 50 HHAA C[C@@H]1Oc2c(cccc2C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)NC1=O 230209971 RQKAMEBRVHEZOL-FHSNZYRGSA-N 400.862 3.662 0 50 HHAA CSCC[C@@H](NC(=O)[C@H](C)N1Cc2ccccc2C1=O)c1nc2ccccc2n1C 252539488 OCLWUBCYUVFAOI-HNAYVOBHSA-N 422.554 3.528 0 50 HHAA O=C(c1cn2cc(C(F)(F)F)cc(Cl)c2n1)N1CCN(c2ccccc2)CC1 263640128 YPHCAOUMHFBBDI-UHFFFAOYSA-N 408.811 3.969 0 50 HHAA Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@H]3CNCC[C@@H]3C)cc12 427586292 CWGFCDROYMSBTK-YVEFUNNKSA-N 402.951 3.836 0 50 HHAA O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cnc2c(F)cccc2c1 498135099 KOALFCSFTWKFTM-KRWDZBQOSA-N 401.800 3.702 0 50 HHAA NC(=O)c1ccc(NC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1F 732432529 LECXJPQVPAYBJJ-GOSISDBHSA-N 405.857 3.556 0 50 HHAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)c1 1446978258 ISUXVIFOKONBJO-GOSISDBHSA-N 401.470 3.616 0 50 HHAA CCN1CCC(N(CCc2ccccn2)C(=O)c2ccc(C(F)(F)F)nc2)CC1 1506425273 OGDIISJHUBIZCZ-UHFFFAOYSA-N 406.452 3.665 0 50 HHAA Cc1cc(OC(C)(C)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc(C)c1Cl 1529139271 OBCPZVWGFVYCGR-IXDOHACOSA-N 406.954 3.830 0 50 HHAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1C[C@@H]2C=C[C@H]1CC2 1875287861 DCSSARPGLOFLQG-SFNKJDCFSA-N 414.513 3.697 0 50 HHAA CCc1c(NC(=O)N=c2cc(-c3ccccn3)[nH][nH]2)cnn1-c1ccccc1Cl 1875308302 ZGUNOPBQGQFYFJ-UHFFFAOYSA-N 407.865 3.939 0 50 HHAA O=C(N[C@@H]1CC[C@@H](C(=O)O)CCC1(F)F)c1nn(-c2ccccc2F)c2c1CCC2 1875353843 IAHVQKUPEGXBTQ-SJKOYZFVSA-N 421.419 3.509 0 50 HHAA Cc1cnn(C2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)CC2)c1 2325820305 NJDHKUGDYNOAFU-HXUWFJFHSA-N 412.534 3.929 0 50 HHAA C[C@@](CC(=O)NCc1nc(-c2ccncc2)cs1)(C(=O)O)c1ccc(Cl)cc1 2325851765 IQLRUPRIAKHCNR-FQEVSTJZSA-N 415.902 3.907 0 50 HHAA COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1 915158 JWCBHZDITMOIQN-RUZDIDTESA-N 401.462 3.745 0 50 HHAA CC(C)c1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)cc1 1110016 NGFJTRPLOZYLEP-UHFFFAOYSA-N 423.538 3.717 0 50 HHAA COC(=O)c1cc(C)sc1NC(=O)[C@]1(C)CC1(Br)Br 2753516 RHURXKNROIXSAY-NSHDSACASA-N 411.115 3.678 0 50 HHAA O=C(Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl)c1nc2ncccn2n1 2808587 JVCPTIUPCOPCNQ-UHFFFAOYSA-N 422.663 3.582 0 50 HHAA CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 2849877 RELMQEPLUAGVSN-IBGZPJMESA-N 422.481 3.603 0 50 HHAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccccc2Br)o1 4541949 REBDBUDMSVILLK-MRXNPFEDSA-N 405.248 3.900 0 50 HHAA CCOc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1 5146377 ZCUGGWSVVNNTDS-UHFFFAOYSA-N 413.474 3.645 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2cc(C3CC3)on2)C1 11768886 BVXSYUGDQDECJX-JOCHJYFZSA-N 400.450 3.719 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(C/C=C/c3ccco3)CC2)c(Cl)c1 11841646 DTTFNOCKKPQEDQ-DUXPYHPUSA-N 418.921 3.866 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2cc(C)c(C)[nH]c2=O)CC1 12026407 HRNMNGGTHKQJCR-UHFFFAOYSA-N 424.541 3.800 0 50 HHAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C2CCN(C(C)=O)CC2)C1 12052580 MHRHKCIPQQRAHL-JOCHJYFZSA-N 406.954 3.539 0 50 HHAA Cc1ccc(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)o1 12308144 WJGZSDBSJUAHJW-UHFFFAOYSA-N 405.498 3.956 0 50 HHAA CCCNC(=O)c1cc(=O)n(CC(=O)Nc2cccc(Cl)c2C)c2ccccc12 12411176 ZVPPRZPMYBPJIA-UHFFFAOYSA-N 411.889 3.742 0 50 HHAA biogenic,in-vitro COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 12458069 AXYPDWMLKORYNS-KRWDZBQOSA-N 403.906 3.815 0 50 HHAA CC(C)(C)CC(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 20614444 ZDFWYKDCEILIDM-NRFANRHFSA-N 423.557 3.831 0 50 HHAA CCOC(=O)c1cn(C2CC2)c2c(OC(F)F)c(Br)ccc2c1=O 34654740 ZVUUANRFLJIZGV-UHFFFAOYSA-N 402.191 3.877 0 50 HHAA O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccccc1 101232114 URMJABIZXOISIF-HSALFYBXSA-N 405.841 3.786 0 50 HHAA COc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 169345204 IJDOLSDVADCVOO-NYYWCZLTSA-N 418.415 3.712 0 50 HHAA CCCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OCC)C2)cc1OCC 170600827 LDXGKBHWMUBYFW-WMZOPIPTSA-N 406.523 3.861 0 50 HHAA Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5C[C@H]3C[C@@H]54)cc2)c1 239338963 LMMYRXURCHDBOR-JUHPOPGZSA-N 404.466 3.692 0 50 HHAA O=C(CN1CCCCCC1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704298760 MZKYEHAQDVXVSK-VWLOTQADSA-N 404.558 3.826 0 50 HHAA Cc1nc2ccc(C(=O)N3CC[C@@]45O[C@H](c6ccccc6)CN4C(=O)C[C@@H]35)cc2s1 1857721237 GFQVKUOJTWRTMS-NOXFTYBFSA-N 419.506 3.519 0 50 HHAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCc2nocc2C1 1857740284 LWFJSNWPIPERIW-ZDUSSCGKSA-N 400.866 3.661 0 50 HHAA O=C(N=c1cc(C2CCOCC2)o[nH]1)NCC1(c2cccc(C(F)(F)F)c2)CC1 1875264143 SXQMFKKOJJIWAN-UHFFFAOYSA-N 409.408 3.863 0 50 HHAA COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cnc2ccnn2c1C 2325819455 FQDGZAVXCHKZCQ-MRXNPFEDSA-N 415.291 3.786 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ncc(C3CC3)s2)C(C)C)cc1C 2325861933 CZAHDAJYNDTZHQ-QGZVFWFLSA-N 407.561 3.579 0 50 HHAA O=C(C1CC(=C2CC2)C1)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F 2325872838 OVTRQILYVCVYIU-FCGDIQPGSA-N 408.464 3.833 0 50 HHAA COc1ccc(C)cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 658905 MWFWAUMPUUVUIP-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA O=C(CS[C@H]1CC(=O)N(CCc2ccccc2)C1=O)Nc1ccc2ccccc2c1 1056968 DWPKCZSCHNCNCQ-NRFANRHFSA-N 418.518 3.882 0 50 HHAA O=C(N[C@@H](Cc1ccccc1)C(=O)NCCSc1ccccc1)c1ccccc1 2171952 ZMVLAFZLXUFBOC-QFIPXVFZSA-N 404.535 3.936 0 50 HHAA Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 2840590 TZEVRXBSBVCQAW-UHFFFAOYSA-N 414.449 3.890 0 50 HHAA CC1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3c(c2)OCCO3)CC1 4759743 SNUXXWWARWUARY-UHFFFAOYSA-N 411.527 3.821 0 50 HHAA CCOC(=O)COc1ccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OCC 5061294 SXUCXFBDXDDZSV-UHFFFAOYSA-N 402.472 3.609 0 50 HHAA COc1ccc(Cc2nc3c4c(C)c(C)n(-c5cccnc5)c4ncn3n2)cc1OC 6719432 MMDYFHINGYGVNG-UHFFFAOYSA-N 414.469 3.688 0 50 HHAA CCc1ocnc1C(=O)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 11996655 FFFKBYQHHULZAF-INIZCTEOSA-N 403.473 3.890 0 50 HHAA C[C@H](Cc1ccc(F)cc1)N1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 11997362 PZOHRHDNLPUCSI-OAHLLOKOSA-N 418.896 3.873 0 50 HHAA CO[C@H](C(=O)NC[C@H]1CCC2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1 11998368 XHUGRGRARYVJTQ-PKTZIBPZSA-N 408.542 3.704 0 50 HHAA Cc1cc(C(=O)NC[C@H]2CCCN(Cc3nc(-c4cccs4)oc3C)C2)no1 12000799 UXDMTNOZUKAROV-OAHLLOKOSA-N 400.504 3.650 0 50 HHAA CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 12092977 GEMIQXMTTZAHJO-DEOSSOPVSA-N 414.553 3.635 0 50 HHAA Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 13124030 LUVGKBBKHDPRTJ-IUODEOHRSA-N 424.452 3.577 0 50 HHAA Brc1cccc(CNc2nc3ccccc3n2CCN2CCOCC2)c1 13153256 JCGZWQHALLXIAJ-UHFFFAOYSA-N 415.335 3.743 0 50 HHAA CCn1c(C(=O)OC)c(NC(C)=O)c2cc(N[C@@H](C)Cc3ccccc3F)cnc21 14533846 WLLMKAFVGNXIBH-ZDUSSCGKSA-N 412.465 3.983 0 50 HHAA O=C(CCOc1ccccc1)N1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 15069340 VVKUSZZECUZGSY-UHFFFAOYSA-N 402.494 3.870 0 50 HHAA Cn1c(C(O)(c2nc3ccccc3n2C)c2nc3ccccc3n2C)nc2ccccc21 15767529 XVHDFCKAQYIDNE-UHFFFAOYSA-N 422.492 3.631 0 50 HHAA CC(C)(C)c1cc(=O)[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 19943527 GOVZEQOIHITGCD-UHFFFAOYSA-N 402.542 3.979 0 50 HHAA CN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc4nccnc4c3)CC2)C1 96137696 CTXYOGYSEOQXCN-NRFANRHFSA-N 400.526 3.972 0 50 HHAA O=C(c1ccc2c(c1)OCO2)N1CCCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 169752990 CUXCECMTPKZZIU-UHFFFAOYSA-N 424.888 3.811 0 50 HHAA CC(C)Cn1c(CC2(CC(=O)N[C@H]3CC[C@@H](N)CC3)CCCC2)nc2cccnc21 248270026 ZAMLIZOZKVBNBZ-KDURUIRLSA-N 411.594 3.966 0 50 HHAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3n2C)n[nH]1 252549980 RYAVXEHGOGCTST-GOSISDBHSA-N 419.533 3.831 0 50 HHAA O=C(NCc1ccccc1Cl)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 263616389 IKHUAJABDAUHCP-QGZVFWFLSA-N 403.269 3.786 0 50 HHAA CC1(C)C[C@@H](NC(=O)N2CCC(OCCN3CCCC3)CC2)c2ccc(F)cc2O1 482938037 RGFKOHMVBHLXFG-HXUWFJFHSA-N 419.541 3.714 0 50 HHAA CN(C(=O)c1ccc(Br)nc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 791106469 QZXONLKDVBWTCP-CQSZACIVSA-N 412.328 3.706 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](OCc4ccccn4)C3)cc2)n1 1506396609 LFHNNEDUDQIFQS-HSZRJFAPSA-N 404.514 3.765 0 50 HHAA O=c1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)nc2sc(C3CC3)nn12 1506410360 FNIAGMMDMPGHIW-AWEZNQCLSA-N 407.499 3.549 0 50 HHAA Cc1cc(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)cc(O)n1 1857705310 BQBIBXJYHDZMLD-JOCHJYFZSA-N 423.557 3.808 0 50 HHAA COCCCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccccc1F 1857800235 RAUZBKCRAKDJCA-UHFFFAOYSA-N 408.426 3.901 0 50 HHAA Cc1cc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3Br)CC2)on1 2325819185 ZHFMCUTYTAXTHL-UHFFFAOYSA-N 419.728 3.967 0 50 HHAA O=C(NC1CC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 1063283 WUMMINNVIGAGRH-UHFFFAOYSA-N 406.507 3.974 0 50 HHAA Cc1cccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 1072769 WDPXZYWCYTZDSU-UHFFFAOYSA-N 406.935 3.856 0 50 HHAA Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c(C)c1 1118710 FBHXAQLCRGASEL-UHFFFAOYSA-N 416.543 3.932 0 50 HHAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 1200154 WVVMTMSRKFKRIK-GOSISDBHSA-N 401.850 3.624 0 50 HHAA COc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1Cl 1204400 ZOWLFTKYNQUVBJ-UHFFFAOYSA-N 410.923 3.877 0 50 HHAA O=C(NCCCn1ccnc1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 6445957 GIVOPYHHSKYZIU-HIFRSBDPSA-N 424.452 3.622 0 50 HHAA COc1ccc(-c2nc(CN3CCCC[C@H]3CCNC(C)=O)c(C)o2)c(OC)c1 11999711 RHXNKIKJESRTCL-KRWDZBQOSA-N 401.507 3.548 0 50 HHAA COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cc1 12596878 COMNGMGBNUAHKQ-LJQANCHMSA-N 414.933 3.836 0 50 HHAA CCCN1CCC(N2CCC[C@@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 14973854 BWZKDSSDGKLBLY-DEOSSOPVSA-N 402.579 3.975 0 50 HHAA OCCOc1cccc(CN2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)c1 15069495 OZXNCTDOAOQTCP-VWLOTQADSA-N 419.521 3.728 0 50 HHAA COc1cccc(CN2CCN(Cc3cccc(Br)c3)CC2)c1OC 19781798 FABUNCRPUMHTPR-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA Cc1n[nH]c(O)c1[C@H](c1ccc(OC(C)C)cc1OC(C)C)c1c(O)n[nH]c1C 20139355 AEYGFFGIKGBQFI-UHFFFAOYSA-N 400.479 3.915 0 50 HHAA CN(C)C1CCN(C(=O)C[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)CC1 44123662 AORXSJWGLAGQCA-JOCHJYFZSA-N 408.542 3.531 0 50 HHAA COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)c(OC)c1 169295016 XVNXPSHUKZUHRX-KYNGSXCRSA-N 422.481 3.882 0 50 HHAA C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nnc2ccc(-c3ccccc3)nn12 169778335 OAPBQRXSQVDCOW-CQSZACIVSA-N 407.861 3.528 0 50 HHAA Cc1cc2c3c(c1)C(CN1CCN(c4ccccc4)CC1)=CC(C)(C)N3C(=O)C2=O 253495681 NJYYNOZWXCLECJ-UHFFFAOYSA-N 401.510 3.522 0 50 HHAA O=C(NCCCc1ccccc1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263615261 BMDAUGCUWKIBNH-UHFFFAOYSA-N 414.505 3.970 0 50 HHAA COc1cccc(CN2CCC(Oc3ccccc3F)CC2)c1O[C@@H](C)C(=O)O 1506400733 CECWQQYUMWDFGI-HNNXBMFYSA-N 403.450 3.730 0 50 HHAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)cc1F 1800412033 UTNQQGYRXJZIRS-FQEVSTJZSA-N 411.473 3.678 0 50 HHAA Cc1ncsc1CCNC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857710934 BTPGPZOZAWOLQS-UHFFFAOYSA-N 404.923 3.821 0 50 HHAA Cn1cc(Cl)cc1C(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857724033 JBDHDJYPULVZLR-UHFFFAOYSA-N 422.916 3.961 0 50 HHAA O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)[C@H](O)c1ccc(Cl)cc1F 1875263061 QLTZOTPJKQUILT-HXUWFJFHSA-N 410.836 3.785 0 50 HHAA CCCn1ccc(CNC(=O)N2CCN(c3nc4ccc(Cl)cc4s3)CC2)n1 1875355055 YJBPAOOWQLJVRR-UHFFFAOYSA-N 418.954 3.588 0 50 HHAA Cn1[nH]cc2/c(=N/C(=O)c3cc(C4CC4)nc4c3cnn4C3CCCCC3)ccnc1-2 2325703422 HZGQZKWYYCIEII-TURZUDJPSA-N 415.501 3.721 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)c1cc(I)ccc1Cl 1219045 KSJRCMGVPDDWTH-UHFFFAOYSA-N 415.614 3.968 0 50 HHAA Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C(=O)O)(c5ccccc54)[C@H]3C2=O)cc1 3635178 LDDJBMPSZLFYJZ-LMGFAJPXSA-N 409.441 3.630 0 50 HHAA COC[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)C1 11783059 FDTLDHWSBDHXFM-NLFFAJNJSA-N 408.542 3.696 0 50 HHAA COc1ccc(CCN2C[C@@H](C(=O)NCCC3CCCCCC3)CCC2=O)cc1 12313958 RTURJBJKSXENIP-NRFANRHFSA-N 400.563 3.953 0 50 HHAA CSCCC(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@@H]1CCCO1 12373614 TYAAEYJQIKLLIL-QFIPXVFZSA-N 404.620 3.968 0 50 HHAA CCOC(=O)N1CCC(N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 13595467 GWXQBVBGOBNEOW-IBGZPJMESA-N 402.535 3.989 0 50 HHAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1OC 14980167 FTUICHASAHRRDU-FQEVSTJZSA-N 414.468 3.861 0 50 HHAA C[C@H](CNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)Cn1cc(Cl)cn1 20607022 NEJPGDOIUIUJFQ-MRVPVSSYSA-N 405.833 3.570 0 50 HHAA O=C(NCc1ccncn1)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 67894818 GWRAMZVAKROFSF-UHFFFAOYSA-N 414.937 3.846 0 50 HHAA Cc1cc(C(=O)N(CCN2CCCCC2)C[C@@H]2CCCN(C3CCCC3)C2)on1 95504167 USZLLKRNJAXQCU-HXUWFJFHSA-N 402.583 3.566 0 50 HHAA COc1ccccc1Cc1nc(-c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)no1 169769209 PFDMFXHMQUYVDU-GOSISDBHSA-N 423.860 3.852 0 50 HHAA O=S(=O)(NCc1ccco1)c1cccc(NCc2c[nH]nc2-c2cccs2)c1 170615997 QEYIKFHOIRAYGJ-UHFFFAOYSA-N 414.512 3.822 0 50 HHAA CCCc1ccc(-c2nc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)sc2C)cc1 225592068 CXUDFBFMYVQCIC-NCOADZHNSA-N 400.500 3.888 0 50 HHAA COc1cc(OC)cc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CCCC(=O)O)c1 225780491 IBCAAQKIUCRROF-HXUWFJFHSA-N 414.433 3.776 0 50 HHAA C[C@H]1[C@@H](C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CCCN1C(=O)OC(C)(C)C 241465995 NTSIXYCCMDKUEO-RDJZCZTQSA-N 416.497 3.663 0 50 HHAA COc1cccc(-c2cc3n(n2)[C@H](NCc2ccccc2C(F)(F)F)CNC3=O)c1 263619473 YUVGEEHCQKRPFI-IBGZPJMESA-N 416.403 3.609 0 50 HHAA CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[C@H](O)COc1cc(C)cc(C)c1)C2=O 302717384 FMFBATOPHRRWGI-SZTYLXMGSA-N 416.562 3.960 0 50 HHAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc2ccccc2c(=O)s1 824400673 IBDGMKBHRSSDMC-AZUAARDMSA-N 414.571 3.615 0 50 HHAA biogenic O=C(Cn1ncc2ccccc21)NC[C@H]1CCCN(Cc2cc3ccccc3o2)C1 827863967 KYJKWLYWOOYSTC-GOSISDBHSA-N 402.498 3.811 0 50 HHAA O=C(CCc1nc2ccc(F)cc2[nH]1)Nc1ccc(NC(=O)CN2CCCCC2)cc1 828052256 PPYUMFRVBGKLIO-UHFFFAOYSA-N 423.492 3.698 0 50 HHAA Cc1cnccc1N1CCCN(C(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)CC1 952976853 HLYMDORCNGVLSP-SFHVURJKSA-N 414.509 3.631 0 50 HHAA O=C(CCCc1cn[nH]c1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704303026 HIUMEZMJCWYINE-DEOSSOPVSA-N 401.514 3.696 0 50 HHAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)c1 1775980907 KXEJVJAJMIOOEO-SFHVURJKSA-N 403.519 3.616 0 50 HHAA CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)cc1C 1875302184 CSKGJFWMHLOVOZ-UHFFFAOYSA-N 402.560 3.993 0 50 HHAA NC[C@H]1CCCC[C@@]12NC(=O)N(Cc1cc(-c3cccc(F)c3F)ccc1F)C2=O 1875309764 MJKHTHQGAGYOIA-IVZQSRNASA-N 417.431 3.710 0 50 HHAA COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)c1cnn2c(-c3ccccc3)ccnc12 1875318915 ZNSWOLROFQGHIT-MJGOQNOKSA-N 406.486 3.638 0 50 HHAA Cn1c(=O)ccc2c(NC(=O)N[C@](C)(CO)c3cc(Cl)cc(Cl)c3)cccc21 2325860583 LZSNVISPDSTHBA-HXUWFJFHSA-N 420.296 3.875 0 50 HHAA O=C(O)c1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)c1 754752 IFJMMXLLAWHUJO-UHFFFAOYSA-N 404.378 3.588 0 50 HHAA O=C(NCc1cccnc1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 866512 GLNVTHRMCZGKIK-UKRRQHHQSA-N 407.421 3.930 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(C)cc2C)cc1 893846 SSORKJMOWMYEOP-UHFFFAOYSA-N 409.511 3.841 0 50 HHAA CCn1c(SCC(=O)c2ccc3c(c2)OCO3)nc2sc(C)c(C)c2c1=O 1058088 BWKUMBNVPYAKRA-UHFFFAOYSA-N 402.497 3.798 0 50 HHAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(F)c2)c(OC)c1C 1188956 AZOZYCDUSJUXPX-GOSISDBHSA-N 415.490 3.583 0 50 HHAA CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC[C@H]4CCCO4)cc3n2)s1 2804488 PXMMTNDIOKVIQV-LLVKDONJSA-N 424.448 3.948 0 50 HHAA CCCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 2871524 JKXSAEDNTWZKQT-UHFFFAOYSA-N 419.572 3.905 0 50 HHAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccccc1 3612879 CKVHZOXQGDPALR-UHFFFAOYSA-N 424.522 3.833 0 50 HHAA O=C1N[C@H](c2ccccc2F)[C@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 4163774 KHYAUCQBMIYWPD-CPUCHLNUSA-N 416.758 3.583 0 50 HHAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccccc2Br)o1 4541964 LVIOGMKKKFHDJL-HNNXBMFYSA-N 407.289 3.675 0 50 HHAA Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=O)c1 4738780 GDPFHFYLSBDNQS-OAQYLSRUSA-N 414.465 3.756 0 50 HHAA O=C(NCCCn1ccnc1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 6829860 NETBLPGUBOHUHD-UHFFFAOYSA-N 414.465 3.690 0 50 HHAA Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)s1 9426926 HTZSASVMOMEGHF-GFCCVEGCSA-N 423.527 3.609 0 50 HHAA COc1cc(-c2c(OC)cccc2OC)cc2c1OCCN(C(=O)c1ccncc1)C2 12191569 SKSFVSRYAGGXLQ-UHFFFAOYSA-N 420.465 3.809 0 50 HHAA COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CC(C)C)[C@]31C(=O)N(C)c2ccccc21 12382086 LURAMNMOTAOZHS-VWLOTQADSA-N 417.509 3.827 0 50 HHAA biogenic O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 12434836 SFYZLOQHNPZBNJ-FQEVSTJZSA-N 409.486 3.620 0 50 HHAA CC(=O)NCC[C@@H]1CCCCN1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 13595272 CAKGVKYJXZPHAI-KRWDZBQOSA-N 410.440 3.560 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(Cc4cccc5nonc45)C3)C2)c1 14955557 AIICRLOWZVFDHU-HSZRJFAPSA-N 410.493 3.859 0 50 HHAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CCn2cccn2)CC1 14970906 PNCYLXRDJAVJKY-UHFFFAOYSA-N 412.578 3.679 0 50 HHAA O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3nc4c(s3)CCCC4)N3CCC[C@@]123 15074801 KLJKKCHRFASZEM-HMHJJOSWSA-N 419.594 3.927 0 50 HHAA Cn1cnnc1Sc1ccc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)o1 20997755 FXAFTAUZIMJIPL-LJQANCHMSA-N 409.559 3.582 0 50 HHAA c1ccc(-c2n[nH]cc2CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 23374982 IFWUGSJUQPQBIB-DEOSSOPVSA-N 401.558 3.863 0 50 HHAA CN1CCN(C(=O)c2c(NC(=O)c3ccccc3F)sc3c2CCCCC3)CC1 57255112 XJNIDQPLVHZTEN-UHFFFAOYSA-N 415.534 3.796 0 50 HHAA CS[C@@H](C)C(=O)Nc1nn(-c2cccc(F)c2)c2cccc(N3CCOC3=O)c12 77390325 CEENBUWBIKDJSX-LBPRGKRZSA-N 414.462 3.811 0 50 HHAA O=C(CS[C@@H]1CC(=O)N(CCc2ccccc2)C1=O)Nc1ccc2ccccc2c1 95482813 DWPKCZSCHNCNCQ-OAQYLSRUSA-N 418.518 3.882 0 50 HHAA CCc1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3COC)cnn1-c1ccc(F)cc1 170603877 VBMPRYHAIWMZQB-UHFFFAOYSA-N 422.460 3.709 0 50 HHAA COc1ccccc1-c1cc(C(=O)N[C@H](CC(C)C)c2nnc3ccccn23)[nH]n1 206249327 PSABRNHIHMHGCZ-QGZVFWFLSA-N 404.474 3.645 0 50 HHAA C[C@@H]1O[P@@](=O)([C@H](NS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O[C@@H]1C 244884224 YHWCSVVPGYKABM-MTSBCRONSA-N 422.654 3.678 0 50 HHAA CC[C@H](C)NC(=O)c1c(O)nc2c(Br)cc(Br)cc2c1O 299738353 ZHLNAIHTYNUVGC-LURJTMIESA-N 418.085 3.699 0 50 HHAA Cc1ccc(C[C@@H](CO)NC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cc1 466669887 QHUVZJCVJRPBFC-SUMWQHHRSA-N 402.363 3.779 0 50 HHAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cnc(O)c3ccccc23)CC1 1506420036 RJDUJEQBRLBJQO-UHFFFAOYSA-N 404.514 3.505 0 50 HHAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC2(CC1)OCCc1ccsc12 1704303655 NGJSSYXIDOZYAP-UHFFFAOYSA-N 406.511 3.613 0 50 HHAA CC(C)CN1CCC[C@]2(CCc3c(N(C)CCc4cn[nH]c4)nc(C4CC4)nc32)C1 1875248711 IZEMHYKKSQTCOY-DEOSSOPVSA-N 408.594 3.692 0 50 HHAA COCc1ccc(S(=O)(=O)N[C@H](c2ccc(OC)c(F)c2)C(F)(F)F)cc1 1875262417 MNQXUKORIPAYSO-MRXNPFEDSA-N 407.385 3.563 0 50 HHAA COc1ccc(C(=O)N[C@@](C)(C(=O)O)c2cc(F)ccc2F)cc1-c1ccccn1 1875263910 XZMJOMPYOLLTET-JOCHJYFZSA-N 412.392 3.765 0 50 HHAA CC[C@H](C[C@@H](C)CO)NC(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1 1875264437 AEPZZLOLKGZCOU-IUODEOHRSA-N 405.520 3.690 0 50 HHAA Ic1cc2nc[nH]c(=Nc3ccc4c(c3)COCC4)c2s1 1875309367 LWYUINXUWHQKQI-UHFFFAOYSA-N 409.252 3.534 0 50 HHAA Cc1cc(-n2c(C)cc(C(=O)NCCc3cc4ccc(C(=O)O)cc4o3)c2C)no1 1875330277 VXTGVWAKCXCNQP-UHFFFAOYSA-N 407.426 3.807 0 50 HHAA CCCCOc1ccc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)cc1C(C)C 1875336144 SVVJLFYWEFMSLD-UHFFFAOYSA-N 415.519 3.970 0 50 HHAA COc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 741749 SZJCXWQSJQYYMO-NRFANRHFSA-N 424.522 3.532 0 50 HHAA CCCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(F)c1 891543 FKHYKZVXCQQVNC-UHFFFAOYSA-N 404.507 3.628 0 50 HHAA O=C(OCC(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1 1577210 HIZCTWCPHWUPFU-UHFFFAOYSA-N 404.418 3.926 0 50 HHAA endogenous,in-man O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc(OC(F)(F)F)cc1 3007483 PPHZUXPDGFUKLN-UHFFFAOYSA-N 403.316 3.680 0 50 HHAA CCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O 4695184 MXKPPJKEYVWHEP-LDADJPATSA-N 412.467 3.769 0 50 HHAA C[C@@H](CNC(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1ccccc1 8594541 OIUBQDZSPLUSNM-INIZCTEOSA-N 423.480 3.950 0 50 HHAA CC(C)Cn1c(CN2C[C@@H]3CCC[C@H]2C3)cnc1S(=O)(=O)Cc1ccccc1 12434384 UTOBSKIHIPRBIP-UXHICEINSA-N 401.576 3.887 0 50 HHAA Cc1cccc(C)c1OCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1 12434967 CGRMAISAEGAKIG-UHFFFAOYSA-N 409.461 3.972 0 50 HHAA CCCN(CC1CC1)C(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C 15007988 BEABWFIRVLJFME-UHFFFAOYSA-N 419.485 3.629 0 50 HHAA CCCC1(CNC(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CCC1 82097451 CQHFJSHXNVEJPR-QFIPXVFZSA-N 412.622 3.845 0 50 HHAA O=C([C@H]1CSCN1C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)N1CCCC1 170625846 DMVHWCSOYZKUIJ-GOSISDBHSA-N 418.465 3.895 0 50 HHAA Cc1noc(-c2ccccc2C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1 225573051 OPFNHRQEJDNOGX-HIFRSBDPSA-N 400.479 3.563 0 50 HHAA CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(Br)cc2F)CC1 230533139 PADAKZUPXAHSHG-UHFFFAOYSA-N 417.319 3.910 0 50 HHAA O=C(Nc1ccccc1Cl)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)CC1 239105314 IFFSTGSYOPAFBV-CNGXNTBDSA-N 424.928 3.890 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)cc2)cc1 239306156 GMQIQKZJRYRUKH-KNPYFFGGSA-N 414.461 3.505 0 50 HHAA C[C@@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CCN(CC(F)(F)F)CC1 239367337 AIJFVHKPBNNODG-PXAZEXFGSA-N 421.866 3.837 0 50 HHAA C[C@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1cccc(CN(C)Cc2ccoc2)c1 299774291 BOUJPUUIMYBWQU-QGZVFWFLSA-N 422.529 3.711 0 50 HHAA O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccccn2)C1 299793650 JXWVWJHBKPQQBG-APWZRJJASA-N 417.431 3.867 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)[C@@H](c2ccccc2)c2ncc[nH]2)c(Br)c1 432266080 XNVMGLDWWLCFTA-KRWDZBQOSA-N 420.332 3.891 0 50 HHAA Cc1cc(C)c(CN2C[C@H](Cc3ccccn3)[C@@H](O)C2)cc1CN1CCC(C)CC1 1615739416 JUBROFSNVHPVIW-AHWVRZQESA-N 407.602 3.966 0 50 HHAA C[C@@H]1[C@H](NC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)CCCN1C 1775960435 LHAWGQHGUIVIIJ-VQIMIIECSA-N 413.541 3.588 0 50 HHAA Cc1nc(N)c2c(C)c(C(=O)N[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)sc2n1 1875262327 UCYJQGUHPWJQFX-QWHCGFSZSA-N 404.442 3.778 0 50 HHAA CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c2ncccc12)[C@@H](O)c1ccccc1F 2325749118 RCHVUTWFQZGCLF-LPHOPBHVSA-N 415.852 3.594 0 50 HHAA Cc1ccccc1[C@@H](NS(=O)(=O)c1c[nH]c(=N)c(C)c1)c1ccc(Cl)cc1 2325877441 RJARSTBZNIJSEC-IBGZPJMESA-N 401.919 3.832 0 50 HHAA CCOc1ccc2nc(S[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)nc(C)c2c1 912698 VNVGRTIYAMUCOJ-LJQANCHMSA-N 423.494 3.770 0 50 HHAA CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccs3)CC2)CC1 1179440 MQELJBIOOYOULG-UHFFFAOYSA-N 413.587 3.708 0 50 HHAA COc1ccccc1[C@@H]1SCCN1S(=O)(=O)c1ccc(Br)cc1 2472849 BLFMHJVODPULAV-INIZCTEOSA-N 414.346 3.894 0 50 HHAA O=C(Nc1ccc(Br)cn1)c1cnn2c(C(F)F)cc(C3CC3)nc12 2771089 LCCLZOFPZARWHE-UHFFFAOYSA-N 408.206 3.954 0 50 HHAA O=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 2883280 JWGHNFVMQIHJCA-FUHWJXTLSA-N 419.535 3.757 0 50 HHAA CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cn1C 8610042 GLWDKDAHVKKHQV-UHFFFAOYSA-N 403.548 3.713 0 50 HHAA Cc1nc(CNC(=O)c2cnn(-c3ncc(C)c(-c4ccc(F)cc4)n3)c2C)cs1 11972863 IHVMGQFYSNVMRU-UHFFFAOYSA-N 422.489 3.780 0 50 HHAA Cc1cccc2c(N3CCCC3)nc(CNC(=O)c3cccc(-n4cccn4)c3)nc12 12004584 UEZVGACLLAGJQC-UHFFFAOYSA-N 412.497 3.654 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3Cc2cccn2-c2ccccn2)cc1Cl 12030719 QCKMAUAJPDHGJO-HKUYNNGSSA-N 408.889 3.524 0 50 HHAA CCC[C@@]1(C2CCN(C(=O)c3ccc(C)cc3)CC2)NC(=O)N(Cc2ccco2)C1=O 12051905 CPXKOBLGYOQJPW-DEOSSOPVSA-N 423.513 3.731 0 50 HHAA Cc1nc(CNCc2cccc(OC[C@H](O)CN(C)C3CCCCC3)c2)cs1 12076817 XVCSOKPXMHVAGP-OAQYLSRUSA-N 403.592 3.746 0 50 HHAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)c1 12439063 LUABUYQQMQJSSN-JUGMSXHOSA-N 412.505 3.998 0 50 HHAA CCn1nc(C)c(CNCc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn23)c1C 12445467 PJFFKJVGHCTBES-UHFFFAOYSA-N 422.577 3.782 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)Cc4csc(C)n4)C3)C2)c1 12464511 NOPYWVSREOIVNE-JOCHJYFZSA-N 417.550 3.656 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)s1 12711548 QFPQADXYCIPQRT-INIZCTEOSA-N 424.563 3.693 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3cnc(N(C)C)s3)C2)c1 14961046 IZBICCOGCANHEQ-QGZVFWFLSA-N 416.591 3.526 0 50 HHAA COc1cc(CN2CCN(C/C=C/c3ccccc3)CC2)cc(Br)c1O 19537697 GYBQRIHTMWXSBQ-VMPITWQZSA-N 417.347 3.994 0 50 HHAA CCn1cc(CN2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 20209416 ACZGIABLTCIOOI-NRFANRHFSA-N 421.511 3.708 0 50 HHAA CN(C)c1nc(Cl)c(CN2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)s1 64024046 RPBGKBRNCYDTLV-CQSZACIVSA-N 408.955 3.710 0 50 HHAA COc1cc(-c2cc(C)c3cccc(OC)c3n2)cc2c1OCCN(C(=O)C(C)=O)C2 67689132 VUFWBTUJCRKZGG-UHFFFAOYSA-N 420.465 3.537 0 50 HHAA C[C@H](CN1CC2(CCN(Cc3ccc(N(C)C)nc3)CC2)OC1=O)c1ccccc1 72453548 LXZABHDRWFNMGX-LJQANCHMSA-N 408.546 3.738 0 50 HHAA O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCCc1cscn1 82039328 HVMGKTUMWFRIIP-UHFFFAOYSA-N 416.934 3.941 0 50 HHAA Cc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)c1 100024421 AZCWCPJBNIXSKD-KRWDZBQOSA-N 402.903 3.961 0 50 HHAA Cc1ccc(CN2CCN(C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@H]2CCO)o1 104638448 NEFRKAQYPPHMLQ-RUZDIDTESA-N 423.601 3.614 0 50 HHAA O=C(O)c1ccccc1C(=O)c1ccc(Cl)c(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 109656172 CESIRSTWILZTFW-GJZGRUSLSA-N 409.825 3.725 0 50 HHAA O=C(COc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1)c1ccc(F)cc1 239308995 HCULVCZZLOBHCK-ZNHHMURHSA-N 417.436 3.645 0 50 HHAA O=C(Cc1nnc(O)c2ccccc12)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 334161187 WBEQNYKPEUFIEX-JOCHJYFZSA-N 409.449 3.660 0 50 HHAA Cc1ccc(C2(CNC(=O)C3CCN(C(=O)c4cccnc4)CC3)CCC2)cc1C 790081829 UQKZNBHVULHVTC-UHFFFAOYSA-N 405.542 3.789 0 50 HHAA Cc1ccccc1[C@H](CC(=O)N[C@H]1C[C@H]1Cc1ccc(C(F)(F)F)cc1)NC(N)=O 1875261673 DDGWOYFXHOUQSW-MNEFBYGVSA-N 419.447 3.861 0 50 HHAA Cc1nn(C)c2cc(NC(=O)C[C@H](CN)c3ccc(Br)s3)ccc12 2325861140 GSXVCHACDABQHM-LLVKDONJSA-N 407.337 3.777 0 50 HHAA CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1 979723 YLZZEWGTEXXZRX-CQSZACIVSA-N 410.923 3.840 0 50 HHAA COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc(C)c(OC)cc3C)c2c1 1088440 VSWXIAKQCOJYFO-UHFFFAOYSA-N 402.516 3.631 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1cc(C(F)(F)F)ccc1Cl 1143712 PIKYCSOCUOCKSE-UHFFFAOYSA-N 424.803 3.903 0 50 HHAA Cc1cccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c1 1210642 OKBIOHCCUDHZLU-UHFFFAOYSA-N 409.445 3.533 0 50 HHAA Cc1cc(C)c(CN2C(=O)C(=O)c3ccccc32)cc1CN1C(=O)C(=O)c2ccccc21 2289900 FQATUPWMNDORML-UHFFFAOYSA-N 424.456 3.762 0 50 HHAA CCOC(=O)c1sc(NC(=S)NCc2cccs2)c(C(=O)OCC)c1C 2854973 ASFNFDIEKVIAPB-UHFFFAOYSA-N 412.558 3.958 0 50 HHAA O=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCCCCC1 2859728 AYMXKPNHPNLPJJ-UHFFFAOYSA-N 406.935 3.835 0 50 HHAA CSc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 2886520 YHNMXXKQLSIUHU-CQSZACIVSA-N 408.520 3.587 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2cccc(Cl)c2C)cc1 2958331 VHDQTEGDBJJUDC-UHFFFAOYSA-N 408.951 3.924 0 50 HHAA O=C(O)C12C[C@@H]3C[C@H](C1)CC(n1ncc(NCc4ccccc4)c(Cl)c1=O)(C3)C2 4928419 QLDVYFYGXPIVHC-MBWAJUJLSA-N 413.905 3.889 0 50 HHAA COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)cc1 5164248 ZVKBSENSURYYII-QTJGBDASSA-N 400.563 3.812 0 50 HHAA O=C(CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)NCc1ccc(F)cc1 6796757 UJZPANYMNAYADK-QFIPXVFZSA-N 419.456 3.784 0 50 HHAA COc1ccccc1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 12026402 SBOGOBLJGVJXGN-ZDUSSCGKSA-N 411.882 3.771 0 50 HHAA Cc1ccn(CC(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1 12055489 OYQBBDWFIYYVGK-INIZCTEOSA-N 422.451 3.868 0 50 HHAA Cc1ccc(C)c(CN2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)c1 12328304 RDSCNJWSZAUWLI-UHFFFAOYSA-N 400.906 3.920 0 50 HHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2c(C)nn(C)c2Cl)CC1 14964787 DSODCIYDOYUNOC-UHFFFAOYSA-N 419.953 3.779 0 50 HHAA CC(C)=CCC[C@@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 15000426 WWIKWSYPAUSTHD-OAQYLSRUSA-N 423.605 3.800 0 50 HHAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1cn(C)nc1C 17082022 XFOGRPWJUATKSY-UHFFFAOYSA-N 400.529 3.730 0 50 HHAA COCc1ccc(CN2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)o1 19836697 JTFODVSMNAUHED-IBGZPJMESA-N 402.535 3.582 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)CN1Cc1ccccc1 32561849 NFOADLLCQGBPRV-RTWAWAEBSA-N 419.491 3.963 0 50 HHAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)c1ccc(C)cc1 39420909 WSMMYLHSJQSNDY-UHFFFAOYSA-N 407.514 3.907 0 50 HHAA COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 85210665 BCPZDSVCYKERMU-CDKLUHQYSA-N 420.590 3.745 0 50 HHAA CCOc1ccc(CN2CCN(Cc3cn(C)c4ccccc34)C[C@H]2CCO)cc1 104557918 IDHJARVLFPJUGW-JOCHJYFZSA-N 407.558 3.646 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)Cc4ccccc4F)C3)[nH]n2)cc1 169755583 BNADIFKGQIIYAW-GOSISDBHSA-N 408.477 3.552 0 50 HHAA CCc1cc2c(=O)[nH]c([C@H]3CC(=O)N(c4ccc(Br)cc4)C3)nc2s1 170596409 HYIQMSBAOYNIGP-JTQLQIEISA-N 418.316 3.830 0 50 HHAA CNC(=O)c1ccc(OC)c(-n2cc(O)c(-c3nc(-c4ccccc4)cs3)c2N)c1 409413315 KKAWHDAVESPVMZ-UHFFFAOYSA-N 420.494 3.924 0 50 HHAA Cc1nc(C)n(Cc2cccc(NC(=O)N3CCC[C@H](CN4CCC(C)CC4)C3)c2)n1 428785334 ZKVHEZDPULUPLY-JOCHJYFZSA-N 424.593 3.919 0 50 HHAA O=C(CN(c1cccc(CO)c1)C1Cc2ccccc2C1)N1CCc2sccc2C1 470869823 LJJMHHUCDSYZPO-UHFFFAOYSA-N 418.562 3.799 0 50 HHAA O=C(NC1CN(c2ccc(C(=O)O)cn2)C1)OCC1c2ccccc2-c2ccccc21 725240969 OMSDOIVCJKABEI-UHFFFAOYSA-N 415.449 3.507 0 50 HHAA O=C([C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CC=C(c2cccc3ccccc23)CC1 1464547771 PGWXKUBENTYIJD-RBUKOAKNSA-N 423.456 3.679 0 50 HHAA CN(C)C[C@@H]1OCCN(C(=O)Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 1875250781 GYODXRHKZPXEHT-FPOVZHCZSA-N 406.448 3.778 0 50 HHAA O=C(NCC1(c2c(Cl)cccc2Cl)CCC1)C(F)(F)c1cnc(O)nc1O 1875265313 FYEIWOXRPYPKRE-UHFFFAOYSA-N 418.227 3.525 0 50 HHAA COC(=O)COc1c(C)cc(C(=O)Nc2cc(-c3ccc(OC)cc3)ncn2)cc1C 1875356918 RRECCKPUKBHRNC-UHFFFAOYSA-N 421.453 3.573 0 50 HHAA CCOC(=O)c1ccc(NC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)cc1 959601 VMJRCVYAEUTQCU-UHFFFAOYSA-N 424.497 3.943 0 50 HHAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)c1C 1021594 NIPNNQPEQBIOHO-JXMROGBWSA-N 403.485 3.806 0 50 HHAA COc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1Cl 1174004 WBNLEJDRRVSUJK-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA Cc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n23)cc1 1320928 CPVNCNOMOHEQAP-UHFFFAOYSA-N 418.478 3.877 0 50 HHAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCOc1cc(C)ccc1C(C)C 2996828 CPAITHGIZYENCB-QHCPKHFHSA-N 421.541 3.842 0 50 HHAA biogenic,in-vitro COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccccc2)cc1OC 4873459 DUUMUOSRRQZFIQ-UHFFFAOYSA-N 404.466 3.929 0 50 HHAA Cc1ccccc1Cc1c(C(=O)N2CCCC2)c(=O)cc(C)n1Cc1ccncc1 11787366 ZHZAAQOOGCRATD-UHFFFAOYSA-N 401.510 3.735 0 50 HHAA COc1ccc(CN(C)Cc2ccc(C)cc2)cc1OC[C@H](O)CN1CCCCC1 11817823 NIXBEORJQDKTRN-HSZRJFAPSA-N 412.574 3.861 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CNC[C@@H]2COCCO2)cc1F 11873726 BTBLIKKXXRBIQG-LJQANCHMSA-N 411.477 3.500 0 50 HHAA CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCc4ncccc4C)C3)nc(C)c2c1 11881421 CINPZZIHIYQNDS-GOSISDBHSA-N 419.529 3.573 0 50 HHAA CCN1C(=O)C[C@@](CC(=O)N(Cc2ccccc2)CC2CC2)(c2ccccc2C)C1=O 11881930 BLHUKYANQZXAKT-SANMLTNESA-N 418.537 3.841 0 50 HHAA O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc3c(c2)CCO3)CC1 11999609 NKJYUCKWVAIBPL-UHFFFAOYSA-N 416.525 3.836 0 50 HHAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(C(=O)CCCn2cncn2)C1 12049481 WFEZDFHCYGGJTF-FQEVSTJZSA-N 420.488 3.986 0 50 HHAA O=C1CC[C@H](CCNCc2ccccc2F)N1C[C@H](c1cccnc1)N1CCCCC1 12056830 CDJVABFBWVRXFK-ISKFKSNPSA-N 424.564 3.919 0 50 HHAA O=C1CCC(CCC(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)=NN1 12057140 CAXPKGDHNCMSRY-OAQYLSRUSA-N 417.509 3.821 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(Cc2cccc(OCCO)c2)C1 12314582 WXMFNKAHJCCSQN-XMMPIXPASA-N 415.505 3.585 0 50 HHAA c1ccc(Cn2cc(CNC[C@@H]3COCCO3)c(-c3cc4ccccc4o3)n2)cc1 12440475 SKVOPWWDEMFKCH-OAQYLSRUSA-N 403.482 3.850 0 50 HHAA CCn1c(C(=O)OC)c(NC(C)=O)c2cc(N[C@H](C)Cc3ccccc3OC)cnc21 14537585 SHHBSSMTKWWMTG-CQSZACIVSA-N 424.501 3.853 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N(C)Cc1ccsc1)C2 14741612 BLMVWKQXQZGSPX-GOSISDBHSA-N 400.592 3.970 0 50 HHAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)C3=CCCCC3)CC2)cc1 14950453 QNNDUMABCGADNH-UHFFFAOYSA-N 408.502 3.808 0 50 HHAA CC[C@@H](C)C(=O)C(=O)NC[C@H]1Cc2cc(-c3ccnc(SC)n3)cc(Cl)c2O1 14991884 IXCALMQEKKMWMY-BXUZGUMPSA-N 419.934 3.554 0 50 HHAA COc1ccc(C(=O)NCc2nnc(SCc3ccncc3)n2CC(C)C)cc1 15003113 JNMHBWSJQOWGKN-UHFFFAOYSA-N 411.531 3.560 0 50 HHAA COc1ccc(CNc2ncnc3sc(C(=O)NC[C@@H]4CCCO4)c(C)c23)cc1 15071505 MGYMHDCNJQANMY-INIZCTEOSA-N 412.515 3.529 0 50 HHAA Cc1ccc2c(c1)CN(CCC(=O)N1CCC([C@H](O)c3ccccc3)CC1)C[C@H](C)O2 39354730 XPTRGIZHCYWHAA-RXFWQSSRSA-N 422.569 3.940 0 50 HHAA Cc1ccccc1-c1noc(CNC(=O)CCSc2ccc3c(c2)OCCO3)n1 65405083 NDJBOQFBZDFQPL-UHFFFAOYSA-N 411.483 3.615 0 50 HHAA O=C(Nc1ccc(Cl)cc1O)C1CCC(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1 101798898 MIKMYFBIXGOICR-NRTHSYSNSA-N 416.905 3.574 0 50 HHAA C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ncc(-c2ccccc2)o1 170631434 UZJVKMJRCAKZFS-CHWSQXEVSA-N 405.501 3.555 0 50 HHAA Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2nccs2)C1 229821184 JHUJEIXNUPPYLQ-UONOGXRCSA-N 406.939 3.783 0 50 HHAA COc1cc2cc(CNCC(C)(C)OC)c(=O)n(Cc3ccc(C)cc3)c2cc1OC 299781279 TZYLZDPAQFCCMX-UHFFFAOYSA-N 424.541 3.890 0 50 HHAA Cc1nc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)n[nH]1 436562919 CCNBXKJYXXDSAZ-UHFFFAOYSA-N 406.229 3.630 0 50 HHAA CC(C)n1nccc1C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccnn3C(C)C)c2c1 498606976 PLVMXNBDCQVKBV-UHFFFAOYSA-N 420.477 3.622 0 50 HHAA COc1ccc(CN2CCC[C@@]3(CCc4cnc(C)nc43)C2)cc1Cn1cccn1 1704312909 BFCCKOKXQZZUKP-XMMPIXPASA-N 403.530 3.518 0 50 HHAA Cc1cnc(CN(C)C(=O)C[C@@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)[nH]1 1857695421 IZQINDXGPKGSKP-AWEZNQCLSA-N 401.898 3.778 0 50 HHAA O=C1C[C@H]2N(Cc3ccccc3OC(F)F)CC[C@]23O[C@@H](c2ccccc2)CN13 1857716694 DTIBPUOSWLKIQE-KNKQGSTJSA-N 400.425 3.562 0 50 HHAA CCOc1ccc2nc(N3C[C@H](C(=O)NCC4(C(C)C)CC4)CC3=O)sc2c1 1857736697 WVGCLVDKPRDQKL-CQSZACIVSA-N 401.532 3.600 0 50 HHAA COc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)NCc2csc(C)n2)cc1 2049513356 DTJDPOXRNOUUMB-UHFFFAOYSA-N 424.478 3.994 0 50 HHAA Clc1ccc(CNc2ccc(N3CCN(C4CC4)CC3)cc2)c(-n2cncn2)c1 2325740317 DWQBFXAPMUEFID-UHFFFAOYSA-N 408.937 3.817 0 50 HHAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N(C)C)cc1 1093217 OCYABOUNMRBNGT-UHFFFAOYSA-N 408.321 3.651 0 50 HHAA COc1ccc(CN2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1 1179487 WZVQEUGVZKZGAO-UHFFFAOYSA-N 421.585 3.873 0 50 HHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)NC1CCCCC1 1196693 GVOFXANWDLTOQJ-UHFFFAOYSA-N 416.499 3.557 0 50 HHAA COc1ccc(C)cc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O 2856008 QVXGELKNPJFSTI-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA CCCC[S@@](=O)C[C@H](COC(=O)c1ccc(Cl)cc1)[S@@](=O)CCCC 5102609 NIRPRRAVLOKFOQ-WGXRPPGPSA-N 406.997 3.963 0 50 HHAA CC1(C)CC(=O)c2cc(C(=O)NCc3ccccc3)c(=O)n(-c3ccccc3)c2C1 5425596 DWLIAKQNJIGQBL-UHFFFAOYSA-N 400.478 3.923 0 50 HHAA CC(C)(C)OC(=O)NCC(=O)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 5831326 GSPHXSPIGWIKLM-UHFFFAOYSA-N 411.410 3.596 0 50 HHAA biogenic COC(=O)c1ccc(NC(=O)N2CCC(CN3CCc4ccccc4C3)CC2)cc1 6877327 PIJAFRIURCUGGR-UHFFFAOYSA-N 407.514 3.775 0 50 HHAA COc1cccc(-n2c(CN(C)Cc3cn(C)nc3C)nnc2SCC(C)C)c1 12152412 CWHSPUODCMQGAD-UHFFFAOYSA-N 414.579 3.698 0 50 HHAA COC(=O)c1cccc(C(=O)NC[C@H]2Cc3cc(-c4ncccc4C)ccc3O2)c1 12162459 VJBPTJVIWGXUKR-HXUWFJFHSA-N 402.450 3.577 0 50 HHAA CC[C@H](NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1ccncc1 12308952 YBACRWPLBWIDJV-QFIPXVFZSA-N 407.514 3.743 0 50 HHAA Cc1nn(C)cc1[C@H](C)NC(=O)CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1 14884298 AAIMURBMLFXUTI-GKVSMKOHSA-N 418.541 3.731 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(Cc3cccc(F)c3)CC2)c(Cl)c1 14959155 OUFWGRJMVXSCEV-UHFFFAOYSA-N 420.912 3.899 0 50 HHAA Cc1cc(C)cc(N2CCC(N3CCN(Cc4cccc(C)n4)[C@@H](CCO)C3)CC2)c1 19743121 RBMFTKGRPXPNFH-VWLOTQADSA-N 422.617 3.544 0 50 HHAA COc1ccc(-n2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 19821612 CLERWDBZTRNULY-UHFFFAOYSA-N 401.401 3.552 0 50 HHAA O=C(NCc1ccncc1)c1ccc(OC2CCN(Cc3nccs3)CC2)cc1 20909717 VJDZQYFWDMQPFI-UHFFFAOYSA-N 408.527 3.512 0 50 HHAA Cc1cc(C)cc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)c1 100271428 DRPOCUOIVJMZKF-QGZVFWFLSA-N 402.903 3.961 0 50 HHAA O=C(c1cccc(Cl)c1)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2 169764101 DRCGQAMJDGSGSX-UHFFFAOYSA-N 405.285 3.660 0 50 HHAA Cc1ccc(NC(=O)CC2OCCCO2)cc1S(=O)(=O)Nc1ccccc1Cl 170610188 TVXJELOPHMJGFM-UHFFFAOYSA-N 424.906 3.541 0 50 HHAA COc1cccc2c(O)c(C(=O)NCCCCCc3nc4ccccc4n3C)cnc12 217939197 OAFMJZKEBCTVQU-UHFFFAOYSA-N 418.497 3.979 0 50 HHAA biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 229486572 GBOQSYRNIXGWMN-XPGWFJOJSA-N 408.564 3.543 0 50 HHAA C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)CCC[C@H]1C 248090819 LJEWTKLIIFXBPF-ZETOZRRWSA-N 407.363 3.798 0 50 HHAA Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)/C(F)=C/c2ccccc2)CC3)n1 299767674 JHSQZKJDFLYRPG-PLDFPGSMSA-N 407.489 3.646 0 50 HHAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H]1CCc2c(Br)cccc21 437547973 KLCNRXMBCJUTGZ-OAHLLOKOSA-N 401.264 3.563 0 50 HHAA Cc1cccc(-n2nnc(C(=O)N3CCC([C@@H](O)c4ccc(F)cc4)CC3)c2C)c1 731053609 UZJITPGRBRTVRQ-QFIPXVFZSA-N 408.477 3.609 0 50 HHAA COCCCN(Cc1cccc(OC)c1)C(=O)Cc1nc2ccc(Cl)cc2[nH]1 1506424107 HKFJFYDKMBGGBG-UHFFFAOYSA-N 401.894 3.833 0 50 HHAA Cc1ccc(C(=O)CC(C)(C)CC(=O)NS(=O)(=O)Nc2ccc(F)cc2)cc1 2325840945 ZBZJZJJVQOVCCU-UHFFFAOYSA-N 406.479 3.596 0 50 HHAA Cc1ccc(-n2c(C)c(C)c3c(NC(=O)C[C@H]4COCC(C)(C)O4)ncnc32)cc1 2325879734 FZTCSFYHIINHDW-SFHVURJKSA-N 408.502 3.868 0 50 HHAA COc1cc(Br)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1O 662551 SLPXSAYHDLESEZ-AWNIVKPZSA-N 423.650 3.914 0 50 HHAA COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 1049321 XQMALKOPZUEHOQ-UHFFFAOYSA-N 416.890 3.653 0 50 HHAA O=C(NCCC1=CCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 1088844 UMMBENPKNVGSMG-JOCHJYFZSA-N 412.555 4.000 0 50 HHAA O=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 3029275 YCSSBJOKBWOAET-UHFFFAOYSA-N 407.850 3.976 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCSc3ccccc3)cc2)CC1 4807065 JQNAAYLMRZLUIJ-UHFFFAOYSA-N 418.584 3.629 0 50 HHAA Cc1ccc(OCC(=O)N2CCC3(CCC(=O)N3Cc3ccccc3F)CC2)cc1 11880621 GMNYIBVMOSKWNI-UHFFFAOYSA-N 410.489 3.697 0 50 HHAA CC(C)CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)C1 14745693 VUJVSPGGZFXPPI-VQTJNVASSA-N 411.521 3.675 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCC2 17090756 ATMJZYCOALUMSX-CABCVRRESA-N 416.543 3.905 0 50 HHAA O=C(c1ccc(-c2cccc3ccnn23)nc1)N1CCCC[C@H]1CCn1cccn1 67805977 GHTYYAAHOXOYBH-IBGZPJMESA-N 400.486 3.678 0 50 HHAA O=C(COc1ccc(F)cc1)N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169779672 NQLXBYLSLFEGMY-GOSISDBHSA-N 412.440 3.519 0 50 HHAA COc1cc(C)c(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1OC 170599575 BHTGGWLVFILRJG-INIZCTEOSA-N 408.420 3.926 0 50 HHAA CCCc1nc(C(=O)OCCCc2cncc(OCC)c2)nn1-c1ccccc1F 170609349 VDWOMPVJEDMQGJ-UHFFFAOYSA-N 412.465 3.942 0 50 HHAA COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cccc(Cl)c3)C2)c(OC)c1 170612574 ODMRTXLQISHVTQ-SFHVURJKSA-N 416.861 3.900 0 50 HHAA COC(=O)C[C@@](C)(NCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccn1 225423495 QWKIHISUOHGTNA-XMMPIXPASA-N 419.481 3.881 0 50 HHAA C[C@]12CC[C@H](O[N+](=O)[O-])C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 253501623 BWUSBASZYFDEMR-APYKUEBJSA-N 419.518 3.820 0 50 HHAA COc1cccc(CNCc2cc3ccc(C)cc3nc2N2CCC(O)CC2)c1OC 299797552 PHUWYAUMCLSICQ-UHFFFAOYSA-N 421.541 3.811 0 50 HHAA CC[C@@H]1C[C@@]1(NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)c1cccc(C)c1 410181530 RUULIXPROWGMLB-NWSQWKLXSA-N 418.603 3.721 0 50 HHAA O=C([C@@H]1CCc2c[nH]nc2C1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 463612380 MRXRGELVELDJSH-GDBMZVCRSA-N 411.893 3.624 0 50 HHAA COc1ccc2c(c1)C=C(CN1C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C1)CO2 1529167301 ITWCJAWTPUNUMO-HYBUGGRVSA-N 402.494 3.555 0 50 HHAA COc1ccccc1CCCNC(=O)C1CCN(c2nc3nc(C)ccc3o2)CC1 1857668389 DOPQREULPNYRNJ-UHFFFAOYSA-N 408.502 3.505 0 50 HHAA O=C(c1n[nH]c2c1CCC2)N1CCC2(CC1)OCCc1cc(OC3CCC3)ccc12 1857676684 LAMOGLPHMJYYPW-UHFFFAOYSA-N 407.514 3.534 0 50 HHAA O=C(Nc1ccccc1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857741322 NMXOVPUDVINOKH-QHCPKHFHSA-N 401.470 3.756 0 50 HHAA COc1ccc(COC[C@@H](O)CNCc2c(Cl)cc(Cl)cc2N(C)C)cc1 2325735292 QYQXDPMPWRVWMR-INIZCTEOSA-N 413.345 3.735 0 50 HHAA COc1cc(Cl)c(C)cc1NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 951527 BYZCMPFDONZEQS-SFHVURJKSA-N 400.862 3.916 0 50 HHAA NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cc2ccccc2oc1=O 1054606 OVURHLKBUKEZMF-UHFFFAOYSA-N 404.447 3.797 0 50 HHAA CCc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C1=O 1195452 VKOUJLZCQHFUKH-ZCOIRKDISA-N 409.485 3.792 0 50 HHAA Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)n2)cc1 4111290 KMABYDPCUMVSII-UHFFFAOYSA-N 402.410 3.876 0 50 HHAA aggregator Cn1c(SCC(=O)Nc2nnc(C3CCCCC3)s2)nnc1-c1ccccn1 6726255 ICCHCZRVBMOBPO-UHFFFAOYSA-N 415.548 3.507 0 50 HHAA O=C(Cc1c[nH]c2ccccc12)N1CCOc2ccc([C@@H](O)c3ccccn3)cc2C1 12097143 PMVQQDUYSUPWCF-RUZDIDTESA-N 413.477 3.608 0 50 HHAA CC(=O)c1cc(C(=O)N2CC[C@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)[nH]n1 12301437 VNAZKOHMCWKZRU-DEOSSOPVSA-N 408.546 3.864 0 50 HHAA OCc1ccc(CN(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)o1 14960410 REUJUSLOYQBROL-NRFANRHFSA-N 416.537 3.804 0 50 HHAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2nccs2)CC1)c1ccccc1 14970240 NWTZJCLZRFZZMN-HXUWFJFHSA-N 411.531 3.503 0 50 HHAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3CC)n2)cc1NC(C)=O 16624671 MENMVQIXCHLHTH-UHFFFAOYSA-N 418.497 3.632 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cc(C)cc(C)c3)n2)ccc1C 16625409 TVIBQICMEWMIQQ-QGZVFWFLSA-N 418.497 3.994 0 50 HHAA CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)N1CCCC1 16649221 VWOXUQDXXWAJSC-HNNXBMFYSA-N 404.557 3.684 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCC2 17090755 ATMJZYCOALUMSX-HUUCEWRRSA-N 416.543 3.905 0 50 HHAA CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 19228807 DQOORDKSNTWECD-CQSZACIVSA-N 409.408 3.700 0 50 HHAA C[C@@H]1Cc2ccccc2N1C(=O)c1cn(C)nc1C(=O)N1c2ccccc2C[C@H]1C 20616700 XRYGJMJPEGZMTI-HZPDHXFCSA-N 400.482 3.603 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)CCCc4ccccc4)CC3)nn2)nc1 72433946 YRSSVFHOTDCLTO-UHFFFAOYSA-N 416.529 3.595 0 50 HHAA O=S(=O)(c1ccccc1)n1cc(I)c2c(Cl)ccnc21 95707493 PRAMTDNFVPNNFG-UHFFFAOYSA-N 418.643 3.531 0 50 HHAA O=S(=O)(NCCCO[C@H]1CCCCO1)c1ccc(Cl)cc1C(F)(F)F 225547768 FLPQBBFFIOLTSP-AWEZNQCLSA-N 401.834 3.570 0 50 HHAA O=C(CC[C@@H]1N=C(O)N(c2ccccc2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12 252491681 LQPTZFZQEPRWHE-IBGZPJMESA-N 424.888 3.590 0 50 HHAA CNc1cc(-n2nc(C)cc2NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)ncn1 253429169 SHPCKSJQPOLDNU-NSHDSACASA-N 421.288 3.725 0 50 HHAA COc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccc(OC)cc3)C4)n2)cc1 263617178 MMHSMQBVBJOSJL-LJQANCHMSA-N 404.426 3.889 0 50 HHAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)N3CCc4ccccc4C3)C2=O)cc1 409414038 IEVNMRQIOJAFRG-OAQYLSRUSA-N 405.498 3.600 0 50 HHAA CC(C)c1c(NC(=O)N2CC[C@@H](N3CCCC3=O)C2)cnn1-c1ccccc1Cl 485199707 ZTIYDAYJVHZFRO-OAHLLOKOSA-N 415.925 3.878 0 50 HHAA C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 755675106 ADTAYOIEOAFVBS-LBPRGKRZSA-N 401.429 3.907 0 50 HHAA O=C(C1CCN(Cc2cnn(-c3ccccc3F)c2)CC1)N1CCc2ccccc2C1 827972688 OTPNLKBQWQWKRX-UHFFFAOYSA-N 418.516 3.808 0 50 HHAA CC[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)CCN1C(C)C 952980144 FPVUSZDFPWYGCK-HXUWFJFHSA-N 414.571 3.605 0 50 HHAA O=C(Nc1ccc(N2CCCC2)c2ncccc12)[C@H]1CCCN(C2CCOCC2)C1 952987645 OYXMOZMQCUEAGY-SFHVURJKSA-N 408.546 3.665 0 50 HHAA O=C(c1ccco1)N1CCCN(C(=O)c2ccccc2OC(F)(F)C(F)F)CC1 1506400289 BWXPVKKSHYAGCZ-UHFFFAOYSA-N 414.355 3.505 0 50 HHAA CCc1sc(-c2nnc(CN3CCC[C@@H](C(=O)NCC(F)(F)F)C3)o2)cc1C 1875261002 YYPAQGSLAZVVHT-GFCCVEGCSA-N 416.469 3.559 0 50 HHAA C[C@@]1(n2nc(C3CCC3)nc2-c2ccc(N3CCCCC3)cc2)CCS(=O)(=O)C1 1875349042 KXWWUGKSKKRTRD-JOCHJYFZSA-N 414.575 3.737 0 50 HHAA COc1cccc(F)c1C(=O)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356143969 DWXHVWDVAMUSNH-DEOSSOPVSA-N 410.489 3.674 0 50 HHAA Cc1cc([C@H]2CCCCN2C(=O)c2cc3c(s2)CCOC32CCNCC2)no1 2356159063 KBRXXBUTXQLBOT-QGZVFWFLSA-N 401.532 3.563 0 50 HHAA CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccccc2)cc1 912514 ZSDGTVPVBOBORQ-UHFFFAOYSA-N 416.543 3.683 0 50 HHAA CC(C)C(=O)NC(=S)Nc1ccc(I)cc1C(F)(F)F 1115876 KWTMWMPRSDLIEJ-UHFFFAOYSA-N 416.206 3.779 0 50 HHAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc(SC)c3)CC2)c1 1156861 KFJUECOZRULZTN-UHFFFAOYSA-N 414.527 3.917 0 50 HHAA Cc1ccc2c(c1)CN(CCC(=O)NCC1CCN(C3CCCC3)CC1)C[C@@H](C)O2 11788670 KLDQRNZVWFVSJI-HXUWFJFHSA-N 413.606 3.739 0 50 HHAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12)NCc1cccc(Cl)c1 11933227 GMOVCRIBYMJYAD-JOCHJYFZSA-N 421.928 3.500 0 50 HHAA CCn1cc(C(=O)N2CCc3ccc(NC(=O)CCc4ccc(C)cc4)cc3C2)cn1 12431066 AJWSOZFUECBLGQ-UHFFFAOYSA-N 416.525 3.981 0 50 HHAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2)CC1 12592776 NKHNFAFWXYKQHZ-HSZRJFAPSA-N 422.525 3.510 0 50 HHAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 17082043 UCXROYUTOBKGIJ-KRWDZBQOSA-N 400.544 3.914 0 50 HHAA CCN(C[C@H]1CCCO1)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67491073 CYSXQNYTOKBZDL-OAQYLSRUSA-N 411.546 3.770 0 50 HHAA CN1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 169302668 QHOFUTURFHYTTR-LZYPDUGYSA-N 410.473 3.825 0 50 HHAA O=C(Cn1nc(-c2cccs2)ccc1=O)N[C@H]1CCCc2c1[nH]c1ccccc21 169774005 QNRHHSYWZQDLRB-SFHVURJKSA-N 404.495 3.647 0 50 HHAA CCCC[S@@](=O)C[C@H](C[S@@](=O)CCCC)OC(=O)c1ccc(Cl)cc1 239309803 HVXDLHQNVDJEKJ-CEKQEDFLSA-N 406.997 3.963 0 50 HHAA Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)c2C(N)=O)cc1 245226180 JUHWREYUZFFWHQ-UOVPBQLFSA-N 424.522 3.982 0 50 HHAA O=C(CN1C(=O)c2cc3ccccc3cc2Oc2ncccc21)NCCc1ccncc1 253412803 SCBPRRXTMJKITQ-UHFFFAOYSA-N 424.460 3.741 0 50 HHAA COC(=O)c1cn(C[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc2c(=O)[nH]nc1-2 263588602 WCIIGSZZFUPDGL-GOSISDBHSA-N 412.449 3.776 0 50 HHAA O=C([C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 475467469 NQUGTUPODPSFQI-HMULQKHDSA-N 419.500 3.976 0 50 HHAA Cc1cc(C)c2c(c1)CN(C(=O)[C@H]1CCCN(C(=O)c3ccc4n[nH]cc4c3)C1)CC2 485579382 LSWVVILIMWJMER-IBGZPJMESA-N 416.525 3.617 0 50 HHAA COC[C@H]1CCCN(S(=O)(=O)N(CCC2=CCCCC2)Cc2ccccc2)C1 1506420984 RQGHIZFMDGMHSJ-QFIPXVFZSA-N 406.592 3.982 0 50 HHAA Cc1ccsc1CNc1cccc(C(=O)N2CCN(CC(C)C)[C@H](CCO)C2)c1 1506425740 GXTRWTOOGADWKA-OAQYLSRUSA-N 415.603 3.833 0 50 HHAA COc1ccccc1-c1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1 1529142479 OUDAAXKDXCLQNL-DNQXCXABSA-N 403.478 3.937 0 50 HHAA C[C@H](NC(=O)N[C@H](C(=O)O)[C@H]1CCCOC1)c1ccc(-c2ccc(F)cc2)cc1 1776004232 IGJSGHPYGLFICS-DCPHZVHLSA-N 400.450 3.733 0 50 HHAA C[C@@](NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)(C(=O)O)c1ccccc1 1875333645 FUXOEXVIFVQRGA-IBGZPJMESA-N 404.253 3.909 0 50 HHAA O=C(/C=C/c1ccccc1)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C1CCCC1)C[C@H]2O 2100540256 GHTSNTJQHXRJOV-LZUDUAOISA-N 416.565 3.835 0 50 HHAA c1ccc(CN=c2[nH]c(N3CCCN(c4nccs4)CC3)nc3ccccc23)cc1 2325866712 XGEJOBWPHOBIEM-UHFFFAOYSA-N 416.554 3.837 0 50 HHAA C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(COc3ccccc3Cl)n21 2356154360 SBKXNXABPFPWCP-ZDUSSCGKSA-N 400.841 3.753 0 50 HHAA COc1ccccc1OCc1ccc(C(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)cc1 652911 LJFJAJZRFQMHBU-LJQANCHMSA-N 408.376 3.747 0 50 HHAA O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 670977 QIXSJEWWWXEKSM-UHFFFAOYSA-N 408.907 3.532 0 50 HHAA O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 791985 OPHPXUHKGLEBIG-KRWDZBQOSA-N 410.967 3.747 0 50 HHAA COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cc(=O)oc2cc(OC)ccc12 1075891 ONRPNDBVAORKSQ-KRWDZBQOSA-N 400.814 3.985 0 50 HHAA O=C(NCCC1=CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 1088842 UMMBENPKNVGSMG-QFIPXVFZSA-N 412.555 4.000 0 50 HHAA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(O)c2)c(Cl)cc1Cl 1136174 FQBABZCTVVAYSA-UHFFFAOYSA-N 417.314 3.982 0 50 HHAA CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(I)cc1 2886375 YONDSOSPAFCLAT-UHFFFAOYSA-N 408.239 3.682 0 50 HHAA CC(=O)c1ccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)cc1 2941571 OPQPHSPIEYYNKP-UHFFFAOYSA-N 410.385 3.858 0 50 HHAA CCOC(=O)c1c(NC2=NS(=O)(=O)c3ccccc32)sc2c1CC[C@H](C)C2 3272754 UEIXGTSTCZQVRY-NSHDSACASA-N 404.513 3.611 0 50 HHAA COc1cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c(OC)cc1Cl 7312897 SPOQSVNOFJUAGW-UHFFFAOYSA-N 408.907 3.910 0 50 HHAA COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3cc(F)ccc3C)c2C)cc1 11817688 RXNLCVBURCOPOS-CQSZACIVSA-N 403.479 3.676 0 50 HHAA COC(=O)c1cccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccc(OC)cc3)C2)c1 12708592 PJWCSHKOADDQGJ-HXUWFJFHSA-N 424.541 3.509 0 50 HHAA COc1cccc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccnn3C)c2)c1 12718515 NFTRPGYAVRFOEW-NRFANRHFSA-N 418.497 3.729 0 50 HHAA CCn1cc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)cn1 14955646 OJMWEXKMZSBYKU-AREMUKBSSA-N 422.617 3.763 0 50 HHAA Cc1nc(CCNCc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)sc1C 19744855 KBMXKIKABPHRRQ-UHFFFAOYSA-N 411.575 3.674 0 50 HHAA Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(N2c3ccccc3C[C@H]2C)n1 35655392 QSNDWCSNSWAIGD-OAHLLOKOSA-N 402.502 3.608 0 50 HHAA COCCCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)c(COC)nn32)c1=O 40397754 LRYKKEBWEBJBNH-UHFFFAOYSA-N 412.877 3.548 0 50 HHAA COc1ccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc1OC 169753518 SHJNANLJRROOEV-SFHVURJKSA-N 424.476 3.632 0 50 HHAA O=C(c1ccco1)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1cnc2ccccc2n1 241588064 OZGYUPAHMWBLPG-IBGZPJMESA-N 412.405 3.943 0 50 HHAA CCOc1cccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)c1 263615974 GILZHKROOBMEPM-IBGZPJMESA-N 412.877 3.532 0 50 HHAA COc1csc(C(=O)NCc2ccc(CNC(=O)c3cc(OC)cs3)cc2)c1 496582927 ORTRNGBZWPTFAJ-UHFFFAOYSA-N 416.524 3.687 0 50 HHAA C[C@@H](CNC(=O)c1ccc(N2CCOCC3(CCC3)C2)nc1)c1nc2ccccc2o1 1875361389 YUTZBDXTSODUQO-KRWDZBQOSA-N 420.513 3.763 0 50 HHAA CS(=O)(=O)c1ccc(CC(=O)Nc2cccnc2Oc2ccccc2F)cc1 2356164093 FFBTVCRDWHRFBK-UHFFFAOYSA-N 400.431 3.598 0 50 HHAA O=C(O)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)cc1 754749 OJOJQNVPASBTBQ-UHFFFAOYSA-N 404.378 3.588 0 50 HHAA biogenic O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccc2c(c1)OCO2 807939 UCDCNUGIXHXJMX-UHFFFAOYSA-N 418.474 3.979 0 50 HHAA aggregator CCOc1ccc(N2C(=O)C[C@H](Sc3nc(C)c4cc(OC)ccc4n3)C2=O)cc1 921867 QGQFZCANIUJKSK-IBGZPJMESA-N 423.494 3.770 0 50 HHAA Cc1cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)ccc1NC(=O)c1cccs1 1140448 SHRMXZGYXSEUKZ-UHFFFAOYSA-N 406.419 3.808 0 50 HHAA COCc1cc(C)nc2sc3c(c12)N[C@@H](c1ccc(Br)o1)NC3=O 1446031 OFLXKEAKKCEXGL-CQSZACIVSA-N 408.277 3.961 0 50 HHAA Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4ccccc4Br)nc3c12 2791772 UOBBPZCGZYFXSD-UHFFFAOYSA-N 416.304 3.779 0 50 HHAA COc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 2966370 DKSPUQPQJPBKBH-GOSISDBHSA-N 424.522 3.768 0 50 HHAA CC[C@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 2995546 XUCVZCBINHQPIJ-INIZCTEOSA-N 408.951 3.754 0 50 HHAA COCc1nc2cccnc2n1C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 12240577 FRDWZWWZCITRNN-UHFFFAOYSA-N 416.884 3.776 0 50 HHAA Cc1ccccc1CSc1nnc([C@H](C)NC(=O)Cc2ccc3c(c2)OCO3)n1C 12450100 SVPVWDWDZQHCHR-HNNXBMFYSA-N 424.526 3.564 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C(C)C)nn2C)C1 12612626 IGRRSEUHSOTSOG-HSZRJFAPSA-N 415.509 3.711 0 50 HHAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)C(=O)c2ccccc2)CC1 12752082 OIVFAPCFPNWROQ-UHFFFAOYSA-N 413.901 3.937 0 50 HHAA Cn1c(SCCc2ccccc2)nc2ccc(I)cc2c1=O 16474568 VLLFPHMOUYILQS-UHFFFAOYSA-N 422.291 3.873 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 17082488 UDLVDBPNXKKGGT-ZIAGYGMSSA-N 402.516 3.515 0 50 HHAA CCSc1nnc(-c2ccccc2NC(=O)c2sc(CC)nc2C)c(=O)[nH]1 55386025 NOIFRYSVLXLHLM-UHFFFAOYSA-N 401.517 3.524 0 50 HHAA CC(C)(C)CN1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@H]1CCO 104367791 UYRROJFNQPSPQD-HXUWFJFHSA-N 402.970 3.712 0 50 HHAA O=C(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cc2c(s1)CCOC2 478470085 DCZHECSWCSBWAN-CYBMUJFWSA-N 405.825 3.956 0 50 HHAA O=C1Nc2ccccc2[C@@H]1C1CCN(c2nc(-c3cccnc3)nc3c2CCC3)CC1 488384072 HJOJKUGNYDAOPM-QFIPXVFZSA-N 411.509 3.980 0 50 HHAA Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H](C)C[C@@H](O)c1ccccc1)CC2 762688898 CTLXKTMAZLRGLR-CDHAZOANSA-N 407.436 3.537 0 50 HHAA Cc1ccccc1NC(=O)CCNC(=O)c1cc2ccc(OC(C)C)cc2oc1=O 828075111 MBMOYDZJTFZXHH-UHFFFAOYSA-N 408.454 3.647 0 50 HHAA O=C(NCc1cnnn1-c1ccccc1)c1ccc(Sc2ccccc2Cl)nn1 1875257613 RYJQXOSKLSNIGN-UHFFFAOYSA-N 422.901 3.792 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCC(Cc3nc(C(C)(C)C)cs3)CC2)CC1 1875371954 RFSOTPZUUIOPLH-UHFFFAOYSA-N 403.592 3.646 0 50 HHAA O=C1CCNc2cc(C(=O)N[C@H]3CCc4ccc(Br)cc43)ccc2N1 2325829172 BGULZNJYIFIERU-HNNXBMFYSA-N 400.276 3.621 0 50 HHAA Cc1ccccc1[C@H](NS(=O)(=O)c1c[nH]c(=N)c(C)c1)c1ccc(Cl)cc1 2325877442 RJARSTBZNIJSEC-LJQANCHMSA-N 401.919 3.832 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1Cl 812021 MLXKWHRPHGFORS-UHFFFAOYSA-N 415.921 3.906 0 50 HHAA Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(Br)cc3F)nc2n1 1003032 JFOACDMHHFXVNE-UHFFFAOYSA-N 400.158 3.524 0 50 HHAA COC(=O)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1 1060610 XHKTVIXQNWYUHG-KRWDZBQOSA-N 415.902 3.558 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 1127663 BDCCEONTXRGODF-UHFFFAOYSA-N 411.321 3.732 0 50 HHAA C[C@H](C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 1150643 ZPAIWWPSUVOWMW-MRXNPFEDSA-N 413.429 3.764 0 50 HHAA C[C@@H]1CCCN(CN2C(=O)C3(OCC(C)(c4ccccc4)CO3)c3ccccc32)C1 1158145 OKRRBOGZWHJKNJ-PNEAOOGRSA-N 406.526 3.880 0 50 HHAA COc1ccc([C@@H](CC(=O)O)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC 3626815 DJWYQGXRSVXQRK-MRXNPFEDSA-N 421.877 3.685 0 50 HHAA O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Br)cc1F 5126956 QOCHQCVPEUJRBZ-UHFFFAOYSA-N 408.252 3.556 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc(Cl)c2)c(OC)c1 8742764 MMXTVHZCOYJJHH-GOSISDBHSA-N 417.918 3.789 0 50 HHAA COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)N2CCC4CC2)c(OC)c1 8763211 HSAFVJHEPMFPKA-UHFFFAOYSA-N 410.499 3.845 0 50 HHAA O=C(c1cn(C[C@@H]2CCCN(Cc3cc4ccccc4s3)C2)nn1)N1CCCC1 11872188 BYKFZAPPYQAUTI-QGZVFWFLSA-N 409.559 3.641 0 50 HHAA CN(Cc1cccnc1)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 11937658 UDIJYKSTZDGGFN-UHFFFAOYSA-N 404.514 3.797 0 50 HHAA COc1ccc(C(=O)N[C@H](C)Cc2ccccn2)cc1OC1CCN(C(C)C)CC1 12448256 FHLVOZBERTUZSC-GOSISDBHSA-N 411.546 3.703 0 50 HHAA Cc1ccsc1CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 14998160 MKKXQXYHBZGIAG-GOSISDBHSA-N 423.586 3.516 0 50 HHAA Cc1ccc(-c2cccc(-c3ccn(Cc4ccc(S(C)(=O)=O)cc4)n3)c2)nn1 19146542 JPYNBWLOFCSSIS-UHFFFAOYSA-N 404.495 3.767 0 50 HHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1 19223751 CIAVUDHLEUWCPN-DEOSSOPVSA-N 418.585 3.805 0 50 HHAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2C)C1 95518643 AKRVFIWXLHMBBF-OAHLLOKOSA-N 400.910 3.992 0 50 HHAA O=C(CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)Nc1cccc(Cl)c1 100313738 POEVHOBDHGERIS-HNNXBMFYSA-N 409.294 3.997 0 50 HHAA CC(C)c1ccc(NC(=O)c2ccc(CN3C(=O)NC4(CCOCC4)C3=O)cc2)cc1 169773459 TUUSUYLBOAJQBB-UHFFFAOYSA-N 421.497 3.663 0 50 HHAA CCCc1ccc(-c2nc(NC(=O)[C@@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)sc2C)cc1 245227340 CXUDFBFMYVQCIC-WCXIOVBPSA-N 400.500 3.888 0 50 HHAA C[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)C1=O 252444097 MZAQCTGHSWQNAB-HTAPYJJXSA-N 424.501 3.997 0 50 HHAA Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 252517272 DLNOKYGRVGZEJE-RCCFBDPRSA-N 408.329 3.803 0 50 HHAA COC(=O)c1cccc(NC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)c1 253370160 NAMYNPZIGRLNHM-BLKABHOGSA-N 409.530 3.900 0 50 HHAA COC(=O)c1ccc([C@H]2CC(=O)Oc3c2c(C)cc2oc(=O)c4c(c32)CCC4)cc1 263586517 VEMYRHROOUXOFI-QGZVFWFLSA-N 404.418 3.818 0 50 HHAA biogenic COc1cccc(-c2cc3n(n2)[C@H](NCc2ccc(C(F)(F)F)cc2)CNC3=O)c1 263617099 MBDMURZPVFYGGW-IBGZPJMESA-N 416.403 3.609 0 50 HHAA COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)c3cccc(C(N)=O)c3)C2)n1 470416582 VZSCWFCLQZSEAA-QGZVFWFLSA-N 421.522 3.937 0 50 HHAA CSCCCCCCNC(=S)NNc1nc(-c2ccncc2)nc(C)c1C 782201866 FZVSPKVNAQJOGH-UHFFFAOYSA-N 404.609 3.870 0 50 HHAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1cc(-c2ccno2)ccc1C 1857680849 WTNMBTFBMGEIHS-LDQXTDLNSA-N 418.515 3.535 0 50 HHAA Cc1cc(CN(C)C(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)ccc1Br 1875317783 DVTKMXWAFSCBJW-SFHVURJKSA-N 415.331 3.878 0 50 HHAA CCOC(=O)C1=C(CN2c3ccccc3CC[C@H]2C)NC(=O)N[C@H]1c1ccccc1 2332237320 MHDFYGKEWUNZAB-ZHRRBRCNSA-N 405.498 3.699 0 50 HHAA COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1OC 780141 DGTKHPCPOKSBFR-VWLOTQADSA-N 417.461 3.711 0 50 HHAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cccc(O)c2)cc1OC 854912 FOHGAKMGWGLFFL-DEDYPNTBSA-N 418.449 3.819 0 50 HHAA COc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)cc1 1097992 RFDBLKVIZJCXJW-UHFFFAOYSA-N 403.434 3.916 0 50 HHAA CCc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1 1108422 HZESPRDRWVTGIR-UHFFFAOYSA-N 408.321 3.607 0 50 HHAA COC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 1207166 OKHPWCVCRRMORN-UHFFFAOYSA-N 411.479 3.877 0 50 HHAA Cc1nn(CCc2nc3c4c(C)c(C)sc4ncn3n2)c(C)c1Br 2808629 LVQGHQCAFKSRAG-UHFFFAOYSA-N 405.325 3.774 0 50 HHAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2ccccc2N(C)C)cc1 11936946 DKNWEQDSKMUCPR-UHFFFAOYSA-N 409.574 3.788 0 50 HHAA CN1CCN(C(=O)CC[C@H]2CCCN(Cc3ccc(OC4CCCC4)cc3)C2)CC1 12072556 JMUUVSQBKAAQEE-OAQYLSRUSA-N 413.606 3.774 0 50 HHAA Cc1c(C(=O)NCc2ccccc2F)sc2ncnc(NC[C@@H]3CCCO3)c12 12132021 WFHIKVYBGSUKRL-AWEZNQCLSA-N 400.479 3.660 0 50 HHAA COCc1cc(CN(C)C(=O)c2csc3nc(-c4cc(C)ccc4C)cn23)n[nH]1 12316781 JEFYFFYGTUYKCQ-UHFFFAOYSA-N 409.515 3.821 0 50 HHAA O=C(NC[C@H]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1)c1cccnc1 12472141 CPKNGGULBGWQRE-CQSZACIVSA-N 406.408 3.774 0 50 HHAA O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1Cc1ccc(-n2cccn2)cc1 12510068 UKBGZPFPLRNRBM-OAQYLSRUSA-N 422.504 3.561 0 50 HHAA CCCCN(C(=O)c1cc(C(F)(F)F)nn1C)c1nc(C)c(C(=O)OCC)s1 13961262 STZFCSYTOCBHKQ-UHFFFAOYSA-N 418.441 3.827 0 50 HHAA O=C(c1ccccc1N1CCCC1)N1CCC(CO)(CCOc2ccccc2)CC1 20598760 QWQFGANPPUWHPL-UHFFFAOYSA-N 408.542 3.971 0 50 HHAA O[C@@H](COc1ccc(Cl)cc1CNCCc1ccccn1)CN1CCCCCC1 23338569 CPNVNDZHIZXZEC-JOCHJYFZSA-N 417.981 3.683 0 50 HHAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(=O)O 67642890 HKNGCSRXPQGFDM-NRFANRHFSA-N 400.438 3.797 0 50 HHAA Cc1cccc2nc(C(=O)N3CCC4(CC3)C[C@@H](c3ccccc3)CN(C)C4)cn12 96136162 CCELZQFVLMHBPK-OAQYLSRUSA-N 402.542 3.984 0 50 HHAA COc1cc(NC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)cc(OC)c1 170614518 NYQFFWVOAXLMOK-OALUTQOASA-N 408.420 3.953 0 50 HHAA O=C([C@H]1COc2ccccc2O1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 170622645 OSWSQQPQCGUXCE-QZTJIDSGSA-N 412.244 3.872 0 50 HHAA Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)CC2)cc1 239235601 WHGUELHYNSHDCW-SZWXDXEVSA-N 404.510 3.545 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 245309782 GIGPECARGLMMHZ-WTGUMLROSA-N 410.832 3.584 0 50 HHAA O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 257199272 XXEFNKUKVVUJPS-YDLSIGKMSA-N 403.530 3.507 0 50 HHAA CC(C)c1cccc(-c2ccc(C(=O)Oc3ccc(C(=O)NCC(N)=O)cc3)o2)c1 776522368 KXNRTLKVCYQMMQ-UHFFFAOYSA-N 406.438 3.504 0 50 HHAA COC(=O)Nc1cc(C(=O)NCc2ccc3c(=O)cc[nH]c3c2)cc(C(F)(F)F)c1 819564533 QDXJDRJENJQCAY-UHFFFAOYSA-N 419.359 3.655 0 50 HHAA CCN1CCN(c2ccc(NC(=O)c3cnn(C)c3-n3c(C)ccc3C)c(C)c2)CC1 919983129 MRKUTLHPEJKJGC-UHFFFAOYSA-N 420.561 3.530 0 50 HHAA COc1ccc(-c2nccn2CC[C@@H]2CCCN3CCCC[C@H]23)c(C(=O)O)c1OC 1857709022 ZYVIHHIACWOQBV-FUHWJXTLSA-N 413.518 3.920 0 50 HHAA COc1ccc(COC[C@H](O)CNCc2c(Cl)cc(Cl)cc2N(C)C)cc1 2325735293 QYQXDPMPWRVWMR-MRXNPFEDSA-N 413.345 3.735 0 50 HHAA COc1ccc(NC2(C(=O)N3CCC4(CC3)C[C@@](C)(O)CCO4)CCCCC2)cc1 2356157424 KCLKLWHBYCCGLR-QFIPXVFZSA-N 416.562 3.733 0 50 HHAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)n2ncnc2N1 1059138 NVJJCLRIMRVHIG-GOSISDBHSA-N 413.403 3.902 0 50 HHAA O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccc(Cl)cn1 1208299 VMNIEIFUGQVSIE-UHFFFAOYSA-N 403.781 3.704 0 50 HHAA COc1cc(NC(=S)NCCc2ccc(OC)c(OC)c2)c(OC)cc1Cl 2852896 LTBXDDSLCDEMQE-UHFFFAOYSA-N 410.923 3.904 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)NC(C)(C)C)c(C)cc2C)cc1 4844945 XLJZQPRUAYQBPM-UHFFFAOYSA-N 424.588 3.514 0 50 HHAA O=C(c1ccccc1OC1CCN(Cc2ccc3c(c2)OCCO3)CC1)N1CCCC1 12304063 JTZJOXZATSSKAT-UHFFFAOYSA-N 422.525 3.737 0 50 HHAA CCc1ccc(CNC(=O)CCc2nnc(Cc3cccc(C(F)(F)F)c3)o2)nc1 12319374 NTBLMQBEPZACPN-UHFFFAOYSA-N 418.419 3.886 0 50 HHAA Cc1ccc(OCc2cc(C(=O)NCCc3ccc(C(F)(F)F)cc3)no2)cn1 12320786 HNAKEOIPISDIJS-UHFFFAOYSA-N 405.376 3.948 0 50 HHAA CCOC(=O)N1CCN(C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)CC1 12387191 NGJDKOBPUWHSQX-UHFFFAOYSA-N 407.470 3.527 0 50 HHAA COCCN(C)C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C1CC1 14998702 UCMIKZKCNAFCLI-UHFFFAOYSA-N 411.531 3.603 0 50 HHAA O=C(NCc1nc(-c2cccs2)no1)C1CCN(Cc2ccc(Cl)cc2)CC1 67601849 GHGSHTKCOFKISR-UHFFFAOYSA-N 416.934 3.980 0 50 HHAA O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc(F)c(Cl)nc1Cl 170624815 QGWGODGWRQXASM-NSHDSACASA-N 402.640 3.716 0 50 HHAA Cc1cccc(OCCNC(=O)[C@@H](C)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 229750859 JVXJIGPPPPWFGE-DYESRHJHSA-N 402.922 3.605 0 50 HHAA O=C(c1ccc2nccnc2n1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 240871441 IKOQFKQLMRRKCM-MRXNPFEDSA-N 407.232 3.684 0 50 HHAA CC(C)Cn1nc(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c2ccccc2c1=O 433537395 DSCUUWLSTMYDCE-IERDGZPVSA-N 405.498 3.517 0 50 HHAA C[C@H]1C[C@H](NC(=O)N(C)CC2(c3ccccc3)CC2)c2ccsc2S1(=O)=O 462624771 UWNGFSCOFSEZAX-YOEHRIQHSA-N 404.557 3.728 0 50 HHAA Cc1nc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c(Cl)cc1Cl 481991224 QYYBHJMKCQMSTN-UHFFFAOYSA-N 416.208 3.834 0 50 HHAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)Nc1ccccc1N1C(=O)N[C@@H](C)C1=O 952979246 NCGRRWVRPCJNLF-HNNXBMFYSA-N 404.470 3.719 0 50 HHAA CSCC(=O)N1C[C@H]2CN(Cc3cccnc3C)C[C@@]2(CCc2ccccc2)C1 1772709233 JIGFQSAUOLAIHU-VWNXMTODSA-N 409.599 3.646 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2Cc3cccc(Br)c3C[C@@H]2CC)CC1 1875365692 PLUUTIMZFFWESM-INIZCTEOSA-N 405.336 3.537 0 50 HHAA O=C1C[C@H](C(=O)Nc2ccnn2Cc2ccccc2C(F)(F)F)C2(CCCC2)O1 2100483574 FQANMBUDQKPBHV-OAHLLOKOSA-N 407.392 3.765 0 50 HHAA Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1S(=O)(=O)NC1CCCCC1 1196284 ATJOLBPWZKCXCL-UHFFFAOYSA-N 416.499 3.557 0 50 HHAA CCCCc1ccc(NC(=S)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 2836237 DKRGCEPEYONZKV-UHFFFAOYSA-N 402.608 3.532 0 50 HHAA Cc1ccc(OCC(=O)Oc2cccc(NC3=NS(=O)(=O)c4ccccc43)c2)cc1 2841731 HQAWTNFEQCODPX-UHFFFAOYSA-N 422.462 3.540 0 50 HHAA O=C1CS[C@H](c2ccc3c(c2)OCO3)c2c(O)nn(C3CCCCCC3)c2N1 5763988 LFUROAGGFLAUGN-GOSISDBHSA-N 401.488 3.987 0 50 HHAA O=C(c1cc(F)ccc1F)[C@H]1CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 11874637 MWXDPJRLNARLHT-INIZCTEOSA-N 412.436 3.827 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@@H]1CC=CCC1 12205255 ZVFMLXVAQNPHBS-OAQYLSRUSA-N 400.563 3.739 0 50 HHAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCC[C@@H](OC)C2)c1 12315291 VABJGRVRCLEJOF-OAQYLSRUSA-N 416.562 3.732 0 50 HHAA CCC[C@H]1C[C@H]1C(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1 12431839 DZBLYVQRGAEDPV-LADGPHEKSA-N 412.622 3.653 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCC[C@H](OCc4ccccc4)C3)n2)cc1 12702061 RBBPOUPXKMMYKU-FQEVSTJZSA-N 407.470 3.704 0 50 HHAA CC[C@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccc(OC)cc1 14750637 BEGZQFDSXPYPFH-IBGZPJMESA-N 415.578 3.791 0 50 HHAA COc1cccc(CC(=O)N(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)c1 14948368 QYFRNLZCTXPFRS-XMMPIXPASA-N 414.590 3.900 0 50 HHAA COc1ccc(NC(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)cc1Cl 15078233 WRUKRBKAGSRKIM-SFHVURJKSA-N 402.926 3.914 0 50 HHAA COc1cccc(-n2cc(CN(C)Cc3nc(CCc4ccccc4)no3)cn2)c1 19744339 MOUAOTWDYQXRDV-UHFFFAOYSA-N 403.486 3.681 0 50 HHAA c1ccc(N2CCN([C@H]3CCCN(Cc4cnn(-c5ccccc5)c4)C3)CC2)cc1 20908875 XMMHMPYAMMSWSM-VWLOTQADSA-N 401.558 3.659 0 50 HHAA C(=C/c1ccccc1)\CN1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23374658 JIGSNCQNCGVDRW-LHLOKTHNSA-N 419.569 3.711 0 50 HHAA CC(=O)c1cccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)c1 33088996 CUOOZHOSUGQZFI-UHFFFAOYSA-N 411.255 3.775 0 50 HHAA COCc1nn2c(nnc3c(=O)n(C4CCCCC4)ccc32)c1-c1ccc(F)cc1 40392158 HMOBIYQBHFFCKQ-UHFFFAOYSA-N 407.449 3.897 0 50 HHAA COc1ccc(Cl)cc1C(=O)N[C@H]1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169754140 FXSCNHAEHSQLSV-INIZCTEOSA-N 414.868 3.887 0 50 HHAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 242288023 YKLJRYBBRRINSG-RECNLTAPSA-N 407.580 3.502 0 50 HHAA O=C(COc1ccc(CN2CCOc3ccc(Cl)cc3C2)cc1)N1CCCC1 952972313 GHIOMRJYWZXVQN-UHFFFAOYSA-N 400.906 3.736 0 50 HHAA CC(C)[C@H](NC(=O)CN[C@@H](C)c1cnn(C2CC2)c1)c1ccc2c(c1)OCCCO2 1875316541 YJHLQBKKJJQOIN-HJPURHCSSA-N 412.534 3.543 0 50 HHAA CC[C@H](O)c1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)n(-c2cccc3nc[nH]c23)n1 2325872583 DYCCSCKLCLTJLE-SFHVURJKSA-N 416.485 3.508 0 50 HHAA CCc1oc(C(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)cc1CN(CC)CC 2356155714 KOYPFIOGCITFFH-XMMPIXPASA-N 410.562 3.902 0 50 HHAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 675485 AJDYRXRGBRBGMH-UHFFFAOYSA-N 410.495 3.525 0 50 HHAA CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 1131039 YKWKMDMDOURQMR-UHFFFAOYSA-N 420.947 3.690 0 50 HHAA COC(=O)CSc1nc2ccc(NC(=O)CSc3ccccn3)cc2s1 2981770 OQKVSTNPUQMVDO-UHFFFAOYSA-N 405.526 3.687 0 50 HHAA COc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccc(OC3CCCC3)cc2)cc1 4689795 KCMQZLIVXHMEQT-HXUWFJFHSA-N 419.499 3.511 0 50 HHAA COc1ccc(C(=O)NC[C@@H](C)OC23CC4CC(CC(C4)C2)C3)c(OC)c1OC 4694827 APQBNQDTWHNATD-KWJFTMPMSA-N 403.519 3.816 0 50 HHAA CCOC(=O)c1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)nc1-c1ccccc1 5510623 PPZCCVUBFFFPBO-ZIAGYGMSSA-N 402.472 3.816 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)COc3ccc(C(C)=O)cc3)C2)cc1F 11661912 JSIIXMWHPDHWHG-GOSISDBHSA-N 413.445 3.537 0 50 HHAA O=C([C@@H]1CC12CCN(Cc1ccc3c(c1)CCO3)CC2)N1CCc2ccccc2C1 12122648 XKHUYWXIFANGTN-QHCPKHFHSA-N 402.538 3.809 0 50 HHAA Cn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(COc2cccc3cccnc23)on1 12315760 HBJPENHMLHBIAF-IBGZPJMESA-N 417.469 3.903 0 50 HHAA COc1ccc(-n2ncc([C@H](C)NC3CCN(Cc4ccccn4)CC3)c2C)cc1 12430698 VCPSIEKAXFTQFG-SFHVURJKSA-N 405.546 3.900 0 50 HHAA Cc1c(CNC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cnn1C 13124037 FLCAKRDBVIFPKO-IRXDYDNUSA-N 418.423 3.515 0 50 HHAA CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccsc3)CC2)C1=O 14745510 GXNYUHHJSAJDKQ-UHFFFAOYSA-N 411.571 3.998 0 50 HHAA COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc(OC)cc1)N2Cc1ccccc1 19874970 JVECAYJEFUYVLB-JOCHJYFZSA-N 403.482 3.994 0 50 HHAA COc1ccc(C(=O)N(C)C[C@@H]2CCCCO2)cc1OC1CCN(C(C)C)CC1 20601361 FRQBEIIIKFSJOM-FQEVSTJZSA-N 404.551 3.588 0 50 HHAA Cc1ccccc1CN1CCN(C2CCN(Cc3ccccc3)CC2)C[C@@H]1CCO 23375257 UNZKDBYGEMLSCD-SANMLTNESA-N 407.602 3.528 0 50 HHAA CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 44856969 WCCOUMUDNAYZBC-QFIPXVFZSA-N 414.571 3.570 0 50 HHAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2csc3c2CCCC3)C1 95501979 MJWCKBIMVXOQGT-QGZVFWFLSA-N 400.592 3.795 0 50 HHAA COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 136230825 XVYSMGPFBBXPSA-IPMKNSEASA-N 400.862 3.604 0 50 HHAA COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccccc3OC)n2)cc1OC 169755733 UWPMYNIRSFILFE-INIZCTEOSA-N 409.442 3.740 0 50 HHAA COC(=O)[C@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)C[C@@H]1c1ccsc1 170601143 ZZLIUXFGGYDWOT-MSOLQXFVSA-N 400.475 3.635 0 50 HHAA C[C@H]1C[C@H](CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)C[C@@H](C)O1 252549623 RKUHIYNYQJOPTG-BTTYYORXSA-N 418.440 3.856 0 50 HHAA C[C@@]12CC[C@@H]3C[C@]1(C(=O)NCc1ccccn1)N(C(=O)/C=C/c1ccccc1)C[C@]32C 253390752 RAXHZGYOUMXXQJ-UPJZLVFNSA-N 415.537 3.819 0 50 HHAA COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3cccc(N(C)C)c3)n2)cc1OC 263619266 XTZGZTUIVBYVMD-GOSISDBHSA-N 422.485 3.797 0 50 HHAA O=c1c(CNCc2cccnc2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 299776322 JRHPQJRNZUDVLP-UHFFFAOYSA-N 417.440 3.602 0 50 HHAA O=C(N[C@H](Cc1ccccc1Cl)C(=O)O)c1cccc(OCc2cccnc2)c1 1857531216 NLCSQQHYZXHSGZ-HXUWFJFHSA-N 410.857 3.740 0 50 HHAA C[C@@H]1CCO[C@@H]1CCOC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 2325827207 ZHMYLTUTWBIXQE-ATZDWAIDSA-N 405.560 3.858 0 50 HHAA CN1C(=O)CN(c2nc3ccccc3c(=NCc3ccccc3)[nH]2)Cc2ccccc21 2325866644 TYPCJMAYPWTOPV-UHFFFAOYSA-N 409.493 3.647 0 50 HHAA COCCCc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)n([C@@H]2CCOC2(C)C)n1 2325872745 LFPRBFGXOCHAMR-GOSISDBHSA-N 412.534 3.518 0 50 HHAA COc1cc(C(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc(OC)c1OC 720123 KUIRRLMGTRXVGF-UHFFFAOYSA-N 404.894 3.637 0 50 HHAA COc1ccc(NC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CC[C@H](C)C3)cc1 722406 BZVPTVNXVSYXQP-LBPRGKRZSA-N 416.499 3.937 0 50 HHAA COc1cccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)c1 810649 HHWBNEXNRKNJLF-FQEVSTJZSA-N 420.490 3.852 0 50 HHAA Cc1cccc(C)c1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O 889076 JLJPRVMMLQCGSL-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NC1CCCCC1 1141669 FYVKUBUTHDLSAS-UHFFFAOYSA-N 411.527 3.520 0 50 HHAA CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 1173093 VHEYJVVYTBIHEG-UHFFFAOYSA-N 424.478 3.603 0 50 HHAA S=c1oc(-c2ccncc2)nn1CNc1ccccc1I 1425690 FMATVPYHRQITEB-UHFFFAOYSA-N 410.240 3.942 0 50 HHAA COc1ccc(OC)c2c(C)cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc12 4258979 QLSZUYSDGLOYEM-UHFFFAOYSA-N 409.461 3.662 0 50 HHAA CC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2Cl)CC1 6073649 ZIUULGAYHWPNCY-UHFFFAOYSA-N 422.312 3.679 0 50 HHAA COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)cc4OC)N4CCC[C@@]34C2=O)c1 12439981 FEDKGUMDQKFHEE-PZGSVQSZSA-N 422.525 3.650 0 50 HHAA O=C(C[C@H](c1ccccc1)c1ccccc1F)N1CCN(C(=O)c2ccco2)CC1 12709516 MIXGTVQKVDBWLO-HXUWFJFHSA-N 406.457 3.925 0 50 HHAA O=C1CC[C@](CCC(=O)N2CCC[C@@H](OCc3ccccc3)C2)(Cc2ccccc2)N1 14954384 BEZBFBNTRQUJJB-BVAGGSTKSA-N 420.553 3.866 0 50 HHAA O=C1CN(C(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c2ccccc2N1 16607464 AXYMBLIQFUMSOG-UHFFFAOYSA-N 401.869 3.676 0 50 HHAA CCCCn1c(CN(C)CCc2ccccn2)cnc1S(=O)(=O)C1CCCCC1 20149136 JWSXUWLHCIAFCO-UHFFFAOYSA-N 418.607 3.859 0 50 HHAA CSc1ccc(-c2ccc(C(=O)NCC(C)C)c(N(C)CCN(C)C)n2)cc1 20168464 VTPKCKBHJPARBP-UHFFFAOYSA-N 400.592 3.854 0 50 HHAA CN(C)[C@@H]1CCN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C1 72476393 IWUQLZLELMAVKE-MRXNPFEDSA-N 403.408 3.958 0 50 HHAA CCOc1cccc(CNC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1 169772557 HRMPWNMTICUKHO-UHFFFAOYSA-N 422.451 3.735 0 50 HHAA COc1ccc(-c2nn3c(nc2=O)-c2ccc(F)cc2N[C@@]32CCCSC2)cc1 170620141 ZCZLVPAGBYYFNH-NRFANRHFSA-N 410.474 3.725 0 50 HHAA CCCN(CC(=O)Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)nc2ncnn12 225492098 LDOQWFRFFDSMAC-UHFFFAOYSA-N 412.803 3.652 0 50 HHAA C[C@]12CCC(=O)N1[C@H](C(=O)NC[C@H]1CC3c4ccccc4C1c1ccccc13)CS2 241161340 JZXRXSIKCOHURY-GBYCXNRLSA-N 418.562 3.854 0 50 HHAA Cc1csc(Oc2ccc(NS(=O)(=O)c3ncn(C)c3Cl)cc2F)n1 253420432 JCVVWPNTYPCZJB-UHFFFAOYSA-N 402.860 3.571 0 50 HHAA COc1cc2c(cc1OC)-c1cc(=Nc3c(C)cc(C)cc3C)n(C)c(=O)n1CC2 255987072 MCMSJVMUSBZUCN-UHFFFAOYSA-N 405.498 3.585 0 50 HHAA in-vitro Cn1c(CN2CCC[C@@H](c3nn(-c4ccccc4)cc3C(=N)O)C2)nnc1C1CCC1 328606759 SVVQHHFJJFRLJI-QGZVFWFLSA-N 419.533 3.531 0 50 HHAA CCOc1ccc(CN2CCC(CNC(=O)c3cccc4cccnc34)CC2)cn1 823387169 ADXJFSHBTDRNOG-UHFFFAOYSA-N 404.514 3.671 0 50 HHAA C[C@@H]1CCn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccccc3)nc2C1 1275153153 JUVWRPLVFVBBFQ-YLJYHZDGSA-N 424.545 3.900 0 50 HHAA O=C(c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N(CCO)Cc1ncc[nH]1 1704303806 JAXRTOLLZRIAEZ-UHFFFAOYSA-N 421.888 3.551 0 50 HHAA COc1cc(CCC(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)ccc1C 1704354011 QVQNEWBIQDDTRQ-OFNKIYASSA-N 404.510 3.546 0 50 HHAA CN(C(=O)c1cc(-c2cccs2)nc2onc(C3CC3)c12)[C@H]1CN2CCC1CC2 1875257484 ALTZKJMLWDWDCW-KRWDZBQOSA-N 408.527 3.995 0 50 HHAA Clc1ccc(CN2CCC(N=c3nc[nH]n4c(Br)ccc34)CC2)cc1 1875264634 HAWBMKNOGFJJLN-UHFFFAOYSA-N 420.742 3.644 0 50 HHAA O=C(NCCC12CC(CO1)C2)NC[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 1875352387 DZRYDOOOVYXSHV-LBVATQBMSA-N 405.498 3.715 0 50 HHAA CC(C)C[C@@H]1CCC=CCC2(CCCC2)C(=O)NC[C@](C)(Cn2cccn2)NC1=O 1875369650 AEBNVQGLBOBHTE-NZQKXSOJSA-N 414.594 3.837 0 50 HHAA COc1ccc2c(c1)C[C@H](C(=O)Nc1nc3c(c(C(F)(F)F)n1)CCCC3)CO2 1940197638 FEHRELVVPXHOBK-LBPRGKRZSA-N 407.392 3.573 0 50 HHAA CN(C)CCCn1nc([C@@H]2CC=CCC2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2C 2325872567 DNMKQEVOTRZWTC-QGZVFWFLSA-N 407.562 3.975 0 50 HHAA O=C1CCC[C@H]2[C@@H]3C[C@@H](CN(Cc4ccc5c(c4)OCO5)C3)[C@H](Cc3ccccc3)N12 2356136719 GYAVROFBBAVESX-LDVJMBRRSA-N 418.537 3.859 0 50 HHAA O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1ccccc1C(=O)c1ccccc1 624919 UWPADGNLDMCYOJ-UHFFFAOYSA-N 417.852 3.920 0 50 HHAA CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 647431 GEMCHDVGKFFCJL-UHFFFAOYSA-N 403.485 3.595 0 50 HHAA O=C(Cc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1)NCc1ccccc1 1214590 HANWJQVTMFDKTK-UHFFFAOYSA-N 401.879 3.694 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 2626870 CPIPETHBVYIEQT-UHFFFAOYSA-N 420.840 3.926 0 50 HHAA COc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1 2859217 UFYXWSJOUGABLW-MRXNPFEDSA-N 404.532 3.920 0 50 HHAA Cc1cc(C)n(CCNC(=O)c2cc(COc3cc(C)c(Cl)c(C)c3)on2)n1 12027527 RYDFJTCDMKHZFM-UHFFFAOYSA-N 402.882 3.767 0 50 HHAA Cc1nc(CN(C)Cc2cccc(OC[C@H](O)CN3CCCCCC3)c2)cs1 12090862 QOMFGLIOHUMGQS-OAQYLSRUSA-N 403.592 3.699 0 50 HHAA COc1ccc(N[C@H]2CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)cc1OC 12208197 HUOUZBWVVYUVTD-IBGZPJMESA-N 401.551 3.515 0 50 HHAA COc1ccc(CCC(=O)N2CCC3(CC2)C[C@@H]3C(=O)Nc2ccccc2)cc1OC 12280072 FBMQUMDYYGVLOY-HXUWFJFHSA-N 422.525 3.904 0 50 HHAA COc1ccc(-n2cc(CNC[C@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 12586110 NYFVZETXZOTSHL-IBGZPJMESA-N 413.905 3.706 0 50 HHAA CN(C)CCNC(=O)c1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1 12589829 QRAVEYWCMVMLEJ-UHFFFAOYSA-N 421.994 3.736 0 50 HHAA C[C@@H](C(=O)NC1CC1)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 71315472 UDRVTBMFOKWULD-KRWDZBQOSA-N 401.510 3.880 0 50 HHAA Cc1ccc(Cl)cc1C(=O)N1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91441539 PAKXONNTCLRBBI-GOSISDBHSA-N 404.938 3.672 0 50 HHAA CCOC(OCC)c1nnc(SC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C 170592916 DZLJCXVCHAULFV-AWEZNQCLSA-N 414.572 3.626 0 50 HHAA CS[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c23)CCC4)C[C@H]1N(C)C 240871422 IKLPCNRHVPHPLB-NVXWUHKLSA-N 411.600 3.724 0 50 HHAA CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C[C@H]12 253489222 DKZPDNPWKHTWCC-JHXGOWNISA-N 414.498 3.941 0 50 HHAA CC[C@@](N)(C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1)c1cccc(Cl)c1 952880296 NNVJNUUNQIYDTL-ZSDSOXJFSA-N 402.926 3.551 0 50 HHAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@H](C(=O)O)C2(CCOCC2)C1 1800410354 RCUYECHDKRHCSQ-MRXNPFEDSA-N 403.862 3.862 0 50 HHAA Cc1nc(N2CCOCC2)sc1C(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 1857717446 SYIIUXKSIOFGRK-WMZOPIPTSA-N 403.523 3.568 0 50 HHAA COCCOc1ccc(Cc2nc(-c3nccs3)nn2-c2cccnc2C)cc1 1875348061 HKBKLFRJGKUGRD-UHFFFAOYSA-N 407.499 3.710 0 50 HHAA CC(=O)N[C@H](CC(=O)Nc1n[nH]c2ccc(Br)cc12)c1cccs1 1875356937 SLQWNMFXBQXXHQ-CYBMUJFWSA-N 407.293 3.593 0 50 HHAA Cn1ccnc1[C@H](NC(=O)N1C[C@@H]2CCCN2c2ccccc21)c1ccc(F)cc1 2325709329 OURBQXVAXVJMDM-GHTZIAJQSA-N 405.477 3.847 0 50 HHAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 852980 ILTRTMJZTCJZLY-OAQYLSRUSA-N 402.454 3.730 0 50 HHAA COC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC(C)(C)OC2 1060932 HUGHJRAQIATCHA-UHFFFAOYSA-N 404.513 3.513 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1 1138630 PRTXZYBZARAWQC-UHFFFAOYSA-N 424.803 3.903 0 50 HHAA Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 2860771 YBCCETZWUAOMGC-SFHVURJKSA-N 400.544 3.797 0 50 HHAA Ic1ccccc1-c1nn2c(-c3ccncc3)nnc2s1 2876137 VDSQYXOFJQFUQB-UHFFFAOYSA-N 405.224 3.519 0 50 HHAA CCC(=O)N1CCN(c2ccc(NC(=O)COc3cccc(C)c3)cc2Cl)CC1 4412869 QIPUKGUKJFBGAH-UHFFFAOYSA-N 415.921 3.725 0 50 HHAA CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1 6818365 XBNZGALZGQWHEI-UHFFFAOYSA-N 408.549 3.581 0 50 HHAA Cn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1cccnc1 9095978 PFAIXZDUVCWSQV-UHFFFAOYSA-N 422.283 3.510 0 50 HHAA CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CNC[C@H]1CCCO1 11910436 BSUKXFZRZCQEKA-OAHLLOKOSA-N 414.893 3.519 0 50 HHAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)CCc2c(C)nn(C)c2C)c1 12583161 FJQGHRFBRLEXRQ-JOCHJYFZSA-N 405.546 3.966 0 50 HHAA O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)NC2CCCCC2)s1 13661773 UDCSMJZMQBOVML-VAWYXSNFSA-N 402.545 3.731 0 50 HHAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)C(=O)c2ccccc2)C1 15078689 DHZOILFUQPQKJV-XMMPIXPASA-N 409.482 3.510 0 50 HHAA COc1cc2c(c(OC)c1)[C@H](c1cc3c(cc1Br)OCO3)CC(=O)N2 17083305 RPUGKQJATSYJOT-NSHDSACASA-N 406.232 3.669 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCC2 17090753 ATMJZYCOALUMSX-LSDHHAIUSA-N 416.543 3.905 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)O)c2C(=O)NCc2ccco2)C1 17091458 TUPDNGQXVURGFM-CYBMUJFWSA-N 418.515 3.979 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CC12CCN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1C3)CC2 20774339 DUQLNRMJPFEKEY-GMQQQROESA-N 416.525 3.652 0 50 HHAA CCN(CC(C)(C)C)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82115630 LXBOAVSCJSVNJO-NRFANRHFSA-N 400.611 3.653 0 50 HHAA CC(C)[C@@H](NC(=O)Cn1cnc2cc(F)c(F)cc21)c1ccc2c(c1)OCCO2 225500642 QHTCSGPAIGBEDL-OAQYLSRUSA-N 401.413 3.599 0 50 HHAA O=C(Nc1ccccc1-c1ncc2n1CCCC2)N1CCCN(CC(F)F)CC1 225522892 UFRVBLHVHBWZLZ-UHFFFAOYSA-N 403.477 3.691 0 50 HHAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 409415028 RNSYTVZHTBTVMV-SIKLNZKXSA-N 404.599 3.742 0 50 HHAA biogenic COCc1cc(=O)c(O)c(-c2nc(-c3ccco3)[nH]c2-c2ccc(O)c(OC)c2)o1 1857526367 CQVYDDLOMQVYJA-UHFFFAOYSA-N 410.382 3.523 0 50 HHAA Cc1onc(-c2ccncc2)c1C(=O)O[C@H]1CCN([C@@H]2CCCc3ccccc32)C1=O 1875254210 GIXKQWAQXRNPIB-UXHICEINSA-N 417.465 3.880 0 50 HHAA COc1cc([C@@H]2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc(OC)c1OC 1155572 OHLMIDCHEMBXFZ-INIZCTEOSA-N 415.446 3.987 0 50 HHAA CCn1nc(C)c(NC(=O)[C@@H](C)n2nc(C(F)F)c(Br)c2C)c1C 2778315 WWBYNMNPONZKBT-SNVBAGLBSA-N 404.259 3.925 0 50 HHAA Cc1ccc(CCC(=O)N2CCC3(CC2)C[C@H]3C(=O)NCc2cccc(C)n2)cc1 11785520 UAUMXXPPUONRHR-QFIPXVFZSA-N 405.542 3.576 0 50 HHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2ccnc(Cl)c2)C1 11879619 QHIKOSJKZFPSMH-QFIPXVFZSA-N 416.905 3.990 0 50 HHAA COC(=O)c1cc(CNC(=O)c2cccs2)cc(NC(=O)c2ccccc2OC)c1 12028384 QUZCYJPDJPEGBL-UHFFFAOYSA-N 424.478 3.726 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)Nc2ccc(C(=O)OC)cc2)C1 12112033 IDMDLDOLXZXJHL-XMMPIXPASA-N 424.497 3.893 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cn3c(C)cccc3n2)C1 12306565 SZOWJRXTSYFNRT-DEOSSOPVSA-N 423.488 3.810 0 50 HHAA COC(=O)c1c(NC(C)=O)c2cc(N[C@H](C)CC(C)(C)O)cnc2n1CCC(C)C 14537327 MVQXTZITGNCASD-CQSZACIVSA-N 418.538 3.789 0 50 HHAA Cc1nc(N2CCC[C@H]2C(=O)NCc2nc3ccccc3s2)nc2ccc(F)cc12 14990763 KJRFODARGPTUQV-SFHVURJKSA-N 421.501 3.972 0 50 HHAA O=C1N[C@H](c2ccccc2F)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 100736405 KHYAUCQBMIYWPD-JJRVBVJISA-N 416.758 3.583 0 50 HHAA CCc1ccc([C@H](NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c2cccs2)cc1 240934476 JCJGVSSNUQTMPN-NBHGPNQESA-N 400.569 3.970 0 50 HHAA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 257358363 SZTAYWGUFKACAE-PCQSRNQRSA-N 408.510 3.552 0 50 HHAA COc1ccc(NC(=O)c2ccc3c(c2)CN(Cc2ccccc2)C(=O)CO3)cc1 263619433 YQBAJPMLBICXPS-UHFFFAOYSA-N 402.450 3.869 0 50 HHAA C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(Cc2ccn(-c3ccccc3F)n2)C1=O 437615382 REQZLAXJTZJFTH-HXUWFJFHSA-N 416.815 3.771 0 50 HHAA O=C1CCc2cc(C(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)c(F)cc2N1 487606546 MJEPDBZEBDVDRU-GOSISDBHSA-N 406.816 3.717 0 50 HHAA CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 498062659 KYXKJLMYDIAVEG-UHFFFAOYSA-N 400.544 3.567 0 50 HHAA COc1ccc(Nc2nc(COC(=O)[C@@H](C)NC(=O)c3cccs3)cs2)cc1 812867899 PXQOZAKFMZFROK-GFCCVEGCSA-N 417.512 3.819 0 50 HHAA O=C(CC1(N2Cc3ccccc3C2=O)CCSCC1)N1CCc2ccccc2C1 952987104 QNFAYZYIMORNBE-UHFFFAOYSA-N 406.551 3.883 0 50 HHAA O=C(CCC1CCN(C(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)CC1)N1CCN(c2ccccc2)CC1 1565514021 XJWBHVQBSIOPNU-ZDXQCDESSA-N 421.585 3.566 0 50 HHAA O=C(O)[C@@H]1CN(Cc2ccccc2Cl)CC12CCN(C(=O)C1CCCC1)CC2 1857695909 DPKSCIYLOPXHTO-SFHVURJKSA-N 404.938 3.655 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CN1CCO[C@@H](CN(C)C)[C@@H]1c1ccccc1 1857695982 GZYRHLAIUJCARR-DQEYMECFSA-N 404.558 3.993 0 50 HHAA COc1cc(-c2noc(-c3cc(S(=O)(=O)N(C)C)ccc3C)n2)c2ccccc2n1 1875260352 QTBYMTNUZKUUBO-UHFFFAOYSA-N 424.482 3.519 0 50 HHAA COCCN1CCC[C@]2(CCCN2C(=O)c2cccc(Oc3ccccc3)c2)C1=O 2356137746 XUOTVVDPYUJNAG-DEOSSOPVSA-N 408.498 3.723 0 50 HHAA CCOC(=O)c1sc2ncn(CC(=O)Nc3ccccc3C(C)C)c(=O)c2c1C 791147 ZAYPXUJXXBQVJI-UHFFFAOYSA-N 413.499 3.705 0 50 HHAA Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)c1 983659 LLZZKOKMANLSRV-UHFFFAOYSA-N 416.543 3.886 0 50 HHAA Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccccc1Cl 1123001 VFLHEPGBPSZDAS-UHFFFAOYSA-N 410.923 3.600 0 50 HHAA COc1ccc(-c2noc(C(=O)NCc3ccc(Cl)cc3Cl)n2)cc1OC 1431347 FTCNXOJOWMIZKR-UHFFFAOYSA-N 408.241 3.991 0 50 HHAA CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(OC)c1OC)CC(=O)N2 4488953 CUBXKXQMUSACMV-CQSZACIVSA-N 401.459 3.984 0 50 HHAA CCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N)cc2O)cc1 5193421 VGUGNHBCNUJMCA-AWEZNQCLSA-N 405.520 3.930 0 50 HHAA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(C)=O)CC1 6729842 IROSYPZGYMYBMV-UHFFFAOYSA-N 400.500 3.789 0 50 HHAA Cc1nc2cc(OCc3cc(C(=O)NCC[C@H]4CCCCO4)no3)ccc2s1 12464120 RRODJHVUFJSMNJ-CQSZACIVSA-N 401.488 3.861 0 50 HHAA O=C(NC1Cc2ccccc2C1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12589931 TWOOKOSNFYCIOP-GOSISDBHSA-N 416.443 3.728 0 50 HHAA O=C(CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1)Nc1ccccc1F 17082378 HQXHRBTYPCKRDI-CYBMUJFWSA-N 402.451 3.587 0 50 HHAA COc1ccc2nc(S[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3=O)nc(C)c2c1 100115366 DCLXLTVHFJYGQY-LJQANCHMSA-N 407.495 3.988 0 50 HHAA CCOc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(F)cc5)no4)c3CO2)cc1 169773173 PGPHGWCDECLVPS-GOSISDBHSA-N 407.405 3.804 0 50 HHAA CC(C)c1noc(-c2cccn3c(CNC(=O)c4ccc(F)cc4Cl)nnc23)n1 169775931 MLQDVOPMZSBTAU-UHFFFAOYSA-N 414.828 3.625 0 50 HHAA Cc1ccc(-c2cc(NC(=O)CN3CCC(=O)NC3=O)nc(-c3ccccc3)c2)cc1 170624637 QURRSEPEUPFMNM-UHFFFAOYSA-N 414.465 3.604 0 50 HHAA Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1 170636542 JOSHZWMOFUANDN-UHFFFAOYSA-N 405.498 3.724 0 50 HHAA COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1 231428700 CAXHTIFSYAHJFN-UHFFFAOYSA-N 402.560 3.946 0 50 HHAA c1cnc2c(c1)nc([C@@H]1CCCO1)n2C1CCN(Cc2ccc3c(c2)OCCO3)CC1 299756857 GNRJWCZRYKQIKF-NRFANRHFSA-N 420.513 3.891 0 50 HHAA COc1ccc(Cc2nnc(NC(=O)c3cc4ccccc4c(=O)s3)s2)cc1 888090451 AFWIFJITNPCGKF-UHFFFAOYSA-N 409.492 3.965 0 50 HHAA CC(C)CN1CCCN(Cc2ccccc2CS(=O)(=O)c2ccccc2)CC1 1529133105 BTHBIWYMNWUUHT-UHFFFAOYSA-N 400.588 3.824 0 50 HHAA Cc1ccc(N2C[C@@H]3CN(Cc4nccs4)C[C@@]3(CCc3ccccc3)C2)nn1 1772816858 VMYLHTAKNZBFMX-REWPJTCUSA-N 405.571 3.813 0 50 HHAA Cc1cc(C)n2ncc(-c3nccn3CC3(N4CCOCC4)CCCCCC3)c2n1 1857702702 HRBIKTLELDFOOY-UHFFFAOYSA-N 408.550 3.635 0 50 HHAA COc1ccc2[nH]c(CNC(=O)C[C@@H]3CCCN(c4nc5ncccc5o4)C3)cc2c1 1857733853 BOMWSOOHTVHZIL-HNNXBMFYSA-N 419.485 3.636 0 50 HHAA Oc1ccc(N2CCN(c3c(Br)cncc3Br)CC2)cc1 2325733646 FBVDHEYGOPAMFU-UHFFFAOYSA-N 413.113 3.639 0 50 HHAA CCCCN(C(=O)C1[C@H]2CN(CC(F)(F)F)C[C@H]12)C1CC(C)(C)NC(C)(C)C1 2325827460 GTIPJAIYOWRBJG-HOTGVXAUSA-N 403.533 3.664 0 50 HHAA C[C@H]1CCc2c(sc(NC(=O)C[C@@H]3CCC(=O)NC3)c2C(=O)c2ccco2)C1 2325875232 KQSXTOVVZGELRI-STQMWFEESA-N 400.500 3.552 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(C)c(C)c2)cc1 879203 DFKYXAYXOOIGTR-UHFFFAOYSA-N 409.511 3.841 0 50 HHAA CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 1131502 ICQCDTHCFZYFNP-UHFFFAOYSA-N 424.522 3.859 0 50 HHAA COc1ccccc1NC(=S)N[C@@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl 8687193 AKGMCSXNEKXPRK-CYBMUJFWSA-N 422.721 3.701 0 50 HHAA CCc1ccc(CN2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)o1 12158355 CNYIXIZYMBMPLT-RUZDIDTESA-N 421.541 3.532 0 50 HHAA CCOc1cccc(CN2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)c1 12302442 WXJZEYLYZUGOCA-IBGZPJMESA-N 412.530 3.745 0 50 HHAA Cc1nc2c(CN3CCOCC3)cc(Cl)nn2c1C(=O)c1ccc(Cl)cc1F 79069559 WXZUHCAKLKTCGB-UHFFFAOYSA-N 423.275 3.547 0 50 HHAA O=C(Nc1cc(F)ccc1Cl)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2 169760339 PGCCARCYIVKNCJ-IBGZPJMESA-N 415.808 3.928 0 50 HHAA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCCSCC1 170646801 GOXRFGSXZCKOIT-UHFFFAOYSA-N 400.344 3.628 0 50 HHAA C[C@H](Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1)C(=O)c1ccccc1 245227719 MBZQPGVSSILVKD-SCMHALIYSA-N 413.473 3.894 0 50 HHAA Cc1ccc([C@H](NC(=O)CN2CCOC[C@H]2c2cccn2C)c2cccs2)cc1 252486765 MZVWAWMQCSQDSW-REWPJTCUSA-N 409.555 3.674 0 50 HHAA COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCn1c(C)csc1=O)CC2 302761635 WEMUSISCGCWJLA-QFIPXVFZSA-N 410.539 3.883 0 50 HHAA O=C1NCCN(C(=O)c2ccc(CSc3ccccn3)cc2)[C@H]1c1cccc(F)c1 826609063 ZUPPRQJOPDQHRX-NRFANRHFSA-N 421.497 3.826 0 50 HHAA Cc1c(NC(=O)[C@H]2CCCO2)cccc1C(=O)NCc1coc(-c2ccccc2)n1 827753042 UIONPFYUYVGEGO-HXUWFJFHSA-N 405.454 3.698 0 50 HHAA Fc1ccccc1OC1CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1 952974706 DKFQNPJBITWIGJ-UHFFFAOYSA-N 414.521 3.580 0 50 HHAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1 1704344011 IWLAWIGHNYNNSR-ZJSXRUAMSA-N 402.579 3.581 0 50 HHAA O=C(CCC1CCCC1)NCC[C@H]1COCCN1Cc1nc2c(s1)CCCC2 1857678680 KGSNDOLEHWHERB-SFHVURJKSA-N 405.608 3.699 0 50 HHAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1C[C@@H]2C=C[C@H]1CC2 1875287862 DCSSARPGLOFLQG-VUHPKUFZSA-N 414.513 3.697 0 50 HHAA O=C(c1ccc2ccccc2c1)N1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356165249 ZNTOBCIFOXIBNV-TZBSWOFLSA-N 406.526 3.741 0 50 HHAA Cc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 1198781 NYFWAXMFYQWJJP-UHFFFAOYSA-N 404.507 3.588 0 50 HHAA Cc1c(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 4677318 FFNZRYHTDXCVSA-UHFFFAOYSA-N 411.461 3.972 0 50 HHAA CCOC(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 4957871 RSPILJXIZWLBKL-SFQUDFHCSA-N 410.451 3.538 0 50 HHAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC[C@H]4CCCO4)cc3n2)cc1 5617928 RNUDYRXAVTZIKC-CQSZACIVSA-N 404.392 3.632 0 50 HHAA Cc1ncc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 11937008 BVOPYJYZRJIJFT-JOCHJYFZSA-N 403.486 3.966 0 50 HHAA COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1cccc(F)c1F)CC2 12041426 SDWAQYPBSRLGDL-IBGZPJMESA-N 414.496 3.934 0 50 HHAA O=C(C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O)N1CCCCCC1 12162700 OVSYZUSBTWWWOX-DEOSSOPVSA-N 414.521 3.948 0 50 HHAA CC(C)Oc1ccc(CCNC(=O)[C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)cc1 12298935 GOKBYNKEMMJYLC-FQEVSTJZSA-N 412.505 3.710 0 50 HHAA CN(C(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)[C@H]1CCOC1 12612989 NJPAHDCDNKKFQD-SFHVURJKSA-N 406.954 3.987 0 50 HHAA O=C(NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1)C1CCCCC1 14982274 BBRYIAJUMXFYFW-IBGZPJMESA-N 414.575 3.794 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCCN(C3Cc4ccccc4C3)CC2)c(F)c1 19642588 DMZRYFJFWYTCSC-UHFFFAOYSA-N 420.532 3.900 0 50 HHAA O=C1C[C@H](NCC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Br)cc1 19848333 VYHPNWLBYVEQIH-TYUXRXASSA-N 417.347 3.887 0 50 HHAA COc1ccc(OC)c(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(C)o3)C2)c1 39355361 HCEBYACUMYZOGK-QGZVFWFLSA-N 414.502 3.554 0 50 HHAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1nc2c(s1)CCCC2 61719238 ZUQSYOYKZUXCEK-UHFFFAOYSA-N 400.891 3.538 0 50 HHAA Cc1cccc2c(C(=O)N(C)[C@H](C)Cc3ccccn3)cc(-c3cnc(N)nc3)nc12 63882287 JJEIYUUIQGLCIH-MRXNPFEDSA-N 412.497 3.681 0 50 HHAA CC[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 77438431 FRKUZVLXLOLJIG-QGZVFWFLSA-N 412.555 3.759 0 50 HHAA COc1cccc(CCc2nc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)no2)c1 169769353 KRXSQWGSUPWHOO-HXUWFJFHSA-N 417.469 3.702 0 50 HHAA O=C(COc1ccccc1-n1cnnc1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 253396724 BFSOZVOBHFFKNF-QGZVFWFLSA-N 421.888 3.975 0 50 HHAA Cc1ccc(N2CCC(N(Cc3cccnc3)C[C@@H]3CCC(=O)N3)CC2)cc1Cl 952874063 UGZOCBHTKXNEJJ-IBGZPJMESA-N 412.965 3.793 0 50 HHAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ccccc1OC(F)(F)C(F)F 952981436 ZDKCDVWAYUJIBC-CYBMUJFWSA-N 416.415 3.786 0 50 HHAA NC(=O)c1ccc(OCCCN2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)cc1 1529162294 YQWONGKOGSPIQR-JBRSBNLGSA-N 408.542 3.707 0 50 HHAA CCOc1c(Br)c(C(N)=O)c(Br)c(OCC)c1OCC 1857525817 FFBHWZBMYREEJD-UHFFFAOYSA-N 411.090 3.507 0 50 HHAA COc1ccc2[nH]c(=O)c(-c3nccn3C3CCN(C(=O)C4CCCC4)CC3)cc2c1 1857687858 INOAZOXBMRKZKM-UHFFFAOYSA-N 420.513 3.754 0 50 HHAA CN1C(=O)CCN(CCCCCN2CCC(=O)N(C)c3ccccc32)c2ccccc21 2325738238 JKUUTYJVJDVLOS-UHFFFAOYSA-N 420.557 3.903 0 50 HHAA C[C@@H](OC(=O)c1ccc(-c2ccccc2Br)n1C)[C@H]1CCNC(=O)C1 2325826672 JEJPJIOIJHDZLQ-OLZOCXBDSA-N 405.292 3.526 0 50 HHAA CC(=O)Nc1ccc(Nc2ncnc3ccc(I)cc23)cc1 955118 GLAXRWYTTCYYLA-UHFFFAOYSA-N 404.211 3.936 0 50 HHAA CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)CN1C(=O)CCC1=O 994378 RRSSFKFQWSAOIT-UHFFFAOYSA-N 404.538 3.937 0 50 HHAA COC(=O)c1ccc(N[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1 1052989 UYCFSCVDXSIMAT-OAQYLSRUSA-N 410.495 3.605 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)sc2c1CCCC2 1099052 BIDOEUQXYABINP-LEWJYISDSA-N 405.516 3.864 0 50 HHAA O=C(O)C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(OC2CCCC2)cc1 4745741 FPPLIUTYUUHIII-FQEVSTJZSA-N 403.500 3.643 0 50 HHAA COC(=O)c1ccc(NC(=O)/C(=C\c2ccc(F)cc2)NC(=O)c2ccco2)cc1 5101455 QATBPTOZSLWKSH-QGOAFFKASA-N 408.385 3.615 0 50 HHAA COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 7971387 XJCLEZWAAVMGOX-UHFFFAOYSA-N 408.907 3.694 0 50 HHAA COc1cccc(CNCC[C@@H]2CCC(=O)N2Cc2nc3ccc(Cl)cc3[nH]2)c1 11789701 IGQVLXGDVLGBOG-KRWDZBQOSA-N 412.921 3.896 0 50 HHAA CN(C[C@H]1CCCCN1C)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 11874514 FYSREIDJKNPDEC-QGZVFWFLSA-N 424.467 3.555 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3C(=O)/C=C/c2cccc(F)c2)cc1Cl 12132132 NUYSLJDGNHBAMA-WIVVLVHASA-N 400.837 3.517 0 50 HHAA Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)cn1 12441021 QXGXAGAHRGEYGK-IBGZPJMESA-N 421.526 3.850 0 50 HHAA O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCC1(O)CCCCC1 12457547 XPFPWELHQHNRBS-UHFFFAOYSA-N 417.937 3.937 0 50 HHAA COc1ccc(OC)c(-c2cc(C(=O)NCC3CCCCC3)cc(-n3cnnn3)c2)c1 14981036 CNUXKHDBMASQTJ-UHFFFAOYSA-N 421.501 3.657 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1F 20999086 KHWAWUHSFXSGSX-JOCHJYFZSA-N 420.532 3.900 0 50 HHAA CN(Cc1ccccc1)C(=O)CCC1CCN(S(=O)(=O)Cc2ccccc2)CC1 39447147 MZQDVELKCBLNQO-UHFFFAOYSA-N 414.571 3.667 0 50 HHAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)CC1 55309205 HJAPBHYOOXOINI-HSZRJFAPSA-N 409.549 3.880 0 50 HHAA O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2 100817162 RWEIRVOZDJGCAW-QGZVFWFLSA-N 405.845 3.641 0 50 HHAA Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)c3cccc(C)n3)c2)cc1 170631504 OYLXVXJBKPMKDM-UHFFFAOYSA-N 409.511 3.800 0 50 HHAA CO[C@H]1C[C@H](C(=O)O)N(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)C1 237263458 DTYAVDJPVFTJJE-OXJNMPFZSA-N 410.445 3.607 0 50 HHAA Cc1cc2oc(=O)c(CC(=O)N[C@@H](C)CO)c(C)c2c2occ(-c3ccccc3)c12 253413155 TYSHCSVAXLASPX-AWEZNQCLSA-N 405.450 3.863 0 50 HHAA biogenic C[C@@H](NC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)c1ccccc1 263616032 GOPVGOHANDMJHR-QGZVFWFLSA-N 403.530 3.702 0 50 HHAA Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 426684415 ZMFYSIZBYHLLDL-GSMBIVSISA-N 405.498 3.663 0 50 HHAA C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@]4(CCCc5ccccc54)C3)ccc2N1C 439994352 JXFMRGDFYVHFHN-SSOJOUAXSA-N 403.526 3.974 0 50 HHAA O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CC[C@@H](Oc2cccc(F)c2)C1 784534904 UMJCVPCSLRBBCK-LJQANCHMSA-N 402.429 3.853 0 50 HHAA COc1ccc(Cl)cc1[C@@H](C(=O)O)N1CCC(c2nnc3n2CCCCC3)CC1 1506396117 OESUASITWQKLMX-IBGZPJMESA-N 418.925 3.672 0 50 HHAA COc1ccc(OC)c([C@H](C(=O)O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c1 1506402487 NUTFSCLKUOQGMG-OAQYLSRUSA-N 409.486 3.894 0 50 HHAA O=C(CCC1CCCC1)N1C[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@@]2(CO)C1 1772809876 GHCJARBDOVRJBE-GCJKJVERSA-N 408.945 3.702 0 50 HHAA CCc1ccccc1CN1CCC2(CCC[C@H]2NC(=O)CCc2cnccn2)CC1 1857708731 LCKKHDCDMMFEMM-HSZRJFAPSA-N 406.574 3.923 0 50 HHAA CCCN(Cn1nc(CN2CCCCCC2=O)n(-c2cccnc2)c1=S)C1CC1 1875255234 HNTFEGQYFKUBPV-UHFFFAOYSA-N 414.579 3.533 0 50 HHAA COC[C@@](C)(NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875344179 GUEUDFPFPGEHKU-HXUWFJFHSA-N 401.394 3.554 0 50 HHAA C[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)[C@H]1COc2ccccc21 1875357127 ZLRSVWXNZIKHEH-GLYQVZKVSA-N 416.521 3.816 0 50 HHAA O=C(c1ccccc1Cl)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 2100482968 JKSVYHMUFODYQC-DENIHFKCSA-N 401.890 3.641 0 50 HHAA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC[C@@](C)(O)c5cnn(C)c5)(C4)C2)C3)cc1 2325736022 HWKWVNWUHTYKHN-TVYFSTRLSA-N 407.558 3.590 0 50 HHAA Cc1cccc(N2C[C@@H](NC(=O)c3ccc(-c4nncc(C)c4C)cc3)CC2=O)c1 2356167592 UMSKBDNAQIJODI-FQEVSTJZSA-N 400.482 3.604 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2F)cc1Br 678965 ROXKFMUGUVQFEF-UHFFFAOYSA-N 401.232 3.863 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)c(Br)c3n2)cc1 825527 NBYVCUJOUXRPKE-UHFFFAOYSA-N 416.153 3.884 0 50 HHAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Br)c1 1188889 BWTGRWFMMHSJRY-QGZVFWFLSA-N 416.275 3.724 0 50 HHAA O=C(c1cccc(Br)c1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 1211778 VALJIBFIAHTUET-INIZCTEOSA-N 413.193 3.950 0 50 HHAA CCCOc1ccc(-c2csc3ncn(CC(=O)N4CCCCC4)c(=O)c23)cc1 1912014 JFYADBMDMISLLW-UHFFFAOYSA-N 411.527 3.926 0 50 HHAA O=C(Nc1ccccc1OC(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1 3550677 LCAZKKZAPDLQBX-UHFFFAOYSA-N 410.442 3.715 0 50 HHAA CCCc1cc(N2CCN(c3cccc(C)n3)CC2)n2nc3nc(C)cc(C)c3c2n1 5345572 FUFHNZOKTLHSEV-UHFFFAOYSA-N 415.545 3.877 0 50 HHAA NC(=O)CSc1nc2ccc(NC(=O)COc3ccccc3Cl)cc2s1 8673935 CLSWSFBDJDJQHG-UHFFFAOYSA-N 407.904 3.545 0 50 HHAA CSCCC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 11874926 QCSHLUMSIDVGHL-UHFFFAOYSA-N 414.575 3.761 0 50 HHAA Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)CN2CCCCCC2)C1 11933115 QXJOMRDUOSLBQX-LJQANCHMSA-N 403.542 3.967 0 50 HHAA COc1ccc2cc(CNCc3ccc(F)cc3)c(N3CCC[C@@H](CO)C3)nc2c1 12078952 FNOMRGISVIHHTH-GOSISDBHSA-N 409.505 3.881 0 50 HHAA Cc1c(C(=O)NCc2ccc(F)cc2)sc2ncnc(NC[C@@H]3CCCO3)c12 12123814 JYOHVXSBRJTKJX-HNNXBMFYSA-N 400.479 3.660 0 50 HHAA COCCc1nc2ccc(C(=O)N3CCC[C@@H](COc4cccc(OC)c4)C3)cc2o1 12194056 HIUZNWUNBHFXDH-QGZVFWFLSA-N 424.497 3.957 0 50 HHAA O=S(=O)(c1ccc(-c2ccon2)s1)N1CCC[C@@H](Nc2cccc(F)c2)C1 12315019 LJUUVIROFBSVRN-OAHLLOKOSA-N 407.492 3.807 0 50 HHAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 12432677 PMFDIEMSVICVHN-INIZCTEOSA-N 408.951 3.539 0 50 HHAA O=C(CCOc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(F)cc2)C1 14999233 ILNZADXECMYKMU-KNQAVFIVSA-N 410.489 3.748 0 50 HHAA CC(=O)c1ccccc1C(=O)N1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 55098912 VJHQNZHDYZRZOU-NRFANRHFSA-N 405.542 3.624 0 50 HHAA C[C@]1(C(=O)O)CCN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 237643130 DCQCQOUPAFTBIO-GCJKJVERSA-N 414.889 3.524 0 50 HHAA COc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(OC)cc3)OC4)n2)cc1 263617808 PSLLPEOAZZGVSQ-HXUWFJFHSA-N 404.426 3.889 0 50 HHAA Cn1c(SCC(=O)OCc2ccc(-n3ccnc3)cc2)nnc1-c1cccs1 754497192 DZEBRSUMXAVXFV-UHFFFAOYSA-N 411.512 3.565 0 50 HHAA CC(C)Cc1nc2ccccc2n1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccco2)CC1 1506414700 QWXZTVKUBGOAKC-SFHVURJKSA-N 422.529 3.764 0 50 HHAA Cc1ccc(NC(=O)c2cc3ccccc3nc2N2CCCC2)cc1NS(C)(=O)=O 2325710409 XLKUREJKVWQTIY-UHFFFAOYSA-N 424.526 3.767 0 50 HHAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)n1 917639 LSJWEVQFMYXHBX-UHFFFAOYSA-N 410.499 3.547 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C(=O)Nc2ccccc2C)c1C 1001944 KCECNKBFVFFQSE-OAHLLOKOSA-N 416.499 3.911 0 50 HHAA Cc1cc(I)ccc1NC(=S)NC(=O)c1cccc(F)c1 1070840 KJYPDBBMHISSDQ-UHFFFAOYSA-N 414.243 3.866 0 50 HHAA O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(C2CCCCC2)cc1 1156302 YSTUQYJZKDJNIR-UHFFFAOYSA-N 405.450 3.756 0 50 HHAA COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)cc1 1194319 SNEAWSNCXCMQKI-INIZCTEOSA-N 414.346 3.894 0 50 HHAA COC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Br)cc2)cc1 1201782 ZVJYIIYGYOVGPO-NYYWCZLTSA-N 419.300 3.762 0 50 HHAA Cc1cc2c(=O)n(NC(=O)[C@@H](C)n3nc(C(F)F)c(Cl)c3C)c(C)nc2s1 2777574 QKELTMKCPQYVNK-MRVPVSSYSA-N 415.853 3.502 0 50 HHAA Cc1cccc(-c2noc(CNC(=O)COc3ccc(Br)cc3)n2)c1 4512620 OGKUCVPJGCNXEA-UHFFFAOYSA-N 402.248 3.503 0 50 HHAA CCOC(=O)Cc1csc(NC(=O)c2cc(Br)ccc2Cl)n1 5060059 SBUNULPUGDWKTL-UHFFFAOYSA-N 403.685 3.917 0 50 HHAA COC(=O)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)cc1 5068434 QWFQEBXIDABDSZ-LJQANCHMSA-N 409.511 3.522 0 50 HHAA CCCC[S@@](=O)CC(C[S@](=O)CCCC)OC(=O)c1ccc(Cl)cc1 5102352 HVXDLHQNVDJEKJ-DQEYMECFSA-N 406.997 3.963 0 50 HHAA CCn1ncc(CNC(=S)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)c1C 6144981 GZZXIOXIQLFCKK-LLVKDONJSA-N 406.577 3.671 0 50 HHAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2n[nH]c3c2CCC3)C1 11819346 AEMRUBXZZZDINF-XMMPIXPASA-N 409.530 3.707 0 50 HHAA Cc1cnc(C)c(-c2cc(F)c3c(c2)C[C@@H](CNC(=O)c2ccccc2N(C)C)O3)n1 11970359 MMNPUWJPNACZRE-SFHVURJKSA-N 420.488 3.699 0 50 HHAA Cc1cc(C(=O)N(CC2CCN(Cc3ccccc3C)CC2)C[C@@H]2CCCO2)n(C)n1 12300374 XGXGZXMWRAAVEI-QHCPKHFHSA-N 424.589 3.570 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)c1 12317521 JGYICNKTQKHGIJ-SFHVURJKSA-N 406.530 3.880 0 50 HHAA COc1cc(-c2n[nH]cc2CN2CCC(c3ccncc3)CC2)cc(OC)c1OC 12317818 NMUKSSGKESQELS-UHFFFAOYSA-N 408.502 3.877 0 50 HHAA COc1ccc(C(=O)N[C@@H](C)Cc2ccccn2)cc1OC1CCN(C(C)C)CC1 12448255 FHLVOZBERTUZSC-SFHVURJKSA-N 411.546 3.703 0 50 HHAA O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 12453694 ODXLSAOQCAVKLT-UHFFFAOYSA-N 404.470 3.701 0 50 HHAA COc1ccc(C)cc1S(=O)(=O)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 12591768 DFIFQUHVHKQWIB-UHFFFAOYSA-N 423.962 3.663 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2cc(C)nc(C)n2)CC1 12753247 GMHCHQZOZYBOEZ-UHFFFAOYSA-N 409.530 3.902 0 50 HHAA O=C(Nc1ccc2c(c1)CN(C(=O)CCOc1ccccc1)CC2)c1ccccn1 12755894 PLXJJUDPPCQLIK-UHFFFAOYSA-N 401.466 3.688 0 50 HHAA Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2ccc4c(c2)OCCO4)C3)nc1 14984261 PWSBCOLONLUWLO-GOSISDBHSA-N 402.450 3.562 0 50 HHAA COC(=O)c1sc2nc(CN3CCCCCC3)ccc2c1NC(=O)[C@H]1CCCO1 14994349 IYMZOYIHNPYWKK-MRXNPFEDSA-N 417.531 3.576 0 50 HHAA COc1cc(CN2CCN(Cc3ccc(SC)cc3)CC2)cc(OC)c1OC 19781848 KNHLPUQBSHHWFM-UHFFFAOYSA-N 402.560 3.752 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2nc3ccccc3n2CC)C[C@@H]1CCO 20451245 BPIAOUMJLQKJCG-NRFANRHFSA-N 422.573 3.524 0 50 HHAA CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)cc1 20528612 YGKLMOYHSZCSRW-LJQANCHMSA-N 416.949 3.803 0 50 HHAA Cc1ccccc1CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1CCO 104291850 UWWONWUWIUKLFD-HSZRJFAPSA-N 408.521 3.593 0 50 HHAA COc1ccc(CN2CCN(Cc3csc(C(C)=O)c3)C[C@H]2CCO)c(C)c1C 104440342 MANPCYPOKUZIRQ-OAQYLSRUSA-N 416.587 3.645 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)cc2)n1 148568588 OMNBISLQVZQQPY-GOSISDBHSA-N 400.486 3.620 0 50 HHAA O=c1c2cc(-c3cccs3)nn2ccn1C[C@@H](O)c1cccc(Br)c1 263617713 PHAAWGIDEBHGFO-MRXNPFEDSA-N 416.300 3.721 0 50 HHAA Cc1cccc(N2N=C(C(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)CCC2=O)c1 1294666496 ZLUVZIFUQDHJLQ-UHFFFAOYSA-N 409.396 3.785 0 50 HHAA COc1cc(C(=O)O)cc(I)c1OC(=O)c1ccc(C)cc1 1772491348 DRRQEMKKGHFXES-UHFFFAOYSA-N 412.179 3.526 0 50 HHAA O=C(c1ccco1)N1CCC2(CC1)OCCc1cc(OCc3cccnc3)ccc12 1857678918 DEBVSWUIYQGOOZ-UHFFFAOYSA-N 404.466 3.958 0 50 HHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CC(=O)N(c3nccs3)C2)ccc1F 1857723442 FYUPHZJIIWYWQD-FJIDUMEYSA-N 413.518 3.881 0 50 HHAA CCOc1cc(-c2ccccc2)sc1C(=O)N[C@@H](Cc1ccccc1O)C(=O)O 2325851739 HSPQUSZYHWBCEM-INIZCTEOSA-N 411.479 3.945 0 50 HHAA CCCN1CCC[C@@]2(CCCN2C(=O)CC2CCN(Cc3ccccc3)CC2)C1=O 2356147644 HHWVQIZTZKUOSW-RUZDIDTESA-N 411.590 3.682 0 50 HHAA Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 852092 VLGMFPYZEZJNTP-MDWZMJQESA-N 422.510 3.855 0 50 HHAA O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(I)cc1 1058941 BMGHVKQVSJSXMC-UHFFFAOYSA-N 407.660 3.887 0 50 HHAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1 1066964 UYNCGCTULDBGRU-UHFFFAOYSA-N 414.458 3.912 0 50 HHAA CC(C)(C)NC(=O)Cn1nnc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 1071656 LZUYLLCSIHCFJM-UHFFFAOYSA-N 417.872 3.626 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)nc(C)n1 1088116 FNVFSMBZIPQTMP-VQTJNVASSA-N 422.510 3.636 0 50 HHAA CN(C)c1ccc(NC(=O)CCSCCC(=O)Nc2ccc(N(C)C)cc2)cc1 2096457 UWHCZSWAHFLCRV-UHFFFAOYSA-N 414.575 3.909 0 50 HHAA Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)c1 2868419 LMMYRXURCHDBOR-DDVIMMDMSA-N 404.466 3.692 0 50 HHAA COc1ccc(NC(=S)N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cc1 2913319 XGHVNULAKCXATL-LLVKDONJSA-N 412.770 3.840 0 50 HHAA CC(C)CC(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 3130781 KJRRTNJFBLDQFE-LBPRGKRZSA-N 407.146 3.972 0 50 HHAA CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@@]2(CC)C(=O)c1ccc(Br)cc1 4029757 HHJZEZAEEBZHAM-KYNGSXCRSA-N 409.276 3.543 0 50 HHAA biogenic Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)o1 5058486 NMLKCZZNLXQRTH-MAUKXSAKSA-N 404.532 3.568 0 50 HHAA O=C(NCc1cccs1)[C@@H]1CC12CCN(C(=O)CSc1ccccc1)CC2 11841295 BDPMQZQRYYMJSU-SFHVURJKSA-N 400.569 3.785 0 50 HHAA CC[C@@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCc1ccc(Cl)cc1)C2 12056931 RKECDGWJWFUYAC-YPMHNXCESA-N 419.934 3.843 0 50 HHAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CSc2ncccn2)cc1 12477275 PXKUANSKVZSZBU-GOSISDBHSA-N 423.542 3.593 0 50 HHAA COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC 12810421 QWIFXQRKIHAUFT-UHFFFAOYSA-N 418.496 3.818 0 50 HHAA O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cn(C2CCCCC2)cc(C(=O)N2CCCC2)c1=O 14993267 HBCXSQCBWDTKJI-CEXWTWQISA-N 423.557 3.532 0 50 HHAA CCCn1ncc(CN2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1C 20212494 GFPBNXAIJQTLAC-QFIPXVFZSA-N 414.594 3.758 0 50 HHAA O=S(=O)(c1ccccc1)n1c(Br)cc2c(Cl)nc(Cl)nc21 59182571 MIFZKYAZWMEXLC-UHFFFAOYSA-N 407.076 3.738 0 50 HHAA Cc1nc(C(F)(F)F)nc(N2CCC(C[C@@H]3CCCCO3)(C(=O)O)CC2)c1C 71776573 AJHHXEDHVONQPT-AWEZNQCLSA-N 401.429 3.743 0 50 HHAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1 72119356 CTRPJSJBRCILHT-UHFFFAOYSA-N 417.916 3.530 0 50 HHAA O=C(Nc1nn(CC(F)(F)F)c2cccc(Oc3cccnc3)c12)[C@H]1CCOC1 72436213 GSWRLEMLFQONJF-LBPRGKRZSA-N 406.364 3.761 0 50 HHAA Cc1ccc(-n2c(C3CCN(C(=O)c4c(F)cccc4Cl)CC3)n[nH]c2=O)cc1 169780452 ASFOMGOLWZUZKI-UHFFFAOYSA-N 414.868 3.681 0 50 HHAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O 170592139 JIZKAMZBWRZLAV-FQEVSTJZSA-N 421.428 3.625 0 50 HHAA O=C(Nc1cccc(C(F)(F)F)c1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263616563 JLRYKAMENNBUFA-INIZCTEOSA-N 406.339 3.960 0 50 HHAA C=Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCCCc2ccncc2)cc1 299801391 XTXCXKVYCYIORH-JOCHJYFZSA-N 403.526 3.716 0 50 HHAA CC(C)c1c(NC(=O)N2CCC[C@H](OCCO)C2)cnn1-c1ccccc1Cl 485148705 PLEKBYNRKPDETA-HNNXBMFYSA-N 406.914 3.654 0 50 HHAA Cc1ccc(NC(=O)N[C@@H]2CCc3ccccc3NC2=O)cc1C(=O)N1CCCCC1 1217171449 VDVNRNIWLFHMTH-OAQYLSRUSA-N 420.513 3.696 0 50 HHAA CCOCn1nc(C)c(CC(=O)NC(C)(C)c2nc3cc(Cl)ccc3o2)c1C 1454688940 HJFBZMISZXFYMW-UHFFFAOYSA-N 404.898 3.883 0 50 HHAA CCCCc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cc1 1529173017 KUXBUPZFXZNYEG-DHIUTWEWSA-N 413.514 3.621 0 50 HHAA Cc1nc(N2C[C@@H]3[C@H](CNC(=O)c4ccccc4Cl)[C@H]4CC[C@]3(C2)O4)sc1C 1704301239 QJOOUWUSLGEKBF-LTVCHDBBSA-N 417.962 3.827 0 50 HHAA CC(C)(C)OC(=O)N1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1 1775964781 CQZPBRTZISZTMG-UHFFFAOYSA-N 414.897 3.526 0 50 HHAA COc1ccc(-c2cc(C(=O)N[C@@H](C)Cc3nc(-c4ccccc4)no3)no2)cc1 1857799450 CYWKRXXHYDVGLA-AWEZNQCLSA-N 404.426 3.761 0 50 HHAA CC(C)n1cc([C@@H]2OCC[C@H]2C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cn1 2325827161 XYWPHEATXURLOZ-RTWAWAEBSA-N 419.485 3.828 0 50 HHAA CC(C)[C@H](NC(=O)c1n[nH]c2cc(OC(F)(F)F)ccc12)[C@H](O)c1ccccc1 2325876134 LICNFMYYINXICH-FUHWJXTLSA-N 407.392 3.950 0 50 HHAA CC(C)(C(=O)N[C@H](CCc1ccncc1)C(=O)O)c1csc(-c2cccs2)n1 2325877003 HDCRWPRMXKZXPL-CQSZACIVSA-N 415.540 3.746 0 50 HHAA COc1cc(C(=O)OCC(=O)c2ccc(Br)cc2)cc(OC)c1OC 725347 BHANYMAVPFPZSU-UHFFFAOYSA-N 409.232 3.515 0 50 HHAA Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nn4c(C)nnc4s3)cc2C)cc1 1078116 JWMHKRLBLMYEQN-UHFFFAOYSA-N 422.539 3.905 0 50 HHAA COc1cccc(C(=O)NCc2ccc(CNC(=O)c3cccc(OC)c3)cc2)c1 2747385 LKYZNNBDSMFUHH-UHFFFAOYSA-N 404.466 3.564 0 50 HHAA COc1cc(NC(=S)NC(=O)c2cccs2)ccc1NC(=O)c1ccco1 2972993 PWAUDEOMPDCFDU-UHFFFAOYSA-N 401.469 3.729 0 50 HHAA CCCOC[C@@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 4370587 SYFVSULCXIZWHH-ONGXBYRLSA-N 416.499 3.777 0 50 HHAA biogenic Cc1ccc(SCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 5753035 LOQZPIBGCOVGRG-UHFFFAOYSA-N 420.600 3.793 0 50 HHAA Cc1cccc(NC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1 11697235 FVVQAAPLCSVUJF-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@@H](O)CN(C)C(C)C 12205502 CWFHFTDBRIDEGQ-NRFANRHFSA-N 404.526 3.512 0 50 HHAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CSC)O3)c1 12329660 ZMCKRDWKHTYCCJ-OAHLLOKOSA-N 407.919 3.807 0 50 HHAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)Nc2ccc(OC)cc2)CC1 12441815 BGMBYMADJXTAGY-IBGZPJMESA-N 404.507 3.832 0 50 HHAA CCOc1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)ccc1OC 23373071 ADXLVOTUAZNDBQ-QHCPKHFHSA-N 412.574 3.595 0 50 HHAA CC(C)c1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1 35959796 VVSMKIKXHIFJAM-JOCHJYFZSA-N 405.542 3.507 0 50 HHAA COCCN1CCC(CN(Cc2ccncc2)Cc2ccc(O)c(Cl)c2)CC1 55133536 UAKMNSBLOGPROT-UHFFFAOYSA-N 403.954 3.801 0 50 HHAA COc1ccc2ccc(OCc3nc(C(=O)N(C)Cc4cc(C)no4)co3)cc2c1 67688538 NOLKEHSRDSDJJK-UHFFFAOYSA-N 407.426 3.984 0 50 HHAA COc1cccc(-c2nc3cc(OC)c(OC)cc3cc2CN2CCC(O)CC2)c1 72419613 LBDAIXRQFVZGMT-UHFFFAOYSA-N 408.498 3.884 0 50 HHAA C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 101795685 DOJLHUMRZPZHPU-JFUSQASVSA-N 401.677 3.838 0 50 HHAA Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccccc4C)ccn3n2)c1 169775794 RKESEFNIFQXURI-UHFFFAOYSA-N 400.482 3.518 0 50 HHAA O=S(=O)(Nc1cnc[nH]1)c1ccc(Oc2ccc(F)cc2)c(Br)c1 225392273 NXEJYGBPBBJILH-UHFFFAOYSA-N 412.240 3.904 0 50 HHAA CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)O)[C@H]21 248246264 QLJODMDSTUBWDW-CKCCHMJESA-N 422.562 3.716 0 50 HHAA biogenic,in-vitro COc1ccc(C(=O)Cn2cc(-c3cccc(Br)c3)n(C)c2=N)cc1 334157585 OZBIFWVQFNQFCI-UHFFFAOYSA-N 400.276 3.627 0 50 HHAA CN(C(=O)Cc1c[nH]c2cccc(Br)c12)[C@@H](CC(N)=O)c1ccccc1 478233198 JUNUHWTZGXSIRY-KRWDZBQOSA-N 414.303 3.548 0 50 HHAA CN1CCN(c2ccc(C(=O)N(C)CCCOc3cccc(Cl)c3)cc2)CC1 952962629 HFXGPKQCWBQIAR-UHFFFAOYSA-N 401.938 3.633 0 50 HHAA Cc1csc([C@@H](C)CNC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)n1 952990442 QKBBOYNAEUWAMV-HNNXBMFYSA-N 418.522 3.748 0 50 HHAA COc1cccc2cc(CNC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)oc12 1318233819 UGSAVKKYKKKMDO-UHFFFAOYSA-N 419.886 3.718 0 50 HHAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NCc2csc(N3CCCC3)n2)s1 1506428120 MSBDDWWGPALJLX-UHFFFAOYSA-N 424.573 3.555 0 50 HHAA Cc1ccc(N2CCC(N3CCC[C@]4(CCc5cnc(N(C)C)nc54)C3)CC2)cc1 1704339491 IVKARHDHHMMABE-VWLOTQADSA-N 405.590 3.800 0 50 HHAA CCOC(=O)N1CCC(n2ccnc2-c2cc3cc(OCC)ccc3[nH]c2=O)CC1 1857688211 XKLZBFXCLDNMNR-UHFFFAOYSA-N 410.474 3.584 0 50 HHAA Cc1cc(CC(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)on1 1857709908 XPNWUHNGBPCPAQ-NRFANRHFSA-N 411.546 3.624 0 50 HHAA C[C@@H](NC(=O)Nc1ccccc1COCc1ccccc1)c1nnc2ncccn12 2325748751 XPSPSJKPQFDSQI-MRXNPFEDSA-N 402.458 3.724 0 50 HHAA Cc1ccccc1[C@H]1CCCN1C(=O)NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 2325841118 DFSJKTSKAMTYSF-OAHLLOKOSA-N 424.425 3.552 0 50 HHAA CCOc1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 624106 ROXNUEHAHRJFNS-JOCHJYFZSA-N 409.511 3.662 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 686819 AZBBLPLMTXYALK-UHFFFAOYSA-N 410.923 3.533 0 50 HHAA COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC 1075993 UOQLYUFUPFJUKI-OAQYLSRUSA-N 419.485 3.840 0 50 HHAA COc1ccc(OC)c(N(CC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 1121725 IGIPGGMGZBAKSR-UHFFFAOYSA-N 420.531 3.540 0 50 HHAA CC1(C)CC(=O)c2sc(NS(=O)(=O)c3ccc(Br)cc3)nc2C1 1132827 XUILNAFKETVWTE-UHFFFAOYSA-N 415.334 3.862 0 50 HHAA Cc1nn(C(=O)[C@@]2(C)CC2(Br)Br)c(C)c1Br 2091031 NKXGLVVTNXQWRW-SECBINFHSA-N 414.923 3.799 0 50 HHAA COc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1 11759949 UAQIXRBYZBOTGX-IBGZPJMESA-N 422.485 3.724 0 50 HHAA CC(=O)NCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1cccc(C(F)(F)F)c1 12093371 HPGCMBTVGJRQBE-OAQYLSRUSA-N 415.415 3.797 0 50 HHAA Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)Nc2ccc3sc(C)nc3c2)cn1 12126454 DZULUWBHEYWERZ-MRXNPFEDSA-N 421.526 3.584 0 50 HHAA COc1cccc(C(=O)N2CCOc3c(cc(-c4cccc(OC)n4)cc3OC)C2)c1 12242852 MTCCSLRXPUVHCL-UHFFFAOYSA-N 420.465 3.809 0 50 HHAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 13839442 XHWASBNQZKUVOM-UHFFFAOYSA-N 418.868 3.865 0 50 HHAA CCN(CC)C(=O)c1c(CCc2ccccc2)n(Cc2ccncc2)c(C)cc1=O 14974084 OHXANXYRYZBEPZ-UHFFFAOYSA-N 403.526 3.867 0 50 HHAA O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)N1CCc2ccccc2C1 15072580 GHGPALBXMWLONQ-UHFFFAOYSA-N 400.482 3.854 0 50 HHAA O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2c(F)cccc2Cl)CC1 16607471 CGLQRUGQXIWEED-UHFFFAOYSA-N 404.869 3.736 0 50 HHAA Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 19565128 CAOADUYDEIMVFE-LJQANCHMSA-N 402.498 3.613 0 50 HHAA CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 19774181 VGXRTMMNQXBNDJ-UHFFFAOYSA-N 402.545 3.649 0 50 HHAA Cc1nn(C)cc1-c1csc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)n1 20602706 NPQZWQJBJBFTHQ-OAHLLOKOSA-N 419.869 3.776 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nn2)nc1 72139188 BSKNKTXVENDWRO-UHFFFAOYSA-N 408.893 3.539 0 50 HHAA C[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)c1)C(=O)c1ccccc1 136294686 DRCFSQJNAJGGFF-XTCWOQMQSA-N 417.461 3.816 0 50 HHAA COC(=O)c1ccsc1N1CC[C@@H](Nc2cn(CC(C)C)nc2C(F)F)C1=O 170610585 YHESOLLOFUUJEQ-GFCCVEGCSA-N 412.462 3.542 0 50 HHAA O=C(CC1(n2cccc2)CCCCC1)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 206228690 RGTGKTUIWRBHJD-HXUWFJFHSA-N 420.513 3.733 0 50 HHAA C[C@@H](Cc1ccccn1)NC(=O)CN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 216253325 MQHBGPRSMNSLFP-MHECFPHRSA-N 419.500 3.904 0 50 HHAA CC(C)n1cc(CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21 225419905 LSIMZGVKUSROAI-QUCCMNQESA-N 403.526 3.962 0 50 HHAA biogenic CCOc1ccc(C(=O)NCC(=O)Nc2cc(F)c(F)cc2N2CCCCC2)cc1 241401090 NBCJGFUDFIHJGH-UHFFFAOYSA-N 417.456 3.722 0 50 HHAA CNC(=O)Cc1nc(CN2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)cs1 438484017 GSSRHSQXCUNKHC-OAQYLSRUSA-N 413.587 3.947 0 50 HHAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)c2c1 497458816 IJYOZNYFHDSTIO-NTKDMRAZSA-N 420.601 3.827 0 50 HHAA CSc1ccc(O[C@H](C)C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)cc1 777869718 KRYIUKBMWJROGO-CYBMUJFWSA-N 407.923 3.689 0 50 HHAA CCOc1cc(S(=O)(=O)Oc2ccccc2NC(C)=O)ccc1Br 1775979051 YINAROZZYUGBFQ-UHFFFAOYSA-N 414.277 3.574 0 50 HHAA Cn1cc(C(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)cn1 1857699131 PATDONRAYPKPDJ-QFIPXVFZSA-N 410.562 3.522 0 50 HHAA Cc1ncc(C(=O)N2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)cn1 1857703149 WAMQSVNHKPQROU-HSZRJFAPSA-N 422.573 3.887 0 50 HHAA CN(C)C(=O)c1cccnc1N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 1875256467 UYVYTLOLTBSODS-UHFFFAOYSA-N 411.456 3.836 0 50 HHAA O=C([C@H]1COc2cc(Cl)ccc2C1)N1CCC(n2c(O)nc3ccccc32)CC1 1875332352 XXXBSQUBLMNBCW-OAHLLOKOSA-N 411.889 3.810 0 50 HHAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3csc(Cc4ccccc4)n3)C1)CC2 2356155483 FIVDORSSVZDGKB-QHCPKHFHSA-N 404.539 3.953 0 50 HHAA Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1 754854 VJJAHPPYVAQPER-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccc(Cl)c1Cl 1004687 YDUDPKFMMNQJTI-UHFFFAOYSA-N 410.326 3.957 0 50 HHAA COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3c(F)cccc3Cl)C2)cc1OC 1077257 SWFKPBKMKZSKBH-HNNXBMFYSA-N 412.870 3.607 0 50 HHAA Nc1cccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 2983388 BBSHCMWTSHNMBH-QHCPKHFHSA-N 406.869 3.930 0 50 HHAA C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)Nc1nc(-c3ccccc3)cs1)C(=O)N2 4264128 RQSZGUHDSLUUPR-REDKUUPNSA-N 405.479 3.777 0 50 HHAA COc1ccc(C(=O)Nc2ccc(-n3nc(C)c4ccccc4c3=O)cc2)cc1OC 12444859 CGDWTQJAKSBXSJ-UHFFFAOYSA-N 415.449 3.964 0 50 HHAA biogenic,in-vitro COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccc(C)n4)C3)C2)c1OC 12759128 MCTRUCPRTCZRJA-DEOSSOPVSA-N 409.530 3.536 0 50 HHAA COc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c(F)c1 20535047 XYSGTLPXNKOAIN-HXUWFJFHSA-N 413.537 3.630 0 50 HHAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](N4CCN(c5ccccc5C)CC4)C3)c2c1 55090751 PTSUEFBWPBOWQO-FQEVSTJZSA-N 417.557 3.607 0 50 HHAA C[C@H](OC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1)C(=O)c1ccccc1 101229531 PUWUJNRQSUOKTA-LVNJIZSUSA-N 417.461 3.816 0 50 HHAA COc1cccc([C@H]2Cn3nnc(-c4nc(-c5ccc(C)c(C)c5)no4)c3CO2)c1 169758486 WZXZSWXAUROAAE-LJQANCHMSA-N 403.442 3.892 0 50 HHAA Cc1ccc(CCNC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1 169780991 JDZQTWGUWGXRCR-UHFFFAOYSA-N 406.452 3.688 0 50 HHAA COc1ccccc1N1C(=O)C[C@H](N2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O 229482919 UOLGGGIFKYDNIY-QAPCUYQASA-N 421.522 3.816 0 50 HHAA CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)O)[C@@H]21 248246267 QLJODMDSTUBWDW-COZBKYIVSA-N 422.562 3.716 0 50 HHAA biogenic,in-vitro CC(C)(C)NS(=O)(=O)c1cc(NCc2ccc(N3CCCC3)nc2)ccc1F 328593558 ITQLFAJLBHIWMM-UHFFFAOYSA-N 406.527 3.510 0 50 HHAA CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CCS[C@H]2COCC[C@H]21 430357707 WSPDNQKQWBZKAG-CVEARBPZSA-N 419.547 3.660 0 50 HHAA COc1cc(OC)c(OC)cc1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1 484065058 HQYJDHBXLRGOBQ-IBGZPJMESA-N 406.866 3.971 0 50 HHAA CC(C)(CCC(=O)NCc1ccc(F)cc1F)C(=O)NCc1ccc(F)cc1F 486799425 HMTNBQSIXOWZPF-UHFFFAOYSA-N 410.411 3.982 0 50 HHAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)N[C@H](Cn1cccn1)c1ccccc1 670448139 QDPZCAXOVHBPHS-JOCHJYFZSA-N 412.493 3.988 0 50 HHAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704301083 IWOJOUVCUYAAEF-XMMPIXPASA-N 401.514 3.533 0 50 HHAA Cc1c[nH]c(CN2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c(C)c1=O 1704345529 ZJMSBLAMEBYPHC-RUZDIDTESA-N 400.526 3.929 0 50 HHAA O=C(NCCc1csc(-c2cccnc2)n1)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2 1857675658 BULFIUYBVDPISB-XZDHIHRUSA-N 418.566 3.617 0 50 HHAA O=C(CN1CC[C@@H](c2ccccc2)c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O 2325863462 KUAGWICWGYUSQH-GMAHTHKFSA-N 414.505 3.841 0 50 HHAA CCOc1ccccc1C(=O)N1C[C@@H](C)N(C(=O)c2ccccc2OCC)C[C@H]1C 669720 AUDQJKYQQYNZFO-QZTJIDSGSA-N 410.514 3.859 0 50 HHAA COc1cc(Br)c([C@H]2OC(=O)Cc3cc(OC)c(OC)cc32)cc1OC 838852 LNQBPWBNUKUHOQ-IBGZPJMESA-N 423.259 3.672 0 50 HHAA CC(C)(C)OC(=O)NCCC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1750171 UZROXIHCPUNHNO-UHFFFAOYSA-N 407.850 3.755 0 50 HHAA CCCCC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 2856688 OYPXUBRVKJJRAK-UHFFFAOYSA-N 412.442 3.641 0 50 HHAA CCCNC(=O)c1ccccc1NC(=O)c1ccc(I)cc1 2880106 BFIHTVKYANHTGP-UHFFFAOYSA-N 408.239 3.683 0 50 HHAA CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Br)OCO3)CC(=O)N1 9560013 CFVSDBPBNXQZKY-ZDUSSCGKSA-N 422.275 3.541 0 50 HHAA CN(Cc1ccnc2ccccc12)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 11821341 VFTQTODCDXFSNA-IBGZPJMESA-N 405.473 3.771 0 50 HHAA CN(Cc1ccccc1)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O 11870760 YPFRGIMVQTYLGD-RUZDIDTESA-N 422.500 3.814 0 50 HHAA COc1cccc(OC)c1-c1cnnc(N2CCC(Oc3cccc(C)c3)CC2)n1 11878847 PEOXCRNXVORPNN-UHFFFAOYSA-N 406.486 3.912 0 50 HHAA CC(C)CS(=O)(=O)c1ncc(CN(C)C(C2CC2)C2CC2)n1Cc1ccccc1 12316000 HQBLSGJITYYSRI-UHFFFAOYSA-N 415.603 3.982 0 50 HHAA C[C@@H](NC(=O)c1ccc(CN2CCSCC2)[nH]c1=O)c1cccc2ccccc12 12328925 DJRIGXDDIHOUCF-MRXNPFEDSA-N 407.539 3.568 0 50 HHAA Cc1c(CNC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cnn1C 13124036 FLCAKRDBVIFPKO-DLBZAZTESA-N 418.423 3.515 0 50 HHAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N1CC=C(c3ccccc3)CC1)C2 14536162 DVMZLFMHBYPJKW-NRFANRHFSA-N 404.558 3.786 0 50 HHAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)C1CCCC1 15075055 BFBRMVPPAZWVNF-UHFFFAOYSA-N 411.634 3.836 0 50 HHAA O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)Cc1cccc(Cl)c1 16579320 JZOMRDDZLNZYAP-UHFFFAOYSA-N 415.902 3.607 0 50 HHAA CCc1cc(-c2nnc(SCC(=O)Nc3sccc3C(=O)OC)n2C)cs1 17093238 BDPFHEFNZMTSJV-UHFFFAOYSA-N 422.557 3.685 0 50 HHAA Cc1cc(CN(C)Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)on1 20110119 MPAMVIUNGVRMPE-UHFFFAOYSA-N 403.486 3.535 0 50 HHAA Cc1cnc(OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(I)c1 39961295 CKROMISXVJDZFA-GFCCVEGCSA-N 418.275 3.630 0 50 HHAA in-vitro O=C1C[C@@H](Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1cccc(Cl)c1Cl 96287664 KBKQTLOHQNOZKJ-MRXNPFEDSA-N 420.296 3.574 0 50 HHAA O=C(C[C@H]1C(=O)Nc2ccccc21)N[C@@H]1CCOc2c(Br)cccc21 225709978 RBMJKJQUWTYBEG-CZUORRHYSA-N 401.260 3.515 0 50 HHAA COc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCCC1 241942372 ULZVQSSZINZVRN-JENIJYKNSA-N 420.575 3.568 0 50 HHAA CC1(C)C[C@@H](C(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)CCO1 299770197 QFJSKZJYZRUYPF-FPOVZHCZSA-N 418.553 3.661 0 50 HHAA Cc1nnnn1-c1cccc(NC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)c1 440263779 GMMAOPBTEPAHSA-QHCPKHFHSA-N 402.502 3.873 0 50 HHAA COCCNc1nc2cc(C(=O)NC[C@]3(c4ccccc4)CC3(C)C)ccc2n1C 824444974 INYUUZHYQJQNHQ-DEOSSOPVSA-N 406.530 3.729 0 50 HHAA COCCn1ccnc1CN1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 824466148 OCACSVKOOUXYDE-UHFFFAOYSA-N 419.529 3.605 0 50 HHAA CSCc1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3cccc(C)c3F)C2)o1 952986665 IVPAXJUOAKBRQW-HNNXBMFYSA-N 404.507 3.872 0 50 HHAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(-c3ccccc3)nc2O)[C@H]1c1ccccc1 1857715171 FSBJFQFQCKUKTO-GOTSBHOMSA-N 417.509 3.598 0 50 HHAA COc1cccc([C@@H]2C[C@H](C)CN2C(=O)C(=O)Nc2cnc3c(F)cccc3c2)c1 1875300056 JDSUOFYYNLRAEG-XOBRGWDASA-N 407.445 3.931 0 50 HHAA Cn1c(C(=O)NS(=O)(=O)c2ccc(-n3cccc3)cc2)ccc1-c1ccc(F)cc1 1875343493 LBAPGBJADMQTFQ-UHFFFAOYSA-N 423.469 3.741 0 50 HHAA COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc3c(c2)nc(O)n3C2CC2)[nH][nH]1 2325827154 XGFCVCIQAPNUNF-UHFFFAOYSA-N 423.860 3.803 0 50 HHAA Cc1ccc(CN(c2ccc(C(=O)N3CCC(C)CC3)cc2)S(C)(=O)=O)cc1 784456 ZERNVPCOZPQNHW-UHFFFAOYSA-N 400.544 3.833 0 50 HHAA O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCC2 799009 KZOIOYZMGKODAP-KRWDZBQOSA-N 424.478 3.538 0 50 HHAA C[C@H]1CCc2c(sc3nnn(CC(=O)Nc4cc(Cl)ccc4Cl)c(=O)c23)C1 958839 WHRHJPFIZBVLMJ-VIFPVBQESA-N 423.325 3.923 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 1140542 ARCMSHGHSDDRCV-UHFFFAOYSA-N 416.524 3.905 0 50 HHAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)c1 2999350 HVEZQFDCPIMJCJ-UHFFFAOYSA-N 402.878 3.848 0 50 HHAA Cc1ccc(C)c(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 5698231 MLNFJSOSMCRAOY-UHFFFAOYSA-N 415.342 3.693 0 50 HHAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(O)cc2)CC1 11840655 POUXWPUAXQXAOM-UHFFFAOYSA-N 420.513 3.833 0 50 HHAA CCC(CC)CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1 12165485 QTUIYUGOEDPHQE-GOSISDBHSA-N 401.555 3.683 0 50 HHAA CCc1n[nH]c(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)c1C 12195617 FMQZJHKPGUVOHX-QGZVFWFLSA-N 412.534 3.869 0 50 HHAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 12577572 IDXHWIDBPVTXOW-SFHVURJKSA-N 423.538 3.562 0 50 HHAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)c2cc(C)nc(C)n2)CC1 12713665 XCXATSZNNIVKNW-UHFFFAOYSA-N 415.921 3.775 0 50 HHAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cccc(C)n2)c1=O 14993292 UUOXYYRZKNSDPI-UHFFFAOYSA-N 424.545 3.517 0 50 HHAA COc1ccc2cc(-c3n[nH]cc3CN3CCN(C(=O)c4ccco4)CC3)ccc2c1 15065778 WALQCWWHWZGNGS-UHFFFAOYSA-N 416.481 3.790 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C)c3C)n2)ccc1C 16652093 HDMBTCZWNGCIDJ-QGZVFWFLSA-N 418.497 3.994 0 50 HHAA COc1cccc(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)c1 32587014 SEANZPJXDCWSJO-KNQAVFIVSA-N 415.965 3.606 0 50 HHAA COc1cccc(CCC(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1 169753580 TYUVPNSNEXORDR-FQEVSTJZSA-N 422.504 3.942 0 50 HHAA Cc1cnc(SCC(=O)NCC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)nc1 170620198 VVNSNFQURKZKEB-JDPPGYRCSA-N 410.381 3.727 0 50 HHAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2 222000853 LMDBFRHIMRLOTN-VAXMLGTISA-N 417.889 3.710 0 50 HHAA C[C@H]1CN(C(=O)c2ccc(CNc3ncc(Br)cc3F)cc2)C[C@@H](C)O1 239782530 COZACGGLORRCQK-BETUJISGSA-N 422.298 3.845 0 50 HHAA Cc1cc2occ(CC(=O)N[C@@H]3CCCN(C(=O)c4ccco4)C3)c2cc1Cl 827855285 WDMSOJWXRKBZNV-OAHLLOKOSA-N 400.862 3.951 0 50 HHAA O=C1CCc2cc(S(=O)(=O)N3CCC[C@H]3Cc3ccccc3Cl)ccc2N1 1251237155 CGGBRVYQGBDGIO-INIZCTEOSA-N 404.919 3.621 0 50 HHAA O=C(c1ccccn1)[C@@H]1CCCN(Cc2ccc(OCCCn3ccnc3)cc2)C1 1506427624 RIKLCOUTCKOXDJ-OAQYLSRUSA-N 404.514 3.842 0 50 HHAA Cc1nc2ccc(Cl)cn2c1C(=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704353393 VPIXMEUCYSXQGB-UZLBHIALSA-N 420.900 3.520 0 50 HHAA Cc1ccccc1-c1noc(CN2CCN(C(=O)NCC[C@H]3C[C@H]4CC[C@H]3C4)CC2)n1 1875252257 FFUJHIUSOPELOU-UFYCRDLUSA-N 423.561 3.699 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 671088 SJZJXVLQDNJYLV-UHFFFAOYSA-N 420.487 3.736 0 50 HHAA Cc1cc2ccccc2n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc12 783262 OIZNDNWPXYXQJB-UHFFFAOYSA-N 406.467 3.693 0 50 HHAA CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c3ccccc23)CC1 1119853 PAMKKYJTZZKHJU-UHFFFAOYSA-N 410.539 3.922 0 50 HHAA COc1cc(C[C@@]2(CCC(=O)N(C)Cc3ccsc3)CCC(=O)N2)ccc1F 11788863 IMQOJAMYJSJOOV-NRFANRHFSA-N 404.507 3.526 0 50 HHAA COCCN(Cc1cccc2nonc12)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12299944 SPEGKZXTZGURJW-IBGZPJMESA-N 420.557 3.551 0 50 HHAA COC(=O)c1ccc(NC(=O)N2CCC[C@@H](Nc3ccc(OC)c(OC)c3)C2)cc1 12317958 BTHJNNDNMKYUHC-GOSISDBHSA-N 413.474 3.599 0 50 HHAA COc1cccc(C[C@]2(CO)CCCN(CC3=Cc4cc(OC)ccc4OC3)C2)c1 12386295 NWQCCLJPCLAEDN-RUZDIDTESA-N 409.526 3.797 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)N[C@@H](C)Cc2ccsc2)c1=O 12453690 IVOOOUOXSQYILB-INIZCTEOSA-N 417.575 3.580 0 50 HHAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(CC)on2)C1 12594770 GLDIMHYDOBYBLK-NRFANRHFSA-N 404.894 3.919 0 50 HHAA COc1cc(-c2c3c(c(O)c4cc5c(cc24)OCO5)COC3=O)cc(OC)c1OC 14676578 HSSDVCMYTACNSM-UHFFFAOYSA-N 410.378 3.637 0 50 HHAA biogenic,in-vitro O=C1CCN(CCCc2ccccc2)CCN1Cc1cc2c(cc1Cl)OCO2 14886289 QWDNKDXCUHUMMO-UHFFFAOYSA-N 400.906 3.736 0 50 HHAA Cc1ncc(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)s1 15068389 KVSAERJEYBSCQM-UHFFFAOYSA-N 422.554 3.820 0 50 HHAA c1coc(CNc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCC4)c1 20065782 IJVBSORGACQBFN-UHFFFAOYSA-N 407.499 3.770 0 50 HHAA CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 239761361 CJQWUMVRMYTGIH-UHFFFAOYSA-N 410.518 3.867 0 50 HHAA COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O 245309034 ABBALDGNDSAVGV-YPAWHYETSA-N 400.434 3.746 0 50 HHAA C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc(C[C@H]2CCCC2=O)cc1 252536711 JFSPMRQRQOMWKL-IYERYRBDSA-N 418.537 3.509 0 50 HHAA COC[C@H](NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 252537341 KYRLKKDTSBXEHV-NJYVYQBISA-N 408.464 3.618 0 50 HHAA CN(C)CCN(C)CCCN(C)C(=O)Nc1ccccc1N(C)Cc1ccccc1 253424515 HIGPLORMAVRGPY-UHFFFAOYSA-N 411.594 3.670 0 50 HHAA CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2Cl)cc1 499489061 YWLCTHFFYMBTDI-UHFFFAOYSA-N 412.914 3.528 0 50 HHAA O=C(CCS(=O)(=O)c1ccccc1)N1CCCC[C@H]1CCc1cccc(O)c1 952965642 BACNXZZYTAPYMI-IBGZPJMESA-N 401.528 3.570 0 50 HHAA Cc1ccc(NC(=O)CC2CCN(Cc3ccccc3)CC2)cc1NC(=O)CN(C)C 952971143 CKVRHMUBQQGJHA-UHFFFAOYSA-N 422.573 3.736 0 50 HHAA Cc1cc(CN2CCCN(C(=O)[C@@H](Oc3ccccc3)c3ccccc3)CC2)no1 1321082244 VHBZTZWUJAXSDQ-QHCPKHFHSA-N 405.498 3.838 0 50 HHAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cc(Cl)ccc2OC)CC1 1506399308 MCMUOAAXPKMRJY-UHFFFAOYSA-N 401.938 3.913 0 50 HHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cn3c(C4CC4)nc4ccccc43)C1)CC2 1704299095 MPAJEFLFKLGJHB-XMMPIXPASA-N 401.514 3.519 0 50 HHAA C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NC[C@H](CO)Cc1ccccc1F 1875261051 SQNFVYGJGJTSGL-GDBMZVCRSA-N 412.427 3.926 0 50 HHAA C=CC(=O)Nc1cc(C(=O)NCc2cc(Oc3ccc(F)cc3)ccn2)ccc1O 1875374027 XVWHNLOWXFWODA-UHFFFAOYSA-N 407.401 3.773 0 50 HHAA C=CC(=O)NC[C@H](NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1)c1ccc2ccccc2c1 1875386487 RLYARGKYLFAPJX-LADGPHEKSA-N 414.505 3.920 0 50 HHAA CC[C@H]1CCc2c(sc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2C(=O)O)C1 2325852372 CGSSPNJVBPVJOE-VIFPVBQESA-N 401.410 3.815 0 50 HHAA C[C@H](NC[C@@H]1OCCc2ccccc21)c1cnn(-c2cccc(Br)c2)n1 2325854155 QAGVIPAJTDSKNY-XOBRGWDASA-N 413.319 3.994 0 50 HHAA O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 631546 QEMRCLGXBPTDTQ-UHFFFAOYSA-N 423.903 3.615 0 50 HHAA COc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 885110 RPSMYJZGMNMDLZ-UHFFFAOYSA-N 410.495 3.525 0 50 HHAA O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CC[C@@H](c2ccccc2)C1 1156387 QATWCMFUDHETCL-QPPBQGQZSA-N 424.500 3.910 0 50 HHAA COc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@@H]3C2=O)c1 1174241 DAEAVKWGQROMRQ-ZCOIRKDISA-N 423.468 3.835 0 50 HHAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2989617 PYFQQYHMRPMHCN-UHFFFAOYSA-N 407.904 3.779 0 50 HHAA CC1=C(C(=O)OCCOC(C)C)[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 4156643 LIGHBPSQVLWRNY-QFIPXVFZSA-N 424.497 3.862 0 50 HHAA O=C(c1cc(COc2cncc(Cl)c2)on1)N1CCCC[C@@H]1CCn1cccn1 12056672 UAEDWGTZEHJHDF-MRXNPFEDSA-N 415.881 3.584 0 50 HHAA COc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)ccc1OC1CCN(C)CC1 12387804 LURCTNDLPHTZBX-LJQANCHMSA-N 423.435 3.597 0 50 HHAA CCOc1ccc(CN2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1CO 12439615 SFOWJLJQRVAIDN-SFHVURJKSA-N 401.478 3.820 0 50 HHAA NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 13545169 JCZYFHHWNCHRGK-UHFFFAOYSA-N 420.741 3.559 0 50 HHAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)C[C@H](C)O1 15415844 BVAZCHDMKYNAGC-IRXDYDNUSA-N 424.522 3.890 0 50 HHAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 15825125 JYOUCVMWEUCQJK-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@H]2CCCO2)c1 16474922 HUIOSDIIYRWOHY-OAQYLSRUSA-N 406.482 3.667 0 50 HHAA COc1ccc(Br)cc1CN1CCN(C(=O)c2ccccc2F)CC1 19559180 VFDGURLYZBVAHF-UHFFFAOYSA-N 407.283 3.555 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)c(F)c2)CN1Cc1ccccc1Cl 32541529 WSWWCFGOLVICTK-UTKZUKDTSA-N 421.919 3.876 0 50 HHAA FC(F)(F)c1cccc(N2CCN([C@H]3CCCN(Cc4nccs4)C3)CC2)c1 67909761 GHWXLXAEEMHUKF-SFHVURJKSA-N 410.509 3.949 0 50 HHAA Cc1cc(=O)cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)o1 95530306 VUCRVSURLPIADY-SFHVURJKSA-N 402.922 3.628 0 50 HHAA CCN(C(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1)c1ccccc1 101272119 UTMBIBPNLCYUTB-USNOLKROSA-N 404.466 3.815 0 50 HHAA O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169754149 RQABMOHTTRSRSB-OAHLLOKOSA-N 416.859 3.946 0 50 HHAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)NCc1nccn1CCCc1ccccc1 170597324 XEXYYAWUMUIOPN-UHFFFAOYSA-N 420.439 3.898 0 50 HHAA C[C@]12CCC(=O)N1[C@H](C(=O)O[C@H]1CCc3[nH]c4ccc(Cl)cc4c3C1)CS2 252511649 JARBTHBYXNVQEW-JTBRQZTESA-N 404.919 3.676 0 50 HHAA COc1ccccc1C1(F)CCN(C(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)CC1 253426535 HIEVBUFBZFNTCN-UEXGIBASSA-N 406.542 3.616 0 50 HHAA Cc1c(C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)sc2ncnc(O)c12 253623790 LPPMVEHGZWXTBA-IMBTUZDBSA-N 424.570 3.741 0 50 HHAA biogenic COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4cc(C)c(C)cc4C)ccn3n2)c1 263617784 PPGQFJJRCCQNAY-HSZRJFAPSA-N 403.482 3.830 0 50 HHAA Cc1c(OCC(=O)Nc2ccc(Br)cc2)c(=O)ccn1CCC(C)C 409413916 VZOKNHFTRYXGAD-UHFFFAOYSA-N 407.308 3.983 0 50 HHAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cc(CC(C)C)no4)C3)C2=O)c1 426503720 VMTOUHJFFCYNLB-XMMPIXPASA-N 409.530 3.836 0 50 HHAA O=C(N[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)C1)c1cc2ccccc2o1 476306708 MLQXNBIPEFHEFD-GXXOXXGQSA-N 416.521 3.548 0 50 HHAA O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1snc(Cl)c1Cl 816903927 SZLVLUQZTXKNOP-UHFFFAOYSA-N 415.298 3.657 0 50 HHAA CCN1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(Cc2ccccc2Cl)CC1 952870322 WCFWGXBRAWYJFZ-HSZRJFAPSA-N 411.977 3.867 0 50 HHAA Cc1cc(C(=O)N2CCCC[C@H]2CCc2cccs2)cc(S(N)(=O)=O)c1C 1506419083 XBAUODZRJMRYQD-KRWDZBQOSA-N 406.573 3.640 0 50 HHAA Cc1ccc(-c2ccc(C(=O)O)c(N3CCN(c4ncnc(C)c4C)CC3)n2)s1 1529155661 YFTNLPURYGLWAS-UHFFFAOYSA-N 409.515 3.550 0 50 HHAA O=C(NCCCSc1ccccc1)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857736275 IMRVWPXBTYOMPQ-OAHLLOKOSA-N 411.552 3.948 0 50 HHAA CCOC(=O)c1ccc(-c2coc3cc(O[C@H](C)C(=O)OCC)ccc3c2=O)o1 630456 SLXOVRHNEUOARE-GFCCVEGCSA-N 400.383 3.560 0 50 HHAA biogenic CC(=O)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 713415 HMYZFNSVKPXKMO-UHFFFAOYSA-N 400.390 3.665 0 50 HHAA O=S(=O)(c1ccc(Br)cc1Br)n1cnc2ccccc21 1516352 IVHNZAWTCUEBHD-UHFFFAOYSA-N 416.094 3.798 0 50 HHAA CC1(C)C[C@@H](n2c(NCCO)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 2193341 JTZGOIUBGRPUSD-SFHVURJKSA-N 423.557 3.813 0 50 HHAA COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 7387998 NDMNONSSHQJFDO-UHFFFAOYSA-N 409.530 3.951 0 50 HHAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4ccsc4)C3)C2=O)c1 11816635 AYRMWDQNOXOGRM-OAQYLSRUSA-N 402.491 3.551 0 50 HHAA Cc1ccc2c(c1)CN(CCC(=O)N1CCC([C@@H](O)c3ccccc3)CC1)C[C@H](C)O2 11841875 XPTRGIZHCYWHAA-FNZWTVRRSA-N 422.569 3.940 0 50 HHAA Cc1ccn(CC(=O)NC[C@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)n1 12078418 NHXSTXFWYYWAPC-MRXNPFEDSA-N 415.415 3.997 0 50 HHAA Cc1cc(C(=O)NC[C@H]2CCC3(CCN(CC[C@@H](C)c4ccccc4)CC3)O2)n(C)n1 12135792 LMWHMDYKNKMUFL-DENIHFKCSA-N 424.589 3.666 0 50 HHAA C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 13543173 OEKUSRBIIZNLHZ-DJDNIQJZSA-N 406.563 3.657 0 50 HHAA biogenic,in-vitro CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCCc1ccccc1OC)C2 14752282 KLPXAOFJXNHNQF-FQEVSTJZSA-N 424.589 3.617 0 50 HHAA CC(C)c1csc(CN2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)n1 15062247 KCMQCZHPFPSHAB-SFHVURJKSA-N 407.605 3.598 0 50 HHAA COc1ccccc1CCN1CCC[C@H](CN(C)Cc2cnc(N(C)C)s2)C1 15064200 NXCVHWBPSMKKNU-GOSISDBHSA-N 402.608 3.604 0 50 HHAA O=C(c1nc2ccc(Cl)cn2c1CNC[C@@H]1CCCO1)N1CCCCCCC1 20167107 OEPLESHKVNLZHD-KRWDZBQOSA-N 404.942 3.663 0 50 HHAA C[C@H]1Cc2cccc3c(=O)c(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cn1c23 33089123 CCRXLOPNOJZSST-HNNXBMFYSA-N 407.901 3.734 0 50 HHAA CCc1oc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)cc1CN1CCCC1 55053177 POPNQHMSDHAKND-UHFFFAOYSA-N 416.566 3.560 0 50 HHAA COc1ccc(CN2CCN(Cc3nc(-c4ccc(F)cc4)oc3C)CC2=O)cc1 55385585 LQLGLYZLNGGHQL-UHFFFAOYSA-N 409.461 3.642 0 50 HHAA COc1ccc(CCN(C)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1OC 61136937 LGUIAVBKOKIZBZ-UHFFFAOYSA-N 407.514 3.880 0 50 HHAA O=C(Cc1ccccc1)Nc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1Cl 100750478 QTFQBJPWHLKKBR-PBFVBANWSA-N 406.869 3.833 0 50 HHAA O=C1[C@H]2[C@@H](c3ccc(Cl)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(Cl)cc1 138542607 CHMYTBHWHYXYCO-RCCFBDPRSA-N 402.281 3.529 0 50 HHAA CCN1C[C@H](COC(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)CC1=O 170594800 IWODEHAKYHPSOC-CDHAZOANSA-N 400.302 3.873 0 50 HHAA COCCn1c(CCNC(=O)CC2(n3cccc3)CCCCC2)nc2ccccc21 218566328 UISNQSHSWQOYAS-UHFFFAOYSA-N 408.546 3.893 0 50 HHAA Cn1cccc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1ccc(CN2CCCC2)cc1 225388198 YLSPPSAHOKWCCI-JOCHJYFZSA-N 423.557 3.863 0 50 HHAA CC(C)Cn1ccc2c(NC(=O)C[C@H]3N=C(O)N(Cc4ccccc4)C3=O)cccc21 252523275 CGGGOGMANRUULE-HXUWFJFHSA-N 418.497 3.951 0 50 HHAA COc1ccc(C[C@H]2CCCN(S(=O)(=O)c3ccc(C)c(NC(C)=O)c3)C2)cc1 462492112 FYIGIENHKSJXLN-LJQANCHMSA-N 416.543 3.605 0 50 HHAA Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 670460978 FMWPAMMFJCJUGG-KRWDZBQOSA-N 417.912 3.897 0 50 HHAA Cc1ccc(CN(CCC2=CCCCC2)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 823698115 CPOGMFWPVDSEPW-QHCPKHFHSA-N 411.590 3.624 0 50 HHAA COc1ccccc1CC(=O)NC[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 952978077 DEXAQVFYLRTOQS-LJQANCHMSA-N 403.526 3.814 0 50 HHAA CCOC(=O)CCC[C@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21 1775998017 YHPSYINJHIJDFP-HSZRJFAPSA-N 404.470 3.804 0 50 HHAA Cc1cccc2c1c(CCNC(=O)[C@@H]1CCc3[nH]nc(C(F)(F)F)c3C1)cn2C 1875305662 WZIPBWHJYUKHSZ-CYBMUJFWSA-N 404.436 3.692 0 50 HHAA C[C@@H](CCNC(=O)CCC(=O)c1cccs1)NC(=O)[C@@H](C)c1ccccc1F 2325826022 LYCVKAHGTJDRBW-GJZGRUSLSA-N 404.507 3.665 0 50 HHAA Cc1cccc(C(F)(F)C(=O)N[C@@H](C)c2cn(-c3cc(N)ccc3Cl)nn2)c1 2325850920 KZUISELUWGRNJB-LBPRGKRZSA-N 405.836 3.781 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)c(C)c1 1071112 FPWUSCLUZJIQLF-UHFFFAOYSA-N 419.572 3.963 0 50 HHAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 1155472 MFLYECSVPIDSEF-UHFFFAOYSA-N 424.925 3.683 0 50 HHAA CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 2735989 SMICDIOYSHZUMR-CQSZACIVSA-N 413.499 3.979 0 50 HHAA CCNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@]12C(=O)N(C)c1ccccc12 6624395 LVMAVCBWSIAXNB-QFIPXVFZSA-N 408.889 3.629 0 50 HHAA biogenic O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCN(c2ccccc2)CC1 8608423 PKGDZJLEAGHUTM-UHFFFAOYSA-N 409.511 3.730 0 50 HHAA COCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(C)o3)C2)s1 12297463 HENAGFSUIAFUBO-INIZCTEOSA-N 404.532 3.745 0 50 HHAA COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@H](C)Cc2cccnc2)no1 12303906 SOZWQAUJGSJSBW-CYBMUJFWSA-N 401.850 3.672 0 50 HHAA CCCN(Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1)CC1CC1 12306889 DWNACIRYSKEHLH-UHFFFAOYSA-N 403.592 3.983 0 50 HHAA C/C=C(\C)CNc1cnc2c(c1)c(NC(=O)CC(C)C)c(C(=O)OC)n2CCOC 14743082 NIIDWRTWDDDJGC-VIZOYTHASA-N 416.522 3.832 0 50 HHAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 14744468 BZJWBYGDMBOPME-HXUWFJFHSA-N 420.557 3.722 0 50 HHAA CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 17089157 NBCMBGKHRJMGEP-HOTGVXAUSA-N 412.467 3.809 0 50 HHAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19973803 DNKCFIFHOSXMKJ-KSSFIOAISA-N 411.329 3.651 0 50 HHAA COc1ccccc1N1CCN(CCNC(=O)Nc2cc(C)ccc2Cl)CC1 55538319 RJTXXZXVMWSEAP-UHFFFAOYSA-N 402.926 3.601 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1Cl 67614196 YEPCAZDQNOWOBS-UHFFFAOYSA-N 410.923 3.622 0 50 HHAA CCOC(=O)[C@@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O 82104947 PYNXFZCZUAOOQC-UWJYYQICSA-N 411.498 3.835 0 50 HHAA in-vitro C=Cc1ccc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cc1 95354964 WJBNAUGKYZVUPO-TUACAJSNSA-N 402.494 3.761 0 50 HHAA Cc1ccc(-c2ccc3nnc(CNC(=O)Cc4ccccc4Cl)n3n2)cc1C 169778586 VCBUPRJBEDIERC-UHFFFAOYSA-N 405.889 3.920 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C(N)=O)C1 239164782 MXASBNLPNWRENT-FRRDWIJNSA-N 404.532 3.604 0 50 HHAA COc1ccccc1C(=O)N1[C@H](C(=O)Nc2cccc3nonc23)C[C@@H]2CCCC[C@H]21 253395717 GJFGQJAXKOKWPZ-KYNGSXCRSA-N 420.469 3.643 0 50 HHAA COCCn1ccc2c(OCC(=O)NCCc3c[nH]c4ccc(OC)cc34)cccc21 263585956 OFBKZAWWLXVKEC-UHFFFAOYSA-N 421.497 3.515 0 50 HHAA biogenic Cn1cc([C@H]2[C@H](CNCc3cc(F)cc4cccnc34)CC(=O)N2C(C)(C)C)cn1 328608434 YZZFWLYWOLGNGL-HTAPYJJXSA-N 409.509 3.585 0 50 HHAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccn(-c2ccccc2Cl)n1 489045963 RAEDZUKGMDNQRT-LJQANCHMSA-N 421.888 3.693 0 50 HHAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c2)o1 670461423 CCQLCKJDJUKUJZ-RBUKOAKNSA-N 403.548 3.501 0 50 HHAA O=C1C[C@H]2N(Cc3ccccc3C(F)(F)F)CC[C@]23OC[C@@H](c2ccccc2)N13 1857729424 AGQZKIPPTYHSSB-ZVDOUQERSA-N 402.416 3.980 0 50 HHAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NCCCOC1CCCCC1 1857730224 MGRKASHCTCALLA-KRWDZBQOSA-N 400.523 3.685 0 50 HHAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc(-c2ccccc2F)nc2onc(C3CC3)c12 2325738524 XCHNFWJAYSQPSE-AWEZNQCLSA-N 417.444 3.917 0 50 HHAA CCCCOc1ccccc1C(=O)N1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 2356157961 AABSLNCRSDNMKJ-XMMPIXPASA-N 408.546 3.842 0 50 HHAA O=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccc(Br)cc1 639144 NCXZRBMCRSKOTR-UHFFFAOYSA-N 422.076 3.804 0 50 HHAA CCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 885006 ARQWWFIPZCQDHI-UHFFFAOYSA-N 424.522 3.597 0 50 HHAA CC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)ccc2C(C)C)CC1 1071165 MDBPWUBAVKPIAN-UHFFFAOYSA-N 409.530 3.804 0 50 HHAA CC(C)(C)c1ccc(OC[C@@H](O)CNC(=O)c2ccc(Br)cc2)cc1 1128949 MTEYRMVNZOKHBM-KRWDZBQOSA-N 406.320 3.916 0 50 HHAA Cc1ccccc1N1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1295790 PYBHVKNHDKMSIR-SJORKVTESA-N 410.417 3.626 0 50 HHAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2757079 UPNCJAGKAHYGAH-YADHBBJMSA-N 404.510 3.587 0 50 HHAA Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/N=C(c4ccco4)OC3=O)cc2)cc1 2822976 QMPHEWFUUCATKQ-QGOAFFKASA-N 409.419 3.700 0 50 HHAA O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(O)c2ccccc2n1 5349875 VXOJNWIYJDGAIT-UHFFFAOYSA-N 424.932 3.536 0 50 HHAA CCSc1nnc2c(n1)O[C@@H](c1cccn1C(C)=O)N(C(C)=O)c1ccccc1-2 5909017 MHGODEJLUUNIJV-IBGZPJMESA-N 409.471 3.556 0 50 HHAA COc1cccc(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CCC2=O)c1 12037884 VAUJHGSUARXWJK-UHFFFAOYSA-N 406.404 3.589 0 50 HHAA Cn1c(CCNC(=O)[C@H]2CCOC(C)(C)C2)nnc1SCc1cccc(Cl)c1 12166299 WCIDLIJAUWCVPT-HNNXBMFYSA-N 422.982 3.625 0 50 HHAA CSCCCN1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 12302122 ZCXYARUFIAYZNP-JOCHJYFZSA-N 403.636 3.576 0 50 HHAA O=C(N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)C1(N2CCCC2)CCCC1 12387676 ZPQVSJOYNOMZIT-KRWDZBQOSA-N 410.484 3.594 0 50 HHAA O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(C(=O)c2ccccn2)CC1 12435504 AMEPJPKRXCXBPL-UHFFFAOYSA-N 402.454 3.760 0 50 HHAA Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)cn1 14532483 INKZVSLPKPGBHG-HSZRJFAPSA-N 421.541 3.593 0 50 HHAA O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2 14961726 HLPZGUTWHWEXHU-IBGZPJMESA-N 406.482 3.615 0 50 HHAA C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 17081942 RVILCFUXZKBGNF-ZDUSSCGKSA-N 400.500 3.606 0 50 HHAA Cc1cc(Cl)c(OCCOCCN2C[C@H](C)O[C@@H](C)C2)c(Br)c1 20167364 QJTBMVAPMZROQY-KBPBESRZSA-N 406.748 3.916 0 50 HHAA Cc1cccc(CN2CCN(C(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)CC2)c1 20616159 VBJKJSDYMSTGIE-UHFFFAOYSA-N 422.476 3.920 0 50 HHAA Cc1ccccc1CCN1CCC[C@@H](CN(C)Cc2ccc(N3CCNC3=O)cc2)C1 55183312 QISPJOWAWNJVIT-QHCPKHFHSA-N 420.601 3.911 0 50 HHAA CCn1cc(-c2cc(C(=O)N3CCCN4CCC[C@H]4C3)c3cccc(C)c3n2)cn1 63882042 OEYDLHGFJVSADV-IBGZPJMESA-N 403.530 3.737 0 50 HHAA O=C(CCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 100082281 MNOAGBVLHAFMBY-RYUDHWBXSA-N 401.677 3.840 0 50 HHAA O=C(c1ccc(Cl)nc1OC1CCC1)N1CCC[C@H](c2nnc3ccccn23)C1 170595940 XKOKNYODDWXFRH-AWEZNQCLSA-N 411.893 3.729 0 50 HHAA CC(C)(C)OC(=O)NCc1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)co1 170602281 SMHMOJZWVDLNHB-UHFFFAOYSA-N 401.438 3.897 0 50 HHAA Cc1ncc(Br)c(C(=O)N2CCC(CCN3CCCC[C@H]3C)CC2)n1 170608070 ZQBIILDJWGNUSB-CQSZACIVSA-N 409.372 3.664 0 50 HHAA C[C@H](CC(=O)N1CCCc2cc(Br)ccc21)NC(=O)c1ccccc1 242106194 WHTOZDQJMABGFN-CQSZACIVSA-N 401.304 3.937 0 50 HHAA Cn1c(C(=O)N2CCC[C@H](N3CCCCC3=O)C2)cc2cc(C(F)(F)F)ccc21 742667102 QBFQZLIBOLOHDU-INIZCTEOSA-N 407.436 3.814 0 50 HHAA COc1cc(-n2cnnn2)cc(-n2ccnc2-c2ccc(CC(F)(F)F)cc2)c1 1857687059 JMWMZCPNADRORH-UHFFFAOYSA-N 400.364 3.628 0 50 HHAA Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc(-n2ccnc2C)ccn1 2325702310 DGOQKBFXBWCZPK-UHFFFAOYSA-N 407.543 3.685 0 50 HHAA O=C(NC[C@@H]1CCCN(C2=NCCN2Cc2ccccc2)C1)Nc1cccc(F)c1 2325842307 UGEGLCYZCCSZCY-IBGZPJMESA-N 409.509 3.531 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1 670606 MAUYIICIMLMZQS-UHFFFAOYSA-N 403.685 3.862 0 50 HHAA CCc1nc2ccccc2n1C[C@H](O)COc1ccc(I)cc1 1050023 OGLUCGQGVRXQDW-AWEZNQCLSA-N 422.266 3.643 0 50 HHAA Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c(C)c2c1 1128724 AOKBBEZPYGUQKT-UHFFFAOYSA-N 422.466 3.893 0 50 HHAA Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)c1cccnc1 1153944 XWYZEXIBNKYBRW-UHFFFAOYSA-N 422.901 3.904 0 50 HHAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 2765922 RJTBEHDMKQEGKJ-NHCUHLMSSA-N 401.466 3.823 0 50 HHAA CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Cl 4653382 MSUCDDXSSCZWCT-INIZCTEOSA-N 402.299 3.966 0 50 HHAA CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N(C)Cc3ccncc3C)nc(C)c2c1 11790775 HVEBXWSZKXTNJI-JOCHJYFZSA-N 419.529 3.668 0 50 HHAA Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(F)c2)c2cccnc2)ccc1F 11907076 PKRHDWLDBHUBAY-FQEVSTJZSA-N 416.449 3.613 0 50 HHAA C[C@H](Cc1cnccn1)NC(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1 12074810 WKAKEUUHPAEUEZ-GOSISDBHSA-N 410.562 3.727 0 50 HHAA CCCCCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 12377508 JSTVRADCSKTFMO-UHFFFAOYSA-N 420.966 3.960 0 50 HHAA C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 12383198 KZEKOOLPBSZVKS-MLHJXZIMSA-N 409.485 3.614 0 50 HHAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 15066453 RHJPFAGOXIMVAX-UHFFFAOYSA-N 420.513 3.507 0 50 HHAA CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2cnn(C)c2)CC1 15076558 FHYAHIFPUUSCOT-UHFFFAOYSA-N 409.452 3.827 0 50 HHAA Cc1cccc(N2CCN(C(=O)c3cn4c5c(cccc5c3=O)C[C@H]4C)CC2)c1C 33089150 ZDDFRIMQFRANTN-QGZVFWFLSA-N 401.510 3.698 0 50 HHAA COc1ccc(CNc2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)cc1 40287037 IKCLVEYKEMUUEO-UHFFFAOYSA-N 408.527 3.726 0 50 HHAA Cc1cccc2c(C(=O)N(Cc3nccn3C)C(C)C)cc(-c3cncnc3)nc12 63884105 ORBLAVWLNWCEDZ-UHFFFAOYSA-N 400.486 3.785 0 50 HHAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CC(=O)N(C1CCCCC1)C1CCCCC1 100609087 HVKBCQRKIKYMBQ-RTBURBONSA-N 406.954 3.998 0 50 HHAA O=S(=O)(C1CC1)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 148469352 VASICDYHZRSWQB-QGZVFWFLSA-N 424.522 3.743 0 50 HHAA C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 245237173 FWZCQWCDPGAPFG-RYRKJORJSA-N 412.500 3.696 0 50 HHAA O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCCC[C@H]1c1nc2ccccc2s1 257364952 LOYNAKXBMJBQPO-MOPGFXCFSA-N 420.538 3.944 0 50 HHAA CCCn1c(=O)c(CNCC2(N3CCOCC3)CCCCC2)cc2ccc(C)cc21 299769997 KQSJIZZGXQLOSD-UHFFFAOYSA-N 411.590 3.845 0 50 HHAA Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3c(F)cccc3Br)n2)c1 428610413 KCRZTOLMMJWNGB-JTQLQIEISA-N 404.243 3.568 0 50 HHAA O=C(Nc1ccccc1C(=O)N1CCCCC1)N[C@H]1COc2c(F)cc(F)cc2C1 1345085555 RBRRDGYENSMLGG-MRXNPFEDSA-N 415.440 3.716 0 50 HHAA CC(C)Oc1ccc([C@@H](C(=O)O)N2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 1506404730 VHDJRJSKAZVAEZ-NRFANRHFSA-N 404.457 3.696 0 50 HHAA Cc1cccc(Nc2nc(N)nc(CN3CCC([C@@H](O)c4cccs4)CC3)n2)c1 1529189721 VNEYAUKMACOCMG-LJQANCHMSA-N 410.547 3.513 0 50 HHAA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)NC[C@@H]1CC(=O)Nc2ccccc21 1875263325 CLDLYPKAJPEMDH-UWJYYQICSA-N 413.493 3.653 0 50 HHAA NC(=O)c1cccc(NC(=S)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1 1875341167 IUFSNBGIIXTRIM-UHFFFAOYSA-N 423.538 3.581 0 50 HHAA C[S@@](=O)Cc1c(C(=O)Nc2cccc3c2OCC[C@H]3O)sc2ccccc12 2325738512 MHWXLVBJLJAKMM-CHAGWJKLSA-N 401.509 3.848 0 50 HHAA Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2cc3cc(Cl)ccc3n2C)s1 2325853974 JNBLPUIAOOYTOS-OAHLLOKOSA-N 420.947 3.750 0 50 HHAA Cc1c(-n2c(-c3ccccc3)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C 1211060 MKUJBUYVYUATPM-UHFFFAOYSA-N 408.461 3.851 0 50 HHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2554989 NHLRMCFWGFPSLT-IBGZPJMESA-N 411.454 3.710 0 50 HHAA in-vitro CC(=O)Nc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 2856179 YXINEQPBVMHGGL-UHFFFAOYSA-N 423.494 3.722 0 50 HHAA O=C(N[C@H]1CSC[C@H]1OC(=O)c1ccc(Br)cc1)c1ccccc1 2858419 JAFCXLJLZNJFAE-JKSUJKDBSA-N 406.301 3.520 0 50 HHAA Cc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(-n4c(C)ccc4C)s3)C2)cc1 6806153 YZBDFGQVXITJFZ-IBGZPJMESA-N 409.559 3.787 0 50 HHAA COCc1ccc(CN2CCC[C@@H](CCC(=O)NCc3cccc(OC)c3)C2)o1 11816814 RFGKIWZZLKJMGW-SFHVURJKSA-N 400.519 3.743 0 50 HHAA Cn1cc(CN2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)cn1 12073190 DGORRMKRDRFXAK-UHFFFAOYSA-N 416.953 3.743 0 50 HHAA CSc1ccccc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)NCCCc1ccncc1 12243627 ANLZRZMVPZIDND-FQEVSTJZSA-N 423.582 3.795 0 50 HHAA O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1Cc1ccc(CO)o1 12387721 IFRWFYZAUSFWAK-JOCHJYFZSA-N 407.470 3.952 0 50 HHAA COC(=O)CCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2)C1 12713153 AZVZRLKEIYAMKM-DEOSSOPVSA-N 400.563 3.968 0 50 HHAA Cc1nonc1CNC1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 14982033 QGIUHNBAXNMMPL-KRWDZBQOSA-N 419.529 3.628 0 50 HHAA Cn1cc(CN2CCOc3ccc([C@H](O)c4c(F)cccc4Cl)cc3C2)cn1 15067052 FZTTUPGYRFZQLB-NRFANRHFSA-N 401.869 3.689 0 50 HHAA Cc1cc(Cl)c(OCCOCCN2C[C@H](C)O[C@H](C)C2)c(Br)c1 16247566 QJTBMVAPMZROQY-OKILXGFUSA-N 406.748 3.916 0 50 HHAA CC(=O)c1cccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)c1 20236037 XCZXTNPTBSOQFI-UHFFFAOYSA-N 403.486 3.570 0 50 HHAA CCc1ccccc1N1C(=O)C[C@H](SCC(=O)Nc2ccc(Cl)cc2)C1=O 101134027 ZCRWDHDLPVCWOZ-KRWDZBQOSA-N 402.903 3.906 0 50 HHAA N[C@@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1 170673828 MJULFQGSWHUCEO-HXUWFJFHSA-N 416.449 3.577 0 50 HHAA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC(c2nc(-c3ccncc3)no2)C1 227155438 DUAINUSSIXYBQB-UHFFFAOYSA-N 418.478 3.587 0 50 HHAA COC(=O)C[C@H](c1ccco1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O 253401942 FXZFBDCKYUXURQ-GOSISDBHSA-N 420.465 3.874 0 50 HHAA biogenic COCCn1ccc2c(OCC(=O)NCCCn3ccc4ccccc43)cccc21 263588728 XTXVARNLCVHBEC-UHFFFAOYSA-N 405.498 3.828 0 50 HHAA COc1ccc(CC2=NO[C@H](C(=O)N(C)Cc3cc(-c4ccccc4)on3)C2)cc1 299774389 GWMUYQRYGJWMKF-QFIPXVFZSA-N 405.454 3.696 0 50 HHAA O=C(O)c1cn([C@@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)nn1 400212787 CWGQWEGKXXMZQF-OAHLLOKOSA-N 418.453 3.562 0 50 HHAA CC1(C)C(=O)Nc2ccc(C(=O)NCc3nccn3CCCc3ccccc3)cc21 426657433 ORAYXZLGBVYXJT-UHFFFAOYSA-N 402.498 3.676 0 50 HHAA COc1cccc(OC2CN(C(=O)c3cc(C)sc3NC(=O)C(C)(C)C)C2)c1 952989768 SHJKGANRRJXNKQ-UHFFFAOYSA-N 402.516 3.953 0 50 HHAA O=C([C@H]1CCCN(c2ccccn2)C1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506400397 UPYXPECQZDTVTG-KRWDZBQOSA-N 407.493 3.720 0 50 HHAA O=C(Cc1c(F)cc(F)cc1F)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529092615 VTNBZSAVLIAKFN-SZNDQCEHSA-N 400.400 3.569 0 50 HHAA COC(=O)c1n[nH]c2ccc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc12 2325822882 UMGQJDYMZNYJKK-UHFFFAOYSA-N 413.861 3.687 0 50 HHAA Cc1cc(C)c2c(C)c(C(=O)N[C@@H](CCc3c[nH]nc3C(F)(F)F)C(=O)O)[nH]c2c1 2325877640 WDFYCIJUMQNZRJ-ZDUSSCGKSA-N 422.407 3.651 0 50 HHAA O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCC[C@]12CCCNC2=O 2356164665 BUWDNQLKHILWJA-SFHVURJKSA-N 409.433 3.714 0 50 HHAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1C 715556 UJLORLRMVJKFMV-UHFFFAOYSA-N 405.863 3.998 0 50 HHAA COc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OC[C@@H]4CCCO4)c3C)C2)cc1OC 1070377 VQMRMSKFTNTPFH-CVEARBPZSA-N 413.470 3.589 0 50 HHAA CCOC(=O)COc1ccc2c(=O)c(Oc3ccc(C(=O)OCC)cc3)coc2c1 1125275 KVYBZGGMFRVSAI-UHFFFAOYSA-N 412.394 3.704 0 50 HHAA biogenic COc1ccc(Cl)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 1174014 IZHKLMHJBHODTJ-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 2755791 YDEASFBAMOEKPB-UHFFFAOYSA-N 413.275 3.905 0 50 HHAA CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 2835521 NAIZTPSLFULILA-UHFFFAOYSA-N 417.314 3.651 0 50 HHAA O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 3015217 IMQXNLXFMIABRV-UHFFFAOYSA-N 414.414 3.577 0 50 HHAA CCC(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1ccccc1OC 4036285 WYLXPXPYIUHXJV-IBGZPJMESA-N 415.515 3.545 0 50 HHAA Cc1nn(CCCC(=O)Nc2ccc(F)cc2)c(C)c1I 4776145 FGATUQQIXKJLRZ-UHFFFAOYSA-N 401.223 3.663 0 50 HHAA CCOc1cccc2cc(C(=O)N3CCN(c4ccccc4CC)CC3)c(=O)oc12 4858294 FJBBQMHDZAGPNW-UHFFFAOYSA-N 406.482 3.717 0 50 HHAA COc1ccccc1C(=O)N(Cc1ccc(C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 4990976 HXXJZEOPKOOIFU-LJQANCHMSA-N 401.528 3.648 0 50 HHAA CN(C[C@@H]1CCCCO1)C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 11881828 GFWDCEIWIMWELA-DHLKQENFSA-N 408.542 3.839 0 50 HHAA O=C(CCc1nc2ccccc2s1)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 12079971 KAVODIHXTVXSMU-QGZVFWFLSA-N 416.506 3.806 0 50 HHAA O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccc(F)cc1 12099406 IAEUTGPQXMPGIS-SFHVURJKSA-N 418.896 3.921 0 50 HHAA Cc1cccc(C[C@H](C)NC(=O)c2cc(COc3ccc4ncccc4c3)on2)n1 12318491 NZSKGEVVJXUVRH-INIZCTEOSA-N 402.454 3.866 0 50 HHAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(c2nnc3ccccn23)CC1 12408291 UAZXAYMGVTUJRK-UHFFFAOYSA-N 411.314 3.604 0 50 HHAA Cc1c([C@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)cnn1-c1cccc(F)c1 12466743 KQEHVTLURILDBD-HNNXBMFYSA-N 406.461 3.938 0 50 HHAA Cn1cnnc1SCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 12588361 WTEHVWDYTMEMFH-HXUWFJFHSA-N 420.538 3.696 0 50 HHAA O=C(C1CCN(C2CCN(Cc3cccc4cccnc34)CC2)CC1)N1CCCC1 12760221 UDLUHOPCWKILAS-UHFFFAOYSA-N 406.574 3.534 0 50 HHAA O=C1[C@@H]2C[C@@H](CN2C2CCN(CCc3ccccc3)CC2)N1c1ccccc1Cl 19300051 MJOCJYDSXXOABU-REWPJTCUSA-N 409.961 3.837 0 50 HHAA Cc1nn(C)c(Cl)c1CN1CCC(=O)N(Cc2ccccc2C(F)(F)F)CC1 19537801 DOSBDWKARPQZBE-UHFFFAOYSA-N 414.859 3.635 0 50 HHAA Cc1c(CN2CCC[C@@H](N(C)CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C 20166095 NSFZYIILAWDYSK-XMMPIXPASA-N 418.585 3.623 0 50 HHAA C[C@@H]1CCc2nc3sc4c(c3c(C(F)(F)F)c2C1)NC(=O)[C@H]1CCCN1C4=O 65363262 SITCJWNNOTZCNP-LDYMZIIASA-N 409.433 3.997 0 50 HHAA C[C@H]1C(=O)N(C[C@@H](O)COc2cccc3ccccc23)C(=O)N1c1ccc(F)cc1 170124199 VUVVBJHSPNTYTJ-HNAYVOBHSA-N 408.429 3.576 0 50 HHAA CC(C)[C@]12CC[C@@](C)(O1)[C@@H](Oc1cccc(Cl)c1CNC(=O)[C@@H]1C[C@@H]1C(=O)O)C2 221672296 YVYOHLNJGLJXES-BZSJDKIMSA-N 421.921 3.792 0 50 HHAA CC(C)Cn1cnc(S(=O)(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c1 222140031 BJFUIAAQWHLWPQ-VQTJNVASSA-N 405.564 3.596 0 50 HHAA Clc1cccc([C@H](CNc2cc(N3CCCCC3)ncn2)N2CCOCC2)c1 301258257 OAZIRUXDIAXOQB-IBGZPJMESA-N 401.942 3.606 0 50 HHAA CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCOCC2)CC1 886024171 QWWPPLKLWCLNKY-VABKMULXSA-N 414.590 3.719 0 50 HHAA Nc1c(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cnn1-c1ccccc1 1466637088 MFFWYFWKSPXTFB-UHFFFAOYSA-N 411.465 3.637 0 50 HHAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCOC[C@@H](CN2CCCCCC2)C1 1857672578 GIGFGECSZGVXJH-FQEVSTJZSA-N 411.546 3.544 0 50 HHAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 1857724533 GMTVETJWMMQYLS-UHFFFAOYSA-N 406.511 3.734 0 50 HHAA Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 671186 JOVNIQYXUVNRAH-UHFFFAOYSA-N 414.458 3.952 0 50 HHAA CCn1c(SCC(=O)Nc2ccccc2OC)nc2sc(C)c(C)c2c1=O 976458 HYXMHQSSFTUSNH-UHFFFAOYSA-N 403.529 3.834 0 50 HHAA Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1 1158201 NXHKWHOXSSDQQF-UHFFFAOYSA-N 406.935 3.996 0 50 HHAA COc1ccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1OC 2817138 CPYWRTFIGZKROL-UHFFFAOYSA-N 419.927 3.708 0 50 HHAA COc1ccc(NC(=O)Nc2ncn(Cc3ccc(F)cc3Cl)n2)c(OC)c1 2852356 PPPLPBCXRYECSO-UHFFFAOYSA-N 405.817 3.780 0 50 HHAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)c1C 4750082 CUEVBXKBNJQISB-UHFFFAOYSA-N 407.398 3.623 0 50 HHAA O=C(NCCc1ccc(Cl)cc1)c1cccn1-c1nnc(N2CCCCC2)s1 8619179 HUVXGOOTUKCZQM-UHFFFAOYSA-N 415.950 3.945 0 50 HHAA CN1CCC(N2CCC(Oc3cccc(C(=O)NCCc4ccccc4)c3)CC2)CC1 11838383 YOESZYNQZFJLHR-UHFFFAOYSA-N 421.585 3.597 0 50 HHAA CC(=O)c1ccc(-c2nnc(CCC(=O)N3CCC[C@H](C(=O)CC(C)C)C3)o2)s1 11932898 BXTWWPKVXOVMQN-HNNXBMFYSA-N 417.531 3.787 0 50 HHAA COc1ccc(CNC(C2CC2)C2CC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12056940 QRPWIRVIBQAOGJ-QHCPKHFHSA-N 424.585 3.845 0 50 HHAA Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCCN2CCCCC2=O)cc1C 12298529 PTYUDJAGLRKKDD-OAQYLSRUSA-N 408.546 3.775 0 50 HHAA CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@H]1CCCN(Cc2ccccc2F)C1 12305675 QQXYHPSUJGFGLE-KRWDZBQOSA-N 400.885 3.863 0 50 HHAA CC(C)c1cc(CNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)on1 12586182 LUGPJFYAEDIIDS-UHFFFAOYSA-N 411.502 3.508 0 50 HHAA COCc1cc(CN2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)ccc1OC 12717760 ASKWYPXFBXZFND-IBGZPJMESA-N 413.514 3.954 0 50 HHAA CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H](NCCc1ccccc1)CC2 14749351 QINFNDGIWANDKC-OAQYLSRUSA-N 408.590 3.855 0 50 HHAA CCOc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)ccc1OC 39537753 ADXLVOTUAZNDBQ-HSZRJFAPSA-N 412.574 3.595 0 50 HHAA COc1cccc([C@]2(CN(CCCn3ccnc3)Cc3ccncc3)CCOC2)c1 63869950 JURYNZMZYSFEDZ-DEOSSOPVSA-N 406.530 3.537 0 50 HHAA CN(C)CCOc1cccc(CC(=O)Nc2cc(CCc3ccccc3)ccn2)c1 225415173 MTOWWYBNKFYCJD-UHFFFAOYSA-N 403.526 3.988 0 50 HHAA CC(C)(C)OC(=O)N1C[C@H](CNCCCCc2cccc(C(F)(F)F)c2)[C@@H](O)C1 239359523 AEKXSPKYFKQMGD-WMZOPIPTSA-N 416.484 3.846 0 50 HHAA COc1ccccc1-c1ccnc(C2CCN(C(=O)[C@@H]3C[C@H]4CCCCN4C3)CC2)n1 952893900 ONQRFVVPHFNAHQ-WOJBJXKFSA-N 420.557 3.733 0 50 HHAA COC(=O)c1ccc(CNC(=O)Cc2c(-c3ccccc3)oc3c(=O)cc(C)oc23)o1 1772491530 IDORRAMBXVPTNK-UHFFFAOYSA-N 421.405 3.600 0 50 HHAA O=C(CCc1cccc(F)c1)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857730145 ZEKRHQZTPAJWIU-PCCBWWKXSA-N 402.897 3.742 0 50 HHAA C=CC(=O)NC[C@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccc2ccccc2c1 1875383057 DXDXRULCJKKTRW-UNMCSNQZSA-N 418.468 3.690 0 50 HHAA Cc1cc(C2CCN(S(=O)(=O)Cc3cccc(Br)c3C)CC2)on1 2325819084 QQVBKTUQOGRGCS-UHFFFAOYSA-N 413.337 3.763 0 50 HHAA CCc1nc(C)c(C(=O)N2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)s1 2356133851 HSCRCJRDJCSODS-UHFFFAOYSA-N 416.543 3.735 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3ccc(CN4CCCC4)o3)CC1)OCC2 2356157751 PBMYFERQCFPWFZ-UHFFFAOYSA-N 410.514 3.588 0 50 HHAA COc1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)c(OC)c1 825520 OCFUHKWZVNECGM-UHFFFAOYSA-N 422.201 3.629 0 50 HHAA O=C(O)c1ccccc1NC1=C(Cl)C(=O)N(c2ccc(Br)cc2)C1=O 946318 DFHVCAKPZOKNHX-UHFFFAOYSA-N 421.634 3.583 0 50 HHAA CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1010421 PDGLJDOBGSTPIX-UHFFFAOYSA-N 414.512 3.642 0 50 HHAA CCOC(=O)[C@H](Oc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C)c1ccccc1 1119900 RPPXQTGHESHQQJ-JOCHJYFZSA-N 424.449 3.809 0 50 HHAA biogenic COC(=O)C(C)(C)[C@@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)c1ccco1 2376605 NQARFGOSJHMIAE-LSDHHAIUSA-N 421.243 3.743 0 50 HHAA N=C1NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)S1 2949066 OHTQOYFOSDLEDB-WQRHYEAKSA-N 410.476 3.746 0 50 HHAA O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)c1ccccc1 4035444 MYOVEBZFTFNEFG-UHFFFAOYSA-N 405.838 3.767 0 50 HHAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCC(=O)c1ccccc1 4070887 UIUAAXPPKGAJKV-UHFFFAOYSA-N 401.418 3.642 0 50 HHAA CCOC(=O)c1ccc(NC(=O)CSc2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 9704214 KPSRLOOUBFYJPL-UHFFFAOYSA-N 417.512 3.509 0 50 HHAA CN1CCC(O)(c2ccc3c(c2)CN(Cc2c(F)cccc2Cl)CCO3)CC1 11814981 HLSOIWQHTWSTHC-UHFFFAOYSA-N 404.913 3.787 0 50 HHAA COCc1ccc(C(=O)N2CCOc3c(cc(-c4cccc(OC)n4)cc3OC)C2)o1 11912565 YVWYKHDQUJNABR-UHFFFAOYSA-N 424.453 3.540 0 50 HHAA CCCCn1c(CN2CCC(Oc3ccccc3F)CC2)cnc1S(=O)(=O)CC 11936801 VQTCATBVTQJOIF-UHFFFAOYSA-N 423.554 3.659 0 50 HHAA Cc1c(C(=O)N(C)C(C)C)sc2ncnc(NC[C@H]3COc4ccccc4O3)c12 12077814 XDVOELRCCHGHBR-AWEZNQCLSA-N 412.515 3.732 0 50 HHAA Cc1ccn2c(CNCCCc3cccnc3)c(C(=O)N3CCCCCC3)nc2c1 12317669 JIVWIEOTESXSGR-UHFFFAOYSA-N 405.546 3.776 0 50 HHAA CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)CCn2ccc(C)n2)C1 14962573 HTBSTRIOZMOWCG-QQRRWSATSA-N 409.530 3.857 0 50 HHAA CC1CCN(C(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 67604288 ZDEZKDORZFJQDZ-UHFFFAOYSA-N 404.507 3.664 0 50 HHAA O=C(NCc1nc(-c2cccs2)no1)C1CCN(Cc2ccccc2Cl)CC1 67629921 SBBOVEDJVLLPGL-UHFFFAOYSA-N 416.934 3.980 0 50 HHAA COc1cccc(CCc2nnc(CCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C43CC3)o2)c1 101692573 KEEMSUOSGCLPOP-QWFCFKBJSA-N 407.514 3.515 0 50 HHAA CCN1c2cc(C(=O)NCc3ccccc3OC)ccc2C(=O)N2CCCCC[C@H]21 169766290 DJDKEWWEPIPRPB-QFIPXVFZSA-N 407.514 3.807 0 50 HHAA C[C@@H]1CN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC[C@H]1O 170601352 KIMNCKUWRUWSDY-QMTHXVAHSA-N 421.341 3.753 0 50 HHAA CSCC[C@@H](NC(=O)c1cn(C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1 223215680 IXAVIDILZTYIQI-LJQANCHMSA-N 406.511 3.639 0 50 HHAA Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)c2C(N)=O)cc1 245226179 JUHWREYUZFFWHQ-CWLKWCNXSA-N 424.522 3.982 0 50 HHAA C[C@@]1(c2ccccc2)NC(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)C1=O 252444298 VUBUXGPATXDXTN-JTSKRJEESA-N 406.511 3.858 0 50 HHAA Clc1ccc2c(c1)CN(c1nnc([C@H]3COCCO3)n1CCc1ccccc1)CC2 460450510 OEXZEQUPQLUEAO-OAQYLSRUSA-N 424.932 3.825 0 50 HHAA Cc1nnc(N2C[C@@H]3CN(Cc4ccncc4)C[C@]3(CCc3ccccc3)C2)s1 1772813200 VFMAHMUIXMPFCY-JTHBVZDNSA-N 405.571 3.813 0 50 HHAA Cc1ncc(C(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)cn1 1857703150 WAMQSVNHKPQROU-QHCPKHFHSA-N 422.573 3.887 0 50 HHAA COC[C@@H](C)n1c(-c2ccc3nc(O)oc3c2)cs/c1=N\c1ccc(C(N)=O)cc1 1875255690 BGVWHISTOJMESQ-GCDPVWBDSA-N 424.482 3.602 0 50 HHAA CCc1oc2cc(O[C@H](C)C(=O)OC)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 630395 AERIAYTYXLBWKK-CYBMUJFWSA-N 410.422 3.734 0 50 HHAA biogenic Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 676672 JFXPSRDFOJRTTC-UHFFFAOYSA-N 417.512 3.578 0 50 HHAA Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccccc1C(N)=O 1146106 BDIITGPCIQCXIY-UHFFFAOYSA-N 414.874 3.529 0 50 HHAA CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccccc1OC 3401406 BKFSIOSILGCSIG-UHFFFAOYSA-N 408.527 3.651 0 50 HHAA COc1ccc(OC)c(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)c1 4673458 FJFXXQMLQSLBIE-UHFFFAOYSA-N 402.922 3.886 0 50 HHAA CC(C)c1cc(C(=O)N2CCOCC2)c(NC(=O)[C@]2(C)CC2(Cl)Cl)s1 4749880 VBSUQJKARAYMOK-INIZCTEOSA-N 405.347 3.866 0 50 HHAA Nc1n[n+]2c(-c3ccccc3)cc(-c3ccccc3)nc2n1CC(=O)c1ccccc1 5279898 YWJFYDCTUBOQHJ-UHFFFAOYSA-N 406.469 3.816 0 50 HHAA COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cc3)CC2)cc1 6698004 FSRNCQPPEQMQRC-UHFFFAOYSA-N 421.522 3.971 0 50 HHAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)c2n[nH]c3ccc(C)cc23)CC1 11935782 BJHQAZUCZAUKNP-KRWDZBQOSA-N 413.518 3.616 0 50 HHAA Cc1c([C@H](C)NC(=O)CN2CCC(c3ccccc3)CC2)cnn1-c1ccccn1 11936825 WKLYBYOSLAMPHN-SFHVURJKSA-N 403.530 3.633 0 50 HHAA CC(=O)c1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)[nH]n1 12301436 VNAZKOHMCWKZRU-XMMPIXPASA-N 408.546 3.864 0 50 HHAA O=C(CCC1CCN(Cc2ccc(-n3cccn3)cc2)CC1)NCc1cccnc1 12387730 LZBPSHXETKXDAI-UHFFFAOYSA-N 403.530 3.576 0 50 HHAA Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)N2CCSCC2)c1 12434598 UKHBQLMYWUWNMV-UHFFFAOYSA-N 411.571 3.622 0 50 HHAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)cc1 12434764 IUWRXHBJYXHDJC-FQEVSTJZSA-N 424.566 3.980 0 50 HHAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)[C@@H]2CC=CCC2)C3)cc1 15003351 AKHAUYHMGYXMRY-IEBWSBKVSA-N 411.523 3.533 0 50 HHAA O=C(CCC1CCN(Cc2ccccc2OC(F)F)CC1)NCc1cccnc1 15061647 NQAYPFNEWALTPU-UHFFFAOYSA-N 403.473 3.992 0 50 HHAA CCOC(=O)c1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 16383040 UKEVQIKVGSPCML-AWEZNQCLSA-N 424.478 3.552 0 50 HHAA O=C(NC1CC1)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 17088513 HGKGBDROGUSSSG-JKSUJKDBSA-N 410.495 3.913 0 50 HHAA Cc1ccc(CNC(=O)c2c(NC(=O)C[C@H](C)CC(=O)O)sc3c2CCC3)cc1 17089987 BYIPSCSKWUAGRA-AWEZNQCLSA-N 414.527 3.915 0 50 HHAA COc1ccc(NC(=O)c2cnn(C)c2C(=O)Nc2ccc(OC)cc2C)c(C)c1 20617709 VFGQCTZITHQSCU-UHFFFAOYSA-N 408.458 3.559 0 50 HHAA C[C@@H]1Cc2cccc3c(=O)c(C(=O)N4CCN(C/C=C/c5ccccc5)CC4)cn1c23 33089152 UCLPDTIUGHSNKE-MBNRZODZSA-N 413.521 3.590 0 50 HHAA CCn1cc(-c2cc(C(=O)N3CCCN4CCC[C@@H]4C3)c3cccc(C)c3n2)cn1 63882041 OEYDLHGFJVSADV-LJQANCHMSA-N 403.530 3.737 0 50 HHAA CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@]1(CCCN)c1ccccc1 72190166 LLXISKGBWFTGEI-HXUWFJFHSA-N 420.485 3.880 0 50 HHAA investigational CN(C)[C@H]1CCN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C1 72476394 IWUQLZLELMAVKE-INIZCTEOSA-N 403.408 3.958 0 50 HHAA Cc1ccc(Nc2ccc(NCCNC(=O)c3cccc(C(F)(F)F)c3)nn2)nc1 82230218 BKZNGXZCJLQZAG-UHFFFAOYSA-N 416.407 3.784 0 50 HHAA CCCCCn1c(=O)c(C(=O)Nc2ccccc2C(=O)OC)c(O)c2ccccc21 100701470 QDCPWUUQPLGLQP-UHFFFAOYSA-N 408.454 3.936 0 50 HHAA biogenic Cc1ccccc1CN1CCN(C2CCN(Cc3ccccc3)CC2)C[C@H]1CCO 104552584 UNZKDBYGEMLSCD-AREMUKBSSA-N 407.602 3.528 0 50 HHAA COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 137523200 KERNKEUSBXMSQX-BHDDXSALSA-N 400.434 3.746 0 50 HHAA Cc1nnc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2Cl)n1C 225732548 YDSCUZQGONGZCI-KRWDZBQOSA-N 405.930 3.571 0 50 HHAA Cc1cc(C)nc(SCC(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@H]32)n1 239591443 BBKUYXFIUZXIPC-BBWFWOEESA-N 405.564 3.687 0 50 HHAA C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](c1ccccc1)c1nnc[nH]1 253419149 JZFSZIXWHHXPHF-UGSOOPFHSA-N 403.408 3.920 0 50 HHAA O=C(O)CCC(=O)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1ccc2nccnc2c1 408525647 NMFYAWOAPSUDPT-LJQANCHMSA-N 408.845 3.826 0 50 HHAA CCN(C[C@H]1CCCO1)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426548726 CWPMERVVFZOCIR-MRXNPFEDSA-N 403.548 3.552 0 50 HHAA O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)N[C@H]1COc2ccccc2C1 473947857 JRVVLYGJVKFFQQ-OAQYLSRUSA-N 419.456 3.881 0 50 HHAA N[C@@H]1CC[C@@H](CCNC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)C1 952894021 PDJYDZDHUDBAMU-OXJNMPFZSA-N 411.525 3.689 0 50 HHAA COc1ncccc1CN1CCC2(CC1)OCCc1cc(OC3CCOCC3)ccc12 1857698511 VNUHMHVRCWOZBN-UHFFFAOYSA-N 424.541 3.712 0 50 HHAA Cc1ccc(CC(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)cc1F 1857713906 XCRUNTKXYPGUHP-SVFBPWRDSA-N 402.897 3.661 0 50 HHAA NC(=O)c1ccc(-c2cc3c(s2)C2(CCN(Cc4ccco4)CC2)OCC3)nc1 1857734586 VZNJLSOGBLGBPV-UHFFFAOYSA-N 409.511 3.566 0 50 HHAA CCn1c(N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)nc2cc(C(=O)OC)cnc21 1875250498 GDGGVGWHRFEVDW-VQTJNVASSA-N 406.486 3.594 0 50 HHAA O=C(OCC1=Nc2ccccc2S(=O)(=O)N1)[C@H](c1cccs1)C1CCCCC1 2325852912 XZOKCGKZDFLLMX-IBGZPJMESA-N 418.540 3.977 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CC[C@H](C)C2 715863 BGRJRYTTXMAGDM-LRDDRELGSA-N 401.484 3.828 0 50 HHAA O=C(NCc1cccnc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 848512 GXERGZNQUZHXRR-UHFFFAOYSA-N 421.766 3.987 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)nc(C)n1 1088117 FNVFSMBZIPQTMP-UXHICEINSA-N 422.510 3.636 0 50 HHAA Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 2846747 ITSCRPNHWSEFHZ-UHFFFAOYSA-N 415.522 3.875 0 50 HHAA C[C@H](CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1 4725545 UBRLMYIFSYLLJQ-JOCHJYFZSA-N 405.586 3.847 0 50 HHAA COc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OCc1cccnc1 4942942 CIQWPSUGWIIBGU-INIZCTEOSA-N 407.308 3.700 0 50 HHAA Cc1ccc(NC(=O)Cn2c(=O)n(C3CCCCC3)c(=O)c3ccccc32)cc1C 6670297 UMWLKFRDXPWGIS-UHFFFAOYSA-N 405.498 3.924 0 50 HHAA COCCNC(=O)c1cccc(OC2CCN(Cc3cn(C)c4ccccc34)CC2)c1 11668038 ICSMBUXWSQQWAD-UHFFFAOYSA-N 421.541 3.598 0 50 HHAA COc1ccc(F)c(C[C@@]2(CCC(=O)N(C)Cc3ccc(C)cc3)CCC(=O)N2)c1 11786787 HQHQFWPKTCKLKC-DEOSSOPVSA-N 412.505 3.773 0 50 HHAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CCc4cn[nH]c4)C3)C2=O)cc1 11932668 HRMRVLGDUGYZJS-XMMPIXPASA-N 408.546 3.507 0 50 HHAA CC(=O)NCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccc(C(F)(F)F)c1 12093367 HPGCMBTVGJRQBE-NRFANRHFSA-N 415.415 3.797 0 50 HHAA O=C(Nc1ccc(N2CCC(NCCOc3cccnc3)CC2)cc1)C1CCCC1 12099467 XACDACIOZNACOB-UHFFFAOYSA-N 408.546 3.848 0 50 HHAA Cc1c(C(=O)NC[C@H]2CCCO2)sc2ncnc(NCc3cccc(F)c3)c12 12149714 KRYAQYUNZBDCQW-OAHLLOKOSA-N 400.479 3.660 0 50 HHAA O=C1CCCc2occ(C(=O)N3CCC(=O)N(Cc4ccc5ccccc5c4)CC3)c21 12218204 QROOSBJNXKYDEM-UHFFFAOYSA-N 416.477 3.827 0 50 HHAA Cc1cccn2c(CN3CCC[C@@H]3c3ccc(F)cc3)c(C(=O)N3CCOCC3)nc12 12447283 ZTGXLYMLFUSSFA-HXUWFJFHSA-N 422.504 3.591 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 14970140 JHMCTLPZPBIZFH-INIZCTEOSA-N 403.498 3.878 0 50 HHAA O=C(CN1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1cnc2ccccn12 14989886 SVISKNFSYUEWSB-QHCPKHFHSA-N 412.493 3.586 0 50 HHAA CN1CCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C[C@@H]1c1ccccc1 15064156 CSJQYIGZNNNSRZ-OAQYLSRUSA-N 413.424 3.661 0 50 HHAA COc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2cccc3ccccc23)CC1 19594976 LROXVKYKEGGBCV-UHFFFAOYSA-N 420.509 3.824 0 50 HHAA Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccccc4Cl)nc3c12 20588488 WHUHYSGQMPOIEE-UHFFFAOYSA-N 424.936 3.739 0 50 HHAA O=C(c1cccs1)N1CCC[C@H](COc2ccc(CN3CCOCC3)cc2)C1 20918240 RDSJVAWKXBGPEV-IBGZPJMESA-N 400.544 3.512 0 50 HHAA CCNC(=O)[C@@H]1C[C@H](NCc2ccc3c(c2)c2ccccc2n3CC)CN1C(C)C 23361477 WDKLDPHWSWPWGD-CYFREDJKSA-N 406.574 3.891 0 50 HHAA Clc1ccccc1Cn1ncc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 54333072 DEGWGLDDXFJSOQ-UHFFFAOYSA-N 418.932 3.850 0 50 HHAA COC(=O)c1ccc(-c2nc(CN(C)C[C@H]3COc4ccccc4O3)c(C)o2)cc1 55035896 CTVGJLZLOWKRNC-SFHVURJKSA-N 408.454 3.708 0 50 HHAA CC(C)CN(C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 67805409 JKOSYQKEXRPDDO-UHFFFAOYSA-N 411.594 3.513 0 50 HHAA COc1ccccc1-c1nc(-c2nnn3c2CO[C@@H](c2ccccc2Cl)C3)no1 169769206 LVZISEVNMQJXGN-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cccc(F)c3)C2)c(OC)c1 170612671 ORXUFRKTIOQYKO-LJQANCHMSA-N 414.433 3.776 0 50 HHAA CC(C)c1cc(N2CCC[C@@H](c3ccn[nH]3)C2)nc(N2CCC[C@@H](c3ccn[nH]3)C2)n1 221833715 ICYDSYXRDYWDSM-QZTJIDSGSA-N 420.565 3.814 0 50 HHAA O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)C1=NO[C@H](c2ccccc2)C1 261475619 ZODNLWJAMNZHFG-BEFAXECRSA-N 401.413 3.501 0 50 HHAA Cc1nc(O)c2c(n1)CN(C(=O)c1nc(-c3cccc(C(F)(F)F)c3)oc1C)C2 1470673735 GIUWIFIODNQKDP-UHFFFAOYSA-N 404.348 3.629 0 50 HHAA O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)s1 1875261184 SOPOKOTWZNOVMW-UHFFFAOYSA-N 420.443 3.639 0 50 HHAA COc1ccccc1CNC(=O)c1ccc(C(=O)NCc2ccccc2OC)cc1 631092 KUHMMMLWZRPYMY-UHFFFAOYSA-N 404.466 3.564 0 50 HHAA COc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1 692350 NIZBSDHUQSOUIY-UHFFFAOYSA-N 402.406 3.881 0 50 HHAA COC(=O)c1c(NC(=O)c2c(C)cc(C)cc2C)sc2c1[C@@H](C(=O)OC)CC2 951634 YHJRNMKYWLKDGT-ZDUSSCGKSA-N 401.484 3.915 0 50 HHAA CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 2735990 SMICDIOYSHZUMR-AWEZNQCLSA-N 413.499 3.979 0 50 HHAA CCOc1ccc2nc(N3C[C@@H](C(=O)OCc4ccccc4F)CC3=O)sc2c1 4809602 YNLYUQZSJNORGY-AWEZNQCLSA-N 414.458 3.930 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C(N)=O)C1 5574947 PBOVIXZMMDUONI-JHJVBQTASA-N 406.548 3.828 0 50 HHAA Cc1cccc(C)c1NC(=O)CSc1nc(O)cc(=O)n1-c1ccc(Cl)cc1 8575195 KXMNNLMKNFDNBN-UHFFFAOYSA-N 415.902 3.939 0 50 HHAA CC(C)CN1CC[C@H](CNC(=O)c2cc(COc3cccc4cnccc34)on2)C1 12072343 JOMLVDKACLEQHV-QGZVFWFLSA-N 408.502 3.510 0 50 HHAA Cc1ccccc1C(=O)N1CCC[C@@H]2CN(C(=O)CCOc3ccccc3)CC[C@@H]21 12219305 QWBCCBXQLPNYSG-OFNKIYASSA-N 406.526 3.917 0 50 HHAA O=C(NCc1ccccc1OC(F)(F)F)c1cn(CCCc2ccccc2)nn1 12431030 NUDSXTGIKNAWEG-UHFFFAOYSA-N 404.392 3.740 0 50 HHAA O=C(NCCc1nc2ccccc2[nH]1)c1cn(C(c2ccccc2)c2ccccc2)nn1 12434362 URPFAVLKDOUVQU-UHFFFAOYSA-N 422.492 3.765 0 50 HHAA COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cccc(O)c3)C2)c(OC)c1 12463871 OOKIZARCQIWRJY-GOSISDBHSA-N 412.530 3.718 0 50 HHAA COc1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)ccc1F 15067777 KEKNIEFKMHPULN-GOSISDBHSA-N 408.477 3.871 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(C)cccc3C)n2)ccc1C 16648375 QHCRPAYLKULWBR-QGZVFWFLSA-N 418.497 3.994 0 50 HHAA O=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 17082354 PPAKWVWPWHRUIW-UHFFFAOYSA-N 402.422 3.696 0 50 HHAA c1cnn(CCCN(CCN2CCCCC2)C[C@H]2CCCN(C3CCCC3)C2)c1 19222557 FPTGUDZVJOSFFF-HSZRJFAPSA-N 401.643 3.716 0 50 HHAA Cc1csc(CNC(=O)CCc2nnc(Cc3cccc(C(F)(F)F)c3)o2)n1 20999175 HCFZBMKFTRTZAN-UHFFFAOYSA-N 410.421 3.693 0 50 HHAA COc1cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)cc(Cl)c1OC 104479933 BTHCLNVNFNWBHX-HXUWFJFHSA-N 418.965 3.734 0 50 HHAA CCOc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CC)c1 170619473 IMZMQVCZRSPOHI-HXUWFJFHSA-N 415.515 3.545 0 50 HHAA O=C(O)CC1(CNC(=O)CCc2nc(-c3ccc4cc[nH]c4c3)no2)CCCCC1 218250574 UKVKFOWZAVWLEV-UHFFFAOYSA-N 410.474 3.692 0 50 HHAA O=C(c1cc(Cl)cc(Br)c1F)N1CCC(OC[C@@H]2CCOC2)CC1 225525735 PQXBHUPBMHXMHU-LLVKDONJSA-N 420.706 3.899 0 50 HHAA C[C@H](OC(=O)c1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)c1ccccc1 239433740 YJYHXTHZKFWVIC-CGTJXYLNSA-N 403.434 3.570 0 50 HHAA CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1cccc(OC[C@H]4CCCO4)c1)(C3)C2 241644493 PRERBSXJGOVRGR-NWLMGIFWSA-N 412.530 3.658 0 50 HHAA COCCN1C(=O)C[C@@H](CNCc2cc3ccccc3o2)[C@@H]1c1cnn(C(C)C)c1 328608372 YUOCMJFPNODUEE-FDDCHVKYSA-N 410.518 3.536 0 50 HHAA O=C(N[C@H]1COc2c(F)cc(F)cc2C1)N[C@]1(C(F)(F)F)CCc2ccccc21 1311273871 VALAZIHQFSJZAO-AUUYWEPGSA-N 412.358 3.972 0 50 HHAA O=C(NCc1ccc(-c2nc(=O)o[nH]2)s1)c1cc(Br)ccc1C1CC1 2325849936 GLJZZZVIPUZIOF-UHFFFAOYSA-N 420.288 3.661 0 50 HHAA CC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 835476 XKSOUEIXINNCEL-UHFFFAOYSA-N 408.479 3.967 0 50 HHAA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1F 867212 KHBVAVXTOKFRAP-QGZVFWFLSA-N 405.882 3.919 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3csc4c3CCCC4)cc2)no1 1055277 JLJVNVZRLGWZFG-UHFFFAOYSA-N 417.512 3.976 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccccc1Br 1121675 RPVMHUDOLYOYSK-QGZVFWFLSA-N 417.328 3.942 0 50 HHAA COc1ccc(CCNC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 1161172 LCHRQNVTAZZWBM-UHFFFAOYSA-N 400.906 3.560 0 50 HHAA COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1176426 UQMPEUJJIYEVES-UHFFFAOYSA-N 424.522 3.833 0 50 HHAA COc1cc(-c2ccc(/C=C/c3[nH]c(=O)[nH]c(=O)c3Cl)o2)c(OC)cc1Cl 4580264 NNDVTHDLXPOKOI-HWKANZROSA-N 409.225 3.818 0 50 HHAA biogenic,in-vitro COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3ccc(Cl)c(OC)c3)c2c1 4594002 XSVFNJNXNSCUEN-UHFFFAOYSA-N 408.907 3.668 0 50 HHAA O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)NCc1ccco1 6682077 LUSGWYBTZHYISO-UHFFFAOYSA-N 404.495 3.860 0 50 HHAA O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cn(CCCc2ccccc2)nn1 11813121 NHLLJAFMIVHTPO-QHCPKHFHSA-N 417.557 3.520 0 50 HHAA CC(C)C[C@]1(C2CCN(C(=O)C3CCC3)CC2)NC(=O)N(Cc2cccs2)C1=O 12038361 GRMBSPQZWQTQGD-JOCHJYFZSA-N 417.575 3.624 0 50 HHAA O=C(NC[C@H]1CCCN(Cc2cccc3nonc23)C1)C1(c2ccc(Cl)cc2)CC1 12298881 HHSMNIATYWDCAV-MRXNPFEDSA-N 424.932 3.936 0 50 HHAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C[C@@H]1CC=CCC1)CC2 14530308 AMHCWVWTOGMGKR-LJQANCHMSA-N 411.546 3.670 0 50 HHAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 14747519 ZAYFBGDGMHAGNQ-LJQANCHMSA-N 406.530 3.679 0 50 HHAA Cc1c(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cnn1C 15074334 YSJRSZFBYVEBFZ-NRFANRHFSA-N 405.502 3.909 0 50 HHAA C[C@@H]1CN(CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 39399475 AHEOTJSPZQIZCU-KNQAVFIVSA-N 406.526 3.781 0 50 HHAA Nc1nnc(SCC(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)s1 140889846 PCUWMRZKLZXULS-UHFFFAOYSA-N 419.344 3.676 0 50 HHAA O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCC[C@H]3[C@@H](O)C(F)(F)F)ccc21 229898615 HPJRJTLJKPZODT-GBESFXJTSA-N 419.399 3.669 0 50 HHAA O=C1CC[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)[C@@H]2C1 238789994 MKGBTBHADOYGDF-ZFGLAFRWSA-N 405.450 3.690 0 50 HHAA O=C(Nc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)CC1 239159677 MOZWIIKZGVFYHI-ORXAMUQLSA-N 424.928 3.890 0 50 HHAA COC[C@H](NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 252537338 KYRLKKDTSBXEHV-ACRUOGEOSA-N 408.464 3.618 0 50 HHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NC1CCN(C2CCSCC2)CC1 952868514 AKLOQKMUOHCOEP-UHFFFAOYSA-N 409.983 3.778 0 50 HHAA Cn1cc([C@@H](NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c2ccccc2)cn1 1323278635 OEFHAJVJOAWFIR-OALUTQOASA-N 418.419 3.561 0 50 HHAA O=C(OCc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccc(N=c2cc[nH]cc2)cc1 1448857101 YZOXCQTWJMDONH-QHCPKHFHSA-N 415.493 3.985 0 50 HHAA O=C(c1scc2c1OCCO2)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704359614 VNPHGENEOBAPLI-UHFFFAOYSA-N 410.495 3.705 0 50 HHAA O=C1CCCN1CCN1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857699610 VXUCMIXFALYAEK-HSZRJFAPSA-N 413.606 3.571 0 50 HHAA CCc1cc(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)on1 1857704612 ZITXVQMFFYCMTL-NRFANRHFSA-N 411.546 3.949 0 50 HHAA Cc1nc2c(N[C@H]3CCc4cc(Br)ccc4NC3=O)ncnc2s1 1875329018 YRPZLEWTWINYNY-LBPRGKRZSA-N 404.293 3.523 0 50 HHAA CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3ncc(C(C)C)cc3[nH]2)s1 2325851051 NRKJXDLCGVLKAS-GFCCVEGCSA-N 413.499 3.812 0 50 HHAA Cc1cc(=O)nc(-c2ccc(NS(=O)(=O)c3c(C)cc(C)c(F)c3C)cc2)[nH]1 2325876223 NOMFZTGVHHPLQL-UHFFFAOYSA-N 401.463 3.610 0 50 HHAA COc1ccc(C(=O)N2CCC[C@]23CCCN(Cc2ccccc2)C3=O)cc1OC 2356169182 WJAPZQUJFAADSR-DEOSSOPVSA-N 408.498 3.501 0 50 HHAA CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 677130 HEHYGFJEAGYIGD-UHFFFAOYSA-N 402.516 3.612 0 50 HHAA COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 1154139 QAHFRBOVOKUAMV-UHFFFAOYSA-N 415.401 3.536 0 50 HHAA Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)N1CCCCC1 2346472 ZTVAXSVGILMKBB-UHFFFAOYSA-N 421.526 3.736 0 50 HHAA Cc1ccc([C@@H](C)NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c(C)c1 2763987 OHYBHPORFODSCT-LLVKDONJSA-N 401.315 3.749 0 50 HHAA Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)c2cnccn2)c1C(=O)OC(C)C 2843659 AEWFJDGCTUCQFH-UHFFFAOYSA-N 424.482 3.916 0 50 HHAA COc1ccc([C@H](CC(=O)OCC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1 3623346 PZRMKELFRMKDNC-QFIPXVFZSA-N 417.461 3.983 0 50 HHAA Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NCCO)cc1 4498006 JNNPODFMOSJKCD-ZHZULCJRSA-N 424.884 3.788 0 50 HHAA CCCc1cc(N2CCN(c3ccccn3)CC2)n2nc3nc(C)cc(C)c3c2n1 6764449 JFFAWTFUKXKUQB-UHFFFAOYSA-N 401.518 3.568 0 50 HHAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 11933464 LETIGSQVNGVBSI-GOSISDBHSA-N 421.472 3.814 0 50 HHAA Cc1cccn2c(CN[C@@H](C)CCCC(C)(C)O)c(C(=O)N3CCCCC3)nc12 11935447 RFTPNPCVSYSUBX-SFHVURJKSA-N 400.567 3.688 0 50 HHAA COCc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(C)o3)C2)s1 12297464 HENAGFSUIAFUBO-MRXNPFEDSA-N 404.532 3.745 0 50 HHAA Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 12431150 COXYVKGMEWBGST-OAQYLSRUSA-N 400.526 3.999 0 50 HHAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CSc2ncccn2)cc1 12477268 PXKUANSKVZSZBU-SFHVURJKSA-N 423.542 3.593 0 50 HHAA CCOC(=O)C[C@H](CC(C)C)NC(=O)c1cc(COc2c(C)cccc2C)on1 12584987 ZETHWEFXHYDJMF-KRWDZBQOSA-N 402.491 3.968 0 50 HHAA COC(=O)c1sccc1NC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 13319998 CCPRLAUNBYLWPU-UHFFFAOYSA-N 403.548 3.653 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)C[C@H](NCc1cccnc1)CC3 15071878 DKROEBIGFLEIDZ-GOSISDBHSA-N 420.513 3.688 0 50 HHAA COc1cc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)cc2c1OCO2 19781752 PCHNOIXWGDIDPM-UHFFFAOYSA-N 408.420 3.761 0 50 HHAA CCCCn1c(CN(C)CCc2ccccc2)cnc1S(=O)(=O)CC1CCC1 20536102 NCRIAAYHYOMDNF-UHFFFAOYSA-N 403.592 3.932 0 50 HHAA CNC(=O)[C@@H]1C[C@H](NCc2ccccc2)CN1CC(c1ccccc1)c1ccccc1 32587133 KGUXQKWBHIHZSO-AHWVRZQESA-N 413.565 3.797 0 50 HHAA Cc1cccn2cc(CNC(=O)c3coc(COc4cccc5cccnc45)n3)nc12 71315246 NMFAXYNJJGGNAR-UHFFFAOYSA-N 413.437 3.688 0 50 HHAA COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4CC(C)=CC[C@H]4C3=O)c2)c1 100694704 QTGIDGSNHONZFW-MOPGFXCFSA-N 420.465 3.802 0 50 HHAA CN1c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C(=O)N2CCC[C@@H]21 169765959 YGKYZIYKCHZWJG-QGZVFWFLSA-N 405.376 3.849 0 50 HHAA COc1ccccc1-c1nc(NC(=O)c2cn(C(C)C)c(=O)c3ccccc23)n[nH]1 170625095 FURUVMWCVKXFQX-UHFFFAOYSA-N 403.442 3.628 0 50 HHAA COc1cc2c(cc1OC)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2 200663151 GEJDGVNQKABXKG-UYOCQKMUSA-N 418.578 3.564 0 50 HHAA in-vitro CCN(C[C@H]1CCCO1)C(=O)CN1Cc2ccccc2O[C@@H](c2ccccc2OC)C1 215827202 ULUAOAVCPODDNL-HYBUGGRVSA-N 424.541 3.658 0 50 HHAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@H]4[C@@H]3C2=O)c(C)c1 245329475 ZJJGWZQWROXYET-TUFLPTIASA-N 422.912 3.792 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccccc6Cl)[C@H]54)[C@H]3C2=O)cc1 248140643 PTFIIWPTYOUWQC-RNKNUBGXSA-N 422.868 3.523 0 50 HHAA O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc(-n2cncn2)cc1Cl 263640060 VJXWJUQSYJIIBA-UHFFFAOYSA-N 416.190 3.918 0 50 HHAA Cc1ccc(-n2ncc(C(=O)Nc3ccc(-n4nccn4)nc3)c2C2CC2)cc1Cl 914723709 WKZDVFBXJHKJBO-UHFFFAOYSA-N 419.876 3.940 0 50 HHAA O=C(Nc1ccccc1CN1CCOCC1)c1ccc(-c2noc(C3CC3)n2)cc1 952983134 RQYZOXMYKJBHGO-UHFFFAOYSA-N 404.470 3.699 0 50 HHAA O=C(NC[C@@H](O)c1ccc(F)cc1)c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2 1448666074 WFEDENRXYBAGMX-GOSISDBHSA-N 416.836 3.709 0 50 HHAA Cc1ccc(N2C[C@@H](c3nc(-c4cccc(Cn5ccnc5)c4)no3)CC2=O)c(F)c1 1875260226 DEZSEOBIXJEDMH-SFHVURJKSA-N 417.444 3.949 0 50 HHAA Cc1cc(Br)c2cc(C(=O)N3CSC[C@@H]3C(=O)N(C)C(C)C)[nH]c2c1 1875334831 GZBJNSMCPBHJCB-MRXNPFEDSA-N 424.364 3.621 0 50 HHAA COc1ccc(CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1Cl 2356137662 UNWKGKSAPJPYGI-SPEDKVCISA-N 406.954 3.609 0 50 HHAA COc1ccc(Cn2cc(C(=O)N3CCC(CCc4ccccc4)CC3)nn2)cc1 11661106 BINHHTFMPSGLDY-UHFFFAOYSA-N 404.514 3.820 0 50 HHAA O=C(NC[C@@H]1OCCc2ccccc21)c1cc(COc2ccc3ncccc3c2)on1 11662906 NXHGPYNFSPWHHS-QHCPKHFHSA-N 415.449 3.846 0 50 HHAA CC(C)(C)CN1CCOc2ccc(CN3CCC(O)(c4cccnc4)CC3)cc2C1 11913027 VSIOTROGKIMTDH-UHFFFAOYSA-N 409.574 3.806 0 50 HHAA CCN(CC)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O 12002106 KKRHHTAOPIUJBU-RUZDIDTESA-N 404.510 3.771 0 50 HHAA O=C(CC[C@@H]1CCCN(C(=O)CC2=CCCCC2)C1)N1CCN(c2ccccn2)CC1 12204533 YBNTUXOIOGSLCP-QFIPXVFZSA-N 424.589 3.640 0 50 HHAA COc1ccc(OCc2cc(C(=O)NC[C@H](C)Oc3cccnc3)no2)c(Cl)c1 12305312 QTUIGICFLKDWDM-ZDUSSCGKSA-N 417.849 3.508 0 50 HHAA Cc1ccc(OCCCSc2nc(C)cc(=O)[nH]2)c(I)c1 14084367 WPRSVALLTLZYNB-UHFFFAOYSA-N 416.284 3.553 0 50 HHAA CC(C)CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 14541182 AXPJOTRJHVACNU-UHFFFAOYSA-N 420.557 3.579 0 50 HHAA Cc1nonc1N1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)CC1 15065865 MHVLMQMQTVLSCW-UHFFFAOYSA-N 407.396 3.682 0 50 HHAA CCOc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1Br 15746232 WDEPCMYYKCFADB-MHWRWJLKSA-N 401.285 3.618 0 50 HHAA CCn1cc(CN2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 20209412 ACZGIABLTCIOOI-OAQYLSRUSA-N 421.511 3.708 0 50 HHAA S=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccccc2Cl)CC1 20495058 KLHCNTMMKSFSFB-UHFFFAOYSA-N 403.935 3.626 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1)c1cc2ccccc2o1 23153640 NMUUNQQUPXTGFB-SFHVURJKSA-N 408.454 3.610 0 50 HHAA CSc1ncccc1C(=O)N1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 55196788 TVRLWCRMXKGPCK-IBGZPJMESA-N 410.587 3.539 0 50 HHAA C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 96909120 RHCPKKNRWFXMAT-OOILFEONSA-N 406.563 3.657 0 50 HHAA CC1(C)CCc2ccccc2[C@H](NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 225656144 YYZCQPGAERRVGT-PZJWPPBQSA-N 404.510 3.725 0 50 HHAA COc1ccc([C@H]2OC[C@@H]3[C@H](c4cc(OC)c5c(c4)OCO5)OC[C@H]23)cc1OC 229766288 UTPBMRNHPNUBLT-YJPXFSGGSA-N 400.427 3.516 0 50 HHAA biogenic CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)c(C)cc1C 230514121 ADKDULPKKKVWIX-UHFFFAOYSA-N 418.559 3.612 0 50 HHAA Cc1ccc([C@H](O)Cn2ccn3nc(-c4cccc(Br)c4)cc3c2=O)cc1 263616034 GOXHXODBEDUCEU-HXUWFJFHSA-N 424.298 3.968 0 50 HHAA CC[C@H](C)[C@H](C(=O)N(C)C[C@@H]1CCCN2CCCC[C@@H]12)N1Cc2ccccc2C1=O 299754339 BGJGYRYEEYYBGW-UZVYXBEXSA-N 411.590 3.780 0 50 HHAA biogenic CN(C)C[C@](C)(O)c1ccc2c(c1)CN(C(=O)CCCCc1ccccc1)CCO2 299790776 CNOQIIBAHZDXPB-VWLOTQADSA-N 410.558 3.590 0 50 HHAA O=C(CCNC(=O)c1ccc(F)cc1)Nc1ccc(OC[C@@H]2CCCCO2)cc1 952983259 SKKSEXQQBXXQIQ-FQEVSTJZSA-N 400.450 3.532 0 50 HHAA Cc1ccc(OCC(=O)N2CCN[C@H](c3ccc(Cl)cc3)C2)c(Br)c1 1875330033 KLDXZUHADZOUFX-KRWDZBQOSA-N 423.738 3.963 0 50 HHAA Cc1cnccc1N1CCC(C(=O)N[C@H](CC(=O)O)c2ccc(Cl)cc2)CC1 1875347437 UNFPQUVPZPGGDL-GOSISDBHSA-N 401.894 3.592 0 50 HHAA Cc1ncc(CNC(=O)NCc2cnc(C)n2-c2ccccc2)n1-c1ccccc1 2325738151 RTDBBBCHQMWYKP-UHFFFAOYSA-N 400.486 3.674 0 50 HHAA CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)N1Cc2nc(O)nc(O)c2C1 2325824430 AUCIDCRXHJGWQU-INIZCTEOSA-N 423.517 3.545 0 50 HHAA COc1cccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3Cc2ccccc2)c1 2356156184 VLXWFJBEKWMJKN-DPLHUUCSSA-N 414.505 3.900 0 50 HHAA CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)NC1=S 1161754 QHJTZWTWZNWPJI-YBEGLDIGSA-N 416.886 3.695 0 50 HHAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(F)c(Br)c1 1214643 MEEFFYUZIUCGGQ-UHFFFAOYSA-N 412.255 3.511 0 50 HHAA CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cnccn1 2193316 VTPNRTTVDNALEN-UHFFFAOYSA-N 409.302 3.793 0 50 HHAA COc1ccc(N2C3=[N+](CCCCC3)C[C@@]2(O)c2ccc(OC(F)F)cc2)cc1 2569233 DONZALOUMKCURO-JOCHJYFZSA-N 403.449 3.947 0 50 HHAA CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCc1ccc2c(c1)OCO2 4113545 BIMUJKHZHKKVFX-NRFANRHFSA-N 424.453 3.575 0 50 HHAA CC1=NN(C(=O)CSCc2ccc(Br)cc2)[C@](O)(C(F)(F)F)C1 6394221 IFBNTGAVYVIAKR-CYBMUJFWSA-N 411.243 3.541 0 50 HHAA O=C(Nc1ccnn1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)C1CC1 11661257 KBXMGEYVXACKFF-UHFFFAOYSA-N 406.408 3.728 0 50 HHAA O=S(=O)(NC[C@@H]1CCCN(C/C=C/c2ccccc2)C1)c1cccc2cccnc12 11879233 NBHNZGBDSRQDCF-ISPXXFMDSA-N 421.566 3.939 0 50 HHAA Cc1ccc(C)c(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3ccco3)C2)c1 11880156 JHZRLTFIGDYPGM-UHFFFAOYSA-N 403.482 3.728 0 50 HHAA CCN(CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C(C)C)C1 12027799 XUNZOTBJTYVCCQ-QGZVFWFLSA-N 422.533 3.602 0 50 HHAA CSc1nccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2ccsc2)C3)n1 12078849 ZZOGYIDCPKHGSK-CQSZACIVSA-N 401.488 3.800 0 50 HHAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 12123446 HPJJZRLNQVABJH-IBGZPJMESA-N 411.575 3.774 0 50 HHAA Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)o1 12463595 BZCCTCQSKJZTRN-QGZVFWFLSA-N 421.522 3.843 0 50 HHAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccncc3)cc2)n1 12464749 MVZPIZRWAMRPNZ-OAQYLSRUSA-N 403.486 3.518 0 50 HHAA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1 12837008 PNPPCZKMYDOURI-QGZVFWFLSA-N 408.454 3.919 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CCC[C@@H](C)C2)c1 13303467 NLXLJWLFTNXLLP-PEELUZDISA-N 404.532 3.619 0 50 HHAA O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H]2[C@H](CCCN2C(=O)C2CCOCC2)C1 15069493 UFOBHELDWAJVBD-MJGOQNOKSA-N 424.463 3.585 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2cnc(N(C)C)s2)C1 15077753 HZYSJVHDQRMJPT-OAQYLSRUSA-N 423.529 3.875 0 50 HHAA Cc1cc(C)cc(OCc2nnc(SCC(=O)NC3CCCCCC3)n2C)c1 17082537 IVLOVJCJJBLNRW-UHFFFAOYSA-N 402.564 3.942 0 50 HHAA COC(=O)c1ccsc1NC(=O)CSc1nnc(-c2csc(C)c2C)n1C 17093237 WUJLPPNPNBVYEV-UHFFFAOYSA-N 422.557 3.739 0 50 HHAA Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1Cl 19782512 CVOOCRPSZYGVTL-LJQANCHMSA-N 418.324 3.756 0 50 HHAA COc1ccc(C[C@@H](C)NCc2cc(NC(C)=O)cc(C(=O)N3CCCC3)c2)cc1 20322373 BGVBNGQOIGHKGO-QGZVFWFLSA-N 409.530 3.610 0 50 HHAA Cn1c(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)nc2ccccc21 20780953 KZBSXOQJZBGMBL-UHFFFAOYSA-N 418.541 3.853 0 50 HHAA CCOC(=O)CCc1c(C)nc2cc(-c3ccc(Br)cc3)nn2c1O 100631535 AGSQNUDEWJZWMT-UHFFFAOYSA-N 404.264 3.669 0 50 HHAA CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 113022980 MFZVQAHFZVUOFQ-IDGBWPAGSA-N 412.571 3.918 0 50 HHAA COc1ccccc1-c1noc(-c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)n1 169758225 ROCMEEFHQDDISN-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA Cc1nn(-c2ccccc2)c2ncc(NC(=O)CCc3nc4ccccc4[nH]c3=O)cc12 170488443 YKWLJDGIDOKPQE-UHFFFAOYSA-N 424.464 3.537 0 50 HHAA O=C([C@@H]1COc2ccccc2O1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 170622646 OSWSQQPQCGUXCE-MSOLQXFVSA-N 412.244 3.872 0 50 HHAA O=C(O)c1cc(C(=O)O)cc(-c2cccc(-c3cc(C(=O)O)cc(C(=O)O)c3)c2)c1 607717242 TZOSCSXHFPKRBH-UHFFFAOYSA-N 406.346 3.813 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2Cc3ccccc3O[C@@H](C)C2)(c2ccccc2)CC1 1450549275 HKUVORKECOTDGO-IBGZPJMESA-N 404.510 3.543 0 50 HHAA CCOc1ccc(CN2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)cc1CO 2100482492 DINNUGROPGUGCH-RUZDIDTESA-N 408.542 3.735 0 50 HHAA O=C(NCCCCn1cc([C@H]2CCCC[C@@H]2O)nn1)C(F)(F)/C=C/c1ccccc1 2325870930 VGMJOTAEYKRJTE-CQEYOHBHSA-N 418.488 3.542 0 50 HHAA COc1ccc(NC(=S)N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 808642 UZVBHKYSRYKLHQ-ZDUSSCGKSA-N 422.721 3.701 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3n2)cc1 862879 SUYYVSKPRBGWGR-UHFFFAOYSA-N 417.347 3.972 0 50 HHAA Cc1ccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 1012563 TWSGYKLKCJEJAX-UHFFFAOYSA-N 400.544 3.635 0 50 HHAA CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2sc(C)c(C)c2c1=O 1058085 FICXCXDZZVEBBY-UHFFFAOYSA-N 417.512 3.554 0 50 HHAA COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2I)c1 2876062 ITEQNFRPJKFGFR-UHFFFAOYSA-N 415.614 3.984 0 50 HHAA COc1cc(C=O)ccc1OCCCOc1ccc(I)cc1 2985632 VYMKRRIGTACQMD-UHFFFAOYSA-N 412.223 3.960 0 50 HHAA C[C@H](C(=O)NCCSC1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 6690838 QPVZJKLSRPESSC-CQSZACIVSA-N 419.012 3.677 0 50 HHAA O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCCc1nc2ccccc2[nH]1 11784463 HEQYYANXANZUHK-QHCPKHFHSA-N 424.932 3.547 0 50 HHAA O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCC(Cc2ccccc2)CC1 12582082 AYWJGDBSFJHDMB-UHFFFAOYSA-N 419.481 3.879 0 50 HHAA CC[C@H](C)NC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 12703744 TXVDDEKJWUCHJF-SFHVURJKSA-N 411.550 3.990 0 50 HHAA O[C@H](COc1ccccc1CNC12CC3CC(CC(C3)C1)C2)CN1CCSCC1 12705403 CCUVHGMOYRDOLW-GAWOJFTKSA-N 416.631 3.534 0 50 HHAA C[C@@H]1CN(CCC(=O)N2CCC(Oc3ccccc3F)CC2)Cc2ccccc2O1 15004125 SXCLYLMIANEXIV-GOSISDBHSA-N 412.505 3.869 0 50 HHAA CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)O)c2ccc(Br)s2)CC1 16123839 HFEBOIDJFKSHSJ-ZDUSSCGKSA-N 419.341 3.579 0 50 HHAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(C(=O)N2CCOCC2)CC1 20322038 XVQLFUYIUMRBTP-UHFFFAOYSA-N 419.525 3.874 0 50 HHAA CCN(CC)C[C@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 22454203 UBRKDAVQCKZSPO-GOSISDBHSA-N 421.545 3.508 0 50 HHAA biogenic,investigational CCCn1c(C)c(CC(=O)N(C)[C@H](C)c2nc(C)no2)c2c1CC(C)(C)CC2=O 95529471 SUUDQNBWSWPNST-CQSZACIVSA-N 400.523 3.815 0 50 HHAA Cc1ccc(C)c(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)c1 101199203 ALXFIIKWIYKALF-ZJOUEHCJSA-N 412.555 3.804 0 50 HHAA Cc1ccc(-c2cc(N3CCCN(C(=O)COc4ccccc4)CC3)[nH]n2)cc1C 169753138 ZJHZCTFUDULUFQ-UHFFFAOYSA-N 404.514 3.811 0 50 HHAA CC(=O)Nc1cc(C(=O)N2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)ccc1C 170614477 IWNIXKUPRXABOT-QFIPXVFZSA-N 401.507 3.569 0 50 HHAA C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F 225488167 BGSUVOMGIJTCIV-OAHLLOKOSA-N 419.518 3.951 0 50 HHAA O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@@H]1COc2ccccc2O1 484015315 VTFSVSWLYALJNJ-XXBNENTESA-N 417.440 3.873 0 50 HHAA Cc1cc(N2CCC(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)CC2)nc(C)n1 488883944 QVHADVPIHKKTRD-XMMPIXPASA-N 416.525 3.999 0 50 HHAA Cc1cc(NC(=O)[C@@H](C(C)C)n2cnc3ccccc3c2=O)ccc1N1CCCC1=O 952991093 YBADBUBXNMHQOL-JOCHJYFZSA-N 418.497 3.668 0 50 HHAA Fc1ccc(/N=c2/scc(-c3cnccn3)n2CCOC[C@@H]2CCCO2)c(F)c1 1875255770 CPLKYPDHNIMVKT-BIGRUVCHSA-N 418.469 3.713 0 50 HHAA COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OCc1ccccc1 591392 ZCYOBMASPXQBSZ-UHFFFAOYSA-N 412.530 3.887 0 50 HHAA in-vitro CCOC(=O)c1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1 628450 CNEVSKILKIXCLK-UHFFFAOYSA-N 412.496 3.852 0 50 HHAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OC 701941 YADKXZUKHSPQHF-GOSISDBHSA-N 417.918 3.789 0 50 HHAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC)cc1 1113040 JNJWXVLDDYPDAO-UHFFFAOYSA-N 424.526 3.796 0 50 HHAA O=c1c2c3c(sc2ncn1-c1ccc(I)cc1)CCCC3 1148938 XPUILSINEUXNRO-UHFFFAOYSA-N 408.264 3.931 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Cl)cc(OC)c1OC 1169039 LRLRSYQTSICKAK-SFHVURJKSA-N 416.861 3.686 0 50 HHAA CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1 4412810 SHWJLGBFUAZPTK-UHFFFAOYSA-N 401.894 3.660 0 50 HHAA CCS(=O)(=O)c1ncc(CN(C)C(C2CC2)C2CC2)n1CCc1ccccc1 11819659 ORHHOYBOVKCORY-UHFFFAOYSA-N 401.576 3.540 0 50 HHAA Cc1csc(CNC(=O)CC[C@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)n1 11839216 ISDVHUVMBJIULT-HSZRJFAPSA-N 407.539 3.893 0 50 HHAA O=C(NCc1cc(F)ccc1C(F)(F)F)c1cn(Cc2c(F)cccc2F)nn1 11935048 ATEOXYIAWKAUNH-UHFFFAOYSA-N 414.309 3.693 0 50 HHAA CCCCn1c(CN(C)Cc2nccs2)cnc1S(=O)(=O)CCCC(C)C 12207471 QEZLFMDBSUEQKS-UHFFFAOYSA-N 412.625 3.982 0 50 HHAA CCCCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 12377509 VBXBDDNMZWGEPK-UHFFFAOYSA-N 420.966 3.960 0 50 HHAA CCOC(=O)C1CCN(C(=O)c2csc3nc(-c4ccccc4F)cn23)CC1 12434029 KWPGWIVQFBISIC-UHFFFAOYSA-N 401.463 3.617 0 50 HHAA CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNC2Cc3ccccc3C2)cc1 12718105 ZYPYGAFWCCEIFY-AREMUKBSSA-N 416.565 3.815 0 50 HHAA Cc1ccc(C(=O)N2CCC[C@@H]3CN(C(=O)CCOc4ccccc4)CC[C@@H]32)s1 19336024 FRTHJPKRQQNBJI-QUCCMNQESA-N 412.555 3.979 0 50 HHAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cccc3ccccc23)CC1 19831560 MNRKBXNMLBYMRN-UHFFFAOYSA-N 400.931 4.000 0 50 HHAA COc1cccc(C(=O)N2CCN(Cc3nc(-c4ccc(C)s4)oc3C)CC2)c1 19837695 PUUWZQHOWRULSI-UHFFFAOYSA-N 411.527 3.987 0 50 HHAA CCCCn1c(CN(CCOC)C(C)C)cnc1S(=O)(=O)CCCC(C)C 20451469 KVTCFDAJDXTENO-UHFFFAOYSA-N 401.617 3.750 0 50 HHAA CC[C@@H](C(=O)NCCn1nc(C)c(Cl)c1C)n1nc(C(F)(F)F)c2c1CCC2 20607571 UENHFVFLWBDCIY-ZDUSSCGKSA-N 417.863 3.625 0 50 HHAA CCOc1ccc(CN2CCN(C/C=C/c3ccc(OC)cc3)C[C@@H]2CCO)cc1 22913448 MBXADFLSFSJJOZ-OIUIXCLQSA-N 410.558 3.676 0 50 HHAA Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]1c1ccncc1 100723574 XJZAFMJCRHXMSW-ACRUOGEOSA-N 403.413 3.580 0 50 HHAA C[C@H]1Oc2c(cccc2C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)NC1=O 170621564 MFUFWCCDQYMTMY-OAHLLOKOSA-N 407.470 3.675 0 50 HHAA CN(C)Cc1c(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)oc2ccccc12 462928397 WDRWNLQTILJBIJ-VWLOTQADSA-N 406.526 3.952 0 50 HHAA COc1ccc([C@@H](C(=O)O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1 1506431719 WQFHAUFULGXBAB-FQEVSTJZSA-N 416.905 3.503 0 50 HHAA COc1ccc(O)c(-c2ccc3c(O)nc(=O)n(Cc4ccc(Cl)cc4)c3n2)c1 1857526360 CIOXVNIKRBEZPZ-UHFFFAOYSA-N 409.829 3.580 0 50 HHAA NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)NCc2ccc3c(c2)COC3)c1 1875263990 HUMMLAWVKDMFDN-UHFFFAOYSA-N 415.493 3.728 0 50 HHAA Cn1c(CCNC(=O)Cc2ccc(F)cc2C(F)(F)F)nnc1-c1ccccc1 1875315843 JVQXYNGCGNVZNC-UHFFFAOYSA-N 406.383 3.541 0 50 HHAA COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1cnn2cccnc12 2325818713 SYHDJPRIIVBUDD-OAHLLOKOSA-N 416.279 3.869 0 50 HHAA Cc1c(-c2nc(COC(C)C)nn2-c2cc(F)cc(F)c2)cnn1C1CCOCC1 2325840372 ZJYKRAWKUGLISQ-UHFFFAOYSA-N 417.460 3.994 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cccc4[nH]ccc34)CC1)OCC2 2356148039 DSVSZBFNCGCRCD-UHFFFAOYSA-N 406.482 3.889 0 50 HHAA CCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 983252 YQQDGKRWYUTGJA-UHFFFAOYSA-N 404.532 3.591 0 50 HHAA COc1ccc(CC(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)cc1 1148514 WVQKTZOBNUSERN-UHFFFAOYSA-N 402.406 3.552 0 50 HHAA COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(F)cc2)cc1 2890424 XHPGNFPIQYIAQC-UHFFFAOYSA-N 403.417 3.788 0 50 HHAA COCc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)o1 11952535 HOANJVGZKVWUGB-MRXNPFEDSA-N 402.466 3.514 0 50 HHAA CC[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1nnc(COC)s1 12000898 ARSXNYBRINFZDS-AWEZNQCLSA-N 401.517 3.651 0 50 HHAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)CC2CCCC2)CC1)c1ccccc1 12298534 AIOCHPBBVIZSLS-HSZRJFAPSA-N 424.545 3.953 0 50 HHAA Cc1nc(CNC(=O)c2cc(COc3ccc4sc(C)nc4c3)on2)cs1 12299484 WFRYNPXTNHJQKQ-UHFFFAOYSA-N 400.485 3.867 0 50 HHAA C[C@H](NCc1c(C(=O)N2CCCC2)nc2sccn12)c1cnn(-c2ccccc2)c1 12305297 CKNZEJMNSFSEJG-INIZCTEOSA-N 420.542 3.668 0 50 HHAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12380778 GIMBPBYGDQOXRZ-VIFPVBQESA-N 424.803 3.803 0 50 HHAA C/C(=C\c1ccco1)CN1CCc2c(c(C(=O)N(C)C)nn2CCC(F)(F)F)C1 14744070 LJMIXFCEBPIJNK-SDNWHVSQSA-N 410.440 3.592 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c(OC)c1 18146129 NPGUXZQIKULGPZ-HDICACEKSA-N 408.454 3.636 0 50 HHAA O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1C3)CC2 20774337 DUQLNRMJPFEKEY-OSZJIOELSA-N 416.525 3.652 0 50 HHAA CCCCn1c(CN(C)Cc2ccc(CC)cn2)cnc1S(=O)(=O)CC1CCC1 55327294 KCUHFHKSGMWGKR-UHFFFAOYSA-N 418.607 3.846 0 50 HHAA COc1cc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(OC)c1OC 57530793 IEFADIROIRCBOT-UHFFFAOYSA-N 419.909 3.716 0 50 HHAA Cc1ocnc1C(=O)N(CCN1CCCCC1)C[C@H]1CCCN(C2CCCC2)C1 95499740 RNQDULZYYJXOJV-FQEVSTJZSA-N 402.583 3.566 0 50 HHAA Cc1cc(CN(C)Cc2cccc(OC[C@H](O)CN(C)C3CCCCC3)c2)no1 95524092 MWBCPTRUXYRPJQ-JOCHJYFZSA-N 401.551 3.619 0 50 HHAA CCCOc1c(Cl)cc(C(=O)N2CCN(Cc3cccnc3)C[C@@H]2C)cc1OC 170597626 QUWLUEXHYPDZCT-INIZCTEOSA-N 417.937 3.879 0 50 HHAA CCOC[C@@H](C)CS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 390832958 DYWZNTRVIKPWOK-SJORKVTESA-N 404.532 3.592 0 50 HHAA CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CCS[C@@H]2COCC[C@H]21 430357712 WSPDNQKQWBZKAG-HZPDHXFCSA-N 419.547 3.660 0 50 HHAA O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@H]1CC[C@@H](C(=O)O)C1 435714459 KJLBZPALBPIZNN-JTDSTZFVSA-N 414.889 3.571 0 50 HHAA Cc1cc(C)c(-c2cc(NC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)n[nH]2)cc1C 731810740 DTBYFLDKOCUVEI-UHFFFAOYSA-N 417.444 3.939 0 50 HHAA Cc1cc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc(C)c1OCc1cccnc1 761578081 UNVDKEVYQAKTLC-UHFFFAOYSA-N 416.477 3.629 0 50 HHAA COC(=O)Nc1cccc(NC(=O)[C@H](CCSC)NC(=O)c2cccc(C)c2)c1 918631917 ZWJDTALJGVWKJG-SFHVURJKSA-N 415.515 3.664 0 50 HHAA COc1cccc(OC2CN(C(=O)c3ccccc3NC(=O)c3ccoc3C)C2)c1 952976317 IKBSLWWBYDGKET-UHFFFAOYSA-N 406.438 3.752 0 50 HHAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1875242238 OUSNLMKTNBSLJZ-DHIUTWEWSA-N 417.509 3.964 0 50 HHAA CCCN=c1[nH]c(-c2cccnc2)nc2c1CC[C@@]21CCCN(Cc2cc(C)no2)C1 1875247584 XNFXXBXUYGKTDI-XMMPIXPASA-N 418.545 3.559 0 50 HHAA O=C(c1ccc(Br)cc1-n1cnnn1)N1CC[C@@H]2CCCc3cccc1c32 2325829584 NJXYMDPWCXWWEJ-AWEZNQCLSA-N 424.302 3.895 0 50 HHAA CC(C)c1nc(S(=O)(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cn1C 2325841550 ZLFJYMWKRCPEFR-UHFFFAOYSA-N 413.547 3.883 0 50 HHAA Cc1sc(NC(=O)COc2ccc(Cl)cc2Br)c(C(N)=O)c1C 676781 ZDTZFJDKFHGHBM-UHFFFAOYSA-N 417.712 3.897 0 50 HHAA COc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccccc2)cc1 827714 DBOKBTFOYJIHQC-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA Nc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 894984 JQISOZFDCJWSGH-QHCPKHFHSA-N 406.869 3.930 0 50 HHAA Ic1ccc2ncnc(Nc3ccc4c(c3)OCCO4)c2c1 955108 UUKPXQIUSLXGIY-UHFFFAOYSA-N 405.195 3.749 0 50 HHAA O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccc1O 1134086 LVPJOOFDULXFIF-RUZDIDTESA-N 401.462 3.832 0 50 HHAA COc1ccc(NC(=O)Cc2nnc(NC(=O)Nc3ccccc3F)s2)cc1 5661615 QUEQXWQSFSHHMI-UHFFFAOYSA-N 401.423 3.511 0 50 HHAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3CCCn3cccn3)cc2)n1 11838298 OMJHYCVNKAQONC-JOCHJYFZSA-N 406.534 3.569 0 50 HHAA O=C(NC[C@@H]1CCCN(C(=O)CCc2cn[nH]c2)C1)c1ccc(-c2ccccc2)cc1 11873898 NXTSJVWKMRPRCV-FQEVSTJZSA-N 416.525 3.678 0 50 HHAA CC(=O)Nc1cccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)c1 12093300 MQSGBXKYLGZAAP-HXUWFJFHSA-N 411.521 3.811 0 50 HHAA COc1ccc(C(=O)N2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)o1 12715909 CSXXXKLUVKUZPA-UHFFFAOYSA-N 408.458 3.523 0 50 HHAA Cc1nn(C)c(C)c1-c1ccnc(N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)n1 48422243 SXABLAYFHDELDX-UHFFFAOYSA-N 405.481 3.893 0 50 HHAA Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCN(C)CC2)CCCCC3)cc1 55195903 SSNOXFKVWQEKCL-UHFFFAOYSA-N 411.571 3.965 0 50 HHAA CCc1cc(C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)c(C)nn1 170595212 VCUVPIZLXSKAEI-UHFFFAOYSA-N 404.243 3.891 0 50 HHAA COc1ccc2c(ccn2CCC(=O)N[C@H](CC(C)C)c2nnc3ccccn23)c1 223225098 CEKOJALLTRFERP-LJQANCHMSA-N 405.502 3.986 0 50 HHAA Cc1cc(C)nc(N2CCC[C@@H](C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)C2)n1 223242742 AJNRRDLQPSGJPM-YLJYHZDGSA-N 406.534 3.700 0 50 HHAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 238924041 QMWLMGMUJVWGBJ-UXLLHSPISA-N 416.370 3.794 0 50 HHAA CNC(=O)c1cc(O[C@H]2CCCN(C(=O)CCc3ccc4ccccc4c3)C2)ccn1 408516606 IRIIAZHGQQREDC-QFIPXVFZSA-N 417.509 3.597 0 50 HHAA Cc1ccccc1OCc1nnc(SCc2nccc(N)n2)n1-c1ccccc1 473684770 XPAINCUIMMTCIE-UHFFFAOYSA-N 404.499 3.819 0 50 HHAA C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4coc5ccccc45)CC3)cc2NC1=O 499976973 JWJCCQYGTLSZTL-AWEZNQCLSA-N 418.449 3.887 0 50 HHAA CC(C)c1ccc(C[C@@H](C)NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 766721453 USSFOPZXLRYJFK-MRXNPFEDSA-N 419.616 3.978 0 50 HHAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCOc2c1cccc2C(F)(F)F 1461292569 IABOTOKXFHXMPQ-LJQANCHMSA-N 418.415 3.967 0 50 HHAA C[C@H](NC(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1)c1ccsc1 1469949464 ITTHTEVPAVWCGL-ZDUSSCGKSA-N 401.923 3.870 0 50 HHAA Cc1ccc(Sc2ccc(CN3CCCN(C(=O)[C@@H]4CCCO4)CC3)o2)cc1 1772809219 PKEWCDYXTYLDEF-FQEVSTJZSA-N 400.544 3.953 0 50 HHAA O=C(c1ccccc1-n1cccn1)N1CCCN([C@@H]2CCc3ccccc3C2)CC1 1772815229 MDHMACIYZDILQA-JOCHJYFZSA-N 400.526 3.578 0 50 HHAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(C/C=C/c2ccccc2)CC1 1857692707 QFMXJWDCUJBSNI-BSBODGDASA-N 424.516 3.610 0 50 HHAA Cc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 669985 PVIORTFEFTVZCI-UHFFFAOYSA-N 412.486 3.646 0 50 HHAA O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 980816 IGXKUAVEUJFHQW-UHFFFAOYSA-N 414.861 3.658 0 50 HHAA COC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 1049357 HCVQNIPRXSMPKP-UHFFFAOYSA-N 410.451 3.526 0 50 HHAA Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 1110630 ALYGNNQAZNFOPA-ZDUSSCGKSA-N 411.321 3.551 0 50 HHAA COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)c1ccco1 1128329 FRMAZEMDEDCEKK-YBEGLDIGSA-N 407.353 3.991 0 50 HHAA O=C1N=C(O)N(c2ccccc2F)C(=O)[C@@]1(CCc1ccncc1)Cc1cccs1 1131070 UAVMQYLJECCFPH-QFIPXVFZSA-N 423.469 3.931 0 50 HHAA O=C(c1cccc(Cl)c1)N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 1457826 RUQWBYBKSBSBIP-IBGZPJMESA-N 411.933 3.541 0 50 HHAA COc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 2843777 DLHOXGXMNAHJRF-UHFFFAOYSA-N 424.522 3.759 0 50 HHAA CC(C)(C)SCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 2880035 KNYDUEJSRPFVCK-UHFFFAOYSA-N 424.563 3.669 0 50 HHAA CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc2c(c1)OCO2 4736407 XZWWGQCWVWJRNG-LLVKDONJSA-N 417.516 3.578 0 50 HHAA CCN(CC)C(=O)C(=O)c1cn(CC(=O)N(CC)c2ccccc2)c2ccccc12 4758831 FXXNPCWZYKGSGK-UHFFFAOYSA-N 405.498 3.746 0 50 HHAA Cc1cccc(OCC(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 8605544 NGZMKUCHFUNIBL-UHFFFAOYSA-N 413.499 3.629 0 50 HHAA C[C@@H](Cc1cccs1)NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 11998511 XBUMXWAMLQUQCG-INIZCTEOSA-N 412.555 3.889 0 50 HHAA CCOC(=O)c1cnn(-c2ccc(C)cc2C)c1CN1CCN(c2ccccc2)CC1 12158111 FVQSALKMROBXNK-UHFFFAOYSA-N 418.541 3.988 0 50 HHAA CC(C)c1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)cc1 12204877 XDJYQRKDPPXYFE-FGZHOGPDSA-N 400.563 3.619 0 50 HHAA Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)[C@@H]1CCOC1)C2 12244679 JROTYYNKBRDMTJ-CTNGQTDRSA-N 402.494 3.975 0 50 HHAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2ccc(N(C)C)cc2)CC1 12448782 ZMUFZNXKPUNZAS-UHFFFAOYSA-N 424.541 3.789 0 50 HHAA CCOC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)c1C 12458194 QFCKPRYZSNQQJG-HXUWFJFHSA-N 411.546 3.635 0 50 HHAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc(C)nc(C)n1 12708571 XAAMRCVGJKISNR-OAQYLSRUSA-N 410.562 3.519 0 50 HHAA COCCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(-c3ccccc3C)cc1)CC2 14748904 HSVQBCCBQFMTKK-UHFFFAOYSA-N 421.541 3.537 0 50 HHAA COc1cc(F)ccc1CN1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 20598579 WMLJKHBEZNJQJG-OAQYLSRUSA-N 413.537 3.630 0 50 HHAA Cc1ccc2c(C(=O)N3CC[C@H](n4ccnc4)C3)cc(-c3cnn(C)c3)nc2c1C 63856092 CTHQEAPYHGMICY-SFHVURJKSA-N 400.486 3.536 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4C)CC3)nn2)nc1 72434173 LIQBSTZOUWGQNG-UHFFFAOYSA-N 402.502 3.503 0 50 HHAA CCCN(CCN1CCN(c2ccccc2OC)CC1)[C@@H]1CCc2ncsc2C1 95641926 RSWFSOOHVWOZQI-LJQANCHMSA-N 414.619 3.543 0 50 HHAA COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC 96284476 SWEOAXMICIJCQC-UHFFFAOYSA-N 420.513 3.860 0 50 HHAA in-vitro O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 169774028 VYRNMHYESRLNGJ-QGZVFWFLSA-N 406.873 3.794 0 50 HHAA COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3Cl)C2)c1 170615612 ACSQOWMOZCFZBW-IBGZPJMESA-N 416.861 3.900 0 50 HHAA COc1ccc(OC)c2c1CN(C(=O)Nc1nc3c(s1)CCCCC3)C[C@H]2O 170620709 VNQKJLNESJCIHK-CQSZACIVSA-N 403.504 3.510 0 50 HHAA Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1nc(-c2ccco2)sc1C 170633501 WTMWGQOBZHXWPS-UHFFFAOYSA-N 411.483 3.745 0 50 HHAA O=C(OCc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C[C@@]23C=C[C@H]1O3 222339792 YQTZBTOOISNFSV-FCBCXNLDSA-N 411.457 3.870 0 50 HHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1sc3c(c1C(N)=O)CCCCC3)[C@@H]2C(=O)O 225755881 IWGWUMJVVMXHIQ-BQGCOEIASA-N 416.543 3.748 0 50 HHAA O=C(NC1CC1)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239339195 LUXNNMIEGIKAMQ-LBTBCDHLSA-N 422.506 3.769 0 50 HHAA Cc1ccc(C)c2c(C)c(C(=O)NCCN3N=C(c4ccccc4)CCC3=O)[nH]c12 952979632 QTDGBZIWHBNAJV-UHFFFAOYSA-N 402.498 3.850 0 50 HHAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CCC[C@@H](COC)C1 1704312772 ZCGMLNYEHKKXQV-CQSZACIVSA-N 407.898 3.552 0 50 HHAA COc1ccc(CN2CCC[C@]3(CCc4cnc(C)nc43)C2)cc1Cn1cccn1 1704312903 BFCCKOKXQZZUKP-DEOSSOPVSA-N 403.530 3.518 0 50 HHAA CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3sccc3c2)cc1 1875252820 OBAUDDAZSDWUPA-FQEVSTJZSA-N 421.522 3.781 0 50 HHAA O=C1C[C@@H](c2noc(-c3cc(OC(F)F)ccc3F)n2)CN1Cc1ccccc1 2325873507 JLOJEQVANYHMDN-CYBMUJFWSA-N 403.360 3.993 0 50 HHAA C[C@@H]1Oc2ccccc2C=C1/C=c1/sc2nc(-c3ccccc3Cl)nn2c1=O 628895 LZVOXOXWRFVDSF-HWQJWEFDSA-N 407.882 3.835 0 50 HHAA Cc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 1062771 HYQCWJBQWWNOJZ-UHFFFAOYSA-N 415.902 3.877 0 50 HHAA COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3c(F)cccc3Cl)C2)cc1OC 1077256 SWFKPBKMKZSKBH-OAHLLOKOSA-N 412.870 3.607 0 50 HHAA COc1ccc(CCNC(=O)COc2ccc(Cl)c3cccnc23)cc1OC 1124572 GAZMGKWUNNYZAE-UHFFFAOYSA-N 400.862 3.643 0 50 HHAA COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 1167133 JULDJLOQXHJMIX-UHFFFAOYSA-N 412.467 3.757 0 50 HHAA Nn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccccn1 2349500 SIPQDURKWAXNCI-UHFFFAOYSA-N 418.482 3.577 0 50 HHAA CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccccc3Br)N2C1=O 2463401 VICSZUHJKJVOTO-TZMCWYRMSA-N 409.305 3.661 0 50 HHAA O=C(CCC1CCCCC1)N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O 2870630 WQEHRBQOWPWNOH-LJQANCHMSA-N 411.424 3.678 0 50 HHAA CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(Br)ccc1F)CC(=O)N2 4625664 KEZUKJOILLCXPU-SNVBAGLBSA-N 412.284 3.648 0 50 HHAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C[C@@H]1CC=CCC1)CC2 14541439 GRSZIINNPCGRPN-LJQANCHMSA-N 407.558 3.629 0 50 HHAA CC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 14744469 BZJWBYGDMBOPME-FQEVSTJZSA-N 420.557 3.722 0 50 HHAA COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2ccc3nc(C)c(C)nc3c2)C1 14978493 NEPHDCWTMACAQC-GOSISDBHSA-N 403.482 3.990 0 50 HHAA Cc1cc(CN(C)Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)on1 20598472 QQZOMVAOVYZNIV-UHFFFAOYSA-N 401.536 3.731 0 50 HHAA CC[C@@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)C12CC3CC(CC(C3)C1)C2 20607741 AHPNRCUJTWJFJA-KCBRSYDOSA-N 400.563 3.663 0 50 HHAA O=c1[nH]c2cc3nc(-c4cc(Cl)ccc4OCCCn4ccnc4)[nH]c3cc2[nH]1 67773165 PIZLKFAPHWVHLR-UHFFFAOYSA-N 408.849 3.719 0 50 HHAA O=C(Nc1cc(N2CCNC2=O)ccc1F)c1csc(-c2ccc(F)cc2)n1 253432274 XWNFMBBXRIWPSN-UHFFFAOYSA-N 400.410 3.870 0 50 HHAA O[C@H](c1ccc2c(c1)CN(Cc1cnn(-c3ccccc3)c1)CCO2)c1ccccn1 299757616 HSEMJXPXFBNQCU-RUZDIDTESA-N 412.493 3.744 0 50 HHAA C[C@@H](SCC(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1nc2ccccc2[nH]1 444461324 RFPKHIZWIKUEAV-MRXNPFEDSA-N 424.570 3.953 0 50 HHAA CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)CC1 886024142 CBHYCDCXYDIMQW-FUDKSRODSA-N 407.558 3.888 0 50 HHAA COc1nc2c(cc1CN(C)Cc1cnn(-c3ccccc3C)c1)C(=O)N(C(C)C)C2 1506424534 ARJQJUOQFASTIJ-UHFFFAOYSA-N 419.529 3.581 0 50 HHAA O=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCCN(c2nc3ccccc3s2)CC1 1857701198 GSAQZSZWYSMSAL-UYAOXDASSA-N 406.555 3.828 0 50 HHAA Cc1cccc2oc(CNC(=O)C[C@H]3CCCN(c4nc5ncccc5o4)C3)nc12 1857708313 NAXFEPPTZDJKOG-OAHLLOKOSA-N 405.458 3.595 0 50 HHAA C=CC(=O)N[C@H]1CN(C(=O)CCCc2cc(C)sc2C)CC[C@@H]1C(F)(F)F 1875386834 ZYDGDYJKHIQETJ-HOTGVXAUSA-N 402.482 3.769 0 50 HHAA O=C(O)c1occc1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1ccccc1F 2325874500 OYPPSVPBHCWCEL-INIZCTEOSA-N 409.822 3.838 0 50 HHAA COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(=O)c1cccc(OC)c1 638969 UJBSUEYGVCCTCX-UHFFFAOYSA-N 417.417 3.905 0 50 HHAA COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 782986 KTKDAZYXINMLML-UHFFFAOYSA-N 400.478 3.960 0 50 HHAA COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)c1OC 862457 BLKUVEDPXWZUPU-QGZVFWFLSA-N 417.918 3.789 0 50 HHAA O=C(c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCOCC1 865862 ZBXNOESVSIPKMA-ONGXEEELSA-N 420.844 3.731 0 50 HHAA Cc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)ccc1Br 1111358 MVQKYOUAXRZBPD-UHFFFAOYSA-N 407.283 3.624 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1cc(Cl)cc(Cl)c1 1147528 QQBHUKGYFKIMQQ-UHFFFAOYSA-N 409.241 3.676 0 50 HHAA O=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 2883281 JWGHNFVMQIHJCA-SJLPKXTDSA-N 419.535 3.757 0 50 HHAA CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3C)cc2Cl)CC1 4412867 XDNGKPSWXKHNEP-UHFFFAOYSA-N 415.921 3.725 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)O1)C1CCCCC1 12039246 CMJGNFLMWZJDEB-SFHVURJKSA-N 420.500 3.815 0 50 HHAA COc1ccc(C(=O)CCC(=O)N2CCC[C@@](CO)(CCc3ccccc3)C2)cc1 12072982 UWUYSIPXRNRAMS-RUZDIDTESA-N 409.526 3.892 0 50 HHAA Cn1ccc(C(=O)NC[C@@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)n1 12244169 PWYCVGUKKRQBFI-AWEZNQCLSA-N 401.388 3.839 0 50 HHAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H](C)Cc2ccsc2)c1 12302025 USJDRRCLECVDDB-OAHLLOKOSA-N 416.543 3.507 0 50 HHAA CCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2Br)cc1OC 12412058 SOPTYSZFMMDVKH-HNNXBMFYSA-N 422.275 3.802 0 50 HHAA O=C(c1cn(CCc2ccccc2)nn1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 12441997 LBGHTQIBYWEIMB-FQEVSTJZSA-N 404.449 3.514 0 50 HHAA COc1cccc(NC(=O)CCC2CCN(S(=O)(=O)c3sccc3C)CC2)c1 12478688 RVVRULSKNVCLJX-UHFFFAOYSA-N 422.572 3.885 0 50 HHAA O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1C(=O)N1CCOCC1 13152948 WMNLAHXMPBPOMK-UHFFFAOYSA-N 422.909 3.823 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 19925431 KSXBHEGPAUZOTR-UHFFFAOYSA-N 402.497 3.597 0 50 HHAA C[C@@H](C(=O)Nc1ccc(F)cc1F)n1ccc(C(=O)Nc2ccc(F)cc2F)n1 20617299 KWLQQSUJHYHCTD-JTQLQIEISA-N 406.339 3.892 0 50 HHAA COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4cccnc4)nc3n2)cc1OC 55104382 CNXDBIGKQDYWJU-UHFFFAOYSA-N 401.348 3.889 0 50 HHAA COc1ccc(Cl)cc1C(=O)NCc1nnc2ccc(-c3ccc(C)cc3)nn12 169778428 JQVZEZJVDIUXSX-UHFFFAOYSA-N 407.861 3.692 0 50 HHAA Cc1ccc(S(=O)(=O)c2ccc(Cn3ccnc3[C@@H](O)c3ccco3)cc2)cc1 170605453 HIFSGKGURTVQCM-NRFANRHFSA-N 408.479 3.747 0 50 HHAA C[C@@](O)(CNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)c1ccc(F)cc1F 170626875 ZHWIPGJFWHQUIM-OAHLLOKOSA-N 413.339 3.717 0 50 HHAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)C1(C)C 170636658 KESNTZGRHVTQLD-HUUCEWRRSA-N 417.575 3.768 0 50 HHAA COCCOCCOc1ccc(CONC(=O)Cc2cccc3ccccc23)cc1 253428514 JZNWIFNBBNDCOD-UHFFFAOYSA-N 409.482 3.672 0 50 HHAA C[C@@H]1CCCN(CCOc2ccccc2CN2CCN(c3ccc(O)cc3)CC2)C1 822413231 ZFNUTBOWHOHOPK-OAQYLSRUSA-N 409.574 3.825 0 50 HHAA COc1ccccc1-c1ccnc(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCCN4C3)CC2)n1 952893898 ONQRFVVPHFNAHQ-UXHICEINSA-N 420.557 3.733 0 50 HHAA CC(C)CN1C[C@@H]2CN(CCCC(=O)c3ccc(C(C)(C)C)cc3)C[C@@]2(CO)C1 1772818997 DRVWOHZHEYOXLS-DHLKQENFSA-N 400.607 3.829 0 50 HHAA Cc1cc(C(F)(F)F)nc(CCn2ccnc2-c2cnn3c(C)cc(C)nc23)n1 1857684422 NEOHIOUJXXQIAJ-UHFFFAOYSA-N 401.396 3.570 0 50 HHAA COC(=O)[C@H]1CN(Cn2ncn(-c3cccc(Cl)c3)c2=S)Cc2ccccc21 1875302943 ORWJBRQTHYLMEX-SFHVURJKSA-N 414.918 3.787 0 50 HHAA C[C@@H]1CCO[C@H]1CCOC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 2325827209 ZHMYLTUTWBIXQE-LZQZEXGQSA-N 405.560 3.858 0 50 HHAA COc1ccnc(C2(CNC(=O)c3nnc4c(F)cccc4c3O)CCCCC2)c1 2325842144 POULCSSBFCUNJD-UHFFFAOYSA-N 410.449 3.510 0 50 HHAA Cc1ccc(NC[C@H](O)Cn2cnc3ccc(Cl)c(Br)c3c2=O)cc1 638907 JNARAJDRZBUVGD-ZDUSSCGKSA-N 422.710 3.594 0 50 HHAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 1134605 QDNFDRMYAXLVQJ-GOSISDBHSA-N 424.522 3.614 0 50 HHAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 2852635 QDKZOKLBTINDOU-UHFFFAOYSA-N 424.689 3.999 0 50 HHAA COc1c(C)cc(Br)cc1C(=O)Nc1ccccc1N1CCOCC1 2862058 XZONHULFSSHJJR-UHFFFAOYSA-N 405.292 3.855 0 50 HHAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1C 5063808 JRZURBAHJBFYRE-UHFFFAOYSA-N 422.934 3.696 0 50 HHAA COC(=O)c1ccccc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 9435050 NUXCNAZVTXKSMO-UNOMPAQXSA-N 402.431 3.504 0 50 HHAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cc(C)oc3C)CC2)cc1 11759503 IMDJSYGYJRHCLE-UHFFFAOYSA-N 422.485 3.831 0 50 HHAA O=C(NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)c1ccc2c(c1)OCO2 12038608 FDERAWSSCPXIQX-QGZVFWFLSA-N 408.841 3.864 0 50 HHAA Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)c2cc4ccccc4n2C)C3)n1 12048972 FXFKEIMXCXZVTH-LJQANCHMSA-N 412.493 3.986 0 50 HHAA Cc1cc(C)nc(CCNC(=O)c2ccc3oc(CCc4ccccc4)nc3c2)n1 12583086 KBQYCTNMJZZCPV-UHFFFAOYSA-N 400.482 3.992 0 50 HHAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2csc(C)n2)C1 14953822 ZGFIMXBGAFEURV-OAQYLSRUSA-N 402.516 3.706 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2cnc(SC)nc2)C1 14958015 BGBMPEIEYACYKP-OAQYLSRUSA-N 421.513 3.865 0 50 HHAA CC/C(NCCc1c[nH]c2ccccc12)=C1\C(=O)NC(=O)N(C2CCCCCC2)C1=O 19989980 BCNADYINQWWMAK-VZCXRCSSSA-N 422.529 3.765 0 50 HHAA Cc1ccc2c(CNc3cccc(S(=O)(=O)NC4CC4)c3C)cc(=O)oc2c1C 170637193 RGRGQHZYDWXCFD-UHFFFAOYSA-N 412.511 3.771 0 50 HHAA Cc1nc2ccc(NC(=O)[C@H](CC(C)C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2s1 241588123 OZVVJUYOKMZAMK-NUJGCVRESA-N 411.527 3.909 0 50 HHAA COc1ccc([C@H](C)NC(=O)c2ncn3c2CO[C@H](c2ccc(OC)cc2)C3)cc1 263619379 YMGYIFLTFUKOPV-BTYIYWSLSA-N 407.470 3.663 0 50 HHAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(N2CCN(C)CC2)cc1 823792780 VVBCTLXNSUNKAZ-IBGZPJMESA-N 420.557 3.705 0 50 HHAA CSCC[C@H](C(=O)Nc1cccc2cccnc12)n1c(O)nc2ccccc2c1=O 888089730 CJRCGVPIKWUXIM-GOSISDBHSA-N 420.494 3.583 0 50 HHAA CO[C@@H]1C[C@H](C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)CC[C@@H]1O 1704311348 GDKWRRRBRCCKEF-GQWLDOHISA-N 417.937 3.612 0 50 HHAA Cc1ncc(CN(CCN(C)C)C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)[nH]1 1704314351 PFEGUPNPFBIPSX-UHFFFAOYSA-N 422.373 3.960 0 50 HHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)c1 1704324884 GLTJQIKGUBPSKC-WIOPSUGQSA-N 419.525 3.574 0 50 HHAA O=C(NCCCCn1cc([C@H]2CCCC[C@H]2O)nn1)C(F)(F)/C=C/c1ccccc1 2325870931 VGMJOTAEYKRJTE-HOGDGFLFSA-N 418.488 3.542 0 50 HHAA Cc1ccccc1CN(c1ccc(C(=O)N2CCC(C)CC2)cc1)S(C)(=O)=O 639897 ZQCWEXAWFFKRON-UHFFFAOYSA-N 400.544 3.833 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2cccc(C(C)=O)c2)cc1Br 881908 GHSXJWRKFYMYDO-UHFFFAOYSA-N 407.289 3.787 0 50 HHAA CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CCc2ccc(Cl)cc2)C1=S 1185751 KBPCBLIHPDUKLT-GOSISDBHSA-N 415.946 3.729 0 50 HHAA CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccco4)cc3n2)cc1 1191129 WQBLVRROGDFDQD-UHFFFAOYSA-N 407.455 3.539 0 50 HHAA O=C(/C=C/c1ccco1)N1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 4134804 RRQQTYOEGGODHT-MDZDMXLPSA-N 414.461 3.981 0 50 HHAA CCOC(=O)N[C@@H](NC(=S)Nc1ccc(OCC)cc1)C(Cl)(Cl)Cl 8687350 KSUZFVDURMEBRW-LLVKDONJSA-N 414.742 3.814 0 50 HHAA aggregator CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CCc4cnn(C)c4)C3)C2)cc1 11839568 BUWZMFOVPMTYDW-RUZDIDTESA-N 408.590 3.991 0 50 HHAA COc1ccc2[nH]c(CN3CCC(CCC(=O)NC[C@H]4CCCO4)CC3)c(C)c2c1 11844286 FWAVOAPJCXICKG-HXUWFJFHSA-N 413.562 3.772 0 50 HHAA C[C@H]1CN(CCC(=O)N[C@@H](C)c2cnn(-c3ccccc3)c2)Cc2ccccc2O1 12028133 LEVBHEHWBXAUTO-OALUTQOASA-N 404.514 3.723 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)NC[C@H]1Cc2cccc(-c3ccccn3)c2O1 12079952 SBDWHWGLUHGKFW-GOSISDBHSA-N 402.450 3.530 0 50 HHAA Cc1c(C(=O)N(CCO)C(C)C)sc2ncnc(NCc3cccc(F)c3)c12 12279411 NYROHSRDQRDGGF-UHFFFAOYSA-N 402.495 3.594 0 50 HHAA CC(C)Cn1c(CN(C)Cc2ccco2)cnc1S(=O)(=O)Cc1ccccc1 12299755 ZEFIRGNIPAFFLA-UHFFFAOYSA-N 401.532 3.738 0 50 HHAA CC(C)CSc1nnc(CNC(=O)Cc2csc(-c3ccccc3)n2)n1C 14969986 QATOIAZIPOYNQZ-UHFFFAOYSA-N 401.561 3.546 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(C(C)C)cc3)CC2)cc1 19849857 BIWRJNZSKRUVAD-UHFFFAOYSA-N 402.560 3.504 0 50 HHAA COc1ccc(Cl)cc1NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3 19852993 GTAYWTAAKYLJOT-UHFFFAOYSA-N 402.907 3.781 0 50 HHAA CC(C)Cn1c(CN(C)C[C@]2(c3ccccc3)CC2(C)C)cnc1S(C)(=O)=O 20600815 HSVGOHYJKLEKEK-QFIPXVFZSA-N 403.592 3.742 0 50 HHAA c1ccc(N2CCN([C@@H]3CCCN(Cc4cnn(-c5ccccc5)c4)C3)CC2)cc1 20908873 XMMHMPYAMMSWSM-RUZDIDTESA-N 401.558 3.659 0 50 HHAA CCc1cccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c1 67603534 ACRLVGWUWZYTHP-UHFFFAOYSA-N 419.533 3.504 0 50 HHAA O=C(c1ccc(-c2cccc3ccnn23)nc1)N1CCCC[C@@H]1CCn1cccn1 67805976 GHTYYAAHOXOYBH-LJQANCHMSA-N 400.486 3.678 0 50 HHAA Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)n1 72117615 MYKSHDQCLCHWRK-UHFFFAOYSA-N 406.446 3.967 0 50 HHAA CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2n[nH]c3c2CCC3)C1 76954678 KDRFPIFNUWHHPG-QQRRWSATSA-N 407.514 3.787 0 50 HHAA COc1ccc(C(=O)NCCc2cccs2)cc1OC1CCN(C(C)C)CC1 95522415 RVYCDNDAKUFCLQ-UHFFFAOYSA-N 402.560 3.981 0 50 HHAA CS[C@H](C)CNC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C 241588523 PDVLCAFCFGCNEO-CYBMUJFWSA-N 411.524 3.808 0 50 HHAA CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)nc2c1 252438280 QHENIWDDCSMSFJ-UMVBOHGHSA-N 410.561 3.654 0 50 HHAA C[C@H]1Cn2nc(C(=O)O)cc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 722394426 GGHYBJQTJUXCAO-AWEZNQCLSA-N 403.438 3.735 0 50 HHAA C[C@H](NC(=O)COC(=O)c1nnc(O)c2ccccc12)c1ccc(Cl)cc1Cl 745883811 LGEXDZAYMKFCMM-JTQLQIEISA-N 420.252 3.676 0 50 HHAA COc1cccc(CN(C(=O)Cn2c(=O)oc3ccccc32)C2CCCC2)c1OC 824527032 ONAXQGBEGKOKII-UHFFFAOYSA-N 410.470 3.583 0 50 HHAA c1ccc(-c2nc(-c3nnc([C@@H]4CCn5cncc5C4)o3)nn2-c2ccccc2)cc1 1326068294 VNEDINBRFIHZPP-QGZVFWFLSA-N 409.453 3.911 0 50 HHAA Cc1nc(N2CCOCC2)sc1C(=O)N(C)[C@@H](C)c1cc(-c2ccccc2)n[nH]1 1857728539 GKRVFGICAPOXSM-HNNXBMFYSA-N 411.531 3.511 0 50 HHAA C[C@@H](NC(=O)NCc1ncc(Cc2ccccc2)n1C)c1cc(F)c(F)c(F)c1 1875336815 NCJFIBXTFHQAPX-CYBMUJFWSA-N 402.420 3.989 0 50 HHAA Cc1cc(C)n(-c2ccc(-c3nc(CCCc4nc(C)no4)n(C4CCC4)n3)nc2)n1 1875349403 WAETYWNZNPSOQJ-UHFFFAOYSA-N 418.505 3.734 0 50 HHAA O=C(O)c1ccc(C(=O)Nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)cc1 2325729117 KNCJEDFXGCEFFH-UHFFFAOYSA-N 422.368 3.757 0 50 HHAA C[C@H]1CCc2c(sc3ncnc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)c23)C1 955655 FSSDUVYEUJGRMY-HNNXBMFYSA-N 422.554 3.867 0 50 HHAA CCOc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)cc1 1154984 BJNYKHJDTMIUDJ-AWEZNQCLSA-N 410.923 3.840 0 50 HHAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1 2235515 PQVWLEMBTZHTAS-UHFFFAOYSA-N 413.543 3.829 0 50 HHAA CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 2837892 KLLQSLYNGHNYLY-UHFFFAOYSA-N 413.499 3.713 0 50 HHAA O=C(NCc1cccnc1)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 2847187 MGSWTKYXQXPRIA-UHFFFAOYSA-N 408.527 3.577 0 50 HHAA Cc1cc(C)c2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 3108313 MOLKJXINSXCVFQ-UHFFFAOYSA-N 415.540 3.950 0 50 HHAA CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2cc(OC)c(OC)c(OC)c21 4110854 XJZKOFDFXMTJPA-AWEZNQCLSA-N 401.459 3.984 0 50 HHAA Cc1cccc(Nc2ccc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)nn2)n1 11697246 HOJQXARXBXMKHG-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA CN(C(=O)CC1=CSC2=NCCCN12)[C@@H]1CCCN(CCCc2ccccc2)C1 11844150 OYZKSWRYDBSIRJ-HXUWFJFHSA-N 412.603 3.582 0 50 HHAA CN(Cc1ccccc1)C(=O)CCC1CCN(S(=O)(=O)c2ccsc2)CC1 12438618 CFZHTWQTOLXAFM-UHFFFAOYSA-N 406.573 3.588 0 50 HHAA CCOc1ccccc1-c1nc(CN2CCCN(C(=O)c3ccco3)CC2)c(C)o1 14957500 MMUFCDGLJXCFKN-UHFFFAOYSA-N 409.486 3.990 0 50 HHAA Cc1cc(-c2ccnc(-n3ncc(C(=O)N(C)[C@H]4CCOC4)c3C3CC3)n2)c(C)s1 14999907 IKXOSGFEYSEHCW-INIZCTEOSA-N 423.542 3.746 0 50 HHAA COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1C 55325890 JKOGNOBPWWQKOR-JOCHJYFZSA-N 407.558 3.739 0 50 HHAA O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12)N1CCCC1 77454342 GEMVVQNMCFOHKT-UHFFFAOYSA-N 405.502 3.549 0 50 HHAA FC(F)(F)c1nnc(N2CCN(Cc3ccc([C@@H]4CCCCO4)o3)CC2)s1 825720623 NJEQHVTUQKOSJK-ZDUSSCGKSA-N 402.442 3.714 0 50 HHAA COC(=O)[C@@H](c1cc(OC)cc(OC)c1)N1CCCN(c2ccccc2Cl)CC1 1460063353 TYOOXMNNFCEYMQ-OAQYLSRUSA-N 418.921 3.784 0 50 HHAA COc1ccc(-c2ccc3c(O)nc(=O)n(Cc4ccccc4Cl)c3n2)c(O)c1 1857526289 VEJGBWNQCOHTSM-UHFFFAOYSA-N 409.829 3.580 0 50 HHAA CCc1cc(C(=O)NCCCc2cc3c(OC)cc(OC)cc3[nH]2)cc2c[nH]nc12 2325840083 OIBGVRFGYZZPCB-UHFFFAOYSA-N 406.486 3.986 0 50 HHAA CC1=NN(C(=O)c2ccc(COc3ccc(Cl)cc3)o2)[C@@](O)(C(F)(F)F)C1 653283 ULGUSPCLDUIBGD-INIZCTEOSA-N 402.756 3.985 0 50 HHAA Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1 669346 WBOMALJVZCHIOA-UHFFFAOYSA-N 410.499 3.612 0 50 HHAA Nn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccco1 1049718 TUUWPOFNURFUEL-UHFFFAOYSA-N 421.482 3.562 0 50 HHAA Cc1csc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2CC(C)C)n1 9095995 WOUJQAPTEOSSGR-ZDUSSCGKSA-N 402.549 3.880 0 50 HHAA Cn1ccnc1CN1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 11818508 QBTIGCFMCWDSPV-IBGZPJMESA-N 401.470 3.831 0 50 HHAA O=C(NCc1c[nH]nc1-c1ccccc1)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 11936382 SBBJSUIXWBIMEK-OAQYLSRUSA-N 416.525 3.564 0 50 HHAA Cc1cccc(C[C@H](C)NC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n1 12320821 INQQKJJHRUECNQ-SFHVURJKSA-N 421.541 3.531 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 12432529 FNXXBFABTCXLQN-FQEVSTJZSA-N 413.472 3.627 0 50 HHAA CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 12471327 FPCLOUIBPSRYAL-FQEVSTJZSA-N 422.481 3.985 0 50 HHAA O=C(c1ccccc1C(F)(F)F)N1CCOc2ccc(CN3CCOCC3)cc2C1 14879432 FCRGSQACOHOECO-UHFFFAOYSA-N 420.431 3.572 0 50 HHAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1Cl 14960745 LVFYNFAPSYDIRV-HNNXBMFYSA-N 422.909 3.584 0 50 HHAA CC(C)N(Cc1nccn1C)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 15071409 FLVZCPVOSYJLKI-UHFFFAOYSA-N 408.502 3.917 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)Nc1nc2c(s1)C[C@H](C)CC2 17082528 XRXCAWYLSKTQPA-GFCCVEGCSA-N 402.545 3.871 0 50 HHAA CN(Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12)[C@@H]1CCOC1 19794520 RRQBZVRDXUQYOC-QGZVFWFLSA-N 404.942 3.615 0 50 HHAA COc1ccc(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)c1c(-c2ccccc2)noc1C 20272539 GNOUKHMOFWEDQC-HKUYNNGSSA-N 417.465 3.597 0 50 HHAA Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 110037803 LDLNDNGMWJKULU-INIZCTEOSA-N 411.552 3.800 0 50 HHAA CC[C@H](C(=O)NCc1nnc2c(-c3nc(C(C)C)no3)cccn12)c1ccccc1 169775917 AKUONTZRUUFQFE-INIZCTEOSA-N 404.474 3.713 0 50 HHAA CCN(CC)S(=O)(=O)c1cc(NCc2ccc(Br)o2)ccc1C 225510708 FPENEIDDVCSQMN-UHFFFAOYSA-N 401.326 3.993 0 50 HHAA Cc1ccccc1C1=NN(C(=O)c2ccco2)[C@H](c2ccccc2NS(C)(=O)=O)C1 252490915 LETZIPIUDZXOCY-FQEVSTJZSA-N 423.494 3.951 0 50 HHAA CCCOC(=O)c1ccc(NC(=O)c2ncn(-c3ccc(OC(F)F)cc3)n2)cc1 261490616 OZAGGKNIQODEFJ-UHFFFAOYSA-N 416.384 3.688 0 50 HHAA O=C(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cc2c(s1)CCOC2 478470086 DCZHECSWCSBWAN-ZDUSSCGKSA-N 405.825 3.956 0 50 HHAA COc1ccccc1OCC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704302128 DTHCLYXDSBMXEU-UHFFFAOYSA-N 406.482 3.646 0 50 HHAA O=C(C1CCOCC1)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857706124 ARLTVEWESTYPHQ-HSZRJFAPSA-N 414.590 3.902 0 50 HHAA C[C@@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C(C)(C)CO1 1875256372 BBLKKWXXBPTLJS-CYBMUJFWSA-N 400.479 3.774 0 50 HHAA Cc1ccc(C(=O)N2CCN(Cc3cc4c(c(-c5ccncc5)c3)OCO4)CC2)s1 1875267072 MKBXJMIONCBDMB-UHFFFAOYSA-N 421.522 3.805 0 50 HHAA CCc1cc(C(=O)NS(=O)(=O)c2ccn(C(C)C)n2)sc1-c1ccccc1 1875343204 FWMKRRXXGQFAMM-UHFFFAOYSA-N 403.529 3.874 0 50 HHAA Cn1ncc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)O)cc32)c1Cc1ccccc1 2325825430 PSXSOBZMXAJLOQ-IBGZPJMESA-N 403.482 3.559 0 50 HHAA O=C(CCC(=O)c1cccs1)N[C@H]1C[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 2325825942 IRTJUOCDNZVOOP-BBWFWOEESA-N 408.539 3.783 0 50 HHAA C=CC(=O)N1CCC(C(=O)NC2(c3cc(Cl)cc(Br)c3)CC2)CC1 2325889554 WITWGJLIJSYMSM-UHFFFAOYSA-N 411.727 3.632 0 50 HHAA CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)c(OC)c3)N2C1=S 754218 OFRSGGHMZGCSGZ-UWJYYQICSA-N 421.522 3.648 0 50 HHAA biogenic C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1 978968 FSDGLFUAMYFZNS-INIZCTEOSA-N 401.532 3.568 0 50 HHAA COc1ccc(-n2c(SC)nc3ccc(I)cc3c2=O)cc1 1133109 ZWEWDYIGPRNREP-UHFFFAOYSA-N 424.263 3.721 0 50 HHAA Cn1ncc(Cl)c1C(=O)NC(=S)Nc1ccc(OCc2ccccc2)cc1 2795262 KOCFEJKAXXLOLW-UHFFFAOYSA-N 400.891 3.779 0 50 HHAA CCc1ccc(NC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)cc1 6936614 FDUDNEBOCUIAQU-UHFFFAOYSA-N 418.545 3.970 0 50 HHAA COc1ccc(OC)c(C(=O)N(Cc2ccc(OCC3(C)COC3)cc2)C2CC2)c1 12218201 GNEMAYLYKSLMNX-UHFFFAOYSA-N 411.498 3.924 0 50 HHAA O=C(c1cc2c(nc1Cl)CCC2)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 12448240 MKLHODVVDIOLAX-MRXNPFEDSA-N 413.905 3.712 0 50 HHAA Cc1ccc(NC(=S)NNS(=O)(=O)c2ccc3ccccc3c2)cc1Cl 13544888 AYWJYEWOGJXFBY-UHFFFAOYSA-N 405.932 3.982 0 50 HHAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(Cc1ccc(O)cc1)CC2 14732760 JIDNORPAADHHMH-UHFFFAOYSA-N 419.525 3.957 0 50 HHAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cc(F)cc(F)c1)C2 14745958 KQIZGMXAZNGNLY-LJQANCHMSA-N 416.516 3.700 0 50 HHAA C[C@@]1(C2CCN(C3Cc4ccccc4C3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O 19228727 KLVWYVAOUAIVIV-VWLOTQADSA-N 421.516 3.516 0 50 HHAA Cc1cccnc1CCNCc1ccccc1OC[C@H](O)CN(C)C1CCCCC1 23130608 PIEONQZCNRAUHR-HSZRJFAPSA-N 411.590 3.727 0 50 HHAA Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCc3scnc3C)C2)CC1 55281711 FDIYKKQAUGVWHB-FQEVSTJZSA-N 412.603 3.506 0 50 HHAA Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 239135355 LCUADYVDJNPTTC-QBPKDAKJSA-N 420.296 3.522 0 50 HHAA CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)C1 252488173 IMMNJJIRLJKBPZ-SFHVURJKSA-N 418.497 3.700 0 50 HHAA Cc1ccc(C[C@@H](CO)NC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1 466669885 QHUVZJCVJRPBFC-GUYCJALGSA-N 402.363 3.779 0 50 HHAA Cc1cc(C)n(CCNC(=O)c2ccccc2SCc2ccc(F)cc2)c(=O)n1 670439861 GEHCKNBVEWIZIZ-UHFFFAOYSA-N 411.502 3.722 0 50 HHAA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)C1 773191258 WVGPKFPWSXGVKE-FQEVSTJZSA-N 416.525 3.985 0 50 HHAA O=C(CCCc1cn[nH]c1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704303029 HIUMEZMJCWYINE-XMMPIXPASA-N 401.514 3.696 0 50 HHAA CN(C(=O)Cn1c2ccccc2c2cc(Cl)ccc21)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704354409 BPAGJMPWTCOWPJ-HLLBOEOZSA-N 409.917 3.821 0 50 HHAA O=C(N[C@H]1CCc2ccc(Cl)cc21)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 1857530486 PFXBVZSASUIJHK-MJGOQNOKSA-N 404.919 3.585 0 50 HHAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)c2c(F)cccc2Cl)CC1 1857687601 VUUINOUMZNUANV-UHFFFAOYSA-N 409.866 3.943 0 50 HHAA O=C(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCC(c2nnc3cnccn23)CC1 1875264442 CKCUULXCNXEEII-UHFFFAOYSA-N 414.513 3.894 0 50 HHAA O=C1CCC[C@@H](C(F)(F)C(=O)N2CCC[C@@H]2C(=O)Nc2nc3ccccc3s2)C1 2325824773 PSZPIIVQVNVGCK-IUODEOHRSA-N 421.469 3.620 0 50 HHAA COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)cc1Cl 840630 LSFGLNZPDHAKDK-UHFFFAOYSA-N 422.934 3.556 0 50 HHAA Cc1ccc2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc2c1 1050100 ZFMGIZJBBCMOMF-UHFFFAOYSA-N 407.495 3.747 0 50 HHAA O=C1C[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccccc1Cl 1441709 OUBVVHMXOBEPFG-LJQANCHMSA-N 408.889 3.728 0 50 HHAA Cc1ccc2c(c1CCC(=O)O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 1484651 HWEOXFSBSQIWSY-INIZCTEOSA-N 407.919 3.501 0 50 HHAA COc1ccccc1/C=C/[C@H]1C(C(=O)OCC(C)C)=C(C)N=C2SCCC(=O)N21 2508880 ASGZOHIKTAMBGT-FVNWOWOISA-N 414.527 3.885 0 50 HHAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CN1CCCCCC1 11843832 IKOTXIRIHNDITM-HSZRJFAPSA-N 415.622 3.674 0 50 HHAA COc1cc(C)ccc1OCc1cc(C(=O)N2CCC(Oc3cccnc3)CC2)no1 11936921 ULHWBZSKKFZJCL-UHFFFAOYSA-N 423.469 3.649 0 50 HHAA Cc1c(C(=O)N(C)C[C@@H]2CCCN(C)C2)sc2ncnc(NCc3ccco3)c12 12097216 AUDCXPPTAAWESO-OAHLLOKOSA-N 413.547 3.619 0 50 HHAA CC[C@@H](C)n1cc(C(=O)NCc2cccs2)c(=O)c(C(=O)N2CCCCCC2)c1 12279178 OSQACTFFXPEEOI-MRXNPFEDSA-N 415.559 3.827 0 50 HHAA COc1ccc(OCc2nc(C(=O)N[C@@H](c3ccccn3)C(F)(F)F)co2)cc1 12307552 AVUZYMFJNPUOEF-KRWDZBQOSA-N 407.348 3.691 0 50 HHAA COc1ccc(F)c([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCCN24)c1 12576420 IYYCKDICZZZSKS-WYRQLCSISA-N 406.501 3.740 0 50 HHAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2 14967077 GDDWATKVBRSLTD-QFIPXVFZSA-N 411.594 3.758 0 50 HHAA CN(CCOc1ccccc1)C(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 15073804 AYFRXAOXLAIQSW-IBGZPJMESA-N 414.933 3.659 0 50 HHAA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCc2ccccc2-3)[C@@H](C(=O)O)C1 17093972 YTFMKSKHTNCQDV-SJORKVTESA-N 424.522 3.998 0 50 HHAA COc1ccc(OC)c(NC(=O)[C@@H](C)n2nc(-c3cc(C)ccc3C)ccc2=O)c1 20095586 YRPWYNBVLRMRHD-MRXNPFEDSA-N 407.470 3.744 0 50 HHAA C[C@H](C(=O)Nc1ccc(F)c(F)c1)n1ccc(C(=O)Nc2ccc(F)c(F)c2)n1 20616996 BPYDRBJKSMWELD-SNVBAGLBSA-N 406.339 3.892 0 50 HHAA CN(CCc1ccccn1)[C@H]1CCc2c(sc3ncn(C4CCCC4)c(=O)c23)C1 20920391 ZNLHYYKKIBYAJA-SFHVURJKSA-N 408.571 4.000 0 50 HHAA CC(C)[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2n1C(C)C 252510010 ZAAXSRQCFDDDPG-LJQANCHMSA-N 409.538 3.777 0 50 HHAA C[C@@H]1Cn2nc(C(=O)O)cc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 722394427 GGHYBJQTJUXCAO-CQSZACIVSA-N 403.438 3.735 0 50 HHAA COc1ccc(NC2(C(=O)NCc3nc(-c4cccnc4)no3)CCCCC2)cc1 824678535 FKIGXKQFLSKIFP-UHFFFAOYSA-N 407.474 3.571 0 50 HHAA CC(C)n1ccc2c(OCC(=O)N3CCN(C(=O)c4ccccc4)CC3)cccc21 952963696 XQTPQHNBHNGDAY-UHFFFAOYSA-N 405.498 3.586 0 50 HHAA O=S(=O)(c1cc(Cl)c(Cl)s1)N1CCC[C@H](OCc2ccccn2)C1 952982844 YTABNFBUJGRWGK-LBPRGKRZSA-N 407.344 3.820 0 50 HHAA O[C@@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@H]1Cc1ccc2ccccc2n1 1529103928 IHNCKEZUSDRZFY-KBMIEXCESA-N 405.517 3.878 0 50 HHAA O=C(c1ccc(CSc2ccccn2)cc1)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529191370 XOOPXJBXJFTOHO-FYYLOGMGSA-N 420.534 3.949 0 50 HHAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3cccc4[nH]ccc34)CCSCC2)o1 1776111200 GCOLTBWZAVBUSP-UHFFFAOYSA-N 412.511 3.606 0 50 HHAA COc1ccc(-c2cc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)no3)n[nH]2)c(OC)c1 1875260188 IMXORXXZZSJQFE-UHFFFAOYSA-N 419.441 3.513 0 50 HHAA OCCN1CCC[C@@H]2[C@H]1CCN2c1nc(-c2ccc(Br)cc2)cs1 1875381523 XOQBXCMNGUGZQP-IAGOWNOFSA-N 408.365 3.608 0 50 HHAA CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1 718806 QYMBGKUQTBGEMR-UHFFFAOYSA-N 412.416 3.561 0 50 HHAA Cn1ncc(Cl)c1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1 2778088 CERFJAYUNOHMJC-UHFFFAOYSA-N 410.227 3.640 0 50 HHAA O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(Cc2ccccc2)CC1 4700577 FJYBFCLAMAVIOU-UHFFFAOYSA-N 411.977 3.896 0 50 HHAA COC(=O)c1ccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1 5022407 QLBVCVLDEMIUFX-QHCPKHFHSA-N 405.494 3.915 0 50 HHAA Cc1ccccc1NC(=O)CSc1nc(-c2cc(Br)ccc2O)n[nH]1 6973908 CIGBKVDXQQOCAG-UHFFFAOYSA-N 419.304 3.979 0 50 HHAA O=C(NCCCn1ccnc1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 8310825 JWSPBCPJEANNIZ-UHFFFAOYSA-N 400.438 3.647 0 50 HHAA Cc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2)nc(O)cc1=O 8575371 SOUDHWIBUHPUSE-UHFFFAOYSA-N 401.875 3.631 0 50 HHAA CSc1ccccc1N1C(=O)CN(C(=O)c2cc(-c3ccsc3)n[nH]2)C[C@H]1C 11911562 PNGAICJWYGLYDI-CYBMUJFWSA-N 412.540 3.738 0 50 HHAA CC(C)c1c(C(=O)N(C)CCCN(C)C)cnn1-c1nccc(-c2ccccc2F)n1 12279100 KHFHUZSADIYVEA-UHFFFAOYSA-N 424.524 3.616 0 50 HHAA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(OC[C@]2(C)CCCNC2)nc1 12313897 KKFPLTSNDFGXDL-XMMPIXPASA-N 404.514 3.671 0 50 HHAA COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(CC(C)C)[nH]n4)N4CCC[C@@]34C2=O)cc1 19782150 YMYGLFQQYUWGGB-OEOAZWSVSA-N 408.546 3.555 0 50 HHAA O=C(c1ccc(-c2ccco2)cc1)N1CCOc2ccc(CN3CCOCC3)cc2C1 20777947 YQNCSPFVXNFWPO-UHFFFAOYSA-N 418.493 3.814 0 50 HHAA CC(=O)c1cc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cs1 20908870 DIPQKJXMDUDKHY-UHFFFAOYSA-N 409.515 3.632 0 50 HHAA CN1CC2(CCN(c3nc(-c4ccccc4)no3)CC2)C[C@@H](c2ccccc2)C1=O 96162177 KROKRKJQMZOXOB-FQEVSTJZSA-N 402.498 3.969 0 50 HHAA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@H]2C(=O)N1Cc1ccccc1 230050500 JIHLWDVKLHWOTL-BHIFYINESA-N 402.425 3.872 0 50 HHAA O=C(Nc1ccccc1Cl)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)CC1 239105315 IFFSTGSYOPAFBV-OAJFWZOVSA-N 424.928 3.890 0 50 HHAA CC(C)Cn1ncc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)cnc21 253395001 SCXUGOQBEDYXGU-FQEVSTJZSA-N 422.529 3.770 0 50 HHAA CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@@H](N1CCN(C2CCCC2)CC1)C3 299765802 BNHHESRVPQEFHM-GOSISDBHSA-N 414.619 3.532 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N(C)CCc3ccccn3)csc2C1 426618423 WSOUTGQQLQYGAZ-UHFFFAOYSA-N 410.543 3.621 0 50 HHAA COc1ccc([C@@H](O)C2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)cc1 812629662 YTRAINKPYVYZDE-HSZRJFAPSA-N 421.497 3.650 0 50 HHAA Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCc1ccccc1Br 818196348 VFWOSGIZIBGACS-YVLHZVERSA-N 417.238 3.625 0 50 HHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NC1CCN(C(=O)C2CCCC2)CC1 952871747 DDILSLUCRMXODZ-UHFFFAOYSA-N 405.926 3.600 0 50 HHAA COCc1cc(=O)c(O)c(-c2[nH]c(-c3cccc(OC)c3O)nc2-c2ccccc2)o1 1857526643 QLNLPXZNBIYGBL-UHFFFAOYSA-N 420.421 3.930 0 50 HHAA CCCCOc1ccccc1C(=O)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857706273 NWDOABXCQHLBJN-GMAHTHKFSA-N 422.525 3.508 0 50 HHAA NC(=O)N1CCc2ccc(NCc3ccc(OCCn4ccnc4)c(Cl)c3)cc21 1875263136 DYCYGSOHBWITIC-UHFFFAOYSA-N 411.893 3.669 0 50 HHAA O=C(Nc1ccc(F)c(F)c1)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2100541256 XZMRKOGCTGQNJA-NRFANRHFSA-N 400.429 3.549 0 50 HHAA O=C(O)[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)oc1ccccc12 2325875772 BQEXGKRCTPZBOO-IBGZPJMESA-N 409.463 3.950 0 50 HHAA Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 671193 FGEQRULJWUAMPY-UHFFFAOYSA-N 422.506 3.764 0 50 HHAA O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cccnc1 1065198 YBLIKUWKSZYUCZ-UHFFFAOYSA-N 420.900 3.950 0 50 HHAA CO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 1135664 JAKNCMIJNJQYJS-FQEVSTJZSA-N 414.458 3.953 0 50 HHAA Cc1c(Cl)ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1Cl 1143581 FIHZVQWMJYJIFT-UHFFFAOYSA-N 403.306 3.952 0 50 HHAA CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2c(Cl)cnn2CC)cc1 2108790 FATHZHDEYWSUIL-UHFFFAOYSA-N 408.911 3.640 0 50 HHAA Cc1cc(C(F)(F)F)nn1CCCNS(=O)(=O)c1cc(Cl)ccc1Cl 2780474 MITCAMZNIGEART-UHFFFAOYSA-N 416.252 3.886 0 50 HHAA CC(C)c1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 4542320 QMOGGJWDZJLTFH-UHFFFAOYSA-N 400.276 3.921 0 50 HHAA Cc1cc(C)c2nc3s/c(=C\c4cc(Br)ccc4O)c(=O)n3c2c1 6459153 LGFIHELODYYZRC-NVNXTCNLSA-N 401.285 3.542 0 50 HHAA COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 7505381 VKKIRSDUKKCENA-UHFFFAOYSA-N 407.488 3.589 0 50 HHAA COc1cccc(NC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c1 8583788 KBUHGPXQGHAVFF-UHFFFAOYSA-N 405.502 3.948 0 50 HHAA COc1cccc(Cn2c(CNC(=O)CCc3ccccc3)nc3cccnc32)c1 8600568 FCHKHUXMTJGBJF-UHFFFAOYSA-N 400.482 3.737 0 50 HHAA Cn1cc(CN2CCc3c([nH]c4ccccc34)C2)c(-c2ccc3c(c2)OCCO3)n1 11768033 VZUNYVSYNCXUOM-UHFFFAOYSA-N 400.482 3.898 0 50 HHAA CC(C)n1cc(C(=O)N[C@@H](C)c2ccco2)c(=O)c(C(=O)N2CCCCCCC2)c1 11872825 MGIRMBSDDQQJSC-KRWDZBQOSA-N 413.518 3.920 0 50 HHAA CCc1nccn1CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 12438348 XOIJRANIXLJEPX-FQEVSTJZSA-N 421.545 3.860 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2c(CC)noc2C)C1 12440401 YAHGWGRBAYETTE-QFIPXVFZSA-N 402.466 3.713 0 50 HHAA O=C(Nc1ccnn1C1CCN(Cc2cccc(F)c2)CC1)c1ccc2c(c1)OCO2 12578636 PMKCXLBWZHYJDW-UHFFFAOYSA-N 422.460 3.840 0 50 HHAA COC(=O)c1cccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(OC)cc3)C2)c1 12708588 PJWCSHKOADDQGJ-FQEVSTJZSA-N 424.541 3.509 0 50 HHAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)C[C@H]1COCCO1 12835391 WMUZQIPZKREFMR-IBGZPJMESA-N 413.468 3.973 0 50 HHAA Cc1nc([C@H](C)NC2CCN(c3ccc(NC(=O)c4ccccc4F)cc3)CC2)n[nH]1 15072058 LVTWRFVOJKXNNK-HNNXBMFYSA-N 422.508 3.824 0 50 HHAA CCOC(=O)CN(C)Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 55183358 PSNPVEVUIUGWFR-UHFFFAOYSA-N 411.477 3.990 0 50 HHAA C[C@H](c1ccncn1)N(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 55211716 AIJYFKMQGTXXBQ-MRXNPFEDSA-N 412.563 3.785 0 50 HHAA Cc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCCCC2)nn1 65364159 UURHJYVWYVNFJC-SFHVURJKSA-N 402.502 3.744 0 50 HHAA Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1ccc(Cl)cc1)CC(=O)N2 65364856 HUAFSYHCKZJXAU-MRXNPFEDSA-N 408.893 3.698 0 50 HHAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)CCC3=NNC(=O)CC3)cc12 77438890 SNQVBYCLOLNETR-UHFFFAOYSA-N 406.461 3.945 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)cc1 169758364 UOBSSBABLCQXIU-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA CCOc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(C)cc5)no4)c3CO2)cc1 169759064 MXQFIGXCAODUTG-LJQANCHMSA-N 403.442 3.974 0 50 HHAA CC(C)Oc1ccccc1N1CCN([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 242263284 XXQSKZKSZFYNOW-FPOVZHCZSA-N 423.557 3.624 0 50 HHAA C[C@@H]1CN([C@H](CNC(=O)[C@]2(C)CC2(Cl)Cl)c2c(F)cccc2Cl)CCO1 252474327 AYFYGMHDTPKBTO-ZLENFMNRSA-N 423.743 3.941 0 50 HHAA Cc1cc(=O)c(-c2noc([C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2)c2n1CCC2 253429890 IUIKWICXVLBSGU-ZFWWWQNUSA-N 414.506 3.656 0 50 HHAA C[C@@H](NC(=O)c1ccc(N2CCC(N3CCC(O)CC3)CC2)cc1)c1ccccc1 299766664 DXJPEUVPDXABEA-LJQANCHMSA-N 407.558 3.603 0 50 HHAA COC(=O)[C@@](C)(NCC(=O)Nc1ccc(Br)cc1C)c1ccc(F)cc1 463445181 UFCMJWSRRLPMFT-IBGZPJMESA-N 423.282 3.513 0 50 HHAA O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCn2c(nnc2C(F)(F)F)C1 739816122 HILWQAWNLAGBSQ-UHFFFAOYSA-N 424.386 3.563 0 50 HHAA Cc1cc(F)c2nc(O)cc(-c3nc(-c4cnc(OCC(F)F)cn4)no3)c2c1 904733657 QVDQSFVCUDYESG-UHFFFAOYSA-N 403.320 3.539 0 50 HHAA Cc1cc(C(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)cc(Cl)n1 1304265022 RTHLHKHQBFMMGL-SFHVURJKSA-N 409.711 3.930 0 50 HHAA COc1c(C)cccc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857670732 BEAOCLVHUYNESF-XMMPIXPASA-N 409.530 3.917 0 50 HHAA Cc1ccc(Cn2cccc(NC(=O)CCn3cnc4cc(F)c(F)cc43)c2=O)cc1 1875252678 HZCIYLKWQACBFF-UHFFFAOYSA-N 422.435 3.862 0 50 HHAA NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 1875339282 ZFBUIBCXNJKDAC-OTWHNJEPSA-N 419.447 3.737 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccn(C(C)(C)C)c3)CC1)OCC2 2356152837 CCQVUKGBLMSRAX-UHFFFAOYSA-N 412.530 3.965 0 50 HHAA COc1cnccc1-c1ccc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)cc1 2356165775 NSDRTIMXGRYHII-OAQYLSRUSA-N 403.482 3.974 0 50 HHAA CC(=O)c1ccccc1NC(=O)[C@H]1CC[C@H](C(=O)Nc2ccccc2C(C)=O)S1 754718 RRLDZBRIQSJEPK-WOJBJXKFSA-N 410.495 3.933 0 50 HHAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc(Cl)c1O 844456 FEYFGCWDEHGKDA-QGZVFWFLSA-N 408.882 3.948 0 50 HHAA Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC[C@H]4CCCO4)c3n2)cc1 848685 NEZDHAMLOPNBHW-CQSZACIVSA-N 404.392 3.632 0 50 HHAA CCOc1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 1151054 OHTIHZVIYVNEOP-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 2849876 RELMQEPLUAGVSN-LJQANCHMSA-N 422.481 3.603 0 50 HHAA CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2cc(OC)c(OC)c(OC)c21 4110855 XJZKOFDFXMTJPA-CQSZACIVSA-N 401.459 3.984 0 50 HHAA Cc1ccc2c(C)c(C(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)oc2c1 4183538 DVEIXFGISKQTHR-HNNXBMFYSA-N 403.525 3.941 0 50 HHAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)cc1 6139269 KMSZYEIYKNNJDM-UHFFFAOYSA-N 415.902 3.774 0 50 HHAA COc1ccc2c(C)nc(N3CCC[C@H](C(=O)NCc4cccc(C)c4)C3)nc2c1 11789021 RLWVHISALAREGQ-IBGZPJMESA-N 404.514 3.788 0 50 HHAA COc1ccc(CNCCCSC)cc1OC[C@H](O)CN1CCCCCCC1 12301860 JMRCPKRXVRXREH-HXUWFJFHSA-N 410.624 3.544 0 50 HHAA CCN(Cc1ccccc1)Cc1cnc(S(=O)(=O)C2CCCC2)n1CCCOC 12317710 MJRQTRGFNCMDJX-UHFFFAOYSA-N 419.591 3.658 0 50 HHAA CCc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2-c2ccc(C)cc2)cc1 12413375 JGIBJERTZGFZMI-UHFFFAOYSA-N 419.510 3.710 0 50 HHAA biogenic,in-vitro COc1cc2c(cc1OC)CN(C(=O)c1cc(C(C)C)nc3c1c(C)nn3C)CC2 12953772 COHDFVLRLRVAMO-UHFFFAOYSA-N 408.502 3.616 0 50 HHAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCc1ccc(F)c(F)c1)CC2 14536775 OQOCPGKUEJIHPJ-SFHVURJKSA-N 424.495 3.559 0 50 HHAA Cc1ccc(CNC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)O)sc3c2CCC3)cc1 17089986 BYIPSCSKWUAGRA-CQSZACIVSA-N 414.527 3.915 0 50 HHAA Cc1ccc(CN2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)cc1 36385583 MEZUOHRSBTYQEF-HSZRJFAPSA-N 418.541 3.646 0 50 HHAA C[C@H](OC(=O)CCc1nc(-c2ccsc2)no1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229583975 FMUDVGOAXTVZNX-ORIJERBGSA-N 405.520 3.603 0 50 HHAA O=C(CC[C@]1(Cc2ccccc2)CCC(=O)N1)NCc1c[nH]nc1-c1ccc(F)cc1 299761727 ZIUGTWMFXAZOST-XMMPIXPASA-N 420.488 3.504 0 50 HHAA Cc1cc(CNC(=O)c2cncc(C(=O)NCc3ccc(F)c(C)c3)c2)ccc1F 643133779 OJLMGGCCARSXJV-UHFFFAOYSA-N 409.436 3.837 0 50 HHAA C[C@@H]1C[C@@H](C)CN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2c(F)cccc2Cl)C1 822355305 ZVLLNAWLWXILDJ-UTUOFQBUSA-N 404.873 3.931 0 50 HHAA O=C1C[C@H](CNS(=O)(=O)c2cccc3cccc(Cl)c23)CN1C1CCCC1 828247854 AXDZJGUSQPVLOC-CQSZACIVSA-N 406.935 3.563 0 50 HHAA O=S(=O)(N1CCCCC1)N1CCCN(Cc2ccc(-c3ccccc3)s2)CC1 952974905 XGIODSSMJQYOMU-UHFFFAOYSA-N 419.616 3.654 0 50 HHAA CC(C)[C@@H](C(=O)N(C)Cc1cccc2cnccc12)n1cnc2ccccc2c1=O 1506422145 OXHUUJGNNRXPOD-QFIPXVFZSA-N 400.482 3.800 0 50 HHAA NC[C@H]1CCCC[C@]12NC(=O)N(Cc1cc(-c3cccc(F)c3F)ccc1F)C2=O 1875309767 MJKHTHQGAGYOIA-QRQCRPRQSA-N 417.431 3.710 0 50 HHAA CC(C)n1cc(C2=CCCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2)nn1 1875332037 AKGMJQKINMKYFE-UHFFFAOYSA-N 401.518 3.884 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2Cc3cccc(Br)c3C[C@H]2CC)CC1 1875365693 PLUUTIMZFFWESM-MRXNPFEDSA-N 405.336 3.537 0 50 HHAA OC(CN1CCCC[C@@H]1c1ccc(F)cn1)CN1CCCC[C@@H]1c1ccc(F)cn1 2325706472 UBDFEQVTTGYNET-DHIUTWEWSA-N 416.516 3.870 0 50 HHAA CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1 623821 CSDGEIZSUNESQD-SFHVURJKSA-N 412.486 3.761 0 50 HHAA CC[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Br)cc1 8438174 NEXZBWUZIUKTAH-HNNXBMFYSA-N 418.320 3.934 0 50 HHAA CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2ccc(O)c(OC)c2)CC1 11812989 IGESZVKHVSWGON-UHFFFAOYSA-N 401.478 3.928 0 50 HHAA CC(C)CN1CC[C@@H](CNC(=O)c2cc(COc3cccc4cnccc34)on2)C1 12072342 JOMLVDKACLEQHV-KRWDZBQOSA-N 408.502 3.510 0 50 HHAA COc1cc(-c2cccnc2)cc2c1OCCN(S(=O)(=O)c1ccc(C)cc1)C2 12149509 INMKSBIURSAVAP-UHFFFAOYSA-N 410.495 3.649 0 50 HHAA CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cn1 12303739 PRHOKZORGFZPSR-UHFFFAOYSA-N 405.502 3.941 0 50 HHAA CSCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 12386566 IFEBCELGXBFSHE-UHFFFAOYSA-N 410.967 3.745 0 50 HHAA Cc1cc(CN(C)Cc2cccc(OC[C@@H](O)CN(C)C3CCCCC3)c2)on1 12702129 RCSXVQUYMROYNN-NRFANRHFSA-N 401.551 3.619 0 50 HHAA CCOc1ccc(CNc2cnc3c(c2)c(NC(C)=O)c(C(=O)OC)n3CC)cc1 14533170 SSJFXIJHANXRTB-UHFFFAOYSA-N 410.474 3.812 0 50 HHAA CCN(CC)C(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C1CC1 15002051 QKAYRCPAPUVCHQ-UHFFFAOYSA-N 417.513 3.796 0 50 HHAA Cc1nnc(SCC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)o1 15070005 KHHRQZZYSCJGMQ-MRXNPFEDSA-N 415.494 3.625 0 50 HHAA O=C(CC[C@H]1CCCN(Cc2ccc3cc(Cl)ccc3n2)C1)N1CCOCC1 15071843 MCSDFMWVNHNTDL-QGZVFWFLSA-N 401.938 3.739 0 50 HHAA COC(=O)c1c(NC(=O)CSCC(=O)O)sc2c1CC[C@@H](c1ccccc1)C2 17091882 DQELZFBOIXYFRQ-CYBMUJFWSA-N 419.524 3.564 0 50 HHAA Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3c(C)nc4sccn34)C2)CC1 22913815 INBJZXFSTMIDRY-HXUWFJFHSA-N 409.603 3.799 0 50 HHAA COc1ccc(N2C(=O)C[C@@H](Sc3nc(C)c4cc(C)c(C)cc4n3)C2=O)cc1 96736630 GAVDMQIMJFXWRJ-LJQANCHMSA-N 407.495 3.988 0 50 HHAA CC(=O)c1ccccc1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100974744 MYMQTRFECVPLFM-SNHGZMDHSA-N 403.434 3.644 0 50 HHAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 101227466 YKFAPIXMKVIBJU-HDICACEKSA-N 419.886 3.787 0 50 HHAA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]3N3CCCN23)cc1 138543434 NTVOOEAFLGVWPR-IPMKNSEASA-N 416.308 3.837 0 50 HHAA CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)ccc1Cl 170623962 FZVYNHWDJLHQMR-UHFFFAOYSA-N 424.950 3.648 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)n[nH]2)cc1C 435939465 VLQTUFMFUBQYEG-SFHVURJKSA-N 400.486 3.756 0 50 HHAA CC[C@@H]1CCCN(C(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1 447021492 SKHMBDXZBLTQJK-CYBMUJFWSA-N 406.470 3.831 0 50 HHAA CC[C@@H](C)CONC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 816980058 DLYCXUZIUOCLOE-MRXNPFEDSA-N 416.485 3.644 0 50 HHAA CC(C)CNC(=O)C1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 916373952 YFPMMDNKYDKPHM-UHFFFAOYSA-N 403.420 3.538 0 50 HHAA O=C(c1cnc(-c2ccccn2)nc1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1506404072 BCHBEUVALIOJTL-NIRIFSCTSA-N 414.509 3.831 0 50 HHAA O=C(CN1CCCCCC1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704298757 MZKYEHAQDVXVSK-RUZDIDTESA-N 404.558 3.826 0 50 HHAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@@H]2CCCc3sc(C)nc32)CC1 1875383228 LUUXQXUKAWGNSQ-LJQANCHMSA-N 423.582 3.734 0 50 HHAA Cc1cc([C@H](C)NC(=O)C(C)(C)Oc2cccc(-c3nc(=O)o[nH]3)c2)c(C)s1 2325849994 IMRPMMGRLUUFNU-LBPRGKRZSA-N 401.488 3.743 0 50 HHAA Cc1cccnc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1cccc(F)c1 2356153375 DIPXQJTWYISLGA-WAGURGNTSA-N 421.516 3.613 0 50 HHAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 1076798 MQLIECLVYGYLON-INIZCTEOSA-N 404.532 3.904 0 50 HHAA O=C(Nc1ccccc1C(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1 1085225 SSEWCECZQBJYDW-UHFFFAOYSA-N 400.478 3.930 0 50 HHAA NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 1510343 ZOGWCJUOSLKYQF-UHFFFAOYSA-N 409.492 3.863 0 50 HHAA O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2ccccc2)CC1 2503927 IUZUFPNFTUEWRI-UHFFFAOYSA-N 413.271 3.518 0 50 HHAA COC(=O)c1cc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc(C(=O)OC)c1 4542252 AJGZJUVSNYKBOM-UHFFFAOYSA-N 418.449 3.939 0 50 HHAA O=S(=O)(c1ccc2ccccc2c1)N(C[C@@H](O)CN1CCCCC1)c1ccccc1 4576695 GQWFTSVUOGLZKM-QHCPKHFHSA-N 424.566 3.882 0 50 HHAA COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3c[nH]c4ccccc34)C2)c1OC 12192453 ZLROBFLQINHSMG-KRWDZBQOSA-N 407.514 3.827 0 50 HHAA O=C(c1ccco1)N(Cc1ccc(OCCN2CCCCC2)cc1)C[C@@H]1CCCO1 12210115 GLYZFWSCPRCOSF-QFIPXVFZSA-N 412.530 3.966 0 50 HHAA O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O 12218293 JPVFNHIWYNEZCW-CEXWTWQISA-N 423.557 3.532 0 50 HHAA CCN(CC)C(=O)[C@@H]1CCCN([C@@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 39509982 AAEKLLNHPOWZGU-WOJBJXKFSA-N 419.997 3.802 0 50 HHAA COCN1C(=O)CCc2cc(NC(=O)c3cnc(OCC4CC4)c(Cl)c3)ccc21 170607763 LVCIRBCQOXYCIP-UHFFFAOYSA-N 415.877 3.659 0 50 HHAA COc1cc(OC)c([C@@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1OC 217854710 CGSPGZNATUTXNE-AWEZNQCLSA-N 412.438 3.897 0 50 HHAA biogenic CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cnn(-c2ccc(F)cc2F)c1 225400201 LPGHIIFOINYFBD-CYBMUJFWSA-N 408.449 3.526 0 50 HHAA O=C(N[C@@H](CO)Cc1ccccn1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 225614877 DATRFNYWYBFTTN-CYBMUJFWSA-N 408.310 3.845 0 50 HHAA C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(C)C[C@H]1c1ccccc1 245236996 ANQGDDDVWITBLK-BEFAXECRSA-N 403.320 3.732 0 50 HHAA C[C@@H]1[C@@H](n2c(SCCN3C(=O)CCC3=O)nc3ccccc3c2=O)CCC[C@H]1C 248152207 KJSPGFFIPXDCCU-VKJFTORMSA-N 413.543 3.635 0 50 HHAA COC[C@](C)(NC[C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)c1ccccc1 252493898 NGBKYQCQZOFVHC-RDPSFJRHSA-N 413.562 3.916 0 50 HHAA CCCc1cc(=O)n2nc(NC[C@@H](c3ccc(Cl)cc3)n3cccn3)sc2n1 301595652 VYAHUVGJLLKFAJ-INIZCTEOSA-N 414.922 3.655 0 50 HHAA C[C@@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 390832651 YETAEDSYZIPMMS-UTKZUKDTSA-N 402.450 3.728 0 50 HHAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1csc(-c2ccc(Cl)cc2)c1 429867545 NMFGGDMWEFWMRI-INIZCTEOSA-N 412.964 3.612 0 50 HHAA Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2c3c(nn2C)CCCC3)c1 768365242 UTAMBDURRCLSPX-QHCPKHFHSA-N 403.526 3.983 0 50 HHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NCc1ccccc1CN1CCCC1=O 952963845 LEXOGUHLJHTZRQ-UHFFFAOYSA-N 413.905 3.741 0 50 HHAA CN1C[C@@H]2C[C@H](N(C)C(=O)Cc3ccccc3OCc3ccccc3)C[C@@H]2CC1=O 1529133524 NQVIWOOQEXYLQY-BHIFYINESA-N 406.526 3.523 0 50 HHAA O=C(NCc1nc(-c2ccccc2)cs1)[C@@]1(Cc2cscn2)C[C@H]2CC[C@@H]1N2 1704325448 NBARRVDKZLOBOF-FYINFDKHSA-N 410.568 3.636 0 50 HHAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccc(Cl)cc1)C2 1857693750 KXSXESBVJMXHIJ-KJXAQDMKSA-N 420.981 3.596 0 50 HHAA C[C@@H]1CCN(C(=O)c2cccc3ccn(C)c23)C[C@@H]1CNC(=O)c1ccncc1Cl 1875326762 JBMTWFWGRACCOZ-WBVHZDCISA-N 424.932 3.755 0 50 HHAA O=C1C[C@@H](C(=O)N2Cc3ccccc3N3CCC[C@@H]3C2)CN1Cc1ccccc1Cl 1875331509 KQMJXHXJOBFCQB-WOJBJXKFSA-N 423.944 3.700 0 50 HHAA CN(C[C@@H]1COc2ccccc2O1)c1ccnc(-c2cncc(Br)c2)n1 1875332845 NPALXPNIMFQVBM-OAHLLOKOSA-N 413.275 3.577 0 50 HHAA Cc1cccnc1-c1cn(CCCCNC(=O)C(F)(F)/C=C/c2ccccc2)nn1 2325870981 XRVJAXZWSBJWQS-VAWYXSNFSA-N 411.456 3.894 0 50 HHAA CSC1=C(C(=O)N[C@H]2CCCC[C@H]2N(C)C(=O)[C@H]2CC(C3CC3)=NO2)CCCC1 2325872874 QBNMRCYLZPASBG-QXAKKESOSA-N 419.591 3.618 0 50 HHAA O=C(c1ccc(Cn2ccnc2)o1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356141900 VFLWEDGKQUYKQL-UHFFFAOYSA-N 416.481 3.710 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cc(C)on4)C3)[C@@H]3CCCCN23)c1 2356143806 XFGJHCPXGRTKLR-FUKQBSRTSA-N 409.530 3.549 0 50 HHAA COc1cc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OC)cc1Cl 851362 ZCNGIHXFXQKRQP-GOSISDBHSA-N 416.861 3.617 0 50 HHAA CC(=O)Nc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccccc3)c2C)cc1 1013802 AAMDOSLAPOSDBQ-UHFFFAOYSA-N 401.513 3.847 0 50 HHAA C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1098474 GCGIRMXJFKZADT-MRXNPFEDSA-N 404.557 3.981 0 50 HHAA Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 1147453 COLSFZNVERRXJJ-UHFFFAOYSA-N 420.487 3.736 0 50 HHAA Cc1ccc(N(C(=O)c2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 1317963 ALTXUCMXKGFFCO-KRWDZBQOSA-N 406.301 3.715 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)NC(C)(C)C)c2C)cc1 4276368 NSGUAKINHHSWMG-UHFFFAOYSA-N 424.588 3.514 0 50 HHAA O=C(NCc1ccncc1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11667778 BKXJPHLNEFMOSC-FQEVSTJZSA-N 413.525 3.560 0 50 HHAA COc1cccc(CC2=NO[C@H](C(=O)N[C@@H](c3ccncc3)c3ccccc3C)C2)c1 11881096 XIRBENFLBKLULF-ZEQRLZLVSA-N 415.493 3.992 0 50 HHAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C3CCSCC3)C2)c(OC)c1 11946740 VSHFXOLMUFCRCX-QGZVFWFLSA-N 406.592 3.708 0 50 HHAA Cc1cc(C(=O)NC[C@@H]2CCC3(CCN(CC[C@@H](C)c4ccccc4)CC3)O2)n(C)n1 12135788 LMWHMDYKNKMUFL-KNQAVFIVSA-N 424.589 3.666 0 50 HHAA COCC(=O)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@H]1CCCO1 12282371 OPESEUBLXDSNSS-OAQYLSRUSA-N 401.478 3.601 0 50 HHAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)CSc1ccncc1 12315086 JNEZHKRPGKZHAX-GOSISDBHSA-N 401.551 3.726 0 50 HHAA Cc1c(C)n(CCN(C)C)c2ncn3nc(-c4ccc5ccccc5c4O)nc3c12 13628406 OSKRQHDYHCAFJU-UHFFFAOYSA-N 400.486 3.783 0 50 HHAA COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1C 13881547 JDCVTVTYNRIQNN-YVLHZVERSA-N 400.431 3.818 0 50 HHAA CN(Cc1ccccc1)Cc1nnc(SCc2ccccn2)n1C[C@@H]1CCCO1 14886626 ZFKGSOIZHAGWDY-FQEVSTJZSA-N 409.559 3.776 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 16426675 QXMHKRREWFSWRE-UHFFFAOYSA-N 424.478 3.819 0 50 HHAA O=c1cc(CSc2nc3ccccc3s2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12 18222209 UFFCSXOLRAKGEI-UHFFFAOYSA-N 406.492 3.909 0 50 HHAA CCOC(=O)N1CCN(Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)CC1 19818004 WDXAWFCEWXFWDF-UHFFFAOYSA-N 423.542 3.802 0 50 HHAA CCCCn1c(CN(C)Cc2cccnc2)cnc1S(=O)(=O)CCCC(C)C 55325750 HGHLZESWZVWBRO-UHFFFAOYSA-N 406.596 3.920 0 50 HHAA CCc1noc([C@@H](C)NC(=O)Cc2c3c(n(C(C)C)c2C)CC(C)(C)CC3=O)n1 95500678 YJRVUTNCPBLTHN-CYBMUJFWSA-N 400.523 3.898 0 50 HHAA Clc1ccc([C@H]2Cn3nnc(-c4noc(-c5ccc6c(c5)OCO6)n4)c3CO2)cc1 169780850 TXSJCPQAYNDCJH-QGZVFWFLSA-N 423.816 3.649 0 50 HHAA Cc1nc(-c2ccccc2NC(=O)CNC(=O)c2ccc(Br)o2)cs1 225432954 FBNBHGYVFCTOSY-UHFFFAOYSA-N 420.288 3.843 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 245309781 GIGPECARGLMMHZ-UAFMIMERSA-N 410.832 3.584 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(C)cc4C)ccn3n2)cc1 263619280 XWTQOINSGZCCJN-QHCPKHFHSA-N 403.482 3.912 0 50 HHAA CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 328596449 QOYGDMHGFDHVLF-SNVBAGLBSA-N 413.845 3.711 0 50 HHAA COc1ccc2nc(C)c(C(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)cc2c1 775198651 IWHVKFXTSYAKKQ-UHFFFAOYSA-N 408.473 3.901 0 50 HHAA COCc1cc(=O)c(O)c(-c2[nH]c(-c3cc(O)ccc3O)nc2-c2ccccc2)o1 1857526723 VEJXUJRXJVBRNX-UHFFFAOYSA-N 406.394 3.627 0 50 HHAA COc1ccc(-c2nc(CNC(=O)c3cccc(OC(F)F)c3)c(C)o2)cc1O 1857678302 URYXGGGVAZXZNP-UHFFFAOYSA-N 404.369 3.896 0 50 HHAA O=C(O)c1cc2c(s1)C1(CCN(C(=O)Nc3cc(F)ccc3F)CC1)OCC2 1857694308 KBXKZQVLHDPNBK-UHFFFAOYSA-N 408.426 3.820 0 50 HHAA CCc1ncc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)O[C@H](c3ccccc3)C2)cn1 1857722417 VAXKSHBSXICAQG-FCHUYYIVSA-N 417.465 3.723 0 50 HHAA CC[C@@H](Oc1ccc(CO)cc1)c1cn(Cc2cccc(C(=O)NCC(C)C)c2)nn1 1875317568 DADGZZOJBUXMQW-HSZRJFAPSA-N 422.529 3.735 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3cc(-c4ccccc4)nn3C)CC1)OCC2 2356156468 CTSVRKSJBSCVPI-UHFFFAOYSA-N 417.509 3.800 0 50 HHAA C[C@H](Oc1ccccc1)C(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2)n1 682242 TVXXZVQFTTYDBI-IRXDYDNUSA-N 405.454 3.894 0 50 HHAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 853932 HDWVVZKNCFAWCI-UNMCSNQZSA-N 422.481 3.616 0 50 HHAA biogenic COc1ccc(C(=O)NC(=S)Nc2ccc(C(C)=O)cc2)cc1Br 881910 XEXYFRHVNZXJFU-UHFFFAOYSA-N 407.289 3.787 0 50 HHAA Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc(C)c1Cl 3105559 PIHXJICHJASWBV-UHFFFAOYSA-N 410.923 3.661 0 50 HHAA C[C@H](CCc1ccco1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl 4776771 DKOZMEZXLFVQIM-LLVKDONJSA-N 419.330 3.588 0 50 HHAA CCOc1cc(C=O)cc(I)c1OCC(=O)c1ccccc1 4813584 BJLYVXFFNIWBOD-UHFFFAOYSA-N 410.207 3.764 0 50 HHAA CN(Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1)Cc1cccnc1 11934536 JYHIDZVHBVCDIS-XMMPIXPASA-N 405.542 3.585 0 50 HHAA O=C1CC[C@@H](CCNCc2ccccc2F)N1C[C@H](c1cccnc1)N1CCCCC1 12056828 CDJVABFBWVRXFK-LADGPHEKSA-N 424.564 3.919 0 50 HHAA COc1ccc(CCn2c(C)cc(=O)c(C(=O)NCC(C)C)c2C2CC2)cc1OC 12163339 NRSWZRHCGNSKQU-UHFFFAOYSA-N 412.530 3.680 0 50 HHAA CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)[C@H](c2cccnc2)n2ncnc2N1 12384921 HYNQKDAFMVSVNP-INIZCTEOSA-N 401.257 3.908 0 50 HHAA CC(C)CN1CCC(CN(C)C(=O)c2cc(COc3c(F)cccc3F)on2)CC1 12439066 ZBAORXPJEMPWPJ-UHFFFAOYSA-N 421.488 3.972 0 50 HHAA O=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CCC(Oc2ccccc2Cl)CC1 12701580 GMZNXEJKIJJTOY-INIZCTEOSA-N 404.938 3.891 0 50 HHAA CCOC(=O)c1c2c3c(c(Br)cc(C)c3[nH]c1=O)C(=O)c1ccccc1-2 17047056 UPPWYHBZBLCPDK-UHFFFAOYSA-N 412.239 3.987 0 50 HHAA Cc1nc2ccccc2nc1CN1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 20448783 QMQCZWCEWAVKLI-QFIPXVFZSA-N 401.558 3.725 0 50 HHAA COc1cccc(OC)c1CN1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 20998052 XNUVMTDXBRPTGO-NRFANRHFSA-N 413.537 3.630 0 50 HHAA Cc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1 23340039 FCIXDBXTCRSKHK-JOCHJYFZSA-N 421.545 3.673 0 50 HHAA c1ccc(Cn2cc(CN3CCN4CCC[C@@H]4C3)c(-c3ccc4c(c3)OCO4)n2)cc1 23358786 GYZCCCHCWUEOMJ-JOCHJYFZSA-N 416.525 3.607 0 50 HHAA C[C@@H]1CCO[P@](=O)([C@H](NS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 42378191 GVCVGXDNHLVKFU-SFXNISCSSA-N 422.654 3.680 0 50 HHAA COC(=O)c1ccc(N2CCN(Cc3c[nH]nc3-c3cc4ccccc4o3)CC2)cc1 55569088 UMIKBMUDIWMVHN-UHFFFAOYSA-N 416.481 3.932 0 50 HHAA Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc(CSc3ncccn3)o2)c1 65460567 JWBHPVGJGLIUNN-UHFFFAOYSA-N 410.499 3.737 0 50 HHAA COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2c1nc(C)cc(C)n1 77488487 SPNBLHUJMJYMNO-FPOVZHCZSA-N 400.482 3.763 0 50 HHAA COc1ccc(CN2CCN(Cc3nc4ccccc4s3)C[C@H]2CCO)cc1C 104349927 ALZFQWLYNDVKSI-LJQANCHMSA-N 411.571 3.682 0 50 HHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c(Cl)c1)N1CCCN1[C@H]2c1ccc(F)cc1 138559718 TXHRYVAYLONMQQ-OKZBNKHCSA-N 420.271 3.668 0 50 HHAA COc1nc(C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2)cc2ccccc12 170632929 OECASSRHEABCKV-LJQANCHMSA-N 407.495 3.706 0 50 HHAA COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCOCC2)cc1 225584128 MOZHALWCICXVFI-UHFFFAOYSA-N 424.541 3.857 0 50 HHAA biogenic Cc1cccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)C(=O)c2ccccc2)c1 239338629 KVOJDABPDJXEKZ-RCTKEMKKSA-N 412.489 3.652 0 50 HHAA CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 248288806 IMFUQJQXYOLUHK-UOVKNHIHSA-N 401.440 3.646 0 50 HHAA O=C(NC1(c2cccc(Br)c2)CCOCC1)c1occ2c1CCOC2 795791267 WSKPIOBMNGTTHG-UHFFFAOYSA-N 406.276 3.551 0 50 HHAA O[C@@H](CNCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1C(F)(F)F 920426106 IFHZOXKYDWKWBL-SFHVURJKSA-N 423.431 3.806 0 50 HHAA Cc1cc(-c2ccc(S(=O)(=O)N3CCCN(Cc4cccs4)CC3)s2)on1 952983657 UQNCSMBZJKKMMP-UHFFFAOYSA-N 423.585 3.670 0 50 HHAA CCOc1ccc(C2(CNC(=O)c3ccccc3N3CCCC3=O)CCOCC2)cc1 1318005264 GZXITJMHPAKNFA-UHFFFAOYSA-N 422.525 3.690 0 50 HHAA COc1cc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)ccc1OCc1cccc(C)c1 1704299984 WPTRMUVMPVLGEE-BHIFYINESA-N 408.542 3.929 0 50 HHAA COc1c(Cl)cc(Cl)cc1CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704310812 UANMGSITNZICNZ-GHTZIAJQSA-N 424.324 3.882 0 50 HHAA Cc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)n1C(F)F 1857736809 XMANSNDEBXRGMH-SOLBZPMBSA-N 409.864 3.789 0 50 HHAA O=C(NS(=O)(=O)[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1Cc2ccc(F)cc21 1875255122 KRDROPQDYMQVSM-VXKWHMMOSA-N 409.482 3.895 0 50 HHAA COC(=O)c1cc2n(n1)CCC[C@H]2Nc1ncnc2c(Br)cc(C)cc12 1875341159 IREVAQUUWNBQJI-CYBMUJFWSA-N 416.279 3.631 0 50 HHAA O=C(c1ccc2ccccc2c1)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356165248 ZNTOBCIFOXIBNV-HWBMXIPRSA-N 406.526 3.741 0 50 HHAA CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 839843 BJIJWZJIPAOEHB-UHFFFAOYSA-N 424.478 3.634 0 50 HHAA CCOC(=O)c1sc2ncn(Cc3ccc(Br)cc3)c(=O)c2c1C 951857 NDFOJWRERUMBMF-UHFFFAOYSA-N 407.289 3.754 0 50 HHAA O=C1C[C@@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(Cl)cc1 1068471 JNINZMABMZHBPH-GOSISDBHSA-N 409.873 3.993 0 50 HHAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Br)c1 1188893 BWTGRWFMMHSJRY-KRWDZBQOSA-N 416.275 3.724 0 50 HHAA C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2C1=O 2868601 UUTBRGSTQJFDOS-AWEZNQCLSA-N 414.417 3.994 0 50 HHAA Cc1c(C(=O)NCCc2cccs2)sc2ncnc(NC[C@@H]3CCCO3)c12 11872024 AYQHMANVGBHQAF-ZDUSSCGKSA-N 402.545 3.625 0 50 HHAA Cc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@@H](CNC(=O)CCC(=O)N(C)C)C2 11976725 GPJGDVKCUYPFHM-GOSISDBHSA-N 400.906 3.604 0 50 HHAA Cc1csc(CN(C)C(=O)c2sc3ncnc(NC[C@@H]4CCCO4)c3c2C)n1 12124624 KBMNLBQWAJCHNW-ZDUSSCGKSA-N 417.560 3.628 0 50 HHAA COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)CC1 19794687 FXCBDRDNWHMBSG-HSZRJFAPSA-N 407.558 3.684 0 50 HHAA CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)CN2CCc3ccccc3C2)C1 39364272 SYQRIQYJBZINKB-FQEVSTJZSA-N 408.567 3.888 0 50 HHAA Cc1nn(C)cc1CN(C)Cc1ccc(-c2nc(O)c(C)c(C(F)(F)F)n2)cc1 48488375 LYLNFELOXWGCAC-UHFFFAOYSA-N 405.424 3.850 0 50 HHAA CCCCn1c(CN(C)Cc2cccc(OC)c2)cnc1S(=O)(=O)CC1CCC1 55369040 BJMPJYXXWOYXHH-UHFFFAOYSA-N 419.591 3.898 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccccc5Cl)n4)c3CO2)cc1 169769154 MPGGOVWEKIZPLP-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2ccc3[nH]ccc3c2)CC1 245255491 IXELNWNGXLHCDO-WKILWMFISA-N 401.470 3.718 0 50 HHAA COC[C@H](NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 252537339 KYRLKKDTSBXEHV-HBMCJLEFSA-N 408.464 3.618 0 50 HHAA O=C1CCN(C(=O)c2ccc(-c3ccccc3F)cc2)CCN1Cc1ccncc1 299756339 HGLNNGOTDBHHKW-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)NCc4c(C)noc4C)csc3C2)nc1 426465358 ZIPXKGSOPRWVRJ-UHFFFAOYSA-N 410.543 3.799 0 50 HHAA Cc1nc(NS(=O)(=O)c2cccc(Cl)c2Br)nc2c1CCCC2 430058704 ZZJOUWWTJRATNT-UHFFFAOYSA-N 416.728 3.881 0 50 HHAA CNc1nc(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cs1 1704303769 OELQJBMWEIVQFD-QFIPXVFZSA-N 405.527 3.762 0 50 HHAA COc1cc(-c2onc(N(C)C)c2C(=O)N(C)CCC[C@@H]2CCCO2)ccc1F 1704327292 REZSUEJKSSVRRK-OAHLLOKOSA-N 405.470 3.587 0 50 HHAA NC(=O)c1ccc(/N=c2\scc(-c3cnccn3)n2CCC[C@H]2CCCCO2)cc1 1875255790 KVJZWVFDJHQELG-PPFHAMGKSA-N 423.542 3.687 0 50 HHAA CC[C@]1(O)CCC[C@H]2CN(C(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)C[C@H]21 2356165036 PQOJOLKGLAGFHC-NOXFTYBFSA-N 418.965 3.592 0 50 HHAA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c1OC 862832 YUKZKHBKJZVGOZ-QGZVFWFLSA-N 401.850 3.624 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2Cl)c(OC)c1 909870 JYYRQUVQWBUOQH-SFHVURJKSA-N 401.850 3.624 0 50 HHAA CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1 979721 YLZZEWGTEXXZRX-AWEZNQCLSA-N 410.923 3.840 0 50 HHAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccccc1 1058606 NTWVKUOTDNTXLI-UHFFFAOYSA-N 416.543 3.602 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 1162153 BZARZIFERNWESX-UHFFFAOYSA-N 422.550 3.845 0 50 HHAA Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccc(Br)c1 1165817 RXXASQSJZYCOAG-UHFFFAOYSA-N 401.293 3.590 0 50 HHAA O=C(N[C@H](Cc1ccccc1)C(=O)NCCSc1ccccc1)c1ccccc1 2171954 ZMVLAFZLXUFBOC-JOCHJYFZSA-N 404.535 3.936 0 50 HHAA CCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cn1)C(Cl)(Cl)Cl 3019074 JSQQVENGFPGMJK-SNVBAGLBSA-N 404.150 3.634 0 50 HHAA CCN(c1cccc(C)c1)S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCCC1 9684475 WGCWCMXUIKTQKT-UHFFFAOYSA-N 403.548 3.781 0 50 HHAA O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 11841406 UEGCOKQOWIPSKV-HSZRJFAPSA-N 411.885 3.904 0 50 HHAA O=C(NCCc1ccccc1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12074107 ZVGYVFADJLINPC-GOSISDBHSA-N 404.432 3.803 0 50 HHAA COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)CCCC3CCCC3)cc2)CC1 12208806 ZAZTYTKYLNVVAV-UHFFFAOYSA-N 416.562 3.745 0 50 HHAA COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3scc4c3OCCO4)C2)cc1C 12576461 QIZGKTFRDZMYHR-HNNXBMFYSA-N 415.511 3.880 0 50 HHAA Cc1c(C)n(CCO)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 13625207 QXDDDMBPSCGNOX-UHFFFAOYSA-N 410.528 3.590 0 50 HHAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(CC[C@@H](C)c1ccc(C)o1)CC2 14539615 WFNZBUDZKHRBPE-GOSISDBHSA-N 424.545 3.796 0 50 HHAA CCCCn1c(CN(CC)CCn2cccn2)cnc1S(=O)(=O)CCCC(C)C 20599620 ZZMSKIXKZRUTPB-UHFFFAOYSA-N 423.627 3.612 0 50 HHAA O=C(N[C@@H](CO)C(=O)OCc1ccccc1)OCC1c2ccccc2-c2ccccc21 38530108 GXJVEJVEJKIXCH-QHCPKHFHSA-N 417.461 3.629 0 50 HHAA in-vitro O=C(NC1CCCCCCC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82083854 ZCLNJGMGKIGSLU-JOCHJYFZSA-N 412.622 3.987 0 50 HHAA Cc1nc(-c2ccc(F)cc2)n(Cc2cccc(C(F)(F)F)c2)c(=O)c1CCO 169754357 LCYKUICGSYRJNG-UHFFFAOYSA-N 406.379 3.960 0 50 HHAA CCN1c2cc(C(=O)NCc3ccc(OC)cc3)ccc2C(=O)N2CCCCC[C@H]21 169766294 AMVTUMPTDLXDPL-QFIPXVFZSA-N 407.514 3.807 0 50 HHAA CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cnc(C)cn2)cc1 225718959 DBXIXJAREMEBNW-HXUWFJFHSA-N 410.518 3.782 0 50 HHAA Cc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)cc1 239287445 CUTVFQBBMABSOB-BRUBAJSFSA-N 419.477 3.781 0 50 HHAA CCOC(=O)C1([C@H](C)NCC(C)(C)SC)CCN(C(=O)OC(C)(C)C)CC1 241231271 KTLOIURAZNKMFX-HNNXBMFYSA-N 402.601 3.687 0 50 HHAA COCCn1ccc2c(OCC(=O)Nc3ccc4c(C)cc(O)nc4c3)cccc21 263588182 QCWRAZMUZMUONO-UHFFFAOYSA-N 405.454 3.867 0 50 HHAA CCOC(=O)Cc1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)c(Cl)c1 328600076 VLNIVZKUVSONRL-UHFFFAOYSA-N 403.834 3.833 0 50 HHAA COCCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 409415026 RNSYTVZHTBTVMV-DENIHFKCSA-N 404.599 3.742 0 50 HHAA CCn1c(O)nc2cc(-c3nc(-c4ccccc4Br)no3)ccc2c1=O 460139569 NWXFWTQCVNXRTK-UHFFFAOYSA-N 413.231 3.602 0 50 HHAA COc1ccccc1/C=C(/C(=O)N1CC[C@H](OCCN2CCCC2)C1)c1ccccc1 752109253 ZGXBLJXFKGBBOP-DYCNOPEISA-N 420.553 3.949 0 50 HHAA COCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)cc1 774617562 AQFSLGBYKQOVCI-UHFFFAOYSA-N 405.863 3.870 0 50 HHAA Fc1ccc(-c2ccnc(C3CCN(Cc4nc5c(s4)CNCC5)CC3)n2)cc1 952894948 VILIPXGDDZOLJV-UHFFFAOYSA-N 409.534 3.765 0 50 HHAA CO[C@@H]1C[C@@H](COc2cccnc2)N(c2nc(-c3cccnc3)nc3ccccc23)C1 1875256954 MPPQRYDXFCTTKZ-AZUAARDMSA-N 413.481 3.760 0 50 HHAA COc1ccn2c(C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3C)cnc2c1 1875333228 JSDBXTWFWVWXAS-UHFFFAOYSA-N 401.426 3.551 0 50 HHAA Cc1cc2ncn(C[C@@H](O)CNC(=O)c3[nH]c4ccc(F)cc4c3Cl)c2cc1C 2325722181 CYJGBHBQTPFUOY-AWEZNQCLSA-N 414.868 3.718 0 50 HHAA CCOC(=O)c1sc(NC(=O)COc2ccc(C)cc2)c(C(=O)OCC)c1C 626390 DIPJMYPOUAJHMQ-UHFFFAOYSA-N 405.472 3.736 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)CC1 792738 HCPPLAMBJOCPSA-KRWDZBQOSA-N 402.516 3.513 0 50 HHAA O=C(c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCSCC1 866664 QGXBJKKEGIDPAJ-AAEUAGOBSA-N 402.467 3.794 0 50 HHAA Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1c(Cl)cnn1C 1087892 XZKWBEABVHOLIU-UHFFFAOYSA-N 400.788 3.734 0 50 HHAA CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1160923 WWSJVZOEXZHKNP-UHFFFAOYSA-N 407.706 3.906 0 50 HHAA O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1 1642602 HELCSESNNDZLFM-UHFFFAOYSA-N 420.294 3.686 0 50 HHAA in-vitro CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)CC1 4120514 WZDGNRKANQJGDB-UHFFFAOYSA-N 401.894 3.660 0 50 HHAA Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCCCCC3)cc21 4193550 GXOKJABDSHZWTB-UHFFFAOYSA-N 414.502 3.891 0 50 HHAA O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)NCCc1ccc(F)cc1 11815189 VQGKPAZMCMRHRC-UHFFFAOYSA-N 406.461 3.767 0 50 HHAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2Cl)nn1 11818877 SVWSPRCQGXZVBH-GOSISDBHSA-N 412.925 3.570 0 50 HHAA CC(C)CC[C@@]1(C2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)NC(=O)NC1=O 11838805 NGUOOLNLNIBXKD-PABBZOGXSA-N 417.937 3.606 0 50 HHAA Cc1nc(CC(=O)NC[C@H]2Cc3c(ccc4cc(-c5ncccn5)ccc34)O2)cs1 11976179 VWSNLAYAMFLOPJ-GOSISDBHSA-N 416.506 3.724 0 50 HHAA O=C(NCC1(N2CCCCC2)CCCC1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 12020576 JBQWEWSFACOECP-FQEVSTJZSA-N 403.611 3.863 0 50 HHAA COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1OC 12371628 UXSJSZVHIAATES-YBEGLDIGSA-N 416.430 3.518 0 50 HHAA Cc1ccccc1[C@@]1(CC(=O)N2CCC[C@H](C)C2)CC(=O)N(Cc2ccccc2)C1=O 14879735 RLRJHFIUUBAGRD-AFMDSPMNSA-N 418.537 3.841 0 50 HHAA O=C1C[C@H](c2ccc(Cl)cc2)Cc2c1cnc1nc(N3CCCCC3)[nH]c(=O)c21 19973983 PAMYKYGLPTYKCL-CQSZACIVSA-N 408.889 3.875 0 50 HHAA CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H]2CCCCN2C)C3)s1 39354998 YDVFMXIQRPAVIG-SJLPKXTDSA-N 416.518 3.661 0 50 HHAA CC(C)Cn1c(CC2(CC(=O)N3CCc4n[nH]cc4C3)CCCC2)nc2cccnc21 77487612 AKWDEQNRMSOCCM-UHFFFAOYSA-N 420.561 3.888 0 50 HHAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 100921231 OXKSNWLCYHGWDF-OXJNMPFZSA-N 410.605 3.576 0 50 HHAA COc1cccc([C@H]2Cn3nnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)c1 169758474 SYFZRYPCUTXTDI-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA CC[C@@H](C(=O)NCc1nnc2ccc(-c3ccc(OC)cc3)nn12)c1ccccc1 169781389 XQEUDCHUIKNKAT-LJQANCHMSA-N 401.470 3.610 0 50 HHAA CCN(CC(=O)NCc1ccc(C)c(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 225670355 QAUYCIZUAMLZSG-IBGZPJMESA-N 421.557 3.862 0 50 HHAA COc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239164771 MWIXYJCPLHLNDZ-KIHPVRBWSA-N 414.461 3.505 0 50 HHAA CCn1nc(C)c([C@@H](C)NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c1C 670472292 BHXZNGCYIYGUFX-GFCCVEGCSA-N 408.549 3.893 0 50 HHAA O=C(NC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)OC3)C1)OCc1ccccc1 808887144 OTKGPZNEEQEMDJ-KRWDZBQOSA-N 423.469 3.527 0 50 HHAA CCc1oc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)cc1CN1CCCC1 823570870 ZSZZSHXITPRMCB-SFHVURJKSA-N 401.576 3.894 0 50 HHAA CC(=O)Nc1ccccc1SCC(=O)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 827989648 KPYMNRBWUWNJQO-NSFRYCMZSA-N 402.560 3.573 0 50 HHAA CC(C)Oc1ccc2cc(C(=O)Nc3ccccc3CN3CCOCC3)c(=O)oc2c1 952868434 ONBSNKGZYRGIPH-UHFFFAOYSA-N 422.481 3.665 0 50 HHAA Cc1nn(C)cc1NC(=O)CN1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 1506413772 KWGPUWDTPKDOOR-UHFFFAOYSA-N 412.925 3.590 0 50 HHAA COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)c(OC)c1 1177400 COELZKRGDSOTOI-FQEVSTJZSA-N 411.527 3.752 0 50 HHAA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)cc2OC)cc1 2818684 JSXJVNVBEIZGDB-UHFFFAOYSA-N 420.531 3.767 0 50 HHAA COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 2876486 OWKHTIJCHGDHHK-LLVKDONJSA-N 417.314 3.795 0 50 HHAA COc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1Br 2972136 OLYPPAXKHVWKPM-UHFFFAOYSA-N 402.335 3.528 0 50 HHAA CCOCCCNCc1c(C(=O)OCC)cnn1-c1ccnc2cc(Cl)ccc12 12036886 ZLYQWWQOVPXWKB-UHFFFAOYSA-N 416.909 3.767 0 50 HHAA O=C(c1ccoc1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 12151714 QDWXVSJSHWJQON-UHFFFAOYSA-N 417.509 3.637 0 50 HHAA O=C(NC[C@H]1CCCN(Cc2nc3ccccc3s2)C1)c1n[nH]c2ccccc12 12317233 KXDGRJDPJUCYBU-OAHLLOKOSA-N 405.527 3.815 0 50 HHAA COc1ccccc1N1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 14196352 BQHUPAGHYYLGPW-UHFFFAOYSA-N 409.511 3.870 0 50 HHAA COc1cccc(C(=O)N2CC[C@H]3[C@@H](CCCN3C(=O)[C@@H](OC)c3ccccc3)C2)c1 43641773 OZHXSPSIXPSHET-PMVMPFDFSA-N 422.525 3.536 0 50 HHAA O=C(c1cccnc1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55196158 OJEDSTWMEGMDFZ-HXUWFJFHSA-N 418.463 3.527 0 50 HHAA COc1cccc(CC2(CO)CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1 67713238 GHSHDUUMRBBCFO-UHFFFAOYSA-N 408.586 3.977 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc4cnccc34)C[C@@H]2CCO)c(C)c1C 76973266 WNDPZLUVNYFMAG-DEOSSOPVSA-N 419.569 3.929 0 50 HHAA O=C(/C=C/c1ccc(Cl)cc1)NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12 169776365 KGDAUFQBGBTVKC-FPYGCLRLSA-N 420.860 3.640 0 50 HHAA COc1ccc2nc(C)cc(SC[C@H](NC(=O)c3cccs3)C(=O)O)c2c1 238923529 OLUZXPLNHBRQQN-HNNXBMFYSA-N 402.497 3.589 0 50 HHAA COCCn1c(C)cc(C)c(C(=O)N[C@H]2CCCc3c2[nH]c2ccc(F)cc32)c1=O 252490083 KISJQKGBXKASHI-IBGZPJMESA-N 411.477 3.539 0 50 HHAA COc1ccc([C@H](CC(=O)Nc2cccc(OC)c2)c2c(O)cc(C)oc2=O)cc1 253470791 DSFDLACOASROGJ-IBGZPJMESA-N 409.438 3.832 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4cc(C)on4)csc3C2)nc1 426685479 XYXATDKCYSDNEL-UHFFFAOYSA-N 410.543 3.832 0 50 HHAA O=C(c1cccc(F)c1)N1CCCN(C(=O)c2ncsc2-c2ccccc2)CC1 437579454 QZZLTBMTFYOLGJ-UHFFFAOYSA-N 409.486 3.938 0 50 HHAA COCCn1c(NC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21 464342595 NBFCDVOZQXIGBL-XMMPIXPASA-N 420.513 3.564 0 50 HHAA COc1ccc(-c2ccno2)cc1S(=O)(=O)N(C)[C@@H](C)c1nc(C)sc1C 952869605 KBORUVGVYDKGIQ-NSHDSACASA-N 407.517 3.805 0 50 HHAA CN1CCN(Cc2cccc(CNC(=O)N3CCCCC[C@@H]3c3ccco3)c2)CC1 1321968333 AZVVJYCBMQEWRX-JOCHJYFZSA-N 410.562 3.854 0 50 HHAA COCCc1noc(CN(C)Cc2cc(C)cc(CN3CCCC[C@H]3C)c2C)n1 1506420961 FDAPJZVWHGIAFM-GOSISDBHSA-N 400.567 3.882 0 50 HHAA COCCC(=O)N1CCC[C@H](c2nc(-c3ccco3)nn2Cc2ccccc2)CC1 1772811133 SKAYBHCOODCUKS-IBGZPJMESA-N 408.502 3.719 0 50 HHAA O=C(NCc1cccc(NC(=O)Nc2ccccc2)c1)NC[C@H]1CCn2ccnc2C1 1875264115 JCDFSNXUKPPEJV-SFHVURJKSA-N 418.501 3.589 0 50 HHAA Cc1ccc(NCCC(=O)NCc2cccc(C(=O)N=c3cc[nH]cc3)c2)cc1Cl 1875264939 VDHJNINEXVJNHZ-UHFFFAOYSA-N 422.916 3.836 0 50 HHAA Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 2325725418 WFCWLPMRKVGDRA-IBGZPJMESA-N 406.505 3.690 0 50 HHAA Cc1cc([C@@H](NC(=O)c2nc(N3CCOCC3)ncc2Cl)C(C)C)c(C)s1 2325726480 QBPBIUDPQAIDFM-INIZCTEOSA-N 408.955 3.772 0 50 HHAA CC(=O)NCc1ccc([C@H]2CCCN2C(=O)c2cc(=O)c3cc(Cl)ccc3o2)o1 2325737677 AOZZSTOIPNSQJG-MRXNPFEDSA-N 414.845 3.653 0 50 HHAA O=C1CCc2cc(OC[C@@H](O)CNCc3cc(Cl)cc4ccoc34)ccc2N1 2325860270 BAUSQITZAHFBGC-KRWDZBQOSA-N 400.862 3.500 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCC(c3cccc(Br)c3)CC2)CC1 2325883861 BZBZRQAOFJDQJP-UHFFFAOYSA-N 405.336 3.580 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc(OC)c4ccccc4n3)C2)[C@@H]2CCCC(=O)N12 2356137367 LIPKMUKRBFGHAX-YVCBRDFCSA-N 421.541 3.885 0 50 HHAA O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc2c(c1)OCCO2 1018867 IVSLGKMGVUTCIC-UHFFFAOYSA-N 403.847 3.892 0 50 HHAA C[C@@H]1CCc2c(sc3ncnc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)c23)C1 2837797 FSSDUVYEUJGRMY-OAHLLOKOSA-N 422.554 3.867 0 50 HHAA COc1cc(C)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1C 4580656 AKXAWFUPRQISDT-UHFFFAOYSA-N 418.603 3.587 0 50 HHAA CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cc(COc2cccc3cccnc23)on1 11818955 KHEHJVGBYDFIJG-UHFFFAOYSA-N 417.469 3.676 0 50 HHAA COc1ccccc1OCC(=O)N(C)C[C@H]1CCCN(CCc2ccccc2C)C1 12049639 FCFHONCSPXTZPZ-OAQYLSRUSA-N 410.558 3.796 0 50 HHAA O=C1NC(=O)[C@](CCc2ccccc2)(C2CCN(Cc3c[nH]c4ccccc34)CC2)N1 12149213 DSRAUTYFPBUNQO-VWLOTQADSA-N 416.525 3.591 0 50 HHAA CCCn1cc([C@@H]2C[C@H]3CN(Cc4ccc(OC)cc4)C(=O)[C@]34CCCN24)c(C)n1 12458541 PLTDOLMVSPSFJU-APTRMMRNSA-N 408.546 3.548 0 50 HHAA CSCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 12745482 DRZYWKCEOKBNLR-IBGZPJMESA-N 400.548 3.562 0 50 HHAA Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc4nsnc4c3)N3CCC[C@@]23C1=O 13593977 GYWZAAMIPPLUMN-HARLFGEKSA-N 404.539 3.938 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCCc1ccc(OC)cc1)C2 14536701 ZLHIRAGOHVTXLO-FQEVSTJZSA-N 424.589 3.617 0 50 HHAA O=Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 14966363 RSDGMFYETNPCTR-MRXNPFEDSA-N 414.452 3.726 0 50 HHAA CSc1ncc(CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)cn1 15067387 VYWROMVACAMSIL-OAQYLSRUSA-N 404.624 3.834 0 50 HHAA COc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)c(C)c1C 19745194 DKURQUGGXSRWNA-QHCPKHFHSA-N 407.558 3.862 0 50 HHAA C[C@H]1CN(Cc2ccc3c(c2)CN(C(=O)c2ccc(F)cc2F)CCO3)C[C@@H](C)O1 20774939 OKFJHIGXRVGMLH-IYBDPMFKSA-N 416.468 3.609 0 50 HHAA COCc1nn2c(ncc3c(=O)n(C[C@@H]4CCCO4)ccc32)c1-c1ccc(Cl)cc1 40397887 UPLJPLLNSXQCFO-INIZCTEOSA-N 424.888 3.690 0 50 HHAA Cc1cccc(C(=O)Nc2cc(NC(=O)Cc3c(C)nc(N)nc3C)ccc2C)c1 55183038 TUIBWWOQGVDHGN-UHFFFAOYSA-N 403.486 3.726 0 50 HHAA O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)Nc1ccc2c(c1)OCO2 65364026 MBIACLUVMCTMCR-UHFFFAOYSA-N 415.413 3.779 0 50 HHAA COc1cccc(CCc2nc(-c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)no2)c1 169769355 KRXSQWGSUPWHOO-FQEVSTJZSA-N 417.469 3.702 0 50 HHAA COc1ccc(NC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1OC 169772410 BNHYRFPXBNRCAY-UHFFFAOYSA-N 424.423 3.676 0 50 HHAA Cc1ccc(S(N)(=O)=O)c(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1 170615951 UQTFHULGVNBDAG-UHFFFAOYSA-N 408.439 3.547 0 50 HHAA O=C(Nc1cccc(N2CCCS2(=O)=O)c1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 170637507 PSZZGTXPCJSOBC-MSOLQXFVSA-N 405.907 3.558 0 50 HHAA CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc3ccccc3n2-c2ccccc2)c1 225551903 GCHWTWATKICZKE-UHFFFAOYSA-N 420.494 3.528 0 50 HHAA COCCn1c(Cc2ccsc2)nnc1N1CC[C@H](COCc2ccccc2)C1 241774152 RNMKFKJLIGWHNB-FQEVSTJZSA-N 412.559 3.620 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)NCCc4cccnc4)csc3C2)nc1 426526068 KFNWGYFFHCKQII-UHFFFAOYSA-N 406.555 3.631 0 50 HHAA Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(NC(=O)C(C)C)c(Cl)c1 828047856 JOBXMVPYHLXEED-UHFFFAOYSA-N 414.897 3.560 0 50 HHAA O=C1CCc2cc(OC[C@@H](O)CNC(=O)c3cc(Cl)cc4ccccc34)ccc2N1 1445835672 SJLMKJLTVRWUPL-KRWDZBQOSA-N 424.884 3.548 0 50 HHAA C[C@](Nc1ccccc1)(C(=O)N1CCOc2ccc(CO)cc2C1)c1ccccc1 1506399567 OTLNCZAQYXBJJT-RUZDIDTESA-N 402.494 3.927 0 50 HHAA C[C@@H]1CN(Cc2cccc(OCCCn3ccnc3)c2)CCN1c1ccc(F)cn1 1857677191 RIRBVGDNMPIOHB-LJQANCHMSA-N 409.509 3.597 0 50 HHAA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C1=NOC(C)(C)C1)CC2 1875302296 JJRZXXXJZRFPPO-LJQANCHMSA-N 400.500 3.794 0 50 HHAA CN1C(=O)C[C@H](C(=O)N[C@@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c2ccccc21 2325875902 FKBXDLHOQNEPMU-HOTGVXAUSA-N 421.280 3.776 0 50 HHAA O=C(c1cscn1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2CC1CCCCC1 2356146601 MVWWPLHBMRQFHH-UMGGQSCQSA-N 401.576 3.955 0 50 HHAA CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OCC 789898 JAJWBHQTQPGALS-UHFFFAOYSA-N 418.515 3.521 0 50 HHAA CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccs3)C2)c1 1053121 UBGCDCCBEBLSIW-MRXNPFEDSA-N 415.496 3.704 0 50 HHAA CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCc1ccc(C)cc1 2859649 AXPPYOZBNPEPNM-UHFFFAOYSA-N 410.543 3.766 0 50 HHAA O=C1CC[C@](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)(Cc2ccccc2)N1 11871103 OUMLVUOPIHMDGG-NVQXNPDNSA-N 418.537 3.780 0 50 HHAA CCCCNC(=O)c1sc2ncnc(NC[C@@H]3COc4ccccc4O3)c2c1C 11975629 VXWMBMVDVJEEQH-CQSZACIVSA-N 412.515 3.782 0 50 HHAA O=C(c1ccc(Cl)cc1OC1CCN(Cc2ncc[nH]2)CC1)N1CCCCC1 12301993 JLVIXAGNRXDCHX-UHFFFAOYSA-N 402.926 3.733 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@](CO)(CCOc4ccccc4)C3)[nH]n2)o1 12429745 RBOGDWMAZIVTRN-QHCPKHFHSA-N 409.486 3.662 0 50 HHAA Cn1cc(CN[C@H](Cn2ccnc2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 12437610 WNXOAYMHTBLUKD-OAQYLSRUSA-N 415.497 3.586 0 50 HHAA O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)CCN2CCCC2=O)C1 12591208 YTCXFKIWJRSIMY-QFIPXVFZSA-N 404.510 3.787 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1scc2c1OCCO2 12745359 XBCYXPKLKBWSDZ-UHFFFAOYSA-N 418.534 3.685 0 50 HHAA CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 14949261 FDUTVMZGTKLALD-MRXNPFEDSA-N 411.889 3.878 0 50 HHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2c(C)nn(CC)c2C)CC1 14966215 QZSWHDKRDRNYHH-UHFFFAOYSA-N 413.562 3.916 0 50 HHAA O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCc1nc(-c2ccccc2)cs1 14968480 FYTIZCSJCVEXLP-JOCHJYFZSA-N 409.511 3.691 0 50 HHAA O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 17090766 CDAQZPATSIGLSB-GJZGRUSLSA-N 416.543 3.905 0 50 HHAA CCOC(=O)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc23)CC1 17094154 VUDYLRLRVVJOEG-UHFFFAOYSA-N 424.888 3.865 0 50 HHAA Cc1ccn2c(CN[C@@H](C)Cc3cccnc3)c(C(=O)N3CCCCCC3)nc2c1 19228071 VDPPSEUBFVOPON-IBGZPJMESA-N 405.546 3.775 0 50 HHAA C[C@@H](C(=O)NC1CC1)N1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 67756097 JEIRJLQGXXGTOX-KRWDZBQOSA-N 400.526 3.615 0 50 HHAA COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3cccc(N(C)C)c3)n2)cc1OC 169754681 XTZGZTUIVBYVMD-SFHVURJKSA-N 422.485 3.797 0 50 HHAA CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C[C@H]12 253489223 DKZPDNPWKHTWCC-TZNXUKFXSA-N 414.498 3.941 0 50 HHAA CCOC(=O)C[C@@H]1CCCCN1Cc1nc(NCCCOC)c2cc(C)ccc2n1 299757711 IYEPCRCQNHOHRP-SFHVURJKSA-N 414.550 3.694 0 50 HHAA CC1(C)CN(C(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CCS1 434378405 SVDGPCZUHJIYGS-LJQANCHMSA-N 413.543 3.932 0 50 HHAA Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cc(I)c[nH]2)cc1 470270120 GGDDDLIBBUQNMA-GDBMZVCRSA-N 410.255 3.578 0 50 HHAA O=C(NCc1ccc2nsnc2c1)C1CCN(C(=O)c2ccccc2Cl)CC1 670436145 KZBGYSUESPZFEX-UHFFFAOYSA-N 414.918 3.513 0 50 HHAA COC(=O)c1ccc([C@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4c3c2cn4C)cc1 888089329 VSDPUQJIQJUWOP-HXUWFJFHSA-N 415.449 3.815 0 50 HHAA O=C(c1cccs1)N1CCC(NCc2nc(-c3ccccc3Cl)no2)CC1 952974823 JFVWUZCTRVGBEX-UHFFFAOYSA-N 402.907 3.846 0 50 HHAA Cc1c(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)n[nH]c1-c1ccccc1 1857673874 MIUZHQSRIPBNBT-BKSPAHHJSA-N 401.510 3.983 0 50 HHAA COc1cc(CC(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)ccn1 1875342744 FPQXQGZAKWRNPQ-NRFANRHFSA-N 403.473 3.643 0 50 HHAA COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C 602397 ONDYALNGTUAJDX-UHFFFAOYSA-N 406.360 3.548 0 50 HHAA investigational Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3n2)cc1 848686 NEZDHAMLOPNBHW-AWEZNQCLSA-N 404.392 3.632 0 50 HHAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccccc2C(F)(F)F)n2ncnc2N1 1059140 NVJJCLRIMRVHIG-SFHVURJKSA-N 413.403 3.902 0 50 HHAA O=C(CSc1nc(O)cc(-c2ccccc2)n1)NCCOc1ccc(Cl)cc1 2876093 CLPCXQPSRHYQTL-UHFFFAOYSA-N 415.902 3.790 0 50 HHAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cscn2)CC1 11932753 DDWMOHLMMCSFNQ-NRFANRHFSA-N 413.587 3.985 0 50 HHAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)Cc2c(C)noc2C)C3)c1 12281457 ILPYSGKMRQZGKT-UHFFFAOYSA-N 422.481 3.939 0 50 HHAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1c[nH]c3ccccc13)CC2 14744574 RCHTZKFTZXEARU-UHFFFAOYSA-N 402.498 3.597 0 50 HHAA Cc1cccc(C)c1OCc1cc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)no1 15064527 ONVRURBOSNHVSI-JOCHJYFZSA-N 405.498 3.999 0 50 HHAA Cc1nn(C)cc1-c1csc(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)n1 20602705 NPQZWQJBJBFTHQ-HNNXBMFYSA-N 419.869 3.776 0 50 HHAA COc1cc2cc(CN3CCNC(=O)C3)c(-c3cccc(Cl)c3)nc2cc1OC 72425774 FLQHFZZMBABPCV-UHFFFAOYSA-N 411.889 3.504 0 50 HHAA CC(C)Oc1cccc2c1c(NC(=O)CCn1cnnc1)nn2-c1ccc(F)cc1 72428848 YIKMFJRTIXBHFV-UHFFFAOYSA-N 408.437 3.572 0 50 HHAA COCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc(Br)c(C)c1 225400343 BFYPPGXGGAFCGK-UHFFFAOYSA-N 421.700 3.589 0 50 HHAA Cc1cc(C)cc(NC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1 230033158 PSGUXWGANGRDER-YCZSINBZSA-N 402.494 3.865 0 50 HHAA CC(C)Oc1ccccc1N1CCN([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 242263283 XXQSKZKSZFYNOW-CTNGQTDRSA-N 423.557 3.624 0 50 HHAA O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@@H](C(=O)O)c1ccccc1 486297026 YDWXDZGTESMQHQ-FGZHOGPDSA-N 416.477 3.532 0 50 HHAA CC(=O)c1ccc(Cl)c(S(=O)(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)c1 761907216 OEPNYQZAUKYOGO-YLJYHZDGSA-N 418.946 3.848 0 50 HHAA CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)N[C@@H](CO)c1ccc(F)cc1)C2 771125076 GCLQJNVYPUKSRH-FHWLQOOXSA-N 406.498 3.544 0 50 HHAA O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888104848 PCDDJAHTPVKFLV-LZNRXBQRSA-N 421.928 3.929 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(C(=O)[C@@H]2C[C@H]3CCCCN3C2)C1 952894632 SPOYUDULDICBRL-DYESRHJHSA-N 410.537 3.797 0 50 HHAA COc1cccc2c1C1(CCN(c3ncccc3C(=O)N3CCCCC3)CC1)OCC2 1704326248 SEPFYPAVQFHUGS-UHFFFAOYSA-N 421.541 3.785 0 50 HHAA COCCC(=O)N1C[C@H]2CN(CCSC(C)C)C[C@@]2(CCc2ccccc2)C1 1772710885 UBVDRLIXYJJMBR-GGAORHGYSA-N 404.620 3.558 0 50 HHAA CCCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)Cc2c[nH]c3cnccc23)C1 1875329848 GLLGETDOULUNNQ-UUOWRZLLSA-N 410.562 3.677 0 50 HHAA CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccccc3Br)N2C1=O 2463400 VICSZUHJKJVOTO-GXTWGEPZSA-N 409.305 3.661 0 50 HHAA CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(-n4ccnc4)cc3)nc12 2786120 SBSVCPUICWTBOQ-UHFFFAOYSA-N 401.348 3.778 0 50 HHAA CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1cccc(Cl)c1Cl 2815741 HBFHVXJSXZCIHN-UHFFFAOYSA-N 405.347 3.766 0 50 HHAA CC[C@H](Sc1nnc(-c2ccncc2)n1CC(C)C)C(=O)Nc1nnc(C)s1 9304489 GPOYKPXTQPHDFU-AWEZNQCLSA-N 417.564 3.665 0 50 HHAA Cc1c[nH]c(CN2CCC(Oc3ccc(Cl)cc3C(=O)NC(C)(C)C)CC2)n1 11936658 BNVOUEZSHBCQCO-UHFFFAOYSA-N 404.942 3.943 0 50 HHAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)cc1 12308889 FFAPXEHRGMKPBX-LJQANCHMSA-N 405.498 3.509 0 50 HHAA COc1c(Cl)cc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1Cl 12379439 WLDPKHBHQZBAPQ-UHFFFAOYSA-N 422.312 3.923 0 50 HHAA COC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 12417865 QOQWOEKMXOENCO-MYNGYRLFSA-N 409.441 3.870 0 50 HHAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cc(C)nn3C)C2)cc1Cl 12432450 HQFHIVAJVDMGOU-HNNXBMFYSA-N 418.925 3.662 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)N[C@H](C)Cc2ccsc2)c1=O 12453691 IVOOOUOXSQYILB-MRXNPFEDSA-N 417.575 3.580 0 50 HHAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cc(C(C)C)nn2C)C1 14962191 DDQMEILYBVEZBR-LJQANCHMSA-N 412.578 3.579 0 50 HHAA O=C(c1ccco1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 14971933 VOOUQPCFSUTYQC-QHCPKHFHSA-N 408.542 3.780 0 50 HHAA Cc1ccc(CNC(=O)c2cn(C(C)C)cc(C(=O)N(C)CC(C)C)c2=O)cc1F 15070224 RGOGAVWSZMURFP-UHFFFAOYSA-N 415.509 3.535 0 50 HHAA NC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCc1ccccc1-2 17093986 WSSQOBWVDYQCNW-SMELUJQZSA-N 424.522 3.688 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Br 19537325 SGUYJYIVALSYSC-UHFFFAOYSA-N 419.319 3.504 0 50 HHAA CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1C 20608088 YJQXEIIXIVOTQQ-UHFFFAOYSA-N 413.543 3.654 0 50 HHAA CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 55226540 BUMLRLBDPOEDHE-HXUWFJFHSA-N 413.905 3.609 0 50 HHAA COc1ccc(CNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 95276448 CPORXCVYGUQGHC-UHFFFAOYSA-N 415.537 3.947 0 50 HHAA CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 227309172 DNLKODGNLMHUES-PLMTUMEDSA-N 401.869 3.899 0 50 HHAA CN(C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1cccc(C(F)(F)F)c1 238923876 PWWCFNUGDXYVCG-INIZCTEOSA-N 404.388 3.845 0 50 HHAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)COc2ccccc2Cc2ccccc2)c1 328589385 BMAUOFPPFHCYTB-LADGPHEKSA-N 417.505 3.999 0 50 HHAA Cc1cc(=O)n2nc(CN3CCC[C@H]3c3ccc(Br)c(F)c3)sc2n1 430222650 WOZYEDMDXFXVPO-AWEZNQCLSA-N 423.311 3.698 0 50 HHAA O=C([C@H]1SCCc2ccccc21)N1CCC(c2nc(-c3ccccn3)no2)CC1 463543436 KEPWQJOHOVCNPU-IBGZPJMESA-N 406.511 3.868 0 50 HHAA Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2sc(C(C)(C)C)nc2C)cc1 497846136 GDYLBSYOKNRMCK-SFHVURJKSA-N 401.576 3.861 0 50 HHAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1nncn1C1CCCCC1)O2 825116714 KNCGPXNCOXSEEU-QHCPKHFHSA-N 412.534 3.814 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)NCC[C@H]2CC[C@@H](N)C2)C1 952891801 CICOXSGHYDCVRT-SJLPKXTDSA-N 413.541 3.623 0 50 HHAA Cc1noc2nc3c(c(C(=O)N4CCC[C@H](c5nc(CC(C)C)no5)C4)c12)CCC3 952967223 GYWSMWYBMNHCRW-AWEZNQCLSA-N 409.490 3.621 0 50 HHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3ccccc3OCC(=O)N3CCCCC3)C[C@H]2C1 1704299884 MXMWRKPQVNSOLF-MESAYYPLSA-N 413.606 3.629 0 50 HHAA O=S(=O)(Nc1ccc(OCc2ccccn2)c(F)c1)c1ccc(Cl)nc1F 1775997982 XQWZMHATZJZYOF-UHFFFAOYSA-N 411.817 3.788 0 50 HHAA O[C@@]1(Cn2ccnc2-c2ccccc2OCc2c(F)cccc2Cl)CCNC1 1857709339 RULDOIGCATWASC-NRFANRHFSA-N 401.869 3.646 0 50 HHAA CCOC(=O)c1c(NC(=O)CNC(C)(C)c2cccs2)sc(C(=O)OC)c1C 1875259698 MHRGUFKAHNROGZ-UHFFFAOYSA-N 424.544 3.545 0 50 HHAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1)[C@H](O)c1c(F)cccc1F 1875262774 PDHXGJMBRHMCGV-LZVRBXCZSA-N 409.795 3.999 0 50 HHAA C[C@@H](Cc1nccn1C)NC(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 1875333622 DYEHZWCOBRCDQS-HNNXBMFYSA-N 401.511 3.540 0 50 HHAA C[C@H](C(=O)NCc1ccc(CNC(=O)c2cccc3[nH]ncc23)cc1)c1ccco1 1875349724 KJIPHEKKRUFIMH-HNNXBMFYSA-N 402.454 3.506 0 50 HHAA CCOC(=O)c1c(NC(=O)Cc2c(Cl)cccc2Cl)sc(C(N)=O)c1C 648295 CCCXGIVHGQKJLD-UHFFFAOYSA-N 415.298 3.820 0 50 HHAA CCOc1ccc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3O)n2C)cc1 1125122 HKKIIWNCTMLNBA-UHFFFAOYSA-N 418.906 3.971 0 50 HHAA O=C(NCCc1ccccc1)C1CCN(C2CCN(Cc3ccccc3)CC2)CC1 4261628 IUFOZEOZHJOXCO-UHFFFAOYSA-N 405.586 3.722 0 50 HHAA CC(C)CNCc1cc(Br)ccc1OCC(=O)NCc1ccccc1 4821056 MEEQKVYEGZXUGP-UHFFFAOYSA-N 405.336 3.890 0 50 HHAA CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cc(C)n(CCOC)c1C 5430191 LQLUOPQVMVPLNJ-UHFFFAOYSA-N 412.559 3.929 0 50 HHAA COc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2[C@H]1CCOC(C)(C)C1 5625271 UEPNIWSBMBAOKJ-YVEFUNNKSA-N 403.504 3.502 0 50 HHAA CCc1ccccc1NC(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697979 KUNAZBXWDFJDAJ-UHFFFAOYSA-N 403.490 3.532 0 50 HHAA CN(C)c1ccccc1C(=O)N1CCC[C@@H]2CN(C(=O)c3ccc(F)cc3)CC[C@@H]21 11880504 WFRXCLLVYBOVLJ-NQIIRXRSSA-N 409.505 3.659 0 50 HHAA CCc1ccc(CN(C)Cc2ccc(OC)c(OC[C@H](O)CN(C)C(C)C)c2)cc1 12456141 HWWOGCYYHYHAKK-HSZRJFAPSA-N 414.590 3.970 0 50 HHAA COc1cccc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)c1 12592873 IYWBMJILHBWYLK-UHFFFAOYSA-N 400.526 3.963 0 50 HHAA CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)CC1 13595030 VVKYEOQFDTVCTI-HXUWFJFHSA-N 421.541 3.655 0 50 HHAA CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccoc1)CC2 14752049 OCUPDQPFYTVUBB-UHFFFAOYSA-N 421.541 3.702 0 50 HHAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)NC3CCCC3)c2C2CC2)n1 14987634 CXXBYIDTSNAIAZ-UHFFFAOYSA-N 403.486 3.888 0 50 HHAA COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)CCc2cnn(C)c2)c1 20914975 ZEGHSIWIFGLNFH-UHFFFAOYSA-N 401.514 3.956 0 50 HHAA Cc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)cc1 67622108 QYASBIDFUNTFOW-UHFFFAOYSA-N 408.477 3.713 0 50 HHAA Cc1cc(C)nc(N2CCC(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)CC2)n1 170499807 YHIPZHVDXYJZSD-UHFFFAOYSA-N 418.545 3.592 0 50 HHAA CC(C)[C@@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C(C)C 252491495 LNLPFUOCOYKBID-HXUWFJFHSA-N 421.480 3.859 0 50 HHAA COc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)CC2=O)cc1 409415139 UYHSWGJPPXJSAK-QVKFZJNVSA-N 403.482 3.723 0 50 HHAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 735802193 ZLTCZHPXJPNYDL-RAOAOTKRSA-N 419.525 3.786 0 50 HHAA COc1ccc(CCN(Cc2ccccc2F)S(=O)(=O)N2CCCCC2)cc1 824664740 KBTHKBFCLYLSEV-UHFFFAOYSA-N 406.523 3.610 0 50 HHAA COc1cccc(C)c1C(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1 824792649 OVTXESRHBNYNFD-UHFFFAOYSA-N 400.906 3.826 0 50 HHAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(Cl)cc1F 1191888365 UKVDUPAKTZXPCX-KRWDZBQOSA-N 410.942 3.763 0 50 HHAA COc1cc(-c2onc(N(C)C)c2C(=O)NCc2cc(CC(C)C)no2)ccc1F 1704303199 FHNZDXKBMHILRX-UHFFFAOYSA-N 416.453 3.672 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)C1 1875371718 JZRDFUJLWWVJKI-CZUORRHYSA-N 423.376 3.869 0 50 HHAA CCOC(=O)N=c1[nH]nc(SCc2ccc(OCc3ccncc3)cc2)s1 2325721421 MDNNJAIIBKELKF-UHFFFAOYSA-N 402.501 3.795 0 50 HHAA O=C1C[C@@H](CN=c2c(Br)c[nH]cc2Br)c2ccccc2N1 2325733796 MUQBDCOBQOILKX-VIFPVBQESA-N 411.097 3.566 0 50 HHAA C=CC(=O)NCc1ccc(C(=O)N2CCCc3sc(Br)cc3C2)cc1 2325888927 PUCJHBDFGVFUKN-UHFFFAOYSA-N 419.344 3.901 0 50 HHAA O=C(O)c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)c1 792987 HWYRCKMZKKYIKE-UHFFFAOYSA-N 414.414 3.577 0 50 HHAA CCOc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 854605 MLZGACGAJBDXIV-UHFFFAOYSA-N 416.421 3.509 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2cccc(Cl)c2)cc1 1169789 PWNLRZYNEZNBFK-UHFFFAOYSA-N 418.902 3.753 0 50 HHAA COc1ccc(-c2noc(CCC(=O)Nc3cc(OC)c(Cl)cc3OC)n2)cc1 4785329 BCYNPWPCCMOOFV-UHFFFAOYSA-N 417.849 3.987 0 50 HHAA CCOC(=O)C1(CCOC)CCN(Cc2ccc3cc(OCC)ccc3n2)CC1 11667968 CHXZKZDVOADWQV-UHFFFAOYSA-N 400.519 3.815 0 50 HHAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4cnsn4)C3)cc2)c1 11753758 LVTZNUUIEKSDBI-KRWDZBQOSA-N 422.510 3.705 0 50 HHAA CC(=O)c1ccc(-c2nnc(CCC(=O)N(CC3CCC3)C[C@@H]3CCCO3)o2)s1 12056702 OZFSYNDHXSKKMY-INIZCTEOSA-N 417.531 3.741 0 50 HHAA CC[C@@H]1c2cccn2CCN1C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 12299631 FEXPGOVFWVAGLU-QGZVFWFLSA-N 403.408 3.754 0 50 HHAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NCc2cnc(N3CCOCC3)s2)cc1C 12589812 OHHNYVVZHQDBPB-NRFANRHFSA-N 423.586 3.949 0 50 HHAA COc1ccc(CNC(C2CC2)C2CC2)c(OC[C@H](O)CN2CCCCCCC2)c1 12716448 VFGDEGLZFGKCMP-JOCHJYFZSA-N 416.606 3.979 0 50 HHAA Cc1ccoc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14538084 BIEOFGJPQQSHBL-NRFANRHFSA-N 410.514 3.791 0 50 HHAA CC[C@@H]1CCCCN1C(=O)c1cn(CC(C)C)cc(C(=O)N2CCCCCC2)c1=O 14996317 BMRBUXDWAUNVCU-LJQANCHMSA-N 415.578 3.925 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)cc2)c1 17987871 KNVNFLGDHMPQIF-RTBURBONSA-N 420.465 3.802 0 50 HHAA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(SC)cc2)CN1Cc1ccccc1Cl 32576246 BRTAIAWAOFNFNP-RXVVDRJESA-N 418.006 3.931 0 50 HHAA CSc1ccc(CC(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 55107738 PCDBQGLUVKCZRG-JOCHJYFZSA-N 409.599 3.764 0 50 HHAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)CC1 55134183 RTFHRWIVSMUJEU-GOSISDBHSA-N 413.949 3.775 0 50 HHAA O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)Nc1ncc(Cc2ccccc2)s1 170627472 RJLSENBJXGLBQE-SFHVURJKSA-N 410.499 3.640 0 50 HHAA CCc1cnc(NC(=O)NCc2noc(-c3cccc(Br)c3)n2)s1 225524408 FZWBCHPKHVKPEN-UHFFFAOYSA-N 408.281 3.840 0 50 HHAA Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(Cl)cc12 238881758 BFYMPCVNAMZPLB-MGPQQGTHSA-N 421.877 3.529 0 50 HHAA biogenic COc1ccc([C@H](O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1OC 263617161 MJJLXSSPCOMWQI-OAQYLSRUSA-N 419.481 3.531 0 50 HHAA Cc1nc(CN2CCC(CNC(=O)c3ccc(C(F)(F)F)cc3O)CC2)oc1C 436751376 LFGWDMGUCHTALI-UHFFFAOYSA-N 411.424 3.658 0 50 HHAA CCCCCOc1ccc(C(=O)CCC(=O)N2CCC3(CC2)C[C@H]3C(=O)O)cc1 485462466 HWKHTAOSKWLEEK-IBGZPJMESA-N 401.503 3.932 0 50 HHAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)n1 825264418 GQVDTVSIKHJEOX-IBGZPJMESA-N 424.442 3.829 0 50 HHAA CCOc1cc(CNCCCNc2ccc(C)cn2)ccc1OCCn1ccnc1 1506395786 GYQZLIILAKWQRP-UHFFFAOYSA-N 409.534 3.656 0 50 HHAA O=C(c1ccc2cccc(F)c2n1)N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 1615734063 CCGUHMOWJSSTBG-JTSKRJEESA-N 401.441 3.598 0 50 HHAA Cn1cc(Cl)c(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 1704359589 UIJZEDMMUGRRDH-JOCHJYFZSA-N 407.905 3.651 0 50 HHAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H]([C@@H]2C[C@H](N)CCO2)C1 1775988869 NIULHAKXKZALOP-JQHSSLGASA-N 403.523 3.616 0 50 HHAA Cc1nc2c(c(=NCc3ccccc3)[nH]1)CCC21CCN(C[C@@H]2CCCOC2)CC1 1857703646 UYUKTPPFBGJKDG-NRFANRHFSA-N 406.574 3.525 0 50 HHAA COc1ccc(-c2nc(CNC(=O)Cc3cn(C)c4ccccc34)c(C)o2)cc1O 1857705641 OXTIBMWMAVZZOX-UHFFFAOYSA-N 405.454 3.715 0 50 HHAA O=C(c1ccc2c(c1)ncn2Cc1ccccc1)N1CCN(c2cccc(O)c2)CC1 1875264046 JTOOFNNXVVFTSB-UHFFFAOYSA-N 412.493 3.753 0 50 HHAA COc1cccc([C@H](O)CN(Cc2ccccc2)C[C@@H](O)c2cccc(OC)c2)c1 2325742838 YDTNNOUWLBZDKR-JWQCQUIFSA-N 407.510 3.973 0 50 HHAA N[C@H](CCc1c[nH]nc1C(F)(F)F)C(=O)NC1(c2ccc(Cl)cc2)CCC1 2325829665 PAHGMNIKUFHNEA-CQSZACIVSA-N 400.832 3.537 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2C(=O)O)C1 2325852371 CGSSPNJVBPVJOE-SECBINFHSA-N 401.410 3.815 0 50 HHAA Cc1nc2cc(NC(=O)C[C@H](CN)c3ccc(Br)s3)ccc2n1C 2325861694 YDJOFLJUFIEZPV-LLVKDONJSA-N 407.337 3.777 0 50 HHAA COc1cccc(CN2CCC[C@]23CCCN(CCc2ccccc2)C3=O)c1OC 2356148741 PSDOBHNEJABPAW-VWLOTQADSA-N 408.542 3.904 0 50 HHAA Cc1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)cc1 937606 BIUKMCLWGRTETO-UHFFFAOYSA-N 401.513 3.642 0 50 HHAA O=C(NCc1ccccn1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 1056888 WMCUCUKLMYKNEP-UHFFFAOYSA-N 403.389 3.802 0 50 HHAA COc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1Cl 1060443 RGHNALYLQZFGQU-CQSZACIVSA-N 410.923 3.759 0 50 HHAA CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1cc(C(F)(F)F)ccc1Cl 1107027 IYPNIKKJMMNVHN-UHFFFAOYSA-N 412.861 3.574 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 1174786 MXSSWXLRVMEHSX-UHFFFAOYSA-N 418.902 3.907 0 50 HHAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 2765924 RJTBEHDMKQEGKJ-RTWAWAEBSA-N 401.466 3.823 0 50 HHAA COc1ccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)cc1Cl 2972652 WWTSBKBNYFZHSG-UHFFFAOYSA-N 406.685 3.921 0 50 HHAA COc1ccc(OCc2nc3c4c(C)c(C)n(-c5cccnc5)c4ncn3n2)cc1 6719385 PKLUIWVIIRDGJU-UHFFFAOYSA-N 400.442 3.668 0 50 HHAA O=C(CCn1cc(Br)cn1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 6828572 GDHZFDGZZHXVJP-UHFFFAOYSA-N 418.339 3.796 0 50 HHAA Cc1ccccc1OCc1nnc(SCc2cc(=O)c3cc(F)ccc3[nH]2)n1C 8619631 CUZOVWLJHZDIGW-UHFFFAOYSA-N 410.474 3.975 0 50 HHAA Cc1nc(N2CCC[C@@H]2C(=O)N(C)Cc2nc3ccccc3[nH]2)nc2ccc(F)cc12 11789507 WLNHWXRWKUUGKF-HXUWFJFHSA-N 418.476 3.581 0 50 HHAA Cc1cccnc1C[C@H](C)NC(=O)c1cc(COc2cccc3cnccc23)on1 11821848 HZYRFTVNBBXKLU-INIZCTEOSA-N 402.454 3.866 0 50 HHAA Cc1cc(C)n(CCN2C(=O)CC[C@@H]2CCNCc2cccc(C(F)(F)F)c2)n1 11871303 FSFPDBUAMVIYPK-LJQANCHMSA-N 408.468 3.690 0 50 HHAA COc1cccc(-c2cc(CC3(O)CCN(Cc4cc(CC(C)C)[nH]n4)CC3)on2)c1 12305370 QOFFCGWZSDFQLH-UHFFFAOYSA-N 424.545 3.841 0 50 HHAA Cn1c(=O)n(C)c2cc(CNC(=O)c3ccc4nc(C5CCCCC5)oc4c3)ccc21 12373713 JOBTYSISPUHAJC-UHFFFAOYSA-N 418.497 3.996 0 50 HHAA O=C(c1cc2c(nc1Cl)CCC2)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 12448241 MKLHODVVDIOLAX-INIZCTEOSA-N 413.905 3.712 0 50 HHAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)Cc4csc(C)n4)C3)C2)c1 12464515 NOPYWVSREOIVNE-QFIPXVFZSA-N 417.550 3.656 0 50 HHAA Cc1nn(C)cc1CN(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccco2)CC1 15001259 PCYFJADTPSVWBV-QHCPKHFHSA-N 420.557 3.917 0 50 HHAA O=C(NC1CC1)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCCC2 17090758 ODVHRKNQCBTSEO-BRXCMPCDSA-N 416.543 3.595 0 50 HHAA Cc1cc(NC(=O)Cn2nc(C)c(-c3ccc(F)cc3)c2C)n(-c2ccccn2)n1 48284586 LGAXKZUUBPRSNM-UHFFFAOYSA-N 404.449 3.834 0 50 HHAA COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1C 55054534 NWXPHGIVOQGAHE-HXUWFJFHSA-N 411.521 3.570 0 50 HHAA COCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 82157115 NNTZNZDLKVOKFE-QFIPXVFZSA-N 414.505 3.787 0 50 HHAA Cc1nc(C)c(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)s1 95506291 XFLXYQPOLUFEAP-KFKAGJAMSA-N 403.498 3.741 0 50 HHAA COc1cccc(Cc2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)c1 169769213 ICJDUHLWPIMUPB-GOSISDBHSA-N 423.860 3.852 0 50 HHAA O=S1(=O)CC[C@]2(C[C@@H](NCc3ccc(Oc4cc(F)cc(F)c4)cc3)CCO2)C1 170592039 HUVCSEQOPXJLRC-RXVVDRJESA-N 423.481 3.583 0 50 HHAA Cc1nc(N2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)c2ccsc2n1 1772711566 VJCGZJDWGZNIDR-OAHLLOKOSA-N 412.515 3.541 0 50 HHAA O=C(NCCC1=CCCCC1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 1775953537 IBZQRIQIPQJPFA-MXVIHJGJSA-N 404.576 3.778 0 50 HHAA COc1cc2c3c(c1)[C@@]1(CN(C)C[C@@H]1C(=O)c1ccccc1)C(=O)N3C(C)(C)C=C2C 1857526112 MPUCDMGMQBYKQU-QFQXNSOFSA-N 416.521 3.920 0 50 HHAA CCC(=O)N[C@H](C(=O)N[C@@H](CC)[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 1875263103 KRNWTMAZEQJLTH-IHPCNDPISA-N 422.447 3.901 0 50 HHAA COc1ncc(S(=O)(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)s1 2325820266 KSPOYIPSLUJXNU-UHFFFAOYSA-N 407.344 3.902 0 50 HHAA O=C(c1c(Br)nc2n1CCC2)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822703 JSWJQJWKZBYFPT-UHFFFAOYSA-N 424.726 3.929 0 50 HHAA CCCCc1oc2ccccc2c1C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C 2325863083 UTCAXZYGBZDVHZ-SFHVURJKSA-N 401.551 3.598 0 50 HHAA CC(C)c1ccc(OCC(=O)NS(=O)(=O)c2csc(-c3ccccc3)n2)cc1 2325866117 AIDLQWRRRJUSOT-UHFFFAOYSA-N 416.524 3.817 0 50 HHAA COc1ccccc1CCC(=O)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356169789 ZYNCRPUWDJMQOO-VWLOTQADSA-N 406.526 3.812 0 50 HHAA Cc1cc(NC(=O)c2cccc3ccccc23)cc(C)c1OCC(=O)N1CCOCC1 784137 IGCZXEMIGXSVSO-UHFFFAOYSA-N 418.493 3.947 0 50 HHAA COc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1 1187244 LCFDIUXOOKXNMG-UHFFFAOYSA-N 424.522 3.549 0 50 HHAA O=C(CSc1nnnn1-c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 2868789 RNCGEIAOVGLRMU-UHFFFAOYSA-N 412.475 3.656 0 50 HHAA CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccco3)C2)c1 4036096 ABDLXQVETCHKIO-INIZCTEOSA-N 415.496 3.704 0 50 HHAA CCn1c(Sc2c(C)c3cc4c(cc3[nH]c2=O)OCO4)nnc1-c1ccccc1 4148838 KLEVHXKQWMPNBP-UHFFFAOYSA-N 406.467 3.995 0 50 HHAA COc1cc(OC)cc(C(=O)NC[C@@H]2Cc3cccc(-c4nc(C)cnc4C)c3O2)c1 11880669 PZRPZPYEGBDARO-FQEVSTJZSA-N 419.481 3.511 0 50 HHAA COc1cc(CNC2CCCCCCC2)ccc1OC[C@H](O)CN1CCSCC1 12195324 UALKPXRSJWMGOV-OAQYLSRUSA-N 422.635 3.686 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1 12470948 JDSOBLKXCUNPRG-UHFFFAOYSA-N 402.922 3.760 0 50 HHAA Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)NC3CCCCC3)ccc21 13115536 WLHNSRCYMHFXOR-UHFFFAOYSA-N 409.490 3.593 0 50 HHAA OC1CCN([C@@H]2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2O)CC1 15067114 OZSVQULOVJIIKH-DHIUTWEWSA-N 416.949 3.524 0 50 HHAA CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)NC2CC2)C1 17087456 LWFKQWUVZLKPQW-LBPRGKRZSA-N 406.548 3.985 0 50 HHAA COc1cc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1 20543192 YEAZZPVEQHREAZ-QFIPXVFZSA-N 413.537 3.630 0 50 HHAA COc1ccccc1-n1c(S)nc(=O)c2c(C(=O)O)cc(-c3cccs3)nc21 20615430 NLLZCVKUKNMHAO-UHFFFAOYSA-N 411.464 3.505 0 50 HHAA COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O 45285637 CBVDPVDNACOCTI-CYBMUJFWSA-N 414.840 3.851 0 50 HHAA COc1ccccc1Cc1nc(-c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)no1 169781129 WGDHRYSEPTUFIU-LJQANCHMSA-N 403.442 3.507 0 50 HHAA Cc1cc2c(=O)[nH]c([C@H]3CC(=O)N(c4ccc(Br)cc4)C3)nc2s1 170596416 KLBMDKVKBLAZIP-JTQLQIEISA-N 404.289 3.576 0 50 HHAA CCN1CC[C@H](N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@@H](C)C1 229848056 JXZWVEUXGSBXNL-ICSRJNTNSA-N 411.594 3.770 0 50 HHAA Cc1cccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 239338626 KVOJDABPDJXEKZ-BECHRVIWSA-N 412.489 3.652 0 50 HHAA CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C(C)C)cc1 253486858 AGLNKEZIHIEECV-JJEOQYAHSA-N 407.558 3.994 0 50 HHAA O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1ccc(F)cc1Cl 263615378 CBWVQSWNWXKRPE-UHFFFAOYSA-N 401.800 3.635 0 50 HHAA Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@H]1CCCN2CCCC[C@H]12 409413304 JTLPAQMATCDEIG-YLJYHZDGSA-N 400.954 3.962 0 50 HHAA CC[C@@H](C)n1nc(NC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc1C 480358034 RSJSCCQEBYTCSX-OAHLLOKOSA-N 419.489 3.664 0 50 HHAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 735802190 ZLTCZHPXJPNYDL-MLFRIMFESA-N 419.525 3.786 0 50 HHAA COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)cc1 888103548 MIOSFPFSZMLAKQ-ZQRMPTRQSA-N 409.574 3.842 0 50 HHAA CON(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 1447529363 FRNYKXZMTXVBLC-MRXNPFEDSA-N 417.303 3.701 0 50 HHAA Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H]2CNC[C@]2(CCc2ccccc2)C1 1772703374 MUCUDGMQKUSVAV-BKMJKUGQSA-N 415.537 3.873 0 50 HHAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cnn(Cc3ccccc3)c1)CC2 1857666828 OLYMKGJAPRBCES-UHFFFAOYSA-N 411.509 3.573 0 50 HHAA CCOC[C@H](NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875345279 UJCPMWDAVNTVBN-INIZCTEOSA-N 401.394 3.554 0 50 HHAA O=C(Nc1cccc(N2CCOCC2=O)c1)[C@@H]1C[C@H]1c1ccc(Br)cc1 2325819767 PMEDWOCQSIGOJK-ZWKOTPCHSA-N 415.287 3.555 0 50 HHAA COc1cc2c(cc1OC)[C@@H](c1cc(Br)c(OC)c(OC)c1)CC(=O)N2 816199 AMYVWAHDAZZPTB-LLVKDONJSA-N 422.275 3.958 0 50 HHAA O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl 837444 GKCBTYCVBJLUOP-UHFFFAOYSA-N 414.314 3.815 0 50 HHAA CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 949715 PPTOXCZVXFRHLM-MRXNPFEDSA-N 401.257 3.908 0 50 HHAA COC(=O)C(C)(C)[C@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)c1ccco1 2376603 NQARFGOSJHMIAE-GJZGRUSLSA-N 421.243 3.743 0 50 HHAA CCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 4704868 BZQZGKMMNXKNPX-UHFFFAOYSA-N 412.486 3.593 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 4809379 UTIRBVIQXCLXKO-UHFFFAOYSA-N 410.451 3.777 0 50 HHAA Cc1n[nH]c(O)c1[C@H](c1ccc(OC(=O)c2ccc(F)cc2)cc1)c1c(O)n[nH]c1C 8384212 IXQCHUSAKDZYKV-UHFFFAOYSA-N 422.416 3.699 0 50 HHAA COc1cccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)c1OC 11815586 HXTSTXIRLUJHFJ-GOSISDBHSA-N 414.521 3.870 0 50 HHAA COC[C@@H](C)NC(=O)c1cc(NC(=O)C(C)C)cc2nc(C)n(Cc3ccccc3)c12 11911676 OEXOLAHWKYLOOL-MRXNPFEDSA-N 422.529 3.752 0 50 HHAA CCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)s1 12112309 JXAVNPTVGYHRNL-OAHLLOKOSA-N 423.556 3.611 0 50 HHAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C[C@@H](C)Cc1ccc2c(c1)OCO2 12438409 UWEPOVFTSBYRPV-FQEVSTJZSA-N 415.622 3.722 0 50 HHAA COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)[C@H](OC)c3ccccc3)C2)c1 15004151 OZHXSPSIXPSHET-YMPZKCBVSA-N 422.525 3.536 0 50 HHAA Cc1nc2sccn2c1CN1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 15065414 DRYXOFIRMYEDQU-KRWDZBQOSA-N 420.542 3.741 0 50 HHAA O=C(c1cccc(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)c1)N1CCCC1 19741012 DCTVZHGRWPFMFJ-UHFFFAOYSA-N 404.514 3.842 0 50 HHAA Cc1nc(NCc2cccc(Cl)c2)sc1-c1ccn(CCN2CCOCC2)n1 20166108 KEHSOSWDFXFFOB-UHFFFAOYSA-N 417.966 3.913 0 50 HHAA NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F 36377992 FYSRKRZDBHOFAY-UHFFFAOYSA-N 404.323 3.621 0 50 HHAA investigational Cc1cc(C)cc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c1 65362447 QZQNBMBOPVYLRR-UHFFFAOYSA-N 419.533 3.559 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(OCC(=O)O)c(Cl)c3)cc2)n1 170592133 CJAPOAKRYZGSMO-UHFFFAOYSA-N 413.861 3.917 0 50 HHAA COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1=O 170629062 ZTYFFCODLHIIIU-PVXIVEMSSA-N 420.843 3.652 0 50 HHAA COc1ccccc1C1(F)CCN(C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)CC1 253426530 HIEVBUFBZFNTCN-OPYAIIAOSA-N 406.542 3.616 0 50 HHAA O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(Cl)nc(Cl)c1 746638294 MSOWMJVAJCRLGX-UHFFFAOYSA-N 406.313 3.600 0 50 HHAA Cc1cc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)n([C@@H](C)C2CC2)n1 1506397138 NZYBUTVBICEYSX-KRWDZBQOSA-N 410.518 3.806 0 50 HHAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCc2ccc(C(=O)N(C)C)cc2)c1C 1506429348 TXLUCKRXVGNQEU-UHFFFAOYSA-N 402.560 3.781 0 50 HHAA COc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)c(C)c1 1857722878 RGTPUHQMZALHCB-BBTUJRGHSA-N 400.906 3.601 0 50 HHAA C[C@]1(c2cccs2)C[C@@H]1CNC(=O)NCc1cc2c(cc1OC(F)F)OCO2 2325737785 WYUXOHGICPVFTJ-BLVKFPJESA-N 410.442 3.855 0 50 HHAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc1OC 832335 OKSUDTCZTHXAIJ-HXUWFJFHSA-N 402.491 3.988 0 50 HHAA Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 1164566 NTKXNYYSVSOKLW-UHFFFAOYSA-N 406.390 3.516 0 50 HHAA O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Br)cc1C(=O)O 2830842 QULKIENXDUQOBF-RMKNXTFCSA-N 405.273 3.674 0 50 HHAA Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccnc2)s1 2856284 LYBMBOYJTDIWSC-HNNXBMFYSA-N 410.842 3.751 0 50 HHAA Cc1csc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2C)n1 2859294 IATCGNHLKZPVOL-UHFFFAOYSA-N 403.533 3.507 0 50 HHAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1c(F)cccc1F 2871255 AEVQUBRBGUKKMI-UHFFFAOYSA-N 420.412 3.938 0 50 HHAA Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 4978193 GRXCPVQKIXWWHG-UHFFFAOYSA-N 400.422 3.548 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)CCn2cncn2)C1 11840631 XPHDCABCOCELDW-IBGZPJMESA-N 404.470 3.582 0 50 HHAA CCCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c(C)n1 11874150 XMYPAZHFDXHTBW-UHFFFAOYSA-N 410.562 3.881 0 50 HHAA Cc1ccc(OCCN(C)C(=O)c2cn(Cc3ccccc3C(F)(F)F)nn2)cc1 12297542 IXMZWUOXJHKDHE-UHFFFAOYSA-N 418.419 3.805 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CCC4(C)CC4)C3)C2=O)c1 12458306 PRIJARXHDVXTIX-QHCPKHFHSA-N 402.510 3.756 0 50 HHAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C/C=C/c2ccc(OC)cc2)CC1 12585309 QRQHFTHLYMULII-FIYNHDKVSA-N 413.606 3.801 0 50 HHAA Cc1ccc(-c2cnnc(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)n2)o1 12745061 QRZLPHWJSKJFSW-UHFFFAOYSA-N 404.392 3.947 0 50 HHAA CC(=O)Nc1cccc(O[C@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)c1 22205046 ZRDUWDUMTHAYNS-HNNXBMFYSA-N 402.665 3.545 0 50 HHAA Cc1ccccc1[C@@H](CC(=O)N1CCC(O)(Cn2ccnc2)CC1)c1ccccc1 95496756 WFADZAUZTRCFMY-QHCPKHFHSA-N 403.526 3.767 0 50 HHAA COc1ccc(-c2cc(N3CCCN(C(=O)c4ccc(OC)cc4C)CC3)[nH]n2)cc1 169753164 HPKGCXZKPINXNG-UHFFFAOYSA-N 420.513 3.755 0 50 HHAA CSCC[C@H](C(=O)N1CCC[C@H]2CCCC[C@H]21)N1C(=O)c2ccccc2C1=O 229901907 QQTGLNBFIIIEEA-ATZDWAIDSA-N 400.544 3.586 0 50 HHAA O=C1[C@H]2[C@@H](c3ccncc3)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc(Cl)c1 230035778 PUFCLNNYRLZNST-XUVXKRRUSA-N 405.841 3.786 0 50 HHAA CCOC(=O)C1([C@@H](C)NCC(C)(C)SC)CCN(C(=O)OC(C)(C)C)CC1 241231272 KTLOIURAZNKMFX-OAHLLOKOSA-N 402.601 3.687 0 50 HHAA CC(=O)c1ccccc1OC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 245312364 UXDXBSPAQABXMO-VUEDXXQZSA-N 403.434 3.644 0 50 HHAA O=C1NC[C@H](NCc2ccccc2C(F)(F)F)n2nc(-c3ccc(F)cc3)cc21 263615098 ANKCWWYQRWOQFT-GOSISDBHSA-N 404.367 3.740 0 50 HHAA Cc1ccc(-c2cc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)n[nH]2)s1 472420955 PYERBLFXLKEROY-UHFFFAOYSA-N 410.480 3.966 0 50 HHAA Cc1ccc(Br)c(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 499687964 ZHICKQVFTBWYDM-HNNXBMFYSA-N 401.304 3.883 0 50 HHAA Cc1nc2ccc(S(=O)(=O)N3CCC([C@H](O)c4cccs4)CC3)cc2s1 952871908 GGADEUBISQBEQC-SFHVURJKSA-N 408.570 3.801 0 50 HHAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1c[nH]nc1C1CCCCC1 1704359612 VLQPXJQTGBBXHM-XMSQKQJNSA-N 404.514 3.993 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCC3)C2)cc1 1875370721 ATFDRDQWFCUULS-GOSISDBHSA-N 413.518 3.721 0 50 HHAA Cc1cc([C@@H]2CCCCN2C(=O)c2c(OCc3ccccc3)c(=O)ccn2C)no1 2356165510 BZJNSKUQMOVNAG-IBGZPJMESA-N 407.470 3.628 0 50 HHAA COc1ccc(C)cc1NC(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)n(C)n1 799426 YGTDEZXAFOSVPC-UHFFFAOYSA-N 408.458 3.559 0 50 HHAA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)oc1C 811756 NGYGMEYRETYGRI-IBGZPJMESA-N 421.449 3.540 0 50 HHAA COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCOCC2)cc1 851929 WMLJHLOJZQDJNH-XNWCZRBMSA-N 417.303 3.946 0 50 HHAA COc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)c(OC)c1OC 854780 OHLBSAPGLZCUBZ-UVTDQMKNSA-N 418.243 3.819 0 50 HHAA CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Br)cc2)CC1 1141181 YPFBFBLLTUOBPG-UHFFFAOYSA-N 416.319 3.760 0 50 HHAA COC[C@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)C1 11783058 FDTLDHWSBDHXFM-NBGIEHNGSA-N 408.542 3.696 0 50 HHAA O=C(Nc1cnn(-c2ccc(C(=O)N3CCc4ccccc4C3)cc2)c1)c1cccnc1 11882034 IFEQZAQRIWXVIR-UHFFFAOYSA-N 423.476 3.718 0 50 HHAA COc1ccc(CCNC(=O)CCc2nnc(CCCCc3ccccc3)o2)cc1 12024572 NNGKKJCQOVUYPG-UHFFFAOYSA-N 407.514 3.935 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3F)cc2CNCCOc2nonc2C)cc1 12203633 XSGQMQPZDRYQBC-UHFFFAOYSA-N 423.448 3.547 0 50 HHAA Cc1nc2cc(OCc3cc(C(=O)N[C@@H](C)c4cn(C)nc4C)no3)ccc2s1 12297902 JVBXUXJRWKIAAT-NSHDSACASA-N 411.487 3.705 0 50 HHAA Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1F 14746143 VUIPZFNOQVIUNB-FQEVSTJZSA-N 420.532 3.728 0 50 HHAA CCOC(=O)N1CCC(N2CCC(CCc3ccccc3)(C(=O)OCC)CC2)CC1 15071400 MTQPTCHHGIDPRQ-UHFFFAOYSA-N 416.562 3.885 0 50 HHAA COc1ccccc1NS(=O)(=O)c1cc(-c2n[nH]c(=O)c3ccccc23)ccc1C 18286225 FQEILCHYQFZFDF-UHFFFAOYSA-N 421.478 3.708 0 50 HHAA CC[C@H](C(=O)Nc1ccc(Cl)cn1)n1ccc(C(=O)Nc2ccc(Cl)cn2)n1 20617641 VLSMWLFMPUJLMI-CQSZACIVSA-N 419.272 3.822 0 50 HHAA O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(OC(F)(F)F)cc1 52537541 OIBOJOIHFYMGRL-UHFFFAOYSA-N 413.827 3.999 0 50 HHAA O=C(N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1ccccc1Br 169754174 SJSNCHBRZQWDKD-LBPRGKRZSA-N 417.332 3.909 0 50 HHAA COc1ccc(CN2CCCN(C(=O)c3nc(C)sc3Br)CC2)cc1 328592670 ZCFSDFSYKSFCKD-UHFFFAOYSA-N 424.364 3.571 0 50 HHAA Cc1c(N2CC[C@@H](OCCCc3ccccc3)C2)nn2c(C(F)(F)F)nnc2c1C 434948742 ZHIJJJQUZASUCC-QGZVFWFLSA-N 419.451 3.988 0 50 HHAA O=C(C1CCN(c2ccc3nncn3n2)CC1)N1C[C@H](c2ccccc2)c2ccccc21 436268445 UGLBVEZLEPBZIC-OAQYLSRUSA-N 424.508 3.519 0 50 HHAA CCOc1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1OCC 447185389 YABAEHKEVQPTRV-UHFFFAOYSA-N 404.513 3.922 0 50 HHAA Cc1ccnc(OC2CCN([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)c1 469763702 LGVPFJGPNGCWKN-OAQYLSRUSA-N 415.484 3.703 0 50 HHAA Cc1nc(-c2ccc(S(=O)(=O)NCCCn3ccnc3C(C)C)s2)cs1 670469696 ALYMFYIDYYIBMR-UHFFFAOYSA-N 410.590 3.869 0 50 HHAA c1ccc2c(-c3ncc(CN4CCC[C@H](CN5CCOCC5)C4)cn3)cccc2c1 827603755 SUFABRPYNLVGHL-HXUWFJFHSA-N 402.542 3.841 0 50 HHAA Cc1c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cccc1C(=O)Nc1nccs1 828320361 CAPFRHVOAKLDPM-HNNXBMFYSA-N 406.467 3.768 0 50 HHAA O=C(c1ccc2nc[nH]c2n1)N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952891636 BAHJCVSBBAHMIA-UHFFFAOYSA-N 402.433 3.574 0 50 HHAA COc1cccc(-c2cccc(C(=O)N3CCC[C@]4(CCc5c[nH]c(=N)nc54)C3)c2)c1 2356146682 PZBHIEOGDMMMEX-VWLOTQADSA-N 414.509 3.685 0 50 HHAA CCOc1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 824165 ZXMKOVRVDROIGJ-UHFFFAOYSA-N 416.421 3.509 0 50 HHAA COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1N1CCOCC1 1106836 BVOKMIYEMWBDIW-RMKNXTFCSA-N 417.303 3.946 0 50 HHAA COc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1Br 2812824 GPNFXCRQDNBVJE-UHFFFAOYSA-N 408.383 3.802 0 50 HHAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4cn5ccccc5n4)C3)C2)c1 11662066 BBWDJJLHELVSKY-DEOSSOPVSA-N 422.504 3.610 0 50 HHAA Cc1nnc2ccc(SCC(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C(C)C)nn12 11815514 YEUDDYSUMMBDHS-QFIPXVFZSA-N 420.542 3.788 0 50 HHAA COc1ccc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CCC2=O)cc1 12166383 OCLJSQVVZDAGAZ-UHFFFAOYSA-N 406.404 3.589 0 50 HHAA COc1cccc(CCNC(=O)[C@@H]2CC23CCN(Cc2ccccc2OC)CC3)c1 12181618 QVYGLKMBYHQMJZ-QFIPXVFZSA-N 408.542 3.665 0 50 HHAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)C3=CCCCC3)CC2)c1 12436360 SPIYUTYNKSDBGE-UHFFFAOYSA-N 419.525 3.882 0 50 HHAA Cn1cnnc1Sc1ccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)o1 12586595 UPNQFMNVZIGERK-QFIPXVFZSA-N 412.559 3.767 0 50 HHAA CN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cnsn1 15075189 WHZHYAIEOJYVFB-HNNXBMFYSA-N 412.481 3.584 0 50 HHAA CCOC(=O)c1c(NC(=O)CSc2nnc(C(C)C)n2C)sc2c1CCCC2 17093256 XQANPFABJQSYNZ-UHFFFAOYSA-N 422.576 3.786 0 50 HHAA O=C(CN1CCN(Cc2cccc3ccccc23)CC1)Nc1cccc2nsnc12 22752299 YRXSLJDQDCDXQE-UHFFFAOYSA-N 417.538 3.601 0 50 HHAA C[C@@H]1Cc2cccc3c(=O)c(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cn1c23 33089122 CCRXLOPNOJZSST-OAHLLOKOSA-N 407.901 3.734 0 50 HHAA CSc1nc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cs1 55358270 XTESAQMQSUNKHI-QGZVFWFLSA-N 416.616 3.600 0 50 HHAA CSc1ccccc1NC(=O)[C@@H](C)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 110186631 HWZMFFRHQYRTRY-MRXNPFEDSA-N 422.554 3.675 0 50 HHAA CC[C@H]1CCc2c(sc(NC(=O)CS(=O)(=O)CC)c2C(=O)OC(C)(C)C)C1 170607586 WWIDXHAQUOIAJN-LBPRGKRZSA-N 415.577 3.592 0 50 HHAA Cc1ccc(CN(Cc2ccco2)Cc2c(C)nn(CCS(C)(=O)=O)c2C)s1 225493573 DUVYBHHLWUWBQQ-UHFFFAOYSA-N 421.588 3.710 0 50 HHAA O=c1cc(CN2CCO[C@@H](c3ccccc3Br)C2)c2ccc(O)cc2o1 725806157 KDKCBMHNHCOXKD-LJQANCHMSA-N 416.271 3.835 0 50 HHAA CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)c1 729420252 DQVRQSNBBSEBGD-QGZVFWFLSA-N 422.497 3.500 0 50 HHAA O=C(c1cn(-c2ccccc2Cl)nn1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 731055369 PBDQYBAFYGBHEX-HXUWFJFHSA-N 414.868 3.646 0 50 HHAA C[C@H](O)c1ncc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)s1 877843221 JSICUOPKNGKRGB-HXPMCKFVSA-N 409.467 3.692 0 50 HHAA O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1ccc(N=c2cc[nH]cc2)cc1 1448857095 YZOXCQTWJMDONH-HSZRJFAPSA-N 415.493 3.985 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)N1CCCN(c2nc3ccccc3s2)CC1 1506403663 QOKSMRPXLVUGFL-UHFFFAOYSA-N 409.511 3.697 0 50 HHAA O=C(c1ccccn1)[C@H]1CCCN(Cc2ccc(OCCCn3ccnc3)cc2)C1 1506427614 RIKLCOUTCKOXDJ-NRFANRHFSA-N 404.514 3.842 0 50 HHAA Cc1cccc2c1c(CCNC(=O)[C@H]1CCc3[nH]nc(C(F)(F)F)c3C1)cn2C 1875305663 WZIPBWHJYUKHSZ-ZDUSSCGKSA-N 404.436 3.692 0 50 HHAA CCOc1ccc2nc(SCC(=O)Nc3cc4c(cc3C(C)=O)OCO4)[nH]c2c1 5691590 RZFKQXFXLJCRHF-UHFFFAOYSA-N 413.455 3.624 0 50 HHAA Cc1nnc2ccc(SCC(=O)N(C)Cc3ccc(Oc4ccccc4)cc3)nn12 11782396 XWGFNTRISBBXRR-UHFFFAOYSA-N 419.510 3.976 0 50 HHAA Cc1c(C(=O)N(C)Cc2ccco2)sc2ncnc(NCCc3ccccn3)c12 11786691 YVWRYDKMJOUTLO-UHFFFAOYSA-N 407.499 3.915 0 50 HHAA O=C(NCc1cccnc1)c1cccc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1 11820560 YEWWDURHTNENJN-HXUWFJFHSA-N 419.525 3.738 0 50 HHAA Cc1cccnc1C[C@@H](C)NC(=O)c1cc(COc2cccc3cnccc23)on1 11821849 HZYRFTVNBBXKLU-MRXNPFEDSA-N 402.454 3.866 0 50 HHAA CSc1ccccc1N1C(=O)CN(C(=O)c2cc(-c3ccc(C)o3)n[nH]2)C[C@H]1C 11912056 JYJXBOATOANATQ-CYBMUJFWSA-N 410.499 3.578 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 11996100 SSQYYABUQGKFLY-IBGZPJMESA-N 402.450 3.530 0 50 HHAA CC(=O)Nc1ccc(-n2ccc3c(cnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 12321384 HBDGHYARDOHDSS-UHFFFAOYSA-N 409.449 3.967 0 50 HHAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12385851 NZPNUYBCZNIJNN-OAQYLSRUSA-N 408.546 3.650 0 50 HHAA COCCN(Cc1cccc2c1OCO2)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 12747814 URWOTCHWTXYHFU-HXUWFJFHSA-N 422.569 3.743 0 50 HHAA CCn1nc(C)c(CNC(=O)CN2Cc3ccccc3O[C@H](c3ccsc3)C2)c1C 39489757 VTOIUSKTWWBTEH-QFIPXVFZSA-N 424.570 3.833 0 50 HHAA COc1ccc([C@@H]2[C@H](C(=O)Nc3cccnc3)c3ccccc3C(=O)N2C)cc1OC 40267881 AIOKNPIENITEMR-FGZHOGPDSA-N 417.465 3.648 0 50 HHAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(C[C@@H]2CCCO2)CC1 67856486 DBCNTGHMNPOGHK-SFHVURJKSA-N 409.452 3.965 0 50 HHAA Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(Cl)cc2)cc1 100736442 ZYSNZAHLHRYOLQ-RVKKMQEKSA-N 412.795 3.752 0 50 HHAA CCN(CC)CCSC1=NC(=O)[C@H](C(c2ccccc2)c2ccccc2)C(=O)N1 103424803 BZHHSLXWKZIVPX-UHFFFAOYSA-N 409.555 3.522 0 50 HHAA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 238881678 AWYACEIVBOFBHB-BHIFYINESA-N 418.424 3.885 0 50 HHAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccco2)N2C=Cc4ccccc4[C@@H]32)cc1 248110860 NKBSAVIPKRSEKM-GSPCLOLRSA-N 424.456 3.986 0 50 HHAA C[C@]1(CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CCO[C@H]1C1CC1 466691832 QJZVQDPBHPGSQT-JTHBVZDNSA-N 413.539 3.596 0 50 HHAA O=C(NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)Nc1ccc2c(c1)OC1(CCCCC1)O2 486671303 NSQSALDGTNJIEG-VYVBJOTLSA-N 422.525 3.749 0 50 HHAA C[C@H]1C[C@@H](C)CN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2c(F)cccc2Cl)C1 822355282 ZVLLNAWLWXILDJ-GRYCIOLGSA-N 404.873 3.931 0 50 HHAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1C 825106549 BQQZOWWUTTXSBF-UHFFFAOYSA-N 408.420 3.977 0 50 HHAA O=C(c1ccc(F)cc1O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356141462 CADIUEIHQCBQAH-KSCDAYEDSA-N 422.500 3.616 0 50 HHAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 675417 IABVJICWPXIXDH-UHFFFAOYSA-N 410.495 3.768 0 50 HHAA COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 814193 CYMPIXRPYXTOPT-UHFFFAOYSA-N 408.479 3.699 0 50 HHAA aggregator COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 1158619 NDMXQGMJYSLTGF-UHFFFAOYSA-N 417.303 3.949 0 50 HHAA COc1cc(C=O)cc(I)c1OC(=O)c1ccc(Cl)cc1 1161238 BMYNWYYNIWPYCF-UHFFFAOYSA-N 416.598 3.985 0 50 HHAA COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1 1176193 BCMCTNCRRQBASK-UHFFFAOYSA-N 416.437 3.761 0 50 HHAA O=C(NCc1ncc[nH]1)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 11932934 COKITFHOTNQEBH-UHFFFAOYSA-N 402.926 3.779 0 50 HHAA Cn1ccc(CC(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)c1 12431519 BGUIBVNQKRYRCZ-QGZVFWFLSA-N 401.938 3.556 0 50 HHAA Cn1cc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cn1 12433484 QOCPBTGGMCEXLH-OAQYLSRUSA-N 400.486 3.567 0 50 HHAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 12446511 WHTMGJUVXFJUEF-KRWDZBQOSA-N 400.486 3.599 0 50 HHAA COc1ccc(C(=O)NC2CC2)c(OC2CCN([C@H](C)CC(F)(F)F)CC2)c1 12474092 OQGKHHODGGHRPA-CYBMUJFWSA-N 400.441 3.772 0 50 HHAA COc1ccc(CN2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)cc1OC 14979890 GVKISKWSRXCFAK-CTNGQTDRSA-N 412.505 3.970 0 50 HHAA CN(C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC2CCN(C3CCCC3)CC2)C1 15061515 MHFWVJQEXHEIIO-LJQANCHMSA-N 419.997 3.902 0 50 HHAA CC(C)N1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 19741775 NQJOXTLDVNDLDD-UHFFFAOYSA-N 418.541 3.853 0 50 HHAA COc1ccc(-c2nn3c(nc2=O)-c2cc(Cl)ccc2NC32CCOCC2)cc1 170620094 GAZNGNOMRCYINL-UHFFFAOYSA-N 410.861 3.523 0 50 HHAA CCCCOc1ccc(-c2nnc(CN3CCC[C@@H]3[C@H]3CCCN3C(C)=O)o2)cc1 252477545 QLZSJWNOJVEJFI-NHCUHLMSSA-N 412.534 3.891 0 50 HHAA O=C(OCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC1CCN(CC(F)(F)F)CC1 252535882 HBUNVANYESJEDY-XEYPJELSSA-N 410.480 3.761 0 50 HHAA CS(=O)(=O)N1CCc2c(NC(=O)Nc3cc(C4CCCCCC4)[nH]n3)cccc21 494637471 LIOBJTUZKGABJE-UHFFFAOYSA-N 417.535 3.814 0 50 HHAA O=C(CCc1nc2cccnc2[nH]1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 1258055202 HKTSJWSBLNDOIY-OAQYLSRUSA-N 400.482 3.653 0 50 HHAA Cc1cc(S(=O)(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)c(Cl)cc1F 1506400381 MDPQINIORDWLNT-IBGZPJMESA-N 411.926 3.792 0 50 HHAA CCN1CCC(N(CCc2ccccn2)C(=O)Nc2ccc(OC)cc2OC)CC1 1506419149 YNEJMFPBYNJPCB-UHFFFAOYSA-N 412.534 3.660 0 50 HHAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CCC2(CCCO2)CC1 1704324993 BNDDRYFGKYMJGH-UHFFFAOYSA-N 419.909 3.839 0 50 HHAA O=C(Nc1cccc(Cn2cncn2)c1)NC1CCN(c2ccc(Cl)cc2)CC1 1875265048 NWJCOKGGCWXARI-UHFFFAOYSA-N 410.909 3.770 0 50 HHAA O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1cc2ccccc2s1 1875350244 GJUVVFXCXYLPPF-UHFFFAOYSA-N 410.314 3.711 0 50 HHAA Cc1nn(C)c2cc(NC(=O)C[C@@H](CN)c3ccc(Br)s3)ccc12 2325861141 GSXVCHACDABQHM-NSHDSACASA-N 407.337 3.777 0 50 HHAA Cc1cc([C@H]2CCCCN2C(=O)c2c(OCc3ccccc3)c(=O)ccn2C)no1 2356165511 BZJNSKUQMOVNAG-LJQANCHMSA-N 407.470 3.628 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 641922 URBKDTWJYJXMOZ-UHFFFAOYSA-N 416.524 3.905 0 50 HHAA Cc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 1012541 CLHXQJYSXQCSOC-UHFFFAOYSA-N 412.486 3.964 0 50 HHAA Cc1n[nH]c(C)c1C(=O)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 1071214 PTVWOQVZRLYBMO-QHCPKHFHSA-N 423.900 3.730 0 50 HHAA COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc(Cl)c1OC 1131146 PAYSTAHOAHHSTI-QGZVFWFLSA-N 417.918 3.789 0 50 HHAA O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)cc1 1155103 QRXUSAZMFQNLFN-UHFFFAOYSA-N 403.365 3.666 0 50 HHAA CCOc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 1198017 NHHRBTVLHSAJEQ-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA CCOC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccccc1 2760363 BSPMLFLFBDUHPG-KBPBESRZSA-N 400.456 3.592 0 50 HHAA CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 2859588 JUMPPOUOBFSLPU-AWEZNQCLSA-N 416.971 3.635 0 50 HHAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(-c2cnc3ccccc3n2)c1 2880711 SXPZLDUDVHGLLJ-UHFFFAOYSA-N 408.417 3.532 0 50 HHAA CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)N(C2CCCCC2)C(C)=C1C(=O)OCC 3017561 KQBAIGIBHFNWIB-LJQANCHMSA-N 418.456 3.606 0 50 HHAA Cc1sc(NC(=O)c2ccccc2I)c(C(=O)O)c1C 4155093 JFORUARGWYXYGT-UHFFFAOYSA-N 401.225 3.920 0 50 HHAA O=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccccc2)CC1 4545281 KWNVCARNZFLZSO-UHFFFAOYSA-N 412.433 3.745 0 50 HHAA C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 6036215 MIHNUBCEFJLAGN-DMMBONCOSA-N 406.563 3.657 0 50 HHAA endogenous,in-man CCn1ncc(CNC(=S)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)c1C 6144982 GZZXIOXIQLFCKK-NSHDSACASA-N 406.577 3.671 0 50 HHAA CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)ccc1O 9138054 DSLZLKJBTDQYCG-FQEVSTJZSA-N 411.527 3.839 0 50 HHAA Cc1ccc(SCc2cc(=O)[nH]c(N3CCN(c4ccccc4F)CC3)n2)cc1 9426368 KMNXOFOENOFXIH-UHFFFAOYSA-N 410.518 3.836 0 50 HHAA COc1ccc(CN2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c(F)c1 11820702 CTSLFEBFVCHYSK-IBGZPJMESA-N 413.537 3.923 0 50 HHAA COc1cccc(CN2C[C@@H](C(=O)N(C)Cc3[nH]c4ccccc4c3C)CCC2=O)c1 11873486 JJYHQQVJXMMQLY-IBGZPJMESA-N 419.525 3.882 0 50 HHAA CCN(Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 12306329 ZCUMKJZEGNTIHV-KRWDZBQOSA-N 411.930 3.549 0 50 HHAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@H](C)O[C@H](C)C4)c3n2)cc1 13482241 CEWIKACZNNDERF-BETUJISGSA-N 416.428 3.592 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3F)n2)ccc1C 16625036 HWPUDYSHEUDTDJ-HNNXBMFYSA-N 422.460 3.906 0 50 HHAA Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(N)=O)cc1C 17081990 JWLSNJKUNIOSFV-CABCVRRESA-N 400.500 3.960 0 50 HHAA O=c1[nH]c(CSc2nnc(-c3ccncc3)n2-c2ccccc2)nc2ccccc12 17987069 UPZVMHGIZUCAAQ-UHFFFAOYSA-N 412.478 3.858 0 50 HHAA Cc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cccc(C)c3n2)c(C)c1 20357090 JAGFALNHAGNTJP-UHFFFAOYSA-N 403.526 3.889 0 50 HHAA CCn1cc(Br)c(CN(C)S(=O)(=O)c2ccc(CC(C)C)cc2)n1 20614385 SBXKBJIGCNZHHP-UHFFFAOYSA-N 414.369 3.685 0 50 HHAA O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ccn1Cc1ccc(Cl)cc1 40391389 HJSNNZKBKHBFBF-UHFFFAOYSA-N 405.820 3.947 0 50 HHAA O=C(C1CCN(C2CCN(Cc3cccc4cnccc34)CC2)CC1)N1CCCC1 42489216 KHPRRKZXXURWJQ-UHFFFAOYSA-N 406.574 3.534 0 50 HHAA CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)NCC(=O)OC)[C@@H]2CO[C@@H]1C2 102178989 STIYTIWKJAUJKK-AAPLZAHSSA-N 421.578 3.541 0 50 HHAA in-vitro O=C(COc1ccccc1)N[C@H]1CCCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 169780771 JUBXBGUMUGWPRE-SFHVURJKSA-N 410.905 3.894 0 50 HHAA CCc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)nc(C)n1 170640485 VKFXRSVUEYIUGT-GOSISDBHSA-N 402.498 3.992 0 50 HHAA C[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)C(=O)c1ccccc1 197180883 FEBOCRRUVMFSJR-SIPRGPJJSA-N 417.461 3.650 0 50 HHAA COc1ccccc1CCNc1nc(CN2CCCC[C@H]2CO)nc2ccccc12 299757759 MWSANMKQXMOWCM-IBGZPJMESA-N 406.530 3.640 0 50 HHAA CNC(=O)[C@@]1(C)CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)C1 431231297 LHKFZJRJCIUZGT-VWLOTQADSA-N 416.525 3.505 0 50 HHAA O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1nnc(O)c2ccccc12 438131817 PGYUNQIDWGZLSI-INIZCTEOSA-N 423.473 3.549 0 50 HHAA C[C@H]1CN(c2cccc3cnccc23)CCN1CCCS(=O)(=O)c1ccccc1 447381365 GUHIUQAJLSRGTH-IBGZPJMESA-N 409.555 3.609 0 50 HHAA O=C(CSCc1ccc(Cl)cc1Cl)N[C@@H](CO)C[C@@H](O)c1ccccc1 770836753 UHTXACQPWYOJIL-SJLPKXTDSA-N 414.354 3.827 0 50 HHAA COc1ccc(CNC(=O)C2CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)cc1 952964107 MBEVXFFCMRXESE-OAQYLSRUSA-N 406.526 3.670 0 50 HHAA COc1ccc(F)cc1C(=O)N1CCC[C@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857697281 NEOLVQPDAZBRAE-QHCPKHFHSA-N 413.493 3.748 0 50 HHAA Fc1ccc(/N=c2/scc(-c3cnccn3)n2CCOC[C@H]2CCCO2)c(F)c1 1875255771 CPLKYPDHNIMVKT-IVSOZVEDSA-N 418.469 3.713 0 50 HHAA O=C(N[C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C(F)(F)c1cnc(O)nc1O 1875257260 FEUNBDSSKWDIBP-TVQRCGJNSA-N 418.227 3.739 0 50 HHAA C[C@]1(CNC(=O)NCc2cccc(OC(F)F)c2)CCN(Cc2ccccc2)C1 1875306626 AEWVZMNQJVMULZ-JOCHJYFZSA-N 403.473 3.999 0 50 HHAA C=CC(=O)NCc1ccc(C(=O)N2CCc3c(Br)cc(F)cc3C2)cc1 1875371398 ZCJHYXNJOKYFEB-UHFFFAOYSA-N 417.278 3.589 0 50 HHAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2snc(Cl)c2Cl)C1 1875383085 GEJKMNUQOFRRTK-HEHXSTRBSA-N 410.326 3.582 0 50 HHAA Cc1c(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cccc1-c1nnco1 2325708343 LSTRTOIMBILENW-UHFFFAOYSA-N 405.502 3.828 0 50 HHAA O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1 538550 MVWVFYHBGMAFLY-UHFFFAOYSA-N 412.946 3.809 0 50 HHAA biogenic,fda CCOC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccc(C)cc1 643983 NCSJLPLVRRXXMS-UHFFFAOYSA-N 413.499 3.915 0 50 HHAA O=C(COc1ccc(Br)cc1Cl)N1CCN(c2ccccc2)CC1 1184921 MZAHBILPLZBCMZ-UHFFFAOYSA-N 409.711 3.830 0 50 HHAA O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1I 2840913 KWIVMNPJMJRWME-UHFFFAOYSA-N 421.278 3.769 0 50 HHAA COC(=O)c1cn(C(=O)CCCCCN2C(=O)c3ccccc3C2=O)c2ccccc12 4833713 ALTLYGDBJOVWEU-UHFFFAOYSA-N 418.449 3.925 0 50 HHAA CCOC(=O)CNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 5472826 ALZWAFHJCRSLNB-UHFFFAOYSA-N 413.271 3.957 0 50 HHAA CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cn(Cc2c(F)cccc2F)nn1 11711755 HRMBWETXEZGZSI-UHFFFAOYSA-N 400.473 3.893 0 50 HHAA O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@](CO)(CCc2ccccc2)C1 11934402 BILJKLRZJORBEH-RUZDIDTESA-N 403.526 3.779 0 50 HHAA CC[C@@H](C)CN1CCC([C@]2(CC)NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 12042928 BAZWGHSDSGSGLF-KOSHJBKYSA-N 415.578 3.696 0 50 HHAA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 12197207 AKMMQTFBOXJABV-KRWDZBQOSA-N 423.469 3.716 0 50 HHAA COC(=O)c1cccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3C)C2)c1 12587216 KUGXBDSNVSOEHR-HXUWFJFHSA-N 408.542 3.808 0 50 HHAA COc1cc(-c2cccc(OC)c2OC)cc2c1OCCN(Cc1cn(C)nc1C)C2 14990382 AISXLSDNJKZLFY-UHFFFAOYSA-N 423.513 3.816 0 50 HHAA CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(I)cc1 16212626 IEESUNAGWOBJBD-FOWTUZBSSA-N 421.234 3.625 0 50 HHAA O=C(CSc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19973505 LEEQXBJTLUTRQR-UHFFFAOYSA-N 404.919 3.505 0 50 HHAA Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)NCCN3CCOCC3)c2c1 20407653 ZBBZXJUGTRSXAM-UHFFFAOYSA-N 403.526 3.889 0 50 HHAA O=C(Nc1ccc2c(c1)CN(Cc1nc3ccc(F)cc3[nH]1)CC2)c1ccccn1 20515355 LNSQFTOKGRPPRI-UHFFFAOYSA-N 401.445 3.908 0 50 HHAA Cc1cccc(CN[C@H]2CCc3c(sc4ncn(Cc5ccccn5)c(=O)c34)C2)c1 23340257 OBRHWHZYTQMBCR-SFHVURJKSA-N 416.550 3.857 0 50 HHAA CC(=O)c1ccc(NC(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 55270239 VSOKGLAEAMIXDI-QHCPKHFHSA-N 406.530 3.708 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)Cc4cccc(C)c4)C3)[nH]n2)cc1 169753687 UZNUFFJNTIVICV-HXUWFJFHSA-N 404.514 3.721 0 50 HHAA O=C(c1ccc(Cl)cc1)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169778031 HLGBCCCGGDVUJA-KRWDZBQOSA-N 420.860 3.736 0 50 HHAA CC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccccc4Cl)CC3)nn2)n1 169780928 ZIXUHSNKJNRXJV-UHFFFAOYSA-N 400.870 3.582 0 50 HHAA CN(C)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cn1 225808100 PQMFNIHTHDVGBW-QFIPXVFZSA-N 420.582 3.734 0 50 HHAA CC(C)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 229688179 ZDLNCDWZOBKCTH-YUGWGPBPSA-N 411.927 3.842 0 50 HHAA C[C@H]1[C@H](C)CCC[C@H]1n1c(SCCN2C(=O)CCC2=O)nc2ccccc2c1=O 248152204 KJSPGFFIPXDCCU-RVKKMQEKSA-N 413.543 3.635 0 50 HHAA Cc1csc(-c2cccc(CNC(=O)[C@H](C)n3cnc4ccccc4c3=O)c2)n1 252492760 MVIJXOTUGVQTJG-HNNXBMFYSA-N 404.495 3.706 0 50 HHAA OC[C@@H](NCCCN[C@H](CO)c1cccc(Cl)c1F)c1cccc(Cl)c1F 499941775 ZGPMIPIAFMJVKJ-IAGOWNOFSA-N 419.299 3.608 0 50 HHAA C[C@@H]1CCc2c(sc3nc(COC(=O)c4nnc(O)c5ccccc45)nc(O)c23)C1 952961904 RRHWUYJZPUFCLM-SNVBAGLBSA-N 422.466 3.528 0 50 HHAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)C1c2ccccc2-c2ccccc21 1529168430 DAOSASDQQZHTHS-MRXNPFEDSA-N 421.522 3.611 0 50 HHAA CC1=CC2(CCN(S(=O)(=O)c3ccc(-c4c(C)noc4C)s3)CC2)OCC1 1704302131 DUUCITAPZXRXGK-UHFFFAOYSA-N 408.545 3.910 0 50 HHAA O=C(OCCN=c1ccc(Cl)n[nH]1)c1ccc(SCc2cccnc2)cc1 1875253741 BPXJESMTNDUYSW-UHFFFAOYSA-N 400.891 3.508 0 50 HHAA CC(C)(C(=O)Nc1ncc(Br)s1)c1ccc(Br)cn1 1875359133 VOYRATWXNXOUJJ-UHFFFAOYSA-N 405.115 3.979 0 50 HHAA CO[C@@H]1CCn2cc(C(=O)OCc3csc(Cc4ccc(Cl)cc4)n3)nc2C1 2325825298 LMGYAZUFAAVOGQ-MRXNPFEDSA-N 417.918 3.902 0 50 HHAA NC[C@H](CC(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Br)s1 2325861640 WETANMGGCVEVCF-LBPRGKRZSA-N 405.321 3.972 0 50 HHAA CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cc(OC)ccc1OC 951972 VJIVDZGPVXRZAV-UHFFFAOYSA-N 410.426 3.959 0 50 HHAA CC(=O)Oc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 1085706 VAHLNGNEKUDYDW-UHFFFAOYSA-N 400.390 3.665 0 50 HHAA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccc(Br)cc2)NC(=O)N1 1159145 DWKAXHJSKGXBLJ-INIZCTEOSA-N 422.229 3.994 0 50 HHAA CC1=C(C(=O)OCC(F)(F)F)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 1189105 SSAXTTOUPTXUBY-SFHVURJKSA-N 420.387 3.999 0 50 HHAA CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cnccn1 2391401 MJCXIEMJGOMDLE-UHFFFAOYSA-N 402.911 3.756 0 50 HHAA COc1cc(CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc(OC)c1OC 3094702 TVVJVONSGQXDLL-UHFFFAOYSA-N 405.450 3.873 0 50 HHAA biogenic,in-vitro COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCc2ccncc2)cc1 6154231 PMQXZJVGLOBBOP-STZFKDTASA-N 421.884 3.831 0 50 HHAA C[C@H](C(=O)N1CCC2(CC[C@H](CNC(=O)c3ccccc3F)O2)CC1)c1ccccc1 11839088 OUTKEDCLMTYECI-AZUAARDMSA-N 424.516 3.899 0 50 HHAA CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C3CCCCCC3)CC2)c1 12193600 YBPTXPFHCMZMRA-UHFFFAOYSA-N 401.595 3.886 0 50 HHAA COc1ccc(OC)c(CC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1 12198628 CZSQNHYIMKRZQP-LJQANCHMSA-N 400.494 3.508 0 50 HHAA O=C(c1ccc(OC2CCN(Cc3cccc4c3OCO4)CC2)cc1)N1CCCC1 12704217 IPPKQYCXMCLTSG-UHFFFAOYSA-N 408.498 3.695 0 50 HHAA O=C(NC[C@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1)c1ccccc1Cl 14879176 KELZWDZTVWBLSN-MRXNPFEDSA-N 402.878 3.517 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc(Br)c3)CC2)cc1OC 19781981 BINPHZYELMAGOC-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA COc1cccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 20254681 LRKGMZIXKKLEDK-UHFFFAOYSA-N 422.550 3.791 0 50 HHAA COc1cc2c(cc1OC)CN([C@H]1CCCN(Cc3csc(C(C)=O)c3)C1)CC2 20272253 OGQWMKCNUZXABU-FQEVSTJZSA-N 414.571 3.991 0 50 HHAA CC[C@H](C(=O)NC[C@H](C)Cn1cc(Cl)cn1)n1nc(C(F)(F)F)c2c1CCC2 20607697 XYQCLPFYJUPKFX-SMDDNHRTSA-N 417.863 3.644 0 50 HHAA Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCN(C)CC2)CC[C@@H](C)C3)cc1 55195843 SOKJWCIEGGIQFV-MRXNPFEDSA-N 411.571 3.821 0 50 HHAA CCOc1ccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(OC)cc3)C4)no2)cc1 169769048 QOIUZVXVQCSMPP-IBGZPJMESA-N 419.441 3.674 0 50 HHAA O=C(NCCN(CC(F)F)C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 170597671 RBPSXQOUQCSIBG-MXEMCNAFSA-N 412.480 3.804 0 50 HHAA Cc1nc([C@@H](NC(=O)c2ccc(N3CCCCCC3)nc2)c2ccccc2F)no1 170626967 NSGOMJNQFSAXGW-FQEVSTJZSA-N 409.465 3.812 0 50 HHAA CC(=O)CCc1ccc(OCC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 170654883 WJBOWKAXLZCAJA-XXBNENTESA-N 408.542 3.756 0 50 HHAA C[C@H]1[C@H](C)CCC[C@H]1N(Cc1ccc2c(c1)OCO2)C(=O)CN1CCSC1=O 239637143 BJCLWTNHQJYYQU-HLLBOEOZSA-N 404.532 3.737 0 50 HHAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCCCCn1cnc2ccccc2c1=O 253406228 IUAHIFOJXGFEPE-NZQKXSOJSA-N 424.589 3.680 0 50 HHAA biogenic O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)cc1 442209755 SSDMWZPBWAJGBF-RTWAWAEBSA-N 407.514 3.549 0 50 HHAA CC1(C)C[C@H](NC(=O)N2CCC(OCCN3CCCC3)CC2)c2ccc(F)cc2O1 482938036 RGFKOHMVBHLXFG-FQEVSTJZSA-N 419.541 3.714 0 50 HHAA CN1C(=O)C[C@@H](CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)[C@@H]1c1cnn(Cc2ccccc2)c1 486420380 UAYRLSDEPHSADW-MDBAWJEQSA-N 418.585 3.865 0 50 HHAA OC[C@H](NCCCN[C@@H](CO)c1cccc(Cl)c1F)c1cccc(Cl)c1F 499941777 ZGPMIPIAFMJVKJ-IRXDYDNUSA-N 419.299 3.608 0 50 HHAA Cc1cnn(CCC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1 1704338179 MTNWWGSQJJPNCU-XMMPIXPASA-N 401.514 3.545 0 50 HHAA COC(=O)C1(C)CC(C(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)C1 1875317075 MUMLLFOYVYCTSG-UHFFFAOYSA-N 411.477 3.578 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)C1 1875371662 INZSIVZUXVAINC-WBVHZDCISA-N 412.477 3.747 0 50 HHAA COc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1OC 942715 RSHZVENTRVIZIC-ONNFQVAWSA-N 409.223 3.960 0 50 HHAA CCCNCCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 2008038 JGGQWSXZZQPZTR-UHFFFAOYSA-N 402.438 3.928 0 50 HHAA in-vitro O=C(OCCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1)c1ccccc1 4046595 ULRZQRKBOCHEMN-UHFFFAOYSA-N 420.490 3.889 0 50 HHAA O=C(CCSCCC(=O)NCCCc1ccccc1)NCCCc1ccccc1 4650968 FSYKNSFEAVCZKP-UHFFFAOYSA-N 412.599 3.998 0 50 HHAA CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)Cc2c(C)noc2C)CC1 11816292 YZFGBXPRNKSJNE-UHFFFAOYSA-N 418.921 3.902 0 50 HHAA COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC[C@@H](O)CN(C)C(C)C 11945931 JGOIAWXIRMNAPW-FQEVSTJZSA-N 404.526 3.512 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 12320414 CMLSRIXDJHAJRW-OAQYLSRUSA-N 423.557 3.570 0 50 HHAA COc1cc(OC)cc(C(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)c1 12596499 IFPYTAVYTGYMKX-UHFFFAOYSA-N 400.381 3.836 0 50 HHAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccsc3)C2)c(OC)c1 14967254 SRINQQSCOGTNPO-MRXNPFEDSA-N 416.543 3.714 0 50 HHAA O=C(O)c1[nH]ncc1CN1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 67741623 SKKGLEUPBDGDCQ-UHFFFAOYSA-N 413.481 3.570 0 50 HHAA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)N4CCCN4[C@H]3C2=O)cc1Cl 136842602 UULNPHDSVQHYTC-IPMKNSEASA-N 416.308 3.837 0 50 HHAA COC(=O)[C@@H](NC(=O)Cc1csc2ccc(Cl)cc12)c1ccc(OC)c(O)c1 170598343 HXRHNXPLJVVHEI-IBGZPJMESA-N 419.886 3.842 0 50 HHAA CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccsc3)C2)cc1 170618438 BDMZNHVPQPVKNX-KRWDZBQOSA-N 415.496 3.704 0 50 HHAA Cc1cc(Br)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Cl 225541981 ZZYGDDYMQQMVOL-UHFFFAOYSA-N 423.804 3.998 0 50 HHAA O=C(NCc1ccccc1Br)c1ncn2c1CO[C@@H](c1ccccc1)C2 263615929 GBPBVSXZVGIWCY-GOSISDBHSA-N 412.287 3.847 0 50 HHAA COc1cccc(-c2cc3n(n2)[C@H](NCc2cccc(C(F)(F)F)c2)CNC3=O)c1 263619397 YNQLTOJAOZZXMG-IBGZPJMESA-N 416.403 3.609 0 50 HHAA O=C(O)c1cn([C@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)nn1 400212785 CWGQWEGKXXMZQF-HNNXBMFYSA-N 418.453 3.562 0 50 HHAA Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCN1CCCOCC1 438822661 HKXXDEKBDTUWGD-UHFFFAOYSA-N 403.526 3.591 0 50 HHAA CC[C@H](C)CONC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 816980057 DLYCXUZIUOCLOE-INIZCTEOSA-N 416.485 3.644 0 50 HHAA O=C(CCn1c(O)nc2ccccc21)NC[C@H](c1ccccc1)N1CCCCCC1 827822917 ANUGIFQNXUKMCW-JOCHJYFZSA-N 406.530 3.866 0 50 HHAA Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(NC[C@H](O)CN(C)C)c2c1C 915213978 WLCLZFGUPUXCIG-AWEZNQCLSA-N 422.501 3.911 0 50 HHAA CCNC(=O)N1CC[C@H](NC(=O)N[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)C1 1478135435 ZZWVGMWBKCDNBF-ACIOBRDBSA-N 420.557 3.951 0 50 HHAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1csc(-c2ncccn2)n1 1506399607 BFIZRZRDPSYUMB-UHFFFAOYSA-N 407.543 3.584 0 50 HHAA CCOc1cc(CN2CC(=O)N[C@@H](Cc3ccccc3)C2)cc(Cl)c1OCC 1772704545 MRMARMORJNGLND-SFHVURJKSA-N 402.922 3.681 0 50 HHAA COc1cc(Cl)cc2cc(C(=O)N3CCN(c4ccc(F)cn4)[C@H](C)C3)oc12 1857698336 LYVQYGGVZNFOGQ-GFCCVEGCSA-N 403.841 3.980 0 50 HHAA CN(CCc1cn[nH]c1)C(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857706419 QMVRMFPYEHGVRL-AWEZNQCLSA-N 401.898 3.512 0 50 HHAA CC(=O)Nc1nc(C)c(S(=O)(=O)N(c2cccc3cccnc23)C2CCC2)s1 1875263981 YFSATOSPRHCTJY-UHFFFAOYSA-N 416.528 3.706 0 50 HHAA O=C(CCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 2827722 PSWZKLIIBJTYBS-VXGBXAGGSA-N 401.677 3.840 0 50 HHAA COc1ccc2oc(=O)c(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)cc2c1 4078613 LUFHVMBVMNNMBW-UHFFFAOYSA-N 422.525 3.528 0 50 HHAA CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1 5676526 ILVISNLLLJXXLE-UHFFFAOYSA-N 420.962 3.587 0 50 HHAA Cc1c(CN2CCC3(CC2)C[C@H]3C(=O)NCC2(c3ccccc3)CCCC2)cnn1C 11838752 AEUHSIFOSQAFKF-QHCPKHFHSA-N 420.601 3.959 0 50 HHAA O=C(CCCn1cncn1)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 11873868 CCKZMARVMQPKHF-JOCHJYFZSA-N 424.593 3.527 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc(F)cc1 12149737 IITVUIVLCALWMX-PXNSSMCTSA-N 412.534 3.962 0 50 HHAA COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)CC1 12441856 XFFYZTIUGKWVPJ-HSZRJFAPSA-N 422.525 3.510 0 50 HHAA CCCN(CC1CC1)C(=O)c1cn(C(C)C)cc(C(=O)N[C@@H](C)c2ccco2)c1=O 14882606 MMCFSIOGNCOHJK-INIZCTEOSA-N 413.518 3.775 0 50 HHAA O=C(NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1)c1cccs1 14984881 KZBMJOQPPDCIBH-MRXNPFEDSA-N 414.556 3.589 0 50 HHAA O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 15072725 ARJOCDVSDCPEHO-DEOSSOPVSA-N 423.601 3.896 0 50 HHAA CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 16652394 ZBNQJEUJZLSMLP-UHFFFAOYSA-N 413.543 3.767 0 50 HHAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)cc1 19147128 DDXUCNKGWNDEKK-GOSISDBHSA-N 421.566 3.943 0 50 HHAA C[C@@H]1CN(CCC(=O)N(C)C[C@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 39510068 GEAJAEVKGHTLRC-UZLBHIALSA-N 402.922 3.505 0 50 HHAA Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1 43136020 VRARULXGQAFMBJ-GOSISDBHSA-N 414.513 3.908 0 50 HHAA CC(C)CC(=O)[C@@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1 55281406 ZSEUNAPSYCWMQA-LJQANCHMSA-N 423.623 3.694 0 50 HHAA O=C(Nc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 101282490 BIYLHHDLKROELJ-QKVYOWHYSA-N 400.906 3.868 0 50 HHAA CCO[C@@H]1C[C@@H](O)C12CCN(c1ccc(-c3ccc(Br)s3)nn1)CC2 225541200 ZKXVZZROHJLFDZ-HUUCEWRRSA-N 424.364 3.724 0 50 HHAA Cn1c(CCc2ccco2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 253397926 GZKMHDVSRFCCCW-QGZVFWFLSA-N 406.408 3.790 0 50 HHAA COc1ccc(-c2noc([C@H]3CCCN3C(=O)Cc3ccc(OC)c(OC)c3)n2)cc1 263618260 RZTKZCQLYWMHDQ-GOSISDBHSA-N 423.469 3.669 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N(C)C[C@@H]3CCCCO3)csc2C1 426550356 DYJZXTMSYATBRF-INIZCTEOSA-N 403.548 3.552 0 50 HHAA Cc1nc(N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c2cnn(C)c2n1 1704343682 XZXRFQPXNLPFIZ-DEOSSOPVSA-N 411.513 3.613 0 50 HHAA COc1cc2c3c(c1)[C@@]1(CN(C)C[C@H]1C(=O)c1ccccc1)C(=O)N3C(C)(C)C=C2C 1857526110 MPUCDMGMQBYKQU-HFZDXXHNSA-N 416.521 3.920 0 50 HHAA Cc1cccc2[nH]cc(CC(=O)N3CCN([C@@H](CO)c4cccc(Cl)c4)CC3)c12 1875262446 AMCCXQZTSGUROP-NRFANRHFSA-N 411.933 3.550 0 50 HHAA COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2cnc3[nH]c(C)nc3c2)c1 1875263646 FYBSVIURCVOPAD-JOCHJYFZSA-N 416.481 3.651 0 50 HHAA O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NCc1ccc2ccccc2c1F 1875320055 DYDPQRDELXZZNH-OAQYLSRUSA-N 407.489 3.545 0 50 HHAA COC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)sc(C)c1C 653154 KFQMMQCRTAAYDK-UHFFFAOYSA-N 401.410 3.883 0 50 HHAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 691929 NLZICSBZJSZDDZ-UHFFFAOYSA-N 400.525 3.750 0 50 HHAA CCOc1cc(C=O)c(Br)cc1OCC(=O)Nc1ccccc1OC 2764525 PNINKPFHXXFMFL-UHFFFAOYSA-N 408.248 3.686 0 50 HHAA Cc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)[C@H]1CCCO1 11786576 JJHOIOSVCBIWAE-OAQYLSRUSA-N 419.481 3.626 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc2cc[nH]c2c1 11973521 SRRFOSLDBCTSQK-NRFANRHFSA-N 404.514 3.507 0 50 HHAA COCCN1C(=O)N(C)C(=O)C12CCN(Cc1cccc(-c3ccccc3C)c1)CC2 14744646 DVWBNZWIVKWKIR-UHFFFAOYSA-N 421.541 3.537 0 50 HHAA CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccc(Cl)s1)C2 14748616 DLBISMVUCVWOLJ-CQSZACIVSA-N 406.983 3.891 0 50 HHAA Cc1c(C(=O)NCCc2ccc(F)cc2)sc2ncnc(NC[C@H]3CCCO3)c12 14977136 MHGAEWFEXOFHJL-MRXNPFEDSA-N 414.506 3.702 0 50 HHAA COc1cc(CNCc2cccc(F)c2)ccc1OC[C@H](O)CN1CCCCCC1 15063040 JJJBDWRRDLIKSF-JOCHJYFZSA-N 416.537 3.740 0 50 HHAA CN(CCN1CCOCC1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 19782137 SYUFCFGBDRGJEV-UHFFFAOYSA-N 406.530 3.643 0 50 HHAA COc1cccc(OC)c1C(=O)N1CCN(Cc2c(OC)ccc3ccccc23)CC1 19882789 HVCRORDSBXJHLK-UHFFFAOYSA-N 420.509 3.824 0 50 HHAA CS[C@H](C)C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c12 77406447 JHQJUXXEJCLKNT-GFCCVEGCSA-N 414.462 3.811 0 50 HHAA CC(C)NS(=O)(=O)c1ccc2c(c1)nc(-c1cnc(C(C)C)nc1)n2C(C)C 82161389 SYPIRMFRQMLJJL-UHFFFAOYSA-N 401.536 3.884 0 50 HHAA CC(C)c1c(NC(=O)N2CC[C@H](N3CCCC3=O)C2)cnn1-c1ccccc1Cl 485199706 ZTIYDAYJVHZFRO-HNNXBMFYSA-N 415.925 3.878 0 50 HHAA C[C@@H](CN1CCc2ccccc2C1)NCc1cc2ccccc2nc1N1CCOCC1 952974870 PGCSURGUIJFNDF-FQEVSTJZSA-N 416.569 3.608 0 50 HHAA C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc2c(O)ncnc2c1 1298397585 ZUHHISLJORCRSE-SGTLLEGYSA-N 417.387 3.956 0 50 HHAA Cc1cc(NS(=O)(=O)c2csc3ccccc23)ccc1N1CCN(C)CC1 1327858926 SMNYZMJSOMDHAP-UHFFFAOYSA-N 401.557 3.762 0 50 HHAA O=C(c1nnc(O)c2ccccc12)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1506421308 OFXWOWCGRFDAGS-DCLXLUIPSA-N 403.482 3.628 0 50 HHAA Cc1ccc(F)c2c1CCN(C(=O)C(=O)N[C@H]1C[C@H](c3ccc(Cl)cc3)C1)C2 2325820310 NPIJQDCUEXPYEK-JCNLHEQBSA-N 400.881 3.735 0 50 HHAA O=C(c1cc(Cl)ccc1F)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356140235 ZWFUUKAZSLBBOL-NRFANRHFSA-N 401.869 3.672 0 50 HHAA O=C(O)c1ccc(Oc2ccc(C(=O)c3ccc(C(=O)O)c(C(=O)O)c3)cc2)cc1 754400 CVKVBRPYFZIZDG-UHFFFAOYSA-N 406.346 3.805 0 50 HHAA O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccccn1 1109386 QTNDUBONYCKUPX-HSZRJFAPSA-N 406.869 3.785 0 50 HHAA O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccncc1 1110431 ZFBMPWFGLFUAAX-HSZRJFAPSA-N 406.869 3.785 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2)cc1 1111712 OAMZMNKZXSKQNI-KRWDZBQOSA-N 423.332 3.549 0 50 HHAA C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 2851180 IPBJJSGEGIRTOW-SNVBAGLBSA-N 406.813 3.664 0 50 HHAA Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)NCc1ccccc1 2859707 FYHIANKDHJLOKF-UHFFFAOYSA-N 422.554 3.681 0 50 HHAA Cc1cc(O)c(C2=NCCS[C@@H](c3cc(Br)ccc3O)C2)c(=O)o1 5441543 WREQRAUXIXVJPV-OAHLLOKOSA-N 410.289 3.789 0 50 HHAA CCn1cc(CN(C)C(=S)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)cn1 6145014 VIZBWUACLVWQAH-GFCCVEGCSA-N 406.577 3.705 0 50 HHAA CC[C@H](Sc1nnc(-c2ccncc2)n1CC(C)C)C(=O)Nc1nccs1 9095998 SEDUUHGMVZYNGI-AWEZNQCLSA-N 402.549 3.962 0 50 HHAA O=C(CCc1ccccc1)Nc1ccc(N2CCC(NC3CCOCC3)CC2)cc1 11912542 DCDQONLTOVHHJW-UHFFFAOYSA-N 407.558 3.995 0 50 HHAA COC[C@H]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)C1 11935131 QDFDPXFDEBKOFI-KRWDZBQOSA-N 418.969 3.862 0 50 HHAA Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)n1 12714011 ZEVUXDUGOQDQIC-UHFFFAOYSA-N 417.513 3.683 0 50 HHAA CN(C[C@H](O)COc1cccc(CNCCc2ccc(O)cc2)c1)C1CCCCC1 14980864 WWYPBZHLMBHBIR-DEOSSOPVSA-N 412.574 3.729 0 50 HHAA O=C(CSc1nc2ccc(I)cc2c(=O)[nH]1)c1ccccc1 16400185 TWOVMLKEBMNVEB-UHFFFAOYSA-N 422.247 3.503 0 50 HHAA CCc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cc(C)ccc3n2)cc1 17082725 RXIGLQHKJKKOCX-UHFFFAOYSA-N 403.526 3.835 0 50 HHAA Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)nc(N2CCCC2)n1 67601955 MMTGYFDTYWIXSE-UHFFFAOYSA-N 414.941 3.701 0 50 HHAA CCCCCCn1c(=O)c(C(=O)Nc2ccccc2C(N)=O)c(O)c2ccccc21 100534675 JZJBIZSHQLBVLM-UHFFFAOYSA-N 407.470 3.639 0 50 HHAA C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 170624855 QZHXALIUTXTVST-JLTOFOAXSA-N 413.905 3.821 0 50 HHAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl 248090815 LJEWTKLIIFXBPF-JRPNMDOOSA-N 407.363 3.798 0 50 HHAA CC[C@@H](c1ccccc1)S(=O)(=O)NC(=O)Cc1cccc(OCc2cccnc2)c1 814015324 DLIBZOOKPOBKPD-QFIPXVFZSA-N 424.522 3.800 0 50 HHAA COc1cccc2c(C)cc(N3CCC[C@H](CNC(=O)c4cccc(C)n4)C3)nc12 952973958 ZETBDIXHFLAFKW-GOSISDBHSA-N 404.514 3.902 0 50 HHAA CN(C)c1ncc2c(n1)[C@]1(CCCN(Cc3cc(CN4CCCC4)cs3)C1)CC2 1704311996 JASUOFVYBJRTNM-HSZRJFAPSA-N 411.619 3.680 0 50 HHAA O=C(c1cc(-c2ccccc2)[nH]n1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857722214 RDQKFXUUZVMPEO-ZEQRLZLVSA-N 416.525 3.755 0 50 HHAA O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](C(F)(F)F)O1 1857779874 UZKWTMYGUSOZHA-ZWKOTPCHSA-N 421.371 3.652 0 50 HHAA Cc1cc(NC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)c(O)nc1C 2100473732 XDSRCLFEILZEPJ-UHFFFAOYSA-N 402.516 3.648 0 50 HHAA COc1cc(/C=C/C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC 1457011 NDNSRTTYIRSKSK-BQYQJAHWSA-N 416.905 3.728 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1 2876735 MPHLKGQJCRIEDX-UHFFFAOYSA-N 406.463 3.592 0 50 HHAA Cc1ccc(CN(CC(=O)NCC(C)C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 4831848 AKSKMIIZYCWREE-UHFFFAOYSA-N 416.587 3.883 0 50 HHAA O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 4839086 DDZFPKIJRGRPHP-UHFFFAOYSA-N 408.523 3.557 0 50 HHAA Cc1c(C(=O)N[C@@H](C)CCCC(C)(C)O)cnn1-c1nccc(-c2cccs2)n1 11786494 LKANJNKYYCIBFP-AWEZNQCLSA-N 413.547 3.759 0 50 HHAA O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2ccccn2)CC1 12028405 UWPUTDVCWPJUSK-UHFFFAOYSA-N 417.513 3.717 0 50 HHAA CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)N2CCC(c3ccccc3)CC2)c1=O 12040312 LZDHDGXMSUITPC-KRWDZBQOSA-N 409.530 3.589 0 50 HHAA CO[C@@H](c1ccccc1)c1nnc(CCC(=O)NCc2nc3ccccc3s2)o1 12197938 VTBJMXQWZAHCQH-FQEVSTJZSA-N 408.483 3.664 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccccc2N(C)C)C1 12308553 WNJVRYKJRYWPHI-DEOSSOPVSA-N 412.505 3.920 0 50 HHAA CCc1ccc(CN(C)C(=O)CCc2nnc(Cc3ccc4c(c3)OCO4)o2)cc1 12440695 UTXFTPYNGMDWSD-UHFFFAOYSA-N 407.470 3.543 0 50 HHAA CN(Cc1ccc(OCCO)cc1)CC1CCN(CCc2ccc(F)cc2)CC1 12613095 LAAZEEYATJBXSP-UHFFFAOYSA-N 400.538 3.583 0 50 HHAA COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2scc4c2CCCC4)O3)nn1 14973889 GDPDILFRGQQHOF-QGZVFWFLSA-N 421.522 3.826 0 50 HHAA Cc1ccccc1CN[C@@H]1CCc2c(sc3ncn(Cc4ccccn4)c(=O)c23)C1 14994705 IIPLNAWXJUHLQL-GOSISDBHSA-N 416.550 3.857 0 50 HHAA COc1ccc(F)c(CN2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2=O)c1 15062353 MALQABHXHQJKDJ-LJQANCHMSA-N 402.432 3.991 0 50 HHAA CCc1noc(C)c1C(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55343302 HUIHQQAWHKTCOU-LJQANCHMSA-N 416.953 3.626 0 50 HHAA CCOc1ccc(NC(=O)NCCN2CCN(c3cc(Cl)ccc3C)CC2)cc1 58021426 ZBRLZQSGFLXOHV-UHFFFAOYSA-N 416.953 3.991 0 50 HHAA CCc1cccc(NC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1 67612305 BYFJPVIEUZGMMV-UHFFFAOYSA-N 417.517 3.840 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(F)cc4F)C3)[nH]n2)cc1 169753649 KXCNITAPUMOHGD-MRXNPFEDSA-N 412.440 3.762 0 50 HHAA CCOc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)cc1 169772009 BLQGTMFJISQPPW-OAQYLSRUSA-N 407.426 3.534 0 50 HHAA Cc1ccsc1-c1nnc(SCCN2CCN(C(=O)OC(C)(C)C)CC2)o1 170605608 RLAGRXPJJYNXPY-UHFFFAOYSA-N 410.565 3.751 0 50 HHAA CCOc1cc(CNc2n[nH]c3ccccc23)ccc1OCC(=O)N1CCCCC1 170609074 SMLJYIPMJBIYCM-UHFFFAOYSA-N 408.502 3.965 0 50 HHAA CC(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc2ccccc2n1C 252510762 ZPZUWPNHNBNXAM-TZIWHRDSSA-N 418.541 3.825 0 50 HHAA O=C(CCN1C(=O)CCc2ccccc21)NOCc1ccc(F)cc1Br 781120976 DIHZKRYTQYCZOI-UHFFFAOYSA-N 421.266 3.506 0 50 HHAA O=C(Cc1csc(-c2ccccc2)n1)NC1CCN(C2CCSCC2)CC1 952976232 JYTNTLUKHDJCMC-UHFFFAOYSA-N 401.601 3.829 0 50 HHAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCN(c2nsc3ccccc23)CC1 1857711438 ZQVJTVFAMQVFPD-UHFFFAOYSA-N 403.511 3.957 0 50 HHAA Cc1cnn(-c2ccncc2N2C(=O)NC3(CC(c4ccccc4Cl)C3)C2=O)c1 2325869171 BCEWRPCOXYDBSD-UHFFFAOYSA-N 407.861 3.602 0 50 HHAA O=C(c1cncc(Cl)c1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356140811 QFMQSZBSSWIHFS-WAGURGNTSA-N 423.944 3.819 0 50 HHAA O=C1C[C@@H](C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)c2ccccc2N1 2356147622 FVXISAAEMKKZFM-LJQANCHMSA-N 415.493 3.684 0 50 HHAA CCCCOc1ccc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)cc1OC 2308816 NMOUQQPQEJPGKU-XMHGGMMESA-N 407.495 3.553 0 50 HHAA CCn1c(CNC(=O)c2ccccc2F)nnc1SCCOc1ccccc1 2886070 LCLDZTXLYYKWJF-UHFFFAOYSA-N 400.479 3.538 0 50 HHAA CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 4685280 GCXBVTANQQADEE-LJQANCHMSA-N 420.531 3.522 0 50 HHAA Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2Cl)c1 4869088 KJNPWHBFVAFABW-HUUCEWRRSA-N 422.934 3.699 0 50 HHAA COc1ccc(-c2nc3c(c(SCC(=O)N4CCCC4)n2)COC(C)(C)C3)cc1 5204232 MYYROONRBUKODG-UHFFFAOYSA-N 413.543 3.718 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2cccc3nccnc23)C1 11999639 IEWWRSJRHUKBSY-XMMPIXPASA-N 421.472 3.797 0 50 HHAA Cc1csc([C@H](C)NC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n1 12201172 ICGIQQMNJGIJIM-HNNXBMFYSA-N 413.543 3.722 0 50 HHAA CCN(CC)C[C@@H](O)COc1cc(CN(C)Cc2ccc(C)cc2)ccc1OC 12202025 XOVWOFCEVCULRZ-JOCHJYFZSA-N 400.563 3.717 0 50 HHAA Cc1c([C@H](C)NC(=O)CCCN2CCCC2=O)cnn1-c1cccc2ccccc12 12207394 SBWXSXHNMLJFRF-KRWDZBQOSA-N 404.514 3.914 0 50 HHAA CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1 17090620 LFPOGGDDXUVZFY-UHFFFAOYSA-N 416.478 3.756 0 50 HHAA COc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c(F)c1 20535049 XYSGTLPXNKOAIN-FQEVSTJZSA-N 413.537 3.630 0 50 HHAA CCn1ccc(-c2cc(C(=O)O)n3nc4nc(C(F)(F)F)cc(C5CC5)c4c3n2)n1 20615724 VJPFVDSYKPSLDL-UHFFFAOYSA-N 416.363 3.755 0 50 HHAA COc1cc(C(=O)c2cc(NS(C)(=O)=O)cc(-c3cccc4[nH]ccc34)c2)ccn1 34602681 YUVDELGTFILMBB-UHFFFAOYSA-N 421.478 3.841 0 50 HHAA Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(=O)O 67642892 HKNGCSRXPQGFDM-OAQYLSRUSA-N 400.438 3.797 0 50 HHAA CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1 95537774 LQPGVGSKBNXQDU-UHFFFAOYSA-N 417.513 3.509 0 50 HHAA in-vitro Cc1ccc(-c2cc3n(n2)[C@@H](NCc2cccc(Br)c2)CNC3=O)cc1 263619286 XXEIGERYNHICAG-LJQANCHMSA-N 411.303 3.653 0 50 HHAA CCCCN(C)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O 299770015 YPRDCLIKSMJNKC-QHCPKHFHSA-N 402.510 3.804 0 50 HHAA O=C(N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)n1cncn1 299859868 GAVZCGTYRWKKDV-UHFFFAOYSA-N 405.889 3.991 0 50 HHAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H](CCSC)n1cccc1 409413970 HMPCLVYNJFZKMK-BHDDXSALSA-N 421.651 3.912 0 50 HHAA biogenic CC1=CC2(CCN(S(=O)(=O)c3cc(-c4cnc(C)o4)ccc3C)CC2)OCC1 1704341769 ZUDPSRRVZSFEMR-UHFFFAOYSA-N 402.516 3.848 0 50 HHAA CC1(C)CCCc2c(N3CCC(CNC(=O)C(F)(F)F)CC3)nc(Cl)nc21 1875330332 ODUWKGLKNCYNMC-UHFFFAOYSA-N 404.864 3.639 0 50 HHAA O=S(=O)(c1c(F)cccc1F)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 2050024923 IGPVCNGJVUXOFH-UHFFFAOYSA-N 423.416 3.722 0 50 HHAA O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC[C@H]1CCCO1 917927 KDUULBCCBTWWAL-LLVKDONJSA-N 401.410 3.533 0 50 HHAA Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 1142260 YUVCMMGRBOJOHR-UHFFFAOYSA-N 401.315 3.869 0 50 HHAA Cc1ccc2cccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2n1 1454292 KQJVKZMEHGKCLC-UHFFFAOYSA-N 401.919 3.708 0 50 HHAA CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 4820632 JYCPSHLLSGGTMH-HXUWFJFHSA-N 412.511 3.800 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccccc2Br)c1 12138214 KRMZTOXDTXAVDM-HNNXBMFYSA-N 403.276 3.610 0 50 HHAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](N(C)CCc3ccccc3)C2)c1C 12315946 JKUZNKPZYCBMNR-FQEVSTJZSA-N 411.546 3.587 0 50 HHAA CC[C@@H](C)NC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 12703739 TXVDDEKJWUCHJF-GOSISDBHSA-N 411.550 3.990 0 50 HHAA CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(C1Cc3ccccc3C1)CC2 14535691 FQMZKXBBLQSLCD-UHFFFAOYSA-N 411.590 3.955 0 50 HHAA CC[C@H](C(=O)Nc1ccc(OC)cc1OC)n1nc(-c2ccc(C)cc2)ccc1=O 20095764 HRODDTRZFRWOPF-HXUWFJFHSA-N 407.470 3.826 0 50 HHAA CN(Cc1cc(-c2ccccc2)on1)Cc1c(C(=O)N2CCCC2)nc2sccn12 20254765 JQWLHPSZOPIHFJ-UHFFFAOYSA-N 421.526 3.919 0 50 HHAA CC(C)(C)CN1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@@H]1CCO 20598845 UYRROJFNQPSPQD-FQEVSTJZSA-N 402.970 3.712 0 50 HHAA CN(CCc1cn[nH]c1)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77554439 RODSXTUXJWCQBD-UHFFFAOYSA-N 421.545 3.756 0 50 HHAA CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Br)cc1F)CCCC2 169752915 OALVOBYJJURTKG-UHFFFAOYSA-N 409.255 3.737 0 50 HHAA Cc1ccccc1OCC(=O)N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169753637 JEWWMFLOOLSLRB-LJQANCHMSA-N 408.477 3.688 0 50 HHAA COc1cc(Cl)ccc1C(=O)N[C@@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1 169759530 ZNLAUZSHKKJINC-CYBMUJFWSA-N 402.907 3.809 0 50 HHAA COC(=O)[C@@H](CC(C)C)NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 211402822 GCMWURVCIVZPCU-GOSISDBHSA-N 413.470 3.711 0 50 HHAA Cc1cc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1 253401061 UZGWJENCTJVRDU-UHFFFAOYSA-N 408.527 3.748 0 50 HHAA Cc1noc([C@H](NC(=O)c2cc(-c3ccc(Br)cc3)on2)C(C)C)n1 334163188 WDRRSSIJBYLLBZ-OAHLLOKOSA-N 405.252 3.923 0 50 HHAA COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)CCNC(=O)CC(C)C)cc12 741522308 CVSHZPHADCCWJX-UHFFFAOYSA-N 400.475 3.529 0 50 HHAA Cc1sc2ccccc2c1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 1857738020 NVZUVVGVFCLCRR-GOEBONIOSA-N 411.552 3.929 0 50 HHAA C[C@@H]1CN(c2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)ccn2)CCO1 2325822167 GUNQSSILESPVPZ-MRXNPFEDSA-N 415.921 3.644 0 50 HHAA C[C@@H]1CCO[C@@H]1CCOC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 2325827208 ZHMYLTUTWBIXQE-AYOQOUSVSA-N 405.560 3.858 0 50 HHAA CCOc1ccc([C@@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 624103 ROXNUEHAHRJFNS-QFIPXVFZSA-N 409.511 3.662 0 50 HHAA Cc1ccccc1Cn1nc(C)c(NC(=O)CCn2cc(Br)cn2)c1C 652741 PYVLRWMXHHQZOQ-UHFFFAOYSA-N 416.323 3.844 0 50 HHAA CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2)cc1 1117803 DIMNTEHPAWRMOW-UHFFFAOYSA-N 405.907 3.827 0 50 HHAA Cc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc12 2723905 YMHSTXKMQOYHHR-UHFFFAOYSA-N 415.540 3.950 0 50 HHAA COc1ccccc1OCc1ccc(C(=O)Nc2ncn(Cc3cccc(F)c3)n2)o1 2796031 OZDORGSVTYNXBU-UHFFFAOYSA-N 422.416 3.898 0 50 HHAA C[C@@H](CCc1ccco1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl 4776769 DKOZMEZXLFVQIM-NSHDSACASA-N 419.330 3.588 0 50 HHAA CC1=NN(C(=O)c2ccn(COc3ccc(C(C)C)cc3)n2)[C@@](O)(C(F)(F)F)C1 6395135 STDSKUWVDVEZOY-SFHVURJKSA-N 410.396 3.516 0 50 HHAA Cc1ccc(C2(C(=O)N3CCC(n4nc(-c5ccccc5)oc4=O)CC3)CC2)cc1 9250980 WWJKJCDOYFKZBJ-UHFFFAOYSA-N 403.482 3.707 0 50 HHAA in-vitro COc1ccc(CC(=O)NC[C@@H]2Cc3cccc(-c4ncccc4C)c3O2)cc1OC 12186079 GODBFVNPBMZAPJ-IBGZPJMESA-N 418.493 3.737 0 50 HHAA O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)N1CCN(c2ccccc2)CC1 12308321 AAFBFFRGTCRKTC-UHFFFAOYSA-N 409.574 3.854 0 50 HHAA CCn1nc(C)cc1C(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12442825 KKTCJMREYPQUKO-JOCHJYFZSA-N 402.489 3.618 0 50 HHAA CN(Cc1cccc2cnccc12)C(=O)CCc1nnc(CCc2ccccc2)o1 12472813 ZOPYJEAORFZJBN-UHFFFAOYSA-N 400.482 3.994 0 50 HHAA CCOC[C@@H](O)CNCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl 12712444 NCEGWFVOFNLAKW-SFHVURJKSA-N 403.885 3.819 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N(C)Cc1ccsc1)C2 14741611 BLMVWKQXQZGSPX-SFHVURJKSA-N 400.592 3.970 0 50 HHAA COc1ccc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CCC2=O)cc1 14879833 FKXMOWNFDALGPR-UHFFFAOYSA-N 406.404 3.589 0 50 HHAA O=C(c1cc(COc2cccc3cnccc23)on1)N1CCN(C2CCCC2)CC1 14974371 HQYXQLDTYCWNDY-UHFFFAOYSA-N 406.486 3.502 0 50 HHAA CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCCN1CCN(C3CCCCC3)CC1)C2=O 19367051 PONXEBDYEQQOSP-GBXCKJPGSA-N 403.611 3.528 0 50 HHAA CC(C)n1cc(CN2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 23361125 XVZZYMNHLIPKHA-QFIPXVFZSA-N 401.986 3.904 0 50 HHAA CCOC(=O)c1cccc(S(=O)(=O)N(C)[C@@]2(c3ccccc3)CCCCC2=O)c1 225831234 LDYXPJOFYKOPIO-JOCHJYFZSA-N 415.511 3.522 0 50 HHAA O=C(Nc1ccc(Br)c(Br)c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 226272213 KLVKTRVXZIEBTC-QQXRRDQMSA-N 415.081 3.673 0 50 HHAA Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)c2ccccc21 263588057 OOHURPRMEZSTJU-UGNRZPKXSA-N 423.557 3.943 0 50 HHAA Cc1ccc(N2CC[C@@H](NC(=O)C3(c4ccccc4Cl)CCOCC3)C2=O)cc1 303826010 ARZPSJSJCFELDX-HXUWFJFHSA-N 412.917 3.618 0 50 HHAA Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCc1cnc(-c2ccccc2)s1 818196647 ZTJUBRHRJLATCG-ODLFYWEKSA-N 421.457 3.986 0 50 HHAA CC(=O)N1CC2=Nc3cccc4c3c(cn4CC(C)C)[C@@H](c3cnn(C)c3)C2=C1O 888090371 VIFAZSCRIIOWSJ-HXUWFJFHSA-N 403.486 3.881 0 50 HHAA O=C(c1cccs1)N1C[C@H]2CN(Cc3cnc[nH]3)C[C@@]2(CCc2ccccc2)C1 1772813600 JGDNJRHHSAZDJU-XXBNENTESA-N 406.555 3.678 0 50 HHAA Cn1c(C(=O)N2CCC([C@H]3OCCC[C@H]3N)CC2)cc2cc(C(F)(F)F)ccc21 1775988744 FJWLPGKLMQBKES-VQIMIIECSA-N 409.452 3.556 0 50 HHAA COCc1cc(=O)c(O)c(-c2[nH]c(-c3ccc(O)c(OC)c3)nc2-c2ccccc2)o1 1857526727 VHFSCSWPTRCVKA-UHFFFAOYSA-N 420.421 3.930 0 50 HHAA CC[C@H]1CN(CC(=O)NC(c2ccccc2)c2ccccc2)C[C@]2(CCCOC2)O1 1875262768 KLBYOAWWLLZDAH-DHLKQENFSA-N 408.542 3.552 0 50 HHAA CCO[C@@H](C(=O)N1CCC[C@H](n2cc(-c3ccc(OC)cc3)nn2)C1)C1CCCC1 1875338163 OPIRUNOVIZCTMU-SIKLNZKXSA-N 412.534 3.713 0 50 HHAA CCOc1ccc(-n2nc(Cc3ccc(OC)c(F)c3)nc2-c2cnc(O)n2C)cc1 1875349264 SBABLXAHLBMVQX-UHFFFAOYSA-N 423.448 3.511 0 50 HHAA O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)N[C@@H]1CCc2nnc(O)cc2C1 1875351781 IIUOUXXWPIPKSA-LJQANCHMSA-N 423.900 3.631 0 50 HHAA CC(C)(C)c1nn(C(C)(C)C)cc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819584 KFYPMBNUQUZFGW-UHFFFAOYSA-N 414.525 3.673 0 50 HHAA c1cc2c(cc1-c1cn3c([n+]1-c1ccc4c(c1)OCCO4)CCCCC3)OCCO2 622839 OHPFZTBEMSHOFK-UHFFFAOYSA-N 405.474 3.701 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(Br)cc1 786551 FJHDERKNKHBEOH-UHFFFAOYSA-N 417.712 3.507 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)sc(C(C)=O)c1C 860625 DUNJOZVEXWRXDU-CYBMUJFWSA-N 405.472 3.850 0 50 HHAA CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(Br)cc3)N2C1=O 2454969 PIZRPDPHLKSFFY-TZMCWYRMSA-N 409.305 3.661 0 50 HHAA O=C(Nc1ccccc1Cl)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1 2868739 RDHJLIIGGAPIEE-JEKTVJEGSA-N 410.857 3.728 0 50 HHAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NC1CCCCCC1 4364787 GZCNVRLLMJRKTJ-UHFFFAOYSA-N 408.564 3.515 0 50 HHAA C[C@@H](CCN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1)c1ccccc1 12004840 RYHXGNWUROLSLQ-FQEVSTJZSA-N 423.605 3.569 0 50 HHAA C/C=C(\C)CN1CCN(c2cccc3c2C(=O)N([C@H](C)c2nccs2)C3=O)CC1 12191131 RJKDTSKGNWOJSD-UDCCBSLUSA-N 410.543 3.589 0 50 HHAA Cn1nccc1C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2F)cc1 12205612 YQKCOCIARKZAML-IBGZPJMESA-N 422.460 3.985 0 50 HHAA CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12 12411147 KRNJJRTUVZKALA-UHFFFAOYSA-N 415.852 3.573 0 50 HHAA biogenic,in-vitro Cc1occc1C(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1 12437586 PWOAPRBFIDQNCH-UHFFFAOYSA-N 419.481 3.597 0 50 HHAA O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(C(=O)CCN2CCCO2)C1 12747842 AFCRLVUPQDZNFA-FQEVSTJZSA-N 410.489 3.941 0 50 HHAA C[C@@H](Cc1ccccn1)NC(=O)CN1Cc2ccccc2O[C@H](c2ccccc2F)C1 15068933 MQHBGPRSMNSLFP-UUOWRZLLSA-N 419.500 3.904 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@@H](NC2Cc3ccccc3C2)CN1Cc1ccc(Cl)cc1 20351202 OMLQTTLWILUKAQ-PKTZIBPZSA-N 411.977 3.565 0 50 HHAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 72139277 AILCXVASLPONMR-UHFFFAOYSA-N 414.941 3.701 0 50 HHAA Cc1ccc(C)c(CN2CCC(N3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)c1 82107348 KTRGUMHAZGAPGZ-JOCHJYFZSA-N 420.601 3.691 0 50 HHAA C/C(O)=C1\C(=O)N[C@@]2(C)C[C@H]1c1cc(Br)cc(Br)c1O2 100497281 LEOJDYZZDRIGMV-YVWZCALNSA-N 403.070 3.756 0 50 HHAA COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 170629024 YXAJIHDEMYCKBQ-KRWDZBQOSA-N 410.514 3.618 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c(C)c1C 170633450 WTUNSWJQWHFQFH-ICSRJNTNSA-N 405.516 3.795 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)c2C(N)=O)C1 239175769 QPORCUBZEUUYNN-RWNPNPFLSA-N 418.559 3.683 0 50 HHAA CC(C)Oc1ccccc1N1CCN([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 242263286 XXQSKZKSZFYNOW-TZIWHRDSSA-N 423.557 3.624 0 50 HHAA CCc1nccn1CCCNCc1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1 1506408248 CTZWSXOKLRRSAY-UHFFFAOYSA-N 413.474 3.504 0 50 HHAA O=C(c1ccccc1)N1CCC[C@@](O)(CN2CCC3(CCc4ccccc43)CC2)C1 1857708069 SSSAUEYWLSIUHV-AREMUKBSSA-N 404.554 3.634 0 50 HHAA NCc1ccc(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)c(O)c1 1875344520 GODLTJIBGSQENR-UHFFFAOYSA-N 401.825 3.546 0 50 HHAA COc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 1203638 TYFSPIHQRKDQGK-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H](F)[C@@H]1/C=C/[C@H](O)C1Cc2ccccc2C1 3981322 WTYSXBKKVNOOIX-JTGCGUAKSA-N 402.506 3.855 0 50 HHAA in-vitro COc1ccc(OC[C@@H]2CCCN(Cc3nc(COc4ccccc4)no3)C2)cc1 11842700 SCIGNYGNHXBDHQ-GOSISDBHSA-N 409.486 3.948 0 50 HHAA O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCCC[C@@H]1CCO 12430453 YHLDMBHCMCBNSK-JOCHJYFZSA-N 423.557 3.502 0 50 HHAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 12762699 SQOKAGSPQDVQLO-UHFFFAOYSA-N 418.497 3.930 0 50 HHAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H](N(C)Cc1ccsc1)CC2 14748315 LXDNIZHUYXJBMU-IBGZPJMESA-N 408.571 3.743 0 50 HHAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1nc(-c3ccccc3)cs1)C2 19112527 PZFFQTAHJWMEIQ-UHFFFAOYSA-N 421.570 3.821 0 50 HHAA C[C@@H]1CCO[P@](=O)([C@@H](NS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 22014877 GVCVGXDNHLVKFU-FGVQXUMUSA-N 422.654 3.680 0 50 HHAA CCc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 33318539 BZLHJMQGVJKFEB-UHFFFAOYSA-N 408.550 3.692 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]4CN(C(=O)C(C)C)CC[C@@H]43)cc2)n1 43641672 JRPPLOWKSWZTMR-GOTSBHOMSA-N 422.573 3.657 0 50 HHAA C[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CCN(C)CC2)C1 55448178 SVQUCCGWWXMXEP-AWEZNQCLSA-N 415.534 3.652 0 50 HHAA CN1C(=O)COc2cc3c(cc21)[C@@H](c1ccc(Oc2ccccc2)nc1)CC(=O)N3 65420827 QOHJNDSWHFVVIE-MRXNPFEDSA-N 401.422 3.703 0 50 HHAA CC(C)C1CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 82108348 OREGTQIBNICXQW-QHCPKHFHSA-N 412.622 3.653 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc5[nH]ccc5c4)C3)[nH]n2)cc1 169753686 KSMXJHVSEMGGOB-IBGZPJMESA-N 415.497 3.965 0 50 HHAA Cc1cc(C)n(-c2ccc([C@H](C)NS(=O)(=O)C3=Cc4ccccc4OC3)cc2)n1 170608420 AXIBQSWPGIMWHT-KRWDZBQOSA-N 409.511 3.903 0 50 HHAA O=S(=O)(Nc1cn(Cc2ccccc2)nn1)c1ccc(SC(F)(F)F)cc1 170609120 GMKNIUTYDDHJIM-UHFFFAOYSA-N 414.434 3.739 0 50 HHAA CCO[C@H]1C[C@H](N(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)C1(C)C 170636657 KESNTZGRHVTQLD-GJZGRUSLSA-N 417.575 3.768 0 50 HHAA CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1 230514064 OPKFNEBLSDWXNM-UHFFFAOYSA-N 424.950 3.648 0 50 HHAA CCc1c(C)sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1C(=O)NC1CCCC1 239412330 SOKFIIRCISZMOK-WRFANHODSA-N 416.543 3.753 0 50 HHAA COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1cc(F)c(F)cc1F 252511115 ZUJHPDCKXIDFKI-UHFFFAOYSA-N 416.193 3.682 0 50 HHAA COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)O)cc2)o1)c1cc2c(cc1O)OCO2 253398009 BUZGTNQPAJYLJK-HNNXBMFYSA-N 410.378 3.774 0 50 HHAA biogenic C[C@@H](CC(=O)N1CCOc2c(Br)cccc21)NC(=O)C1CCCCC1 441513211 ILRNSYIOOIVBKB-ZDUSSCGKSA-N 409.324 3.650 0 50 HHAA Cc1ccc([C@@H](NC(=O)COC(=O)c2cc(O)c3ccccc3c2O)C2CC2)cc1 852826647 XJUNFDLUDWKNDY-JOCHJYFZSA-N 405.450 3.984 0 50 HHAA CC[C@@H]1CCCN1C(=O)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 1875261625 VAKUWGSKJUIBSO-XXBNENTESA-N 422.525 3.579 0 50 HHAA Cc1cc(=NC(=O)NCc2ccc3nonc3c2)c2cc(Br)ccc2[nH]1 1875335952 NFLFLSXSHQJMRW-UHFFFAOYSA-N 412.247 3.586 0 50 HHAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@H]2CCCc3sc(C)nc32)CC1 1875383227 LUUXQXUKAWGNSQ-IBGZPJMESA-N 423.582 3.734 0 50 HHAA Cc1ccc(OCc2cc(C(=O)N3C[C@H](O)[C@H](Cc4ccncc4)C3)oc2C)cc1 2100482946 IELAMCSNNMNEJA-KNQAVFIVSA-N 406.482 3.546 0 50 HHAA COc1cccc(OC)c1C(=O)N1CCC[C@@]12CCCN(c1ccc(C)cc1)C2=O 2356164528 WIJIGEKQLURLAV-XMMPIXPASA-N 408.498 3.814 0 50 HHAA Cc1ccc(CNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 839562 XJVAFYWQFUJWHX-UHFFFAOYSA-N 408.523 3.891 0 50 HHAA C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1)c1ccccc1 1117809 HFDHZLVHCFNSLL-GOSISDBHSA-N 400.544 3.671 0 50 HHAA CC(C)(C)OC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2555079 FODJWPHPWBKDON-LJQANCHMSA-N 411.454 3.710 0 50 HHAA in-vitro Cc1ccc(CONC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 2794412 ROZSAGFLOWVZHC-UHFFFAOYSA-N 400.276 3.864 0 50 HHAA CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)CC1 4933444 KWDUCQQXKNCBKT-UHFFFAOYSA-N 415.921 3.725 0 50 HHAA CCc1c(C)sc2nc(S)n(NC(=O)CSCc3ccc(C)cc3)c(=O)c12 6489845 UWRRYBORCVBJJF-UHFFFAOYSA-N 419.597 3.929 0 50 HHAA CC(C)Cc1cc(CN2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)n[nH]1 11819684 MVWDADHGUKGYCJ-QFIPXVFZSA-N 406.534 3.787 0 50 HHAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(C)o3)C2)cc1F 12385721 FUVNVTCMPIFZHI-INIZCTEOSA-N 402.466 3.685 0 50 HHAA O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1cnc2ccccn12 14989888 SVISKNFSYUEWSB-HSZRJFAPSA-N 412.493 3.586 0 50 HHAA COc1cc(C)ccc1OCc1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)no1 15065703 ZXLSXKZJILGQRS-SFHVURJKSA-N 421.375 3.999 0 50 HHAA COc1cc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)cc(OC)c1OC 19549828 KYRYDSQGHFUSHM-UHFFFAOYSA-N 420.509 3.824 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCN(C(C)=O)CC2)cc1F 20999649 PLKHVIOJNDQHTR-UHFFFAOYSA-N 422.504 3.660 0 50 HHAA Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc(N2CCCCC2)n1 65364416 GSSPHWSDWJHREL-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA CSc1nnc2c(n1)O[C@H](c1c(C)nn(-c3ccccc3)c1O)Nc1ccccc1-2 100445068 ANFZYVWQEIFSGG-GOSISDBHSA-N 418.482 3.963 0 50 HHAA O=C(NCCn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1F 169754439 PJIBIFULMPECOJ-UHFFFAOYSA-N 420.400 3.503 0 50 HHAA COc1ccccc1N1CCCN(c2ncnc3c2cnn3-c2ccccc2)CC1 207230601 UBPDZSOJWGTGPP-UHFFFAOYSA-N 400.486 3.541 0 50 HHAA Cc1cc(C)n(-c2cncc(N[C@H](c3ccc(Br)cc3)[C@@H](C)CO)n2)n1 225606391 ZGIJNPODXVHUCP-BUXKBTBVSA-N 416.323 3.823 0 50 HHAA CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 238882122 CKVHTTDFJBGBCN-BZUAXINKSA-N 415.486 3.520 0 50 HHAA biogenic O=C(Nc1ccccc1Cl)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 239203443 SJTPZESSUTXFJT-ZNRKGROKSA-N 422.912 3.921 0 50 HHAA O=C(COc1ccccc1-n1cnnc1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 253396719 BFSOZVOBHFFKNF-KRWDZBQOSA-N 421.888 3.975 0 50 HHAA COc1ccc(Cn2nc(C)c(CNc3cccc(Cn4cncn4)c3)c2C)cc1 463743597 HPBHSCRMDJDHJW-UHFFFAOYSA-N 402.502 3.809 0 50 HHAA COc1cc2c(cc1CNCCc1nc(O)c3c(C)c(C)sc3n1)OCCCO2 952865671 UWBFPKHATDVYJT-UHFFFAOYSA-N 415.515 3.516 0 50 HHAA COc1ccc(CNC(=O)C2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)cc1 952973850 YPFQUZYSLYYZCA-UHFFFAOYSA-N 416.525 3.681 0 50 HHAA O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CC=C(c2cccc3ccccc23)CC1 1464547747 PGWXKUBENTYIJD-MOPGFXCFSA-N 423.456 3.679 0 50 HHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 1506397430 TWKDBQIRPGPANG-KRWDZBQOSA-N 401.894 3.905 0 50 HHAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccccc3NCc3ccccn3)C1)CC2 1704300690 ULKIHQIKNVZKJK-VWLOTQADSA-N 413.525 3.912 0 50 HHAA FC(F)(F)CCN1C[C@@H]2CN(Cc3cncnc3)C[C@]2(CCc2ccccc2)C1 1772811248 SHKZLNAOAAQJSF-RTWAWAEBSA-N 404.480 3.796 0 50 HHAA COc1cccc(C2(CNC(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)CC2)c1 1875361385 YHNGDBJVROFFDJ-OAQYLSRUSA-N 420.509 3.554 0 50 HHAA COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(C)C)c(Cl)c2)Cc2ccccc21 2325819163 XCULAOYUGWQRKI-SFHVURJKSA-N 407.919 3.925 0 50 HHAA COc1ccc(CC(=O)N2CCC[C@@]23CCCN(c2ccc(C)cc2)C3=O)cc1F 2356151878 DUJPBVAGBLLEKJ-XMMPIXPASA-N 410.489 3.873 0 50 HHAA CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc(C(C)C)cc1 856671 ZWSFALBSMHOXLF-XARGGIHNSA-N 418.530 3.753 0 50 HHAA CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)c1 1183264 GQDFKMKTGYXYHG-UHFFFAOYSA-N 409.515 3.788 0 50 HHAA N=C1NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)S1 2949378 FSWQVJWPUVMVBB-WQRHYEAKSA-N 410.476 3.746 0 50 HHAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)c(OC)c1OC 9087357 PEHRXKGETOYNJB-LJQANCHMSA-N 423.469 3.914 0 50 HHAA O=C(c1n[nH]c2ccccc12)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 11935484 IUXJRQBVXSUARW-QHCPKHFHSA-N 410.468 3.969 0 50 HHAA O=C(c1cc(COc2cncc(Cl)c2)on1)N1CCCC[C@H]1CCn1cccn1 12056675 UAEDWGTZEHJHDF-INIZCTEOSA-N 415.881 3.584 0 50 HHAA COc1ccccc1/C=C/CN1CCC[C@@H](CNC(=O)c2n[nH]c3ccccc23)C1 12316991 NGSVQXLDIUZZGZ-HKMNZKMDSA-N 404.514 3.727 0 50 HHAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3ccc(O)c(Cl)c3)C2)CC1 12574391 YVPCCGKLTFHSNH-KRWDZBQOSA-N 407.986 3.590 0 50 HHAA O=C(NC1(c2ccccc2)CC1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12752682 WJZTXVYZDGCWPA-UHFFFAOYSA-N 404.510 3.886 0 50 HHAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 14749982 GXAHJEHNXVAFIS-VXKWHMMOSA-N 421.585 3.950 0 50 HHAA Cc1c(C(=O)N2CCC[C@H](O)C2)sc2ncnc(NCCC3=CCCCC3)c12 14886770 GJSCZTACKFCANT-INIZCTEOSA-N 400.548 3.899 0 50 HHAA CC[C@H](C)C(=O)C(=O)NC[C@@H]1Cc2cc(-c3ccnc(SC)n3)cc(Cl)c2O1 14991882 IXCALMQEKKMWMY-FZMZJTMJSA-N 419.934 3.554 0 50 HHAA COc1ccc([C@H](CC(=O)N2CCC(N3CCOCC3)CC2)c2ccccc2)cc1 19536285 ZTQSWFJYUMRDTB-XMMPIXPASA-N 408.542 3.540 0 50 HHAA COc1ccc(CNCCc2ccc(Cl)cc2)cc1OC[C@H](O)CN(C)C(C)C 20540988 HEUKXOKVPPEXSL-OAQYLSRUSA-N 420.981 3.761 0 50 HHAA CCn1ccc(CN(CCc2c[nH]c3ccccc23)S(=O)(=O)c2cccs2)n1 20608149 WFUBWDSTDVHAKJ-UHFFFAOYSA-N 414.556 3.879 0 50 HHAA FC(F)(F)c1cccc(-c2cnnc(NCC3(N4CCOCC4)CCCC3)n2)c1 20773780 OFKDYCZEBBEZTB-UHFFFAOYSA-N 407.440 3.614 0 50 HHAA Cc1ccc(Nc2nc(N)nc(CN3CCN(c4cccc(Cl)c4)CC3)n2)cc1C 54147017 JBOGPIGXPMPABH-UHFFFAOYSA-N 423.952 3.790 0 50 HHAA CCS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2ccccn2)n1CCc1ccccc1 55368925 TZRFNGZTHGLJEB-SFHVURJKSA-N 412.559 3.507 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc(N(C)C)cc4)C3)[nH]n2)cc1 169753924 IONLKFVBOIJSRF-IBGZPJMESA-N 419.529 3.550 0 50 HHAA Cc1nc(NC(=O)c2ccc(C(F)(F)F)nc2C)ccc1I 170654486 WHQQRBCCQWWZPC-UHFFFAOYSA-N 421.160 3.969 0 50 HHAA O=C(Cc1cccc(F)c1)Nc1cnn(-c2ccc(C(=O)NCc3ccco3)cc2)c1 299784553 OWERHXACLPSCTN-UHFFFAOYSA-N 418.428 3.716 0 50 HHAA Oc1ccc2c(c1)C1(CC1)CN(C[C@H](O)COc1cc(F)cc(Br)c1)C2 463425643 JYCOLFLVULCASE-KRWDZBQOSA-N 422.294 3.581 0 50 HHAA Cc1ccc(Br)cc1C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 484164934 RNADQLLYNOLETR-OAHLLOKOSA-N 401.304 3.883 0 50 HHAA COc1ccc([C@@H](NC(=O)c2cn(C)c3ccc(C)cc3c2=O)c2ccncc2)cc1 670437272 NLRWHEZRPYXRIO-HSZRJFAPSA-N 413.477 3.770 0 50 HHAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)cc1 1857733736 WQCXTVFSFHYZJZ-POMLREGLSA-N 404.554 3.767 0 50 HHAA COc1cc(Oc2ccccc2)ccc1NC(=O)N[C@H]1CC[C@@H](S(C)(=O)=O)CC1 1875327235 QMPNIADSXRIZFY-RHNCMZPLSA-N 418.515 3.965 0 50 HHAA O=C(c1cc(Br)co1)N1CCCN(C(=O)C2(CC3CCC3)CC2)CC1 2325827452 GPFVSYPEUFRAEC-UHFFFAOYSA-N 409.324 3.687 0 50 HHAA COc1cc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cc(OC)c1OC 709073 XAFCDPLDDQDSCU-UHFFFAOYSA-N 407.776 3.528 0 50 HHAA CCOC(=O)c1cccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c1 846861 DDRLEYDJELMLJI-IBGZPJMESA-N 408.454 3.513 0 50 HHAA CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccc(C)cc3)S2)cc1 1308154 ISZZIWDUAIYMNU-QGZVFWFLSA-N 411.483 3.610 0 50 HHAA COc1ccccc1OCc1ccc(C(=O)Nc2ncn(Cc3ccccc3F)n2)o1 2795743 JSPNGKJATKRVAX-UHFFFAOYSA-N 422.416 3.898 0 50 HHAA COc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CCCCCC2)cc1OC 4756064 FRNWEWGYVHDTSN-OBGWFSINSA-N 414.527 3.939 0 50 HHAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)c1 11784937 XNORGPHZIHENGP-KRWDZBQOSA-N 407.518 3.866 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 11957540 FZJTVXAOSZNAMM-HSZRJFAPSA-N 410.606 3.949 0 50 HHAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@H]2CC23CCC3)CC1 14975549 WTXACRMCECFJTJ-HXUWFJFHSA-N 422.529 3.644 0 50 HHAA Cc1c(C(=O)NCCc2ccc(F)cc2)sc2ncnc(NC[C@@H]3CCCO3)c12 14977133 MHGAEWFEXOFHJL-INIZCTEOSA-N 414.506 3.702 0 50 HHAA COc1cc(-c2nc(CN3CCCC[C@H]3CCN3CCOCC3)c(C)o2)ccc1F 20452191 FCPCYMRLYAZMKP-IBGZPJMESA-N 417.525 3.875 0 50 HHAA O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1ccccc1NCc1cccs1 55309717 AQQXOKZXSHGTIN-UHFFFAOYSA-N 404.499 3.513 0 50 HHAA O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 56896260 YWRYVRRBDUZEOE-QHCPKHFHSA-N 422.479 3.653 0 50 HHAA CCOc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)n1 170624939 BIIDITDSWPNINO-LSDHHAIUSA-N 421.328 3.634 0 50 HHAA CC[C@H](C)[C@H](CO)NC(=O)CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OC 230206939 JJRQGLSACBUHNQ-KKSFZXQISA-N 423.509 3.924 0 50 HHAA biogenic Cc1cccc(C2=C/C(=C(/O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)N=N2)c1O 334157920 LVEVQYWPKYGXCH-DPHDRGAJSA-N 415.471 3.517 0 50 HHAA CCn1cncc1S(=O)(=O)N[C@@H](c1cccc(SC)c1)c1cc(F)ccc1F 433819727 QXYHGZHMGWAIHN-IBGZPJMESA-N 423.510 3.971 0 50 HHAA O[C@H](CNCC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1C(F)(F)F 920426105 IFHZOXKYDWKWBL-GOSISDBHSA-N 423.431 3.806 0 50 HHAA CCc1c(C)nn(-c2cccc(C(=O)N[C@H](C(N)=O)c3ccc(Cl)cc3)c2)c1C 1337646807 UANCJQHGSJYDPH-FQEVSTJZSA-N 410.905 3.661 0 50 HHAA C[C@H]1[C@H](NC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)CCCN1C 1775960434 LHAWGQHGUIVIIJ-QFBILLFUSA-N 413.541 3.588 0 50 HHAA Cn1nc(-c2cccs2)cc1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857711391 WWAUGBQQZYPHIM-UHFFFAOYSA-N 403.511 3.780 0 50 HHAA CC(C)Oc1ccc2c(c1)[C@@H](NC(=O)NCCn1ncc3ccccc3c1=O)CCC2 1875253031 TUWUGXGTDDHUBC-QFIPXVFZSA-N 420.513 3.561 0 50 HHAA CC[C@@](COC)(NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875345286 UOGLDACEHIEYOB-NRFANRHFSA-N 415.421 3.944 0 50 HHAA CC(=O)c1ccc(NC(=S)NC(=O)COc2ccc(Br)cc2)cc1 678442 GKWFGAOOHYNNLY-UHFFFAOYSA-N 407.289 3.544 0 50 HHAA Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CCCCC2)cc1 1115055 MRSMMOYESFNASQ-QFIPXVFZSA-N 412.555 3.560 0 50 HHAA COc1ccc(NC(=O)c2cccs2)cc1C(=O)N1CCN(c2ccccc2)CC1 2259756 NOGZIGIXGXVJBA-UHFFFAOYSA-N 421.522 3.971 0 50 HHAA COC(=O)c1ccc(N2CCC(C)CC2)c(NC(=O)c2cnc3ccccc3n2)c1 4709133 NTYGLLWEXWYTRO-UHFFFAOYSA-N 404.470 3.905 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1NS(=O)(=O)c1ccccc1 4809400 NLFQQAKEVDRIIV-UHFFFAOYSA-N 410.451 3.511 0 50 HHAA Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)c1 11697689 JFSJGDGAMLTGCR-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA C[C@@H](C(=O)N1CCC2(CC[C@H](CNC(=O)c3ccccc3F)O2)CC1)c1ccccc1 11839085 OUTKEDCLMTYECI-UYAOXDASSA-N 424.516 3.899 0 50 HHAA Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 11873270 NNFRFOKLIKWDQB-QFIPXVFZSA-N 408.498 3.792 0 50 HHAA COc1ccc(CCN2CCC(CN(C)C(=O)[C@@H]3CCOC(C)(C)C3)CC2)cc1 12387170 GMVKFZRLCQIKMV-OAQYLSRUSA-N 402.579 3.613 0 50 HHAA COc1ccc(CCN2C(=O)CC[C@@H]3CN(C/C=C/c4ccco4)CC[C@@H]32)cc1OC 14992125 CUVIFGFAZQZYHF-MWAHVKNJSA-N 424.541 3.866 0 50 HHAA CCCn1ncc(CN(CCOC)C[C@H]2CCCN(C3Cc4ccccc4C3)C2)c1C 23339007 KNEUWWJXHVRGKI-JOCHJYFZSA-N 424.633 3.929 0 50 HHAA Cc1oc(-c2cc(F)ccc2F)nc1CN1CCNC(=O)[C@@H]1c1ccc(F)cc1 39478575 NHSWXJYAMPRELA-IBGZPJMESA-N 401.388 3.740 0 50 HHAA COc1ccc(CCn2c(C)cc(C(=O)Cn3ccc4ccncc4c3=O)c2C)cc1 225544924 LWEBFJXXEXRZTJ-UHFFFAOYSA-N 415.493 3.949 0 50 HHAA COc1cccc(-n2cnnc2S[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 252445429 XQCWSWGJDUHJSG-MZZPOWALSA-N 400.548 3.697 0 50 HHAA COc1ccc(-c2ccc(C(=O)NCCc3csc(-c4ncccn4)n3)o2)cc1 952985811 DPXRNLNQNDFBDK-UHFFFAOYSA-N 406.467 3.841 0 50 HHAA COC(=O)[C@@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)c1cccc(OC)c1 1437728692 HKLFOURJUVRDRT-ACJLOTCBSA-N 409.404 3.923 0 50 HHAA COc1cccc(-c2ncc(-c3nccn3CC3(CN4CCN(C)CC4)CC3)s2)c1 1857704159 GKAFFPRJRVOYKN-UHFFFAOYSA-N 423.586 3.710 0 50 HHAA CN(CCCOc1ccc(Br)cc1)C(=O)c1ccc2nc(O)oc2c1 2325853582 VRIOZOKZFSOWAR-UHFFFAOYSA-N 405.248 3.837 0 50 HHAA Cc1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 857014 ALARYBBLMLTYLU-UHFFFAOYSA-N 422.550 3.811 0 50 HHAA CCOC(=O)c1sc(NC(=O)c2cc(OC)cc(OC)c2)c(C(=O)OCC)c1C 951807 GUDVHHVIQPBCIP-UHFFFAOYSA-N 421.471 3.679 0 50 HHAA Cc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c(C)c1I 1432669 RCOAKRIFIVTHBR-UHFFFAOYSA-N 407.614 3.536 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1cc(C(F)(F)F)ccc1Cl 2993108 YXWAEORXMVGTRK-UHFFFAOYSA-N 424.803 3.903 0 50 HHAA Cc1ccn2c(=O)cc(COc3ccc(NC(=O)c4ccccc4F)cc3)nc2c1 8860266 RFMFKXGEQITUEG-UHFFFAOYSA-N 403.413 3.973 0 50 HHAA CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 9859193 BZOHZBOHUUVBEL-UHFFFAOYSA-N 415.496 3.760 0 50 HHAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@]2(CCCN(CCc3ccccc3)C2)C1 11663448 GSKRPYDSLLVIOX-FQEVSTJZSA-N 406.452 3.599 0 50 HHAA CCn1ccnc1CN1CCC(CCC(=O)Nc2ccc(OC)cc2OC)CC1 11664691 RZRSCBFAAYGXGT-UHFFFAOYSA-N 400.523 3.551 0 50 HHAA Cc1cccc2c(N3CCCC3)nc(CNS(=O)(=O)c3ccccc3Cl)nc12 12048180 QNJHJVZTGORBKJ-UHFFFAOYSA-N 416.934 3.670 0 50 HHAA CCc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3ccccc3Cl)C2)cc1 12315094 NOPBEBBPGMEYQV-KRWDZBQOSA-N 420.962 3.733 0 50 HHAA CC1CCN(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)CC1 12457329 WUWRFQOWEXGMHV-UHFFFAOYSA-N 407.436 3.556 0 50 HHAA CN(C(=O)c1cc2ccccc2oc1=O)[C@@H]1CCCN(CCCc2ccccc2)C1 14948433 VXOUDUDNWRLPEQ-OAQYLSRUSA-N 404.510 3.962 0 50 HHAA O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2c(Cl)cccc2Cl)CC1 17092589 LWPOPFMYXUFQBJ-UHFFFAOYSA-N 421.296 3.778 0 50 HHAA C[C@H](CNC(=O)/C=C/c1ccccc1Cl)Oc1cccc(CN2CCOCC2)c1 19742213 QGYUCNIYTRHFIT-QZEKMECESA-N 414.933 3.769 0 50 HHAA CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)cc1 20418663 WASYZVPOBABXIF-KNQAVFIVSA-N 423.488 3.551 0 50 HHAA O=[S@@](CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2nc(O)oc2c1 27299440 FCBQJNCAKZSIAH-MUUNZHRXSA-N 402.491 3.735 0 50 HHAA biogenic,in-man CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)Cn2ccccc2=O)cc1 92027923 FHHNIBYMVZDKTH-FQEVSTJZSA-N 404.514 3.525 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccccc1Br 100644048 RPVMHUDOLYOYSK-KRWDZBQOSA-N 417.328 3.942 0 50 HHAA CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Oc2ccccc2)cc1 101222358 SADXMMXPSUCKQC-FIKGOQFSSA-N 414.527 3.550 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)cc1 169758360 GDXVZKMTBMYFJT-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 170623164 WNZZQJHWECFULT-UHFFFAOYSA-N 414.412 3.909 0 50 HHAA COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239433949 YUIOLTJERQAJEI-SPWRWSGRSA-N 414.461 3.505 0 50 HHAA O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 328606100 QLPQMVNUGQQGPC-NZQKXSOJSA-N 415.449 3.754 0 50 HHAA Cc1cccc(-c2cccc(CNC(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)c2)c1 478285308 RQCFLRFPGIHXRD-RUZDIDTESA-N 413.477 3.647 0 50 HHAA Cc1ccccc1OC[C@H]1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 952963960 LIVKVSLZYPVOQL-KRWDZBQOSA-N 413.495 3.581 0 50 HHAA COc1ccc(-n2ccnc2CN2C[C@@H]3CNC[C@@]3(CCc3ccccc3)C2)cc1 1772813187 VCCXGZXOHVVEEC-OFVILXPXSA-N 402.542 3.535 0 50 HHAA CCCCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1 1775971566 WLBHQDTVDGKEIU-UHFFFAOYSA-N 402.560 3.993 0 50 HHAA O=C([C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)N1CCC(Nc2cccnc2)CC1 1875255708 HZGNPLWVXHGXMP-LJQANCHMSA-N 419.312 3.985 0 50 HHAA C[C@@H](C(=O)NCc1ccc(-c2ccc(O)cc2)cc1)n1cc(Br)cn1 1875263624 MBYQTNQISLOKER-ZDUSSCGKSA-N 400.276 3.896 0 50 HHAA O=C(c1ccc(N2CCC(O)CC2)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325822906 VQWUDJMQRSDWSR-UHFFFAOYSA-N 414.933 3.985 0 50 HHAA Cn1ncc(C(=O)N[C@@H]2COc3cc(Br)ccc32)c1Cc1ccccc1 2325840536 DTEKMXMLNXVELD-QGZVFWFLSA-N 412.287 3.637 0 50 HHAA CC(=O)N[C@H](c1cccc(Br)c1)c1nc(Cc2cnc(C3CC3)o2)no1 2325850198 OUIZUKYKQHHWPY-MRXNPFEDSA-N 417.263 3.514 0 50 HHAA Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 1074104 WMUUVUUHEQLTOL-UHFFFAOYSA-N 423.420 3.909 0 50 HHAA O=C(NCCNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 3671798 UQTFZRGKXNDWQS-UHFFFAOYSA-N 404.310 3.884 0 50 HHAA CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@@H](CNC(=O)CN(C)C)C4)s1 11963919 WKSGMSTYHXWBLH-QGZVFWFLSA-N 408.523 3.752 0 50 HHAA CN(Cc1ccccc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 14964118 LFEYNHGUMDTGQU-HSZRJFAPSA-N 401.510 3.814 0 50 HHAA Cc1cc(=O)c(C(=O)N2CCCCC2)c(CCc2ccccc2)n1C[C@H]1CCCO1 14964154 FCRPLOXQHJQNCN-OAQYLSRUSA-N 408.542 3.747 0 50 HHAA CC(C)(C)OC(=O)Oc1cc(I)cnc1Br 35270529 WRKKGHFAKXJOJK-UHFFFAOYSA-N 400.010 3.763 0 50 HHAA in-vitro Cc1oc(-c2cc(F)ccc2F)nc1CN1CCNC(=O)[C@H]1c1ccc(F)cc1 39478576 NHSWXJYAMPRELA-LJQANCHMSA-N 401.388 3.740 0 50 HHAA O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 95504563 VQZFLEKRCNEFNP-QGZVFWFLSA-N 402.491 3.635 0 50 HHAA CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1 169753609 ZHFZAQFHUCIPKL-HXUWFJFHSA-N 421.476 3.573 0 50 HHAA CCC(CC)n1ncc(C(=O)N2C[C@H](OC)C[C@H]2c2nc(-c3cccnc3)c[nH]2)c1C 170591184 UOGKXOYZMRGASA-NQIIRXRSSA-N 422.533 3.940 0 50 HHAA Cn1ccc(N2CCC[C@@H](NC(=O)C3(c4cccc(Cl)c4)CCCCC3)C2=O)n1 460424347 JFJBJELHBNZNSD-GOSISDBHSA-N 414.937 3.587 0 50 HHAA CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@@H]2CCC(F)(F)C2)CC1 480092446 HQQXFTQHRMJIKC-CYBMUJFWSA-N 405.411 3.509 0 50 HHAA Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCO[C@@]2(CCCOC2)C1 483877426 RKCIMRGYPCVLRM-IBGZPJMESA-N 424.423 3.519 0 50 HHAA C[C@H](O)c1ncc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)s1 877843219 JSICUOPKNGKRGB-BUXKBTBVSA-N 409.467 3.692 0 50 HHAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 952982374 WPUSMNVXACSKPI-IBGZPJMESA-N 418.559 3.758 0 50 HHAA CC[C@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N1Cc2ccccc2C1=O 952986286 ZFWYYGBICLNMCT-JOCHJYFZSA-N 407.514 3.533 0 50 HHAA C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccnn1-c1ccccn1 1273687605 AQOIHBGZBSBJDE-GFCCVEGCSA-N 403.255 3.986 0 50 HHAA COc1ccccc1-c1ncc(CN2CCC[C@]3(CCc4cnc(N)nc43)C2)s1 1704301167 NGUBWTORYVMZDT-QFIPXVFZSA-N 407.543 3.671 0 50 HHAA O=C(c1cnccn1)N1CCN(c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1 1875260362 UKUVDGFCLQGKJP-UHFFFAOYSA-N 407.905 3.519 0 50 HHAA C[C@@H](NC(=O)Nc1cccc(-c2ccc(O)nn2)c1)c1cccc(N2CCOC2=O)c1 2325724608 RKRCVINKWJLANP-CQSZACIVSA-N 419.441 3.689 0 50 HHAA C[C@](CC(=O)NCc1nc(-c2ccncc2)cs1)(C(=O)O)c1ccc(Cl)cc1 2325851766 IQLRUPRIAKHCNR-HXUWFJFHSA-N 415.902 3.907 0 50 HHAA CC(C)[C@H](NC(=O)c1n[nH]c2cc(OC(F)(F)F)ccc12)[C@@H](O)c1ccccc1 2325876136 LICNFMYYINXICH-WMZOPIPTSA-N 407.392 3.950 0 50 HHAA COc1ccc(-c2nnc(SCC(=O)O)n2-c2ccc(Br)cc2)cc1 625337 CZCCUFIGDLENEP-UHFFFAOYSA-N 420.288 3.882 0 50 HHAA COc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1Cl 644609 NVCIMJHEZSVCPY-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA COc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 817171 XQNJLTQXMRQAMH-LBPRGKRZSA-N 416.421 3.507 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccc(I)cc2C)cc1C 1115280 WHWAVNNVIGLQHZ-UHFFFAOYSA-N 417.268 3.717 0 50 HHAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 2991299 WWAXHSXSYTULGU-UHFFFAOYSA-N 413.543 3.829 0 50 HHAA COc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3nc(C)c(C)s3)n2C)c1 4736336 YJHKVKHMUUBVPS-GFCCVEGCSA-N 403.533 3.683 0 50 HHAA COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)c(Cl)c2)cc1 5049750 UTJXESOPEQJCKJ-LJQANCHMSA-N 416.861 3.729 0 50 HHAA CC[C@@H](C(=O)NC1CCCCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 6944380 LRNFEKRJDSXNBJ-IBGZPJMESA-N 407.518 3.599 0 50 HHAA Cc1cccc(N(C)S(=O)(=O)c2c(C(=O)N3CCCCCC3)c(C)n(C)c2C)c1 8605118 FIJBVOFYGTWJKD-UHFFFAOYSA-N 417.575 3.792 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C(C)C)cc3)CC2)cc1 10288780 QIZHEDPTALTZFV-UHFFFAOYSA-N 414.571 3.584 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(Cc3cccc4ncccc34)CC2)O1)c1ccco1 11912631 QEPPGAFXEHJOCG-IBGZPJMESA-N 405.498 3.771 0 50 HHAA COC(=O)c1ccccc1C(=O)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 11948128 RGMCFRLAEMIYLB-UHFFFAOYSA-N 401.890 3.584 0 50 HHAA COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[nH]1 11990954 XGZQQOZUXVLYIL-UHFFFAOYSA-N 416.890 3.533 0 50 HHAA CC[C@@H]1CCCCN1Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 12037957 DJCLUIPQOMNOFA-MRXNPFEDSA-N 410.543 3.679 0 50 HHAA Cc1cc(C(=O)NCc2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)c(C)o1 12183390 PSIJCWKREJNALJ-UHFFFAOYSA-N 421.545 3.600 0 50 HHAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc2nccnc2c1 12192668 HSVDMBYPYUTLGV-GOSISDBHSA-N 406.505 3.796 0 50 HHAA Cc1noc(C)c1CCC(=O)N1CCC[C@H](CNC(=O)c2ccccc2Cl)C1 12194106 LAPRXYGVXCFEOA-MRXNPFEDSA-N 403.910 3.546 0 50 HHAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)c3scnc3C)C2)cc(OC)c1 12373547 RFRXWUVHBVPENC-HNNXBMFYSA-N 417.531 3.740 0 50 HHAA O=C(NCCC1=CCCCC1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 20211118 DZDLSWDSFBPYGT-UHFFFAOYSA-N 408.546 3.613 0 50 HHAA Cc1ccc(CN2CCC(C(=O)NCc3nc(-c4ccccc4C)no3)CC2)cc1 67612775 GLVYWMDAIKAPEW-UHFFFAOYSA-N 404.514 3.882 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c(C)c1 67613613 WRIAWRIJOFHUNL-UHFFFAOYSA-N 419.533 3.559 0 50 HHAA CC1(C(=O)N2CCc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3C2)CC1 77406233 UJQDRTRIQXYWED-UHFFFAOYSA-N 410.539 3.513 0 50 HHAA CCOc1cccc(-c2noc(-c3nnn4c3CO[C@@H](c3ccc(F)cc3)C4)n2)c1 169758271 YTFSMDMTUDIOFX-GOSISDBHSA-N 407.405 3.804 0 50 HHAA O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@H]([C@H]3CCOC3)C2)cc1 442209757 SSDMWZPBWAJGBF-SFTDATJTSA-N 407.514 3.549 0 50 HHAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1csc3c1CCCC3)CC2 497602518 HAOLYEILXHRQGW-KRWDZBQOSA-N 415.511 3.858 0 50 HHAA O=C(CSC12CC3CC(CC(C3)C1)C2)N[C@@H]1CCCN(C(=O)c2ccco2)C1 828012959 BYNLDJKBFZBUIB-DQYWGJDHSA-N 402.560 3.702 0 50 HHAA Cc1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)ccc1NC(=O)CN(C)C 952976321 FCCFUUDLOYZDIB-ZDUSSCGKSA-N 407.873 3.694 0 50 HHAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(-n4cccn4)ccc3Cl)C1)CC2 1704305999 YTXXTCGWNHVRMW-QFIPXVFZSA-N 407.905 3.744 0 50 HHAA CC(C)c1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4cccnc4)[C@H]4CC[C@]3(C2)O4)cc1 1704344395 NAZGLOUBOUTELS-XJTUCQONSA-N 405.542 3.614 0 50 HHAA O=C1CC[C@H](Nc2ncnc3scc(Br)c23)[C@@H](c2ccccc2)N1 1857529940 JBWQQUVUACTKJF-SWLSCSKDSA-N 403.305 3.886 0 50 HHAA CC(C)N=c1[nH]c(-c2ccccc2)nc2c1CCC21CCN(C2CCN(C)CC2)CC1 1857681776 NKIYXPVWMVKVEY-UHFFFAOYSA-N 419.617 3.760 0 50 HHAA CC[C@H](C)NC(=O)c1ccc(NC(=O)N=c2ccn(Cc3ccccc3C)[nH]2)cc1 1875329313 QBHTVIYYTSWUEG-KRWDZBQOSA-N 405.502 3.834 0 50 HHAA CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 1875336719 LRIQOCZXIIABKN-IRLDBZIGSA-N 414.933 3.913 0 50 HHAA CCn1ncc2ccc(NC(=O)C[C@H](CN)c3ccc(Br)s3)cc21 2325862287 OWIYHEYTCHTEOK-GFCCVEGCSA-N 407.337 3.951 0 50 HHAA O=C(O)C[C@H](NC(=O)Cn1ccc2ccc(Br)cc21)c1cccc(F)c1 2325875878 DQCVLNCTMGKUBW-INIZCTEOSA-N 419.250 3.875 0 50 HHAA O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 792462 XQEGIPMYQISJQE-UHFFFAOYSA-N 419.374 3.843 0 50 HHAA CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CCCCC1 894792 FOKSXRKLWGQCRA-OAQYLSRUSA-N 407.514 3.706 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(C)cc2)cc1 912609 FAHAGJAKENVARO-UHFFFAOYSA-N 416.543 3.602 0 50 HHAA CC[C@H](c1nnc(S)n1-c1cnn(Cc2ccc(C)cc2)c1)n1cc(Cl)cn1 2808773 NFEHTLVFRURJSS-QGZVFWFLSA-N 413.938 3.959 0 50 HHAA C[C@H](Sc1nnc(NC(=O)c2ccccc2)s1)c1nc2ccccc2c(=O)[nH]1 4741531 SOJQWOIKLIXYQZ-NSHDSACASA-N 409.496 3.880 0 50 HHAA CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1 8856741 BTEDUBKNIZDSTJ-UHFFFAOYSA-N 422.557 3.549 0 50 HHAA CSc1ncccc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccc(C)o2)C1 12075082 NWKZZFDCFORIMZ-MRXNPFEDSA-N 401.532 3.654 0 50 HHAA CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 12123435 HPJJZRLNQVABJH-LJQANCHMSA-N 411.575 3.774 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(OC)c(OC)c3OC)C2)cc1F 12200979 FANWZABIYGJGJQ-INIZCTEOSA-N 417.477 3.955 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)C1 12298796 SNJWHKLQKOVAAM-SFHVURJKSA-N 415.534 3.748 0 50 HHAA CCN(CC)[C@@H]1CCN(C(=O)c2cc(COc3ccc(OC)c4ccccc34)on2)C1 12303510 PIIGAWLGQYXMTR-QGZVFWFLSA-N 423.513 3.972 0 50 HHAA CCOC(=O)C[C@H]1CCCCN1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 12463859 KIWJOBVYQQPLPN-MRXNPFEDSA-N 411.424 3.987 0 50 HHAA O=C1N[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 13807218 DJBWFJHVCRDNDT-CKEIUWERSA-N 416.758 3.583 0 50 HHAA COC(=O)CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1 14969664 LSTUUYHFXPIJPE-GOSISDBHSA-N 412.461 3.623 0 50 HHAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@H]2CC=CCC2)CC1 14979114 VKSLOFARSOBRRO-FQEVSTJZSA-N 406.530 3.974 0 50 HHAA NC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCc1ccccc1-2 17093988 WSSQOBWVDYQCNW-CXMPNGEBSA-N 424.522 3.688 0 50 HHAA Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]1 20118877 SZLBVUUAVYIHAO-HNNXBMFYSA-N 406.404 3.746 0 50 HHAA COc1ccc(CCN2CCC[C@H](CN(C)Cc3c(C)nn(C)c3Cl)C2)cc1 20211469 AOYMBJJKCTVGFX-LJQANCHMSA-N 404.986 3.777 0 50 HHAA COc1cc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc(OC)c1 20218850 KGRDXRXLGKAXQP-UHFFFAOYSA-N 406.243 3.510 0 50 HHAA CC(C)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1CCO 22919854 ROBMEYMLOXIAHC-DEOSSOPVSA-N 404.558 3.816 0 50 HHAA CCn1cncc1CN1C[C@@H]2C[C@H]1C(=O)N2c1cc(-c2ccccc2)ccc1OC 77320797 YUQGPKRKKVWHQQ-UGKGYDQZSA-N 402.498 3.568 0 50 HHAA Cc1ccc(C(=O)NCCn2ccn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1 169775805 BINHYAITNIWULA-UHFFFAOYSA-N 400.482 3.518 0 50 HHAA CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 170597465 KIDNJHVEOHEFJF-NRFANRHFSA-N 417.594 3.906 0 50 HHAA O=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 252490876 LDSKDBBTQYHYHU-UHFFFAOYSA-N 417.296 3.887 0 50 HHAA CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2n1C 253394326 AMMPNECJVSNQEP-YCRPNKLZSA-N 408.477 3.579 0 50 HHAA COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccccc3OC)n2)cc1OC 263618663 UWPMYNIRSFILFE-MRXNPFEDSA-N 409.442 3.740 0 50 HHAA CCn1cnc2c(N[C@@H](c3ccc(C)cc3)c3cccc(S(C)(=O)=O)c3)ncnc21 462957551 MQNMZBGIDZJAMZ-IBGZPJMESA-N 421.526 3.760 0 50 HHAA O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(O)(Cc2ccc(F)cc2)CC1 483312258 HGRXLDKWUONVLB-FCHUYYIVSA-N 412.505 3.825 0 50 HHAA Cc1ccncc1[C@H](C)OC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 773944279 NAMXGEFNODPENS-HNNXBMFYSA-N 421.478 3.869 0 50 HHAA CC(C)c1noc([C@H](C)NC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)n1 828182606 HVVQFWVMOANRNT-HNNXBMFYSA-N 413.499 3.658 0 50 HHAA c1cc2cc(c1)[C@H]1c3ccc(cc3CCN1CC1CC1)OCc1cn(nn1)CCCO2 952866942 HCAFNMOIKBFWER-VWLOTQADSA-N 416.525 3.997 0 50 HHAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(CN(C)C)cc1 952981392 MMAQTCINNVYCJQ-JOCHJYFZSA-N 424.570 3.768 0 50 HHAA Cc1cc(Cl)ccc1OCCN1CCN(Cc2cc(-c3ccncc3)no2)CC1 1506397308 RMXXLZGKUDFDCA-UHFFFAOYSA-N 412.921 3.895 0 50 HHAA CCOc1cc(Cl)c(CN2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)cc1OCC 1529172785 OJWYZIYIICFMBX-CTNGQTDRSA-N 410.942 3.508 0 50 HHAA O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H](C(F)(F)F)O1 1857779873 UZKWTMYGUSOZHA-ROUUACIJSA-N 421.371 3.652 0 50 HHAA CC[C@H]1CN(CC(=O)NC(c2ccccc2)c2ccccc2)C[C@@]2(CCCOC2)O1 1875262771 KLBYOAWWLLZDAH-WIOPSUGQSA-N 408.542 3.552 0 50 HHAA Cc1cc(C(F)(F)F)nn1CC(=O)NCC(C)(C)c1coc(-c2ccccc2)n1 1875316565 ZOAUQCGZVZXPHI-UHFFFAOYSA-N 406.408 3.959 0 50 HHAA CCOC(=O)c1c(NC(=O)CCC(=O)N2CCCCC2)sc2c1CC(C)(C)OC2 813621 OTDZRHJBRYVLJV-UHFFFAOYSA-N 422.547 3.507 0 50 HHAA COc1cccc(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)c1 1154917 UADHEAKSDPAAFC-INIZCTEOSA-N 414.527 3.797 0 50 HHAA CCOc1ccc(C(=O)NC(=S)Nc2cccc(OC)c2)cc1Br 1173288 FCNPGCVRUKPNPE-UHFFFAOYSA-N 409.305 3.983 0 50 HHAA Cn1c2ccccc2c2nnc(SCC(=O)Nc3nc4ccccc4s3)nc21 2776370 NANRFKSCJAFTFD-UHFFFAOYSA-N 406.496 3.857 0 50 HHAA Cc1cc2c(=O)n(NC(=O)[C@H](C)n3nc(C(F)F)c(Cl)c3C)c(C)nc2s1 2777575 QKELTMKCPQYVNK-QMMMGPOBSA-N 415.853 3.502 0 50 HHAA O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 2857809 DAGYTGGBYWXSKA-JOCHJYFZSA-N 420.490 3.809 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)cc1Br 2980852 ATHNZGMFQZWGDS-UHFFFAOYSA-N 400.685 3.633 0 50 HHAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2c(C)cc(C)[nH]c2=O)cc1 11878823 YEJGJNFOLGZXBF-LJQANCHMSA-N 404.514 3.929 0 50 HHAA CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2cccnc2OC)C1 11932953 NVCYEENAMGANJG-KGUVVTLUSA-N 408.498 3.979 0 50 HHAA COc1ccc(N2C(=O)CN(C(=O)c3ccc(F)cc3F)CC23CCCC3)cc1 11978475 XZEMTTGCJQFOOL-UHFFFAOYSA-N 400.425 3.775 0 50 HHAA CCN(CC)CCN(C)C(=O)c1sc2ncnc(NCc3ccco3)c2c1C 12185511 ABRFVMPUWIKJIK-UHFFFAOYSA-N 401.536 3.619 0 50 HHAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H]2CCCN(C)C2)CC1 12755373 MESXQNNJHQLMGC-QHCPKHFHSA-N 415.622 3.734 0 50 HHAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)CC(C)C)c2C2CC2)n1 14998886 MZFFMZNIDWBVDZ-UHFFFAOYSA-N 405.502 3.943 0 50 HHAA CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 14999868 FFLFRZMXDFHKMH-OAQYLSRUSA-N 408.464 3.869 0 50 HHAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4nccn4C)C3)cc2)c1 15065537 MZZVNPBWTWSPEF-HXUWFJFHSA-N 404.514 3.946 0 50 HHAA O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Br 52537596 LCYJLYCXOIGKSH-UHFFFAOYSA-N 408.727 3.863 0 50 HHAA COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 253498939 BCPZDSVCYKERMU-GSIFGDBXSA-N 420.590 3.745 0 50 HHAA biogenic O=C(N[C@H]1CCc2ccccc21)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263619686 ZZMSFCBNQJHBQE-RXVVDRJESA-N 415.541 3.628 0 50 HHAA CC1(C)C(O)=Nc2ccccc2N1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 328594118 RFNJUUOLZJPKRE-UHFFFAOYSA-N 415.393 3.598 0 50 HHAA CCS(=O)(=O)Nc1ccccc1C1=NN(C(C)=O)[C@H](c2ccc(F)cc2Cl)C1 408525560 BFFNSQDIXKRBPD-IBGZPJMESA-N 423.897 3.938 0 50 HHAA O=C(C1CCN(c2noc3ccc(Cl)cc23)CC1)N1CC[C@H]([C@H]2CCOC2)C1 486799763 WTXOVLVMEUSFDV-HOTGVXAUSA-N 403.910 3.583 0 50 HHAA O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1cccc(-c2ccc(F)cc2)c1 670448095 NCBQIPQDUYYKDK-QHCPKHFHSA-N 405.473 3.691 0 50 HHAA O=C1CN(/C=C/c2ccccc2)C(=O)N1C[C@H](O)COc1cccc2ccccc12 749264045 ZMJCKIDWWYFSND-AIGDTVQASA-N 402.450 3.515 0 50 HHAA O=C1OCC2(CCN(C(=O)c3ccccc3-c3nc(-c4ccccc4)no3)CC2)O1 952969551 BTOLBZIRGBTLHY-UHFFFAOYSA-N 405.410 3.545 0 50 HHAA Cc1nccn1CC[C@H](NC1CCN(C(=O)c2ccncc2)CC1)c1ccccc1 1506428245 NZTAAXDMXFNEJO-QHCPKHFHSA-N 403.530 3.612 0 50 HHAA O=C(CCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)NC1CCCCCC1 1615740032 QFDRZCVWPWUWET-AUSIDOKSSA-N 423.557 3.528 0 50 HHAA CC1=C(CN2C[C@H]3CN(C(=O)c4cnsc4)C[C@]3(CN(C)C)C2)C(C)(C)CCC1 1772814074 ILXHUMYDCIBOEN-CVDCTZTESA-N 416.635 3.605 0 50 HHAA C[C@H]1[C@@H](NC(=O)N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)CCCN1C 1775960433 LHAWGQHGUIVIIJ-LPHOPBHVSA-N 413.541 3.588 0 50 HHAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)O1 1857713996 HAIIPGYGVUDWCO-WOJBJXKFSA-N 414.571 3.910 0 50 HHAA O=C(N=c1cc(-c2cccc(F)c2)o[nH]1)NC1CCN(c2nc3ccccc3[nH]2)CC1 1875353572 YKWKTIMBAVUUIC-UHFFFAOYSA-N 420.448 3.569 0 50 HHAA C=CC(=O)N[C@@H]1CN(C(=O)C2(c3ccccc3)CCCC2)C[C@H]1c1ccc(OC)cc1 1875383583 ZUPJLNNIBZMIMF-XZOQPEGZSA-N 418.537 3.804 0 50 HHAA CC1(C)C[C@H](NC(=O)c2cc3c(s2)CCOC32CCNCC2)c2ccccc2O1 2356161028 CRNUVAKYWHPPTK-KRWDZBQOSA-N 412.555 3.932 0 50 HHAA O=C(Cn1cnc2c(Br)cc(Br)cc2c1=O)c1ccccc1 639859 ZVHZNBUVHMSSTP-UHFFFAOYSA-N 422.076 3.804 0 50 HHAA CC(=O)Nc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 1141611 PHYNCWBLHRVKDZ-UHFFFAOYSA-N 423.494 3.722 0 50 HHAA COC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 1157791 IKLJUCQRMHTUNI-UHFFFAOYSA-N 407.797 3.727 0 50 HHAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 1188169 VRGGHTCQCXKMQM-IBGZPJMESA-N 415.877 3.932 0 50 HHAA CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O 2572278 QHJLPOSPWKZACG-UHFFFAOYSA-N 409.505 3.559 0 50 HHAA in-man CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 4951835 WXMCSYGIEMTDMJ-ZOVQAKDCSA-N 407.469 3.822 0 50 HHAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1 11816430 GGLZEGTYABZUNU-GOSISDBHSA-N 412.530 3.657 0 50 HHAA COC(=O)CCC(=O)NC[C@@H]1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1 12034793 IEQGKIMHDXAVQO-AWEZNQCLSA-N 421.902 3.644 0 50 HHAA O=C([C@@H]1CC(CCc2ccccc2)=NO1)N1CCCN(c2nc3ccccc3o2)CC1 12245395 UTLGIVUZNJEDHU-QFIPXVFZSA-N 418.497 3.644 0 50 HHAA COc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(C)o3)C2)cc1F 12385722 FUVNVTCMPIFZHI-MRXNPFEDSA-N 402.466 3.685 0 50 HHAA COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2cncn2)c(C)c1C 12702800 IPWPGHRZAGJSDI-DEOSSOPVSA-N 415.497 3.559 0 50 HHAA CCN(CC)C(=O)[C@@H]1C[C@@H](NCc2cccnc2)CN1Cc1cccc2ccccc12 22891831 XIPVFHFLWRLOMP-NOZRDPDXSA-N 416.569 3.836 0 50 HHAA CN1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C[C@@H]1c1ccccc1 22913432 YIGBHCPNGVUMGI-LJQANCHMSA-N 423.586 3.511 0 50 HHAA CCOC(=O)c1sc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)nc1C 36409595 HYMYBAAGDWXACM-UHFFFAOYSA-N 410.908 3.889 0 50 HHAA COc1cc2nc(-c3cc4c(c(OC)c3)OCCN(C(C)=O)C4)cc(C)c2cc1OC 67673351 WPDLJHQPUXNXEX-UHFFFAOYSA-N 422.481 3.977 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1 72152625 UWTNPZMKRDAFFP-SFHVURJKSA-N 402.450 3.902 0 50 HHAA COc1ccccc1-c1nc(-c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)no1 169769285 IJGSIWAUXNWMRC-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA Cc1ccc(C(=O)Nc2cccc(CNC(=O)C(F)(F)C3(O)CCCC3)c2)cc1 170617925 GWEULTFHDGXDSH-UHFFFAOYSA-N 402.441 3.804 0 50 HHAA O=C(COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1)c1ccc(F)cc1 239339053 LQCKGNBDIKFRTN-AEZRXPCCSA-N 417.436 3.645 0 50 HHAA O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCC[C@H]1c1nc2ccccc2s1 252444289 SDGQUGGWDCSSTB-MSOLQXFVSA-N 406.511 3.554 0 50 HHAA CCCCN(C)S(=O)(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 252518038 XVSUSVQBBRRADS-MRXNPFEDSA-N 408.564 3.623 0 50 HHAA COC(=O)c1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc1 253411922 PHNCUILOSDPKJN-GOSISDBHSA-N 402.402 3.851 0 50 HHAA biogenic CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4ncc(C)[nH]4)csc3C2)nc1 426505947 WQIRZKXLXNYORE-UHFFFAOYSA-N 409.559 3.568 0 50 HHAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cc(C)nc3ccccc13)CC2 431983327 UXLDDELZVYNQBP-HXUWFJFHSA-N 420.465 3.775 0 50 HHAA C[C@H](CNC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1)Oc1cccc(F)c1 442386793 HOAIOTCMTYILFY-GFCCVEGCSA-N 417.437 3.611 0 50 HHAA O=C(OCc1coc(-c2ccc(F)c(F)c2)n1)c1cccc(N2C(=O)CCC2=O)c1 728614194 FMWLPXGYKXPDPR-UHFFFAOYSA-N 412.348 3.630 0 50 HHAA FC(F)(F)c1nnc(N2CCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)s1 825720622 NJEQHVTUQKOSJK-CYBMUJFWSA-N 402.442 3.714 0 50 HHAA Cc1c[nH]c(CN2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c(C)c1=O 1704345542 ZJMSBLAMEBYPHC-VWLOTQADSA-N 400.526 3.929 0 50 HHAA CC(C)C(=O)N1C[C@@H]2c3cccc4c3OC[C@]2(CNC(=O)CCc2cccc(c2)O4)C1 1857723878 AJLYADRTMYYTBA-NLFFAJNJSA-N 420.509 3.502 0 50 HHAA CCN(C(=O)Cn1nc(-c2ccc(OC)cc2)cc1C(=O)C(C)C)c1nccs1 1875333929 QEYSKCDUPWQFIB-UHFFFAOYSA-N 412.515 3.907 0 50 HHAA CC(C)C[C@H]1CCC=CCC2(CCCC2)C(=O)NC[C@@](C)(Cn2cccn2)NC1=O 1875369651 AEBNVQGLBOBHTE-OFNKIYASSA-N 414.594 3.837 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1ccccc1OC 1084437 ZDKHPDUKGSUSNF-FQEVSTJZSA-N 408.479 3.656 0 50 HHAA COc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OCc1ccccc1 4678913 LJDRJVMFPWMHOD-UHFFFAOYSA-N 420.469 3.929 0 50 HHAA COc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)cc1Cn1cccn1 11873143 BSHMTRPCTLSSFW-UHFFFAOYSA-N 405.542 3.757 0 50 HHAA CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCCc2ccccn2)cc1 12029321 YVFXOACYODTBHV-QFIPXVFZSA-N 419.569 3.980 0 50 HHAA CCCC[C@H]1CN(CCC(=O)NCc2cn3ccccc3n2)Cc2ccccc2O1 12244175 JFXLYMAPSWZBQO-NRFANRHFSA-N 406.530 3.794 0 50 HHAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)CCCN1CCCC1=O 12711226 AOJKNNGOJPCYAU-IBGZPJMESA-N 408.546 3.713 0 50 HHAA O=C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CCN1Cc1ccccc1F 14997828 KFKVJQCOBDJDLJ-UHFFFAOYSA-N 400.881 3.772 0 50 HHAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)c1ccc(F)cc1 15002969 HVMZGCYYOIBRFA-UHFFFAOYSA-N 411.477 3.737 0 50 HHAA CC(C)Cc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)cc1 22925830 ZJXWRTFABUGCHU-VWLOTQADSA-N 401.639 3.627 0 50 HHAA COc1ccc(-n2c(/C=C3/C(=O)N(C)c4ccccc43)nc3ccccc3c2=O)cc1 32617984 JAOQGVZUHKXIJJ-HMMYKYKNSA-N 409.445 3.911 0 50 HHAA CN(CCCN1CC2(CCN(C(=O)[C@@H]3CC34CCC4)CC2)OC1=O)C1CCCCC1 77470430 ACDMSQKUKIVAQJ-FQEVSTJZSA-N 417.594 3.645 0 50 HHAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NS(=O)(=O)N1CCCCC1 91830322 HJIIHBZZCWBPJF-SFHVURJKSA-N 402.564 3.515 0 50 HHAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3nc4ccccc4nc3C)CC2)c1C 170594788 DOMSDRWMMJZOGS-UHFFFAOYSA-N 424.570 3.683 0 50 HHAA Cc1cc(C)nc(SCC(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)n1 225326552 BBKUYXFIUZXIPC-ULQDDVLXSA-N 405.564 3.687 0 50 HHAA COC(=O)c1cccc(NC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)c1 253370161 NAMYNPZIGRLNHM-MPJJRAAHSA-N 409.530 3.900 0 50 HHAA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 888088831 SQXVFVPFHVOKLL-TUACAJSNSA-N 417.553 3.764 0 50 HHAA Fc1ccc(Br)c(-c2nnc(CCc3nc(-c4ccccn4)no3)o2)c1 1345800520 CHYOROGWVYEGSF-UHFFFAOYSA-N 416.210 3.868 0 50 HHAA C[C@@H](OC[C@@H](O)CN1CCN(c2ccncc2Cl)CC1)c1ccc(Cl)cc1 1875253081 QFNRSUWDTAOHSZ-QAPCUYQASA-N 410.345 3.649 0 50 HHAA CNC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(-c3ccc(OC)cc3)ncn2)c1 1875357203 XACWNEBZTOENFX-UHFFFAOYSA-N 411.849 3.809 0 50 HHAA CN(c1ncnn2c(Br)ccc12)C1CCN(Cc2ccccc2)CC1 1875380882 CZIKEICSDXRTIQ-UHFFFAOYSA-N 400.324 3.593 0 50 HHAA CCC(C)(C)C1CCC(NC(=O)[C@@H](Cc2ccc3c(c2)OCO3)NC(C)=O)CC1 2325702138 HLSSDTXHSGTZAS-CTWPCTMYSA-N 402.535 3.574 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)[C@H](O)C3CCCCC3)C2)c2cccc(=O)n21 2356145987 ZWFWQNGIBMQBEW-WKHFQEMYSA-N 400.563 3.713 0 50 HHAA Cc1cc(C)n(-c2ccc3cccc(Nc4nccc(N5CCC[C@@H](O)C5)n4)c3n2)n1 2356161254 MSLWDOUEWIXLRJ-GOSISDBHSA-N 415.501 3.532 0 50 HHAA Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(Br)c1 633624 ZWEKKGBJABLHJJ-UHFFFAOYSA-N 423.332 3.814 0 50 HHAA COc1ccc(C(=O)NCc2ccc(CNC(=O)c3ccc(OC)cc3)cc2)cc1 1116886 WJZHZUUOFUGIQS-UHFFFAOYSA-N 404.466 3.564 0 50 HHAA COC(=O)c1cc(C)sc1NC(=O)c1ccccc1I 2760955 BXDZLYCPUDDEQI-UHFFFAOYSA-N 401.225 3.700 0 50 HHAA COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 2835261 NSIJIVQVSFCBQJ-UHFFFAOYSA-N 417.303 3.949 0 50 HHAA CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 2853603 WCAFMGZKRJYAQQ-GOSISDBHSA-N 400.837 3.692 0 50 HHAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 11817952 VNPZUJYCHABABL-INIZCTEOSA-N 410.436 3.529 0 50 HHAA CCN1C(=O)C[C@](CC(=O)N(Cc2ccccc2)CC2CC2)(c2ccccc2C)C1=O 11881931 BLHUKYANQZXAKT-AREMUKBSSA-N 418.537 3.841 0 50 HHAA O=C(CC1CCCCC1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccc2)CC1 12099945 BAPRAEWFMHPAMR-HSZRJFAPSA-N 423.601 3.934 0 50 HHAA C[C@@H](c1ccon1)N(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 12317467 QAOGZVYAGFGLGN-INIZCTEOSA-N 420.579 3.828 0 50 HHAA CCOC(=O)CC1(NC(=O)c2cc(COc3cncc(Cl)c3)on2)CCCCC1 12475799 ZHQIQRVEYZPPNR-UHFFFAOYSA-N 421.881 3.688 0 50 HHAA O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCCC[C@H]1CO 12576186 POLLRBDTDATIEU-QHCPKHFHSA-N 422.569 3.760 0 50 HHAA O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCN2CCCC2=O)C1 12591197 YTCXFKIWJRSIMY-JOCHJYFZSA-N 404.510 3.787 0 50 HHAA CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 13595463 GWXQBVBGOBNEOW-LJQANCHMSA-N 402.535 3.989 0 50 HHAA COC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc(C(N)=O)c1C 16400510 FMPHVGPORFHUAW-UHFFFAOYSA-N 422.462 3.818 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2cccc3ccccc23)CC1 17082663 LUVDUAIPXHXOEI-UHFFFAOYSA-N 403.482 3.961 0 50 HHAA O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 17094012 NWDRGFDDZIYMNZ-HZPDHXFCSA-N 424.522 3.772 0 50 HHAA Cc1ccn(CC(=O)N(Cc2ccco2)Cc2cc3ccc(F)cc3nc2N(C)C)n1 19951956 OTWBRPPMABAPEQ-UHFFFAOYSA-N 421.476 3.767 0 50 HHAA c1ccc2c(-c3n[nH]cc3CNC[C@@H](c3ccncc3)N3CCOCC3)cccc2c1 22913114 XZEAKBGYMXVTKS-DEOSSOPVSA-N 413.525 3.788 0 50 HHAA Cc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccccc2)c(C)c1 101733566 KQIBBHKKEKPHNE-IRFCIJBXSA-N 412.555 3.804 0 50 HHAA O=C(NCCN(CC(F)F)C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 170597673 RBPSXQOUQCSIBG-XRXFAXGQSA-N 412.480 3.804 0 50 HHAA C[C@@H](O)[C@@](C)(CNC(=O)c1cccc(NC(=O)c2ccco2)c1)Cc1ccccc1 170611683 SEFOUZGVVRXVEP-MZNJEOGPSA-N 406.482 3.892 0 50 HHAA O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247745727 PUYXGBKMVCVGDK-YSFYHYPLSA-N 416.477 3.806 0 50 HHAA COC(=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@]12C 253498934 DLYVTEULDNMQAR-OBPRGJKYSA-N 422.606 3.537 0 50 HHAA in-vitro c1ccc2c(c1)C[C@H](c1nnc(N3CC[C@]4(CCCOC4)C3)n1C[C@@H]1CCCCO1)O2 461684676 SDXXUJKMMDZENX-XZDHIHRUSA-N 424.545 3.530 0 50 HHAA CC(C)c1ccc(NC(=O)C(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)cc1 743944709 MYDGSQNOMLFZDQ-UHFFFAOYSA-N 408.546 3.600 0 50 HHAA CCOc1ccc(C2(CNC(=O)[C@@H](O)c3ccc(Cl)cc3F)CCOCC2)cc1 813419609 ABCNGUFGFGZMAX-FQEVSTJZSA-N 421.896 3.776 0 50 HHAA CN1C(=O)[C@@]2(CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)c2ccccc21 823811699 GIUXIAMGESBISG-RUZDIDTESA-N 413.525 3.599 0 50 HHAA O=C(NCC1CCN(C(=O)CSc2ccccc2)CC1)c1cccc(F)c1F 952973489 AFLRDUINDKAGND-UHFFFAOYSA-N 404.482 3.726 0 50 HHAA CN1CCO[C@@H](c2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)C1 1775988942 SOBRWGPOLCXVHL-OAHLLOKOSA-N 406.364 3.946 0 50 HHAA Cn1nc(C(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)c2ccccc2c1=O 1857717293 PQCSECKDYAPEOG-VQTJNVASSA-N 405.498 3.562 0 50 HHAA Cc1nc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)sc1C(=O)N1C[C@H](F)[C@H](F)C1 1875329826 FPPVIIJLGCXDOP-MCIONIFRSA-N 415.506 3.698 0 50 HHAA Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)c1 810548 HKZVVJNQQCHQBF-UHFFFAOYSA-N 417.512 3.578 0 50 HHAA O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2ccc3c(c2)OCO3)on1 2465598 ICHWIEWSBALMRI-UHFFFAOYSA-N 406.373 3.707 0 50 HHAA CCc1cccc(CC)c1NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 2869496 CXOTWWPUQZXIGI-UHFFFAOYSA-N 408.951 3.865 0 50 HHAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 3443029 DBUOVOYGWHVYBP-UHFFFAOYSA-N 424.497 3.606 0 50 HHAA Cc1nn(CC(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c(C)c1Br 4761119 QVADOTXGWYTXRY-UHFFFAOYSA-N 408.687 3.740 0 50 HHAA CCCC[S@@](=O)C[C@@H](COC(=O)c1ccc(Cl)cc1)[S@@](=O)CCCC 5102605 NIRPRRAVLOKFOQ-HCOMASKESA-N 406.997 3.963 0 50 HHAA O=C(N[C@@H](Cc1ccccc1)C(=O)n1nnc2ccccc21)OCc1ccccc1 6414212 YKOJLKRZEWWYIH-FQEVSTJZSA-N 400.438 3.609 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c(C)c1 11697982 ULHHRLHDMMORHE-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA CSc1nnc(CNC(=O)c2cc(-c3ccccc3)no2)n1-c1ccc(F)cc1 12031949 BPZDVEDYAPYCTR-UHFFFAOYSA-N 409.446 3.713 0 50 HHAA CCOC(=O)c1n[nH]cc1CN(C)CC1CCN(CCc2ccc(Cl)cc2)CC1 12314558 YXAIGGAZPPXENJ-UHFFFAOYSA-N 418.969 3.626 0 50 HHAA CC(C)S(=O)(=O)c1ncc(CN(C)C(C2CC2)C2CC2)n1CCc1ccccc1 12317176 SWXQGCPPPLHGJU-UHFFFAOYSA-N 415.603 3.928 0 50 HHAA COCc1ccc(CN2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)o1 12430636 SGONGRMZXNNBAB-UHFFFAOYSA-N 414.502 3.828 0 50 HHAA Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc2c(c1)OCO2 13678392 DCOVSIVRWIGCKD-UHFFFAOYSA-N 410.451 3.777 0 50 HHAA O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC12CCN(Cc1cccnc1)CC2 14882145 LNOGCZWNUYEYNL-QHCPKHFHSA-N 419.569 3.548 0 50 HHAA COc1ccc(NC(=O)Nc2nnc(Cc3ccc(OC)c(OC)c3)s2)cc1 17160099 KHOLRNLBSDDWBT-UHFFFAOYSA-N 400.460 3.799 0 50 HHAA O=C([C@@H]1COc2ccccc2O1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20100808 WTTCZNIWPGURJA-DEOSSOPVSA-N 414.505 3.760 0 50 HHAA Cc1nonc1N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 55386364 GQMRGWOLJJPTGR-UHFFFAOYSA-N 407.396 3.682 0 50 HHAA O=C(O)[C@@H]1CCCN([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 101388259 VWTJKXUNEWVTKH-QZTJIDSGSA-N 420.509 3.806 0 50 HHAA Cn1c(CCc2ccco2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 253397921 GZKMHDVSRFCCCW-KRWDZBQOSA-N 406.408 3.790 0 50 HHAA Cc1cc2c3c(c1)C(CN1CCN(c4ccccc4F)CC1)=CC(C)(C)N3C(=O)C2=O 253495922 WIGOSXPLHREUJS-UHFFFAOYSA-N 419.500 3.661 0 50 HHAA O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC[C@H](c2nnc3n2CCC3)C1 463797880 JTGRAHWEOJUNQF-HNNXBMFYSA-N 405.477 3.809 0 50 HHAA Cc1cc(NCC[C@@H]2CCC(=O)N2CCN(C)C)c2ccc(C(F)(F)F)cc2n1 1704312245 HFBBMZUWMOPNHI-INIZCTEOSA-N 408.468 3.917 0 50 HHAA COc1ccc2c(c1)C=C(CN1CCC(C3CCN(C(=O)C4CC4)CC3)CC1)CO2 1857713839 POYQMMPUEZQZMP-UHFFFAOYSA-N 410.558 3.832 0 50 HHAA CCc1cccc(C)c1-n1nc(CS(C)(=O)=O)nc1[C@@H](C)c1ccc(OC)cc1 1875349383 VJIMGTKSIYYPAR-INIZCTEOSA-N 413.543 3.843 0 50 HHAA N[C@@H](Cc1ccc(C(F)F)cc1)C(=O)N1CCC(c2ccccc2C(=O)O)CC1 2325830075 ZUHFCWBWCIQCFY-IBGZPJMESA-N 402.441 3.598 0 50 HHAA O=C1N(CCn2cccn2)c2ccccc2[C@]12CCN(Cc1ccc3[nH]ccc3c1)C2 2356155015 UBZROGNNEMPUID-RUZDIDTESA-N 411.509 3.555 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 987045 OQPZOYQPTCTLKT-UHFFFAOYSA-N 406.935 3.942 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2cccc(C)c2)cc1 1131858 CQABNZFMAZIUGO-UHFFFAOYSA-N 400.544 3.507 0 50 HHAA CCCOc1ccc(/C=C/C(=O)Nc2nc(CC(=O)OCC)cs2)cc1OC 1744710 HWOJHZCYFMGWJJ-VQHVLOKHSA-N 404.488 3.698 0 50 HHAA CCOC(=O)c1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)nc1-c1ccccc1 5510631 PPZCCVUBFFFPBO-UONOGXRCSA-N 402.472 3.816 0 50 HHAA Cc1cccc(Nc2ccc(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)nn2)n1 11697247 NUYJPUZPLCKGCC-UHFFFAOYSA-N 417.517 3.895 0 50 HHAA CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNCCc2ccccc2)cc1 11956292 FBRJMWFDUKZIJT-RUZDIDTESA-N 404.554 3.891 0 50 HHAA O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1Cc1nc2ccccc2s1 12165044 JEXUFWWUXGHJOD-QGZVFWFLSA-N 413.518 3.985 0 50 HHAA COc1ccc(CC(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)cc1OC 12702173 JHUQQNTWLZEQLJ-QFIPXVFZSA-N 410.558 3.802 0 50 HHAA COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 14692407 NLJJSPKWNBUDNS-MYODQAERSA-N 418.486 3.588 0 50 HHAA biogenic,in-vitro COc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC(C)CC2)c1 16622590 MRXFUGOKGIXJHE-UHFFFAOYSA-N 406.479 3.507 0 50 HHAA CCc1c(C)sc2nc(S)n(NC(=O)c3ccc(-n4cccc4)cc3)c(=O)c12 17088569 JYFPQAFWJAGMJR-UHFFFAOYSA-N 410.524 3.792 0 50 HHAA CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1OCC 44018870 NUIKTBLZSPQGCP-IBGZPJMESA-N 409.486 3.770 0 50 HHAA in-vitro COc1cc(CN2CCCCC23CC3)ccc1OC[C@H](O)CN1CCCCCC1 95505844 KFLNTHHBPLROGZ-OAQYLSRUSA-N 402.579 3.829 0 50 HHAA O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)[C@@H](c1ccccc1)n1cnnn1 223237641 IFDFGGDCNCKFPR-YLJYHZDGSA-N 406.877 3.591 0 50 HHAA CCC(C)(C)c1ccc(OC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239203437 SJRYELQMMMOVLI-KLVHLEODSA-N 407.510 3.723 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)NCCc3ccc(O)cc3)csc2C1 426651195 CUHPZBYEJPEXKR-UHFFFAOYSA-N 411.527 3.589 0 50 HHAA COc1ccc(C2(CNC(=O)[C@@H]3CN(C)C(=O)c4ccccc43)CCCCC2)cc1 469075910 UTJHXILLADQBBQ-JOCHJYFZSA-N 406.526 3.883 0 50 HHAA COc1ccc(-n2cnnc2SCC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 483061285 VBYJGTDYHRSDPW-UHFFFAOYSA-N 414.918 3.827 0 50 HHAA CC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccc(Cl)c1O 753016232 PNSZKLKKSRRMKG-UHFFFAOYSA-N 404.669 3.812 0 50 HHAA Cc1cccc(NC(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4cnco4)cc3)C2)c1 1875353429 SCJCJNMTJZLMRY-QGZVFWFLSA-N 404.470 3.934 0 50 HHAA COc1ccccc1CCC(=O)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356169788 ZYNCRPUWDJMQOO-RUZDIDTESA-N 406.526 3.812 0 50 HHAA COC(=O)c1c(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)sc(C)c1C 915015 DQGPBJYTMFWQRT-HNNXBMFYSA-N 401.488 3.530 0 50 HHAA Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 2842347 NWDGWHVHYZTHDB-UHFFFAOYSA-N 424.313 3.609 0 50 HHAA CC(C)C(NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)C(C)C 2986959 BWQMUBQXSQYZKH-UHFFFAOYSA-N 406.523 3.818 0 50 HHAA O=C(Cc1cccs1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 4747710 IBAOQLVJYBGXIB-UHFFFAOYSA-N 405.523 3.892 0 50 HHAA COC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc(C(=O)OC)c1 4870017 URDZVCTWVSRGBT-UHFFFAOYSA-N 412.225 3.828 0 50 HHAA NC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccccc1OCc1ccccc1 5027760 DQTVTAWLVMWQPC-QFIPXVFZSA-N 415.518 3.681 0 50 HHAA COCCNC(=O)c1cccc(OC2CCN(Cc3cccc(SC)c3)CC2)c1 11758928 GQUIBJMBIMFMDA-UHFFFAOYSA-N 414.571 3.828 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cnn(C(C)C)c1 11949894 KJAFDQCPLDMBTR-UHFFFAOYSA-N 416.541 3.604 0 50 HHAA Cc1ccoc1C(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 12319737 VEZBHGXQYKSNMU-UHFFFAOYSA-N 409.530 3.569 0 50 HHAA COC(=O)c1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 13131769 VGQDVELLOMXVFC-HXUWFJFHSA-N 417.469 3.609 0 50 HHAA CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cc3ccccc3s1)CC2 14742222 CDAQGSVOBXFXCV-UHFFFAOYSA-N 420.538 3.725 0 50 HHAA COc1ccc(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)cc1OC 15085634 BEENHSSHVFUIAV-UHFFFAOYSA-N 407.451 3.693 0 50 HHAA Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)c1 17081885 FXCCDXZXHLSKIX-UHFFFAOYSA-N 400.479 3.881 0 50 HHAA Cc1ccccc1-c1ncc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)cn1 19229059 UULAANLSAHAROC-FQEVSTJZSA-N 408.571 3.582 0 50 HHAA Cc1ccc(CN2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)cc1 19865462 PZCSKNDBULZYLA-QHCPKHFHSA-N 408.521 3.593 0 50 HHAA OCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CCN1CC1CCCCC1 20775792 BKWHKVZWAQBGPB-QFIPXVFZSA-N 403.586 3.743 0 50 HHAA CC[C@@H]1C(=O)NCCN1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 55244383 WAQCPDKKVUWAGE-HXUWFJFHSA-N 422.504 3.706 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c(C)c1C 104491501 DNHYOAIUKCOWJH-XMMPIXPASA-N 410.558 3.583 0 50 HHAA Cc1ccc(CN2CCN(Cc3nc(-c4cccs4)oc3C)C[C@H]2CCO)o1 104639919 FKHUTDAGDSTDAC-QGZVFWFLSA-N 401.532 3.682 0 50 HHAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2 229967548 IFOKZLWYWCEGLR-SBHAEUEKSA-N 423.476 3.790 0 50 HHAA CN(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 241644223 PPIFJJRPCVRHPA-IBGZPJMESA-N 411.502 3.621 0 50 HHAA CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 248024720 KWNJDAAJXUHYPI-VAMGGRTRSA-N 411.512 3.850 0 50 HHAA Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC3(C)CCNCC3)cc12 434694344 RQLLAHVVXKABGS-UHFFFAOYSA-N 402.951 3.980 0 50 HHAA Cc1noc(C)c1CN[C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F 490149352 JCLNEXKXJFYTMJ-HXUWFJFHSA-N 406.454 3.852 0 50 HHAA O=C(c1cc(Cl)nc(Cl)c1)N1CCN(CCOc2ccc(Cl)cc2)CC1 916559293 CEQATFMREGETHG-UHFFFAOYSA-N 414.720 3.879 0 50 HHAA COc1ccc2c(c1)C[C@@H](C(=O)Nc1nc3c(c(C(F)(F)F)n1)CCCC3)CO2 1940197637 FEHRELVVPXHOBK-GFCCVEGCSA-N 407.392 3.573 0 50 HHAA C[C@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)C(=O)Nc1ccc(F)cc1Cl 2325861335 NBNMHKFYPHJVTR-IHRRRGAJSA-N 403.885 3.762 0 50 HHAA O=C(c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)n1nnc2ccccc21 1109829 IZPWYESNXKRYBD-UHFFFAOYSA-N 423.432 3.744 0 50 HHAA C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 2851179 IPBJJSGEGIRTOW-JTQLQIEISA-N 406.813 3.664 0 50 HHAA C[C@@H](CCCC(C)(C)O)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 11662054 JABLBUPCDRAROT-KRWDZBQOSA-N 416.562 3.526 0 50 HHAA CCCN(C[C@H]1CCCO1)C(=O)C1CCN(c2nc(C)c3cc(C)ccc3n2)CC1 11815271 JGSNVJDVVXNWPF-HXUWFJFHSA-N 410.562 3.881 0 50 HHAA O=C([C@H]1CC12CCN(C1Cc3ccccc3C1)CC2)N1CCN(c2ccccc2)CC1 12165534 AXMUNCSOQUGCCY-RUZDIDTESA-N 415.581 3.605 0 50 HHAA COCCN(Cc1cccc2nonc12)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 12299946 SPEGKZXTZGURJW-LJQANCHMSA-N 420.557 3.551 0 50 HHAA COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)/C=C/c3cccs3)C1)CC2 12470209 BUOAUVZTDOBLNV-UCFODXPJSA-N 412.555 3.828 0 50 HHAA CC(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)on1 12578252 ABDFPSDSKBZVKV-INIZCTEOSA-N 403.910 3.549 0 50 HHAA CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 12625234 HBWOOSBWRJGZLK-OKILXGFUSA-N 420.506 3.779 0 50 HHAA O=C(Cc1ccccc1)N1CC[C@H]2[C@H](CCCN2Cc2cccn2-c2nccs2)C1 14882317 FMDUDKZJMSTGMQ-IRLDBZIGSA-N 420.582 3.989 0 50 HHAA O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCc1csc(-c2ccccc2)n1 14883046 XXAHDUZCJNTCRG-JOCHJYFZSA-N 409.511 3.691 0 50 HHAA CC(C)S(=O)(=O)NCc1nc(NCc2ccc(F)cc2)c2ccc(Cl)cc2n1 14979659 OLNOZTOHZAJFKE-UHFFFAOYSA-N 422.913 3.862 0 50 HHAA COc1ccc(CCN2CCC[C@H](CN(C)Cc3cnc(N(C)C)s3)C2)cc1 15064586 XMSDWRQGCTXPTI-LJQANCHMSA-N 402.608 3.604 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(Cc2cnc(N(C)C)s2)C1 15077755 HZYSJVHDQRMJPT-NRFANRHFSA-N 423.529 3.875 0 50 HHAA Cc1cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc(C)c1Br 19897176 XTTXHKLYFKLYEZ-UHFFFAOYSA-N 417.347 3.789 0 50 HHAA CCN(CC)CCn1c(=N)n(C[C@H](O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 22780062 RDABDVRRVUPTQC-SBTPEUDISA-N 410.606 3.841 0 50 HHAA COc1cc(OC)cc([C@@H]2OC[C@@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)c1 40936308 DTZKTJXOROSTPI-YHDSQAASSA-N 416.470 3.805 0 50 HHAA biogenic COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(c43)OC(C)(C)CC5=O)c(=O)[nH]c2c1 217932981 MOCKLXRJXMQHOG-OAHLLOKOSA-N 419.433 3.722 0 50 HHAA biogenic O=C(OCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@@]23C=C[C@H]1O3 226889243 HOBQGCIXASHARF-MOXWOTFGSA-N 413.832 3.509 0 50 HHAA CCC(=O)N(c1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1)C1CC1 252444259 DFYLIFYBBXMPQG-RGCMKSIDSA-N 410.609 3.865 0 50 HHAA COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H](NC(=O)C(C)(C)C)C(C)C 409970692 KHRGSPAYWVKGAI-WBMJQRKESA-N 413.356 3.822 0 50 HHAA Cc1cc(C)n(-c2ccc(CNC(=O)C3(Cc4cccc(F)c4)CCOCC3)cn2)n1 432651566 BWUFDAJALXTRPL-UHFFFAOYSA-N 422.504 3.679 0 50 HHAA O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C1CCS(=O)(=O)CC1 492601288 KVIGXMDPWOGPIK-UHFFFAOYSA-N 404.435 3.592 0 50 HHAA Cc1cccc(-c2cccc(CNC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)c2)c1 495248149 DQDPXNMLWOLSOB-VWLOTQADSA-N 413.477 3.647 0 50 HHAA Cc1noc(C)c1CCCNC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 753894130 GPIGKAGSZXRLTM-UHFFFAOYSA-N 408.458 3.937 0 50 HHAA O=C(c1ccncc1)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857689070 BVOLWVSTHWJNJO-QFIPXVFZSA-N 421.541 3.710 0 50 HHAA C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1)[C@@H](O)c1c(F)cccc1F 1875262775 PDHXGJMBRHMCGV-NIVTXAMTSA-N 409.795 3.999 0 50 HHAA COc1ccc(CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1Cl 2356137661 UNWKGKSAPJPYGI-JBYIUTFZSA-N 406.954 3.609 0 50 HHAA CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1 582597 RAMROQQYRRQPDL-HNNXBMFYSA-N 403.918 3.815 0 50 HHAA in-vivo O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(I)c1 985727 BOOZVBMIEAWSST-UHFFFAOYSA-N 420.250 3.780 0 50 HHAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NCc1ccccc1 1140555 VONDWXDVEHXFOY-ACCUITESSA-N 400.434 3.997 0 50 HHAA Cc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1156278 HAJRUEANLNOUOT-UHFFFAOYSA-N 410.898 3.827 0 50 HHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 1211612 WIVHFTSJDBFRDA-OAQYLSRUSA-N 402.450 3.673 0 50 HHAA biogenic COc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@@H]3C2=O)cc1 1232698 LYUAKDPPOCCQEU-ZOVQAKDCSA-N 423.468 3.835 0 50 HHAA biogenic COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)Nc1ccccc1 2418380 GJMOMWKYADCDFP-UHFFFAOYSA-N 414.465 3.931 0 50 HHAA CCOC(=O)N[C@@H](NC(=S)Nc1ccc(C(C)=O)cc1)C(Cl)(Cl)Cl 2951878 NODCYFDETSWXOF-LLVKDONJSA-N 412.726 3.618 0 50 HHAA CCOC(=O)c1sc(NC(=O)c2ccc(OC)c(OC)c2)c(C(=O)OCC)c1C 4036763 GFJNPEIDMKQCTA-UHFFFAOYSA-N 421.471 3.679 0 50 HHAA COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cc1OC 5031203 KAZMECMTNRVHPY-QGZVFWFLSA-N 410.348 3.734 0 50 HHAA Cc1cccc(C(=O)NC[C@H]2CCC3(CCN(C(=O)Cc4ccccc4)CC3)O2)c1C 11882247 PIEKWYUPVLBMOB-JOCHJYFZSA-N 420.553 3.816 0 50 HHAA O=C(CCc1nc2cc(F)ccc2[nH]1)NC[C@H]1Cc2cc(-c3cccnc3)ccc2O1 12026001 HOKLCKXKGGRPCG-LJQANCHMSA-N 416.456 3.817 0 50 HHAA CC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CC(C)C 14534730 NEOSMEJXGNHRDD-SFHVURJKSA-N 401.551 3.749 0 50 HHAA Cc1ccsc1C(=O)NCc1nnc(SCc2ccncc2)n1CC(C)C 15005451 VLTWVNAUOUWDFV-UHFFFAOYSA-N 401.561 3.921 0 50 HHAA COc1ccc(-c2nc3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n3n2)cc1 16805234 UUROLVKXXBWOJN-NVNXTCNLSA-N 404.278 3.681 0 50 HHAA COc1cc(CN2CCC[C@@H](N3CCC(CO)CC3)C2)ccc1OCc1ccccc1 19839767 DRBLXCQFBOZDIA-XMMPIXPASA-N 424.585 3.943 0 50 HHAA CCN1CCN(C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)CC1 20782996 CHGKDFGMJBPNMR-NRFANRHFSA-N 420.601 3.784 0 50 HHAA CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(CC)CC 43772176 YWBNJEOWDZQOCB-GAKHGXDESA-N 409.611 3.827 0 50 HHAA in-vitro C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 100756843 DOJLHUMRZPZHPU-ZHAHWJHGSA-N 401.677 3.838 0 50 HHAA Cc1nc(-c2cccs2)sc1C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 110037806 LDLNDNGMWJKULU-MRXNPFEDSA-N 411.552 3.800 0 50 HHAA O=C(O)[C@@H]1CC[C@@H](c2nc3ccc(Cl)cc3c3nc(=O)c(-c4ccccc4)nn23)C1 170620158 MZJANNJFIYBDHZ-ZIAGYGMSSA-N 420.856 3.926 0 50 HHAA CCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(CC)cc3)CC2)cc1C 225539644 IQZBTVAHZWAQPE-UHFFFAOYSA-N 402.560 3.857 0 50 HHAA O=S(=O)(NCc1ccc(Cl)cc1)NCc1ncc(C(F)(F)F)cc1Cl 263639930 OXQOKDVWZJMOSQ-UHFFFAOYSA-N 414.236 3.531 0 50 HHAA Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCCc1c[nH]c2ccc(F)cc12 409413263 GODMLJJSDYYWHF-UHFFFAOYSA-N 419.456 3.557 0 50 HHAA COc1cc(-c2onc(NCc3ccc(C(=O)N(C)C)cc3)c2C(=O)O)ccc1F 1704340791 UMMUFEQGUDFLJZ-UHFFFAOYSA-N 413.405 3.501 0 50 HHAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)NC[C@@H](c1cccnc1)N1CCCCC1 1857673525 KJXUXOJMTWMKNP-FQEVSTJZSA-N 407.493 3.876 0 50 HHAA O=C(NCc1noc(C2CCC2)n1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857739744 QPMOVSIFBMGYDU-CYBMUJFWSA-N 415.881 3.665 0 50 HHAA O=C(NCCc1ccc(C(F)(F)F)cc1)N[C@H](C(=O)N1CCCC1)c1ccccc1 1875253441 UPYCXBYKEWJELD-IBGZPJMESA-N 419.447 3.911 0 50 HHAA Cc1ccc(-c2cnccn2)cc1NCC(=O)N(C)CCCOc1ccc(F)cc1 1875262518 UOHBICPFFGPBDR-UHFFFAOYSA-N 408.477 3.931 0 50 HHAA CCOC(=O)c1cc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)nc(C)n1 1875301645 OEVQKVRVXUDLHX-UHFFFAOYSA-N 420.425 3.686 0 50 HHAA COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(C)o2)cc1OC 667383 GLNLFXURHGUFJD-GOSISDBHSA-N 409.438 3.698 0 50 HHAA biogenic COc1ccc(N2C(=O)C[C@H](Sc3nc(C)c4cc(C)c(C)cc4n3)C2=O)cc1 801842 GAVDMQIMJFXWRJ-IBGZPJMESA-N 407.495 3.988 0 50 HHAA CC1=C/C(=C2/C(=O)NC(=S)N=C2O)C=C(C(F)(F)F)N1CCc1ccccc1 1133757 WNMOTELIBIHQAF-UHFFFAOYSA-N 407.417 3.563 0 50 HHAA COc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)c2cccs2)c2ccccc2)cc1 2823789 SNKCXTNFZRMOAD-NRFANRHFSA-N 409.463 3.654 0 50 HHAA CCCCN1C=C(C(=O)OC)C(c2ccccc2Br)C(C(=O)OC)=C1 2838804 HDGYJPNZMKAUMY-UHFFFAOYSA-N 408.292 3.762 0 50 HHAA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(F)c2)n2nc(CCCO)nc2N1 4387658 XIORBBWVFXVZQC-OAQYLSRUSA-N 421.476 3.578 0 50 HHAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 8995436 YGMYIOBIXNVREW-UHFFFAOYSA-N 422.312 3.923 0 50 HHAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2cccs2)CC1)c1ccccc1 11663070 AXDMXXCVGCKUSX-FQEVSTJZSA-N 424.526 3.748 0 50 HHAA COCc1cc(CN2CCC[C@@H](Nc3ccc(OC)c(OC)c3)C2)ccc1OC 11821397 UFIZDZNDIBTEHT-HXUWFJFHSA-N 400.519 3.935 0 50 HHAA O=C1C[C@H](C(=O)NC[C@@H]2Cc3cc(F)cc(-c4cccnc4)c3O2)c2ccccc21 11995475 OYJNDJWQMQRPOE-UWJYYQICSA-N 402.425 3.678 0 50 HHAA Cc1cc(C)n(CC(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccc(F)c(C)c4)c3O2)n1 12005197 NLLVDOPSFHGLCS-IBGZPJMESA-N 411.452 3.873 0 50 HHAA COc1cc(Cl)ccc1OCc1cc(C(=O)NCc2cc(C(C)C)no2)no1 12072517 NKHFWAZBYHXDPL-UHFFFAOYSA-N 405.838 3.957 0 50 HHAA CN(Cc1cccc(OC2CCN(C(=O)Cc3ccsc3)CC2)c1)Cc1ncc[nH]1 12150951 MPHPHPWTOWWVGN-UHFFFAOYSA-N 424.570 3.716 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCCC[C@H]3CCc3ccccn3)n2)cc1 12308614 SEXCPDLIPHGOMM-FQEVSTJZSA-N 406.486 3.906 0 50 HHAA CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c2ccccc12 12411552 DYYXYCYEWPMGMK-UHFFFAOYSA-N 411.889 3.776 0 50 HHAA biogenic,in-vitro Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nn2)n1 13009053 ZDMIZPNYHVNRLD-UHFFFAOYSA-N 418.545 3.539 0 50 HHAA COc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1OC 19300342 BVCODQJLYMAJBK-FQEVSTJZSA-N 413.537 3.630 0 50 HHAA Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 23411674 CASCNTPYVNBPJT-NRFANRHFSA-N 411.465 3.856 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc4cc(F)ccc4n3)C[C@H]2CCO)cc1C 107100173 CXTRHKLLVOKKDK-HSZRJFAPSA-N 423.532 3.760 0 50 HHAA O=S(=O)(Nc1[nH]nc(C(F)(F)F)c1-c1ccc(Cl)cc1)c1cccnc1 170609226 CJEYLSXQXNYQQH-UHFFFAOYSA-N 402.785 3.945 0 50 HHAA Cc1cccc2c(Nc3cnc(N4CCOCC4)c(Br)c3)ncnc12 225581031 CFMNQNADYKBADF-UHFFFAOYSA-N 400.280 3.676 0 50 HHAA COc1ccccc1C(=O)N1[C@H](C(=O)NCCc2ccsc2)C[C@H]2CCCC[C@H]21 230132692 RNZWCNJVCCXJMJ-RLLQIKCJSA-N 412.555 3.889 0 50 HHAA C[C@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(-c2ccccc2)cc1 248378072 IMXDDFPVNJLOOB-MTNREXPMSA-N 402.494 3.872 0 50 HHAA COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)N1CCC[C@@H]1c1ccccc1OC)C2 299793860 KLAUQPQMTSBYEQ-LAUBAEHRSA-N 410.514 3.650 0 50 HHAA Cc1nc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2cnn(-c3ccccc3)c2n1 917021003 YSVGVKGKLHZSCI-AWEZNQCLSA-N 407.499 3.701 0 50 HHAA CCN(CCn1cccn1)C(=O)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 952972606 DLTDORLLBXKLIG-UHFFFAOYSA-N 419.312 3.562 0 50 HHAA O=C(NCCc1cccc(Cl)c1Cl)NC1CCN(C(=O)c2ccncc2)CC1 1875252796 TXLCWPYVDIROOU-UHFFFAOYSA-N 421.328 3.535 0 50 HHAA C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(c2ccc([C@@H]3CCC(=O)N3)cc2)C1=O 1875335136 TWXBTXJYDPLVEB-OXJNMPFZSA-N 417.387 3.628 0 50 HHAA O=C(N[C@H](Cc1coc2ccccc12)C(=O)O)c1ccn(-c2ccccc2Cl)n1 1875347533 PAFFTOLMVBSSJW-QGZVFWFLSA-N 409.829 3.698 0 50 HHAA Cc1cnnc(-c2cccc(C(=O)NCc3ccc(N4CCCC4=O)cc3)c2)c1C 2356166301 RPFFMUHIBIWCNH-UHFFFAOYSA-N 400.482 3.817 0 50 HHAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)n1 652083 STLXVYKRYLZSGP-UHFFFAOYSA-N 416.890 3.800 0 50 HHAA COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2C1=O 1216436 URLHMEQJCKZASW-UHFFFAOYSA-N 414.417 3.951 0 50 HHAA COc1cc2c(cc1NC(=O)CN(C)S(=O)(=O)c1ccccc1)oc1ccccc12 2866875 XWLMWQBAGGIKSI-UHFFFAOYSA-N 424.478 3.854 0 50 HHAA COc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1Cl 2998835 TYBHUOYQMYALCW-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA O=C(OCCNC(=O)c1cc2ccccc2cc1O)c1cc(O)c2ccccc2c1 3098182 ATLJKRHQLJXLGO-UHFFFAOYSA-N 401.418 3.991 0 50 HHAA COc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(Cl)cc3)n2)cc1OC 7720813 NBVOEEOVCHKYCM-UHFFFAOYSA-N 401.850 3.608 0 50 HHAA CCCOc1ccc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1 8594587 WMGRRLUAUCNGGM-UHFFFAOYSA-N 422.529 3.908 0 50 HHAA CCOc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)c1 9763727 UFCGSZDSYFQNQB-UHFFFAOYSA-N 423.288 3.673 0 50 HHAA O=C(c1coc(Cn2cnc3ccccc32)n1)N1CCOc2ccc(Cl)cc2C1 11664374 TURDEEHULTWRAO-UHFFFAOYSA-N 408.845 3.761 0 50 HHAA O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCCN(CCCc2ccccc2)C1 11769977 QMSWPEWXAGOUQK-QFIPXVFZSA-N 418.541 3.883 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)Nc2ccc(C(=O)OC)cc2)C1 12112034 IDMDLDOLXZXJHL-DEOSSOPVSA-N 424.497 3.893 0 50 HHAA O=C(NC1CC1)c1cn(C2CCN(CC(c3ccccc3)c3ccccc3)CC2)nn1 12282099 JMIQIQATZMRIJY-UHFFFAOYSA-N 415.541 3.639 0 50 HHAA CN1CCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C[C@H]1c1ccccc1 15064157 CSJQYIGZNNNSRZ-NRFANRHFSA-N 413.424 3.661 0 50 HHAA CSc1ccc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1 15075964 OWXPGKLVPBZIGN-LJQANCHMSA-N 403.636 3.953 0 50 HHAA C[C@H](C(=O)NC1CC1)N1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 67756102 JEIRJLQGXXGTOX-QGZVFWFLSA-N 400.526 3.615 0 50 HHAA CC(C)(C)OC(=O)N1[C@H](CN)CCC12CCN(C(=O)OCc1ccccc1)CC2 110915101 VOTWBPGJTROQJB-SFHVURJKSA-N 403.523 3.516 0 50 HHAA O=C(Nc1nnc(SCc2cccs2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 142167169 OVEOXXWJEFQCMK-LBPRGKRZSA-N 416.553 3.884 0 50 HHAA COc1ccc2[nH]c([C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)nc2c1 170598442 QHFGKCLWIUUIEZ-IIBYNOLFSA-N 422.529 3.902 0 50 HHAA Cc1ccc(C)n1-c1c(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)cnn1C 170631730 BQJURYNWBLZMTK-QGZVFWFLSA-N 407.301 3.598 0 50 HHAA O=C(N[C@@H]1CCCn2cc(C(=O)O)nc21)OCC1c2ccccc2-c2ccccc21 1772717959 MHRIYAWHMJHADE-LJQANCHMSA-N 403.438 3.955 0 50 HHAA O=C(N=c1ccn(Cc2cccc3cccnc23)[nH]1)Nc1ncnc2ccsc12 1875378792 DYACMSGLETVUJP-UHFFFAOYSA-N 401.455 3.550 0 50 HHAA COc1ccc2c(c1)[C@H](Nc1ccc(C(=O)N[C@@H]3CC(C)(C)CC[C@H]3O)cn1)CC2 2325825568 VPBNIZBOALYHFH-NJDAHSKKSA-N 409.530 3.859 0 50 HHAA CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)Cn3c(C)nc4ccccc43)cc12 644358 GGUNLVLBVWXPDD-KRWDZBQOSA-N 421.497 3.761 0 50 HHAA COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)c(Br)c(OC)c1OC 944170 ICZMSVVYRZKGAH-UHFFFAOYSA-N 408.248 3.930 0 50 HHAA CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 993261 ZLLWKXCSOZDICE-OAHLLOKOSA-N 400.862 3.897 0 50 HHAA C[C@H](NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)[C@@H]1CCCO1 2781343 HSCFNPKSROKSGV-GWCFXTLKSA-N 410.421 3.774 0 50 HHAA CCc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1 2874581 XHAZMAMQDPXIHS-XMMPIXPASA-N 400.522 3.949 0 50 HHAA O=C(NCc1ccccn1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 2879375 KFRMDLBMCHSDGY-UKRRQHHQSA-N 407.421 3.930 0 50 HHAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3CS[C@@H](c4cccs4)N3C2=S)cc1 4698471 YIPFYUIYAWXZNN-BBRMVZONSA-N 404.538 3.673 0 50 HHAA CC(C)[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)NCCCN1CCCCC1 4872393 WDNUPQJQJLLHTM-XVAXZDLZSA-N 407.643 3.972 0 50 HHAA FC(F)(F)c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1 9741011 CLASBANNMXYPNE-UHFFFAOYSA-N 416.403 3.700 0 50 HHAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1 11665505 VGMHYUOAEMIFKT-LJQANCHMSA-N 419.525 3.738 0 50 HHAA CSCC[C@@H](C)N1CCC(Oc2ccc(C(=O)NCc3ccncc3)cc2)CC1 12460079 UJQGBVNQAVRPSD-GOSISDBHSA-N 413.587 3.996 0 50 HHAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2cnc(N(C)C)s2)C1 15078069 GGRPZBIYIVCRSG-JOCHJYFZSA-N 417.575 3.824 0 50 HHAA Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccc(F)cc3)n2C)c1 17081884 LPLPRDXSKNYHSS-UHFFFAOYSA-N 400.479 3.881 0 50 HHAA COc1ccc(NC(=O)[C@@H](C)n2nc(-c3cc(C)ccc3C)ccc2=O)cc1OC 20095555 QUCPMTMVQZMJJV-MRXNPFEDSA-N 407.470 3.744 0 50 HHAA Cc1ccc(CNc2cccc(C(=O)N3CCC([C@H](O)c4nccn4C)CC3)c2)cc1 55341127 TWWWZQOPYLPWEB-QHCPKHFHSA-N 418.541 3.926 0 50 HHAA CCOc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1 169752970 ZIPSJALZCWIQQG-UHFFFAOYSA-N 408.477 3.967 0 50 HHAA O=C(CN1CCC(c2cnccn2)CC1)Nc1ccc(Br)cc1Cl 170607251 NFBLLIIMQSLHFB-UHFFFAOYSA-N 409.715 3.711 0 50 HHAA COC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 220952404 JNCSJWZLQJCPDP-NRFANRHFSA-N 421.424 3.978 0 50 HHAA Cc1ccc(C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)c(Br)c1 431335179 WVBFAVLPWXCHIS-HNNXBMFYSA-N 401.304 3.883 0 50 HHAA Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)c3ccc4c(c3)CCC(=O)N4)CCC2=O)cc1C 760371882 NBEQWPRKTKCEGB-XLIONFOSSA-N 419.525 3.809 0 50 HHAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)c2cc(C(F)(F)F)ccc2Cl)N1 1506417242 PBGOQFDELLBWFM-AWEZNQCLSA-N 411.811 3.675 0 50 HHAA Cc1nc2ccc(C(=O)N[C@@H]3CCC[C@@H](NC(=O)CC4CCCC4)C3)cc2nc1C 1857684027 WGMBRBYDBQWUFU-WOJBJXKFSA-N 408.546 3.984 0 50 HHAA O=C1CCCN1CCN1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857699611 VXUCMIXFALYAEK-QHCPKHFHSA-N 413.606 3.571 0 50 HHAA Cc1cc2cccc(C(=O)N3CC[C@@]45OC[C@@H](c6ccccc6)N4C(=O)C[C@@H]35)c2o1 1857710882 VWSZHKJKLXAGEY-ROKPMTFOSA-N 402.450 3.656 0 50 HHAA Cc1cc2cccc(C(=O)N3CC[C@@]45O[C@@H](c6ccccc6)CN4C(=O)C[C@@H]35)c2o1 1857727544 SQIAATPLMAWZNM-REHUZNOOSA-N 402.450 3.656 0 50 HHAA Cn1ccc2cc(C(=O)N3CCC([C@H]4CCCN(C(=O)C(F)(F)F)C4)CC3)ccc21 1875331204 VAFQKMQDFHCEBK-SFHVURJKSA-N 421.463 3.831 0 50 HHAA C[C@](NC(=O)c1ncnc2c1ccn2C1CC1)(C(=O)O)c1ccc(C(F)(F)F)cc1 1875347401 OAADGPRLXIYOCZ-LJQANCHMSA-N 418.375 3.515 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccc(Cl)cc2)cc1 713444 UJEDQEPKFUISTB-UHFFFAOYSA-N 422.934 3.556 0 50 HHAA CSc1ccc(-c2nnn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1 720197 VYZABOCEWICXAP-UHFFFAOYSA-N 409.393 3.599 0 50 HHAA COc1ccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl 1119198 ZJOVVDMRLDPCRJ-UHFFFAOYSA-N 402.907 3.955 0 50 HHAA CCOc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1OCc1ccccc1F 1133257 HSEAYZTYFQNUNV-UHFFFAOYSA-N 416.518 3.676 0 50 HHAA COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 1145249 IUWXSNUDMVPMLY-WQRHYEAKSA-N 412.467 3.687 0 50 HHAA CCn1nccc1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 2778930 BEXNOMOZBMGPJF-ZDUSSCGKSA-N 413.547 3.518 0 50 HHAA CN(c1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1)S(C)(=O)=O 2879503 OSHYCJGJPGXBFA-UHFFFAOYSA-N 416.927 3.747 0 50 HHAA COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)cc1 5164251 ZVKBSENSURYYII-JRFVFWCSSA-N 400.563 3.812 0 50 HHAA Cn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 6467792 BPBRWXQCLOLBHI-UHFFFAOYSA-N 416.522 3.542 0 50 HHAA CSc1ccccc1N1C(=O)CN(C(=O)c2cc(-c3ccc(C)o3)n[nH]2)C[C@@H]1C 11912055 JYJXBOATOANATQ-ZDUSSCGKSA-N 410.499 3.578 0 50 HHAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2ccncc2)CC1 11937024 KDOKDMPGVSKGLZ-UHFFFAOYSA-N 405.502 3.523 0 50 HHAA Cc1ccc(-n2cc(CNCc3nnc4n3CCC4)c(-c3ccc(F)cc3)n2)cc1 11950313 OJUMHKNUODZWAS-UHFFFAOYSA-N 402.477 3.814 0 50 HHAA CCC(=O)N(Cc1ccc(OCCCc2cccnc2)cc1)[C@H]1CCCCNC1=O 12159031 GWBMXZULRUMWCN-QFIPXVFZSA-N 409.530 3.501 0 50 HHAA COc1cc(C[C@@]2(CCC(=O)N[C@H](C)Cc3ccsc3)CCC(=O)N2)ccc1F 14998695 QPJGYJPBVNNMNT-IVZQSRNASA-N 418.534 3.615 0 50 HHAA O=C(c1ccco1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 15066499 ZMVVZYZJWLEGKD-FQEVSTJZSA-N 400.494 3.952 0 50 HHAA CN(Cc1cnccn1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 55342827 FADVVURFHVPNCL-UHFFFAOYSA-N 413.481 3.749 0 50 HHAA O=C(O)c1[nH]ncc1CN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67817889 CMXFFCZLPVLEBL-UHFFFAOYSA-N 400.438 3.988 0 50 HHAA CCOC(=O)[C@@H](CC)N(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 170605728 KALUEKPXGMPHMF-OAHLLOKOSA-N 423.922 3.815 0 50 HHAA O=C(NCc1ccccc1CN1CCCC1)c1nc(C2CC2)ncc1Br 170613532 QWKUFAXXUWAHOD-UHFFFAOYSA-N 415.335 3.642 0 50 HHAA CC1(C)CCc2ccccc2[C@H](NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 225656116 YYZCQPGAERRVGT-TZIWHRDSSA-N 404.510 3.725 0 50 HHAA O=C1CC[C@H](N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CCN1CC1CC1 952978378 LUFSCLYDNIUDHK-IBGZPJMESA-N 410.480 3.780 0 50 HHAA c1ccc(CO[C@@H]2CCCN(Cc3cc4ccccc4nc3N3CCOCC3)C2)nc1 952979595 HOXBYZIIHHEHBD-HSZRJFAPSA-N 418.541 3.648 0 50 HHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)C1)CC2 1704298696 BXVNEITVQQLPEF-XMMPIXPASA-N 415.497 3.833 0 50 HHAA C=CC(=O)N1CCC(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)CC1 1875369539 UULJIIRCWDUJDB-UHFFFAOYSA-N 407.442 3.775 0 50 HHAA CCCOc1cc2c(cc1OCCC)CCN(S(=O)(=O)CCC(F)(F)F)CC2 2325709335 RPCYERAZUXPCCW-UHFFFAOYSA-N 423.497 3.947 0 50 HHAA CN(C[C@H]1CC12CCN(Cc1cn3ccc(Br)cc3n1)CC2)C1CC1 2325736160 PZZFQPHVUFSMKX-OAHLLOKOSA-N 403.368 3.793 0 50 HHAA NC(=O)[C@H](OC(=O)c1ccc2c(c1)CCCS2)c1cccc(Br)c1 2325870960 WOTZGSCTHLNOBL-MRXNPFEDSA-N 406.301 3.871 0 50 HHAA CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 794216 XGARXXGSCHFMAG-UHFFFAOYSA-N 417.512 3.524 0 50 HHAA O=C1C(Cl)=C(NCCc2ccccc2)C(=O)N1c1ccc(Br)cc1 946317 FEUOIJUEAXRFPC-UHFFFAOYSA-N 405.679 3.605 0 50 HHAA O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cccnc1 1120559 KSWOZZBWAAACRD-UHFFFAOYSA-N 420.900 3.950 0 50 HHAA Cc1oc2cc(OCC(N)=O)ccc2c(=O)c1Oc1ccccc1Br 1129921 MFVWTVFRACDTRW-UHFFFAOYSA-N 404.216 3.520 0 50 HHAA biogenic CCOc1ccc(N(CC(=O)Nc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 1203909 XFZARUDEVYEGCX-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA CCOc1ccc(-c2cc(C(=O)NN3CCOCC3)c3cc(Cl)ccc3n2)cc1 2867573 COXHNVCPWKTBGY-UHFFFAOYSA-N 411.889 3.931 0 50 HHAA CCOc1ccccc1[C@@H]1C[C@H]2CN(C3Cc4ccccc4C3)C(=O)[C@]23CCCN13 11840222 LZDFCHCHBJIWBD-CHZKFRDHSA-N 402.538 3.991 0 50 HHAA O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCC([C@H](O)c2cccs2)CC1 12112363 WKWCRVNEIWAQNB-VPVJOJIASA-N 408.527 3.639 0 50 HHAA CN(CC[C@@H](O)c1ccccc1)C(=O)c1cc(COc2cccc3cnccc23)on1 12302892 XGLRKXVVYQVGJW-JOCHJYFZSA-N 417.465 3.998 0 50 HHAA COC(=O)c1cc(CNC(=O)c2ccccc2OC)cc(NC(=O)C2CCCCC2)c1 12456960 DYBYGLLUNMBTJP-UHFFFAOYSA-N 424.497 3.931 0 50 HHAA O=C(C[C@@H](c1ccccc1)c1ccccc1F)N1CCN(C(=O)c2ccco2)CC1 12709511 MIXGTVQKVDBWLO-FQEVSTJZSA-N 406.457 3.925 0 50 HHAA CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](N(C)CCc1ccccn1)C3 15000024 NGUIWJYNKDVZKR-SFHVURJKSA-N 410.587 3.931 0 50 HHAA Cc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccc(C)cc2)cc1 101089958 LENFFRJVYBMQQU-CNNODRBYSA-N 412.555 3.804 0 50 HHAA O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 169774029 VYRNMHYESRLNGJ-KRWDZBQOSA-N 406.873 3.794 0 50 HHAA Cc1cc(F)cc2[nH]c(C(=O)NCc3ccc(C(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc12 170629548 SCDXQEOGJBXYSI-HOTGVXAUSA-N 423.488 3.795 0 50 HHAA Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnn(C)c1N 197577246 FNECJPMQBUPWGZ-UHFFFAOYSA-N 417.391 3.834 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)Nc1nnn(Cc2ccc(C(F)(F)F)cc2)c1C 225493197 CQFVNCPKTUSIQO-UHFFFAOYSA-N 420.439 3.575 0 50 HHAA O=C([C@@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 475467471 NQUGTUPODPSFQI-XLAJHSINSA-N 419.500 3.976 0 50 HHAA Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 476240283 DZXREGVJWYTTDF-LJQANCHMSA-N 421.522 3.968 0 50 HHAA Cc1cccc2c(=O)n(CC(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3Cl)cnc12 816762454 ZJESGZMRWDHAAP-LLVKDONJSA-N 424.810 3.650 0 50 HHAA O=C(c1cn(CC(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)c2ccccc12)C1CC1 1506412259 AXVUZEPCSVDSQD-SFHVURJKSA-N 415.493 3.751 0 50 HHAA Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccc4c(c3)ncn4C)c12 1857532514 XFZOMEKDKAKLFV-UHFFFAOYSA-N 416.510 3.822 0 50 HHAA CCOc1ccc2nc(N3C[C@H](C(=O)N4CCc5ccccc5C4)CC3=O)sc2c1 1857674109 QTCSSCHPDIZRID-QGZVFWFLSA-N 421.522 3.633 0 50 HHAA C[C@H](c1ccccc1)N1CCC(N=c2nc[nH]n3c(Br)ccc23)CC1 1875256730 MHRRLCXHACTGDI-CQSZACIVSA-N 400.324 3.551 0 50 HHAA CCOc1cccc(CCNC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)c1 1875362638 NQXXLDPDJKUNBT-IBGZPJMESA-N 417.303 3.700 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)c2)cc1OC 678939 QJVHMCXFAQMUOM-UHFFFAOYSA-N 409.305 3.902 0 50 HHAA CCOC(=O)c1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 1185129 JUWOGSKGLAHAIL-OAQYLSRUSA-N 406.438 3.816 0 50 HHAA CN(CCC(=O)NC1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1 4491695 PWHYGCHWVGSSMY-UHFFFAOYSA-N 408.675 3.727 0 50 HHAA COc1ccc(CCN(C)Cc2cc(Br)c(O)c(OC)c2)cc1OC 4948400 SWPAWVBUBOWCPW-UHFFFAOYSA-N 410.308 3.855 0 50 HHAA O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 4953729 XVFXRRBPBDCTPH-IIFATDLDSA-N 417.347 3.887 0 50 HHAA Cc1cccn2c(CN[C@H](C)CCCC(C)(C)O)c(C(=O)N3CCCCC3)nc12 11935448 RFTPNPCVSYSUBX-GOSISDBHSA-N 400.567 3.688 0 50 HHAA Cn1cc(CN2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cn1 12433485 QOCPBTGGMCEXLH-NRFANRHFSA-N 400.486 3.567 0 50 HHAA C[C@@H](Cc1ccccc1F)N1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 12457102 SEFFOPUJLQTDRQ-HNNXBMFYSA-N 418.896 3.873 0 50 HHAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2F)CC1 20044919 DFTJHGOSXCCRTN-UHFFFAOYSA-N 403.306 3.639 0 50 HHAA Cc1cc(S(=O)(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)c(C)cc1Cl 20599953 POOXHHDIAKJLEB-AWEZNQCLSA-N 404.923 3.885 0 50 HHAA Cc1cccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 23382462 ABOGJVFDODSKTL-NRFANRHFSA-N 411.465 3.856 0 50 HHAA O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccccc1F 23411307 HNCVNYXHHBBHPS-HXUWFJFHSA-N 415.428 3.687 0 50 HHAA NC(=O)c1c(SCc2c(Cl)cccc2Cl)sc2c(O)cc(=O)[nH]c12 36360065 COCPKICEGHOEEP-UHFFFAOYSA-N 401.296 3.993 0 50 HHAA CC(C)Cn1c(CN2CCC(CCC(=O)N3CCOCC3)CC2)nc2ccccc21 67692171 YZSOFCXHSJFJSM-UHFFFAOYSA-N 412.578 3.543 0 50 HHAA O=C([C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCCC1 82138568 KZRXBMFCSZOXLL-HSZRJFAPSA-N 412.622 3.941 0 50 HHAA O=C(CS[C@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 100274098 ZCZNYHCZBXTULV-HNNXBMFYSA-N 409.294 3.997 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)CCc4ccccc4)C3)[nH]n2)cc1 169780782 YNSDVRVCUUHQBR-HXUWFJFHSA-N 404.514 3.803 0 50 HHAA Cn1cccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c1=O 170626682 IPFOCSNJPBZFBC-UHFFFAOYSA-N 416.300 3.946 0 50 HHAA CC(C)c1ccc(-n2cc(O)c(C(=O)Nc3cccc(N4CCOC4=O)c3)n2)cc1 170638403 CEQANTIKZBAIIL-UHFFFAOYSA-N 406.442 3.910 0 50 HHAA N[C@@H](CCC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 170677477 VOUDSWOCIYOBSB-NRFANRHFSA-N 423.538 3.584 0 50 HHAA Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1 229827176 RSJUOGVDIXYIAS-ZLGUVYLKSA-N 419.477 3.960 0 50 HHAA COc1cc(Br)c(S(=O)(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1OC 230047406 PBZSMZXDEFVJDY-GXTWGEPZSA-N 418.353 3.810 0 50 HHAA CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 245238481 QKCWRQZHQLQNEA-NJDAHSKKSA-N 404.422 3.729 0 50 HHAA Cc1ccc(N2C(=O)C[C@@H](C(=O)NCCCn3ccnc3C)[C@H]2c2cccs2)cc1 390832842 VKEPOIRHPQIEKK-KNQAVFIVSA-N 422.554 3.862 0 50 HHAA Brc1cc2c(cc1CNc1ccccc1CN1CCOCC1)OCCO2 486165506 NVZDTJQBFZPKOO-UHFFFAOYSA-N 419.319 3.665 0 50 HHAA O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cc(-c2ccc(Cl)cc2)c[nH]1 494262120 LOYQKMQHVDSJSX-UHFFFAOYSA-N 408.845 3.639 0 50 HHAA CC1(CNC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)CCOCC1 499204025 JVISVSMZEBTAEO-UHFFFAOYSA-N 400.504 3.633 0 50 HHAA CS(=O)(=O)Nc1cccc(NC(=S)NCc2cccc(C(F)(F)F)c2)c1 726459938 VTVOKVZBWFDJDE-UHFFFAOYSA-N 403.451 3.564 0 50 HHAA CN(C)C(=O)NCCNC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 777445939 YWWZPKJRCPZNTE-UHFFFAOYSA-N 408.474 3.746 0 50 HHAA Cc1cnccc1N1CCCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 952976538 FVGPIVVQNYSYJY-UHFFFAOYSA-N 403.486 3.670 0 50 HHAA CN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2(C)C)cc1 1465058436 ODISJVGYYIUTQA-IBGZPJMESA-N 401.532 3.737 0 50 HHAA COc1cccc(-c2nc(-c3cc(O)ccc3O)[nH]c2-c2oc(C)cc(=O)c2O)c1 1857526791 YFIUSGLQDBBOAZ-UHFFFAOYSA-N 406.394 3.798 0 50 HHAA Cc1nc[nH]c1CN1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857697067 IXFDMZVKELZWLZ-NRFANRHFSA-N 410.562 3.707 0 50 HHAA COc1ccccc1CN1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857741491 VKYFDAIAXJKRIL-XMMPIXPASA-N 402.498 3.733 0 50 HHAA Cc1ccc(-c2cnc(NC(=O)COc3ccc(S(C)(=O)=O)cc3)s2)cc1 1875354131 AXWXXHHGBHJWPY-UHFFFAOYSA-N 402.497 3.540 0 50 HHAA COc1cccc(CNC(=O)[C@H](C)n2cc(-c3cccc(Br)c3)nn2)c1 2325776340 AIRXKTPECNLRFA-ZDUSSCGKSA-N 415.291 3.594 0 50 HHAA Cn1cc(C2CCN(C(=O)c3cc(-c4ccc(Br)cc4)no3)CC2)cn1 2325820280 LYEVDTJRKUZGRX-UHFFFAOYSA-N 415.291 3.857 0 50 HHAA NS(=O)(=O)c1cc(C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)cs1 2325820302 NERXSUSLJIPRJC-UHFFFAOYSA-N 419.355 3.598 0 50 HHAA CC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccco1 1077352 FKSQBBJFRYDWFP-HXUWFJFHSA-N 409.467 3.778 0 50 HHAA OCc1nc2ccccc2n1C[C@@H](O)COc1ccc(OCc2ccccc2)cc1 1146326 IXLSJEFQTMMUMP-LJQANCHMSA-N 404.466 3.548 0 50 HHAA Cc1ccc(N(Cc2ccc(C(=O)NC3CCCC3)cc2)S(C)(=O)=O)cc1C 1214106 IKMQKECZNKHGDU-UHFFFAOYSA-N 400.544 3.942 0 50 HHAA COC(=O)c1c(NC(=O)CSc2nc3ccc(C)cc3[nH]2)sc2c1CCC2 6516890 DCYDTGJUVWFWDB-UHFFFAOYSA-N 401.513 3.939 0 50 HHAA C[C@]1(C2CCN(Cc3ccc(F)cc3)CC2)NC(=O)N(Cc2ccsc2)C1=O 11784125 GUPZVOWIGFAOHJ-OAQYLSRUSA-N 401.507 3.610 0 50 HHAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cn(Cc2cccc3ccccc23)nn1 12000407 OOISKBISOWYCID-UHFFFAOYSA-N 424.464 3.802 0 50 HHAA COC(=O)c1cccc(C(=O)NC[C@@H]2Cc3cc(-c4ncccc4C)ccc3O2)c1 12162451 VJBPTJVIWGXUKR-FQEVSTJZSA-N 402.450 3.577 0 50 HHAA Ic1ccc(OCc2nc(-c3ccc4c(c3)OCO4)no2)cc1 12374635 LFMHXZMZHFSCLY-UHFFFAOYSA-N 422.178 3.649 0 50 HHAA CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccc(O)cc2)C1 14733345 AUTOBCAOKNGENR-VQTJNVASSA-N 414.521 3.821 0 50 HHAA O=c1c(CN2CCN(C3CCCCC3)[C@H](CCO)C2)coc2ccc(Cl)cc12 19225491 YEXOWZSOQNYHEK-LJQANCHMSA-N 404.938 3.648 0 50 HHAA COc1ccc(NC(=O)[C@H](C)n2nc(-c3cc(C)ccc3C)ccc2=O)cc1OC 20095557 QUCPMTMVQZMJJV-INIZCTEOSA-N 407.470 3.744 0 50 HHAA COc1cccc(C(=O)COc2cccc(N3C(=O)[C@@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)c2)c1 100918942 FLWLHMPISASJLV-DQOBCGMHSA-N 417.461 3.659 0 50 HHAA COc1ccccc1Cc1nc(-c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)no1 169781130 WGDHRYSEPTUFIU-IBGZPJMESA-N 403.442 3.507 0 50 HHAA O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[C@H](Nc2ccccc2)C1 170622768 QEBRPNRQAWPQLX-KRWDZBQOSA-N 411.303 3.961 0 50 HHAA O=C(COc1ccc2ccccc2c1Br)Nc1cnn(-c2ncccn2)c1 170634330 VOWKTBOSUFYGQB-UHFFFAOYSA-N 424.258 3.596 0 50 HHAA COc1ccc(/C=C/c2nn3c(-c4c(C)nc5ccccn45)nnc3s2)cc1OC 227143707 AFPXKANMMQVZES-CSKARUKUSA-N 418.482 3.997 0 50 HHAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Oc1ccc(-c2ccccc2)cc1 239184788 QZFVGTCQAMIXKK-PYSZQBSGSA-N 413.473 3.702 0 50 HHAA Fc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc5c(c3)OCO5)OC4)n2)cc1 263617856 QBRGFRGAHZBCEF-LJQANCHMSA-N 406.373 3.739 0 50 HHAA Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(N4CCCC4)cc3C)n[nH]2)o1 919329823 WBIJNLBWXHFUAV-UHFFFAOYSA-N 408.458 3.682 0 50 HHAA COc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)cc1 952970468 RVKALBZOAOCYIE-INIZCTEOSA-N 400.906 3.560 0 50 HHAA Cc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)ccc1NC(=O)CN(C)C 952976241 FCCFUUDLOYZDIB-CYBMUJFWSA-N 407.873 3.694 0 50 HHAA NCc1cccc(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)c1 1857703711 XFPDDCDQDFSORM-DEOSSOPVSA-N 421.585 3.857 0 50 HHAA CN(CCc1cn[nH]c1)C(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857706420 QMVRMFPYEHGVRL-CQSZACIVSA-N 401.898 3.512 0 50 HHAA COc1ccc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1CN1CCCC1 1875245256 RLSXHKGUXNGJRD-JWQCQUIFSA-N 421.585 3.549 0 50 HHAA Cc1ccccc1[C@H](C)C(=O)NC[C@H](C)CNC(=O)CCC(=O)c1cccs1 2325825866 FSINEQBALJHYES-WBVHZDCISA-N 400.544 3.692 0 50 HHAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCOCC4)c(Cl)c3n2)cc1 848617 DUORWAFRXXGDPJ-UHFFFAOYSA-N 424.810 3.849 0 50 HHAA COc1ccc([C@@H]2SCC(=O)N2CCc2ccc(OC)c(OC)c2)c(OC)c1 859236 ZITWREFTEDDNOX-NRFANRHFSA-N 403.500 3.538 0 50 HHAA CCCC[C@H]1CN(CCC(=O)NCc2ccc3c(c2)OCO3)Cc2ccccc2O1 11787887 XSWVUEBXHXJWLA-FQEVSTJZSA-N 410.514 3.875 0 50 HHAA Cc1ncsc1CCC(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 11980261 LMYSNJHKKLMQPR-HNNXBMFYSA-N 414.918 3.614 0 50 HHAA Cc1c(C(=O)N(C)C(C)C)sc2ncnc(NC[C@@H]3COc4ccccc4O3)c12 12077812 XDVOELRCCHGHBR-CQSZACIVSA-N 412.515 3.732 0 50 HHAA Fc1ccc(CN2CCC[C@@]3(CCN(Cc4cccn4-c4ncccn4)C3)C2)cc1 12463579 QFZXDRNGHJGDHT-XMMPIXPASA-N 405.521 3.895 0 50 HHAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)CCN2CCCCC2)CC1 12758134 WYVPEXMACNBIIY-UHFFFAOYSA-N 420.981 3.930 0 50 HHAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 14970135 JHMCTLPZPBIZFH-MRXNPFEDSA-N 403.498 3.878 0 50 HHAA Cc1cc(C)n(-c2cccc(C(=O)N3CCC(=O)N(Cc4ccccc4C)CC3)c2)n1 14980698 PDEYBLRAKGNJIA-UHFFFAOYSA-N 416.525 3.672 0 50 HHAA O=C(NCc1ccco1)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 82092605 XVMDHLBETRAOTL-UHFFFAOYSA-N 409.574 3.705 0 50 HHAA O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 100082280 MNOAGBVLHAFMBY-NEPJUHHUSA-N 401.677 3.840 0 50 HHAA CC(C)=CC(=O)Nc1ccc(CC(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)cc1 170595480 KURGEKRNKXZNCD-HXUWFJFHSA-N 411.502 3.556 0 50 HHAA COC(=O)[C@@H]1CN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)C[C@H]1c1ccsc1 170601142 ZZLIUXFGGYDWOT-ZWKOTPCHSA-N 400.475 3.635 0 50 HHAA COc1ccc(C(=O)C[C@H](C)C(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 170617303 XNMTUYKQFSZDID-AZUAARDMSA-N 423.509 3.539 0 50 HHAA CCCCCn1c(=O)c(C(=O)Nc2ccsc2C(=O)OC)c(O)c2ccccc21 170624622 XLBBGIJNICFGPA-UHFFFAOYSA-N 414.483 3.998 0 50 HHAA CC1(CNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)COC1 170626240 KEGCKMQGFNLCRW-UHFFFAOYSA-N 412.287 3.826 0 50 HHAA O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](/C=C/c1ccccc1)N1CSC[C@@H]21 247753017 UNKLTRXXWKZTPX-OHQHDUCPSA-N 410.926 3.916 0 50 HHAA COc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4c(C)cc(C)cc4C)ccn3n2)cc1 263615303 BRQBGUQDRKZQGE-JOCHJYFZSA-N 403.482 3.830 0 50 HHAA CN(C)[C@@H]1CC[C@@H](NC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)C1 952891853 CRPHDOTYRLWJCV-WOJBJXKFSA-N 411.525 3.654 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)CC1 1875365390 STPHVJKBPISWSF-KRWDZBQOSA-N 412.477 3.747 0 50 HHAA C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(C)(C)Oc1cccc(-c2nc(=O)o[nH]2)c1 2325849929 GCWFQEORUJKURW-OXQOHEQNSA-N 421.497 3.982 0 50 HHAA Cc1cnc(C2(NC(=O)Nc3cccc(-c4noc([C@H]5CCCO5)n4)c3)CCC2)[nH]1 2325854258 VIHVFXVBPZOCGX-MRXNPFEDSA-N 408.462 3.821 0 50 HHAA O=C1CCC[C@H]2[C@@H]3C[C@@H](CN(c4ncc(Cl)cn4)C3)[C@H](Cc3cccc(F)c3)N12 2356143551 MLYKDXGHBQSOQP-LPWQTFTOSA-N 414.912 3.718 0 50 HHAA CSc1ccccc1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 1121784 VYZOCFZRCFIUOF-UHFFFAOYSA-N 400.525 3.966 0 50 HHAA CCc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 1147545 WFRUUYWTNFZDQC-UHFFFAOYSA-N 400.422 3.673 0 50 HHAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc2ccccc2cc1OC 1159347 PUYQXSXXBMFZMG-UHFFFAOYSA-N 410.451 3.682 0 50 HHAA CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccncc1 2393668 LXJRYKAJKHBOJI-UHFFFAOYSA-N 418.320 3.853 0 50 HHAA COC(=O)c1cc(NC(=O)COc2c(C)cc(C)cc2Cl)cc(C(=O)OC)c1 4313984 AFHSRWIIVYPEPT-UHFFFAOYSA-N 405.834 3.548 0 50 HHAA O=C(O)CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 4863065 MWYATKSUDJGVFA-OAHLLOKOSA-N 405.248 3.975 0 50 HHAA C[C@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)Nc1nccs1 9147003 BQLPTLXRNCYFQK-ZDUSSCGKSA-N 408.512 3.905 0 50 HHAA O=C1CSC(=O)N1CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C1CCCCC1 11705352 GJTQHSGHRNVOFU-NRFANRHFSA-N 411.527 3.869 0 50 HHAA O=C(NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1)C1(c2ccc(Cl)cc2)CC1 11812921 WICAWJNFTXTZEF-LJQANCHMSA-N 405.885 3.949 0 50 HHAA CC[C@@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCc1ccc(Cl)cc1)C2 12056929 RKECDGWJWFUYAC-DGCLKSJQSA-N 419.934 3.843 0 50 HHAA O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2cccc3[nH]ccc23)CC1 12296755 HQQQAEIXECEKPT-UHFFFAOYSA-N 400.482 3.566 0 50 HHAA biogenic O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl 19300971 NEJWFZUNQQAQEG-LBPRGKRZSA-N 406.524 3.752 0 50 HHAA CC1=Nc2cc(C(=O)NCCCN3CCN(C)CC3)ccc2Sc2ccc(C)cc21 20178939 NIVLACLCCNTJGE-UHFFFAOYSA-N 422.598 3.968 0 50 HHAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1 20454446 BACUGNPXIQBTDN-NRFANRHFSA-N 405.498 3.930 0 50 HHAA CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2Br)CC1 71789052 NZRLOFXPVBYRCJ-UHFFFAOYSA-N 421.133 3.664 0 50 HHAA in-vitro O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)N1CC[C@@H](C(CO)CO)C1 229400587 PFQYJDOUAYRYKT-QRWLVFNGSA-N 423.340 3.596 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 239306158 GMQIQKZJRYRUKH-YVZLVKDNSA-N 414.461 3.505 0 50 HHAA CCn1c(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)O)cc2ccccc21 431991446 LCCYYNWRIUZKAR-LJQANCHMSA-N 422.481 3.893 0 50 HHAA O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@@H](C(=O)O)[C@H]1CCCOC1 432108542 PSMPCTVKPDKWLC-QMHKHESXSA-N 424.472 3.903 0 50 HHAA CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 437357975 ITQRBIXRDVWWHV-QFBILLFUSA-N 424.925 3.796 0 50 HHAA O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CC[C@@]2(C1)OCc1ccccc12 472033554 OVCWYDRXZPLLEU-SANMLTNESA-N 424.456 3.759 0 50 HHAA O=C(NC[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1)c1ccco1 952974972 GGWPGISJRDNYKH-QGZVFWFLSA-N 402.498 3.872 0 50 HHAA C=CC(=O)Nc1ccc(O)c(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c1 1464694119 FLCVGZKUZGWFPM-UHFFFAOYSA-N 400.862 3.606 0 50 HHAA COc1cc(CN2C[C@H](Cc3cc(C)no3)[C@@H](O)C2)ccc1OCc1ccc(C)cc1 1616078270 BILPDZDXKCFXIK-GMAHTHKFSA-N 422.525 3.914 0 50 HHAA Cc1c(Cl)ccc2c(C(=O)N(CCO)Cc3cncn3C)cc(-c3ccco3)nc12 1704328038 WRJMVHXMRFRSLB-UHFFFAOYSA-N 424.888 3.825 0 50 HHAA CC[C@H]1CN(C(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)C[C@]2(CCCOC2)O1 1875262355 XZJKOKNLJSQLGM-YWZLYKJASA-N 423.435 3.691 0 50 HHAA Cc1nc2cc(O)nn2c(C)c1CC(=O)NC[C@@H](Oc1ccccc1)c1ccccc1 1875263092 FHKVMEFZRGSCBH-OAQYLSRUSA-N 416.481 3.531 0 50 HHAA CN1CCN(c2ccc(C(F)(F)F)cc2NCc2cnnn2-c2ccccc2)CC1 1875334904 JTJAORHRBSFOSU-UHFFFAOYSA-N 416.451 3.650 0 50 HHAA CCOc1cc2c(cc1NS(=O)(=O)c1cnn(-c3ccccc3)c1F)O[C@@H](C)C2 1875336363 YAVNCRZURAAIGQ-ZDUSSCGKSA-N 417.462 3.534 0 50 HHAA COc1cccc(/C=C/C(=O)Nc2cccc(COC(=O)c3cncnc3C)c2)c1 2325703572 ZTYIEVRAMIBGNR-MDZDMXLPSA-N 403.438 3.803 0 50 HHAA CS(=O)(=O)c1ccc2c(NC(=O)[C@H]3CCOc4ccc(Cl)cc43)cncc2c1 2325821253 YZZABCCJOKORAD-INIZCTEOSA-N 416.886 3.797 0 50 HHAA CCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC1)OCCc1cccc(OC)c12 2356141119 WARCHWNIXYBTJV-UHFFFAOYSA-N 411.546 3.814 0 50 HHAA COc1ccc(-c2onc(N3CCC[C@@H](OCc4cccnc4)C3)c2C(=O)O)cc1 2356154149 JOOANBLCMQHTRB-GOSISDBHSA-N 409.442 3.629 0 50 HHAA CCOc1c(OC)cccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)Nc2ncnn21 936841 DMFMEASWYQWXSQ-FQEVSTJZSA-N 420.469 3.718 0 50 HHAA Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccncc2)n1C 1119379 YIKQDVQRRBWZTG-UHFFFAOYSA-N 418.320 3.679 0 50 HHAA COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 1121920 QYVGYKLMWCIDBG-UHFFFAOYSA-N 408.951 3.983 0 50 HHAA COc1cccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 1155451 DTWDOYIMFIWVSX-UHFFFAOYSA-N 415.401 3.536 0 50 HHAA CCCCN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O 2816976 QRXABRLNNSMNKT-WQLSENKSSA-N 403.241 3.833 0 50 HHAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(F)(F)F)cc1 4451154 NXGUFZBGEYIBFQ-AWEZNQCLSA-N 404.410 3.509 0 50 HHAA Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)c1C 7219844 SYMMBOJXERZSQU-UHFFFAOYSA-N 411.571 3.566 0 50 HHAA Cn1c(CN2CCC[C@H](CNC(=O)c3cc4ccccc4[nH]3)C2)nc2ccccc21 11662029 PYBRLLFZXKBTPT-QGZVFWFLSA-N 401.514 3.697 0 50 HHAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)CSc2ccccc2)CC1 11662801 JSXJDOWVXRFPTF-GOSISDBHSA-N 405.560 3.910 0 50 HHAA CC[C@@H]1CN(CCC(=O)N2CCC[C@@H]2c2nccs2)Cc2cc(OC)ccc2O1 11910151 JJNMIPRSAJXCLP-IEBWSBKVSA-N 415.559 3.879 0 50 HHAA COc1ccc(N2C(=O)CN(Cc3coc4ccc(C)cc4c3=O)CC2(C)C)cc1 12037316 SNXVJAMGYPAVLT-UHFFFAOYSA-N 406.482 3.737 0 50 HHAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 12305631 HAJPAAHVERGFNC-SFHVURJKSA-N 405.454 3.830 0 50 HHAA CC1(C)C[C@@H](NC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CCO1 12319118 YWAVZMYEUHMVHK-FQEVSTJZSA-N 423.557 3.812 0 50 HHAA O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(Cc2cccc3cccnc23)C1 12429892 RIYDVGMUGZCAFR-FQEVSTJZSA-N 409.555 3.566 0 50 HHAA COc1ccccc1-n1c(=O)n(Cc2cc(C)ccc2C)c(=O)c2c(C)cc(C)nc21 12447209 WQRIIDKIPOWRAZ-UHFFFAOYSA-N 415.493 3.838 0 50 HHAA CC(C)COc1ccc(-c2nnc(SCC(=O)NCCc3ccccc3)n2C)cc1 13330609 WXWVOIJLGGPQBY-UHFFFAOYSA-N 424.570 3.968 0 50 HHAA COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)c1ccc2ccccc2n1 14888180 OHHOXHDHORCOFO-YWZLYKJASA-N 421.884 3.835 0 50 HHAA COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H](F)[C@@H]1/C=C/[C@H](O)C1Cc2ccccc2C1 27645810 SUQUNXDCROKALM-ZOXVUOEWSA-N 416.533 3.943 0 50 HHAA in-vitro CCc1ccc(CNC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1 169749871 SXLSHGQJSWSHIH-UHFFFAOYSA-N 406.452 3.899 0 50 HHAA COc1cc(OC)cc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CCCC(=O)O)c1 225780470 IBCAAQKIUCRROF-FQEVSTJZSA-N 414.433 3.776 0 50 HHAA C[C@H](OC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cnc2ccccc2c1 229784013 YKURNFIAWZHBTQ-QFBILLFUSA-N 403.482 3.855 0 50 HHAA CN(C)Cc1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1 240412690 FNUFYMYCJGJTTK-AWEZNQCLSA-N 416.400 3.644 0 50 HHAA Cc1cc(C(=O)Oc2ccccc2CNC(=O)OC(C)(C)C)ccc1-n1cncn1 253425964 WTPSSRBLYSGKIV-UHFFFAOYSA-N 408.458 3.820 0 50 HHAA Cc1ccc([C@H](CNc2nn3c(C(F)(F)F)nnc3c(C)c2C)N2CCCC2)o1 301740844 KUTLZFLFXNQNNB-AWEZNQCLSA-N 408.428 3.910 0 50 HHAA O=C(Cc1ccc2c[nH]nc2c1)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 793730525 SNPGTYZYZXBWGG-AREMUKBSSA-N 411.505 3.968 0 50 HHAA Cc1ccc(C(=O)N2CCC(C(=O)NC[C@H](c3ccc(C)cc3)N(C)C)CC2)cc1 952966628 FGZZGHSIHORZHG-HSZRJFAPSA-N 407.558 3.575 0 50 HHAA O=C(Nc1cccc(-n2cccn2)c1)c1cccc(OCC(=O)N2CCCCC2)c1 952967070 IKFCXKNPAAKWGO-UHFFFAOYSA-N 404.470 3.516 0 50 HHAA COCCc1noc([C@@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c(Cl)c2)n1 952970897 FUYPLGDGKKODCA-SFHVURJKSA-N 418.925 3.880 0 50 HHAA FC(F)(F)CCN1C[C@@H]2CN(Cc3cncnc3)C[C@@]2(CCc2ccccc2)C1 1772811244 SHKZLNAOAAQJSF-NHCUHLMSSA-N 404.480 3.796 0 50 HHAA COc1cccc(OC[C@@H](O)Cn2ccnc2-c2cc3cccc(C)c3nc2O)c1 1857685814 VKISUOBGDPFXSL-KRWDZBQOSA-N 405.454 3.561 0 50 HHAA C=CC(=O)NC[C@@H](NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1)c1ccc2ccccc2c1 1875386489 RLYARGKYLFAPJX-VWNXMTODSA-N 414.505 3.920 0 50 HHAA Cc1ccc(C(=O)N2CC3(CCC3)C[C@@H]2CNC(=O)c2cccn3ccnc23)cc1C 2325827157 XJGKQAPUCYNEBE-HXUWFJFHSA-N 416.525 3.766 0 50 HHAA Nc1cc(NC(=O)[C@H](NS(=O)(=O)c2ccccc2)c2ccccc2)ccc1Cl 2325850778 HOPJRLAVKATRLF-LJQANCHMSA-N 415.902 3.581 0 50 HHAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4cc(C(F)(F)F)ccc4Cl)C[C@@H]13)O2 2356137267 VNVBINMFQXOAAU-OAOQPFQOSA-N 402.844 3.540 0 50 HHAA Cc1nc(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3Cc2ccccc2)cs1 2356144111 JPVFEOWVXVVMHC-DXIQSLLYSA-N 419.550 3.585 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CC[C@@H](C)C2 715861 BGRJRYTTXMAGDM-MLGOLLRUSA-N 401.484 3.828 0 50 HHAA Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 797222 QMAQAFLAXSBHTF-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1003661 AVDWOAKIEOXPIY-UHFFFAOYSA-N 416.543 3.786 0 50 HHAA Cc1cccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccccc2)c1 1183933 PACXHASTGBXQOO-UHFFFAOYSA-N 408.523 3.815 0 50 HHAA O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 1426335 IPNRSHGALMZCND-UHFFFAOYSA-N 405.882 3.538 0 50 HHAA CCCCOC(=O)c1cccc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1801393 JXRMVHYYZWLWDY-FQEVSTJZSA-N 422.481 3.903 0 50 HHAA C[C@H](Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 2745830 KYALURAKTUIPDM-LBPRGKRZSA-N 415.902 3.839 0 50 HHAA CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCC)cc2)cc1 2852484 UFTVHSHRYISJLZ-UHFFFAOYSA-N 404.532 3.735 0 50 HHAA COc1ccc(OCC(=O)Nc2cc(C)c(I)cc2C)cc1 2853288 GMGVXVFNMLNMFE-UHFFFAOYSA-N 411.239 3.934 0 50 HHAA CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 4616339 GPOZKBAFUCAXSJ-QFIPXVFZSA-N 424.497 3.862 0 50 HHAA CC[C@@H](Oc1ccccc1)C(=O)NCCCCNC(=O)[C@@H](CC)Oc1ccccc1 4997525 AUWGVQFVPINIFI-FGZHOGPDSA-N 412.530 3.714 0 50 HHAA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2OC)CC1 5051445 FRDKQKJTWWMGKW-UHFFFAOYSA-N 401.894 3.660 0 50 HHAA CN(Cc1ccccc1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O 11870757 YPFRGIMVQTYLGD-VWLOTQADSA-N 422.500 3.814 0 50 HHAA Cc1ccc(C[C@@]2(CCC(=O)NCc3cn4c(C)c(C)sc4n3)CCC(=O)N2)cc1 12151371 VACQWIGFMKOMHX-HSZRJFAPSA-N 424.570 3.609 0 50 HHAA CSCc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)o1 12320571 FUHPOASCSDVPQA-IBGZPJMESA-N 413.587 3.878 0 50 HHAA O=C(c1ccc2oc(Cc3ccccc3)nc2c1)N1CCN(Cc2ccccn2)CC1 19792619 HCDGNALQGLWYSN-UHFFFAOYSA-N 412.493 3.772 0 50 HHAA CCN(CC)Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@@H]2CCNC2)cc1 28823615 XKPJTOHUPQWSOJ-HSZRJFAPSA-N 409.574 3.584 0 50 HHAA in-vivo COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc4ccccc34)n2)c(F)c1 49550784 XWTXFZYUVUMFHG-UHFFFAOYSA-N 403.413 3.850 0 50 HHAA CC(C)n1cc(-c2cc(C(=O)N3CCCN4CCC[C@@H]4C3)c3ccccc3n2)cn1 63870721 LHBGXBSVHLOJOT-LJQANCHMSA-N 403.530 3.990 0 50 HHAA CN(Cc1ccsc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 64015619 XULMGDZYWBLPJW-OAQYLSRUSA-N 407.539 3.876 0 50 HHAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccccc2C(F)(F)F)n1 72140572 AYDNFSNEJYSARX-UHFFFAOYSA-N 407.440 3.636 0 50 HHAA CCC1(CC)CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)C1 82106573 LOHCNZQMOTXGAU-QFIPXVFZSA-N 412.622 3.797 0 50 HHAA COC(=O)[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(C)C 211402268 QNRNGNKPJOONLE-LJQANCHMSA-N 413.470 3.711 0 50 HHAA O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)[C@@H](c1ccccc1)n1cnnn1 223237694 IFDFGGDCNCKFPR-FXAWDEMLSA-N 406.877 3.591 0 50 HHAA CCc1c(C(=O)N[C@H](CC(=O)O)c2cccc(Br)c2)[nH]c(C)c1C(C)=O 237109905 OCYBMTLGJPBCIA-OAHLLOKOSA-N 421.291 3.796 0 50 HHAA C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)[C@H]1C[C@H]2CC[C@H]1C2 240333423 FDDBPKZHODQGNA-ULCIARCBSA-N 419.525 3.548 0 50 HHAA COc1ccc(-c2ccnc3nc(-c4cc(OC)c(OC)c(OC)c4)nn23)cc1OC 253408821 LCYNGZAMRKVFEO-UHFFFAOYSA-N 422.441 3.501 0 50 HHAA COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCc1ccccc1)Cc1cccs1 253420750 DFONVOUMVHGQNT-IBGZPJMESA-N 418.559 3.859 0 50 HHAA COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc3c(c2)OCO3)cc1C 253429510 SUNMWWVAFSNUFN-UHFFFAOYSA-N 412.467 3.523 0 50 HHAA O=C([C@H]1CCc2c[nH]nc2C1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 463612381 MRXRGELVELDJSH-GOEBONIOSA-N 411.893 3.624 0 50 HHAA Cc1nn(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(C)c1C 722977654 VEAQKXULUVWFAL-JOCHJYFZSA-N 419.481 3.800 0 50 HHAA O=C(CCc1nc(-c2ccccc2F)no1)N[C@@H]1CCCN(Cc2cccs2)C1 828013084 OKEHLCORHNJRBR-OAHLLOKOSA-N 414.506 3.651 0 50 HHAA CCC[C@@H](C(=O)N1CCC2(CC1)OCCc1cc(OC)c(OC)cc12)n1cccc1 1704325799 SDBSPWHQLKUTKV-FQEVSTJZSA-N 412.530 3.937 0 50 HHAA O=C(Cc1csc(-n2cccc2)n1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1772492723 JTCLJYMUOBTSMU-KLJZETAQSA-N 422.598 3.898 0 50 HHAA CCCCN1CCC[C@]2(CCc3c2nc(C(C)(C)C)[nH]c3=NCc2cnn(C)c2)C1 1875248059 WDYRUTOTOFZTFQ-DEOSSOPVSA-N 410.610 3.622 0 50 HHAA O=C(NS(=O)(=O)[C@H](Cc1ccccc1)c1ccccc1)[C@H]1Cc2ccc(F)cc21 1875255120 KRDROPQDYMQVSM-FCHUYYIVSA-N 409.482 3.895 0 50 HHAA Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)cc1 1875328249 HZRSLBKWROYSDB-UHFFFAOYSA-N 423.416 3.627 0 50 HHAA O=C(Nc1cnn2cccnc12)N1CCC[C@H]1COc1ccc(Br)cc1 2325818593 LRRVVVHKIHQTIE-AWEZNQCLSA-N 416.279 3.567 0 50 HHAA CCc1cccc(CC)c1NC(=O)Cn1cnc2ccc(Br)cc2c1=O 630062 QVOAZVPJOMHBKV-UHFFFAOYSA-N 414.303 3.923 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCC3)cc2)cc1C 938149 JEBZSMBYVCRIMP-UHFFFAOYSA-N 417.556 3.717 0 50 HHAA Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)c(Br)c1 1125152 IFUIUHQKJNZIAR-UHFFFAOYSA-N 407.293 3.877 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccc(F)cc2)cc1 1160661 DSVVLGKKFVMTOY-UHFFFAOYSA-N 412.486 3.964 0 50 HHAA Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 2872868 NXBDLMLGQBWICP-UHFFFAOYSA-N 411.483 3.685 0 50 HHAA C[C@@]1(O)N(CCC(=O)Nc2ccccc2C(F)(F)F)C(=O)OC12CCCCC2 4786481 ZFNGDGHKCPNKEI-KRWDZBQOSA-N 400.397 3.898 0 50 HHAA Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@@H]2C)c(C)o1 5058487 NMLKCZZNLXQRTH-YJBOKZPZSA-N 404.532 3.568 0 50 HHAA O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1 12092739 QPZQXBRJTUDKHQ-UHFFFAOYSA-N 406.486 3.915 0 50 HHAA COc1ccc(C(=O)NC2CC2)c(OC2CCN(C[C@H]3CCOC(C)(C)C3)CC2)c1 12474876 HKULRZNSIOJKQI-KRWDZBQOSA-N 416.562 3.636 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CC(=O)c2ccccc21 12706873 GLQKNOKMSUCPSS-HSZRJFAPSA-N 408.517 3.909 0 50 HHAA CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NC2CCCCCCC2)c1=O 15001711 PAEDXAAWYOAREE-UHFFFAOYSA-N 403.567 4.000 0 50 HHAA CCCc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 17082554 YROGWDDLISWFKY-UHFFFAOYSA-N 402.604 3.914 0 50 HHAA COc1ccccc1NC(=O)c1c(NC(=O)C[C@H](C)CC(=O)O)sc2c1CCC2 17090675 NJXMNBYWORMEGH-LBPRGKRZSA-N 416.499 3.937 0 50 HHAA O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1F 23382411 NANFCYUNPXMFLL-HXUWFJFHSA-N 415.428 3.687 0 50 HHAA COc1ccc(-c2cc(N3CCCN(C(=O)Cc4ccc(C)cc4)CC3)[nH]n2)cc1 169753094 CVTHFCIMAJMNGR-UHFFFAOYSA-N 404.514 3.675 0 50 HHAA CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NCc1cnc(-c2ccccc2)s1 408516873 JIUWVJLOJPAIHE-UHFFFAOYSA-N 416.572 3.739 0 50 HHAA C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CC2CCC(c3ccccc3)CC2)C1=O 436048088 JIHNQFRJXALEHW-HJMRYINQSA-N 405.498 3.527 0 50 HHAA O=C(Nc1cccnc1OCC(F)F)N1CCC[C@](CO)(Cc2ccccc2)C1 463634558 MDMRYRGINJKFID-NRFANRHFSA-N 405.445 3.575 0 50 HHAA Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cn(-c3ccccc3Cl)nn2)CC1 804514139 FTCWFONSADYRRD-OAQYLSRUSA-N 410.905 3.815 0 50 HHAA O=C(O)c1c(NC[C@@H]2CC(=O)N(C3CCCC3)C2)noc1-c1ccc(Cl)cc1 1704315601 LSJFNZAEUWJJPM-LBPRGKRZSA-N 403.866 3.896 0 50 HHAA COc1cc(C)ccc1CN1C[C@@H]2CN(Cc3cccc(SC)c3)C[C@]2(CO)C1 1772708580 IQOLTSAUJPBLNE-XUZZJYLKSA-N 412.599 3.652 0 50 HHAA COc1ccccc1[C@@H](CNC(=O)c1cc(C)nc2onc(C3CC3)c12)N1CCCC1 1875254827 HEBQLIFELHPPMW-LJQANCHMSA-N 420.513 3.984 0 50 HHAA COc1cc(C)ccc1Oc1nn(C)cc1NC(=O)Nc1ccc(-n2cncn2)cc1 1875272778 PSHMRXXOHNQKGO-UHFFFAOYSA-N 419.445 3.754 0 50 HHAA O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)N1CC[C@H](c2cccnc2)C1 1875315029 FORKCOISHAEFLP-UDIDDNNKSA-N 403.526 3.871 0 50 HHAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C1)CC2 2356140748 PDPAELCKNAWYPQ-HXUWFJFHSA-N 405.329 3.970 0 50 HHAA Cn1ncc(Cl)c1C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356153873 YGNJYWVHJVFKHX-QFIPXVFZSA-N 407.905 3.651 0 50 HHAA Cc1ccc(C)c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 786636 PFHRKHWHWAGWPL-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1 1019741 XIPAZCOOEDVNGI-UHFFFAOYSA-N 400.544 3.699 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 1171368 JWFYOZCNOXECOV-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA CCOC(=O)c1cccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 1749244 NICHPBRCVDSEQD-UHFFFAOYSA-N 408.454 3.658 0 50 HHAA CCOC(=O)c1ccc(COC(=O)c2cc(Br)ccc2NC(C)=O)cc1 2861358 PNUMMMGXNSUANP-UHFFFAOYSA-N 420.259 3.941 0 50 HHAA COc1cccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)c1 8904353 LDEIPHZAMZBWRY-UHFFFAOYSA-N 415.921 3.906 0 50 HHAA CCN(CC)[C@@H]1CCN(C(=O)c2sc3ncnc(N4CCCCCC4)c3c2C)C1 11784141 BKTCYWOOGYSUNP-QGZVFWFLSA-N 415.607 3.936 0 50 HHAA CC(=O)Nc1cnn(-c2ccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cc2)c1 12244335 XZNOUUWMFFGTAE-UHFFFAOYSA-N 418.375 3.659 0 50 HHAA CC(=O)c1cccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1 12380215 APSCIHZONJIRJR-UHFFFAOYSA-N 422.506 3.961 0 50 HHAA COc1ccc(NC(=O)CC[C@H]2CCCN(S(=O)(=O)c3ccsc3)C2)c(C)c1 12463563 MUXLCTDYXZBRDF-MRXNPFEDSA-N 422.572 3.885 0 50 HHAA O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)OCc1ccccc1 13614810 HRJCMADMXCKONH-XIGIHCPSSA-N 423.468 3.622 0 50 HHAA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)NC2CC2)C1 17087455 LWFKQWUVZLKPQW-GFCCVEGCSA-N 406.548 3.985 0 50 HHAA O=C(NC1CC1)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 17088515 HGKGBDROGUSSSG-HZPDHXFCSA-N 410.495 3.913 0 50 HHAA O=C(c1nc2sccn2c1CNCCc1ccccc1C(F)(F)F)N1CCCC1 20389177 KLRXGPYAJNFFHW-UHFFFAOYSA-N 422.476 3.983 0 50 HHAA Cc1ccc(-n2cc(CNCCN3CCC[C@H](O)C3)c(-c3cccc(C)c3)n2)cc1 20995168 XCHNHACIKYPMIO-DEOSSOPVSA-N 404.558 3.702 0 50 HHAA CCNC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2)CN1Cc1ccc2ccccc2c1 23362295 VTTAPJFYYROSDO-RPWUZVMVSA-N 405.517 3.848 0 50 HHAA Cc1ccc(CN2CCC(N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)o1 82086569 BSHDCGMGLPAUMN-JOCHJYFZSA-N 409.574 3.623 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccc3CN3CCCC3=O)cc2)n1 149003391 HHYLDMQYGZWFMT-UHFFFAOYSA-N 416.525 3.601 0 50 HHAA COc1ccc2[nH]c([C@H](C)NC(=O)[C@H](C)Oc3ccccc3Br)nc2c1 170598437 ALMNFFFQMZMFEG-RYUDHWBXSA-N 418.291 3.979 0 50 HHAA COc1cc(/C=C/C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)cc2c1OCCO2 170624879 CJNXOQVKGUUMCT-KXPUMZMLSA-N 400.500 3.781 0 50 HHAA COC(=O)[C@](C)(NC(=O)c1cc2sc(N3CCCC3)nc2s1)c1ccccc1 225419524 RNSQOHLPGMTRNP-HXUWFJFHSA-N 415.540 3.776 0 50 HHAA C[C@H](OC(=O)CCc1nc(-c2ccsc2)no1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 248140805 FMUDVGOAXTVZNX-HGTKMLMNSA-N 405.520 3.603 0 50 HHAA COc1ccc(-c2csc(C3=C(O)CN(CCCc4nc(C)no4)C3=N)n2)cc1 253394436 BCNGZUOLJPZGLB-UHFFFAOYSA-N 411.487 3.705 0 50 HHAA CC(C)Cn1c(=O)nc(O)c2c(C(=O)N3CC4(CCC4)[C@H]3C3CC3)cc(C(C)C)nc21 460979700 MRVQSLBGRRXNFP-LJQANCHMSA-N 424.545 3.681 0 50 HHAA O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccnc(NC(=O)C2CC2)c1 462367524 CWUPNEWVILSXPR-JCNLHEQBSA-N 414.303 3.869 0 50 HHAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1cccc(-c2ccc(F)cc2)c1 670448094 NCBQIPQDUYYKDK-HSZRJFAPSA-N 405.473 3.691 0 50 HHAA CN[C@H](c1ccc(OC(F)(F)C(F)F)cc1)c1nnnn1-c1c(C)cccc1C 823870762 BQTNYPOILSTINC-OAHLLOKOSA-N 409.387 3.825 0 50 HHAA O=S(=O)(c1ccc2nc[nH]c2c1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 952962154 BGYGQTLFDFXJGE-HSZRJFAPSA-N 424.570 3.630 0 50 HHAA CC(=O)N1Cc2ccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)cc2C1 1319107407 OQTNPDZPIDXCIU-UHFFFAOYSA-N 404.445 3.615 0 50 HHAA CO[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1Cc1cc(C)no1 1529152476 TWSAMMGYAVBTBP-BZNIZROVSA-N 402.800 3.985 0 50 HHAA CN(C[C@@H]1CC12CCN(Cc1ccccc1I)CC2)C1CC1 2325720309 MXWLONBHKSMXFM-INIZCTEOSA-N 410.343 3.988 0 50 HHAA COc1cc(CN(C(=O)c2cnc3cc(Br)ccn23)C2CC2)ccc1O 2325823944 JJBKMFCVPAHEON-UHFFFAOYSA-N 416.275 3.616 0 50 HHAA Cc1cc(C)c2c(C)c(C(=O)N[C@H](CCc3c[nH]nc3C(F)(F)F)C(=O)O)[nH]c2c1 2325877639 WDFYCIJUMQNZRJ-CYBMUJFWSA-N 422.407 3.651 0 50 HHAA O=C(c1ccc(-c2cnc3cnccn23)cc1)N1CCC2(CC1)CNc1ccccc12 2356138194 HRXDIRPFYNYHGQ-UHFFFAOYSA-N 409.493 3.996 0 50 HHAA O=C(NC(=S)Nc1ccc(I)cc1)c1ccc(F)cc1 671665 SZJIWWGPLCDQHI-UHFFFAOYSA-N 400.216 3.557 0 50 HHAA CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3cccc(OC)c3)cc2oc1=O 1123194 QVSSIHPHTWWBHE-UHFFFAOYSA-N 424.449 3.867 0 50 HHAA biogenic CCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21 1132751 DJLQWQYQRBSPBD-SFHVURJKSA-N 408.679 3.930 0 50 HHAA C[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 2957956 PBQSEDYIRUFVEK-KRWDZBQOSA-N 412.486 3.898 0 50 HHAA O=c1c2ccccc2ncn1CCOCCOc1ccc(Br)cc1Cl 3001061 QVFWQLMISWZPFJ-UHFFFAOYSA-N 423.694 3.908 0 50 HHAA Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)CCOc2ccccc2)C3)n1 11965563 PGJHKGWCXZLXDO-HXUWFJFHSA-N 403.482 3.649 0 50 HHAA COC[C@H]1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 12074210 NYLCWZPUVBALBO-IBGZPJMESA-N 405.498 3.795 0 50 HHAA Cc1noc(C)c1CCC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1 12194098 LAPRXYGVXCFEOA-INIZCTEOSA-N 403.910 3.546 0 50 HHAA COc1ccc(CC2=NO[C@@H](C(=O)NCc3csc(-c4cccs4)n3)C2)cc1 12279284 HNGYKFVRBLAZSI-QGZVFWFLSA-N 413.524 3.884 0 50 HHAA COc1ccc(-c2ncc(CN3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)cn2)cc1 12300822 KAUUPZPROPIMAH-HXUWFJFHSA-N 418.497 3.957 0 50 HHAA Cn1cc(CN2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)cn1 12760118 AFJCTLZQQAGXEZ-UHFFFAOYSA-N 416.953 3.789 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cccn3-c3cccnc3)C2)cc1OC 13594956 QHSQMXUGWJUSOH-LJQANCHMSA-N 405.498 3.984 0 50 HHAA O=C(N[C@@H](C(=O)O)[C@H](O)c1ccccc1)OCC1c2ccccc2-c2ccccc21 14632648 UPEAXWJZGLFDFI-FGZHOGPDSA-N 403.434 3.712 0 50 HHAA COc1cccc([C@@H]2CCCCN2C(=O)c2cn(Cc3c(F)cccc3F)nn2)c1 14979184 YAJWSNVMKGXXSS-NRFANRHFSA-N 412.440 3.981 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)c(C)c1C 20234400 DNHYOAIUKCOWJH-DEOSSOPVSA-N 410.558 3.583 0 50 HHAA COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)N(Cc3cc(F)ccc3F)C2)cc1 55132298 ZHPXGKBNGDZNIW-QUCCMNQESA-N 406.498 3.797 0 50 HHAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 101701407 QJLPNUKLNVJJCT-TWOQFEAHSA-N 418.946 3.840 0 50 HHAA Clc1ccccc1[C@H]1Cn2nnc(-c3noc(COc4ccccc4)n3)c2CO1 169769173 PZRRKYJZJUGIJG-QGZVFWFLSA-N 409.833 3.832 0 50 HHAA COc1ccc(F)cc1CN1CCN(C(=O)c2nc(-c3ccccc3)cs2)CC1 170623608 RNEFTDCHCAAUPP-UHFFFAOYSA-N 411.502 3.916 0 50 HHAA COc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccc(OC)cc43)cn2)c1 824788033 YGQSSHDBCQMDAB-LJQANCHMSA-N 419.437 3.956 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 882024 BVIDCMIWGXUTMZ-UHFFFAOYSA-N 417.494 3.864 0 50 HHAA O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 915717 ZGSXEXBYLJIOGF-BTYSMDAFSA-N 409.445 3.799 0 50 HHAA in-vitro CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1105840 LDDAUPMLZAFIRQ-OAQYLSRUSA-N 420.444 3.869 0 50 HHAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CCN4CCCC4=O)C3)C2)cc1 12058634 CWSRJSIHKQQKIE-VWLOTQADSA-N 411.590 3.637 0 50 HHAA COc1ccccc1/C=C/CN1CCC2(CC1)C[C@@H]2C(=O)NCc1cccc(C)n1 12135943 OTMLJAHXNUWWMZ-MECCDNJOSA-N 405.542 3.830 0 50 HHAA CSc1ccccc1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCCc1ccncc1 12243626 ANLZRZMVPZIDND-HXUWFJFHSA-N 423.582 3.795 0 50 HHAA Cc1ccc(-c2noc(CNC(=O)c3ccccc3I)n2)cc1 13957853 BSDJPKPQGXJONM-UHFFFAOYSA-N 419.222 3.580 0 50 HHAA Cc1cnc(-n2ncc(C(=O)NCc3ccon3)c2C(C)C)nc1-c1ccc(F)cc1 14994440 HFBJBCMDSOZDDI-UHFFFAOYSA-N 420.448 3.818 0 50 HHAA CCCCc1ccc(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 17082046 DODHRDXFFXKUKN-UHFFFAOYSA-N 400.544 3.743 0 50 HHAA O[C@@H](COc1ccc(OCc2ccccc2)cc1)CN1CCN(c2ccccc2)CC1 19898677 LEQITQQPXXNOSW-XMMPIXPASA-N 418.537 3.828 0 50 HHAA CN(CCCCN1CCOCC1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 20598522 XTVWHUDOMAOEPX-UHFFFAOYSA-N 421.541 3.797 0 50 HHAA CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCN(Cc2ccccc2F)CC1 67603442 OTIPIXBOOSHFKG-UHFFFAOYSA-N 408.477 3.746 0 50 HHAA O=C(CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)cc1 95496396 LAYYXIGFCWOFMS-OAHLLOKOSA-N 409.294 3.997 0 50 HHAA O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc(F)c(Cl)nc1Cl 170624816 QGWGODGWRQXASM-LLVKDONJSA-N 402.640 3.716 0 50 HHAA C[C@@H]1CC(CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)C[C@@H](C)O1 225623978 RKUHIYNYQJOPTG-CHWSQXEVSA-N 418.440 3.856 0 50 HHAA C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)[C@@H](O)c1c(F)cccc1Cl 229931520 MYUAXTCHWOSPDV-TVSHIAKJSA-N 404.869 3.608 0 50 HHAA O=C([C@H]1CC[C@H](O)CC1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 240971745 UCCFHIDCRPXHGE-QWFCFKBJSA-N 406.517 3.576 0 50 HHAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 241135445 JPJIURBMNNBYJB-IRLDBZIGSA-N 412.555 3.830 0 50 HHAA Cn1nc(Br)c2c(N[C@@H](CO)c3c(Cl)cccc3Cl)ncnc21 252479409 BEHQSWFYYCUMRT-VIFPVBQESA-N 417.094 3.578 0 50 HHAA CC(C)(C)c1nnc2ccc(N3CCO[C@@H](c4ccc(OC(F)F)cc4)C3)nn12 480428405 VFFNZNFNJPIHIF-OAHLLOKOSA-N 403.433 3.601 0 50 HHAA CC(=O)Nc1cccc(S(=O)(=O)N[C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)c1 670469271 JFXLNQZZCYAPHJ-LJQANCHMSA-N 400.504 3.505 0 50 HHAA Nc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc(Cl)n1 726769760 INSBJKLJTZGXHL-KRWDZBQOSA-N 407.861 3.613 0 50 HHAA Cc1ccccc1OC[C@@H]1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 952963972 LIVKVSLZYPVOQL-QGZVFWFLSA-N 413.495 3.581 0 50 HHAA COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CC[C@@]2(CNC(=O)CO2)C1 1772818121 MLOSLGBTPZRTMG-XMMPIXPASA-N 406.482 3.508 0 50 HHAA Cc1cccc(OC2CN(C(=O)[C@H]3CC(=O)N(c4nc5ccc(C)cc5s4)C3)C2)c1 1857715324 MLBNNUSUJINDHM-INIZCTEOSA-N 421.522 3.556 0 50 HHAA CCCN=c1[nH]c(-c2cccnc2)nc2c1CC[C@]21CCCN(Cc2cc(C)no2)C1 1875247582 XNFXXBXUYGKTDI-DEOSSOPVSA-N 418.545 3.559 0 50 HHAA Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)ccc1Cl 677171 FAMCSLLXNCHNLV-UHFFFAOYSA-N 410.923 3.743 0 50 HHAA COc1ccc(OC)c([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)c1 683369 YMTZXJCRWWZPDL-HXUWFJFHSA-N 424.482 3.722 0 50 HHAA Cc1ccccc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(C)(=O)=O 711746 KDFXKZWONHPYCI-UHFFFAOYSA-N 422.550 3.990 0 50 HHAA Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1C 881437 DYMOCPURRBCSIN-UHFFFAOYSA-N 403.935 3.920 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccccc2C)cc1 889091 BXSNVWHWAOKJNU-UHFFFAOYSA-N 400.544 3.901 0 50 HHAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(c1ccccc1)c1ccccc1 1123721 ASNPNQXXFZEAIY-UHFFFAOYSA-N 400.478 3.930 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 1168077 JQERLHNOYRUEQZ-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA C[C@H](NC(=O)c1cccc(I)c1)c1ccc2c(c1)OCCO2 2887659 SZOSRKGUNCQBDO-NSHDSACASA-N 409.223 3.553 0 50 HHAA C[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1 3004884 WOUPSKHTIXFKFF-SFHVURJKSA-N 400.544 3.887 0 50 HHAA NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 4180070 DIKJZBPRGIMLAY-STQMWFEESA-N 404.875 3.773 0 50 HHAA Cc1ccccc1CC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccsc2)C1 11881141 QSYFWEVGNFKIMD-UHFFFAOYSA-N 419.550 3.817 0 50 HHAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N(C)[C@@H](C)c2cccs2)c1=O 11999896 GAODXLJUAASIPG-AWEZNQCLSA-N 401.532 3.608 0 50 HHAA COC(=O)c1cc(CNC(=O)c2cccnc2)cc(NC(=O)c2ccccc2Cl)c1 12029463 HSGSOWVKZVWTGA-UHFFFAOYSA-N 423.856 3.704 0 50 HHAA Cc1n[nH]c(C)c1CCN1C(=O)CC[C@@H]1CCNCc1cccc(C(F)(F)F)c1 12055236 JABBDEWOLVMFRG-GOSISDBHSA-N 408.468 3.759 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 12056598 UHLQKDVYINWYRN-IBGZPJMESA-N 406.482 3.523 0 50 HHAA COc1cc(OC)c(CN2CCC(CO)(CCOc3ccccc3)CC2)c(OC)c1 12471760 IEOQQEYUAGXHTN-UHFFFAOYSA-N 415.530 3.756 0 50 HHAA CSc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@@H](NC(C)=O)C(C)C)O3)cc1 14970247 XLCXIEUAZWQWBU-KNQAVFIVSA-N 412.555 3.656 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)cc1 15070083 XCCDXSTZBRJOOQ-GOSISDBHSA-N 412.505 3.921 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(Cc3cc(C)c(C)o3)CC2)c(Cl)c1 15078699 GIPQCLZBFHYPME-UHFFFAOYSA-N 420.937 3.969 0 50 HHAA O=C(O)CCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCC2 17081972 CPSXQXGIQFTEPV-UHFFFAOYSA-N 400.500 3.750 0 50 HHAA CO[C@@H](c1ccccc1)c1nnc(CCC(=O)NCc2csc(C(C)C)n2)o1 19740075 QPBPFASPNHCMKZ-SFHVURJKSA-N 400.504 3.634 0 50 HHAA COc1cc(Cl)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl 22298946 HELYOZSRJOOTPH-UHFFFAOYSA-N 415.342 3.509 0 50 HHAA CCC(=O)NCCCOc1cccc(CN2CCN(c3cccc(C)c3C)CC2)c1 55100297 ZJTJYIWUXANENH-UHFFFAOYSA-N 409.574 3.921 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3C[C@@H](c4ccccc4)[C@@H]4[C@H]3C3CCN4CC3)n[nH]2)o1 95362287 GOMHHPMYBVTYEC-CDNPAEQRSA-N 402.498 3.681 0 50 HHAA CC(C)C[C@H](C)NC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760276 GXHUECHGURSDFJ-KRWDZBQOSA-N 406.530 3.588 0 50 HHAA Cc1nc(N2CCC(C(=O)NCc3cc(F)cc(F)c3)CC2)cc(C(F)(F)F)n1 169772565 JNMXWEDLKGIYEV-UHFFFAOYSA-N 414.378 3.615 0 50 HHAA C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nnc2ccc(-c3ccccc3)nn12 169778336 OAPBQRXSQVDCOW-AWEZNQCLSA-N 407.861 3.528 0 50 HHAA NC(=O)NC1CCN(C(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CC1 170596626 JSFQDLCMFOXIAC-UHFFFAOYSA-N 407.898 3.903 0 50 HHAA CN(CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)[C@H](CO)c1cccc(F)c1 247919447 BZZAOVYCCRKIDM-KNQAVFIVSA-N 416.493 3.897 0 50 HHAA O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccc(Cn2cnnn2)cc1 253411740 PAXWCZOXSFOHMY-GOSISDBHSA-N 406.877 3.664 0 50 HHAA CN(CCc1ncon1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 426473340 BGTHKEWTPLTFBN-UHFFFAOYSA-N 407.861 3.890 0 50 HHAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCc1csc(-c2cnccn2)n1 827844461 MUJLEXIMWDHGTJ-UHFFFAOYSA-N 400.573 3.918 0 50 HHAA CN(Cc1cccc(-n2cccn2)c1)C(=O)CCSc1ccc2c(c1)OCCO2 1506412357 XQMONJYGOURVGY-UHFFFAOYSA-N 409.511 3.784 0 50 HHAA O=C(NC1CC1)c1ccnc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)c1 1704311095 YAPSWLTYNNIWHF-UHFFFAOYSA-N 402.498 3.524 0 50 HHAA O=C(c1cccc2cccnc12)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857737019 STJNNOJKRIOYGW-UPVQGACJSA-N 401.510 3.913 0 50 HHAA O=C(c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)N1CCOCC1 848734 SEKYCDLUHWLKDK-UHFFFAOYSA-N 410.783 3.541 0 50 HHAA O=C(O)CCCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 993364 AHXLKAODOALPHZ-UHFFFAOYSA-N 403.818 3.573 0 50 HHAA CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 1118472 ATEXUXWABFDANX-INIZCTEOSA-N 420.918 3.582 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)cc2)c(OC)c1 1159017 VUCNFJOWPZTQDG-GOSISDBHSA-N 401.850 3.624 0 50 HHAA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc(Br)cc2)NC(=O)N1 1159144 DWKAXHJSKGXBLJ-MRXNPFEDSA-N 422.229 3.994 0 50 HHAA COc1cc(NC(=S)NC(=O)c2ccccc2F)ccc1NC(=O)c1ccco1 1170291 GBQZHSYJHCSQSH-UHFFFAOYSA-N 413.430 3.806 0 50 HHAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)cc1 1191967 FVCFYJCZOATPLB-QGZVFWFLSA-N 416.275 3.724 0 50 HHAA CC(C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 2813887 BCDICUOXKUKOMV-UHFFFAOYSA-N 401.315 3.713 0 50 HHAA CCOc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 2930632 GILZZIMCBYJECK-UHFFFAOYSA-N 424.950 3.849 0 50 HHAA COCCN1CCC(CN(Cc2ccncc2)Cc2ccc(OC)cc2F)CC1 11822111 JKQKXFWJPOPFRN-UHFFFAOYSA-N 401.526 3.590 0 50 HHAA CN1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)(c2ccccc2)CC1 11954594 VUOVPTGPSWPJRB-JOCHJYFZSA-N 409.549 3.570 0 50 HHAA CC(C)CN1CCC([C@]2(Cc3ccccc3Cl)NC(=O)N(CC3CC3)C2=O)CC1 12038395 MKDCIAWZOTYRHI-QHCPKHFHSA-N 417.981 3.951 0 50 HHAA CCN(CC)C[C@H](O)COc1cc(CNCCc2cccc(Cl)c2)ccc1OC 12056135 AANSUGYZXODQBE-NRFANRHFSA-N 420.981 3.762 0 50 HHAA COC[C@H]1CCCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 12204299 RRRHKABADCYNNH-KRWDZBQOSA-N 404.580 3.661 0 50 HHAA O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCCc1ccccn1 12449059 HRVVVFAGNQGFMP-UHFFFAOYSA-N 410.905 3.880 0 50 HHAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3occc3C)CC2)cc1 12469088 VHEAZZQIXYNDTP-UHFFFAOYSA-N 408.458 3.523 0 50 HHAA COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)/C=C/c3cccs3)C1)CC2 12470205 BUOAUVZTDOBLNV-IHHMQQGQSA-N 412.555 3.828 0 50 HHAA CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 12471337 FPCLOUIBPSRYAL-HXUWFJFHSA-N 422.481 3.985 0 50 HHAA CCn1cc(CN2CCC(Oc3cccc(C(=O)NCc4ccccc4)c3)CC2)cn1 12573740 WACMJJDOSNOZIP-UHFFFAOYSA-N 418.541 3.876 0 50 HHAA COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2nonc2C)c(F)c1 12704733 SLNJQBOCFHGXJO-QHCPKHFHSA-N 420.444 3.724 0 50 HHAA CC(C)=CC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 12760591 XDLJQFUUNARBGR-UHFFFAOYSA-N 406.526 3.995 0 50 HHAA O=C(Nc1ccnn1Cc1ccccc1)c1cc(-c2ccc3c(c2)OCCO3)on1 13689419 HKOXDNJNAAGZKN-UHFFFAOYSA-N 402.410 3.610 0 50 HHAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN([C@@H](C)CCSC)CC2)c1 15063110 OHOXUWAWULAMTD-KRWDZBQOSA-N 406.592 3.916 0 50 HHAA COc1cc(-c2nc(CN(C)Cc3nc(-c4ccncc4)no3)c(C)o2)ccc1F 15078112 ZPYSZRNDONVOTK-UHFFFAOYSA-N 409.421 3.875 0 50 HHAA O=C([C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1 20541706 IOCXSNIZVMPXIC-QHCPKHFHSA-N 409.618 3.733 0 50 HHAA Cc1cc(C)cc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 20599875 LNHTVYXMFKWMCQ-QFIPXVFZSA-N 421.545 3.673 0 50 HHAA CCNC(=O)COc1ccc(-c2csc3ccccc23)cc1CN1CCOCC1 20913661 XOSFDJOGVMUAIT-UHFFFAOYSA-N 410.539 3.915 0 50 HHAA O=C1[C@H]2[C@@H](c3ccc(Cl)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 138561105 GKVDWFQQUGKLFR-RCCFBDPRSA-N 420.271 3.668 0 50 HHAA CN(C)c1cccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1 169753525 WWEAXIGJUPVCSY-LJQANCHMSA-N 407.493 3.681 0 50 HHAA CC(C)CNC(=O)c1ccc(NC(=O)NCC(C)(C)CN2CCCC2)cc1Cl 170611203 XWTXJGZTAADVRN-UHFFFAOYSA-N 408.974 3.969 0 50 HHAA COc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)ccc1Cl 170623929 AVCKBTHNTZMSGS-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3Cl)C2)c1 225848006 IUFTYRGGILMKRX-GOSISDBHSA-N 416.861 3.900 0 50 HHAA COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccccc5OC)no4)c3CO2)cc1 263615742 DZUKSGWNIFXUCV-IBGZPJMESA-N 404.426 3.889 0 50 HHAA O=C(Cc1ccnc(O)c1Br)N[C@@H](c1cccc(F)c1)c1ccccn1 486435208 YKJSVNXFIAWSGR-SFHVURJKSA-N 416.250 3.532 0 50 HHAA Cc1ccc2c(CC(=O)N[C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c[nH]c2c1 787400363 ZSTWXUOFTYLRMR-HXUWFJFHSA-N 411.452 3.604 0 50 HHAA Cc1nc(C2CC2)sc1C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 1875252035 NXSZGGIBUZRZMR-UHFFFAOYSA-N 418.320 3.984 0 50 HHAA CC(=O)N[C@@H](CC(=O)Nc1n[nH]c2ccc(Br)cc12)c1cccs1 1875356938 SLQWNMFXBQXXHQ-ZDUSSCGKSA-N 407.293 3.593 0 50 HHAA O=C(N1CCC12CCC2)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1 2325744857 FJUGHNQPMQIUBL-UHFFFAOYSA-N 424.566 3.564 0 50 HHAA COc1ccc([C@@H]2CC(c3cc(Cl)ccc3OC(C)=O)=NN2C(C)=O)cc1OC 1142396 OEROQAWCBVCJLV-SFHVURJKSA-N 416.861 3.980 0 50 HHAA CCc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C1=O 1195455 VKOUJLZCQHFUKH-ZOVQAKDCSA-N 409.485 3.792 0 50 HHAA CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC[C@H]4CCCO4)c3n2)s1 2808769 DPMXMSRUPAURNF-LLVKDONJSA-N 424.448 3.948 0 50 HHAA O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCCCCC1 4857801 BIEYMWBFNMVWRX-UHFFFAOYSA-N 400.544 3.643 0 50 HHAA C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 5721624 KZEKOOLPBSZVKS-UTOPXPGSSA-N 409.485 3.614 0 50 HHAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 11789376 LTGFDJYRRCCBDQ-JXFKEZNVSA-N 418.488 3.612 0 50 HHAA COCCNC(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C 11816106 IELPXXPRUCBUIN-UHFFFAOYSA-N 409.515 3.512 0 50 HHAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccs4)C3)C2)c1OC 11953854 NOOBJGHOARGYBZ-JOCHJYFZSA-N 400.544 3.894 0 50 HHAA CCOc1ccc2nc(Nc3nc(O)c(Cc4ccccc4)c(O)n3)nc(C)c2c1 12311342 GVCPDSRGWDVDPI-UHFFFAOYSA-N 403.442 3.873 0 50 HHAA Cc1c(C(=O)N2CCN(C)CC2)sc2ncnc(N[C@H](C)c3cccs3)c12 14975434 PIDVXRSPYFPJPH-CYBMUJFWSA-N 401.561 3.622 0 50 HHAA CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CNCc1cccnc1 14998785 RXMDUKAQKAXLMC-UHFFFAOYSA-N 419.510 3.857 0 50 HHAA Cc1ccc(OCn2ccc(C(=O)N3CCN(Cc4ccccc4F)CC3)n2)c(C)c1 20044897 CSPVFRJXBDQFFL-UHFFFAOYSA-N 422.504 3.634 0 50 HHAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 20614098 FTSCKYLZMDSRHJ-UHFFFAOYSA-N 403.306 3.639 0 50 HHAA COc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(C(C)=O)(c4ccccc43)[C@@H]2C1=O 22341167 INRWUTFSANKZBQ-ZOVQAKDCSA-N 423.468 3.835 0 50 HHAA biogenic O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32100898 IAXKKTKDTGLURB-CQSZACIVSA-N 424.471 3.589 0 50 HHAA Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(N2c3ccccc3C[C@@H]2C)n1 35655391 QSNDWCSNSWAIGD-HNNXBMFYSA-N 402.502 3.608 0 50 HHAA Cc1ccc(CN2CCN(Cc3nc4ccccc4n3CC(C)C)C[C@H]2CCO)o1 104631412 IDWBYHULMNZFKB-HXUWFJFHSA-N 410.562 3.663 0 50 HHAA COc1ccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)no2)cc1OC 169769421 HHNLVNKAPFWCGW-IBGZPJMESA-N 419.441 3.592 0 50 HHAA O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1 210916169 DZUQKNDNQHUNCX-LNLFQRSKSA-N 402.498 3.793 0 50 HHAA O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(Cc2ccncc2)cc1 252549473 RHBJZDDOCCODAO-OAQYLSRUSA-N 414.465 3.791 0 50 HHAA CCc1c(C(=O)NC2CCC3(CCOCC3)CC2)nnn1-c1cccc(Cl)c1 438524442 RGKGDGGFFZQDJP-UHFFFAOYSA-N 402.926 3.952 0 50 HHAA Cc1ccccc1[C@H](C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1)N(C)C 952969476 ARZJJKRTZVSZLE-HSZRJFAPSA-N 408.546 3.661 0 50 HHAA CCc1csc(CNC(=O)C[C@H]2CCCN(c3nc4cc(OC)ccc4o3)C2)n1 1857729989 LTCVLJBDNPASRB-CQSZACIVSA-N 414.531 3.778 0 50 HHAA CN(Cc1ccc(I)cc1)S(=O)(=O)c1cccc(Cl)c1 1875260703 TWIFKEIHXZUORE-UHFFFAOYSA-N 421.687 3.765 0 50 HHAA Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CC2CCCCC2)n(C)n1 2356140982 TZDGEQXSSIKECU-ANULTFPQSA-N 412.578 3.541 0 50 HHAA COc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1OC 1162779 DBKLMFOHHDMZOK-UHFFFAOYSA-N 404.216 3.825 0 50 HHAA O=C(/C=C/c1ccccc1)Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 1185439 BBHPCHXJRUCTAM-BUHFOSPRSA-N 404.447 3.866 0 50 HHAA O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1Cc1ccc2c(c1)OCO2 2862330 WELZJIPTOGHIJL-PKTZIBPZSA-N 417.417 3.675 0 50 HHAA COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1Cl 2979087 BIGJLJNHYLXZNF-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1 2999303 LQXGZRHOYHFIDV-NRFANRHFSA-N 404.422 3.726 0 50 HHAA Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)nn2)n1 11697181 FIVRFJNFHPYEBN-UHFFFAOYSA-N 402.502 3.503 0 50 HHAA COc1cccc(C[C@]2(CO)CCCN(Cc3cc(F)ccc3-n3cccn3)C2)c1 12201340 PZOHQFFSBCHYAH-XMMPIXPASA-N 409.505 3.837 0 50 HHAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)cc1 12304492 XFXUBRZZGYSIBK-FQEVSTJZSA-N 424.566 3.980 0 50 HHAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)[C@H]1CCCCN1C(=O)OCc1ccccc1 12648373 KIHDUTMNOVGCPQ-IAGOWNOFSA-N 406.479 3.546 0 50 HHAA COc1ccc(OC)c(NC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)c1 13324764 BFIGKKBMYHWUDW-UHFFFAOYSA-N 419.909 3.716 0 50 HHAA CCn1nc(C)c(CNC(=O)CN2Cc3ccccc3O[C@@H](c3ccsc3)C2)c1C 39489758 VTOIUSKTWWBTEH-JOCHJYFZSA-N 424.570 3.833 0 50 HHAA O=C(O)[C@H]1CCCN([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 72194178 VWTJKXUNEWVTKH-ZWKOTPCHSA-N 420.509 3.806 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2C)cc1 101087324 BZMVTVGXEVMDRV-ZJOUEHCJSA-N 412.555 3.804 0 50 HHAA CN1C[C@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 169302669 QHOFUTURFHYTTR-VANUSSGQSA-N 410.473 3.825 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)cc1 299788096 WLBGGGVRGAWACH-PKTZIBPZSA-N 406.526 3.529 0 50 HHAA CC(C)(C)Oc1cc(F)ccc1NC(=O)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 488958944 XVXNYMNQBXDUOJ-GNWTVXCBSA-N 400.494 3.633 0 50 HHAA CC(C)Oc1ccc([C@@H](O)CNC(=O)NCC2(c3ccc(F)cc3F)CC2)cc1 761818971 PNDLUALZTPVWLA-FQEVSTJZSA-N 404.457 3.816 0 50 HHAA CN1C(=O)C[C@@H](C(=O)Nc2ccc(N3CCCC3)c3ncccc23)c2ccccc21 952977195 PBZHBUONDRCZNP-GOSISDBHSA-N 400.482 3.924 0 50 HHAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCCC[C@H]1CCn1cccn1 1506401840 GIHACXLEVVHHEB-HNNXBMFYSA-N 406.533 3.542 0 50 HHAA CN(C)c1ccc(CN2CCC3(CCc4c(O)nc(-c5ccccc5)nc43)CC2)cn1 2100544918 BBXOXQXCAKKYOV-UHFFFAOYSA-N 415.541 3.790 0 50 HHAA CCN(CC)S(=O)(=O)c1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1C 808509 PKCSRUHIDXXLDI-UHFFFAOYSA-N 401.937 3.512 0 50 HHAA COc1ccc(Cl)cc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 816949 CYTHHFMGZZCLET-UHFFFAOYSA-N 422.934 3.603 0 50 HHAA COc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Br)cc3)C2=O)cc1 946305 MXKBLPDOPZPKBF-UHFFFAOYSA-N 407.651 3.893 0 50 HHAA CN1C(=O)c2ccc(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)cc2C1=O 1004646 MJLAYMFPCDTOKV-UHFFFAOYSA-N 413.644 3.890 0 50 HHAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 1426014 ZPQYLKRCHOLHEI-UHFFFAOYSA-N 421.522 3.709 0 50 HHAA Cn1c(C(O)(c2ccccc2)c2ccccc2)nc(I)c1Cl 4512413 GYDCRGKLIMQPLE-UHFFFAOYSA-N 424.669 3.962 0 50 HHAA CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccccc1OC 9303965 VIQVLLVQFJRWRL-UHFFFAOYSA-N 403.533 3.778 0 50 HHAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cc4ccccc4)C3)C2)c1OC 11879492 LLGFYAVIOQSWRY-RUZDIDTESA-N 408.542 3.761 0 50 HHAA Cc1nn(C)cc1CN1CCC2(CC1)C[C@@H]2C(=O)NCC1(c2ccccc2)CCCC1 11982405 WEULZRMPVXCXHO-HSZRJFAPSA-N 420.601 3.959 0 50 HHAA CCN(CC)CCNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1C1CC1 12038090 VFHDPNNQXXHMPH-UHFFFAOYSA-N 424.574 3.648 0 50 HHAA O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccc2ccccc2c1 13479656 DXFZJHNJWHVVRX-UHFFFAOYSA-N 417.490 3.950 0 50 HHAA O=C(Nc1nc2ccccc2s1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O 13945517 RHJQKNPHYWSTSQ-UHFFFAOYSA-N 414.446 3.740 0 50 HHAA COCCNc1ncnc2sc(C(=O)NCc3nc4ccccc4s3)c(C)c12 15067414 AOAFZPHICCVXIN-UHFFFAOYSA-N 413.528 3.598 0 50 HHAA O=C1CCN(C(=O)c2ccc(-c3ccccc3F)cc2)CCN1Cc1cccnc1 15067761 ALRRASNCZSOSNU-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA Cc1noc(C)c1CCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 15077359 APLLHYCILQOJPY-GOSISDBHSA-N 400.429 3.882 0 50 HHAA O=C(c1cc(S(=O)(=O)N2CCCC2)cs1)N1CCC(Cc2ccccc2)CC1 16626042 XTLVGEXSXOXUIS-UHFFFAOYSA-N 418.584 3.628 0 50 HHAA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCc2ccccc2-3)[C@H](C(=O)O)C1 17093974 YTFMKSKHTNCQDV-IAGOWNOFSA-N 424.522 3.998 0 50 HHAA O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccccc2)CC1 22916703 HPCOUMLRYSZTCR-VWLOTQADSA-N 402.538 3.911 0 50 HHAA CCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)N(CC)C(=O)CO4)no2)cc1 32593410 VPWXJODBGYDLSL-UHFFFAOYSA-N 407.426 3.738 0 50 HHAA COc1cc(OC)c([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1OC 217854796 CGSPGZNATUTXNE-CQSZACIVSA-N 412.438 3.897 0 50 HHAA biogenic O=C(O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(c2ccccn2)CC1 299802023 ZULPZCAIFJYLDM-UHFFFAOYSA-N 421.472 3.673 0 50 HHAA O=C(O)CC[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl 484843637 CVRPMLGOFWCEIY-CYBMUJFWSA-N 402.299 3.748 0 50 HHAA OC[C@]12CN(Cc3ccc(Cl)s3)C[C@@H]1CN(c1ncc(Cl)cc1F)C2 1772805452 KYVSTZNKQHOHOQ-PIGZYNQJSA-N 402.322 3.520 0 50 HHAA C[C@H](NC(=O)N[C@@H](C(=O)O)[C@H]1CCCOC1)c1ccc(-c2ccc(F)cc2)cc1 1776004226 IGJSGHPYGLFICS-ADLFWFRXSA-N 400.450 3.733 0 50 HHAA CN(C)C[C@@H]1OCCN(C(=O)c2csc(-c3ccccc3)n2)[C@H]1c1ccccc1 1857722142 PGMRBKAJVUEPFH-SFTDATJTSA-N 407.539 3.954 0 50 HHAA Cc1onc(-c2ccncc2)c1C(=O)O[C@@H]1CCN([C@H]2CCCc3ccccc32)C1=O 1875254211 GIXKQWAQXRNPIB-VQTJNVASSA-N 417.465 3.880 0 50 HHAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2nc(C)sc2c1 1875263413 MAVAYDWZRAUWLU-IBGZPJMESA-N 408.483 3.880 0 50 HHAA O=C1C[C@H](c2noc(-c3cc(OC(F)F)ccc3F)n2)CN1Cc1ccccc1 2325873508 JLOJEQVANYHMDN-ZDUSSCGKSA-N 403.360 3.993 0 50 HHAA Cc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)o1 656509 ZEIFNVAIFNQVJV-UHFFFAOYSA-N 407.451 3.703 0 50 HHAA Cc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c(C)c1 679734 ZKXCHTPCFVEMEM-UHFFFAOYSA-N 409.530 3.626 0 50 HHAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 852982 YEGXGQSCEIRUAR-OAQYLSRUSA-N 418.522 3.895 0 50 HHAA CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CCCC[C@H]3C(=O)O)csc2C1 2760661 ABFBPAAUWNZRBG-BPLDGKMQSA-N 406.548 3.551 0 50 HHAA CCOc1cc(-c2nnc(S)n2CCCN(CC)CC)ccc1OC(F)F 2793114 ZHNKBYYKGOWRHA-UHFFFAOYSA-N 400.495 3.966 0 50 HHAA Cc1c(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)cnn1C 2802179 GRWOKJKLSDZFCU-UHFFFAOYSA-N 424.686 3.630 0 50 HHAA COCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 4952897 FFYQWEGNHYCCDP-VXGBXAGGSA-N 402.804 3.573 0 50 HHAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1=CCCCC1 11996959 NDGZXZRUORZAKD-HXUWFJFHSA-N 401.570 3.928 0 50 HHAA COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)C3CC3)c(N3CCCC3)nc2c1 12163227 XPFHYRCJEIJVIV-NRFANRHFSA-N 409.530 3.761 0 50 HHAA O=C(NCc1c[nH]nc1-c1ccc(Cl)cc1)[C@@H]1CCC(=O)N(C2CCCC2)C1 12433795 FCLCGKFBSUVWHI-OAHLLOKOSA-N 400.910 3.528 0 50 HHAA Cc1ccc(Cn2ccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)n2)cc1 13960952 HWIPDIPIVMFPEG-UHFFFAOYSA-N 400.486 3.960 0 50 HHAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cccc(OC)c3)CC2)cc1 14239746 KXUAYXMEIGYYDT-SFHVURJKSA-N 402.560 3.715 0 50 HHAA C[C@@H](c1ccon1)N(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 15080319 MYQRBUQJIGTNMM-SFHVURJKSA-N 420.513 3.946 0 50 HHAA COc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1OCc1ccccc1 19561733 PQTHPNLPQOMALV-UHFFFAOYSA-N 403.526 3.987 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 72478170 VFFDLWZSBZWLLC-JOCHJYFZSA-N 404.514 3.634 0 50 HHAA COc1cccc(C(=O)COc2ccc(N3C(=O)[C@H]4CC(C)=CC[C@H]4C3=O)cc2)c1 96487807 FZOQJDREEOYIPJ-RTWAWAEBSA-N 405.450 3.803 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c2ccc(F)cc2)cc1 101574519 IMYOYOFRKHFZIY-FIKGOQFSSA-N 416.518 3.634 0 50 HHAA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1sc3c(c1C(N)=O)CC[C@H](C)C3)[C@H]2C(=O)O 101716795 NIAPZOQRXCGEFV-OQCWANEVSA-N 416.543 3.604 0 50 HHAA COc1ccc2[nH]c([C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)nc2c1 170598440 QHFGKCLWIUUIEZ-HRAATJIYSA-N 422.529 3.902 0 50 HHAA O=C([C@H]1CCCN1C(=O)c1ccccc1)N1CCC(c2c[nH]c3ncccc23)CC1 195609905 LHLNYOXSJWBWAK-OAQYLSRUSA-N 402.498 3.574 0 50 HHAA O=S(=O)(Nc1cn2c(Br)cccc2n1)C1=Cc2ccccc2CC1 225394090 BWSVOAXSGSQHCX-UHFFFAOYSA-N 404.289 3.826 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)NCc4ncccc4C)csc3C2)nc1 426438690 MMGUSOSACVYAFZ-UHFFFAOYSA-N 406.555 3.897 0 50 HHAA Cc1ccc([C@H](NC(=O)COC(=O)c2cc(O)c3ccccc3c2O)C2CC2)cc1 852826648 XJUNFDLUDWKNDY-QFIPXVFZSA-N 405.450 3.984 0 50 HHAA Cc1cc(OC(C)(C)C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc(C)c1Cl 1529158523 DPTTYSXCGFMRHO-IEBWSBKVSA-N 402.922 3.883 0 50 HHAA Cc1ncc(CN(CCN(C)C)Cc2ccccc2OCCCN2CCCCC2)[nH]1 1772705904 CYRMCLTVLMKLCJ-UHFFFAOYSA-N 413.610 3.537 0 50 HHAA O=S(=O)(c1ncsc1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 1775975632 JOTUXOASIMJJMW-UHFFFAOYSA-N 419.959 3.974 0 50 HHAA COc1ccc(C(=O)NCc2csc(C)n2)cc1Oc1cc(F)cc(CN)c1 1857687207 REOQZWYPJZAFOS-UHFFFAOYSA-N 401.463 3.780 0 50 HHAA Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2cccc(F)c2)cn1 2356142262 LAVWRUYOYNCVJZ-VAPSRWTKSA-N 421.516 3.613 0 50 HHAA Cc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCOCC2)cc1 794609 USOSZKOUFKWVEL-UHFFFAOYSA-N 405.454 3.929 0 50 HHAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCC[C@H]5C4)c3n2)cc1 2486656 AVXCTAKHTFWYNB-INIZCTEOSA-N 411.456 3.563 0 50 HHAA COc1ccc(OCn2ccc(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)n2)cc1 2800188 HKYUFSZWTRPQAX-UHFFFAOYSA-N 405.410 3.595 0 50 HHAA CCOc1ccc([C@H](CC(=O)O)NC(=O)COc2ccc3ccccc3c2)cc1OC 3622919 SZQXQHPFXQKHLB-FQEVSTJZSA-N 423.465 3.958 0 50 HHAA CSc1ccccc1C(=O)NC[C@H]1CCC2(CCN(Cc3ccccn3)CC2)O1 11967539 JWSBWKAMJHMGIE-LJQANCHMSA-N 411.571 3.747 0 50 HHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCCc1cccc(OC)c1)C3 12218692 WUDJNTUBIDTGKU-KRWDZBQOSA-N 411.571 3.956 0 50 HHAA CCn1ccnc1CN(C)Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn12 12314514 MWOACBACSYKREP-UHFFFAOYSA-N 408.550 3.507 0 50 HHAA COC[C@H]1CCCCN1Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 12433720 ARYGJKOQMOVLSU-HXUWFJFHSA-N 423.623 3.648 0 50 HHAA O=C(CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CCCCC2)C1)N1CCOCC1 12577515 JCGAWZUGWDTAJT-OAQYLSRUSA-N 412.574 3.766 0 50 HHAA CCOC(=O)CNC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 15074293 IFNQNTCPUAESCI-SFHVURJKSA-N 412.461 3.660 0 50 HHAA C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 17081941 RVILCFUXZKBGNF-CYBMUJFWSA-N 400.500 3.606 0 50 HHAA COc1cc(-c2nc(CN(C)C[C@@H]3COc4ccccc4O3)c(C)o2)cc2c1OCO2 19795242 WRZPUXXJKPCQAL-MRXNPFEDSA-N 424.453 3.659 0 50 HHAA Cc1noc(C)c1COc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1 20615898 QZKZFZJPLGRGIX-UHFFFAOYSA-N 423.488 3.968 0 50 HHAA CN(c1ccccc1)c1ccc(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 20906381 UYVDKTJVAJMTOE-QFIPXVFZSA-N 403.530 3.956 0 50 HHAA CNc1ccc2c(c1N)C(=O)OC21c2cc(F)c(O)cc2Oc2cc(O)c(F)cc21 38838713 DIJCILWNOLHJCG-UHFFFAOYSA-N 412.348 3.568 0 50 HHAA O=C(CCn1sc2ccccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 40285298 KCCCXJUPVUMEKE-UHFFFAOYSA-N 416.930 3.617 0 50 HHAA O=C(c1ccc(OC2CCN(Cc3cccc4nonc34)CC2)cc1)N1CCCCC1 55120330 FMHZZRFMPUAPFJ-UHFFFAOYSA-N 420.513 3.892 0 50 HHAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)[C@H](C)CN3CCOCC3)cc12 77408207 YFZIEQDVXHZUHS-MRXNPFEDSA-N 409.505 3.867 0 50 HHAA O=C(CN1CCc2c(F)cc(F)cc21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 170635637 IEFQUTZCTLZPEA-UHFFFAOYSA-N 423.345 3.566 0 50 HHAA O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)N1CCC2(C1)OCCO2 170636403 ZBDOKBMWHRDZRA-UHFFFAOYSA-N 420.263 3.617 0 50 HHAA CC(C)Cn1nccc1NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C 225688119 FQZTULQSCLILDJ-UHFFFAOYSA-N 408.506 3.735 0 50 HHAA CCc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C(N)=O)cc1 239173874 OVVNVVHHKZMHOS-CWLKWCNXSA-N 424.522 3.846 0 50 HHAA CCOc1ccccc1NC(=O)[C@H](C)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 241126167 JKAMFAAXOZSANA-GJZGRUSLSA-N 401.473 3.665 0 50 HHAA COc1ccc(-c2noc([C@H]3CCCN3C(=O)Cc3cccc(C)c3)n2)cc1OC 263617710 PGWKGAQFZBBZML-GOSISDBHSA-N 407.470 3.968 0 50 HHAA Cn1cc(C2CCN(C(=O)[C@@]34CCCC[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)cn1 328592048 RIXPTLFZDSNIHL-WMZHIEFXSA-N 416.566 3.553 0 50 HHAA O=C(CN1CCOc2ccc(Cl)cc21)N1CC=C(c2c[nH]c3ncccc23)CC1 468241454 MGSZWLXPOXUNLG-UHFFFAOYSA-N 408.889 3.731 0 50 HHAA O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1csc(NC2CC2)n1 769001270 MCZDJZNVTFUBRX-OAHLLOKOSA-N 405.829 3.551 0 50 HHAA Clc1ccc2cc(CNCCn3cncn3)c(OCCOc3ccccc3)nc2c1 825573853 TWAZRMNHSXYYPN-UHFFFAOYSA-N 423.904 3.727 0 50 HHAA Fc1cccc(-c2ccnc(C3CCN(Cc4nc5c(s4)CNCC5)CC3)n2)c1 952891999 DLICMWJWULAMHO-UHFFFAOYSA-N 409.534 3.765 0 50 HHAA COc1ccc(-c2ccnc(C3CCN(C(=O)[C@@H]4C[C@@H]5CCCCN5C4)CC3)n2)cc1 952892067 DRXJOMLPUKSDAA-RTWAWAEBSA-N 420.557 3.733 0 50 HHAA O=C(CCC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21)Nc1nncs1 952985619 FYFIZXQOWPIMNS-HNNXBMFYSA-N 400.504 3.600 0 50 HHAA COC(=O)[C@@H](NCc1nc(O)c2c(-c3ccccc3Cl)csc2n1)C1CC1 1459951571 KXVHUBXJHYMOHJ-INIZCTEOSA-N 403.891 3.759 0 50 HHAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cccc(OCc2cccc(F)c2)c1 1704280511 NTDVHSMIDYSJEM-OFNKIYASSA-N 406.457 3.787 0 50 HHAA Cc1ccccc1[C@H](CC(=O)N[C@@H]1C[C@@H]1Cc1ccc(C(F)(F)F)cc1)NC(N)=O 1875261671 DDGWOYFXHOUQSW-IPELMVKDSA-N 419.447 3.861 0 50 HHAA Cn1cc(-c2ccc(CNC(=O)NCc3ccc(N=c4cc[nH]cc4)cc3)cc2)cn1 1875349530 ARCRAPQNIKTFAZ-UHFFFAOYSA-N 412.497 3.647 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 1875371939 QXNCESXBRFSQPG-UHFFFAOYSA-N 423.340 3.839 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Sc3ccc(Br)cc3)C2)C1 2325889468 RYKQGLFLYOJCQS-WMLDXEAASA-N 423.376 3.567 0 50 HHAA COc1cc(C(=O)Nc2sc3c(c2C(=O)O)CC[C@@H](C)C3)cc(OC)c1OC 707052 QECONBDPHOKWPN-SNVBAGLBSA-N 405.472 3.849 0 50 HHAA CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(OC)cc1OC 951971 OMIBFHLVNQVZAN-UHFFFAOYSA-N 410.426 3.959 0 50 HHAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCc2cn3ccccc3n2)C1 11820348 DMDXXPJDAUNFJS-QFIPXVFZSA-N 418.585 3.988 0 50 HHAA Cc1c(C(=O)NCCCc2ccncc2)sc2ncnc(NCc3ccco3)c12 12152070 UIEQEJUMXNGVMP-UHFFFAOYSA-N 407.499 3.962 0 50 HHAA O=C(C1=CCCC1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12597265 PWRYSUROUOUIMZ-VWLOTQADSA-N 408.586 3.984 0 50 HHAA CN(C(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)[C@@H]1CCOC1 12612986 NJPAHDCDNKKFQD-GOSISDBHSA-N 406.954 3.987 0 50 HHAA COc1cc(-c2cnnc(N3CC[C@H](c4ccc(F)cc4)C3)n2)cc(OC)c1OC 14970752 QCOOQLQEYRODFY-HNNXBMFYSA-N 410.449 3.697 0 50 HHAA COC(=O)[C@@H]1CCCCN1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 55099694 MSLVCMAGSCJNAA-FQEVSTJZSA-N 419.481 3.796 0 50 HHAA CN1CCCC[C@H]1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67673275 KEMOEUZWPIVOPM-IBGZPJMESA-N 400.906 3.918 0 50 HHAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 95530696 GVNPBUFAWQVMKO-XMMPIXPASA-N 404.466 3.742 0 50 HHAA COc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)C[C@H]2CCO)c(C)c1C 104360026 CAHYPYMKZRFOOI-JOCHJYFZSA-N 407.558 3.862 0 50 HHAA CC(C)c1ccc(-c2nc(C(=O)NCCC(=O)NCc3cccnc3)cs2)cc1 142882600 KDMSGRTVLKQTPC-UHFFFAOYSA-N 408.527 3.765 0 50 HHAA COc1cc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=C3N=CNN32)ccc1C 220976324 WZDODIRBHORHOG-OAQYLSRUSA-N 403.486 3.792 0 50 HHAA CSCC[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1nnc2ccccn12 223240581 XBPGKDCINRVUFG-QGZVFWFLSA-N 421.526 3.928 0 50 HHAA Cc1ccc(OCc2occc2C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 825178269 SQPKAWLTXSTKEV-KRWDZBQOSA-N 408.454 3.795 0 50 HHAA CN(C)c1nc(=NC[C@@H](O)c2cc(Cl)cc(Br)c2)[nH]c2ccccc12 2325825622 XNCZOIINKMMZMQ-MRXNPFEDSA-N 421.726 3.679 0 50 HHAA CN(Cc1ccnc2ccccc12)C(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356166499 AEZMXIBGQNKOMS-UHFFFAOYSA-N 407.539 3.720 0 50 HHAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 783956 XWJCJMRVZIYGNO-UHFFFAOYSA-N 416.543 3.858 0 50 HHAA Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3I)CC2=O)cc1 851728 IQJJLTRUCSVKIK-CYBMUJFWSA-N 420.250 3.591 0 50 HHAA O=C(COc1ccccc1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 893117 ZFMLNKZHOZTFGT-UHFFFAOYSA-N 414.505 3.568 0 50 HHAA COc1ccc(-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 2840692 PYSKJATUHYOBIU-UHFFFAOYSA-N 411.512 3.831 0 50 HHAA CCCOc1ccc(N2C(=O)C[C@H](SCCc3nc4ccccc4[nH]3)C2=O)cc1 2864202 PMIUOTLJNZGYEB-IBGZPJMESA-N 409.511 3.960 0 50 HHAA O=C(COc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2)NCc1ccco1 4450976 DAJVOZKLVJCHEP-UHFFFAOYSA-N 408.498 3.673 0 50 HHAA COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OCCSC)c3C)C2)cc1OC 4911524 AWWATMYXUMJZIX-AWEZNQCLSA-N 403.500 3.773 0 50 HHAA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccccc2Br)cc1 12138222 ISFLPQOWAALFHY-OAHLLOKOSA-N 403.276 3.610 0 50 HHAA CC(=O)Nc1ccc(CN2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1 12164943 ZTVQGFGSABBCQB-UHFFFAOYSA-N 419.447 3.898 0 50 HHAA O=C1C[C@H](c2ccccc2)NCCCN(C(=O)/C=C/c2ccccc2)CCCCN1 14649850 YCGJAANQHNQGOR-WOOPDLCSSA-N 405.542 3.550 0 50 HHAA COc1ccccc1CCN1CCC[C@@H](CN(C)Cc2c(C)nn(C)c2Cl)C1 15065174 PILVLSWNVXBEES-SFHVURJKSA-N 404.986 3.777 0 50 HHAA Cc1cc(C)cc(OCn2ccc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)n2)c1 20028695 VUJNKUJFZCSQII-UHFFFAOYSA-N 422.504 3.634 0 50 HHAA O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(CN2CCOCC2)cc1 22358511 MNMJQMRGJBUVEO-UHFFFAOYSA-N 421.541 3.834 0 50 HHAA CC(=O)Nc1cccc2nc(CN3CCN(CC4CCCCC4)[C@H](CCO)C3)ccc12 39543804 PNMDALKBRJJUJF-JOCHJYFZSA-N 424.589 3.642 0 50 HHAA COc1cccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)c1 169758469 DDADFPSPOQCFDQ-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA COc1cc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc(OC)c1OC 170629858 VOMXVFGDGIMDAL-UHFFFAOYSA-N 401.303 3.669 0 50 HHAA CC(C)N(C[C@H](O)COc1ccccc1)C(=O)Nc1ccc(-c2csnn2)cc1 445238613 KYYQQHNARDNZQY-SFHVURJKSA-N 412.515 3.887 0 50 HHAA O=C(c1ccc(N2CCCCC2)cc1)N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 1616068952 JQEOPNKGBYPRBR-OFVILXPXSA-N 415.537 3.901 0 50 HHAA Cc1cc(F)cc(C(=O)N2CCC[C@@]3(CN(CCSC(C)C)CC[C@H]3O)C2)c1 1857682334 VQLSOUZUCNDJAX-IFMALSPDSA-N 408.583 3.565 0 50 HHAA CN(C)c1ccccc1Cn1nc(-c2ccncc2)nc1-c1cnn(-c2cccnc2)c1 1875340538 HCTLGXBPOLHOEW-UHFFFAOYSA-N 422.496 3.702 0 50 HHAA CN(Cc1cc(-c2nn[nH]n2)ccc1Br)Cc1cccc2ncccc12 2325829381 IMKAHQUIDXXFDK-UHFFFAOYSA-N 409.291 3.809 0 50 HHAA CNC(=O)C[C@@H](NC(=O)c1sc2nc(C(C)(C)C)ccc2c1N)c1ccccc1 2325850645 DKKCBHSHYRLKJM-OAHLLOKOSA-N 410.543 3.783 0 50 HHAA Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3CCC(C)C)cnc2ccnn12 2356146462 HPJQNAJVXDYICR-WAGURGNTSA-N 409.578 3.789 0 50 HHAA Cc1c(Cl)cccc1CNC(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 2356169534 SYZCBZZEHZPYFG-RTWAWAEBSA-N 400.906 3.642 0 50 HHAA CCN(CC)c1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 881794 QAKGJAJACOHUDC-UHFFFAOYSA-N 417.531 3.685 0 50 HHAA C[C@H](NS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1)c1ccccc1 1117806 HFDHZLVHCFNSLL-SFHVURJKSA-N 400.544 3.671 0 50 HHAA COc1ccc(CC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1OC 1121815 UPXJVITVLUAKLL-UHFFFAOYSA-N 403.891 3.981 0 50 HHAA CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 1161491 FVSHWRXQDXGEMD-CQSZACIVSA-N 410.923 3.840 0 50 HHAA COc1ccc(C)cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 1173455 KPEFECVPGHUGNH-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA COc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 1187974 XVLRFGQGEYZSAC-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA CCn1ncc(Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 2764839 LIFVCEXUICABLH-UHFFFAOYSA-N 418.906 3.918 0 50 HHAA O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1cccnc1)NC(=O)c1cccs1 4758512 QWCRMJLHUVVCDR-DEDYPNTBSA-N 416.506 3.754 0 50 HHAA CCN(CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C(C)C)C1 12027804 XUNZOTBJTYVCCQ-KRWDZBQOSA-N 422.533 3.602 0 50 HHAA CC(=O)c1cccc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 12074076 XUDIKEJMTAXSHT-OAQYLSRUSA-N 402.498 3.926 0 50 HHAA Cc1c(C(=O)N2CCC[C@H](C)C2)sc2ncnc(NCCN3CCCCC3)c12 12078233 YFCUHPGYTIQZHB-HNNXBMFYSA-N 401.580 3.770 0 50 HHAA CCN(CC)CCN(CC)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 12283395 VIIBZRMVJBWKFB-UHFFFAOYSA-N 422.533 3.604 0 50 HHAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)Cc2n[nH]c3ccccc23)C1 12316957 IMIHFYMDCXYEFP-IBGZPJMESA-N 420.557 3.527 0 50 HHAA COCc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3cc4ccccc4[nH]3)C2)s1 12581664 RXBHWFLSAZELPV-OAHLLOKOSA-N 411.527 3.658 0 50 HHAA Cc1cccnc1NC(=O)CCC(=O)N1CCC(c2noc3ccc(F)cc23)CC1 40286187 UBVBOKOIHOPCSE-UHFFFAOYSA-N 410.449 3.795 0 50 HHAA O=C(Nc1ccc2ccccc2c1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72115779 NORJMIISKHEVFM-UHFFFAOYSA-N 402.502 3.584 0 50 HHAA C[C@@H]1C(=O)NCCN1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 72447371 WNFQAOFNGPMASK-CYBMUJFWSA-N 409.873 3.604 0 50 HHAA O=C1CCC2(CCN(Cc3ccc(F)c(F)c3F)CC2)CN1Cc1cccnc1 91486905 HLCSRUCHNBSEQV-UHFFFAOYSA-N 403.448 3.904 0 50 HHAA C[C@@H]1Oc2c(cccc2C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)NC1=O 225420442 RQKAMEBRVHEZOL-ZJNRKIDTSA-N 400.862 3.662 0 50 HHAA Cn1ncc(NS(=O)(=O)c2ccc(Cl)cc2Br)c1C(F)(F)F 410402795 UJUCDSIKWIVQGL-UHFFFAOYSA-N 418.622 3.656 0 50 HHAA C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccnc(OCC(F)(F)F)c2)CC1 462702679 HVDRPBRCWGYVHP-ZDUSSCGKSA-N 414.453 3.995 0 50 HHAA CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c2ccccc21 1320126942 GYBXQTYMUJBJPX-MJGOQNOKSA-N 421.545 3.709 0 50 HHAA O=C1N[C@H](CCN2CCCCC2)C(=O)N1CCOc1ccccc1-c1ccccc1 1776003232 GXDOUPBQHLEVDP-OAQYLSRUSA-N 407.514 3.529 0 50 HHAA Cn1nc(-c2ccccc2)cc1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857681141 ZOASGJHNMHJMRE-ZWSUVBHBSA-N 401.510 3.685 0 50 HHAA COCC[C@H](NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875344433 KSKNGGNOWRDLGE-HNNXBMFYSA-N 401.394 3.554 0 50 HHAA Cc1cnn(C2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)CC2)c1 2325820304 NJDHKUGDYNOAFU-FQEVSTJZSA-N 412.534 3.929 0 50 HHAA O=S(=O)(c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 792963 IVZPEKOJZGKZCN-UHFFFAOYSA-N 413.948 3.738 0 50 HHAA COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)c(OC)c1OC 994324 MGJUZIWCDPMSAP-UVTDQMKNSA-N 418.243 3.819 0 50 HHAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 1088552 KECOTKDHDAHXHM-GOSISDBHSA-N 410.524 3.567 0 50 HHAA COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1122154 YACWFDLVHRQXLE-UHFFFAOYSA-N 410.495 3.768 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccccc2C)cc1 5102922 YMYYQTJPTDKNKY-UHFFFAOYSA-N 408.523 3.815 0 50 HHAA O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697667 IYVIOXLSDCKGOM-UHFFFAOYSA-N 409.881 3.623 0 50 HHAA C[C@@H]1CN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CCN1C 12468044 YQCITNSPUXVDIP-OAQYLSRUSA-N 421.585 3.549 0 50 HHAA O=C(CCC1CCN(C(=O)CCCn2cncn2)CC1)Nc1ccc(F)c(Cl)c1 12581811 OLHJUGSSGZKTOD-UHFFFAOYSA-N 421.904 3.508 0 50 HHAA CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(C(C)C)CC2 14531884 SZACNANSZRANDP-UHFFFAOYSA-N 400.567 3.568 0 50 HHAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(CC[C@@H](C)c1ccc(C)o1)CC2 14543031 FRAUQZBZUATNSD-QGZVFWFLSA-N 422.529 3.956 0 50 HHAA O=C1CC[C@@](CCC(=O)N2CCC[C@H](OCc3ccccc3)C2)(Cc2ccccc2)N1 14954388 BEZBFBNTRQUJJB-JYFHCDHNSA-N 420.553 3.866 0 50 HHAA COc1cc(C(=O)NCCCSC)ccc1OC1CCN(C2CCCC2)CC1 15069569 VRQWAFCVLDDPJF-UHFFFAOYSA-N 406.592 3.964 0 50 HHAA C[C@@H]1CN(CCC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)Cc2ccccc2O1 39364933 YBYYNOVPGPMZQP-QUCCMNQESA-N 418.541 3.942 0 50 HHAA O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C(=O)[C@H]2CCOC2)CC1 77383585 WKRPXPVRBSSKBU-KRWDZBQOSA-N 412.461 3.832 0 50 HHAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)Cn2ccccc2=O)cc1 92027922 FHHNIBYMVZDKTH-HXUWFJFHSA-N 404.514 3.525 0 50 HHAA COCCCn1c(-c2ccco2)nnc1N(C)Cc1ccc(OC)c(OC(F)F)c1 253397812 NWFGYYYDBILBLC-UHFFFAOYSA-N 422.432 3.821 0 50 HHAA c1cc(CN2CCc3nc[nH]c3[C@H]2c2cccnc2)cc(OCCCn2ccnc2)c1 952969684 OQGIKOFWLWSADR-XMMPIXPASA-N 414.513 3.618 0 50 HHAA CN(C)c1ccc(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cn1 1704306560 WOEIXJOXQVJIDQ-RUZDIDTESA-N 413.525 3.725 0 50 HHAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NCC[C@@H](C)n2ccnc2)cc1 1704335805 GXCSGYIYXSFABD-MRXNPFEDSA-N 409.490 3.528 0 50 HHAA Fc1ccc(CN2CCCN(c3nc(C(F)(F)F)nc4cnccc34)CC2)cc1 1775996456 XTRNMORSLNAQFI-UHFFFAOYSA-N 405.399 3.895 0 50 HHAA CC(=O)N1CCC[C@]2(CCc3c2nc(-c2cccnc2)[nH]c3=N[C@H]2CC[C@H](C)CC2)C1 1875248244 FUWOWFLIAOJTTL-SZUKKWSHSA-N 419.573 3.777 0 50 HHAA C=CC(=O)NC[C@H](NC(=O)c1cnn(C(C)(C)C)c1C)c1ccc2ccccc2c1 1875386617 VSRHGFFCHBFUNE-NRFANRHFSA-N 404.514 3.873 0 50 HHAA CC(C)(C)OC(=O)N1CCCCNCCCOc2cccc(c2)-c2nccn2CC1 2100533879 JVRRBFMFYRAQDB-UHFFFAOYSA-N 414.550 3.940 0 50 HHAA O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cc(-c2cccs2)nc2onc(C3CC3)c12 2325738516 MZZOIWWJESHATP-CYBMUJFWSA-N 405.483 3.839 0 50 HHAA c1cc2c(cc1-c1nnc(N3C[C@H]4C5CCC(CC5)[C@@H]4C3)n1CC1CC1)OCCO2 2325840371 ZJWPINPHUBARJH-WXDAQCLHSA-N 406.530 3.999 0 50 HHAA O=C(O)[C@H](Cc1ccc(Br)cc1F)NC(=O)[C@H]1CC=Cc2ccccc21 2325862171 LTITZCGPBKJLGQ-WMZOPIPTSA-N 418.262 3.901 0 50 HHAA Cc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1116412 CHDCGIPYJUDPAY-UHFFFAOYSA-N 406.935 3.856 0 50 HHAA C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 1147950 APHMRPVKRJLDRN-AOMKIAJQSA-N 402.450 3.956 0 50 HHAA O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)CCCC2 1170743 IVADEYIFFKRQRZ-FQEVSTJZSA-N 400.272 3.741 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)O[C@H]2CCC[C@@H](C)C2)c1 1194033 NLXLJWLFTNXLLP-YFROIQMUSA-N 404.532 3.619 0 50 HHAA O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 2483738 ZGSXEXBYLJIOGF-ALFLXDJESA-N 409.445 3.799 0 50 HHAA in-vitro O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2828759 AAJATLNKJWMJHN-UHFFFAOYSA-N 419.553 3.816 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc3ccccc3o2)c1 4367675 ZRWHZTYFJPGZLZ-UHFFFAOYSA-N 402.472 3.724 0 50 HHAA CCCOc1ccc(-c2nc3s/c(=C/C4=Cc5ccccc5OC4)c(=O)n3n2)cc1 5893323 CJYNSVWFXBOOJR-DEDYPNTBSA-N 417.490 3.582 0 50 HHAA CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)nc(CCn2ccnc2C)n3C)cc1 6665565 VSGSHZWYYJHPKG-UHFFFAOYSA-N 416.485 3.532 0 50 HHAA O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1cccc(Cl)c1)CC2 12154280 QGSHMGGZSYDHBT-FQEVSTJZSA-N 411.933 3.726 0 50 HHAA O=C(CC1CCCC1)NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1 12245188 QCESGRMEUIBMLL-LJQANCHMSA-N 414.575 3.794 0 50 HHAA Cc1cccc(CN2CCC(N3CCC(C(=O)N(C)Cc4ccc(C)o4)CC3)CC2)n1 12447860 NHIWXUSRWAKWEV-UHFFFAOYSA-N 424.589 3.626 0 50 HHAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1ccc(Cl)s1)C2 14744178 VSLOJYRHNCMANC-AWEZNQCLSA-N 406.983 3.798 0 50 HHAA c1nc(N2CCCCC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CCCC4 19798603 ACNLQMGDYNRAEP-UHFFFAOYSA-N 409.559 3.945 0 50 HHAA COc1ccc(F)c(CN2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1 20294597 JGUCXMRYILQGSW-FQEVSTJZSA-N 413.537 3.630 0 50 HHAA CCN(CC)CCNCc1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1 20406715 CIPZRTXPJXIRJV-UHFFFAOYSA-N 419.953 3.798 0 50 HHAA COc1cccc([C@@]2(CN(CCCn3ccnc3)Cc3ccncc3)CCOC2)c1 63869952 JURYNZMZYSFEDZ-XMMPIXPASA-N 406.530 3.537 0 50 HHAA Cn1cccc1C(=O)N(CCN1CCCCC1)C[C@H]1CCCN(C2CCCC2)C1 95499037 VSFHVPXWODAIKA-NRFANRHFSA-N 400.611 3.608 0 50 HHAA O=C(COc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 100838793 DSSFNNUPHHAWPT-LATRNWQMSA-N 407.853 3.913 0 50 HHAA COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)c2)cc1 195377002 ZHDUETSVHPQFSE-KNPYFFGGSA-N 414.461 3.505 0 50 HHAA O=C(c1cncnc1)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 328590308 OGXATQMTOWOUTQ-UHFFFAOYSA-N 408.889 3.671 0 50 HHAA COc1cc(C2(C(=O)Nc3ccn(CCc4ccncc4)n3)CCCC2)ccc1C 409671882 NDLURHFTZQZFQZ-UHFFFAOYSA-N 404.514 4.288 0 50 HHAA O=C(NCCN1CCCC[C@H]1CO)c1ccccc1SCc1ccc(F)cc1 670473388 MVCVYKBXPNDQLF-IBGZPJMESA-N 402.535 3.695 0 50 HHAA O=C(NCc1cccnc1-n1ccnc1)Nc1ccc(OCc2ccncc2)cc1 743142610 XPFOVPDAUXEQSU-UHFFFAOYSA-N 400.442 3.563 0 50 HHAA CCCNC(=O)c1ccc(C)c(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)c1 952982202 JWYOHXIBODOQGE-ISVJADKWSA-N 421.545 3.661 0 50 HHAA C[C@@]1(CNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)OCCc2ccccc21 1254685948 HHMPDFKCCHPAPB-QUCCMNQESA-N 408.420 3.526 0 50 HHAA CCOc1ccc2c(c1)CN(C(=O)N[C@@H](c1ccccc1F)c1nccn1C)CC2 1320794753 WZNLQJBIXBXEHG-NRFANRHFSA-N 408.477 3.815 0 50 HHAA Cc1cc(C[C@@H]2CN(Cc3cn(-c4ccccc4)nc3-c3cccs3)C[C@@H]2O)n[nH]1 1529158412 BZKLBOBTEFPMIM-UTKZUKDTSA-N 419.554 3.668 0 50 HHAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C1)CC2 1704298086 FMSXOELWOKBKTQ-JOCHJYFZSA-N 409.921 3.798 0 50 HHAA O=C(c1cccs1)N1CCC(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1704298270 IVPBHRWRRHUDGN-XMSQKQJNSA-N 421.566 3.748 0 50 HHAA O=C(O)CN1CCC2(CCc3c2nc(-c2ccccc2)[nH]c3=NCCC2CCC2)CC1 1857692152 QPXQGWLJCOUSRU-UHFFFAOYSA-N 420.557 3.532 0 50 HHAA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1857720663 DUCBDOKBMWDYET-NLFFAJNJSA-N 409.489 3.972 0 50 HHAA C[C@H](OC(=O)c1ccc(-c2ccccc2Br)n1C)[C@H]1CCNC(=O)C1 2325826674 JEJPJIOIJHDZLQ-STQMWFEESA-N 405.292 3.526 0 50 HHAA Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCc2ccc(C(=O)O)cc21 2325841787 GACDYZFEIFCCBC-UHFFFAOYSA-N 410.289 3.516 0 50 HHAA Cc1cnc(C2(NC(=O)Nc3cccc(C(=O)NCc4cccs4)c3)CCC2)[nH]1 2325850449 ZDVHCMCBQBYCIH-UHFFFAOYSA-N 409.515 3.911 0 50 HHAA O=C(CN1CC[C@H](c2ccccc2)c2ccccc21)N[C@H](Cc1ccccc1)C(=O)O 2325863460 KUAGWICWGYUSQH-FYYLOGMGSA-N 414.505 3.841 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccccc4)C3)c3cccc(=O)n32)c1 2356143355 DONKYYKOZGPSEF-DPLHUUCSSA-N 414.505 3.900 0 50 HHAA Cc1cnc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CC2CCCCC2)cn1 2356159240 RQPIXDMQUKYQNE-WAGURGNTSA-N 410.562 3.597 0 50 HHAA CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCN(C(=O)OCC)C2 707702 NZIOILLZHKFBJR-UHFFFAOYSA-N 408.501 3.753 0 50 HHAA CCc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 1147521 BUTOPXONNPSQFX-UHFFFAOYSA-N 400.422 3.673 0 50 HHAA Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2780722 JKZKPKJKDHWXMT-SCZZXKLOSA-N 403.836 3.913 0 50 HHAA O=C([C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CCCCCC1 2877298 JKCHMLQSMUGLNN-CQSZACIVSA-N 419.374 3.797 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1 11697237 QFDAIEBRNMBDGV-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)C3CCCCC3)CC2)c1 12202305 YMXMFNPSEJRGBH-UHFFFAOYSA-N 421.541 3.962 0 50 HHAA COc1cc(OC)c(OC)cc1CN1CC(=O)N(c2ccccc2SC)[C@@H](C)C1 12244299 VEQFXAZJNJZCGQ-HNNXBMFYSA-N 416.543 3.672 0 50 HHAA O=C(CCC1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1)N1CCN(c2ccccc2)CC1 12303855 XJWBHVQBSIOPNU-AOHZBQACSA-N 421.585 3.566 0 50 HHAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 13127187 OOEYRZDBYWJTHG-UHFFFAOYSA-N 410.433 3.855 0 50 HHAA CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(C3CCSCC3)CC2)C1=O 14538123 ZDXSVVYHFLUODT-UHFFFAOYSA-N 415.603 3.632 0 50 HHAA C[C@H](NC(=O)c1ccc(F)cc1)c1nnc(SCCOc2ccc(F)cc2)n1C 14887673 RROPLMXZKLHPJV-ZDUSSCGKSA-N 418.469 3.755 0 50 HHAA CCCCn1c(CN(C)Cc2cc3cc(F)ccc3[nH]2)cnc1S(=O)(=O)CC 15064895 IQLAKCLHSIPDCG-UHFFFAOYSA-N 406.527 3.729 0 50 HHAA CSC[C@@H](C)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 15065901 DGYHQEHEFOLYFS-QGZVFWFLSA-N 402.564 3.679 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)n2)ccc1C 16648329 SHKWFOLDPLYLEF-UHFFFAOYSA-N 418.497 3.741 0 50 HHAA FC(F)(F)c1cccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19841104 JWHDRLSMWPMYEX-UHFFFAOYSA-N 423.460 3.949 0 50 HHAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 67603757 ALOFOEFWSWBGEU-UHFFFAOYSA-N 401.514 3.501 0 50 HHAA CC(=O)c1cccc(OCCCC(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)c1 225410690 BJZXEDQBEMTIEL-UHFFFAOYSA-N 408.454 3.730 0 50 HHAA O=C(CCn1c2c(c3ccccc31)CCCC2)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225415010 NDOXNLXJQPIPIR-MOPGFXCFSA-N 415.537 3.718 0 50 HHAA biogenic C[C@H](OC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)C(=O)c1ccccc1 239038945 FEBOCRRUVMFSJR-RNHZEXENSA-N 417.461 3.650 0 50 HHAA O=C(Nc1cccc(Cl)c1)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)CC1 239426020 VPTGDJDMBLXQCZ-BFLPPAKKSA-N 424.928 3.890 0 50 HHAA Cc1ccc(NC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c(F)c1 263615925 GAKFLTFIVOQMMH-UHFFFAOYSA-N 407.493 3.911 0 50 HHAA CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2noc(-c3ccccc3F)n2)c1 328594010 HZGMFDHNIKUEMP-UHFFFAOYSA-N 409.826 3.923 0 50 HHAA Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@@H](C)C[C@@H](O)c1ccccc1)CC2 762688919 CTLXKTMAZLRGLR-WBHUJUFNSA-N 407.436 3.537 0 50 HHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCN(c2cc(C)nc(C)c2)CC1 822534963 CYGOCTYAIXHHNZ-UHFFFAOYSA-N 400.910 3.663 0 50 HHAA O=C1C[C@@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)C2(CCCC2)O1 952965565 RXUUBFMTCFPXIU-FQEVSTJZSA-N 407.514 3.582 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC[C@H]1c1nc(C(C)C)no1 952971800 QQFYLRLNXIUOAA-KRWDZBQOSA-N 415.519 3.521 0 50 HHAA C[C@H](CN1CCc2ccccc2C1)NCc1cc2ccccc2nc1N1CCOCC1 952974909 PGCSURGUIJFNDF-HXUWFJFHSA-N 416.569 3.608 0 50 HHAA CCOc1ccc(C(=O)CCC(=O)N2CCN(c3ncccc3Cl)CC2)cc1C 952985660 XHOUAVNUXGKQCC-UHFFFAOYSA-N 415.921 3.754 0 50 HHAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 1615706874 OTVGSNBWXFIDCR-MSOLQXFVSA-N 408.502 3.525 0 50 HHAA COc1ccc([C@H]2N=C(c3c(C)c(C)n(C)c3C)N=C2c2oc(C)cc(=O)c2O)cc1 1772491319 GHWLBAAVNAGVSI-HXUWFJFHSA-N 419.481 3.917 0 50 HHAA Cc1ccccc1-c1ccccc1C(=O)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857722416 HDBRVRILZPNEQR-DLGLWYJGSA-N 413.517 3.871 0 50 HHAA C[C@]1(c2ccc(F)c(F)c2)C[C@@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 1875261216 KDMJVKQQZMRSAU-RBBKRZOGSA-N 400.473 3.606 0 50 HHAA NC(=O)CCOc1ccccc1NCc1c[nH]nc1-c1ccc(Br)s1 1875326636 QZKFAVIPPGQIGR-UHFFFAOYSA-N 421.320 3.767 0 50 HHAA C[C@H](NC(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1)c1ccccc1Cl 1875350478 OUZYYEISCYEPRR-ZDUSSCGKSA-N 419.872 3.640 0 50 HHAA O=C(NCCCCn1cc(-c2ccncc2F)nn1)C(F)(F)/C=C/c1ccccc1 2325870980 XOISMCLZOZSGBZ-CSKARUKUSA-N 415.419 3.724 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 951138 DMCSLNLGNSLRJS-UHFFFAOYSA-N 402.406 3.757 0 50 HHAA O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccc2ccccc2c1 1072032 AXKJASDHGOGLLB-UHFFFAOYSA-N 403.463 3.822 0 50 HHAA COc1cc(OC)cc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3Cl)n2)c1 2799550 ATZOPUKWLOMGAP-UHFFFAOYSA-N 407.257 3.903 0 50 HHAA CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 2836343 DQIMUFZKFCWPHV-UHFFFAOYSA-N 419.355 3.975 0 50 HHAA CCOc1ccc([C@@H](CC(=O)O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 4580897 CILSRTZKYUYYAB-FBXSJCODSA-N 401.503 3.942 0 50 HHAA CCC(=O)N1CCC[C@@H](c2nc(SCC(=O)OC)ncc2-c2ccc(F)cc2)C1 12037813 RSDCHFFEQGXISB-OAHLLOKOSA-N 417.506 3.664 0 50 HHAA Cn1nccc1C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2F)cc1 12205605 YQKCOCIARKZAML-LJQANCHMSA-N 422.460 3.985 0 50 HHAA C[C@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3ccc4c(c3)OCO4)c3cccc1c32 12417599 LNOWUMLZVGLRMA-NPMABZOXSA-N 422.506 3.981 0 50 HHAA O=C(COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(Cl)cc1 101879701 RLCLQYOWGDOQQY-VUEDXXQZSA-N 407.853 3.913 0 50 HHAA Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1cccc(C(F)(F)F)c1)CCCC3 169777251 XARIUAACPLKBEN-UHFFFAOYSA-N 404.392 3.500 0 50 HHAA CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1 205328018 FLDLFVVZGVYPTL-UHFFFAOYSA-N 402.560 3.919 0 50 HHAA CC(C)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccc(F)cc1 225514419 OFPDICXKTXXTMQ-IBGZPJMESA-N 403.479 3.531 0 50 HHAA COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 229429854 GTXXAQVDPOWIJP-CCDWMCETSA-N 422.569 3.703 0 50 HHAA COc1cc2nc(N3CCC(OCc4ccc(F)cc4)CC3)nc(N)c2cc1OC 301919216 IJNDTMPLENJLAX-UHFFFAOYSA-N 412.465 3.554 0 50 HHAA COc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]4OCCC[C@H]43)nn2-c2ccccc2)cc1 439021857 NRYZWMCJLCDGIV-MZKRTTBSSA-N 403.482 3.845 0 50 HHAA CNc1nc(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cs1 1704303739 OELQJBMWEIVQFD-JOCHJYFZSA-N 405.527 3.762 0 50 HHAA Cc1nnc2n1C[C@@H](CNC(=O)c1ccc(-c3cnc4cc(F)ccc4c3)cc1)C2 2356138070 GTWIEYOENLPDLY-OAHLLOKOSA-N 401.445 3.543 0 50 HHAA Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 826794 WVWXNQZDNFLUOS-UHFFFAOYSA-N 421.931 3.769 0 50 HHAA COC(=O)c1c(NC(=O)c2c(C)cc(C)cc2C)sc2c1[C@H](C(=O)OC)CC2 951633 YHJRNMKYWLKDGT-CYBMUJFWSA-N 401.484 3.915 0 50 HHAA CCC12CN(C(=O)c3ccccc3)CC(CC)(CN(C(=O)c3ccccc3)C1)C2=O 985721 MCWLSXKMNKSQTK-UHFFFAOYSA-N 404.510 3.660 0 50 HHAA biogenic CC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1 1175075 OTWPPNKTBOYNLU-UHFFFAOYSA-N 418.405 3.815 0 50 HHAA biogenic CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccc(OC)cc4)cc3n2)cc1 2416981 WNGHJEKNFAUVGN-UHFFFAOYSA-N 418.453 3.845 0 50 HHAA O=C(NCc1ccccn1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 2873172 KSMBIMAHEWVJOT-RDJZCZTQSA-N 401.392 3.868 0 50 HHAA COc1ccc(OC)c(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)O)c2)c1 8667497 IWBQOZSUOFSKET-UHFFFAOYSA-N 420.421 3.907 0 50 HHAA CCC(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2ccc(OC)cc2)n1C 11788114 HNGDIPLXVUZSGN-LJQANCHMSA-N 410.543 3.926 0 50 HHAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CN3CCCCCC3)C2)c(C)c1 11818795 CPIFUTQOEQLNDN-HXUWFJFHSA-N 415.578 3.837 0 50 HHAA COc1ccc2cc(CN(C)CCn3cccn3)c(=O)n(Cc3ccccc3F)c2c1 11839422 CHPOAZKCQASCTB-UHFFFAOYSA-N 420.488 3.526 0 50 HHAA COC[C@@H]1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C3CCCC3)CC2)C1 12005554 JZPPHABFXOOMMU-GOSISDBHSA-N 416.562 3.590 0 50 HHAA Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 12112406 UOSHCSGYPPXMJU-MPGHIAIKSA-N 412.795 3.752 0 50 HHAA Cc1cc(C)c(C(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)o1 12314479 KITZLUXXKRQRIF-FQEVSTJZSA-N 415.553 3.952 0 50 HHAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc2c(c1)OCCO2 12443196 UWTBLEWZRVVWBZ-SFHVURJKSA-N 412.505 3.624 0 50 HHAA Cc1cc(C)nc(CCNC(=O)c2cc(COc3ccc4sc(C)nc4c3)on2)n1 15066752 GAEYJQKQKYUPKJ-UHFFFAOYSA-N 423.498 3.551 0 50 HHAA CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1C 17088545 IPFQPWXVBNELLM-UHFFFAOYSA-N 410.499 3.814 0 50 HHAA O[C@H](CN1CCN(Cc2ccccc2)CC1)Cn1c2c(c3ccccc31)CCCC2 19757974 QRHHLEHVTPUDHI-JOCHJYFZSA-N 403.570 3.699 0 50 HHAA Cc1ccccc1CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1CCO 22851146 UWWONWUWIUKLFD-QHCPKHFHSA-N 408.521 3.593 0 50 HHAA Cc1cccn2cc(CN3CCN(C(=O)c4ccc(CC(C)C)cc4)CCC3=O)nc12 299794975 KJDVWENJLKVEDI-UHFFFAOYSA-N 418.541 3.716 0 50 HHAA FC(F)(F)c1nnc2ccc(N3CCC[C@H](c4nc5c(s4)CCCC5)C3)nn12 301710323 HNWLKVSSPDKRDK-NSHDSACASA-N 408.453 3.862 0 50 HHAA O=C([C@@H](c1cccnc1)N1CCCC1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506405047 BMWMRTAJBYOTHL-OAQYLSRUSA-N 407.493 3.640 0 50 HHAA COc1cc(Cl)cc(C(=O)N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)c1 1857697768 LTTZDLPQHZMYRI-QFIPXVFZSA-N 413.905 3.842 0 50 HHAA NC(=O)c1ccc(CSc2ccc(C(=O)NCc3ccc(C(=O)O)cc3)cc2)cc1 1875263681 XBXXQVPGFKXSOK-UHFFFAOYSA-N 420.490 3.706 0 50 HHAA O=C1NC[C@@H](Cc2ccc(F)cc2)C(=O)N1Cc1ccnc(OC2CCCCC2)c1 1875289955 ATJHLFRINGVKER-GOSISDBHSA-N 411.477 3.843 0 50 HHAA COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1cnn2cccnc12 2325818712 SYHDJPRIIVBUDD-HNNXBMFYSA-N 416.279 3.869 0 50 HHAA Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)c1n[nH]c2ccc(Cl)cc12 2325840045 NBCPRRAMXQGYQV-UHFFFAOYSA-N 420.922 3.854 0 50 HHAA Cc1cc(=O)cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2cccc(F)c2)o1 2356161251 MOZGPSFIRHDONF-FUKQBSRTSA-N 424.516 3.645 0 50 HHAA O=C(Nc1ccccc1I)c1cc(-n2cnnc2)ccc1Cl 1049509 KLNAJSAOXLRZOW-UHFFFAOYSA-N 424.629 3.778 0 50 HHAA CCCN1C(=O)[C@@](O)(CC(=O)c2c(C)coc2C)c2cc(Br)ccc21 1075369 KQMAMYQSYZLKMB-LJQANCHMSA-N 406.276 3.876 0 50 HHAA CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C2 4912189 JHENXINNVBHACJ-ZDUSSCGKSA-N 401.459 3.828 0 50 HHAA Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@H]2C)c(C)o1 5058489 NMLKCZZNLXQRTH-QAPCUYQASA-N 404.532 3.568 0 50 HHAA Cc1cc(C)c2c(=O)[nH]c(SCC(=O)c3ccc(Br)cc3)nc2n1 9438753 MMVVXXOEAIBQNS-UHFFFAOYSA-N 404.289 3.672 0 50 HHAA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2Br)OCO3)CC(=O)N1 9560014 CFVSDBPBNXQZKY-CYBMUJFWSA-N 422.275 3.541 0 50 HHAA COc1cccc(C[C@]2(CO)CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)c1 12713541 OUGOFHJTTPSDML-XMMPIXPASA-N 415.530 3.538 0 50 HHAA COc1ccccc1C(=O)N1CCN(C(=O)c2oc3c(C)c(C)ccc3c2C)CC1 14974158 UJSHQVGUOGDSRL-UHFFFAOYSA-N 406.482 3.965 0 50 HHAA COc1ccc(CN(Cc2ccccn2)C(=O)c2ccc(NC(C)=O)cc2)cc1OC 15001377 YOTOXHSFEBOFEU-UHFFFAOYSA-N 419.481 3.900 0 50 HHAA COc1ccccc1-n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccn(C)n3)nc21 20603489 RBRHYZBFNNPQQO-UHFFFAOYSA-N 415.425 3.790 0 50 HHAA CN(C)c1nc(Cl)c(CN2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)s1 22914346 JCNKMFIMNSOLFX-GOSISDBHSA-N 420.026 3.649 0 50 HHAA Cc1cc(C)c(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)c(-n2cccn2)c1 23129635 LTVYVQZJRFFSKI-NRFANRHFSA-N 410.587 3.619 0 50 HHAA O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Br)cn1 37867417 QUCLKTJKSXUTRY-UHFFFAOYSA-N 405.277 3.549 0 50 HHAA aggregator COc1ccc([C@H]2[C@H](C(=O)Nc3cccnc3)c3ccccc3C(=O)N2C)cc1OC 40267882 AIOKNPIENITEMR-YADHBBJMSA-N 417.465 3.648 0 50 HHAA CCCOc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3cccc(F)c3)C2=O)cc1 100057080 JNGRKWFPUIFKGB-GOSISDBHSA-N 416.474 3.618 0 50 HHAA COc1ccc(C2(CNC(=O)[C@H]3CCCCN3C3CCCC3)CCOCC2)cc1 239359538 AEPYNSXQVWGSTG-JOCHJYFZSA-N 400.563 3.657 0 50 HHAA O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 247488613 LRKYTJGKSXCYDT-UXHICEINSA-N 413.512 3.820 0 50 HHAA COc1ccc(/C=C/CN2CCC[C@H](CNC(=O)c3cc(C(F)F)[nH]n3)C2)cc1 824646612 INGKMDNSDKHFBG-WPTTZPOMSA-N 404.461 3.511 0 50 HHAA CN(C)c1ccc(CCC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1 1529101571 HYCFAMQPLBGASA-YKSBVNFPSA-N 403.526 3.607 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)CC1 1875372195 ZHSYYTUTRVUJTP-LJQANCHMSA-N 413.518 3.562 0 50 HHAA Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CCC[C@]2(CNC(=O)C2)C1 2325720178 BDQILKRIGNZGQN-FQEVSTJZSA-N 407.345 3.649 0 50 HHAA COc1ccc(-c2cn(Cc3cc(=O)oc4cc(NC(C)=O)ccc34)nn2)cc1Cl 2325860700 QAWAGCWJWFMXRT-UHFFFAOYSA-N 424.844 3.720 0 50 HHAA CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 724998 GSQVTBHRXITBEJ-UHFFFAOYSA-N 420.307 3.599 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(Br)c2)cc1 845636 YLKLXLNLCKGINA-QGZVFWFLSA-N 416.275 3.724 0 50 HHAA CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 1018078 BRLYBXJPAWTYJV-JXAWBTAJSA-N 424.478 3.928 0 50 HHAA COc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl 1080286 ZWCHFMRGPRBHPE-UHFFFAOYSA-N 403.287 3.505 0 50 HHAA O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 2508276 MUSDDUICYXQXRT-QFIPXVFZSA-N 405.450 3.973 0 50 HHAA in-vitro CCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCOCC1 4058383 FOSGYBHCSIOYBR-UHFFFAOYSA-N 406.486 3.881 0 50 HHAA O=C(OCc1ccccc1F)c1ccc(-n2nnnc2Cc2ccccc2F)cc1 4727260 RFUJJEIBKUTYFS-UHFFFAOYSA-N 406.392 3.888 0 50 HHAA O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1c(Cl)cccc1Cl 9788991 RMCCOIOMNNDEAF-UHFFFAOYSA-N 414.252 3.528 0 50 HHAA CN(Cc1cc(-c2ccccc2)[nH]n1)C(=O)c1cn(Cc2ccccc2Cl)nn1 12433375 MHOUTCAUDUBGIK-UHFFFAOYSA-N 406.877 3.642 0 50 HHAA COCCN(Cc1cc2ccc(Cl)cc2nc1N(C)C)C(=O)c1cncs1 14998788 JSEQTWFQMFMQKD-UHFFFAOYSA-N 404.923 3.700 0 50 HHAA C[C@H](CCn1cccn1)N1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 15066920 WVFTXZBLNXCOBX-HXUWFJFHSA-N 410.562 3.831 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(Cc2cccc3nccnc23)C1 15068890 PCRNTDYZUZIJQI-FQEVSTJZSA-N 417.557 3.718 0 50 HHAA Cc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]1 20118875 SZLBVUUAVYIHAO-OAHLLOKOSA-N 406.404 3.746 0 50 HHAA CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)cc1 20528610 YGKLMOYHSZCSRW-IBGZPJMESA-N 416.949 3.803 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@@H](NC2Cc3ccccc3C2)CN1Cc1ccccc1Cl 23360390 PEWDENOLOCOIHS-GGAORHGYSA-N 411.977 3.565 0 50 HHAA COCCN(Cc1ccc(OC)c(O)c1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 55134218 UMRVEJRCPIIURT-NRFANRHFSA-N 424.585 3.729 0 50 HHAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@@H](C)CN3CCOCC3)cc12 82106899 OOSNBQHZAURYTE-INIZCTEOSA-N 409.505 3.867 0 50 HHAA CC(C)c1noc(-c2cccn3c(CNC(=O)CCCc4ccccc4)nnc23)n1 169775927 MIQSQQXPWIIEDC-UHFFFAOYSA-N 404.474 3.542 0 50 HHAA O=C(c1cccs1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777553 GFPXRQYMGYUQGO-UHFFFAOYSA-N 406.471 3.534 0 50 HHAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)CCc1ccc(Br)cc1F 240407382 FLVNEHLOAIDYPX-LNPFQXMTSA-N 404.345 3.717 0 50 HHAA CCOC(=O)[C@H]1CCCCN1CC(=O)N1CCc2sccc2[C@H]1c1cccs1 248322780 WXKMWYDETLKXQL-UZLBHIALSA-N 418.584 3.701 0 50 HHAA C[C@H](NC(=O)CN1CCC[C@H]1C(=O)NCc1ccco1)c1ccc(Cl)cc1Cl 248382521 XDURGZZLWDJFDV-UGSOOPFHSA-N 424.328 3.544 0 50 HHAA Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 252517271 DLNOKYGRVGZEJE-OKZBNKHCSA-N 408.329 3.803 0 50 HHAA C[C@](NC(=O)CCC(=O)c1ccccc1)(C(=O)O)c1cccc(Br)c1 776651559 KWTWIWQEUCPDER-LJQANCHMSA-N 404.260 3.528 0 50 HHAA O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 1875330670 XOZYEFWCLDWVSP-NVXWUHKLSA-N 407.436 3.967 0 50 HHAA CN(CCO)CCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1875358538 ZOIKSFPUSFCNDW-UHFFFAOYSA-N 420.553 3.858 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@]2(C)Cc2cccc(Br)c2)C1 1875371741 KTHUVZDNCGHBIZ-UWJYYQICSA-N 419.363 3.797 0 50 HHAA Cc1c[nH]c2ncc(C(=O)N3CCC[C@H](CNC(=O)Nc4cccc(F)c4)C3)cc12 2325879101 HXPODKFIQAJUMM-OAHLLOKOSA-N 409.465 3.684 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(CC(=O)N(C)c3ccccc3)C2)c2cccc(=O)n21 2356146361 CFKXLHARBHGZSP-QTEQDKRBSA-N 407.558 3.908 0 50 HHAA COC(=O)C1=CN(CC(C)C)C=C(C(=O)OC)C1c1cccc(Br)c1 1140618 XBHRXARXFRIRSM-UHFFFAOYSA-N 408.292 3.618 0 50 HHAA Cc1nn(C)cc1CN(C)C(=O)c1cc(Br)c(Br)s1 2795063 NWXVBBSOUSYYFN-UHFFFAOYSA-N 407.131 3.587 0 50 HHAA COc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(OC)cc2)CC3=O)cc1 4840462 RMAIZIKYJPFFGQ-MRXNPFEDSA-N 403.438 3.659 0 50 HHAA Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=N)NC3=O)cc2Cl)cc1 4906810 NBPOGDFVVXYGST-DHDCSXOGSA-N 408.888 3.555 0 50 HHAA c1cnc(-n2cccc2CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)nc1 11840332 KBWBWPLIROVYAH-DEOSSOPVSA-N 423.605 3.903 0 50 HHAA CN(Cc1ccccc1Cl)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 12298347 JYQIHHFQJXQGJE-UHFFFAOYSA-N 400.818 3.908 0 50 HHAA Cc1c(C(=O)N2CCC(CO)CC2)sc2ncnc(NCCCc3ccccc3)c12 12456026 XNZGKXSUFWOHHS-UHFFFAOYSA-N 424.570 3.889 0 50 HHAA O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1 12710656 BZLGPLVQZAXIGX-UHFFFAOYSA-N 422.529 3.767 0 50 HHAA O=C(CC[C@@H]1CCCN(C(=O)NCc2ccccc2)C1)NCc1ccc(F)c(F)c1 12744764 GNKSHLQXXBNNTP-SFHVURJKSA-N 415.484 3.983 0 50 HHAA COc1ccc(C[C@]2(CCC(=O)N[C@@H](C)c3ccc(F)cc3)CCC(=O)N2)c(F)c1 14879116 PLQAXCKIBGLURE-WNSKOXEYSA-N 416.468 3.822 0 50 HHAA CCOC(=O)[C@@]1(CCOC)CCCN(Cc2sc(N3CCCC3)nc2Cl)C1 14962718 FTGZGQVRWSCLCU-LJQANCHMSA-N 415.987 3.579 0 50 HHAA O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1cn(CCCc2ccccc2)nn1 15064327 LRZLDWQQLNGPAR-QHCPKHFHSA-N 421.520 3.617 0 50 HHAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2cc(C)c(C)[nH]c2=O)C1 15065936 YREDTGCXMSAVSG-RUZDIDTESA-N 424.541 3.800 0 50 HHAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)c2cn(CCCc3ccccc3)nn2)C1 15079255 LCVNBHYSLMVCNJ-NRFANRHFSA-N 402.498 3.646 0 50 HHAA CCn1ccnc1CN1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 20996214 HQIWJRDYRQRZNN-FQEVSTJZSA-N 421.511 3.708 0 50 HHAA COc1cccc(C(=O)N2CC[C@H]3[C@@H](CCCN3C(=O)Cc3ccccc3F)C2)c1 43608119 VICLGIXLLCGKPF-UGKGYDQZSA-N 410.489 3.530 0 50 HHAA COc1ccc(NC(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)cc1 65364150 PXIRXOVOVIKONN-UHFFFAOYSA-N 424.549 3.892 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4cc(C)cc(C)c4)CC3)nn2)nc1 72436840 CNNUYTZBOWJNSJ-UHFFFAOYSA-N 417.517 3.895 0 50 HHAA C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(=O)C(C)(C)C)C2)c1ccccc1 77375201 SBKLEOCYXRFKJZ-MRXNPFEDSA-N 400.544 3.657 0 50 HHAA CCOc1ccccc1C(=O)N[C@H]1CCCN(c2cc(-c3ccc(OC)cc3)n[nH]2)C1 169753920 KUCCSPBEYQQDAK-SFHVURJKSA-N 420.513 3.883 0 50 HHAA CC(C)c1ccc(CNC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)cc1 169759854 NFKZZCUIKMAYGF-QHCPKHFHSA-N 419.481 3.937 0 50 HHAA CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 239175765 QPNGJIVJKYBPSE-QILISPFLSA-N 417.505 3.901 0 50 HHAA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccccc4)cc3)C(=O)[C@H]2C1 239412369 SPPNDCBQBHYBME-YSGRDPCXSA-N 405.450 3.652 0 50 HHAA O[C@@H](c1ccc2c(c1)CN(Cc1cnn(-c3ccccc3)c1)CCO2)c1ccccn1 299757618 HSEMJXPXFBNQCU-VWLOTQADSA-N 412.493 3.744 0 50 HHAA Cc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)c3cnn(C(C)C)c3n2)cc1 443001356 OZOCLAZNNYNTLK-JNPMMSBMSA-N 416.525 3.829 0 50 HHAA OC[C@@H](NCCCN[C@@H](CO)c1cccc(Cl)c1F)c1cccc(Cl)c1F 499941546 ZGPMIPIAFMJVKJ-CALCHBBNSA-N 419.299 3.608 0 50 HHAA COc1ccc(C2(C(=O)NC[C@H](O)c3ccccc3C(F)(F)F)CCOCC2)cc1 762385898 NYRIKXAMZGCPIQ-IBGZPJMESA-N 423.431 3.612 0 50 HHAA CC(C)(C)c1ccc(N2CCC(NC(=O)Cn3cnc4sccc4c3=O)CC2)cc1 919705834 BTSVZTCSVGLHDB-UHFFFAOYSA-N 424.570 3.541 0 50 HHAA O=C(NCc1ccc(N=c2cc[nH]cc2)cc1)NC[C@@H]1CCCN1Cc1ccccc1 1228118458 DFHPVGMEFATYSX-DEOSSOPVSA-N 415.541 3.711 0 50 HHAA Cc1nc(C(=O)NC[C@H]2CCCN(Cc3cncn3C3CCCCC3)C2)cs1 1506411664 STSYLCZIUCKQOP-QGZVFWFLSA-N 401.580 3.795 0 50 HHAA CNC(=O)c1ccc(CN2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)o1 1704303090 WOVSBDTWLLHLTI-XMMPIXPASA-N 402.498 3.576 0 50 HHAA O=c1cccc2n1C[C@H]1C[C@H]2CN(c2nc(O)c3cc(-c4ccccc4)sc3n2)C1 1775970608 HVVCSZOASWRRIS-HOCLYGCPSA-N 416.506 3.849 0 50 HHAA Cc1cc(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)cc(O)n1 1857705311 BQBIBXJYHDZMLD-QFIPXVFZSA-N 423.557 3.808 0 50 HHAA O=C(O)c1cccc(C(=O)N(Cc2ccccc2)Cc2nc(O)c3ccccc3n2)c1 1875254242 FIRJHDZIKALNOY-UHFFFAOYSA-N 413.433 3.876 0 50 HHAA CSCC[C@@H]1NC(=S)N([C@H](C)c2ccc(OCc3cccnc3)cc2)C1=O 1875315110 IWXFIXDLGQXQPZ-KDOFPFPSSA-N 401.557 3.560 0 50 HHAA O=C(NS(=O)(=O)Nc1ccccc1)c1ccc(F)c(COc2ccc(F)cc2)c1 1875343720 SCKXVLOCHOKWAI-UHFFFAOYSA-N 418.421 3.631 0 50 HHAA COCCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 2837954 QHSXFDCPBSQCBR-UHFFFAOYSA-N 416.934 3.653 0 50 HHAA Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 4809369 RBMROFGIQMFCTI-CQSZACIVSA-N 417.512 3.658 0 50 HHAA Cc1c(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)sc2ncnc(NCCc3ccccn3)c12 12218267 SMHZOBDWZFXATR-IXDOHACOSA-N 419.554 3.991 0 50 HHAA CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)c2cnn(C(C)C)c2)CC1 12752607 VBUBZVQBAVRNNR-UHFFFAOYSA-N 401.482 3.631 0 50 HHAA COc1cc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)CC(C)C)cc(OC)c1OC 13811710 VHCIFTLXFCVHAC-UHFFFAOYSA-N 424.497 3.852 0 50 HHAA CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)cc1NC(C)=O 16649218 JKZZYKSXBUBHKP-UHFFFAOYSA-N 424.888 3.723 0 50 HHAA C[C@H](OC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1)C(=O)c1ccccc1 17986871 PUWUJNRQSUOKTA-VAKZPMALSA-N 417.461 3.816 0 50 HHAA O=C(CCc1nnc(CCc2ccccc2)o1)N1CCCN(c2ccccc2)CC1 19835910 QXXKYAFBOYPPFL-UHFFFAOYSA-N 404.514 3.526 0 50 HHAA O=C([C@@H]1CCCCn2nnnc21)N1CCCC(c2ccccc2)(c2ccccc2)C1 95525814 MHEFFYSGFDQAQU-OAQYLSRUSA-N 401.514 3.549 0 50 HHAA CC(C)(C)OC(=O)N1CCC(N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)CC1 95630466 MRECHDRIOBTOBZ-HNNXBMFYSA-N 419.513 3.620 0 50 HHAA O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 104297075 LPRDKGYMPJZAIG-POHNSKBLSA-N 402.425 3.636 0 50 HHAA COC(=O)c1cccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)cc3)no2)c1 169754618 VDTQUAJCRZYRSX-SFHVURJKSA-N 407.426 3.509 0 50 HHAA COc1ccc(-c2noc(CC3CCN(C(=O)COc4cccc(C)c4)CC3)n2)cc1 169755740 WQTATEBLKMTNKT-UHFFFAOYSA-N 421.497 3.914 0 50 HHAA CCc1cccc2c(CC(=O)N(C)C3CCN(c4cc(C)nc(C)n4)CC3)c[nH]c12 170623454 MLOARIHWHNUWCS-UHFFFAOYSA-N 405.546 3.807 0 50 HHAA Cc1cc(C)nc(Sc2ccc(NC(=O)c3n[nH]c4ccccc4c3=O)cc2)n1 170624380 WLRALCSHKMMQEB-UHFFFAOYSA-N 403.467 3.733 0 50 HHAA CCOC(=O)c1c(NC(=O)C[C@H](C)c2ccc(OC)cc2)sc(C(=O)NC)c1C 427417161 XJBQOCMYLIYDRU-LBPRGKRZSA-N 418.515 3.734 0 50 HHAA CCO[C@H](C)c1nc(-c2cc(=O)c(Br)c[nH]2)n(Cc2ccccc2)n1 1875348663 YKTTZEONJOTKID-GFCCVEGCSA-N 403.280 3.542 0 50 HHAA O=C(/C=C/c1ccccc1)NC1CCN(C(=O)C[C@H](O)c2ccc(Cl)cc2)CC1 1875379222 OICLPFWQRQBUGS-LTSKSLEPSA-N 412.917 3.584 0 50 HHAA CC(=O)Nc1nc(Cl)c(CNc2ccc(N(C)C3CCN(C)CC3)cc2)s1 2325872766 MERIEAKYZGLXQK-UHFFFAOYSA-N 407.971 3.897 0 50 HHAA CCOC(=O)c1ccc(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)cc1 1049887 BOSOHOVKQGPRLG-LJQANCHMSA-N 403.438 3.778 0 50 HHAA O=C(NCc1ccc2c(c1)OCO2)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 1114305 APUAGOGAWXJHKN-KRWDZBQOSA-N 416.739 3.555 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C 1129020 MBMGELDVMLBSHZ-UHFFFAOYSA-N 410.495 3.734 0 50 HHAA Cc1c(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c(=O)n(-c2ccccc2)n1C 1516321 VLOCYIYNDUUIEV-UHFFFAOYSA-N 409.445 3.948 0 50 HHAA Cc1ccc(-n2c(NCCO)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1 2279403 OWNHMYDOZHXJHX-UHFFFAOYSA-N 401.510 3.980 0 50 HHAA O=S(=O)(Oc1cccc2cccnc12)c1ccc(I)cc1 2998923 WIULRQKYNXOFJM-UHFFFAOYSA-N 411.220 3.607 0 50 HHAA COc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCN(CCc4ccccc4)C3)[nH]n2)cc1 11819102 SMQIVJQBFNDWOP-NRFANRHFSA-N 418.541 3.864 0 50 HHAA O=C(c1ccccn1)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2c(F)cccc2Cl)C1 11911223 WQPMEWPPGQAEER-QRWLVFNGSA-N 415.896 3.570 0 50 HHAA O=C(CCC1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1)NCc1cccnc1 11938426 ADZYHCFRSLWPAD-UHFFFAOYSA-N 418.541 3.831 0 50 HHAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)c3cccs3)cc2)CC1 11996749 MHDBKDXYHPXTFI-MRXNPFEDSA-N 416.543 3.645 0 50 HHAA O=C1CC[C@@](CCC(=O)N2CC[C@@H](c3ccccc3F)C2)(Cc2cccs2)N1 11998990 QBMPOKVKFPWIAF-OPAMFIHVSA-N 400.519 3.875 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(c3ccnc(SC)n3)C2)c1 12704928 GFWVPYGJEQKUGO-INIZCTEOSA-N 400.548 3.520 0 50 HHAA CSc1nc(O)c2c(n1)Oc1nc(SC)[nH]c(=O)c1[C@@H]2c1ccc(Cl)cc1 15798847 KLWUIENBTVYNLB-UHFFFAOYSA-N 420.903 3.649 0 50 HHAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19973802 DNKCFIFHOSXMKJ-RDTXWAMCSA-N 411.329 3.651 0 50 HHAA O=C(Cn1cnc2ccccc21)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 39447013 SHJQTKXKHGNYOC-XMMPIXPASA-N 406.505 3.690 0 50 HHAA NCC1CCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CC1 77516963 CRKJWJGPDSUCQY-UHFFFAOYSA-N 410.562 3.529 0 50 HHAA Cc1ccc(CN2CCC(N3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)o1 82086568 BSHDCGMGLPAUMN-QFIPXVFZSA-N 409.574 3.623 0 50 HHAA CC(C)(C)N(Cc1ccccn1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 170607560 ULPORLZIUFJAPE-UHFFFAOYSA-N 415.559 3.697 0 50 HHAA COC(=O)c1ccc(O)c(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 225737404 BDHUMOOVSHYLSI-UHFFFAOYSA-N 405.332 3.636 0 50 HHAA O=C1[C@H]2[C@@H](c3ccncc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1Cl 229809328 DVBZCJRJEDPHLH-XUVXKRRUSA-N 405.841 3.786 0 50 HHAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc2c(c1)oc1ccccc12 239173766 OPVIIPNZEKVHJG-OPZHZCDLSA-N 412.445 3.578 0 50 HHAA CCC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1NS(C)(=O)=O 252481815 CTAPFCCCPUKAGE-SFHVURJKSA-N 405.907 3.799 0 50 HHAA Cc1ccc(NC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c(F)c1 263616011 GLNVLDJSJFMDGQ-MRXNPFEDSA-N 407.493 3.911 0 50 HHAA Cc1nc(Oc2cccc(C(=O)NCC(N)=O)c2)c2c(-c3ccccc3)csc2n1 301291977 PRJLJUYNVULUFL-UHFFFAOYSA-N 418.478 3.674 0 50 HHAA Cc1ccc(-c2ncccc2NC(=O)N[C@H](C)c2nnnn2-c2ccccc2)s1 446589388 JTGYJRBNPRUCJN-CQSZACIVSA-N 405.487 3.977 0 50 HHAA CCc1nc(N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3C(=O)C2)ncc1C 1857702945 JOGKXSUAAYAJQE-NRFANRHFSA-N 422.573 3.950 0 50 HHAA O=C(O)[C@H]1CN(Cc2cnc(-c3cccc4ccccc34)nc2)CC12CCOCC2 1857706841 SOWPIRGXCDKUOD-OAQYLSRUSA-N 403.482 3.610 0 50 HHAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2nc(C)sc2c1 1875263414 MAVAYDWZRAUWLU-LJQANCHMSA-N 408.483 3.880 0 50 HHAA O=C1CCc2cc(CC(=O)N3CCc4c(F)cc(Br)cc4C3)ccc2N1 1875330271 VTVBWCCNAORRPV-UHFFFAOYSA-N 417.278 3.600 0 50 HHAA CO[C@@H](C)C(=O)N1CCN(C(=O)[C@H](C)c2ccc(-c3ccccc3Cl)cc2)CC1 2325828211 BAFIEFPWUSLRGL-SJORKVTESA-N 414.933 3.816 0 50 HHAA CC(C)(C)C(=O)[C@H](Oc1ccc(C(=O)O)cc1)C(=O)Nc1cc(N)ccc1Cl 642126 XLTGMNNJLKNJLD-INIZCTEOSA-N 404.850 3.622 0 50 HHAA COc1cc(CN2C(=S)NC3(CCCCC3)[C@H]3CCCC[C@@]32O)cc(OC)c1 783523 SZBFRSOCGUPPTM-DENIHFKCSA-N 404.576 3.976 0 50 HHAA CC(C)c1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 1051796 VXZCURNTVHAFKN-GOSISDBHSA-N 400.475 3.953 0 50 HHAA O=C(c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 1056391 SDNGDJBWCIHCJG-UHFFFAOYSA-N 420.943 3.701 0 50 HHAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)c1C 1114780 KFOCBTVTACDIRA-LFYBBSHMSA-N 415.446 3.883 0 50 HHAA CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 2883512 VZYIMGIHYPKPBV-UHFFFAOYSA-N 421.733 3.729 0 50 HHAA O=C1[C@H](c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C(=O)CN1C1CCCCC1 3037491 MMHHHXGLLASCBS-QHCPKHFHSA-N 424.472 3.799 0 50 HHAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc1OC 4189460 GLYGYSYYNZWBQD-FQEVSTJZSA-N 402.491 3.988 0 50 HHAA Cn1cccc1Cc1nnc(SCC(=O)NC2CCCC2)n1CCc1ccccc1 5035141 NJALMZUKLSIXCP-UHFFFAOYSA-N 423.586 3.601 0 50 HHAA CC[C@@H](CO)NCc1cc(OC)c(OCCc2ccccc2)cc1Br 5065281 HCQNABIGGQPROO-KRWDZBQOSA-N 408.336 3.940 0 50 HHAA O=C1C[C@H](C(=O)NC[C@H]2Cc3cc(F)cc(-c4cccnc4)c3O2)c2ccccc21 11995476 OYJNDJWQMQRPOE-UTKZUKDTSA-N 402.425 3.678 0 50 HHAA CCOc1ccccc1CNC(=O)COc1ccc(C)cc1-n1nc2ccccc2n1 12412475 JPPIKEULALUSDF-UHFFFAOYSA-N 416.481 3.823 0 50 HHAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc(C(C)C)cs2)CC1 14965771 WHOYUNDZARWAFD-LJQANCHMSA-N 406.640 3.859 0 50 HHAA Cc1cc2nc(N3CCC(C(=O)N[C@H]4CCOC(C)(C)C4)CC3)nc(C)c2cc1C 14966939 OAYSBPWCAMIDRE-IBGZPJMESA-N 410.562 3.845 0 50 HHAA CCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)c(C)n1 15064864 MUZGYMXCJSMITE-UHFFFAOYSA-N 410.562 3.881 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 17090771 DGUFXYSKIBSHAD-SNPRPXQTSA-N 416.543 3.761 0 50 HHAA COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2 19792463 GANIUVLKIDOWOC-UHFFFAOYSA-N 413.499 3.717 0 50 HHAA C[C@H](NCc1cn(C)nc1-c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)no1 20600411 GXDRTEMKMJDMJL-HNNXBMFYSA-N 417.469 3.759 0 50 HHAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1 20613941 RZUJMDFONACTLR-UHFFFAOYSA-N 403.306 3.639 0 50 HHAA COc1cc(CN2CCN(Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)cc(OC)c1 39519111 IRKBAFQWNKVDAQ-HXUWFJFHSA-N 423.557 3.562 0 50 HHAA Cc1c(CN2CCC[C@@](CO)(CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C 55414784 MXBMINVHGARNFP-AREMUKBSSA-N 419.569 3.692 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(SC)cc3)C[C@H]2CCO)c(F)c1 104357395 CCINMOOHFPNXIW-LJQANCHMSA-N 404.551 3.625 0 50 HHAA COc1cnc(O[C@@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c2cc(Cl)ccc12 144141087 CAEYUPOMJGVDFL-DOMZBBRYSA-N 422.865 3.738 0 50 HHAA C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 225461783 FKKQMZMCZZKANE-KBXCAEBGSA-N 418.925 3.901 0 50 HHAA O=S(=O)(NC1CC1)c1cccc(NCc2c(F)cccc2OC(F)(F)F)c1 225807289 GBSADZSMUGLXJQ-UHFFFAOYSA-N 404.385 3.777 0 50 HHAA Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 239439240 ZQDLSNLFCXRWRT-PXVQWCDCSA-N 416.521 3.884 0 50 HHAA O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)[C@H]1CC(=O)N(Cc2ccco2)C1 252500967 UAJXSCDUYUFGRW-UGSOOPFHSA-N 411.889 3.957 0 50 HHAA O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)c1ccccc1Cl)CC2 299756743 GBFSEERNJPEAEO-LJQANCHMSA-N 411.933 3.726 0 50 HHAA CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 1475234118 CXFBQJGULGHPJV-VDGAXYAQSA-N 411.926 3.902 0 50 HHAA OC[C@@]12CNC[C@H]1CN(Cc1ccc3c(c1)C1c4ccccc4C3c3ccccc31)C2 1772708470 HOGKWTHONYKFAD-CRKXQSFDSA-N 408.545 3.688 0 50 HHAA O=C(C[C@@H]1CC=CCC1)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c3c([nH]c12)CCC3 2325872828 OMASOOXSMWHUNH-SQNIBIBYSA-N 403.526 3.828 0 50 HHAA Cc1cc(C)cc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccccc2)c1 660979 DTZDFMYATGWGDP-UHFFFAOYSA-N 400.544 3.757 0 50 HHAA O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 675419 URPAWXBJDSJWAY-GOSISDBHSA-N 422.287 3.587 0 50 HHAA COc1cc(CN2C(=S)NC3(CCCCC3)[C@H]3CCCC[C@]32O)cc(OC)c1 783524 SZBFRSOCGUPPTM-KNQAVFIVSA-N 404.576 3.976 0 50 HHAA Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1nc2ncccn2n1 924023 ZLIYYJGJMMPPRL-UHFFFAOYSA-N 416.272 3.545 0 50 HHAA COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc1OC 1189183 NEFGITYMIBBRAT-SFHVURJKSA-N 417.918 3.789 0 50 HHAA Cc1ccc2c(c1CCC(=O)O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 3811419 HWEOXFSBSQIWSY-MRXNPFEDSA-N 407.919 3.501 0 50 HHAA in-man CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)O 4521264 ATUMDPHEFWGCJF-HNNXBMFYSA-N 414.886 3.714 0 50 HHAA in-vitro CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 5060190 OJPRQFCOQVXSKV-UHFFFAOYSA-N 424.950 3.854 0 50 HHAA Oc1nnc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@@H]2c1ccc(Cl)cc1 10232687 IZNBHKJXRDNIPF-MRXNPFEDSA-N 412.240 3.837 0 50 HHAA Cc1n[nH]c(C)c1CCN1C(=O)CC[C@H]1CCNCc1cccc(C(F)(F)F)c1 12055239 JABBDEWOLVMFRG-SFHVURJKSA-N 408.468 3.759 0 50 HHAA CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cn1 12307518 BEMFMXSHFMBHKY-UHFFFAOYSA-N 405.502 3.941 0 50 HHAA COc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1O 12594230 DOFURHDKPMPTHN-UHFFFAOYSA-N 424.476 3.826 0 50 HHAA CC1(C)CC(=O)c2sc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)nc2C1 16651796 APGOFRZGJYNQQE-UHFFFAOYSA-N 417.556 3.851 0 50 HHAA O=c1[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1CCCC2 19991294 NERSOZOTLPDIOW-UHFFFAOYSA-N 400.526 3.560 0 50 HHAA O=c1ccc(-c2ccccc2)nn1CCNCc1c[nH]nc1-c1cc2ccccc2o1 20779349 GCMBZIWXNMUUER-UHFFFAOYSA-N 411.465 3.836 0 50 HHAA CS(=O)(=O)N1CCC(C(=O)Nc2ccc(CSc3ccccc3)cc2)CC1 65363990 CZQLQLOKPMAOQF-UHFFFAOYSA-N 404.557 3.589 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)nn2)nc1 72139259 ATNQIFVWSIURAD-UHFFFAOYSA-N 408.893 3.539 0 50 HHAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(Cl)c1 100500384 VKWSFDREYVMNBZ-FPCVCCKLSA-N 414.889 3.699 0 50 HHAA C[C@@H](OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)C(=O)c1ccccc1 197180891 FEBOCRRUVMFSJR-XHXDDVKMSA-N 417.461 3.650 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C(=O)NC2CC2)C1 239038485 DGUFXYSKIBSHAD-VHDGCEQUSA-N 416.543 3.761 0 50 HHAA C[C@@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 390832650 YETAEDSYZIPMMS-DYESRHJHSA-N 402.450 3.728 0 50 HHAA O=C(NCCc1ccc(F)cc1F)c1ccc(CS(=O)(=O)c2ccccc2)o1 732645376 ZHTOJPHLDIGMOJ-UHFFFAOYSA-N 405.422 3.504 0 50 HHAA COC(=O)[C@H](NC(=O)c1ccnn1-c1ccccc1)c1cccc(C(F)(F)F)c1 1288526600 OZEVDXKODHVNHM-QGZVFWFLSA-N 403.360 3.535 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)cc1 1466915815 ZGXKXRAOEQFNLR-GOSISDBHSA-N 401.507 3.529 0 50 HHAA CN(C(=O)c1ccc(CN2CCc3ccccc3C2)cc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529102115 WTQIRPYBXADDEZ-OQQNJPJOSA-N 404.554 3.866 0 50 HHAA O=C(c1cccn(Cc2c(Cl)cccc2Cl)c1=O)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100534378 FTOUGZRZQHNHHB-QKDCVEJESA-N 421.324 3.579 0 50 HHAA CC1(C)C[C@](NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)(C(=O)O)CCO1 2325851791 JJEAXISCCQSDJO-FQEVSTJZSA-N 404.850 3.670 0 50 HHAA Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 631708 USVYVMQMQYPXQA-UHFFFAOYSA-N 406.269 3.809 0 50 HHAA COc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC[C@@H]4CCCO4)c3C)C2)cc1OC 1070378 VQMRMSKFTNTPFH-HOTGVXAUSA-N 413.470 3.589 0 50 HHAA O=C(NC[C@H]1CCCO1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 1095033 DVESZZJQQHNJGR-QGZVFWFLSA-N 403.276 3.610 0 50 HHAA COc1ccc(C2(CNC(=O)c3ccc(Br)cc3)CCOCC2)cc1 1132058 UMVCZMDFRFLODT-UHFFFAOYSA-N 404.304 3.936 0 50 HHAA biogenic COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 1156497 RKSPWBPSGHMWRA-UHFFFAOYSA-N 400.906 3.560 0 50 HHAA COc1ccc(CSc2nnc([C@@H](Cc3ccccc3)NC(=O)C3CC3)n2C)cc1 11786635 LTCCAGVNTRJOEB-HXUWFJFHSA-N 422.554 3.926 0 50 HHAA COc1cc(C(=O)NC2CCCCCCC2)ccc1OC1CCN(C(C)=O)CC1 12094464 CSWGFNIOQGWDJN-UHFFFAOYSA-N 402.535 3.928 0 50 HHAA O=C(NC[C@H]1CCCO1)c1cccc(NC(=O)c2ccccc2Br)c1 12138215 KRMZTOXDTXAVDM-OAHLLOKOSA-N 403.276 3.610 0 50 HHAA CC(=O)OCC(=O)Nc1c(C(=O)N(C)c2ccccc2)sc2nc(C)cc(C)c12 12446488 PQMXFRQISUHZKV-UHFFFAOYSA-N 411.483 3.691 0 50 HHAA Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1nc2ncccn2n1 12845308 QVFPWDMUFFGJFV-UHFFFAOYSA-N 416.272 3.545 0 50 HHAA CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 14949265 FDUTVMZGTKLALD-INIZCTEOSA-N 411.889 3.878 0 50 HHAA CSC[C@H](C)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 15065902 DGYHQEHEFOLYFS-KRWDZBQOSA-N 402.564 3.679 0 50 HHAA CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNCc1cc(-c2ccccc2)on1 20271975 KXURXIAYKHSSPX-UHFFFAOYSA-N 409.877 3.634 0 50 HHAA Cc1cc(CN(C)Cc2cccc(OC[C@@H](O)CN(C)C3CCCCC3)c2)no1 95524093 MWBCPTRUXYRPJQ-QFIPXVFZSA-N 401.551 3.619 0 50 HHAA CC(C)(C)OC(=O)NC1CCC(N2CCN(C(=O)OCc3ccccc3)CC2)CC1 95630341 ALNSORIFMQKXTJ-UHFFFAOYSA-N 417.550 3.777 0 50 HHAA in-vitro CC(=O)c1ccccc1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100974748 MYMQTRFECVPLFM-LRGYGIHKSA-N 403.434 3.644 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)COc4cccc(C)c4)C3)[nH]n2)cc1 169775342 UXUWXYXUFVQDBN-IBGZPJMESA-N 420.513 3.558 0 50 HHAA CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c12 238937401 VCBYYOYUJKKMIP-SDWUMEBZSA-N 413.514 3.585 0 50 HHAA biogenic Cc1cc(C)c(N2CC[C@H](N[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)C2=O)c(C)c1 253429210 MKESYZTUMLPMOO-AABGKKOBSA-N 415.578 3.952 0 50 HHAA CC(C)(C)OC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 328596448 QOYGDMHGFDHVLF-JTQLQIEISA-N 413.845 3.711 0 50 HHAA OCc1cccc(N(Cc2nc(CC(F)(F)F)no2)C2Cc3ccccc3C2)c1 470872361 JHNTWFOMTOLJCC-UHFFFAOYSA-N 403.404 3.841 0 50 HHAA COc1ccc(S(=O)(=O)N[C@H](CCC(=O)O)Cc2ccccc2)c2ccccc12 484879417 VQWZBCHYOUFSPH-QGZVFWFLSA-N 413.495 3.603 0 50 HHAA O=C(OCc1csc(COc2ccc(F)cc2)n1)c1nnc(O)c2ccccc12 749153057 SRANJEFBZXWVCQ-UHFFFAOYSA-N 411.414 3.867 0 50 HHAA O=C(Nc1ccc(F)c(Br)c1)N[C@@H](C(=O)O)[C@@H]1CCc2ccccc21 1875323898 WERYDFHVNCVSEO-CZUORRHYSA-N 407.239 3.893 0 50 HHAA COCC[C@@H](NC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1F)C(=O)O 1875344434 KSKNGGNOWRDLGE-OAHLLOKOSA-N 401.394 3.554 0 50 HHAA CCOc1ccc(C2C(C(=O)OC)=CN(Cc3ccccc3)C=C2C(=O)OC)cc1 1120294 XDSOMGXOIFCHMN-UHFFFAOYSA-N 407.466 3.799 0 50 HHAA COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@@H]3C2=O)cc1 1232697 LYUAKDPPOCCQEU-ZCOIRKDISA-N 423.468 3.835 0 50 HHAA biogenic CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(OC)cc(OC)c2)cc1 2831827 ANLZKYSODQVURD-UHFFFAOYSA-N 416.499 3.788 0 50 HHAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCCCCC1 5112916 DBNXSSVPNKYUJO-UHFFFAOYSA-N 420.962 3.934 0 50 HHAA CC1=C(C(=O)N2CCc3ccc(NC(=O)c4ccccc4Cl)cc3C2)OCCO1 11818738 FFCZXPXPXAQQLL-UHFFFAOYSA-N 412.873 3.755 0 50 HHAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cccc(C)n3)CC2)c1 11873309 UAUZDURRCJZRKM-UHFFFAOYSA-N 409.530 3.678 0 50 HHAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2c(C)nn(C)c2Cl)C1 11957626 AGFAQAJHGMIHIO-JOCHJYFZSA-N 419.953 3.996 0 50 HHAA CSc1ccccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3ccccn3)CC2)O1 11967531 JWSBWKAMJHMGIE-IBGZPJMESA-N 411.571 3.747 0 50 HHAA COc1ccc(CNC(C2CC2)C2CC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12056943 QRPWIRVIBQAOGJ-HSZRJFAPSA-N 424.585 3.845 0 50 HHAA Cc1ccc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@H]2CCCO2)o1 12149020 YDTASUQYUXEYKL-GOSISDBHSA-N 413.547 3.678 0 50 HHAA CC(=O)Nc1cccc(S(=O)(=O)N2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c1 12456022 LBEVJZTVTFCBAC-INIZCTEOSA-N 420.918 3.582 0 50 HHAA COc1ccccc1CCN1CCC(CN(C)C(=O)[C@@H]2CC(=O)c3ccccc32)CC1 12595750 HKRKLXLQIXIKMI-HSZRJFAPSA-N 420.553 3.778 0 50 HHAA Cc1cc(CN[C@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)on1 19742403 DTUJLPRLHUCRPQ-INIZCTEOSA-N 412.559 3.982 0 50 HHAA O=C(c1ccn(COc2ccccc2)n1)N1CCN(Cc2ccc(Cl)cc2)CC1 20028682 OPAATSRUTADZIX-UHFFFAOYSA-N 410.905 3.531 0 50 HHAA Cc1cc(C)c(N2C(=O)[C@@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(Cl)cc2)c(C)c1 239347132 MEEXDUQQLLCMAT-SESVDKBCSA-N 409.917 3.801 0 50 HHAA Cc1ccc(CNC(=O)c2ccc3c(c2)CN(Cc2ccccc2)C(=O)CO3)cc1 263615263 BMXKEVUFRVGMAQ-UHFFFAOYSA-N 400.478 3.846 0 50 HHAA O=C(NC[C@H]1CCCCO1)N(Cc1ccc2c(c1)OCO2)Cc1ccccc1F 426533962 ZLHNPBLQIJGUBN-GOSISDBHSA-N 400.450 3.835 0 50 HHAA O=C1CN=C(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)N1 918354308 DUWHNDWUUIUMDO-UHFFFAOYSA-N 406.445 3.784 0 50 HHAA Cc1c(Cl)c(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)nn1C 1351246154 VHQIBMFNIRCBRE-UHFFFAOYSA-N 401.816 3.525 0 50 HHAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCCN(Cc3ccc(F)cc3)CC2)no1 1506408700 ZINHTHOHRLXERG-UHFFFAOYSA-N 417.916 3.884 0 50 HHAA CCC(=O)Nc1cncc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1 1857531494 FAYQMBWDCBQWJB-UHFFFAOYSA-N 402.882 3.722 0 50 HHAA O=C(NCCC[C@H]1CCC[C@@H]1O)NCc1ccc(Cn2cnc3ccccc32)cc1 1875263996 MQXLUGPATFAALI-OFNKIYASSA-N 406.530 3.825 0 50 HHAA CCOc1ccccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O 821323 GAWYGHLNWBETME-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(Br)c3)n2)cc1 1074919 HNAFAAPCAFKTBD-UHFFFAOYSA-N 419.304 3.974 0 50 HHAA COc1cc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc(OC)c1OC 2305091 BTOZUXIBBYOLNO-UHFFFAOYSA-N 414.405 3.858 0 50 HHAA Cc1cccc(C(=O)Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)c1 2835440 BVTYKMBCTALVLL-UHFFFAOYSA-N 410.524 3.780 0 50 HHAA O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1cccs1)NC(=O)c1ccco1 4801961 BGCSMHLRKRVBFB-CPNJWEJPSA-N 405.479 3.952 0 50 HHAA O=C(COc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 101880236 DSSFNNUPHHAWPT-VUEDXXQZSA-N 407.853 3.913 0 50 HHAA Cn1cc(CNCc2nnc3n2CCC3)c(-c2ccc(Oc3ccccc3)cc2)n1 20910846 IZGQCLPCVDNKNZ-UHFFFAOYSA-N 400.486 3.707 0 50 HHAA CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4nc5ccccc5s4)CC3)nn12 32102283 WIJRWUIBCQVGII-UHFFFAOYSA-N 421.530 3.713 0 50 HHAA CSCC[C@H](NS(=O)(=O)c1cccc2ccccc12)c1nnc2ccccn12 437229333 UDUKKQKGRXRMBV-KRWDZBQOSA-N 412.540 3.655 0 50 HHAA CC(C)(C(=O)O)c1ccc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 486301036 SGJCENIQVDQZKE-QGZVFWFLSA-N 400.862 3.694 0 50 HHAA Cc1csc(Oc2ccc(NS(=O)(=O)c3cc(Cl)cnc3N)cc2F)n1 241930350 UHWWIHIRLMXDDN-UHFFFAOYSA-N 414.871 3.814 0 50 HHAA COC(=O)C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccc(Cl)c(Cl)c1 239254601 YLZTWNDSCCJXGQ-ZOWXZIJZSA-N 402.274 3.605 0 50 HHAA CCc1ccc([C@H]2CCCN(C(=O)[C@H](C)NC(=O)c3n[nH]c4ccccc34)C2)cc1 1449163298 NMIJYCYWABNWEP-LPHOPBHVSA-N 404.514 3.650 0 50 HHAA COCCN1CC[C@@H](CN(C)Cc2ccccc2OCCCCN2CCCCC2)C1 1506400961 HLLABZCJHLNGOC-QHCPKHFHSA-N 417.638 3.732 0 50 HHAA O=C(c1ccc(C(=O)N2CCCC[C@H]2CCc2ccccc2)cc1)N1CCOCC1 1506405850 OAIONDAJQNNUDB-QHCPKHFHSA-N 406.526 3.787 0 50 HHAA CC1(C)CC(CC(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)CC(C)(C)N1 1529111418 XYJNBBJXHZYFTJ-KNQAVFIVSA-N 409.574 3.544 0 50 HHAA COc1ccc(N[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)cc1OC 11754011 ZLGMWTJAGWLSIY-OAQYLSRUSA-N 410.562 3.640 0 50 HHAA O=C(NCc1cccs1)[C@H]1CC12CCN(C(=O)CSc1ccccc1)CC2 11841293 BDPMQZQRYYMJSU-GOSISDBHSA-N 400.569 3.785 0 50 HHAA COc1ccc(CCN2CCC(CN(C)C(=O)CSc3ccncc3)CC2)cc1 12320431 FFBMANRVVAROFH-UHFFFAOYSA-N 413.587 3.595 0 50 HHAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3ccccc3)CC2)cc1 12593230 FHQKJXLZBFYEJE-UHFFFAOYSA-N 404.470 3.621 0 50 HHAA Cc1ncccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14540077 NWDDJGFNXGVXBQ-QFIPXVFZSA-N 421.541 3.593 0 50 HHAA Cc1csc(CN(C)[C@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)n1 14965740 WMDDMEQNLBPIGF-HNNXBMFYSA-N 421.950 3.847 0 50 HHAA Cc1cc2cc(CNC(=O)[C@@H]3CCC(=O)N(CCc4cccc(F)c4)C3)ccc2[nH]1 15074235 KVTYUIJYDBNVRR-LJQANCHMSA-N 407.489 3.713 0 50 HHAA COc1ccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc1OC 169753517 SHJNANLJRROOEV-GOSISDBHSA-N 424.476 3.632 0 50 HHAA COc1cccc(-c2cccc(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3)c2)c1 1875243283 ZLVVGQIEKQTXHL-ZEQRLZLVSA-N 403.478 3.937 0 50 HHAA COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)c1 1172716 PYCKXBMXPNFKSZ-HXUWFJFHSA-N 411.527 3.752 0 50 HHAA CCOC(OCC)c1nnc(S[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1C 2325860983 ATPVBDJOCXVMEB-CQSZACIVSA-N 414.572 3.768 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)CC1 2325889595 YFIXBZDNZRGPFZ-WMLDXEAASA-N 405.336 3.578 0 50 HHAA O=S1(=O)N(C[C@@H]2CC2(Cl)Cl)c2ccccc2N1C[C@@H]1CC1(Cl)Cl 913549350 QMLFJGALGOVRPU-UWVGGRQHSA-N 416.157 3.945 0 50 HHAA COc1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 660993 XZIXYLJULAMNDH-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cccnc3)cc2)CC1 803502 DNOWULGORUNNHT-UHFFFAOYSA-N 400.482 3.605 0 50 HHAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@H](C)O[C@@H](C)C4)c3n2)cc1 815396 CEWIKACZNNDERF-STQMWFEESA-N 416.428 3.592 0 50 HHAA COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2cccc3cccnc23)cc1 1050112 MLFUIOBDQWRPCA-UHFFFAOYSA-N 408.435 3.872 0 50 HHAA COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1I 1051936 HRASZOHKWJNQJK-UHFFFAOYSA-N 417.268 3.717 0 50 HHAA CCc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 1122107 XIHBSXRWJHAJNC-UHFFFAOYSA-N 415.342 3.638 0 50 HHAA CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccccc3Br)N2C1=O 2463398 VICSZUHJKJVOTO-OCCSQVGLSA-N 409.305 3.661 0 50 HHAA CN(Cc1ccn(C)n1)C(=O)c1ccc(COc2ccc(Br)cc2)o1 2794491 USHVZFQVZDFJTH-UHFFFAOYSA-N 404.264 3.627 0 50 HHAA O=C(NC[C@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc(F)cc1Cl 11786664 VSGURLKEPPHHPI-GOSISDBHSA-N 417.912 3.818 0 50 HHAA COc1cccc(CN2CCC[C@@H](NC(=O)c3c[nH]nc3-c3cccc(F)c3)C2)c1 12433975 VHPVLUDDAXPWNQ-LJQANCHMSA-N 408.477 3.619 0 50 HHAA COC(=O)c1c(NC(C)=O)c2cc(N[C@@H](C)CCc3ccc(OC)cc3)cnc2n1C 14534927 BVSSLEVZQXGRGU-AWEZNQCLSA-N 424.501 3.760 0 50 HHAA Cc1ccc(CNC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CCCC3)cc1 17081943 HKZSZXYNSCHOAP-UHFFFAOYSA-N 400.500 3.669 0 50 HHAA Cc1ccc(C2(c3noc(CN4CCN(c5ccccn5)CC4)n3)CCCC2)cc1 19300809 OARXWYQXDIJVTN-UHFFFAOYSA-N 403.530 3.955 0 50 HHAA CC(C)CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc(O)cc3)CC2)C1=O 19883031 BXFFNNFWUJJYLW-UHFFFAOYSA-N 421.541 3.847 0 50 HHAA CN1c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2C(=O)N2CCCCC[C@@H]21 169765984 KFIRRKRNEIUITH-OAQYLSRUSA-N 407.470 3.502 0 50 HHAA CCN(CC)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O 215510903 RLFPRSXLLDJIHO-UHFFFAOYSA-N 407.314 3.957 0 50 HHAA CCn1c(-c2ccncc2)nnc1S(=O)(=O)Cc1csc(C2CCCCC2)n1 225684111 NZAFLYYLLHXAMW-UHFFFAOYSA-N 417.560 3.838 0 50 HHAA O=C1CCCN1c1cccc(OCc2nc(-c3ccc(-c4cc[nH]n4)cc3)no2)c1 761604429 DSJFDEVTMUQDFN-UHFFFAOYSA-N 401.426 3.833 0 50 HHAA C[C@H](C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1cn(C)c2ccccc12 772838287 AEMNCMJBJOWZHN-DJJJIMSYSA-N 418.415 3.940 0 50 HHAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)C1c2ccccc2-c2ccccc21 1529168429 DAOSASDQQZHTHS-INIZCTEOSA-N 421.522 3.611 0 50 HHAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)C2(c3ccccc3F)CC2)CC1 1857684853 HPRUOMYWNMUPLX-UHFFFAOYSA-N 415.486 3.708 0 50 HHAA COc1ccc([C@H](NC(=O)NCc2nc(-c3ccco3)n[nH]2)c2ccc(C)cc2)cc1 1875256090 IXERRPZDVNSCRR-OAQYLSRUSA-N 417.469 3.971 0 50 HHAA Cn1ncc(C(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)c1Cc1ccccc1 2325840827 SDZZBNBUTHSELC-IOMROCGXSA-N 422.326 3.842 0 50 HHAA CCc1nn(C)c(Cl)c1CN1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356150289 VHELSTWLINAJLX-HSZRJFAPSA-N 414.981 3.836 0 50 HHAA CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c1 644521 UGEVDZLZQYWWOL-UHFFFAOYSA-N 418.559 3.612 0 50 HHAA Cc1n[nH]c(C)c1C(=O)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 1071213 PTVWOQVZRLYBMO-HSZRJFAPSA-N 423.900 3.730 0 50 HHAA O=C(Nc1cccc(Br)c1)c1cccc(OC(=S)N2CCOCC2)c1 1195864 PWMIWEPTWWAQOX-UHFFFAOYSA-N 421.316 3.697 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cn2)c1 1196876 WZWJWXFJYQHMBO-UHFFFAOYSA-N 402.303 3.671 0 50 HHAA CC(C)Oc1ccc(CCNCc2c(C(=O)N3CCCC3)nc3sccn23)cc1 23338410 XTAFDHXXYHKOKT-UHFFFAOYSA-N 412.559 3.751 0 50 HHAA Cc1cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc(N2CCCCC2)n1 64799805 BFGDIJUEDMORFT-UHFFFAOYSA-N 417.916 3.530 0 50 HHAA Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2 538312 RAPZEAPATHNIPO-UHFFFAOYSA-N 410.493 3.590 0 50 HHAA biogenic,fda CC1=NN(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)[C@@](O)(C(F)(F)F)C1 653356 FZMQSNAZSRPBEY-IBGZPJMESA-N 408.376 3.820 0 50 HHAA CCn1cc(Cl)c(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)n1 673555 TTYAFCWZMOLMPW-UHFFFAOYSA-N 400.914 3.644 0 50 HHAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 676232 WJLFMRHNHJKVAF-GFCCVEGCSA-N 405.834 3.628 0 50 HHAA CCOc1ccc(OCc2ccc(-c3nc4c5cnn(C)c5ncn4n3)cc2)cc1 2802140 VDDHECBSDNUMIB-UHFFFAOYSA-N 400.442 3.656 0 50 HHAA COc1cccc([C@@H]2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1OC(C)C 4488785 OLMLIRKVNQKLFO-AWEZNQCLSA-N 401.459 3.982 0 50 HHAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc2sc(N3CCCC3)nc2s1 476547665 OGAVEVQVUAPPPM-CYBMUJFWSA-N 417.560 3.512 0 50 HHAA O=C(NC1CCN(Cc2ccncc2)CC1)[C@H](Oc1ccccc1)c1ccccc1 487810532 RJEZKFTWXOTGGA-XMMPIXPASA-N 401.510 3.983 0 50 HHAA CCC[C@@H]1CCc2sc(C(=O)N3CCN(c4ccc5nccn5n4)CC3)cc2C1 426727529 RKKHBJFCLYFSRY-MRXNPFEDSA-N 409.559 3.658 0 50 HHAA CCc1ccc(O[C@H](C)c2nnc(NC(=O)CCN3CCCCC3=O)s2)cc1 1940197699 KDYYXVMIRJKXQW-CQSZACIVSA-N 402.520 3.582 0 50 HHAA Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)N1CC[C@H]1c1cccc(F)c1 1476481081 SHZGLMOXOOAEHQ-FQEVSTJZSA-N 412.465 3.517 0 50 HHAA O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1c2ccccc2Sc2ccccc21 2294070 JIVUHWVKZLCEIE-HNNXBMFYSA-N 402.475 3.946 0 50 HHAA CCOC(=O)[C@@H]1S[C@@]2(C(F)F)C[C@H]1c1c(c(OC)c3occc3c1OC)O2 1772492463 PZLVJWVPNIQKIN-UMKOJWQKSA-N 400.399 3.956 0 50 HHAA Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccc[n+]([O-])c4)CC3)cc2)c1 11873434 HWRIJDADJDAHCO-UHFFFAOYSA-N 415.493 3.786 0 50 HHAA O=C([C@H]1CC12CCN(Cc1ccc3c(c1)CCO3)CC2)N1CCc2ccccc2C1 12122659 XKHUYWXIFANGTN-HSZRJFAPSA-N 402.538 3.809 0 50 HHAA Cc1cnc(C)c(-c2ccc(F)c3c2O[C@@H](CNC(=O)c2sc(C)nc2C)C3)n1 12130106 XDBACASWDDYIPQ-CQSZACIVSA-N 412.490 3.706 0 50 HHAA O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2ccccc2Br)CC1 13686460 HGPFLALNNMQWGQ-UHFFFAOYSA-N 412.287 3.529 0 50 HHAA COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(CC(C)(C)C)CC3)C2=O)cc1 14733424 BCRMAPZBXILOPX-UHFFFAOYSA-N 415.578 3.996 0 50 HHAA Cc1c(C(=O)NCc2cccc(F)c2F)sc2ncnc(NC[C@@H]3CCCO3)c12 14889361 RPSCEXFNFZFISP-ZDUSSCGKSA-N 418.469 3.799 0 50 HHAA COc1cccc([C@H]2Cn3nnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)c1 169758472 JXAZCVGWPLYTQH-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA COc1ccccc1NC(=O)COc1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc1OC 428520804 XRQWBRBSUCCLCC-APWZRJJASA-N 424.497 3.736 0 50 HHAA CC[C@@H]1CCc2nc(O)c(C(=O)Nc3cccc(CN4CCC(O)CC4)c3)cc2C1 1294101083 QGJYLPYDUORYOS-MRXNPFEDSA-N 409.530 3.511 0 50 HHAA C[C@@H](Nc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)c1ccc(N2CCCC2=O)cc1 1875257620 YOYJXBQGEAWVBW-NQIIRXRSSA-N 420.557 3.684 0 50 HHAA c1ccc(CCn2c3ccccc3c3nnc(SCCN4CCOCC4)nc32)cc1 19799396 NNFXERWHBDRASM-UHFFFAOYSA-N 419.554 3.647 0 50 HHAA O=C(Nc1ccc2c(c1)oc1ccccc12)NC1CCN(C(=O)c2cnccn2)CC1 2325734116 YSJXWIXMKAETCT-UHFFFAOYSA-N 415.453 3.802 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC2CCCCCC2)c1 629305 URKOBZMJLYENIP-FQEVSTJZSA-N 402.491 3.940 0 50 HHAA COc1cc(NC(=O)S(=O)(=O)c2ccccc2)ccc1NC(=O)c1ccco1 1217295 VGNYFGYYEQNGQS-UHFFFAOYSA-N 400.412 3.546 0 50 HHAA COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 1410563 NDFILIFKTLOECF-UHFFFAOYSA-N 417.494 3.864 0 50 HHAA CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 1786867 YPCLQPUKIYRCJB-UHFFFAOYSA-N 413.503 3.601 0 50 HHAA Cc1oc2cc(OS(C)(=O)=O)ccc2c(=O)c1-c1ccc(Br)cc1 2107424 POQSYPJONCJNNN-UHFFFAOYSA-N 409.257 3.869 0 50 HHAA biogenic O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccnc1 2229114 SLTUPAPHOYOBHL-UHFFFAOYSA-N 420.900 3.950 0 50 HHAA COc1ccc(C(=O)[C@H](OC(=O)CNC(=O)c2cccs2)c2ccccc2)cc1 2823788 SNKCXTNFZRMOAD-OAQYLSRUSA-N 409.463 3.654 0 50 HHAA COCCCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccc(C)cc1 2866664 GHGTZTRBIYGYFY-UHFFFAOYSA-N 416.499 3.940 0 50 HHAA CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1cc(Cl)c(Cl)cc1Cl 4810453 LDTYCBUIZZNYID-UHFFFAOYSA-N 413.754 3.815 0 50 HHAA CC(=O)O[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2NC1=O 8743412 WFNOHKYMHSJTSM-QGZVFWFLSA-N 407.651 3.781 0 50 HHAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc4ccccc34)CC2)n1 9620671 GKTZMUPQADHMBO-UHFFFAOYSA-N 415.541 3.891 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@@H](NCCc1ccccn1)CC3 11981013 MQCJXOALGNPFKS-IBGZPJMESA-N 416.550 3.591 0 50 HHAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)cc1 12308890 FFAPXEHRGMKPBX-IBGZPJMESA-N 405.498 3.509 0 50 HHAA CC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3nc4ccccc4o3)no2)cc1 12372916 VHUCWJMYJNJOHI-UHFFFAOYSA-N 405.410 3.870 0 50 HHAA Cc1nc[nH]c1CN(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 12445221 GICZZOBADJSXHM-OAQYLSRUSA-N 400.542 3.750 0 50 HHAA O=C(NC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 12754458 GVTWWAKVYFSOGJ-HNNXBMFYSA-N 409.511 3.667 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(NS(=O)(=O)c2cccs2)cc1 15269459 ITQQIKMJYQFEHL-UHFFFAOYSA-N 416.480 3.572 0 50 HHAA O=C(O)CCCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2 17090334 CBTPPUGTADYFFD-UHFFFAOYSA-N 415.515 3.535 0 50 HHAA O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 35350983 OHOBRINTNILUNR-UHFFFAOYSA-N 414.414 3.577 0 50 HHAA CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21 58655571 AAAQFGUYHFJNHI-SFHVURJKSA-N 423.904 3.656 0 50 HHAA in-vitro CCc1noc(-c2cn(C3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nn2)n1 169777354 KHOLODKZSRZPJU-UHFFFAOYSA-N 408.506 3.665 0 50 HHAA Cc1cccc(N2CCN(C(=O)Nc3ccc(Br)nc3C)[C@@H](C)C2)n1 170591610 IXOMRNQRNVNQDF-ZDUSSCGKSA-N 404.312 3.599 0 50 HHAA COc1cccc([C@H](NC(=O)Cc2csc(NC(=O)C(C)C)n2)c2ccccn2)c1 225386478 XZZRMDJOYZDPIO-FQEVSTJZSA-N 424.526 3.590 0 50 HHAA CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 240902837 IVQYJAPZHMYESC-OAHLLOKOSA-N 407.507 3.768 0 50 HHAA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1 245325290 FGBUMEXHLWVKHB-MISYRCLQSA-N 402.535 3.918 0 50 HHAA C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)Cc1csc(-c2cccs2)n1 248010854 YGGQQMPCOLDQJG-IPYPFGDCSA-N 412.602 3.870 0 50 HHAA Cn1cccc1[C@@H]1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 463398990 YICUEBXCYXKCPI-KRWDZBQOSA-N 406.255 3.622 0 50 HHAA O=C(c1csc(-c2ncccn2)n1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1506411444 YQERXYYAZJLERP-GEQKSPFYSA-N 420.538 3.893 0 50 HHAA COc1cccc2c(C)cc(N3CCC[C@]4(CCc5cnc(N(C)C)nc54)C3)nc12 1704311955 GWNHFWBLHMBYGF-DEOSSOPVSA-N 403.530 3.892 0 50 HHAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)N1CCC3(CCCO3)CC1)C2 1772812736 PNMMOSZWHHESPG-OAHLLOKOSA-N 401.532 3.691 0 50 HHAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc1F 1875243913 DDQWGFMOFBVNCV-HYBUGGRVSA-N 404.485 3.796 0 50 HHAA CC[C@@H](NC(=O)NCc1nn(C)c2ccccc12)[C@H](O)c1ccc(C(F)(F)F)cc1 1875260096 FQJFTRARHBOCER-VQIMIIECSA-N 420.435 3.904 0 50 HHAA COC(=O)[C@](C)(CC1=CCCCC1)NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819947 VWHOSFUWJYMHTI-IQOKHDRSSA-N 412.530 3.535 0 50 HHAA CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)O)CCCC3)cc1 2325841481 WUDCTVGNUOCYQY-UHFFFAOYSA-N 416.499 3.659 0 50 HHAA COCCn1ccnc1NC(=O)c1cccnc1Oc1cccc(Br)c1 2325855617 IGSNOPBQHGDHDH-UHFFFAOYSA-N 417.263 3.732 0 50 HHAA CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(I)cc1 644678 LTIXDYFVAMDYBB-UHFFFAOYSA-N 417.268 3.799 0 50 HHAA Cc1cccc(-n2cc(C(=O)OCC(F)(F)F)c(C(=O)OCC(F)(F)F)n2)c1C 4542268 YFMKQHHCPXOWSU-UHFFFAOYSA-N 424.297 3.927 0 50 HHAA CN(C)CCNC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N 4757848 RLPKUKUTIUFMHT-UHFFFAOYSA-N 408.449 3.856 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc(OC)c4c(c3)OCO4)C2)c(OC)c1 11945455 FPZJASYHJIQREP-MRXNPFEDSA-N 413.470 3.536 0 50 HHAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cccc(Cl)c2)CC1 12577896 YMYFCRZLUJSJGX-HXUWFJFHSA-N 405.970 3.573 0 50 HHAA COc1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)cc(OC)c1OC 12835303 PXSLAQHKSZQBJO-KDLAUNOPSA-N 408.498 3.655 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCCc1ccc(OC)cc1)C2 14536702 ZLHIRAGOHVTXLO-HXUWFJFHSA-N 424.589 3.617 0 50 HHAA COCc1c(C(=O)NCc2ccc(F)cc2)cnn1-c1nccc(-c2cccs2)n1 14989571 SFLBSFLNIKXDQJ-UHFFFAOYSA-N 423.473 3.606 0 50 HHAA O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2ccc(CO)o2)CC1 15075574 YNKWUNFCWHSPQJ-UHFFFAOYSA-N 407.470 3.810 0 50 HHAA CCOc1ccc(CN2CCN(Cc3nc4ccccc4n3CC)C[C@@H]2CCO)cc1 20534132 NXDINHMSNPDROX-NRFANRHFSA-N 422.573 3.524 0 50 HHAA FC(F)(F)c1cccc(N2CCN([C@H]3CCCN(CCCn4cccn4)C3)CC2)c1 20542369 JWLKDDYQFIWICX-NRFANRHFSA-N 421.511 3.579 0 50 HHAA C[C@@H](CN1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1)c1ccccc1 20615405 OPZMHBYBMAVJBL-FQEVSTJZSA-N 408.542 3.806 0 50 HHAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)n1 33326781 XAIKFDLTEJWVIG-UHFFFAOYSA-N 416.529 3.893 0 50 HHAA O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2ncsc2C(F)(F)F)cc1 170614557 SVPPBEGKIDCOPM-GFCCVEGCSA-N 414.409 3.715 0 50 HHAA O=C(Nc1cccc(Cl)c1)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)CC1 239426021 VPTGDJDMBLXQCZ-ORXAMUQLSA-N 424.928 3.890 0 50 HHAA CCc1ccc([C@H](NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c2cccs2)cc1 240934474 JCJGVSSNUQTMPN-LKUPVBHCSA-N 400.569 3.970 0 50 HHAA COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(F)c(Cl)c3)C2)cc1OC 241657633 PXXGMSGOHHOJEO-INIZCTEOSA-N 412.870 3.607 0 50 HHAA O[C@H](c1ccncc1)c1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccccc1)CCO2 299764472 HGAUHIPMYKCUOA-RUZDIDTESA-N 412.493 3.948 0 50 HHAA O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCN(C(=O)c2ccccc2Cl)CC1 670463573 OTDJAEQUMOLNRZ-UHFFFAOYSA-N 414.868 3.524 0 50 HHAA FC(F)(F)CCN1C[C@H]2CN(Cc3cncnc3)C[C@@]2(CCc2ccccc2)C1 1772811242 SHKZLNAOAAQJSF-LEWJYISDSA-N 404.480 3.796 0 50 HHAA O=C(Cc1ccc2nc(O)[nH]c2c1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 1875256770 KQXZXMURGNMJDL-JOCHJYFZSA-N 401.466 3.573 0 50 HHAA CCOc1cc2c(c3[nH]c(C(=O)Nc4cc(C(N)=O)c(F)cc4F)cc13)O[C@H](C)C2 1875256846 IKWBYZIBMPRLEF-SECBINFHSA-N 415.396 3.519 0 50 HHAA COc1ccc(CNc2ccc3[nH]nc(C(=O)O)c3c2)cc1OCc1cccnc1 1875302101 ZUUDGSCOQYICHI-UHFFFAOYSA-N 404.426 3.856 0 50 HHAA COc1ccc(C2=NN(C(=O)CC(C)(C)CC(=O)O)[C@@H](c3ccco3)C2)cc1OC 1875388625 IYMXJBGQXCDCEF-MRXNPFEDSA-N 414.458 3.866 0 50 HHAA C[C@@H]1CN(Cc2cccc(CNC(=O)c3cnn(-c4ccccc4F)c3)c2)C[C@@H](C)O1 2325717960 UFDJWMYDMFQOTD-QZTJIDSGSA-N 422.504 3.551 0 50 HHAA CN(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 972141 WRVYMAPEJBFNQQ-UHFFFAOYSA-N 424.522 3.904 0 50 HHAA CCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)c1 1062546 KPPPBEIWBJDGRD-UHFFFAOYSA-N 415.515 3.815 0 50 HHAA COc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1 1075332 ROSRRHKIYUHCFQ-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA Cn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1cccnc1 1076741 JARGDMQSIZNVDI-UHFFFAOYSA-N 409.393 3.507 0 50 HHAA COC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 1077888 INPOUEJTWMZFAN-UHFFFAOYSA-N 424.478 3.835 0 50 HHAA COc1ccc(OC)c([C@H]2CC(=O)c3c([nH]c(C(=O)OCCOC(C)C)c3C)C2)c1 2469455 YINDWEZTFOYUIS-OAHLLOKOSA-N 415.486 3.835 0 50 HHAA COc1cc(OC)c(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1OC 4828638 NQDQRALQWKHVAH-UHFFFAOYSA-N 411.458 3.813 0 50 HHAA CSc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1 4980320 ZPZUYUJYTQCQHY-UHFFFAOYSA-N 404.557 3.764 0 50 HHAA CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(=O)NCc1ccco1 6554649 ZDNXZGYMXMNADE-ZTCOLXNVSA-N 412.530 3.663 0 50 HHAA biogenic,in-vitro COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1 6659282 OFEMJZBHRNXNJO-UHFFFAOYSA-N 402.516 3.901 0 50 HHAA CCc1ccc(CN2CCC3(CC[C@H](CNC(=O)c4csc(C)n4)O3)CC2)cc1 11881326 VTUMSDSDKJELBR-HXUWFJFHSA-N 413.587 3.958 0 50 HHAA COc1cccc(C[C@]2(CCC(=O)NCCc3c[nH]c4ccccc34)CCC(=O)N2)c1 12038404 VAJDHIKRWUFGMC-VWLOTQADSA-N 419.525 3.507 0 50 HHAA Cc1ccc2c(C)c(C(=O)N3CCC(N4CCC(C(=O)NC5CC5)CC4)CC3)oc2c1 12464638 ASOSEZNOEIGBHE-UHFFFAOYSA-N 423.557 3.645 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCCc1cccs1)C2 14743792 SXMDXIDUILJZGW-KRWDZBQOSA-N 400.592 3.670 0 50 HHAA CC1(C)C[C@@H](C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCCCc2ccccc2)CCO1 14972265 ZFUGPBQWIOUQNY-LEWJYISDSA-N 412.574 3.569 0 50 HHAA O=C(Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1)c1ccc2c(c1)OCO2 15066497 ZUGXQWDQSBQXRF-UHFFFAOYSA-N 422.485 3.528 0 50 HHAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)c2cn(CCCc3ccccc3)nn2)C1 15079252 LCVNBHYSLMVCNJ-OAQYLSRUSA-N 402.498 3.646 0 50 HHAA Cc1ccc(N2C(=O)C[C@@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1Cl 20395315 HDFAPBXNCKXMED-OAQYLSRUSA-N 411.933 3.535 0 50 HHAA c1ccc(CCc2noc(CN3CCN([C@H]4CCc5ccccc5C4)CC3)n2)cc1 20784117 RBCYSMKKPFYTLJ-QHCPKHFHSA-N 402.542 3.530 0 50 HHAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nc2c(s1)CCCC2 71279489 PKTSTVXALMEUEY-UHFFFAOYSA-N 400.891 3.538 0 50 HHAA COc1cccc(C(=O)NC[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1OC 77405955 CPMPUNQGRBLKME-QGZVFWFLSA-N 402.922 3.999 0 50 HHAA CCOC(=O)c1csc(CCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)n1 170605281 FYUNWKHRRLPHIK-CQSZACIVSA-N 404.532 3.744 0 50 HHAA O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC(O)(Cc2ccc(F)cc2)CC1 483312260 HGRXLDKWUONVLB-VXKWHMMOSA-N 412.505 3.825 0 50 HHAA CCC(=O)N1CCC(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)CC1 822529919 YUZWZVJZLXTVEL-FQEVSTJZSA-N 405.970 3.632 0 50 HHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 952980921 YAWZUQRLQXNBGW-OAHLLOKOSA-N 405.926 3.553 0 50 HHAA Cc1c(CN(C)C(=O)C[C@@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)cnn1C 1857728070 LSLNAJUJQOPMTC-HNNXBMFYSA-N 415.925 3.788 0 50 HHAA Cc1c(F)cc(S(=O)(=O)Nc2cc(Cc3ccccc3)ccc2O)cc1C(=O)O 1875324113 IFYHOUPRWZOMCJ-UHFFFAOYSA-N 415.442 3.930 0 50 HHAA O=C(N[C@@H](CO)c1c(F)cccc1F)c1cc(-c2ccccc2)n(-c2ccccn2)n1 2325721288 RKNSTHPHKINXHY-IBGZPJMESA-N 420.419 3.676 0 50 HHAA COc1cnc(Br)cc1C(=O)NCc1noc(-c2ccccc2)c1C 2325818863 AIWLPLAEDLZXCQ-UHFFFAOYSA-N 402.248 3.746 0 50 HHAA O=C(CCC(=O)c1cccs1)N[C@H]1C[C@@H](NC(=O)[C@H](F)CC2CCCCC2)C1 2325825943 IRTJUOCDNZVOOP-IXDOHACOSA-N 408.539 3.783 0 50 HHAA O=C(c1cn(CCc2ccccc2)nn1)N1CCc2ccccc2[C@@H]1C(F)(F)F 2325827251 ABVCCJLHCXJBMO-LJQANCHMSA-N 400.404 3.823 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cnc(-c3ccccc3)n2C)CC1 2356168332 ZAUULCJTOIYMOY-UHFFFAOYSA-N 417.509 3.800 0 50 HHAA O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 993562 GBYRDWDZZPYLTJ-GOSISDBHSA-N 422.287 3.587 0 50 HHAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1049248 FEDHOQXDKMBWSQ-SFHVURJKSA-N 424.522 3.913 0 50 HHAA O=C1CCCc2c1cc(C(=O)NCCc1ccccc1)c(=O)n2-c1ccc(Cl)cc1 1132969 SXPCLASHEOSCCK-UHFFFAOYSA-N 420.896 3.982 0 50 HHAA O=C1N[C@H](c2cccs2)[C@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 4144249 FPEQHSJHBCNENB-JMSVASOKSA-N 404.797 3.505 0 50 HHAA CN(Cc1ccnc2ccccc12)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 11821340 VFTQTODCDXFSNA-LJQANCHMSA-N 405.473 3.771 0 50 HHAA CSCc1ccc(C(=O)N2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)o1 12386822 DUOBMFRNRRLHOF-UHFFFAOYSA-N 404.536 3.801 0 50 HHAA O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CCN(C(=O)C1CCOCC1)CC2 14991935 HNLZGJPQOQVWQR-QFIPXVFZSA-N 424.585 3.670 0 50 HHAA O=[S@@](C[C@H](O)COc1c(F)c(F)c(F)c(F)c1F)c1nc2ccccc2s1 15931000 HRYQOZQMLPHROP-IXDPVJGYSA-N 423.384 3.539 0 50 HHAA Cc1nonc1CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 20915111 XFPZNHQFGRXCQP-UHFFFAOYSA-N 403.442 3.591 0 50 HHAA O=C(Nc1cccc2c1CCN(Cc1ccc3nsnc3c1)C2)c1ccncc1 23339204 LEPOEUXXRAMCJY-UHFFFAOYSA-N 401.495 3.897 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4noc(Cc5ccccc5C)n4)c3CO2)cc1 169769072 NGANAVUTXVDIAK-IBGZPJMESA-N 403.442 3.507 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4noc(-c5ccc(C)c(F)c5)n4)c3CO2)cc1 169770865 SYPBAUWACQFPFB-GOSISDBHSA-N 407.405 3.723 0 50 HHAA Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(Cl)nc3OC3CCC3)cn2)n1 170595627 CPRDDBXXYDKOTH-UHFFFAOYSA-N 411.893 3.794 0 50 HHAA COCCn1c(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)cc2cc(Cl)ccc21 170613459 IRHKNBAMMUEENP-APWZRJJASA-N 403.954 3.935 0 50 HHAA COc1cnc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)nc1 328589914 QGDZPCKRYPDSLJ-UHFFFAOYSA-N 404.220 3.672 0 50 HHAA O=C([C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 475467468 NQUGTUPODPSFQI-GCNIXRPASA-N 419.500 3.976 0 50 HHAA Cc1ccc([C@@H]2COCCN2C(=O)c2c(C)nc3ccc(Br)cn23)o1 476047692 HBOFVJNFSLDFMQ-AWEZNQCLSA-N 404.264 3.520 0 50 HHAA Cc1ccc(CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c(Oc2ccccc2)c1 849558297 MQZOIBMCJVUULD-DHIUTWEWSA-N 418.541 3.873 0 50 HHAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2CCCC[C@@H]2CCn2cccn2)s1 1506419774 WTGCYDLHSADQLJ-MRXNPFEDSA-N 420.560 3.850 0 50 HHAA O=S(=O)(c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1)N1CC[C@@H]1c1ccc(F)cc1 1506421942 LUBRTBXYOCWVQL-CYBMUJFWSA-N 415.368 3.963 0 50 HHAA O=C(C1CCN(C2CCCCC2)CC1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704345482 XVKUAORDUZUSNT-PXDATVDWSA-N 421.585 3.641 0 50 HHAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 904677 HOJSYTSMTOVVSL-UHFFFAOYSA-N 410.923 3.573 0 50 HHAA Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 974227 QEPKJDWRLSGDDS-CABCVRRESA-N 410.392 3.701 0 50 HHAA biogenic,in-vitro O=C1c2ccc(-c3nc4cc(Cl)ccc4c(=O)o3)cc2C(=O)N1Cc1cccnc1 1118135 OEKXQBGTIIFRJZ-UHFFFAOYSA-N 417.808 3.700 0 50 HHAA COCc1cc(C)nc2sc3c(c12)N[C@H](c1ccc(Br)o1)NC3=O 1446030 OFLXKEAKKCEXGL-AWEZNQCLSA-N 408.277 3.961 0 50 HHAA CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC)cc3)CC2=O)cc1 4673197 UJNQBMMXWWJWBR-QGZVFWFLSA-N 410.470 3.644 0 50 HHAA O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(Br)cn1 6244482 HUKHNXWSKLKUBO-UHFFFAOYSA-N 419.300 3.800 0 50 HHAA CCOC(=O)C[C@H](NC(=O)c1cc(COc2ccc(OC)cc2Cl)on1)C(C)C 11844181 BUIBBJZCXDWEIK-INIZCTEOSA-N 424.881 3.623 0 50 HHAA CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc3nonc3c2)CC1 11933710 GWPFTRHLVYNPFY-UHFFFAOYSA-N 409.486 3.837 0 50 HHAA O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1ccc(N2CCOCC2)cc1 12304478 VRQZZRIHTIMEET-NRFANRHFSA-N 420.488 3.655 0 50 HHAA CCc1nc(C)c(CN2CC[C@]3(CCCN(Cc4cccc(OC)c4OC)C3)C2)[nH]1 12440646 ABJDURDDKUAGKB-DEOSSOPVSA-N 412.578 3.786 0 50 HHAA COc1ccc(-c2cc(C(=O)O)n3nc4nc(C(F)(F)F)cc(C)c4c3n2)cc1 13645100 LQZNLPIYKBMBCK-UHFFFAOYSA-N 402.332 3.979 0 50 HHAA CCOc1cc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)ccc1OC 19362926 OJDQHBZQGYOBQA-UHFFFAOYSA-N 423.601 3.876 0 50 HHAA Cc1nonc1[C@@H]1CCCN1c1ccc(-c2nc(COc3ccccc3)no2)cn1 39430145 XOUPPZLHTHRCIP-KRWDZBQOSA-N 404.430 3.744 0 50 HHAA C/C(=C\c1ccco1)CN1CCc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2CC1 55568757 CAPFZVDNLCGGMR-POWXATIXSA-N 419.529 3.632 0 50 HHAA COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100885572 TXCVPJXFZGFUTA-QCQDVHPSSA-N 422.868 3.912 0 50 HHAA O=C(Nc1ccc2c(c1)C(=O)NC2)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 109463507 GCTHUEKIQSUSHE-UHFFFAOYSA-N 419.441 3.631 0 50 HHAA COc1cccc([C@H]2Cn3nnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)c1 169758470 DDADFPSPOQCFDQ-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA O=C(O)C[C@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(F)cc1F 170592102 UMDUXPYOZBBMOQ-SFHVURJKSA-N 418.421 3.946 0 50 HHAA COc1ccc(-c2nn3c(nc2=O)-c2cc(Cl)ccc2N[C@]32CCSC2)cc1 170620146 BATHXMZGSHGJGF-HXUWFJFHSA-N 412.902 3.850 0 50 HHAA C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 239305951 GFWDVHDPAHYDLP-YIUROUNPSA-N 410.942 3.512 0 50 HHAA CN(C)c1ccc(NC(=O)c2ccc3c(c2)CN(Cc2ccccc2)C(=O)CO3)cc1 263617410 NQSCHDJHLXPVDC-UHFFFAOYSA-N 415.493 3.926 0 50 HHAA O=c1cc(CN2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)nc2ccccn12 328606709 SMQRKZJBNQJNCX-GOSISDBHSA-N 405.433 3.611 0 50 HHAA O=C(c1nc(C2CC2)n(-c2ccccc2Cl)n1)N1CCCC2(CCOCC2)C1 461003931 AYWCQKGMPIMRGX-UHFFFAOYSA-N 400.910 3.831 0 50 HHAA COc1cc(OC)c(NC(=O)CN2CCN(c3cc(C)ccc3C)CC2)cc1Cl 486227056 FGRSFDFHBOUQTB-UHFFFAOYSA-N 417.937 3.735 0 50 HHAA Cc1cc(C)cc(-c2cc(NC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)n[nH]2)c1 1310131209 VBVDILKWEBQQBX-UHFFFAOYSA-N 419.485 3.810 0 50 HHAA Cc1ccc(Cl)cc1CNC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 1479487475 CNULTAGCYAEDJA-UHFFFAOYSA-N 414.937 3.728 0 50 HHAA Fc1ccc(N2CCC(NC34C[C@@H]5C[C@H](C3)CC(n3cncn3)(C5)C4)CC2)cc1F 1506400759 FYPDDJGHYIAXKU-WDXRGRCHSA-N 413.516 3.863 0 50 HHAA O=C(c1ccnc(NCC[C@@H](c2ccc(F)cc2)c2ccco2)c1)N1CCOCC1 1529168161 XHRQMKUQXNFVGD-FQEVSTJZSA-N 409.461 3.920 0 50 HHAA COc1cccc(CN(CCc2ccc(F)cc2)C(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)c1 1704314940 YUCWNDXISVHZKJ-WTIAFYNJSA-N 415.505 3.582 0 50 HHAA Cc1cc(C)n(-c2cccc(CN3CCC[C@]4(CCc5c(O)nc(C)nc54)C3)c2)n1 1857691770 CNGBMRZPFPTRIQ-DEOSSOPVSA-N 403.530 3.773 0 50 HHAA O=C1N(Cc2ccccn2)CCC[C@]12CCCN2Cc1ccc(OC(F)F)cc1 2100473366 KGRDRLAMSPKXSV-QFIPXVFZSA-N 401.457 3.840 0 50 HHAA O=C1CSc2ccc(NC(=O)c3cc(=O)c(OCc4ccccc4)co3)cc2N1 2325744679 XSWSWLLUUTZLSF-UHFFFAOYSA-N 408.435 3.515 0 50 HHAA O=C(N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21)C12CCC(C(=O)N3C[C@@H]4[C@H]5CC[C@@H](C5)[C@H]43)(CC1)CC2 2325750122 QVQLVDVBBSOMCH-IVLXDBIOSA-N 408.586 3.841 0 50 HHAA Cc1cc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c2cccc(C)c2n1 2356147479 YDRNULAESLOKET-RUZDIDTESA-N 415.541 3.828 0 50 HHAA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Br)cc2)cc1C 717311 YTEKJYXBLFZHKA-UHFFFAOYSA-N 418.320 3.772 0 50 HHAA C[C@H](O)Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccccc1 1125379 YHFJHBYDEBVZNL-ZDUSSCGKSA-N 402.907 3.575 0 50 HHAA CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)cc1 1161804 RQOBOEZLDGKDNS-JOCHJYFZSA-N 416.433 3.920 0 50 HHAA Cc1ccc(C)c(N2C(=O)[C@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@@H]3C2=O)c1 1195598 LIZOMENHPWXLET-ZCOIRKDISA-N 409.485 3.847 0 50 HHAA CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1 4750037 WNCWYMZUCLFVJV-UHFFFAOYSA-N 415.471 3.743 0 50 HHAA Cn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cccnc1 6698934 HDVQFWDLXXWTCH-UHFFFAOYSA-N 408.512 3.731 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCN(C=O)CC2)cc1F 11816939 UPUUMFIAQYCYFK-UHFFFAOYSA-N 422.504 3.660 0 50 HHAA O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 11970846 RINPRFIETJKKDZ-GOSISDBHSA-N 422.868 3.793 0 50 HHAA CC1=C(CCN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)C(C)(C)CCC1 12054349 JHNXZDPRHOVKEL-GOSISDBHSA-N 401.599 3.886 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(Cc2cccc(OCCO)c2)C1 12210090 LKILXATTWHWHQB-VWLOTQADSA-N 411.542 3.754 0 50 HHAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)CSC)O3)c1 12329666 ZMCKRDWKHTYCCJ-HNNXBMFYSA-N 407.919 3.807 0 50 HHAA COc1cccc(C(=O)N(C)CC2CCN(CCc3ccc(F)cc3)CC2)c1OC 12429793 UIONSVNTGJLMFN-UHFFFAOYSA-N 414.521 3.870 0 50 HHAA O=C(NCCSc1ncn[nH]1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 14973585 FGGNYKLWNQDKAP-UHFFFAOYSA-N 413.890 3.712 0 50 HHAA Cc1c(C(=O)NCc2ccc(F)cc2F)sc2ncnc(NC[C@H]3CCCO3)c12 14979414 OQXACTGFZKRISZ-CQSZACIVSA-N 418.469 3.799 0 50 HHAA O=C([C@@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCC([C@H](O)c2ccccc2)CC1 15001334 WMXYRKTXRKRZNF-FCHUYYIVSA-N 412.917 4.000 0 50 HHAA O=C(Nc1ccnn1C1CCN(C(=O)CCc2ccccc2Cl)CC1)C1CC1 15063955 HJLLAHAEAKDYHN-UHFFFAOYSA-N 400.910 3.681 0 50 HHAA Cc1ccc([C@@H]2SC[C@H]3C(=O)N(c4cnn(Cc5ccccc5)c4)C(=S)N23)cc1 20606287 CSFONXPSIMLRBX-FPOVZHCZSA-N 420.563 3.988 0 50 HHAA O=C(NCc1cccnc1)c1cccc(OC2CCN(C3CCSCC3)CC2)c1 23540826 IXFCPDJZSHIZIV-UHFFFAOYSA-N 411.571 3.750 0 50 HHAA O=C(Nc1nn(CC(F)(F)F)c2cccc(Oc3cccnc3)c12)[C@@H]1CCOC1 72436211 GSWRLEMLFQONJF-GFCCVEGCSA-N 406.364 3.761 0 50 HHAA COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2c1ncnc(C)c1C 77459970 PEAJUGFHJTYWRQ-FPOVZHCZSA-N 400.482 3.763 0 50 HHAA COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)c1 100820580 WNZDBUBAODIDHW-FUHWJXTLSA-N 420.465 3.802 0 50 HHAA CC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1 101227420 BVHPVMBSUYMRAO-USNOLKROSA-N 403.434 3.644 0 50 HHAA CC[C@@H](N[C@H](C)c1nnc(-c2ccccc2F)s1)c1cccc(S(N)(=O)=O)c1 170616893 PTQICLHGDRUWCO-SJKOYZFVSA-N 420.535 3.794 0 50 HHAA CCC(CC)N(C(=O)Cn1c(=O)cnc2ccccc21)[C@@H]1CCCc2cccnc21 170617613 QTZCMIKJQGGCFD-OAQYLSRUSA-N 404.514 3.886 0 50 HHAA CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCOC[C@H]12 247991102 ATDGRSXIBYIPFI-FPOVZHCZSA-N 415.415 3.876 0 50 HHAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 486014110 ZKDWDGXXIGVMPJ-NRFANRHFSA-N 424.460 3.759 0 50 HHAA O=C(OCc1nnc(C2CC2)o1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 746929171 WHVMWJQJZDORSY-UHFFFAOYSA-N 411.418 3.752 0 50 HHAA O=C(Nc1cccc(-c2cn[nH]c2)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 761585069 YFXALJIKVCAOGY-UHFFFAOYSA-N 410.424 3.846 0 50 HHAA CC1(C)CC(NC(=O)[C@H]2CC[C@H](CN3Cc4ccccc4C3=O)CC2)CC(C)(C)N1 952962478 AXSUJICIRIHVBA-IYARVYRRSA-N 411.590 3.874 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCCO[C@H](c3ccccc3)C2)(c2ccccc2)CC1 1443581486 KWEQQMPOBMFHBS-QHCPKHFHSA-N 418.537 3.723 0 50 HHAA Cc1cc(C(=O)N2C[C@H]3CCC[C@](O)(c4ccccc4)[C@H]3C2)cc2sc(N)nc12 1704297020 CPWBBQITOVCZNB-TWWFPWMWSA-N 407.539 3.947 0 50 HHAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCCCc1ncc[nH]1 1857739619 XRSRVDYSCOXOEW-CQSZACIVSA-N 401.898 3.560 0 50 HHAA C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2ccc(NC(C)(C)C)cn2)nn1CCCN(C)C 2325872478 ZQGFTHZRIZDFNR-QZTJIDSGSA-N 413.614 3.875 0 50 HHAA C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N)c1ccccc1 1160351 PEPZUDFJRSSKQC-LLVKDONJSA-N 422.341 3.935 0 50 HHAA COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC 1647160 CHXSDKWBSFDZEU-UHFFFAOYSA-N 402.399 3.512 0 50 HHAA endogenous,in-man COCCCN1C(=O)c2ccc(C(=O)OCc3ccc(C(C)(C)C)cc3)cc2C1=O 1787478 VLORYDLKZJEEFM-UHFFFAOYSA-N 409.482 3.974 0 50 HHAA COc1ccc(Cl)c(N2CCN(CCCNC(=O)Nc3ccc(C)cc3)CC2)c1 4058257 FXEQPMSYJAWBQO-UHFFFAOYSA-N 416.953 3.991 0 50 HHAA COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O 4618961 IJWWXENHNDEFOY-QRYOHXEKSA-N 406.954 3.907 0 50 HHAA Cc1oc(-c2ccccc2Cl)nc1C[S@@](=O)CC(=O)NCc1cccs1 5058211 HFGUFENSMLJGDO-SANMLTNESA-N 408.932 3.930 0 50 HHAA O=C(Nc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 6270527 RCQMJPYOVWEIMO-UHFFFAOYSA-N 414.414 3.608 0 50 HHAA CCCCOc1ccccc1C(=O)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 6811009 MYQRSWGOMAXINE-IBGZPJMESA-N 419.518 3.834 0 50 HHAA COc1ccc(-n2cc(CN(C)C[C@@H]3COCCO3)c(-c3cccc(F)c3)n2)cc1 11661376 TUIFMNBMCWMSSX-JOCHJYFZSA-N 411.477 3.534 0 50 HHAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2Cc2ccc(Cl)s2)cc1 11910001 CITJYVVQWCDRPU-INIZCTEOSA-N 406.935 3.859 0 50 HHAA COc1cc(OC)c(OC)cc1CN1CC(=O)N(c2ccccc2SC)[C@H](C)C1 12244298 VEQFXAZJNJZCGQ-OAHLLOKOSA-N 416.543 3.672 0 50 HHAA O[C@@H](COCc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19720979 MSSZMIUMUQIRJI-AREMUKBSSA-N 416.565 3.971 0 50 HHAA O[C@H](COc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 20294435 MIEQTGGXHMZWBB-DEOSSOPVSA-N 402.538 3.834 0 50 HHAA COC(=O)[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCc2ccccc2C1 35900513 LHFPKCSLFHZBJD-GOSISDBHSA-N 407.297 3.922 0 50 HHAA Cc1cccc2nc(C(=O)N3CCC4(CC3)C[C@H](c3ccccc3)CN(C)C4)cn12 96136161 CCELZQFVLMHBPK-NRFANRHFSA-N 402.542 3.984 0 50 HHAA CC(C)c1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 101159891 VXZCURNTVHAFKN-SFHVURJKSA-N 400.475 3.953 0 50 HHAA CC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccc(Cl)s4)CC3)nn2)n1 169749790 ZWHFPAPMUIUSDS-UHFFFAOYSA-N 406.899 3.644 0 50 HHAA CC(C)c1noc(-c2cn([C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)nn2)n1 169777842 KCCQIBHLXRXODD-HNNXBMFYSA-N 400.870 3.582 0 50 HHAA COc1ccc(Cl)cc1C(=O)NCc1nnc2ccc(-c3ccc(F)cc3)nn12 169778513 NQTDBYUPITUXBT-UHFFFAOYSA-N 411.824 3.522 0 50 HHAA O=C(/C=C/c1ccco1)Nc1cnn(C[C@H]2CCCCN2C(=O)/C=C/c2ccco2)c1 170611342 MBRJTJLSZQEDCB-FWWGVRSRSA-N 420.469 3.816 0 50 HHAA NC(=O)[C@@H](Sc1nccc(C(F)(F)F)n1)c1ccc(Br)cc1F 170638479 LVJYMZRUAPRHPZ-JTQLQIEISA-N 410.190 3.716 0 50 HHAA O=C(NCc1ccccc1C(F)(F)F)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263616422 IOOUKDOMCNHVOA-QGZVFWFLSA-N 420.366 3.638 0 50 HHAA Cc1cccc(-c2cccc(CNC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)c2)c1 495248148 DQDPXNMLWOLSOB-RUZDIDTESA-N 413.477 3.647 0 50 HHAA CCC[C@@H](CO)N1CCN([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 1875254084 XTFIWXMSZUQSCA-CTNGQTDRSA-N 411.546 3.585 0 50 HHAA C[C@@]1(c2cccc(NC(=O)c3cc(Cl)c(Br)cn3)c2)COC(=O)N1 2325876006 IDVNHFDVTFIFTL-INIZCTEOSA-N 410.655 3.705 0 50 HHAA Cc1ccccc1CNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 839712 SGLXIBMDXRRZLB-UHFFFAOYSA-N 408.523 3.891 0 50 HHAA COc1ccc(CCNC(=O)COc2ccc(Br)c(C)c2)cc1OC 850431 FPFYEYCLAZGVBT-UHFFFAOYSA-N 408.292 3.512 0 50 HHAA biogenic CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)o1 955329 IMHOXJMULUGIHH-HXUWFJFHSA-N 406.442 3.632 0 50 HHAA COc1cc(NCc2cc(I)c(O)c(OC)c2)cc(OC)c1 1229383 GAEIKBRXOIYTQA-UHFFFAOYSA-N 415.227 3.635 0 50 HHAA CCc1ccccc1N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)CC1 2857778 HNKCKNZUSZDWBV-UHFFFAOYSA-N 402.560 3.892 0 50 HHAA COc1ccccc1NC(=S)N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl 2913323 UGHJRBACEPFLIQ-NSHDSACASA-N 412.770 3.840 0 50 HHAA COc1ccc(C(=O)NC[C@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)c(OC)c1 11872235 DHCACFWKUKVGQU-LJQANCHMSA-N 419.481 3.511 0 50 HHAA CCOc1ccc2nc(N3CCC[C@H](C(=O)NCc4ncccc4C)C3)nc(C)c2c1 11881422 CINPZZIHIYQNDS-SFHVURJKSA-N 419.529 3.573 0 50 HHAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN([C@@H]2CCSC2)CC1 12201263 JJVGDQNHFADZMV-MRXNPFEDSA-N 401.536 3.678 0 50 HHAA Cc1noc(C)c1CCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 12459021 NPTVWDRXMSYJCH-SFHVURJKSA-N 415.509 3.698 0 50 HHAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ccsc3)C2)c(OC)c1 14967249 SRINQQSCOGTNPO-INIZCTEOSA-N 416.543 3.714 0 50 HHAA O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 17090768 CDAQZPATSIGLSB-CABCVRRESA-N 416.543 3.905 0 50 HHAA Cn1ccnc1-c1cccc(NS(=O)(=O)c2cccc(Br)c2F)c1 225399206 BZXPNRBVVMULIE-UHFFFAOYSA-N 410.268 3.790 0 50 HHAA COC(=O)[C@H](NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(C)C 252502443 UQMYCQOKWIYTOK-HUUCEWRRSA-N 402.318 3.819 0 50 HHAA CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1ccccc1 253387469 OEUDITAJWLGFIL-DXWICKMPSA-N 414.505 3.943 0 50 HHAA O=C(NC[C@@H](O)c1cccc(Br)c1)c1c[nH]nc1-c1c(F)cccc1F 802315406 XIKDKZJSRYQQQG-OAHLLOKOSA-N 422.229 3.581 0 50 HHAA CN(Cc1coc(-c2cccc(C(F)(F)F)c2)n1)Cc1ncnn1CC(F)F 1875263266 DKVJDRVWMSETES-UHFFFAOYSA-N 401.339 3.849 0 50 HHAA COC[C@H](NC(=O)Nc1nnn(Cc2ccccc2F)c1C)c1ccc2[nH]ccc2c1 1875336501 GPGSDZFZCIKJCY-FQEVSTJZSA-N 422.464 3.764 0 50 HHAA COc1ccc(CN2CC[C@@H](Nc3ncc(C)c(-c4ccccc4F)n3)C2=O)cc1 2325703736 UWXFWCBLGNIDTC-HXUWFJFHSA-N 406.461 3.813 0 50 HHAA O=C(CCCCCCCCC(=O)N1[C@H]2CCC[C@H]1COC2)N1[C@H]2CCC[C@H]1COC2 2325737781 KRPAZSSPZWAHFL-CMOCDZPBSA-N 420.594 3.667 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc4ncccc4c3)CC1)OCC2 2356143957 DMPOWZYAEFOZJK-UHFFFAOYSA-N 418.493 3.956 0 50 HHAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)cc2)c1 909942 HHBMPCWQUPYHDM-GOSISDBHSA-N 401.850 3.624 0 50 HHAA CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1142389 VSQGKUGIMFMGMU-UHFFFAOYSA-N 400.544 3.905 0 50 HHAA COc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2[C@@H]1CCOC(C)(C)C1 5625263 UEPNIWSBMBAOKJ-SJKOYZFVSA-N 403.504 3.502 0 50 HHAA O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(-c2cnc3ccccc3n2)c1 6703848 BOFOZKHGEBNXPZ-UHFFFAOYSA-N 407.433 3.645 0 50 HHAA COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 9454508 VAAQXLRYAFXQPR-VGOFMYFVSA-N 421.814 3.508 0 50 HHAA Cc1ccc(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)o1 12054791 PRDWOIUOIQIZSD-XMMPIXPASA-N 420.557 3.917 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 12165977 ANPVMXFLHKFKMS-SANMLTNESA-N 415.537 3.907 0 50 HHAA Cn1cnnc1Sc1ccc(CN2CCC[C@@](CO)(CCc3ccccc3)C2)o1 12586589 UPNQFMNVZIGERK-JOCHJYFZSA-N 412.559 3.767 0 50 HHAA COc1ccc(CN2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)c(C)c1C 19838175 PESUMELBLDGGOS-QFIPXVFZSA-N 404.501 3.659 0 50 HHAA Cc1nn(CC(=O)N[C@H](C)c2cnn(C)c2C)c2nc(C3CC3)cc(C(F)(F)F)c12 20602442 BLHCTVXZUSGPSA-SNVBAGLBSA-N 420.439 3.555 0 50 HHAA Cn1c(SCC(=O)O)nnc1-c1ccc(NC(=O)c2ccccc2Cl)cc1 22242007 YTLSMQKMCNMAKK-UHFFFAOYSA-N 402.863 3.565 0 50 HHAA Cc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4F)CC3)n2)c1 67601930 CLCRRGKXPVPPLK-UHFFFAOYSA-N 408.477 3.713 0 50 HHAA Cc1ccc(OCC(=O)Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1C 100744535 DBWQXUDREUECPB-DODAUVCRSA-N 419.477 3.823 0 50 HHAA CC(=O)Nc1cccc2c1ccn2CC(=O)N[C@H](CC(C)C)c1nnc2ccccn12 223240928 FUPLMRRFZXLGCS-LJQANCHMSA-N 418.501 3.546 0 50 HHAA Cc1noc(C2CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c3ccccc3)CC2)n1 225522028 VLWSBPTXSYSKFF-QFIPXVFZSA-N 414.506 3.524 0 50 HHAA CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccncc2)CC1 252504462 BUYAETXBAMCSJK-DNVJHFABSA-N 407.558 3.888 0 50 HHAA C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C 252515763 NFTOQMQICJCJQN-MNRMEVMPSA-N 410.530 3.546 0 50 HHAA O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)C1=NO[C@@H](c2ccccc2)C1 261475620 ZODNLWJAMNZHFG-DNVCBOLYSA-N 401.413 3.501 0 50 HHAA CC1(C)C[C@H](C(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)CCO1 299770196 QFJSKZJYZRUYPF-CTNGQTDRSA-N 418.553 3.661 0 50 HHAA CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 302805308 LMYOJWBBFLKHFO-UHFFFAOYSA-N 420.557 3.714 0 50 HHAA C[C@H](C(=O)NCC1CCN(Cc2coc3ccccc3c2=O)CC1)c1ccccc1 822272710 YYBILESVLFYNTK-SFHVURJKSA-N 404.510 3.925 0 50 HHAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cccc(NC(=O)C(C)C)c2)n1 952970939 DXCHHCJOWNUZLJ-ZDUSSCGKSA-N 410.440 3.871 0 50 HHAA CCOCCOc1ccccc1C(=O)N(CCCOC)Cc1cccc(OC)c1 952971307 JJHZKPAFLYHVCK-UHFFFAOYSA-N 401.503 3.789 0 50 HHAA CCNC(=O)c1cc(NC(=O)CSc2ccccc2NC(C)=O)ccc1Cl 952986137 YOWFPAHVHABWPZ-UHFFFAOYSA-N 405.907 3.779 0 50 HHAA C[C@H](NC(=O)c1ccc(N2CCCC2)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 952986507 GHBLGADAJSNJTE-AWEZNQCLSA-N 406.935 3.835 0 50 HHAA Cc1cc(C)cc(CSCC(=O)N2CCC[C@H](CNC(=O)c3ccoc3)C2)c1 952991257 WCHUFPLZHXZLTN-GOSISDBHSA-N 400.544 3.798 0 50 HHAA CC(C)C(=O)N1CCC[C@H](CNc2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 1704326007 QUNFQGOUDLWYKV-CYBMUJFWSA-N 405.882 4.000 0 50 HHAA CC(C)(C)n1nc(C2CC2)cc1NC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 1857530493 VZOINDHUWMQAGU-CQSZACIVSA-N 402.930 3.964 0 50 HHAA Cc1nccc(CN2CCCC(=O)N3CCCC[C@@H]3CCc3cccc(c3)OCC2)n1 1857702436 BETXZLMISUINGG-HSZRJFAPSA-N 422.573 3.774 0 50 HHAA Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N(C)Cc1ccc(C(N)=O)cc1 1875252848 CQPUSLPYFDUTFC-UHFFFAOYSA-N 413.543 3.582 0 50 HHAA C[C@@H](Nc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)c1ccc(N2CCCC2=O)cc1 1875257622 YOYJXBQGEAWVBW-WIYYLYMNSA-N 420.557 3.684 0 50 HHAA Cc1ccccc1CCN(Cc1ncc[nH]1)C(=O)c1ccc2c(c1)SCC(=O)N2 1875260290 VHWWQLJLNMECEF-UHFFFAOYSA-N 406.511 3.647 0 50 HHAA Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1cccc(COC[C@H]2CCCO2)c1 2325725724 UYKXRQHSWLLWMD-HXUWFJFHSA-N 422.529 3.770 0 50 HHAA FC(F)(F)CN1CCN(c2ccc(NCc3noc4c3CSCC4)cc2)CC1 2325871940 AIRZXRUZWIMJAH-UHFFFAOYSA-N 412.481 3.760 0 50 HHAA COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc(F)c(Br)c1 815878 WOIUGBFTHBOCLE-UHFFFAOYSA-N 412.255 3.510 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C(=O)Nc2ccccc2C)c1C 1001945 KCECNKBFVFFQSE-HNNXBMFYSA-N 416.499 3.911 0 50 HHAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)n1 1052077 XHLAQHNAJRQGDU-UHFFFAOYSA-N 422.466 3.893 0 50 HHAA CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccccc1OC 2766885 KGZNDUBWGLPTFK-UHFFFAOYSA-N 408.248 3.686 0 50 HHAA O=C(OCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc(=O)[nH]c2ccccc12 2849845 NRZPFWKSZDEAQX-UHFFFAOYSA-N 419.458 3.718 0 50 HHAA Cc1nn(CCCC(=O)Nc2ccccc2F)c(C)c1I 4776622 SPQFFQJONJCLDM-UHFFFAOYSA-N 401.223 3.663 0 50 HHAA CC(=O)N1C(=O)[C@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c2ccccc21 5495315 LFXYWSULDJWCCX-WIOPSUGQSA-N 409.445 3.976 0 50 HHAA COc1cccc(-n2cc(CN(C)Cc3c[nH]nc3-c3ccc4c(c3)OCO4)cn2)c1 11664676 FCBVOUALJXUHKV-UHFFFAOYSA-N 417.469 3.632 0 50 HHAA CC[C@@H]1CN(CCNC(=O)CCCc2cccs2)Cc2cc(OC)ccc2O1 12056685 UHCJQINAAMXHIT-GOSISDBHSA-N 402.560 3.869 0 50 HHAA CC(=O)c1ccc(OCC(=O)N2CCC[C@@H]3CN(CCc4ccccc4)CC[C@@H]32)cc1 12245433 HABVNGWJOWCDQF-NOZRDPDXSA-N 420.553 3.824 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCCC[C@@H]3CCc3ccccn3)n2)cc1 12308613 SEXCPDLIPHGOMM-HXUWFJFHSA-N 406.486 3.906 0 50 HHAA COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2ccc(F)c(F)c2)CC1 12443401 RBYFXNLTCDMPIR-UHFFFAOYSA-N 416.468 3.909 0 50 HHAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)CC(F)(F)F)C2)cc(OC)c1 12612053 HPXDQGBSDQVTKH-CYBMUJFWSA-N 402.413 3.614 0 50 HHAA CC(C)CCN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 14533298 GWQJBARMQRAOCO-UHFFFAOYSA-N 420.557 3.927 0 50 HHAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C/C=C/c1ccco1)CC2 14733559 XGUOMFRBTAAIOW-WEVVVXLNSA-N 419.525 3.579 0 50 HHAA COc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1F 19792526 AJKCEZWBQMAQNA-UHFFFAOYSA-N 401.873 3.595 0 50 HHAA O=C(c1cc(-c2cncnc2)nc2ccc(F)cc12)N1CCC[C@H]1CN1CCCC1 63857098 PFXFOHBXKAISPU-SFHVURJKSA-N 405.477 3.531 0 50 HHAA Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 148996573 WIYUZYBFCWCCQJ-CHQQOIJLSA-N 414.505 3.573 0 50 HHAA in-vitro COc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(SC)cc5)no4)c3CO2)cc1 169769953 HKDAVZUIAJFOSM-GOSISDBHSA-N 421.482 3.997 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)COc4cccc(C)c4)C3)[nH]n2)cc1 169775340 UXUWXYXUFVQDBN-LJQANCHMSA-N 420.513 3.558 0 50 HHAA Cc1noc([C@H]2CCCN(C(=O)NCC3(c4ccccc4Cl)CCOCC3)C2)n1 170621987 LKMCDWFXIVDKEG-INIZCTEOSA-N 418.925 3.669 0 50 HHAA CCc1nc(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)no1 225606727 BJLMADNCWXVVNT-UHFFFAOYSA-N 401.069 3.502 0 50 HHAA C[C@H]1CCSCCN1c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 225633791 AQBYSIUWJSQQKJ-JTQLQIEISA-N 404.845 3.632 0 50 HHAA C[C@H]1CN(CCNC(=O)[C@H]2CCCc3c2[nH]c2ccccc32)Cc2ccccc2O1 243932325 BUYCTCTVLCYXEL-UWJYYQICSA-N 403.526 3.987 0 50 HHAA CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)c1cccc(-n2cccn2)n1 253431023 PZILRQHMEBISLO-UHFFFAOYSA-N 410.377 3.777 0 50 HHAA Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CCc1cncs1 498514933 GHJJRODDQVWUME-FQEVSTJZSA-N 410.543 3.537 0 50 HHAA Cc1cc(N2CCO[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc(CO)n1 1328584012 DIGQHAMHGLEBNI-CQSZACIVSA-N 421.341 3.893 0 50 HHAA Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cn(-c4ccccc4)nn3)c12 1776004551 LZILHTCFFCBLOO-UHFFFAOYSA-N 415.482 3.838 0 50 HHAA COc1cc2c3c(c1)[C@]1(CN(C)C[C@H]1C(=O)c1ccccc1)C(=O)N3C(C)(C)C=C2C 1857526111 MPUCDMGMQBYKQU-LVXARBLLSA-N 416.521 3.920 0 50 HHAA CCc1nc(N2CCCOc3cccc(c3)CC[C@H]3CCCCN3C(=O)C2)ncc1C 1857702946 JOGKXSUAAYAJQE-OAQYLSRUSA-N 422.573 3.950 0 50 HHAA OC[C@]1(Cc2ccc(F)cc2)CN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1O 1857721258 GZJAVPHGBKVCOR-PMACEKPBSA-N 415.402 3.772 0 50 HHAA Cc1c(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)nnn1Cc1ccncc1 1875255291 COFAGUPXIWVOIV-UHFFFAOYSA-N 419.514 3.924 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N=[S@](C)(=O)c2ccc(Br)cc2)cc1 1875373463 BPIMQTLYLJTAJF-RUZDIDTESA-N 421.316 3.895 0 50 HHAA CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1ccc2oc(O)nc2c1 2325861230 JZWRITDHRYLVKZ-ADLMAVQZSA-N 419.275 3.731 0 50 HHAA CCc1nc(O)ccc1C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356137317 JWVAJGKJYIBXCJ-VWLOTQADSA-N 414.509 3.927 0 50 HHAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3cc(C)n(C(F)F)n3)C2=O)cc1 2356158459 KZORIPDMMUMHJB-OAQYLSRUSA-N 402.445 3.697 0 50 HHAA CCOc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 798468 QGYFDTRJVHZQRS-UHFFFAOYSA-N 422.934 3.556 0 50 HHAA Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(CCc4ccccc4)s3)CC2=O)cc1 1049117 CWBZFLCMYIWCKT-KRWDZBQOSA-N 406.511 3.623 0 50 HHAA O=C1Nc2ccc(S(=O)(=O)Nc3cccc(Br)c3)c3cccc1c23 1203584 IDBGBPAAVYPDNZ-UHFFFAOYSA-N 403.257 3.969 0 50 HHAA COc1ccccc1/C=C/[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SCCC(=O)N21 2508879 XECHECYDEDFUOZ-SCOAYWHSSA-N 400.500 3.638 0 50 HHAA Cc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)Nc1cccc(C)c1C 6139025 FLXJNTMPKXUARP-UHFFFAOYSA-N 409.511 3.738 0 50 HHAA CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2cc1OS(C)(=O)=O 6296792 GLDRFRFIJAIFCN-UHFFFAOYSA-N 412.467 3.556 0 50 HHAA biogenic O=C(NC[C@H]1CCC2(CCN(C(=O)c3cccc(F)c3F)CC2)O1)C1CCCCC1 11787549 BEUQGRVNGJZYNU-QGZVFWFLSA-N 420.500 3.815 0 50 HHAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)Cn1cc2ccccc2n1 11838262 YDRJCSKEGDQOJG-LJQANCHMSA-N 408.521 3.589 0 50 HHAA O=C(CCc1nnc(CCCCc2ccccc2)o1)NCCCOc1cccnc1 11873057 INAQGWSVHFPLIF-UHFFFAOYSA-N 408.502 3.548 0 50 HHAA CC(=O)c1ccc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)cc1 11969436 MBSWLWDWDSSFIC-FQEVSTJZSA-N 419.456 3.836 0 50 HHAA Cc1nn(C)c(Cl)c1CN1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 12590574 NNTAIFPQXMBXNX-OAHLLOKOSA-N 424.923 3.969 0 50 HHAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 12648366 KIHDUTMNOVGCPQ-SJORKVTESA-N 406.479 3.546 0 50 HHAA Cc1cc(C(=O)N(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)no1 12702330 RQHOMEPZCOTIAQ-FQEVSTJZSA-N 415.509 3.656 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(F)c3)n2)ccc1C 16624885 BKGZPLQRHNZRMF-AWEZNQCLSA-N 408.433 3.516 0 50 HHAA Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(N)=O)cc1C 17081991 JWLSNJKUNIOSFV-GJZGRUSLSA-N 400.500 3.960 0 50 HHAA Clc1cccc(N2CCN([C@@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)c1 19789879 YQTGHPBCPGRIDD-OAQYLSRUSA-N 413.949 3.855 0 50 HHAA CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1 67601944 DFCSGQLGSPXDQK-UHFFFAOYSA-N 408.477 3.746 0 50 HHAA CCC1(C)CCN(C(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 82114506 YEPRBWNDKMSVIO-QFIPXVFZSA-N 412.622 3.797 0 50 HHAA CCOc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)CC2)cc1 100769753 SFWYBYVIERABKU-YCKHJCPCSA-N 410.514 3.614 0 50 HHAA CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccc(F)c(Cl)c3)C2)c1 170618957 FVSFIYZSDSQTCG-IBGZPJMESA-N 423.897 3.938 0 50 HHAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]21 239121127 JIRCKUQMQFWACY-XOUADPBQSA-N 405.235 3.549 0 50 HHAA C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[C@H](O)CO[C@H]1CCCc3ccccc31)C2=O 245266943 KUPSUZJFKVBUJG-NGWCSTFBSA-N 414.546 3.578 0 50 HHAA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1ccnc3ccccc13)CC(=O)O2 253399237 CRVXAJCGIKXFKH-HNNXBMFYSA-N 415.401 3.999 0 50 HHAA biogenic O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1c[nH]c(C(=O)N2CCCC2)c1 477882722 TZVDEQWGVWSSQV-QGZVFWFLSA-N 403.429 3.660 0 50 HHAA CN1C(=O)C[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c2ccccc21 1317963388 XKKJLNSHLLRARS-IBGZPJMESA-N 412.917 3.655 0 50 HHAA Cc1nc2ccccc2n1CCC(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857672413 CDXXTFYERFEQGW-ZWSUVBHBSA-N 403.526 3.720 0 50 HHAA O=C(Cc1ccc2nc(O)[nH]c2c1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 1875256771 KQXZXMURGNMJDL-QFIPXVFZSA-N 401.466 3.573 0 50 HHAA COCc1n[nH]c(NC(=O)[C@H]2CC(=O)OC23CCCC3)c1-c1ccc(Cl)cc1 2100483246 FDKURTFTXZFELR-CQSZACIVSA-N 403.866 3.691 0 50 HHAA COc1cc(-c2ccc(NC(=O)NC3CC3)c(OC)c2)ccc1NC(=O)NC1CC1 640777 XGOGMONLNQBDKN-UHFFFAOYSA-N 410.474 3.939 0 50 HHAA COC(=O)c1ccc(O[C@@H](C(=O)Nc2cc(N)ccc2Cl)C(=O)C(C)(C)C)cc1 642123 AJPDYXHATAXPGQ-QGZVFWFLSA-N 418.877 3.710 0 50 HHAA Cc1ccccc1CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 678153 HXWMPECGFKIUCO-UHFFFAOYSA-N 408.523 3.891 0 50 HHAA C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 2906021 LNJVUKHEFHNVDJ-LJQANCHMSA-N 408.523 3.755 0 50 HHAA CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2Br)c1 2978506 FFTNJYTTYFTGBG-UHFFFAOYSA-N 406.305 3.924 0 50 HHAA CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 4704850 UTADYHCCJPUIDR-UHFFFAOYSA-N 412.486 3.593 0 50 HHAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2ccc(COC)o2)C1 11838341 RBYWWTQSWFIVHG-QHCPKHFHSA-N 401.503 3.823 0 50 HHAA CCCCNC(=O)c1cn(C(C)C)cc(C(=O)N2CCCC[C@@H]2c2cccnc2)c1=O 12134335 SUCVFHPEQAOGMG-OAQYLSRUSA-N 424.545 3.722 0 50 HHAA COCC(=O)NCc1nnc(SCc2ccccc2Cl)n1Cc1ccccc1 12150052 YUNXUJULEPQYHM-UHFFFAOYSA-N 416.934 3.535 0 50 HHAA CCOc1ccc2nc(N3CCC[C@@H](C(=O)N(C)Cc4ccccn4)C3)nc(C)c2c1 12152962 JTTDRRVJLUJGOX-GOSISDBHSA-N 419.529 3.607 0 50 HHAA COC(=O)CCCNC(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 12447052 SNJDYLKLXYTDIM-UHFFFAOYSA-N 411.405 3.765 0 50 HHAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)c2ccsc2)C1 12582390 UUEVGVGVFXYAFB-IBGZPJMESA-N 415.603 3.673 0 50 HHAA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cn(C/C=C/c2ccccc2)nn1 12705380 DNSCXIHZBJSGPH-MURVUTHMSA-N 415.541 3.949 0 50 HHAA CC(C)CSc1nnc(CCNC(=O)C2(c3ccc(Cl)cc3)CCC2)n1C 15005403 UNANVWISSPDRNH-UHFFFAOYSA-N 406.983 3.997 0 50 HHAA Cc1cnccc1CN(C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12 15064885 VSMQPFGIPWGJHK-UHFFFAOYSA-N 413.525 3.942 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 19956655 YKAABNBEPBHASU-HXUWFJFHSA-N 423.557 3.546 0 50 HHAA Clc1ncnc2c1c(I)cn2C1CCC2(CC1)OCCO2 116191500 IJQRMNNJDXVVMM-UHFFFAOYSA-N 419.650 3.548 0 50 HHAA Cc1ccc2cc(C(=O)N[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)[nH]c2c1 170626790 KVEWAARIZGBYOE-MRXNPFEDSA-N 417.387 3.910 0 50 HHAA CN(C)C(=O)N1CCC(C(=O)Nc2cccc(CC[C@@H](O)c3ccccc3)c2)CC1 170658468 VIPXDZYIWNZQHU-JOCHJYFZSA-N 409.530 3.685 0 50 HHAA CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNCCCCc2cccc(C(F)(F)F)c2)C1 239359522 AEKXSPKYFKQMGD-SJLPKXTDSA-N 416.484 3.846 0 50 HHAA COc1ccc(-c2ccnc(C3CCN(C(=O)[C@H]4C[C@@H]5CCCCN5C4)CC3)n2)cc1 952892069 DRXJOMLPUKSDAA-SFTDATJTSA-N 420.557 3.733 0 50 HHAA CCCCCc1nc(C2CCN(c3nc4nc(C)ccc4o3)CC2)n(C[C@H](C)O)n1 1857680505 KDENFLSPGMXYKN-INIZCTEOSA-N 412.538 3.620 0 50 HHAA CCOc1ccc2nc(N3C[C@@H](C(=O)NCCc4ccccc4C)CC3=O)sc2c1 1857701904 XTLUQRQSQJPKGO-KRWDZBQOSA-N 423.538 3.715 0 50 HHAA CC1(C)COc2c(CN3C[C@H](O)[C@]4(C3)[C@H](c3ccccc3)[C@H]4CO)cc(Cl)cc21 1857711983 BJNIHLBEPAXUOM-OOICKAIWSA-N 413.945 3.579 0 50 HHAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC2CCCCC2)cc(Cl)c1O 715150 YHUDASAAQOFISO-KRWDZBQOSA-N 408.882 3.806 0 50 HHAA Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 813903 KOIQBYWJXAINHF-UHFFFAOYSA-N 408.526 3.658 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccccc2F)cc1 869442 FZJAQTHBAUMZOK-UHFFFAOYSA-N 404.507 3.732 0 50 HHAA COc1ccc(-n2nnnc2SCC(=O)Nc2cc(Cl)ccc2Cl)cc1 882817 HXKDKQZOLZGYJE-UHFFFAOYSA-N 410.286 3.709 0 50 HHAA CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(I)c1 1051408 LYLDNOBUNYKYTD-UHFFFAOYSA-N 417.268 3.663 0 50 HHAA COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc(Cl)c1OC 1131150 PAYSTAHOAHHSTI-KRWDZBQOSA-N 417.918 3.789 0 50 HHAA COc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 1137254 VPXBQYIQTPNERG-UHFFFAOYSA-N 414.458 3.668 0 50 HHAA COc1cc(Br)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1OC 1163545 AJOUFFQWUZHCJR-NTEUORMPSA-N 403.232 3.564 0 50 HHAA COc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 1173262 SWJGGLIDPZECPL-GFCCVEGCSA-N 416.421 3.507 0 50 HHAA CCn1cc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)c(C)n1 2804854 ZVCARQPJQDGKSS-UHFFFAOYSA-N 414.318 3.564 0 50 HHAA CCOC(=O)c1sc(NC(=S)NC(=O)c2oc3ccccc3c2C)nc1C 2998647 IZAKLQAITOIXCZ-UHFFFAOYSA-N 403.485 3.810 0 50 HHAA Cc1ccccc1-n1c(SCC(=O)O)nc2sc3c(c2c1=O)CC(C)(C)OC3 4837263 ZYPWZZISSXYBOT-UHFFFAOYSA-N 416.524 3.784 0 50 HHAA CCOC(=O)C[C@@H]1CCCCN1Cc1nc(-c2cccc(OC)c2OC)oc1C 11817604 VMAFMSMIALRPPG-INIZCTEOSA-N 402.491 3.975 0 50 HHAA O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)c1cccc(Cl)c1)CC2 12154276 QGSHMGGZSYDHBT-HXUWFJFHSA-N 411.933 3.726 0 50 HHAA O=C1NC(=O)[C@@](CCc2ccccc2)(C2CCN(Cc3cccc(Cl)c3)CC2)N1 12213179 RHLCGQAPFPPPAE-HSZRJFAPSA-N 411.933 3.763 0 50 HHAA Cc1ccc(CN(C)Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)o1 12302147 FPIBIHRASCEFGI-UHFFFAOYSA-N 415.559 3.895 0 50 HHAA O=C(Nc1cccc(Br)c1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 12649383 OSPUVRBUAGRODN-BAUKFBFWSA-N 401.308 3.975 0 50 HHAA O=C(CCC1CCN(C(=O)CCOc2ccccc2)CC1)NCc1ccc(F)cc1 12752049 XEYWGSXHTJRDEW-UHFFFAOYSA-N 412.505 3.930 0 50 HHAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cccc3nonc23)C1 14951053 AKVZWAUMWGIDDZ-HSZRJFAPSA-N 409.486 3.619 0 50 HHAA O=C1CC[C@@](CCC(=O)N2CCC[C@@H](OCc3ccccc3)C2)(Cc2ccccc2)N1 14954379 BEZBFBNTRQUJJB-ZEQKJWHPSA-N 420.553 3.866 0 50 HHAA COc1ccc(CN2CCCCCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 15062379 XFXPPJZKEIHVSW-HSZRJFAPSA-N 412.574 3.943 0 50 HHAA COCc1ccc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)o1 15064536 PCFDQPVKPQNEJW-UHFFFAOYSA-N 404.514 3.694 0 50 HHAA Cc1ccc2c(c1)c1nnc(SCCN3CCOCC3)nc1n2Cc1ccccc1 20419297 HSBWVMJJBMSUHY-UHFFFAOYSA-N 419.554 3.761 0 50 HHAA Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccc(F)cc2I)c1 225772118 COZBEMGVZPQALI-INIZCTEOSA-N 413.230 3.511 0 50 HHAA C[C@@H](C(=O)N1CCCC1)n1c(=O)c(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)nc2ccccc21 239672827 BVMWBOJXYQFNFH-ATLLOTDBSA-N 422.573 3.985 0 50 HHAA CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccc(F)cc1 248223416 INFCNLJSOSXEKD-XSDIEEQYSA-N 418.468 3.692 0 50 HHAA COc1ccccc1N1CC[C@H](C)N(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1 252586757 SGRLJARPOLPRDR-IHPCNDPISA-N 422.525 3.697 0 50 HHAA O=C(COCc1ccccc1Cl)N1CCC[C@H](c2[nH]ncc2CN2CCCC2)C1 253419185 AUDRCXBTZQKOOB-KRWDZBQOSA-N 416.953 3.582 0 50 HHAA NC(=O)c1ccc(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)nc1Cl 253430808 OIUVKVZUHQFQAR-UHFFFAOYSA-N 403.225 3.927 0 50 HHAA O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263619687 ZZMSFCBNQJHBQE-WIYYLYMNSA-N 415.541 3.628 0 50 HHAA C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(Cc2ccn(-c3ccccc3F)n2)C1=O 437615379 REQZLAXJTZJFTH-FQEVSTJZSA-N 416.815 3.771 0 50 HHAA CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cs1 1292393941 DFOGGYJAVVRYTC-DGXTUMSLSA-N 405.564 3.765 0 50 HHAA CCCn1ncc(C)c1NC(=O)c1cc(=O)c2c(OC)c3ccoc3c(OC)c2o1 1506399697 CHQVKZOJMPTGRD-UHFFFAOYSA-N 411.414 3.724 0 50 HHAA CCc1oc(C(=O)N2CCCN(Cc3cccs3)CC2)cc1CN1CCCC1 1506423840 GCDDJVZEFMFFPA-UHFFFAOYSA-N 401.576 3.847 0 50 HHAA COc1ccc(-n2nc(C(=O)N3CCC[C@H](C4(O)CC4)C3)cc2-c2ccccc2)cc1 1772816747 UGCRINHYGKXIPT-IBGZPJMESA-N 417.509 3.925 0 50 HHAA O=C1NCCc2ccc(NC(=O)N3CCC[C@@H](c4ncc(-c5ccccc5)[nH]4)C3)cc21 2325708154 CVGYLLXLZZIVJI-GOSISDBHSA-N 415.497 3.774 0 50 HHAA CCC(=O)N(c1nnc(S[C@@H](C)C(=O)c2ccc(OC)cc2OC)s1)C1CC1 2325717146 PGICLBMQUDGLFL-NSHDSACASA-N 421.544 3.824 0 50 HHAA Cc1nccn1Cc1cccc(-c2noc(-c3csc(-c4cnn(C)c4)n3)n2)c1 2325736144 XQFUECXGOHBIIV-UHFFFAOYSA-N 403.471 3.814 0 50 HHAA CCO[C@H]1C[C@H]1C(=O)NC1(C(=O)Nc2ccc(Br)cc2)CCCCC1 2325824156 RKJFRKJDXWJVAO-CVEARBPZSA-N 409.324 3.632 0 50 HHAA CC(C)(C)[C@@H](O)c1cn(CCCCCNC(=O)C(F)(F)/C=C/c2ccccc2)nn1 2325870594 GALJAADDGCZGFK-HYSAVQALSA-N 420.504 3.993 0 50 HHAA C[C@H](COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)CC(F)F 2325875418 RAUPOFGPBRBPJD-KSSFIOAISA-N 401.409 3.728 0 50 HHAA Cc1cccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2cccc(F)c2)n1 2356141866 SWUKQMSXKPIHDQ-FUKQBSRTSA-N 421.516 3.613 0 50 HHAA COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(Cl)cc1Cl 644528 LMJGKRQESKFVHL-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 644582 SFQMFASERHKRII-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA COc1cc(CN2C(=S)NC3(CCCCC3)[C@@H]3CCCC[C@]32O)cc(OC)c1 783526 SZBFRSOCGUPPTM-UGKGYDQZSA-N 404.576 3.976 0 50 HHAA COc1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl 881768 KTKMILNDPPBUEK-UHFFFAOYSA-N 410.879 3.501 0 50 HHAA Cc1ccc(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)cc1 972748 PTHFXCLNLUOVBY-IBGZPJMESA-N 408.523 3.930 0 50 HHAA Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1181796 VRKGVHWNZJVWOW-UHFFFAOYSA-N 408.523 3.867 0 50 HHAA Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1 2444853 KSFFOHBRTSJYRY-UHFFFAOYSA-N 403.305 3.975 0 50 HHAA COc1ccc(N2C(=O)c3ccc(-c4nc5ccc(C)cc5c(=O)o4)cc3C2=O)cc1 3146591 WDKVOOODOPJQQL-UHFFFAOYSA-N 412.401 3.973 0 50 HHAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 4820971 AWOAFAXLVFCJHV-WOJBJXKFSA-N 404.466 3.885 0 50 HHAA CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)CC1 4832886 NSSFFHHZKQSXEJ-UHFFFAOYSA-N 419.481 3.825 0 50 HHAA COC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1 6181839 FECOASBSPQAMFP-UHFFFAOYSA-N 404.422 3.986 0 50 HHAA COc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3ccc(Cl)s3)c2C)cc1 11840110 UIUUPIBEOADAJT-NSHDSACASA-N 411.936 3.944 0 50 HHAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)Cc2n[nH]c3ccccc23)C1 12316958 IMIHFYMDCXYEFP-LJQANCHMSA-N 420.557 3.527 0 50 HHAA COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2cc4ccccc4o2)O3)nn1 12333605 QJMLTCHWGPXTSK-QGZVFWFLSA-N 401.422 3.632 0 50 HHAA Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1CCc1c[nH]c2ccc(F)cc12 12410047 QJDOHJAQWDKNPA-UHFFFAOYSA-N 402.429 3.652 0 50 HHAA O=C(NC1Cc2ccccc2C1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12589925 TWOOKOSNFYCIOP-SFHVURJKSA-N 416.443 3.728 0 50 HHAA O=C(CCCc1ccccc1)NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 14990572 NFIPHPUBYLSERI-QHCPKHFHSA-N 407.558 3.734 0 50 HHAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](N4CCN(c5ccccc5C)CC4)C3)c2c1 55090755 PTSUEFBWPBOWQO-HXUWFJFHSA-N 417.557 3.607 0 50 HHAA COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4ccc(F)c(Cl)c4)C3)[nH]n2)cc1 169754298 CJGXGMLSTQMKAJ-OAHLLOKOSA-N 414.868 3.887 0 50 HHAA COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2c[nH]nc2C)c1 170594246 XZASHXZIGRGYTO-UHFFFAOYSA-N 401.470 3.569 0 50 HHAA Cc1cc2c(=O)[nH]c([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3)nc2s1 170596415 KLBMDKVKBLAZIP-SNVBAGLBSA-N 404.289 3.576 0 50 HHAA Cc1ccc(Br)c2c1C(C)(C)CN2S(=O)(=O)c1ncn(C)c1Cl 225385928 UAXHSWDBUULXCV-UHFFFAOYSA-N 418.744 3.631 0 50 HHAA O=C(O)/C=C/c1cccc(NC(=S)NC(=O)c2ccc(Br)cc2)c1 226323141 RGLRTDCLXJQYTK-RUDMXATFSA-N 405.273 3.674 0 50 HHAA CCC(=O)N(c1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1)C1CC1 252444258 DFYLIFYBBXMPQG-KYEXWDHISA-N 410.609 3.865 0 50 HHAA COCCn1c([C@@H](C)NC(=O)c2cccc(Nc3ncccn3)c2)nc2ccccc21 252485458 GWAOCNKDPOZLNX-MRXNPFEDSA-N 416.485 3.707 0 50 HHAA Cn1cc(C(=N)O)c([C@@H]2CCCN(C(=O)Nc3ccc(-c4nccs4)cc3)C2)n1 328604443 JWAAEZINPQKMOU-CQSZACIVSA-N 410.503 3.838 0 50 HHAA COc1ccccc1-n1cc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)cn1 670460699 TVHJZWRCOCQUOJ-QHCPKHFHSA-N 402.542 3.556 0 50 HHAA CC[C@](N)(C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc(Cl)c1 952880293 NNVJNUUNQIYDTL-VTJXTGGHSA-N 402.926 3.551 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1 952969693 MVUDAXIOURJXOT-UHFFFAOYSA-N 405.546 3.690 0 50 HHAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N[C@H](C)Cc1cccnc1 1506400014 SFSATMLONGOCEA-SNVBAGLBSA-N 415.393 3.566 0 50 HHAA CCCCc1ncc(CN2C[C@@H]3CN(Cc4cccc(-n5cccn5)c4)CC[C@@H]32)[nH]1 1800414548 SVOVKYDTSKSSAQ-REWPJTCUSA-N 404.562 3.644 0 50 HHAA CC(C)c1ccoc1C(=O)N1CCC[C@@H](NC(=O)c2cnn3cccc(Cl)c23)C1 2325829078 ZSKFCIPHTHCMRD-CQSZACIVSA-N 414.893 3.739 0 50 HHAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3ccc4nccnc4c3)C2=O)cc1 2356165638 MDHUDFOUFXYXGE-XMMPIXPASA-N 400.482 3.740 0 50 HHAA CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 625704 YBUVCMGKGINWPF-UHFFFAOYSA-N 400.525 3.981 0 50 HHAA Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c(C)c1 664063 ZQZLEFKVQSKWEI-UHFFFAOYSA-N 416.543 3.932 0 50 HHAA O=C(COC(=O)c1ccc2ccccc2n1)c1cccc(I)c1 1157013 LWQCLVJMWGUHII-UHFFFAOYSA-N 417.202 3.879 0 50 HHAA CC(C)C[C@H](NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12)C(N)=O 12298196 QHNIFHZMTLEFPE-ZDUSSCGKSA-N 424.448 3.711 0 50 HHAA CN(Cc1ccc2nccnc2c1)C(=O)c1cc(COc2ccc(F)cc2F)on1 12716543 XFLKWGVJZVDTMI-UHFFFAOYSA-N 410.380 3.747 0 50 HHAA CCCCCCn1c(SCc2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C 13584494 UIGBYCIDIHVBCO-UHFFFAOYSA-N 400.548 3.615 0 50 HHAA Cc1nn(C)cc1CN(C)C(=O)c1noc(C)c1COc1cccc(C(F)(F)F)c1 13961068 YPZPXDCJBPONFC-UHFFFAOYSA-N 422.407 3.895 0 50 HHAA CC(=O)Nc1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1 14966382 SFJSLFXJRHGTPO-UHFFFAOYSA-N 421.541 3.924 0 50 HHAA Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H](C(=O)c4cccnc4)C3)o2)s1 20777190 AYSLPQFKKWIGPC-MRXNPFEDSA-N 410.499 3.556 0 50 HHAA C[C@H](c1ccccn1)N(C)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 55211388 SPILOPOZGGGDRQ-GOSISDBHSA-N 412.559 3.507 0 50 HHAA O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)Nc1cc(F)ccc1F 67614274 MDAVFHGJERRBAX-UHFFFAOYSA-N 405.404 3.904 0 50 HHAA COc1cc(CN2CCN(Cc3cccc4ccccc34)C[C@H]2CCO)cc(OC)c1 104347374 ZBLTUBSRCCPCIJ-HSZRJFAPSA-N 420.553 3.926 0 50 HHAA CC(C)CS(=O)(=O)c1ncc(CN2C[C@H]3CCC[C@@H]2C3)n1Cc1ccccc1 138734671 OUPBVFYLDDAQNS-VQTJNVASSA-N 401.576 3.736 0 50 HHAA CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(Br)cc2N)[C@H]2CC[C@@H]1C2 141244117 XETMMGXIMOZVQV-NVBFEUDRSA-N 410.312 3.758 0 50 HHAA Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(Br)c12 144306025 DLXYYJDQLZHBNU-ZDUSSCGKSA-N 416.279 3.548 0 50 HHAA Cn1c(CNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)nc2ccc(F)cc21 170596472 ULKOIZWDIUSJMM-UHFFFAOYSA-N 424.863 3.506 0 50 HHAA Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 212373586 LBFYQISQYCGDDW-UHFFFAOYSA-N 421.932 3.909 0 50 HHAA in-vitro COc1cc(CCC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cc(OC)c1 225757507 TULBAOXDVWOPRP-UHFFFAOYSA-N 412.505 3.829 0 50 HHAA Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@](C)(CN)C3CC3)cc12 237929496 GBYPSHXGKGLZJI-FQEVSTJZSA-N 402.951 3.965 0 50 HHAA CSCC[C@@H](NC(=O)c1sc2ncnc(O)c2c1C)c1nc2ccccc2[nH]1 252552019 ULOYRHDBVKZUIW-CYBMUJFWSA-N 413.528 3.806 0 50 HHAA C[C@@H](CCN(C)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@@]12C 253609934 HBDQZJAFAVGPSS-ATMIPSSFSA-N 407.639 3.536 0 50 HHAA C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CC2CCC(c3ccccc3)CC2)C1=O 436048090 JIHNQFRJXALEHW-QEAWBRDWSA-N 405.498 3.527 0 50 HHAA COc1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)C3CCCC3)cc1)C[C@@H](C)O2 460497648 CTCLZSMRCJFPRG-OAHLLOKOSA-N 415.511 3.839 0 50 HHAA CC(C)c1nn(C)c2sc(C(=O)N[C@@H]3CCN(c4ccccc4Cl)C3=O)cc12 463833020 ZHZKDFOTFOWCGG-CQSZACIVSA-N 416.934 3.947 0 50 HHAA CC(C)c1ccc(CN2CCC3(CC2)OCC[C@@](C)(NC(=O)C2CCC2)[C@@H]3O)cc1 1772705788 NHHYUGZUUMMDHE-BJKOFHAPSA-N 414.590 3.601 0 50 HHAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)c1C 1088123 RCBKTSYZYLPKRP-OALUTQOASA-N 411.483 3.834 0 50 HHAA COc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1Cl 1144203 HIOCCOKFGYYQTC-UHFFFAOYSA-N 410.923 3.679 0 50 HHAA CCc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697677 AOKGKHVJSNXREX-UHFFFAOYSA-N 403.490 3.532 0 50 HHAA CN(C[C@@H](O)COc1cccc(CNCCCc2cccnc2)c1)C1CCCCC1 12436101 JSOPTIJBWGQCIF-XMMPIXPASA-N 411.590 3.808 0 50 HHAA CSc1ncc(CN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 12573361 AYPSIECBRDGFMD-OAHLLOKOSA-N 420.529 3.785 0 50 HHAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cc(C(C)C)nn2C)C1 14962187 DDQMEILYBVEZBR-IBGZPJMESA-N 412.578 3.579 0 50 HHAA COC(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1C 16426685 VGBDRJLUXPBUBQ-UHFFFAOYSA-N 424.478 3.835 0 50 HHAA C[C@@H](c1ccncn1)N(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 55211715 AIJYFKMQGTXXBQ-INIZCTEOSA-N 412.563 3.785 0 50 HHAA CCc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)cc1 72140585 CBTLCLWBBHVHKJ-UHFFFAOYSA-N 417.517 3.840 0 50 HHAA COc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC1CCN(C(C)=O)CC1 76929844 HPMHPKQYLWEBHN-OAHLLOKOSA-N 414.477 3.715 0 50 HHAA Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1 118073503 MUGXRYIUWFITCP-PGRDOPGGSA-N 410.424 3.742 0 50 HHAA investigational Cn1c(NS(=O)(=O)c2ccccc2OC(F)(F)F)nc2cc(Cl)ccc21 170622850 BHYDLXNVVPDWGH-UHFFFAOYSA-N 405.785 3.926 0 50 HHAA Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1C 239231237 VENHFECUHQOIBW-PXVQWCDCSA-N 416.521 3.884 0 50 HHAA CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1ccccc1 252430682 DGGHMAFBVJJZQE-CWBXHPNXSA-N 414.505 3.945 0 50 HHAA O=C(c1cc2ccccc2[nH]1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2=O)C1 426387145 UVMKQIAUKABVPG-VWLOTQADSA-N 401.510 3.865 0 50 HHAA Cn1cc(-c2nnc(N3CCCOCC3)n2CCc2ccccc2)c2ccccc21 463107835 NQGVKEPSGNFQKI-UHFFFAOYSA-N 401.514 3.906 0 50 HHAA O=C1CCc2cc(C(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)c(F)cc2N1 487606547 MJEPDBZEBDVDRU-SFHVURJKSA-N 406.816 3.717 0 50 HHAA O=C(NCCNC(=O)[C@H](c1ccc(F)cc1)N1CCCCC1)c1ccccc1Cl 952987478 IBIGOZYDEHXCNY-FQEVSTJZSA-N 417.912 3.552 0 50 HHAA COc1cc(-c2onc(N(C)C)c2C(=O)NCCSC(F)(F)F)ccc1F 1704314331 YFNONRXHQDFGRE-UHFFFAOYSA-N 407.389 3.538 0 50 HHAA COCC(=O)N1C[C@@H]2CN(Cc3ccc(Cl)s3)C[C@]2(CCc2ccccc2)C1 1772812579 LFGPWUZICAVTTL-PGRDOPGGSA-N 418.990 3.941 0 50 HHAA CC(=O)NCc1cccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)c1 1875263661 RCYODISFTSGRNN-GASCZTMLSA-N 400.548 3.509 0 50 HHAA COc1ccc(NC2(C(=O)N3CCC4(CC3)C[C@](C)(O)CCO4)CCCCC2)cc1 2356157423 KCLKLWHBYCCGLR-JOCHJYFZSA-N 416.562 3.733 0 50 HHAA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccccc2)NC(=S)N1 725830 PTCMKXRZKWPNTE-MRXNPFEDSA-N 402.317 3.881 0 50 HHAA O=C(c1cccc(F)c1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 779600 HZEMZJZBXOLPIC-UHFFFAOYSA-N 402.469 3.942 0 50 HHAA CCC(=O)c1cc(F)c(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C 916759 WPKMTGIDVHYDHC-UHFFFAOYSA-N 404.507 3.546 0 50 HHAA Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 983535 ISEQHLLEFVFSAR-UHFFFAOYSA-N 422.934 3.887 0 50 HHAA COC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 1118221 NKJORAVKLJHUEU-UHFFFAOYSA-N 424.478 3.551 0 50 HHAA CON(C)C(=O)/C=C/c1cn(S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc12 5724747 WRSCZWCOYSNPOW-ZHACJKMWSA-N 412.511 3.837 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)CCn4cncn4)C3)c2)c1 11841374 TWSUWZNELLMPHD-OAQYLSRUSA-N 417.513 3.521 0 50 HHAA CN(C(=O)c1cnn(-c2ccccc2)c1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 11999786 OETAEOSXABOKHQ-QHCPKHFHSA-N 400.526 3.576 0 50 HHAA COc1ccccc1-n1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c(C)cc(C)nc21 12446467 HHKRHCRUTBWGPG-UHFFFAOYSA-N 421.884 3.875 0 50 HHAA COc1ccc(-c2cc3nc(C)cc(Nc4ccc(C(N)=O)cc4)n3n2)cc1OC 15670901 GFZMSGYDBUBEID-UHFFFAOYSA-N 403.442 3.564 0 50 HHAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1nc(-c2ccncc2)cs1 71283273 NHKVYJVKZARGHK-UHFFFAOYSA-N 423.885 3.721 0 50 HHAA CCCn1c(C)c(CC(=O)N(CC)Cc2noc(C)n2)c2c1CC(C)(C)CC2=O 95501533 DMNZHWIIGQTTNN-UHFFFAOYSA-N 400.523 3.644 0 50 HHAA CC(C)(C)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 169817542 NIWSUKGVJDHGAM-UHFFFAOYSA-N 407.145 3.957 0 50 HHAA O=C(OC[C@H]1CCCO1)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1 244866446 VWJCKJXYRBQCHE-ZACQAIPSSA-N 408.292 3.692 0 50 HHAA C[C@H]1C(=O)Nc2cc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)ccc2N1C 426023237 SSJHVDOILQLXMP-HNNXBMFYSA-N 400.482 3.874 0 50 HHAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(OCc4ccccn4)CC3)cc2)n1 825286252 WDONSLIVKPAHMZ-UHFFFAOYSA-N 404.514 3.765 0 50 HHAA CCCCOCCn1c(-c2c(C)noc2C)cs/c1=N\c1ccc(C(N)=O)cc1 1875261992 CNVBDVSMAZNGOU-LNVKXUELSA-N 414.531 3.969 0 50 HHAA Cn1ncc(C(=O)NC[C@H]2CCCc3ccc(C(=O)O)cc32)c1Cc1ccccc1 2325825431 PSXSOBZMXAJLOQ-LJQANCHMSA-N 403.482 3.559 0 50 HHAA Cc1ccc(F)c2[nH]c(C(=O)O[C@@H](C(N)=O)c3cccc(Br)c3)cc12 2325870850 RVFRQCTWRWUBPZ-MRXNPFEDSA-N 405.223 3.761 0 50 HHAA CC(C)c1ccc(OCc2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 686620 NUISOJUSRGHOGJ-UHFFFAOYSA-N 410.543 3.926 0 50 HHAA O=C(NC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(=O)NC1CCCCC1 2565274 MNWUMYCIHLUENF-UHFFFAOYSA-N 402.379 3.790 0 50 HHAA COC(=O)CSc1nnc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)n1C 6525987 DLLUIUNLHMMXLR-UHFFFAOYSA-N 416.890 3.653 0 50 HHAA Cn1cc(CNCCSc2cn[nH]n2)c(-c2ccc(Oc3ccccc3)cc2)n1 11664204 UDCNLVGTEJNYDE-UHFFFAOYSA-N 406.515 3.879 0 50 HHAA Cc1nnc2ccc(SCC(=O)N3CCc4c([nH]c5ccccc45)[C@H]3C(C)C)nn12 11815516 YEUDDYSUMMBDHS-JOCHJYFZSA-N 420.542 3.788 0 50 HHAA CN(C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)C1CCOCC1 12092178 RQNSIMMZBVWHTE-UHFFFAOYSA-N 403.910 3.763 0 50 HHAA COc1ccc(CCN2C[C@H](C(=O)NCCC3CCCCCC3)CCC2=O)cc1 12313959 RTURJBJKSXENIP-OAQYLSRUSA-N 400.563 3.953 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 12836317 RMXVXENATYKQKW-HSZRJFAPSA-N 413.445 3.583 0 50 HHAA COc1ccc(C[C@@]2(CCC(=O)N[C@@H](c3ccco3)C(F)(F)F)CCC(=O)N2)cc1 14987321 YYIYIEVPHZLKFF-VQTJNVASSA-N 424.419 3.680 0 50 HHAA COc1ccccc1CCN1CCC[C@@H](CN(C)Cc2nc3ccccc3n2C)C1 23340369 GTJYSNXNGBMYCU-FQEVSTJZSA-N 406.574 3.968 0 50 HHAA Cc1noc(C)c1NC(=O)N1CCC(n2cc(-c3cc(F)cc(F)c3)nn2)CC1 23478175 AEIDIONGZZJIPF-UHFFFAOYSA-N 402.405 3.697 0 50 HHAA CSc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c1 65362537 BKVATRAPGOWCBW-UHFFFAOYSA-N 421.530 3.691 0 50 HHAA CC(C)c1cccc(C(C)C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O 100721944 DYZHWMSSVRCWIL-UHFFFAOYSA-N 418.449 3.870 0 50 HHAA CCN1C[C@H](COC(=O)[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)CC1=O 240912211 IWODEHAKYHPSOC-DWQUBVKVSA-N 400.302 3.873 0 50 HHAA CCCCN(C)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O 299769983 YPRDCLIKSMJNKC-HSZRJFAPSA-N 402.510 3.804 0 50 HHAA Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@H]1CCCN2CCCC[C@@H]12 409413303 JTLPAQMATCDEIG-XLIONFOSSA-N 400.954 3.962 0 50 HHAA COC(=O)COc1ccc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 468978221 LTWCGRWXWZBYOB-CYBMUJFWSA-N 413.861 3.773 0 50 HHAA CC(C)Oc1cncc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 482179756 JZEGFQBEGSHZOJ-OAHLLOKOSA-N 409.408 3.776 0 50 HHAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@H](c2cccnc2)N2CCOCC2)c1 827654474 SEUZICMBYLQVER-QFIPXVFZSA-N 422.529 3.531 0 50 HHAA Cn1ncc2c(N[C@H]3CCCSc4ccc(Br)cc43)[nH]c(=N)nc21 1875334816 GJSDCBRYFBLKIS-LBPRGKRZSA-N 405.325 3.577 0 50 HHAA COc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 738410 LYTWUGXLRGZYSW-UHFFFAOYSA-N 415.493 3.910 0 50 HHAA CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 791959 LFBSVZWXXMQJFX-OAHLLOKOSA-N 422.934 3.778 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)cc2)c(OC)c1 1181772 UAZMXPZEVKSZJL-OALUTQOASA-N 420.465 3.802 0 50 HHAA Cc1ccc(NC(=O)c2[nH]cnc2C(=O)N2CCCCC2)c(C(=O)c2ccccc2)c1 1471194 QXPBMTMASAVULQ-UHFFFAOYSA-N 416.481 3.828 0 50 HHAA CCOc1ccc(CCN2C(=O)[C@H]3Cc4ccccc4CN3C2=S)cc1OCC 2791219 NFRIUSPKTMFREL-LJQANCHMSA-N 410.539 3.581 0 50 HHAA O=C(CNC(=O)OCc1ccccc1)Oc1ccc2c3c(c(=O)oc2c1)CCCC3 4077399 APWPTKQAOYOHMG-UHFFFAOYSA-N 407.422 3.504 0 50 HHAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1 6673173 AEQPAUINYLKIJT-UHFFFAOYSA-N 418.534 3.508 0 50 HHAA O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 12464581 HVQVUNOZAQNOSL-NRFANRHFSA-N 412.461 3.974 0 50 HHAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NCc1ccccc1Cl)CC2 14750342 JFMQNFQHOLLNKH-MRXNPFEDSA-N 412.921 3.586 0 50 HHAA COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2occc2C)CC1 14965715 DOUUABDOTFDQQS-UHFFFAOYSA-N 423.473 3.914 0 50 HHAA Cc1ccc(N2CCN(C[C@H](O)COc3ccc4c(c3)CCC4)CC2)cc1Cl 20406648 VNWNWNDELPKDCU-NRFANRHFSA-N 400.950 3.699 0 50 HHAA CCN(C(=O)CSc1nc(=O)c2c(C)cc(C)nc2n1C1CC1)c1ccccc1 20573254 FEMBQQLJVCKHON-UHFFFAOYSA-N 408.527 3.888 0 50 HHAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2C[C@H]2C[C@H]3C=C[C@H]2C32CC2)cc1 104327037 YDIWGKPSKBPQID-YUMYIRISSA-N 408.542 3.546 0 50 HHAA CC(C)Cn1ccc2c(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cccc21 169772683 APTKBOLRYUKEHG-HXUWFJFHSA-N 418.497 3.767 0 50 HHAA COc1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1-n1nnnc1C 170635822 NKKNZYXUIBVODV-OLZOCXBDSA-N 401.829 3.514 0 50 HHAA O=S1(=O)CC[C@H](Cc2nc3ccccc3n2CN2CCC[C@H]2c2cccs2)C1 239415394 UIZTZRVBQBXBLS-APWZRJJASA-N 415.584 3.870 0 50 HHAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)C1(c2ccc(Cl)cc2)CCC1 1529094577 HWTFPKYDWQRUDE-QGZVFWFLSA-N 421.950 3.573 0 50 HHAA Cc1nnc(CCc2nc(-c3ccc(Oc4ccccc4)nc3)nn2C2CC2)n1C 1875348279 LRAMGMQXRPMCAB-UHFFFAOYSA-N 401.474 3.689 0 50 HHAA Cn1cc(C2CCN(C(=O)c3sc4ccccc4c3C[S@](C)=O)CC2)cn1 2325709525 DSCMVVOPZQKBAZ-MHZLTWQESA-N 401.557 3.533 0 50 HHAA CC(C)(C)OC(=O)N1CCC[C@H]1CCNC(=O)/C=C/c1ccc(-n2ccnc2)cc1 2325745256 NBQUEJKHIDGZBK-ZBWUASRJSA-N 410.518 3.791 0 50 HHAA COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cc1 4594324 ULKULVGXVFRIFX-UHFFFAOYSA-N 415.298 3.695 0 50 HHAA C[C@@H](CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1 4725544 UBRLMYIFSYLLJQ-QFIPXVFZSA-N 405.586 3.847 0 50 HHAA Cc1cc(C)cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)c1 11980672 JUTGIKDGHRYUHP-HXUWFJFHSA-N 417.557 3.753 0 50 HHAA Cc1cc2nc(N3CCCN(Cc4cccc(OCCO)c4)CC3)nc(C)c2cc1C 12148921 AZHMWPJUIAYXQQ-UHFFFAOYSA-N 420.557 3.638 0 50 HHAA COc1cc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc2c1OCO2 19367876 PXRPVQYSGNFOKO-UHFFFAOYSA-N 419.319 3.504 0 50 HHAA CCCCn1c(CN(C)C[C@@H]2CCCCN2C)cnc1S(=O)(=O)C1CCCCC1 22913208 JXLUEARVJYDLME-IBGZPJMESA-N 424.655 3.706 0 50 HHAA Cc1c(NCc2cccnc2)cccc1C(=O)N[C@H](C(=O)N(C)C)c1ccccc1 65369908 KYSGRYWNADQDDG-QFIPXVFZSA-N 402.498 3.561 0 50 HHAA COc1ccc(CC(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc1 169753500 LNRUKEBAFHGZEE-IBGZPJMESA-N 408.477 3.552 0 50 HHAA COc1ccc(Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)cc1F 169781084 QOYPSGDYDJYPFQ-UHFFFAOYSA-N 402.853 3.603 0 50 HHAA O=C(c1ccc(Cl)nc1OC1CCC1)N1CCC[C@@H](c2nnc3ccccn23)C1 170595939 XKOKNYODDWXFRH-CQSZACIVSA-N 411.893 3.729 0 50 HHAA O=C(OCc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@@]23C=C[C@H]1O3 226889232 HOBQGCIXASHARF-YXTQBTIXSA-N 413.832 3.509 0 50 HHAA C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229513334 SZROQQSMDVTMEY-QVKFZJNVSA-N 416.905 3.902 0 50 HHAA CN(C)[C@H](CNC(=O)c1cc(-c2ccc(F)c(F)c2)on1)c1ccc(F)cc1F 238900248 IEVAPODUOLNBST-GOSISDBHSA-N 407.367 3.931 0 50 HHAA CCOc1ccccc1NC(=O)[C@@H](C)N[C@H](C)C1CCN(CC(F)(F)F)CC1 241126168 JKAMFAAXOZSANA-HUUCEWRRSA-N 401.473 3.665 0 50 HHAA Cc1cccc([C@H]2CCCN2C(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)c1C 253417375 RUOHROXEBSFLDS-AZUAARDMSA-N 402.535 3.993 0 50 HHAA CCOC1CCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)CC1 426394764 XYJRZVRVGAMNSJ-UHFFFAOYSA-N 403.548 3.552 0 50 HHAA Cc1c(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)cccc1NC(=O)N(C)C 473539427 KJVIDYPFCZTGGC-UHFFFAOYSA-N 410.503 3.751 0 50 HHAA O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1sccc1S(=O)(=O)C(F)F 765997155 CWJBJKWSJGILCY-LLVKDONJSA-N 413.389 3.648 0 50 HHAA CCOC(=O)CCN1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc(F)cc1 888096104 UIXNGFJSCMQJHV-UHFFFAOYSA-N 411.477 3.643 0 50 HHAA Cc1cc(C(F)(F)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)cnc1Cl 1357606131 UPCCHAUWMREKAA-UHFFFAOYSA-N 403.816 3.984 0 50 HHAA CO[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)c2ccc(-c3ccccc3Cl)cc2)CC1 2325828208 BAFIEFPWUSLRGL-DLBZAZTESA-N 414.933 3.816 0 50 HHAA CN(c1ccccn1)S(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1 2325879244 NSNNXFODZRGPNJ-UHFFFAOYSA-N 410.318 3.793 0 50 HHAA Cc1cc(C)cc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 674130 VQAFDMSISRJYBU-UHFFFAOYSA-N 406.463 3.905 0 50 HHAA O=C(O)c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)O)cc2)C3=O)cc1 850612 JXOCRSHFYHADGX-UHFFFAOYSA-N 403.346 3.676 0 50 HHAA CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1C[C@@H]1CCCO1 1059394 FCUQLKSURITWOG-AWEZNQCLSA-N 413.543 3.989 0 50 HHAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSCc2ccc(Cl)cc2)c1 1119078 KKTQXVLRARBBCA-UHFFFAOYSA-N 407.875 3.785 0 50 HHAA CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 2861416 KIGITZXTTVOVLW-UHFFFAOYSA-N 404.532 3.605 0 50 HHAA O=C(NCCCn1ccnc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 9060445 WXRPAOCTKMQIHF-NVXWUHKLSA-N 418.423 3.560 0 50 HHAA CCn1c(SCC(=O)c2cc(C)n(CCOC)c2C)nnc1-c1ccccc1O 9576104 NQBWRVMSPWEPRI-UHFFFAOYSA-N 414.531 3.710 0 50 HHAA CN(C)Cc1ccc(C(=O)NCC2(N(C)Cc3ccccc3)Cc3ccccc3C2)o1 11815517 YNQPFVBOBDDTSW-UHFFFAOYSA-N 417.553 3.741 0 50 HHAA O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCN(c2cccc(Cl)c2)CC1 11937478 SHUVQIFSCJVSTI-VMPITWQZSA-N 407.905 3.607 0 50 HHAA Cc1ccccc1CN[C@@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 14536100 TWEYDJYGQYDTOQ-OAQYLSRUSA-N 402.542 3.589 0 50 HHAA CSc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)N1CCCC1 16626033 SADCBUCZBJTZRQ-UHFFFAOYSA-N 408.589 3.813 0 50 HHAA COc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1OCc1ccccc1 19823737 RHJSBZCOJFKXNB-UHFFFAOYSA-N 406.482 3.825 0 50 HHAA O=C1C[C@@H](c2cccs2)Cc2nc(N3CCN(Cc4ccccc4)CC3)ncc21 19899898 SHUNLXGAGCXBFU-SFHVURJKSA-N 404.539 3.773 0 50 HHAA COc1ccc(CN2CCN(CCOc3ccccc3Cl)CC2)c(OC)c1OC 20322787 YCXAKFSQDWGVCJ-UHFFFAOYSA-N 420.937 3.562 0 50 HHAA CCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C 65749016 OKAQHVJSXLGXET-NRFANRHFSA-N 421.501 3.772 0 50 HHAA in-vitro COc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)cc1 169758363 UOBSSBABLCQXIU-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA COc1ccc(Cl)cc1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772343 DXMURFXROIHGSX-UHFFFAOYSA-N 414.815 3.556 0 50 HHAA Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1I 231422751 MVPAZKYIIFBMAN-GFCCVEGCSA-N 401.269 3.639 0 50 HHAA CCOc1ccc(-c2cc3c(=O)n(C[C@H](O)c4cc(C)ccc4C)ccn3n2)cc1 263618474 TZAYZNHHKDRXPG-QHCPKHFHSA-N 403.482 3.912 0 50 HHAA COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H](C)CCOc1ccccc1 427073925 TTWHNVIQFZWESO-BTYIYWSLSA-N 412.461 3.613 0 50 HHAA O=C1CC[C@@H](N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CCN1CC1CC1 952978389 LUFSCLYDNIUDHK-LJQANCHMSA-N 410.480 3.780 0 50 HHAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCc1nc(C)cc(C(F)(F)F)n1)(C3)C2 952979844 PCSQPKOBEBXJBS-ZVEHZALQSA-N 411.468 3.574 0 50 HHAA COC(=O)C1CCN(CC[C@H](CSc2ccccc2)NC(=O)OC(C)(C)C)CC1 953033825 SRCNBAXSERIDOV-GOSISDBHSA-N 422.591 3.947 0 50 HHAA CCc1ccc([C@@H]2CCCN(C(=O)[C@H](C)NC(=O)c3n[nH]c4ccccc34)C2)cc1 1449163316 NMIJYCYWABNWEP-QFBILLFUSA-N 404.514 3.650 0 50 HHAA Cc1noc(C)c1CC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704300430 VRBQPSJATXIRAY-DEOSSOPVSA-N 402.498 3.798 0 50 HHAA CC[C@H]1CCCN1C(=O)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 1875261624 VAKUWGSKJUIBSO-WMZHIEFXSA-N 422.525 3.579 0 50 HHAA CCc1nocc1C(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2ccccc2F)C1 1875326767 UFDZNTDQQZSYEM-SMQSCJQKSA-N 421.472 3.636 0 50 HHAA Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(OCc2ccc(F)cc2)c1 1875360755 LCGFSPWAMUPLGG-UHFFFAOYSA-N 407.854 3.836 0 50 HHAA COc1ccc(-c2onc(N3CCC[C@H](OCc4cccnc4)C3)c2C(=O)O)cc1 2356154150 JOOANBLCMQHTRB-SFHVURJKSA-N 409.442 3.629 0 50 HHAA CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)Cn3c(C)nc4ccccc43)cc12 644357 GGUNLVLBVWXPDD-QGZVFWFLSA-N 421.497 3.761 0 50 HHAA C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccccc1Cl 1049632 YIZJAKZJCNRRMH-JTQLQIEISA-N 421.733 3.630 0 50 HHAA Clc1ccccc1Cn1ncc2c(N3CCN(C4CCCCC4)CC3)ncnc21 6759821 ARBNAGWDUWBTRY-UHFFFAOYSA-N 410.953 3.983 0 50 HHAA Cn1ncc(Cl)c1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 6790342 PKJOTNTXBZAHEP-UHFFFAOYSA-N 400.891 3.947 0 50 HHAA C[C@@H](Cc1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1)c1ccccc1 9191007 GLCVXAXHLYVGOL-HNNXBMFYSA-N 424.526 3.968 0 50 HHAA O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)CSc2ncccn2)C1 11816779 BIHCJTVVNFEEOB-SFHVURJKSA-N 417.534 3.942 0 50 HHAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 11818741 XEAOYOOEWMDBDA-GOSISDBHSA-N 411.521 3.789 0 50 HHAA O=C(NCc1cccc(N2CCCC2)c1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 11874197 RWAAAYLYTMZDRT-QHCPKHFHSA-N 419.569 3.774 0 50 HHAA COc1cc(C)ccc1OCc1cc(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)no1 11933140 AYLXFAKDLYWWAL-UHFFFAOYSA-N 424.501 3.726 0 50 HHAA Cc1nonc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 11933452 XMCMRDVBMABWLT-QGZVFWFLSA-N 408.433 3.675 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)C(=O)c2ccco2)C1 11949679 WFRLTBIYXQENOT-CQSZACIVSA-N 418.877 3.782 0 50 HHAA CCN(CC)CC(=O)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 12209437 XANGEHRZIVVDRD-JOCHJYFZSA-N 400.611 3.797 0 50 HHAA COC(=O)c1cc(CNC(=O)/C=C/c2ccccc2)cc(NC(=O)c2ccco2)c1 12218010 XJKLXFCEHYWFPQ-MDZDMXLPSA-N 404.422 3.648 0 50 HHAA O=C(NCCc1cscn1)c1ccccc1OC1CCN(Cc2ccccn2)CC1 12304104 OXVUYGFWSNNTBT-UHFFFAOYSA-N 422.554 3.554 0 50 HHAA CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1O 14009038 AVGBQADAPYDLDV-WQRHYEAKSA-N 412.467 3.774 0 50 HHAA COC(=O)c1c(NC(C)=O)c2cc(NC3CCCCC3)cnc2n1C[C@@H]1CCCO1 14532821 LEZLSJZXWLLZIX-KRWDZBQOSA-N 414.506 3.705 0 50 HHAA COc1cc(C[C@@]2(CCC(=O)N[C@@H](C)Cc3ccsc3)CCC(=O)N2)ccc1F 14998687 QPJGYJPBVNNMNT-OYHNWAKOSA-N 418.534 3.615 0 50 HHAA CCc1n[nH]c(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)c1C 15061818 NGBSRRNGYSCAQN-MRXNPFEDSA-N 416.953 3.883 0 50 HHAA CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1C(=O)NC1CCCC1 17082920 RTOIUWWMFAMKHX-HZPDHXFCSA-N 404.532 3.897 0 50 HHAA O=C(CCC(F)(F)F)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55074255 AXYPMKCSKIPNNW-KRWDZBQOSA-N 403.876 3.796 0 50 HHAA CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2cccc3c2OCC3)nc1 67688941 SNSKDEWBUJUGGD-SFHVURJKSA-N 402.450 3.596 0 50 HHAA COc1ccc(NC(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)cc1Cl 72117414 KHDYQOKTTHTVQE-UHFFFAOYSA-N 418.929 3.671 0 50 HHAA CCOc1ccc2c(C)c(C(=O)N3CCC[C@@H](CCC(N)=O)C3)oc2c1OCC 91547969 SQRCRPUKSUNIFR-HNNXBMFYSA-N 402.491 3.656 0 50 HHAA Cc1ccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1C 100921490 JVDJVBTZNXPUJT-PTRHGPIFSA-N 401.462 3.877 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc(SC)c3)C[C@H]2CCO)c(F)c1 104534342 BVBRCFFEJDSXBO-LJQANCHMSA-N 404.551 3.625 0 50 HHAA Cc1ccc(NC(=O)N2CCN(Cc3c(Cl)ncnc3N(C)C)CC2)cc1Cl 170616881 MSTBOSDNIKCFKX-UHFFFAOYSA-N 423.348 3.508 0 50 HHAA CON(C)C(=O)c1ccc(NC(=O)c2cc3c(F)cc(Br)cc3[nH]2)cc1 170623368 AVZKWWVZYJTSNE-UHFFFAOYSA-N 420.238 3.955 0 50 HHAA C[C@H]1CC(CNC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2O)C[C@H](C)O1 225623962 RKUHIYNYQJOPTG-STQMWFEESA-N 418.440 3.856 0 50 HHAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccccc4)cc3)C(=O)[C@H]2C1 239412368 SPPNDCBQBHYBME-XPGWFJOJSA-N 405.450 3.652 0 50 HHAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 241231064 KRQYRPUMPHQIET-ZKSSQKEESA-N 405.542 3.961 0 50 HHAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 241587825 OXMJVAXFVCTJCV-LRPZHRECSA-N 409.618 3.914 0 50 HHAA CCCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2 248233905 BIROQCBOOCIHGW-WUMKDDEVSA-N 416.562 3.780 0 50 HHAA C[C@@H](C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)c1ccc(Cl)c(Cl)c1 471897461 IDLDTACCCRXCTF-CYBMUJFWSA-N 406.313 3.545 0 50 HHAA O=C(OCC(=O)N1c2ccccc2CCc2ccccc21)c1cc2c(cc1O)OCO2 919451894 OLDRTXUNXXHKCU-UHFFFAOYSA-N 417.417 3.741 0 50 HHAA COCCCN(Cc1cccc(OC)c1)S(=O)(=O)c1cc(C)cc2cccnc12 952983512 UEGGULCXYHBGFW-UHFFFAOYSA-N 414.527 3.779 0 50 HHAA COc1ccc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc1OCc1ccccc1F 1704342054 DKYXUDOVLNPQJA-HSALFYBXSA-N 412.505 3.760 0 50 HHAA COCc1cc(=O)c(O)c(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(OC)cc2)o1 1857526555 LSSLPNSPEWLGQF-UHFFFAOYSA-N 420.421 3.930 0 50 HHAA Cc1cccc(COc2ccc3c(c2)CCOC32CCN(Cc3cncnc3)CC2)n1 1857675565 DIGYOZMUFFBARH-UHFFFAOYSA-N 416.525 3.823 0 50 HHAA O=C1C[C@H]2N(Cc3ccc4cccc(F)c4n3)CC[C@]23OC[C@@H](c2ccccc2)N13 1857740676 UHMDCFLYLSOQSE-IMSXRSKXSA-N 403.457 3.648 0 50 HHAA Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1cccc(COC[C@@H]2CCCO2)c1 2325725723 UYKXRQHSWLLWMD-FQEVSTJZSA-N 422.529 3.770 0 50 HHAA COc1cnccc1-c1ccc(C(=O)N2CCCN(Cc3ccccn3)CC2)cc1 2356152580 PVMKSETUVCUIQH-UHFFFAOYSA-N 402.498 3.500 0 50 HHAA CCOC(=O)c1sc(NC(=O)COc2ccc(CC)cc2)c(C(=O)OCC)c1C 939149 XYNTWUBEDWPDEL-UHFFFAOYSA-N 419.499 3.990 0 50 HHAA CCc1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 1111227 XJQHQUPBJRRTSO-UHFFFAOYSA-N 401.315 3.961 0 50 HHAA CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1OCC 1142785 GPGDFYWOBGXCSA-UHFFFAOYSA-N 420.531 3.813 0 50 HHAA O=C(CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1cccc(Cl)c1 1230319 WAWVIIFWOPJXDB-HNNXBMFYSA-N 409.294 3.997 0 50 HHAA CCOc1ccc(C(=O)COC(=O)c2ccccc2I)cc1 1234524 CDOOUFWWCQNLMS-UHFFFAOYSA-N 410.207 3.730 0 50 HHAA CCOC(=O)c1cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)nn1C 2795331 POGAKAYKTXJXFI-UHFFFAOYSA-N 422.413 3.574 0 50 HHAA Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)NCc1ccccc1 2855852 VJOBAYRBLOBXKN-UHFFFAOYSA-N 416.547 3.796 0 50 HHAA Cc1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(Br)cc2)NC(=O)N3C)cc1 4726745 KLFFBIFAAKQFQH-GOSISDBHSA-N 412.287 3.755 0 50 HHAA O=C(NCc1cccc2[nH]ccc12)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 11951860 FUBOVNQQWVVHNS-GOSISDBHSA-N 409.917 3.919 0 50 HHAA COc1ccccc1/C=C/CN1CCC2(CC1)C[C@H]2C(=O)NCc1cccc(C)n1 12135946 OTMLJAHXNUWWMZ-OUZREKFBSA-N 405.542 3.830 0 50 HHAA COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(C)c(O)c(C)c4)N4CCC[C@@]34C2=O)cc1 12594052 PCKFUEHLWXJVHM-XTJBDQBJSA-N 406.526 3.956 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(O)c1 15069024 BSJXSQUXQJYHLW-XLIONFOSSA-N 410.543 3.528 0 50 HHAA Cc1ccc(O[C@@H](C)c2nnc(SCc3cc(=O)n4ccsc4n3)n2C)cc1 17089626 ZBACYKKHINXQCI-ZDUSSCGKSA-N 413.528 3.625 0 50 HHAA Cc1ccccc1-c1cn2c(C(=O)NCc3nc4ccccc4c(=O)[nH]3)csc2n1 19720350 WBXONMRXLVFCTM-UHFFFAOYSA-N 415.478 3.538 0 50 HHAA C=CCC1(CC=C)CCCCN1C(=O)C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1 20534223 QDSPNAKJLCRYIL-YYVWFHOOSA-N 421.585 3.794 0 50 HHAA CSc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c1 72441734 OGZLWPZPHBTLSP-UHFFFAOYSA-N 412.563 3.543 0 50 HHAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 164350787 ZBHKKVNWYMQFSD-DGEQQKEJSA-N 402.491 3.805 0 50 HHAA COc1cc(OC)c([C@H]2CC(=O)Oc3ccc4c(=O)c(Cl)coc4c32)cc1OC 217930950 QLJAVQQBCKIGPW-GFCCVEGCSA-N 416.813 3.913 0 50 HHAA biogenic O=C(Cn1cc(C(F)(F)F)nc1-c1cccnc1)Nc1ccc2c(c1)OCCCO2 225824055 LHHKSINSXVDADC-UHFFFAOYSA-N 418.375 3.764 0 50 HHAA O=C(NCCS(=O)(=O)CC1CC1)c1cc(-c2cccs2)nc2ccccc12 766615316 QTVYMVLXBPJIKZ-UHFFFAOYSA-N 400.525 3.518 0 50 HHAA O=C(NC1(c2cccc(OC(F)(F)F)c2)CCOCC1)c1ccc2cccnn12 772783873 IGLLPXDPRYNTGB-UHFFFAOYSA-N 405.376 3.669 0 50 HHAA Cc1cc(CN(C)Cc2nc3cccc(C)c3[nH]2)c(C)c(CN2CCN(C)CC2)c1 952977079 SCHOYROBMTVJGR-UHFFFAOYSA-N 405.590 3.868 0 50 HHAA O=C(c1ccc[nH]1)N1C[C@H]2CN(Cc3nccs3)C[C@@]2(CCc2ccccc2)C1 1772818348 QRJBMIYPZDXVOD-XXBNENTESA-N 406.555 3.678 0 50 HHAA O=c1c2ccccc2c(O)nn1CCn1ccnc1-c1ccc(CC(F)(F)F)cc1 1857704461 SPWJUBAKISBTTB-UHFFFAOYSA-N 414.387 3.771 0 50 HHAA C[C@@H](N=c1[nH]cnc2cc(Br)sc12)c1cccc(N2CCNC2=O)c1 1875321488 KGNSLYLKCIHECZ-SNVBAGLBSA-N 418.320 3.578 0 50 HHAA C[C@H](C1CCOCC1)n1nc(-c2ccncc2)nc1[C@@H]1CCO[C@H]1c1ccncc1 1875348681 YWIZUZLCYAGBMV-HBGVWJBISA-N 405.502 3.968 0 50 HHAA C=CC(=O)N1CCC(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2O)CC1 1875371664 IOTAWGFTHOXFHK-UHFFFAOYSA-N 421.213 3.537 0 50 HHAA C[C@]1(c2noc(-c3cc(C4CC4)nc4c3cnn4Cc3ccncc3)n2)CCCO1 1875391870 LMYBDXXNHAFPHJ-JOCHJYFZSA-N 402.458 3.828 0 50 HHAA Cc1cnn(C2CCN(C(=O)C3=NN(c4ccc(C(C)C)cc4)C(=O)CC3)CC2)c1 2325820182 DWQYMLRRIZLCFN-UHFFFAOYSA-N 407.518 3.661 0 50 HHAA CC(C)n1nc2c(c1CNc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)CCC2 2325862127 KALJJWCNDZDWCH-UHFFFAOYSA-N 408.543 3.781 0 50 HHAA CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1)c1ccccc1 839596 LRGKHCRKWBKMKY-UHFFFAOYSA-N 424.478 3.634 0 50 HHAA COC(=O)c1ccc(Oc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1 1071662 KDTSOEVRGCIWHE-UHFFFAOYSA-N 409.421 3.933 0 50 HHAA COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc(C(=O)N(C)C)c1C 1113277 BBNZBWNKYCDFEN-NSHDSACASA-N 424.906 3.604 0 50 HHAA CCOc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 1201830 ZIPNSGJPASJEQK-UHFFFAOYSA-N 417.314 3.797 0 50 HHAA CC(C)(C)SCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 2989782 OHTMQJSNWZVJJD-UHFFFAOYSA-N 420.600 3.914 0 50 HHAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccccc2Br)o1 4541965 LVIOGMKKKFHDJL-OAHLLOKOSA-N 407.289 3.675 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)COc3ccc(C(C)=O)cc3)C2)cc1F 11661911 JSIIXMWHPDHWHG-SFHVURJKSA-N 413.445 3.537 0 50 HHAA COc1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)cc(OC)c1OC 11717947 QOSZIUVHLPOTET-SFHVURJKSA-N 416.493 3.588 0 50 HHAA C[C@H](CNC(=O)/C=C/c1cccc(F)c1)Oc1cccc(CN2CCSCC2)c1 12053585 XNOXUVFOBVXYBB-GFOMBABLSA-N 414.546 3.971 0 50 HHAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)c(OC)c1 12307674 SHPMMJCTFKAWSG-GOSISDBHSA-N 405.498 3.984 0 50 HHAA CCn1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cn1 12757864 NCTRMYRUGNIJRX-UHFFFAOYSA-N 420.561 3.898 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 13593614 WRYLXRKPSCZQGN-OAHLLOKOSA-N 400.441 3.673 0 50 HHAA O[C@@H](OCCCCCCO[C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 16997637 ZQACRPYJMAADEF-OCAPTIKFSA-N 412.952 3.957 0 50 HHAA CCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1-c1csc(C)c1 17093236 KCSUTCZPXUFYFE-UHFFFAOYSA-N 422.557 3.914 0 50 HHAA Cc1ccc(-c2n[nH]c(=S)c3ccccc23)cc1S(=O)(=O)NC[C@@H]1CCCO1 18116753 QJTQRWDZFWMEET-HNNXBMFYSA-N 415.540 3.725 0 50 HHAA CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 67614294 CPSZCKGKUZHLRI-UHFFFAOYSA-N 410.539 3.791 0 50 HHAA Cc1ccc(C(=O)[C@@H](C)Oc2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 100921306 PJXPUPWAJMKDTG-DSIDUYFZSA-N 401.462 3.957 0 50 HHAA O=C(N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1ccc(Br)cc1 169754170 BEDFJXFOCKSEFL-AWEZNQCLSA-N 417.332 3.909 0 50 HHAA Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C3=C2C(=O)OC3)cc1 169758972 SZJZHQHUHZQWAN-JOCHJYFZSA-N 419.481 3.634 0 50 HHAA CC(C)CN(CC(=O)NC1CCOCC1)C(C)(C)c1ccc(Br)cc1 170601221 ACRBFZLDPNHVSI-UHFFFAOYSA-N 411.384 3.937 0 50 HHAA CON(C)S(=O)(=O)c1cccc(C(=O)N2CCCCC[C@@H]2c2ccc(C)o2)c1 170634362 DKRARKVRJOMIEF-GOSISDBHSA-N 406.504 3.527 0 50 HHAA O=C(CN1CCC[C@](O)(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 225674774 MGJIIOPJSSOTGX-HXUWFJFHSA-N 408.420 3.897 0 50 HHAA CCOC(=O)C[C@H]1CCCCN1Cc1nc(NCCCOC)c2cc(C)ccc2n1 299757708 IYEPCRCQNHOHRP-GOSISDBHSA-N 414.550 3.694 0 50 HHAA O=S(=O)(Nc1noc(-c2ccccc2F)n1)c1ccc(OC(F)(F)F)cc1 328594127 SAGOMCXIDIPTAG-UHFFFAOYSA-N 403.313 3.575 0 50 HHAA Cc1ncnc(C)c1C(=O)NCC1CCN(Cc2ccccc2-c2ccco2)CC1 828133693 PSXTWHWCUWUHMR-UHFFFAOYSA-N 404.514 3.995 0 50 HHAA COc1ccc(CCN(Cc2ccccn2)C(=O)[C@H]2CC(=O)OC23CCCC3)cc1 952966654 XTLJVLNZNRSPKV-OAQYLSRUSA-N 408.498 3.537 0 50 HHAA CCCc1c(C)nc2ccc(C(=O)O)cc2c1N1CC[C@H](O)[C@](CO)(CCC)C1 1529158451 CZYAUXABWHDHPN-NZQKXSOJSA-N 400.519 3.544 0 50 HHAA COc1ccccc1CCC(=O)N[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 1857694373 NMADMLFAUDKQAQ-RBUKOAKNSA-N 400.906 3.749 0 50 HHAA COC[C@@H](C)[C@@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1875260800 HTNHYGJXWJCJFW-VXGBXAGGSA-N 407.864 3.757 0 50 HHAA O=C(N=c1ccn(Cc2ccc(F)cc2)[nH]1)NCc1ccccc1CC(F)(F)F 1875317769 DFHMRFDBURYWKG-UHFFFAOYSA-N 406.383 3.919 0 50 HHAA Cc1cccc(OCC(=O)N2CCN(C(=O)c3cc4c(C)c(C)ccc4[nH]3)CC2)c1C 2325732295 HDERUCVOTGLFIY-UHFFFAOYSA-N 419.525 3.765 0 50 HHAA CC(C)CN1CCO[C@H](COC(=O)c2ccc3cncc(Br)c3c2)C1 2325839904 JCFWRQASHFIRDF-INIZCTEOSA-N 407.308 3.511 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)cc1 1112775 JHHXCYIQJIOXMW-UHFFFAOYSA-N 404.532 3.858 0 50 HHAA O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)CCCC2 1170742 IVADEYIFFKRQRZ-HXUWFJFHSA-N 400.272 3.741 0 50 HHAA CCC(=O)c1ccc(OCC(O)COc2ccc(C(=O)CC)cc2OC)c(OC)c1 1208820 ZPRYCPWLOCWSSN-UHFFFAOYSA-N 416.470 3.708 0 50 HHAA biogenic CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1310384 KCMWQBMOGWUOFF-MRXNPFEDSA-N 402.317 3.881 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 2348315 KOWLVKPXBGSMLF-GOSISDBHSA-N 408.523 3.785 0 50 HHAA COc1cc(Br)c([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1OC 2469534 ZPWMOLGIQBSEIK-JTQLQIEISA-N 420.259 3.712 0 50 HHAA CCCOc1ccnc(SCC(=O)Nc2ccc(OC(F)F)c(OCC)c2)n1 2791426 KCQUVJLKSYSEHA-UHFFFAOYSA-N 413.446 3.996 0 50 HHAA O=c1c2cc(Br)ccc2ncn1Cc1c(F)c(F)c(F)c(F)c1F 3131473 SMYPWKJQEBRHNA-UHFFFAOYSA-N 405.120 3.903 0 50 HHAA CCCCOc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4182830 YUGQFNDJHHQPCV-FQEVSTJZSA-N 401.528 3.695 0 50 HHAA COc1ccc(-c2nc3c4c(C)c(C)n(Cc5ccncc5)c4ncn3n2)cc1OC 9302716 JBPHAOZQLVFSBC-UHFFFAOYSA-N 414.469 3.823 0 50 HHAA O=C(NCCc1ccco1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11934850 UWMKVZIKSLJTTH-IBGZPJMESA-N 416.525 3.801 0 50 HHAA Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)CCc2ccccc2)C3)n1 11995692 NCHKOEUVOWXKBF-SFHVURJKSA-N 405.473 3.952 0 50 HHAA Cc1noc(C)c1C(=O)N1CCC[C@@H]2CN(C(=O)CCCc3ccccc3)CC[C@@H]21 11998312 OITPXCNUEOZWJH-RTWAWAEBSA-N 409.530 3.767 0 50 HHAA O=C(c1cccnc1)N1CCC(Oc2ccccc2C(=O)N2CCCCCC2)CC1 12027852 OUDWOVYAUXHAIJ-UHFFFAOYSA-N 407.514 3.781 0 50 HHAA CO[C@@H]1CCCN(C(=O)c2cc(C)ccc2OC2CCN(Cc3ccncc3)CC2)C1 12197208 FYGKEPONFGFFSV-JOCHJYFZSA-N 423.557 3.684 0 50 HHAA O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCCc1ccncc1 12246943 URVPQDOWKBGPAF-SFHVURJKSA-N 415.921 3.567 0 50 HHAA CSc1nc(C(=O)N2CCC[C@H](CNC(=O)c3cc4ccccc4[nH]3)C2)cs1 12432621 DIQQZNRISDNQAD-CYBMUJFWSA-N 414.556 3.629 0 50 HHAA COCc1ccc(CN2CCOc3ccc(CN4CCC[C@@H](COC)C4)cc3C2)o1 12454054 PTZCBTQBEPOFFK-HXUWFJFHSA-N 414.546 3.679 0 50 HHAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cccc(Cl)c2)CC1 12577903 YMYFCRZLUJSJGX-FQEVSTJZSA-N 405.970 3.573 0 50 HHAA CC(=O)Nc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cc1 12582384 XDACXLVVHRHSPQ-HSZRJFAPSA-N 417.513 3.824 0 50 HHAA COc1cccc(CC(=O)N2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)c1 14987082 UABUNELSLLNFHJ-UHFFFAOYSA-N 420.431 3.518 0 50 HHAA C[C@@H](CNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O)c1ccccc1 14989010 NNLDXBVNOONICG-SFHVURJKSA-N 423.557 3.664 0 50 HHAA CCN1C(=O)COc2ccc(C(=O)CSc3cc(-c4ccccc4)ncn3)cc21 16661357 WIRHEKLBJHRXDV-UHFFFAOYSA-N 405.479 3.864 0 50 HHAA CCOC(=O)c1ccccc1NC(=O)c1cnc(N2CCOCC2)c2ccccc12 33072985 AGXISARXNRTAJP-UHFFFAOYSA-N 405.454 3.500 0 50 HHAA COc1ccc([C@@H]2c3c(nn(-c4ccccc4)c3C)C[C@@](C)(O)[C@H]2C(C)=O)cc1OC 33837876 CQJYUMMMUFETNO-DSNGMDLFSA-N 420.509 3.842 0 50 HHAA COCCN(Cc1ccc2nonc2c1)CC1CCN(Cc2ccccc2F)CC1 55153099 BEGLGKOPMLMQAP-UHFFFAOYSA-N 412.509 3.723 0 50 HHAA O=S(=O)(CCNCc1cc2ccccc2nc1N1CCCCC1)c1ccccc1 110249197 ZPRQFKSHIREKOP-UHFFFAOYSA-N 409.555 3.789 0 50 HHAA CC(=O)c1ccc(N2CCN([C@H]3CCC(=O)N(Cc4ccccc4F)CC3)CC2)cc1 200585426 WXCYJQPFHOJVGE-QHCPKHFHSA-N 423.532 3.732 0 50 HHAA CC1(C)[C@H](NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)[C@H]2CCCO[C@H]21 230138522 MANVJMSOCGUFLV-KBAYOESNSA-N 408.527 3.929 0 50 HHAA COC(=O)C(C)(C)[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)c1ccccc1 239722389 CCPMVEGLFZGMET-CDHQVMDDSA-N 408.498 3.951 0 50 HHAA O=C(NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1)c1onc2c1CCCC2 426434876 QVJGZIWRZUTHNA-HSZRJFAPSA-N 417.509 3.919 0 50 HHAA CC(C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2O)c1 436480025 YNRIFSSHQPSBBD-UHFFFAOYSA-N 403.287 3.638 0 50 HHAA C=CC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(OC)cc1N1CCC(N(C)C)CC1 498050811 FKHBXDRZYHNBLX-UHFFFAOYSA-N 418.538 3.697 0 50 HHAA O=C(c1ccccn1)[C@H]1CCCN(Cc2ccccc2OCC(=O)N2CCCCC2)C1 952980047 XCFYNZIVLOCFRC-NRFANRHFSA-N 421.541 3.568 0 50 HHAA Cc1ccc(CCC(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c(C)c1 1857729406 ZLRAYQGMDNRFLV-RQTOMXEWSA-N 404.510 3.537 0 50 HHAA COc1cccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2cccc(C)c2)c1 639231 WNXBBWZZGLOHBI-UHFFFAOYSA-N 400.434 3.904 0 50 HHAA CCOc1ccc(NC(=O)CSc2nnnn2-c2cccc3ccccc23)cc1 707140 YFMFQAWSUOJTNN-UHFFFAOYSA-N 405.483 3.945 0 50 HHAA COC(=O)c1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 780858 QBUSHNMMBZIXLR-OAHLLOKOSA-N 424.400 3.934 0 50 HHAA CCOc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc(OCC)c1OCC 847201 MMCLTDIWCJEAAK-UHFFFAOYSA-N 414.502 3.972 0 50 HHAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1cccc(F)c1 1115724 YPNUCEJPIHTSLS-UHFFFAOYSA-N 402.422 3.799 0 50 HHAA CC(C)c1c(O)nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1=O 1138707 KQBJPAGIBWDWNE-UHFFFAOYSA-N 401.532 3.603 0 50 HHAA CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccc(OC)c(OC)c1 4735953 BZAXZDDZRNHBEZ-NSHDSACASA-N 419.532 3.558 0 50 HHAA Cc1cccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c1C 11697986 PPDNLLBYRXQCLS-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA Oc1ccccc1N1CCN(c2nncc(-c3ccc(C(F)(F)F)cc3)n2)CC1 11937620 RQXYWWNWGUCCLI-UHFFFAOYSA-N 401.392 3.590 0 50 HHAA COc1ccccc1C(=O)N(CCN(C)C)Cc1cc2cccc(C)c2nc1N(C)C 12211771 XGLKWGDUNCXGNN-UHFFFAOYSA-N 420.557 3.822 0 50 HHAA O=C(CCC(=O)N1CCC(=O)N(Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1 12279990 IWIQPDMALQMQJM-UHFFFAOYSA-N 416.880 3.703 0 50 HHAA COc1cccc(C[C@@]2(CO)CCCN(Cc3cc(Cl)c(O)c(OC)c3)C2)c1 12438829 SYOTVEJLSOREMZ-QFIPXVFZSA-N 405.922 3.880 0 50 HHAA CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)CCc2ccc(F)cc2)CC1 12579012 XXGRIQLTSUUZJO-UHFFFAOYSA-N 400.498 3.803 0 50 HHAA COc1ccc(C(C)(C)NC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)cc1OC 12717965 WZKWOWKCMKQVMO-GOSISDBHSA-N 416.562 3.874 0 50 HHAA O=C(NC[C@H]1CCCN(Cc2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 12754463 GVTWWAKVYFSOGJ-OAHLLOKOSA-N 409.511 3.667 0 50 HHAA O=C(CC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)NCc1ccccc1F 13636650 PONQJXXFDOLPEL-SFHVURJKSA-N 412.505 3.906 0 50 HHAA CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1cnc3ccccc3c1)C2 14750879 ICXURLNZJVHIRF-FQEVSTJZSA-N 417.557 3.724 0 50 HHAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccccc2C(C)=O)C1 14972318 DHCIPRKTRHLGMD-FQEVSTJZSA-N 408.542 3.925 0 50 HHAA O=C(Nc1nnc(Cc2ccccc2)s1)C1CCN(C(=O)c2cccc(F)c2)CC1 16649624 HNPBPBZHNADYPO-UHFFFAOYSA-N 424.501 3.759 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 20599809 KKUNUUAZJKQYAW-INIZCTEOSA-N 421.419 3.547 0 50 HHAA O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NC[C@H]1C[C@H]2C=C[C@H]1C21CC1 101842955 DZUQKNDNQHUNCX-ZHALLVOQSA-N 402.498 3.793 0 50 HHAA COc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)cc1F 169754024 QJOQHJGMYGVYLQ-INIZCTEOSA-N 414.868 3.887 0 50 HHAA O=C(Cn1nc(-c2ccco2)ccc1=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 169774003 VWLHMEKWQVEENB-KRWDZBQOSA-N 422.872 3.832 0 50 HHAA COc1ccccc1CCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 169780440 DKBGCJKSHBGAMD-UHFFFAOYSA-N 422.451 3.530 0 50 HHAA CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)c(F)c3)C2)c1 170618421 BDHYRXOJFWTGOC-IBGZPJMESA-N 423.897 3.938 0 50 HHAA C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C(=O)NC2CC2)C1 239309206 HHIPYHRVBWDGOQ-MRVWCRGKSA-N 404.532 3.595 0 50 HHAA COCCn1ccc2c(NC(=O)COc3cccc4c3ccn4CCOC)cccc21 263587762 KYMBOKXVWYVWPX-UHFFFAOYSA-N 421.497 3.906 0 50 HHAA COCCn1ccc2c(OCC(=O)Nc3cnc4cc(OC)ccc4c3)cccc21 263588399 SYXOPJPNMOEXBC-UHFFFAOYSA-N 405.454 3.862 0 50 HHAA O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888104850 PCDDJAHTPVKFLV-ZWCUEREDSA-N 421.928 3.929 0 50 HHAA C[C@@H](NC[C@H]1OCCc2ccccc21)c1cnn(-c2cccc(Br)c2)n1 2325854152 QAGVIPAJTDSKNY-JLTOFOAXSA-N 413.319 3.994 0 50 HHAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccc(OCc4ccccc4F)cc3)CC2)C1 2356158362 ZANJCTVSUPGFOJ-HSZRJFAPSA-N 413.489 3.941 0 50 HHAA Cc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc23)cc1S(N)(=O)=O 873261 FNSYVDKIMHKVFN-UHFFFAOYSA-N 406.467 3.702 0 50 HHAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCCCC2)cc1OC 1188633 ZXBLWJQHOJZCEJ-CAPFRKAQSA-N 408.498 3.877 0 50 HHAA COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1OC 2255078 OOGGVJQGLZTVMP-HXUWFJFHSA-N 414.417 3.955 0 50 HHAA COc1cccc(OC)c1C(=O)Nc1ccc(I)cc1F 2848320 HOUQIMJMSSQUAB-UHFFFAOYSA-N 401.175 3.700 0 50 HHAA O=C(N[C@H]1CSC[C@@H]1OC(=O)c1ccc(Br)cc1)c1ccccc1 2858421 JAFCXLJLZNJFAE-HOTGVXAUSA-N 406.301 3.520 0 50 HHAA O=C(O)c1ccccc1C(=O)c1ccc(Cl)c(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 5073384 CESIRSTWILZTFW-HUUCEWRRSA-N 409.825 3.725 0 50 HHAA CN(Cc1ccsc1)Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1 11912728 DBLUVPNFQOOVNM-GOSISDBHSA-N 415.588 3.838 0 50 HHAA Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H](N(C)CCc2ccccc2)C1 11933631 BIGDQSQTTORBCH-JOCHJYFZSA-N 404.558 3.900 0 50 HHAA O=C1NC(=O)[C@@](CCc2ccccc2)(C2CCN(Cc3c[nH]c4ccccc34)CC2)N1 12149212 DSRAUTYFPBUNQO-RUZDIDTESA-N 416.525 3.591 0 50 HHAA COc1ccc(CCC(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cc1OC 12439070 SLLDGWIEDGBANQ-QFIPXVFZSA-N 410.558 3.802 0 50 HHAA Cc1nc(C(=O)NC[C@@H]2CCC3(CCN(CCCc4ccccc4)CC3)O2)cs1 14984806 SLNGDTNXTUTPBK-FQEVSTJZSA-N 413.587 3.828 0 50 HHAA O=C1c2cc(Cl)ccc2-c2cccc(C(=O)N3CCC(=O)N(CC4CC4)CC3)c21 14988501 DZJCDAFDQMALSM-UHFFFAOYSA-N 408.885 3.636 0 50 HHAA O=C(CCC1CCN(Cc2c[nH]nc2C2CCCCC2)CC1)NC[C@@H]1CCCO1 15068057 OOSUNLBVPLJBJO-NRFANRHFSA-N 402.583 3.745 0 50 HHAA CC/C(NCCc1ccc(F)cc1)=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 20109943 XTTGIZPJTVCNIZ-VXPUYCOJSA-N 413.493 3.591 0 50 HHAA Cc1noc(C)c1COc1ccc(C(=O)Nc2ncn(Cc3cccc(F)c3)n2)cc1 20617517 WMLYQFGGEULCOB-UHFFFAOYSA-N 421.432 3.902 0 50 HHAA COc1ccc2[nH]c(CN3CCN(Cc4ccccc4C)[C@@H](CCO)C3)c(C)c2c1 23358162 YUMOPPHCFNXVKE-NRFANRHFSA-N 407.558 3.862 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCCN(Cc2cccs2)CC1 41936600 ZPLYWYYKTNBXBA-UHFFFAOYSA-N 408.571 3.828 0 50 HHAA CC(C)(C)OC(=O)N1CCCN(C2CCN(C(=O)OCc3ccccc3)CC2)C1=O 71788935 NYQCUUBBNRNJGK-UHFFFAOYSA-N 417.506 3.850 0 50 HHAA COc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCCN2C3=O)c(OC)c1 169766131 FQYCDYDWULJEEE-NRFANRHFSA-N 409.486 3.748 0 50 HHAA Cc1cn2nc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2c(N2CCCC2)n1 169768732 XDZCCPPHQXXLEA-UHFFFAOYSA-N 403.408 3.587 0 50 HHAA Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 169772956 KIVCQMZIQMOTKV-LBPRGKRZSA-N 413.275 3.625 0 50 HHAA N[C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1 170673825 MJULFQGSWHUCEO-FQEVSTJZSA-N 416.449 3.577 0 50 HHAA CC(C)n1cc2c(n1)[C@H](NC(=O)c1ncoc1-c1ccc3c(c1)OCCO3)CCC2 780427008 MPWPPVKGUQGTTK-MRXNPFEDSA-N 408.458 3.698 0 50 HHAA COc1cccc(-n2cc(CNCc3c(-c4cc(C)on4)nn(C)c3Cl)cn2)c1 952872083 HUNRPFXBYFOSJS-UHFFFAOYSA-N 412.881 3.521 0 50 HHAA Cc1nc(C(=O)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cs1 952979342 ILIUWUNASZSCBI-UHFFFAOYSA-N 404.845 3.871 0 50 HHAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1506429732 UJSDTICMUFRRAN-HXUWFJFHSA-N 412.453 3.520 0 50 HHAA C[C@@H]1C(=O)N2CCC[C@H]2CN1C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 1772711194 FXUFKWFNXVCWKS-QAPCUYQASA-N 403.457 3.876 0 50 HHAA COc1cc(Cl)cc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)c1 1857697767 LTTZDLPQHZMYRI-JOCHJYFZSA-N 413.905 3.842 0 50 HHAA CSc1nnc(CCCNc2ncnn3cc(Br)cc23)n1CC(C)C 2325839692 BGJVYIAEMHBELH-UHFFFAOYSA-N 424.372 3.506 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cccc(-n4cccn4)c3)C2)c2cccc(=O)n21 2356143121 VVQJYRRBQWWKTE-ZVDOUQERSA-N 402.498 3.635 0 50 HHAA COc1ccc([C@@]2(O)C[N+]3=C(SCCC3)N2c2ccc(Br)cc2)cc1 624123 YNBGUGODZUPOHM-IBGZPJMESA-N 420.352 3.628 0 50 HHAA COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Cl 1128085 ANLIERSRPFPUBL-OQLLNIDSSA-N 421.236 3.643 0 50 HHAA COc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C(C)=O)c3ccccc32)c1 1174244 DAEAVKWGQROMRQ-PGAZUGQPSA-N 423.468 3.835 0 50 HHAA Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2882971 FGTSWLVFAPDTLH-KRWDZBQOSA-N 402.516 3.576 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 9063759 ZNFZLMOIZPFBRD-UHFFFAOYSA-N 408.907 3.776 0 50 HHAA O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccc1Br 11902853 FYRDYSYMHKWKTJ-UHFFFAOYSA-N 416.300 3.930 0 50 HHAA O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 13683035 QWUYCUAEBHKREF-UHFFFAOYSA-N 414.509 3.957 0 50 HHAA Cc1ccsc1C(=O)N1CCC2(CC[C@H](CNC(=O)c3ccccc3F)O2)CC1 14881260 BRNHMKOESBGEOJ-MRXNPFEDSA-N 416.518 3.779 0 50 HHAA CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 14889300 HYHKADFVSHZLPK-IBGZPJMESA-N 423.557 3.977 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1cccc(Cl)c1 39550978 PECYNMPOKKGGNH-CTNGQTDRSA-N 421.919 3.876 0 50 HHAA COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101875477 TXCVPJXFZGFUTA-ISZNXKAUSA-N 422.868 3.912 0 50 HHAA COC(=O)c1ccccc1-c1ccc(CN2CCC[C@@H](c3n[nH]cc3C(=N)O)C2)o1 328602515 BWPHRCXJHZVDQE-CQSZACIVSA-N 408.458 3.719 0 50 HHAA CC[C@@H]1C[C@]1(NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)c1cccc(C)c1 410181528 RUULIXPROWGMLB-KJXAQDMKSA-N 418.603 3.721 0 50 HHAA Cc1ccc([C@@H](NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c2cccnc2)cc1C 827992301 KJZTZYGZZAGIRI-HSZRJFAPSA-N 408.523 3.550 0 50 HHAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N[C@@H](C)CN1CCOCC1 952965335 GVDOYRGZFCGIBM-KRWDZBQOSA-N 408.498 3.771 0 50 HHAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2c(Cl)ccc(C)c2F)cc1OC 1529198643 JCYNTZJWNUACJY-TZIWHRDSSA-N 409.885 3.739 0 50 HHAA Cc1cc(OC(C)(C)C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc(C)c1Cl 1615964381 DPTTYSXCGFMRHO-MJGOQNOKSA-N 402.922 3.883 0 50 HHAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cn3c(C4CC4)nc4ccccc43)C1)CC2 1704299091 MPAJEFLFKLGJHB-DEOSSOPVSA-N 401.514 3.519 0 50 HHAA CC[C@@]1(C(=O)NCc2csc(C)n2)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(C)s1 1857679593 YQWFMYHZHGHXQU-XAUMDUMWSA-N 403.573 3.911 0 50 HHAA O=C(CNC(=O)c1ccco1)OCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 1051354 PSCQUWZMVODYTK-UHFFFAOYSA-N 413.813 3.625 0 50 HHAA CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)cc1 4139776 ZUFIZZCWBPYZKE-UHFFFAOYSA-N 418.559 3.775 0 50 HHAA Cc1cccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1C 4819647 LWGFUVFFUIPOEL-UHFFFAOYSA-N 400.422 3.727 0 50 HHAA CC(C)(C)c1ccc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 5025251 XBVXAUIFDHXDLF-QGZVFWFLSA-N 421.584 3.640 0 50 HHAA COc1cc2c(c(OC)c1)[C@@H](c1cc(OC)c(OC)cc1Br)CC(=O)N2 9559830 ULUABFXIPLOUMK-GFCCVEGCSA-N 422.275 3.958 0 50 HHAA O=C(CCC(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1)c1ccc(F)cc1 11661004 JBDCALGKAAPDQC-QHCPKHFHSA-N 419.443 3.911 0 50 HHAA COc1ccc(CNC2CCCCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12055353 NRXLYAYUOABZBJ-QHCPKHFHSA-N 412.574 3.989 0 50 HHAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccncc4)c3n2)cc1 13223972 ICVUJUOHNCWCFO-UHFFFAOYSA-N 409.396 3.668 0 50 HHAA O=C(O)c1c(Br)cc(Br)c(I)c1F 36532805 FDTYJBUCCPXGEW-UHFFFAOYSA-N 423.801 3.654 0 50 HHAA CCCc1c(OC[C@@H](O)CSc2cccc(C(=O)O)c2)ccc(C(C)=O)c1O 38990487 FWTHFQBEDBSWPB-OAHLLOKOSA-N 404.484 3.778 0 50 HHAA COc1cc(OC)cc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2Cl)c1 220962551 NVLFPJZRGXBIQB-UHFFFAOYSA-N 421.902 3.584 0 50 HHAA O=C(COCc1ccccc1Cl)N1CCC[C@@H](c2[nH]ncc2CN2CCCC2)C1 253419188 AUDRCXBTZQKOOB-QGZVFWFLSA-N 416.953 3.582 0 50 HHAA O=C(Nc1ccn(CCc2ccncc2)n1)C1(c2ccc(C(F)(F)F)cc2)CC1 467838288 GTSRKHOPUJFLKR-UHFFFAOYSA-N 400.404 4.210 0 50 HHAA O=C(N[C@@H](C(=O)O)[C@H](O)Cc1ccccc1)OCC1c2ccccc2-c2ccccc21 722975925 AVWRDMWEWHYRJC-DHIUTWEWSA-N 417.461 3.582 0 50 HHAA CCn1cc(CNC(=O)C[C@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)cn1 1857732686 AVUUMWWYHJENFD-CQSZACIVSA-N 401.898 3.621 0 50 HHAA O=C(C[C@@H](Cc1ccccc1)C(=O)O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 2325877662 WWQYWBXVWBIBLK-NFBKMPQASA-N 416.477 3.816 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3cc4c(OC)cccc4[nH]3)CC1)OCC2 2356157963 UHMDKTYPZPZNIH-UHFFFAOYSA-N 406.482 3.889 0 50 HHAA Cc1ccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)cc1 637414 OZYIQYPGLQZNGI-UHFFFAOYSA-N 420.538 3.657 0 50 HHAA COc1ccc(OC)c(C(=O)CSc2nnc(COc3ccccc3C)o2)c1 643435 IBZCWFDXYQCFSN-UHFFFAOYSA-N 400.456 3.949 0 50 HHAA CCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(OCC)cc(OCC)c2)cc1 1179753 VOHKWJJIBQRDCZ-UHFFFAOYSA-N 416.499 3.788 0 50 HHAA CC[C@@H](C)c1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 2859197 DJYZBIARJIRAKQ-OXQOHEQNSA-N 414.527 3.827 0 50 HHAA C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)C[S@@]3=O)[C@@H]1C 5058623 WQUZYPVODOEGGI-DKJVIKMTSA-N 424.566 3.896 0 50 HHAA Cc1cc(C)cc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)c1 5063681 DRPOCUOIVJMZKF-KRWDZBQOSA-N 402.903 3.961 0 50 HHAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)c2csc3nc(C)cn23)C1 11663244 SUDGXWFRDADBSR-CYBMUJFWSA-N 401.463 3.587 0 50 HHAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1 11663449 GSKRPYDSLLVIOX-HXUWFJFHSA-N 406.452 3.599 0 50 HHAA COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](N(C)CC(C)C)C4)c1 12041180 BPGOJUNFWXJYFX-KRWDZBQOSA-N 411.571 3.960 0 50 HHAA Cc1nnsc1C(=O)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 12197404 RYZJNUUULPNGPW-LJQANCHMSA-N 413.591 3.929 0 50 HHAA O=C(C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCCCCCC1 12206091 GTQMKZHRDJGUCV-DEOSSOPVSA-N 414.521 3.948 0 50 HHAA O=C(NCc1cccc(OC(F)(F)F)c1)c1coc(Cn2cnc3ccccc32)n1 12316247 QSDNKXWHSHXQIM-UHFFFAOYSA-N 416.359 3.901 0 50 HHAA COC1CCN(C(=O)CC[C@@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)CC1 12326248 ILSYGSBLRZHMAK-AREMUKBSSA-N 420.553 3.963 0 50 HHAA Cc1nc(CC(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 12572377 ZYNYKMHRXXFHNG-MRXNPFEDSA-N 419.978 3.983 0 50 HHAA COc1ccc(C(=O)[C@H]2CCCN(C3CCN(Cc4ccco4)CC3)C2)cc1F 12597069 BQURPLKOQPMSBZ-SFHVURJKSA-N 400.494 3.987 0 50 HHAA COc1cccc(N2C[C@@H]3C[C@@H](c4ccc5nsnc5c4)N4CCC[C@@]34C2=O)c1 12719110 YLSJXYKJYMFOOI-LVWPNOBMSA-N 406.511 3.642 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1 15934932 DEPMWOYNGJFUKL-UHFFFAOYSA-N 415.493 3.910 0 50 HHAA CC(C)(C)OC(=O)N1CCCN([C@@H](C(=O)O)c2ccc(Br)cc2)CC1 16123847 MULAGSYVTBFWGO-OAHLLOKOSA-N 413.312 3.518 0 50 HHAA COc1ccc(C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1OC 19790235 ZJFFTSJXPAGQKP-UHFFFAOYSA-N 408.420 3.681 0 50 HHAA Cc1cc2cccc(NC(=O)Cn3ncc(N(C)Cc4ccccc4)cc3=O)c2o1 20515941 DXOYXHBCMQIBDR-UHFFFAOYSA-N 402.454 3.573 0 50 HHAA CN1CCC(N2CCN(Cc3ccc(C4CCCCC4)s3)C[C@@H]2CCO)CC1 23373095 FBUKRQYEBSKTAZ-NRFANRHFSA-N 405.652 3.759 0 50 HHAA COc1ccc(-n2nc(NC(=O)C3(C)CC3)c3c(N4CCOCC4)cccc32)cc1 77302093 LVPIFTBQFUUUEW-UHFFFAOYSA-N 406.486 3.609 0 50 HHAA Cc1nc(CN(C)C(=O)c2cccc(OC3CCN(CC(C)(C)C)CC3)c2)no1 95521791 XTXRZCSRFPKBDY-UHFFFAOYSA-N 400.523 3.540 0 50 HHAA Cc1ccc(CNC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCCC3)cc1 169765624 RTXFYEHYBJZRFN-UHFFFAOYSA-N 403.526 3.993 0 50 HHAA C[C@@H]1OP(=O)([C@@H](NS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O[C@H]1C 230134879 YHWCSVVPGYKABM-ATZCPNFKSA-N 422.654 3.678 0 50 HHAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)cc1C 245311649 PNWRSFZTCKAQCO-IVAOSVALSA-N 422.912 3.792 0 50 HHAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1sc(-n2cccc2)nc1C 263585676 LGYOXWNKQJVQNI-RBUKOAKNSA-N 416.591 3.595 0 50 HHAA biogenic COCCN1C(=O)C[C@@H](CNC/C(C)=C/c2ccccc2)[C@@H]1c1cnn(C(C)C)c1 328602135 AKUSRIYTCBTWTD-WCDARTDXSA-N 410.562 3.693 0 50 HHAA Cn1c(=O)n(C)c2cc(-n3cc(O)c(-c4nc(-c5ccccc5)cs4)c3N)ccc21 409413943 WRTDCQAGVBKLOZ-UHFFFAOYSA-N 417.494 3.746 0 50 HHAA Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cnc(-c3ccccc3)nc1)CCC2 444069183 INDPSMUVPZNGKM-KRWDZBQOSA-N 400.529 3.607 0 50 HHAA Cc1cc(I)cc(C(=O)NC[C@@H](CCO)CC(C)C)c1C 482701789 ZIKXREPZJIGARV-AWEZNQCLSA-N 403.304 3.683 0 50 HHAA Oc1nc(-c2cccnc2)nc2c1CC[C@]21CCCN(c2nccc3ncccc23)C1 1857701315 SAYBULDGGRONRI-DEOSSOPVSA-N 410.481 3.672 0 50 HHAA Cc1nc2c(c(=NCc3ccccc3)[nH]1)CCC21CCN(C[C@H]2CCCOC2)CC1 1857703647 UYUKTPPFBGJKDG-OAQYLSRUSA-N 406.574 3.525 0 50 HHAA Cc1c(CNC(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)noc1-c1ccccc1 2325819187 ZLEUMEUFFYLIFD-UHFFFAOYSA-N 423.444 3.833 0 50 HHAA O=C(Nc1nc2cc(Cl)cc(Cl)c2[nH]1)[C@@H]1CCCN(C(=O)c2ccccn2)C1 2325828232 BNABXEJDOFLTFK-LLVKDONJSA-N 418.284 3.756 0 50 HHAA O=C(C1CCN(Cc2ccccc2F)CC1)N1CCN(C/C=C/c2ccccc2)CC1 795507 DMVCWJPNZDSXKX-RMKNXTFCSA-N 421.560 3.895 0 50 HHAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4cn(C)nc4C)c3n2)cc1 815331 BKYHVWIUPAABHD-UHFFFAOYSA-N 410.428 3.614 0 50 HHAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1cc(Cl)ccc1Cl 1002083 VFLDGMVWIZYWLD-UHFFFAOYSA-N 414.241 3.815 0 50 HHAA Cc1c(C(N)=O)sc(NC(=O)Cc2c(F)cccc2Cl)c1C(=O)OC(C)C 1002820 CQLLYKALFNMTEB-UHFFFAOYSA-N 412.870 3.694 0 50 HHAA Cc1ccccc1CN(c1ccc(C(=O)NCc2ccccc2)cc1)S(C)(=O)=O 1145351 VHJGFWUCBQLNIO-UHFFFAOYSA-N 408.523 3.891 0 50 HHAA CCOc1cc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)ccc1OC 11838323 JLXSEKZFCPNYQI-SFHVURJKSA-N 400.494 3.875 0 50 HHAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3ccccc3OC(F)F)C2)CC1 12074354 KZXLZAOUTRRLDT-SFHVURJKSA-N 423.548 3.833 0 50 HHAA Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3cscn3)c2)s1 12304195 NSGFLPOCFWQFMK-MRXNPFEDSA-N 413.528 3.603 0 50 HHAA CSCCC(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@H]1CCCO1 12373615 TYAAEYJQIKLLIL-JOCHJYFZSA-N 404.620 3.968 0 50 HHAA COc1ncc(C(=O)N2CC[C@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)cn1 12596615 OBSPHOBRTDVXET-DEOSSOPVSA-N 408.546 3.737 0 50 HHAA Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccn4-c4nccs4)N4CCC[C@@]34C2=O)o1 12701957 XSESKAFHAVBPCY-BPXKWBHBSA-N 408.527 3.773 0 50 HHAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2cccc(F)c2)CC1 20613882 BTKJDYCVDWLPMP-UHFFFAOYSA-N 403.306 3.639 0 50 HHAA CC(C)[C@@H](NC(=O)c1ccc(-c2nnn(C(C)C)n2)cc1)c1nc2ccccc2n1C 223215816 YMNQZUWBHRRMBM-HXUWFJFHSA-N 417.517 3.935 0 50 HHAA Cc1cc(C)cc([C@H](O)CNC(=O)c2ccc(F)cc2I)c1 225772138 COZBEMGVZPQALI-MRXNPFEDSA-N 413.230 3.511 0 50 HHAA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC(c2nc(-c3cccnc3)no2)C1 227155498 ZMEFUAJBVBJMPQ-UHFFFAOYSA-N 418.478 3.587 0 50 HHAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 241231061 KRQYRPUMPHQIET-DIGZDBFMSA-N 405.542 3.961 0 50 HHAA COC(=O)c1ccccc1NC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 253369348 BHLCSNOXDNLSFX-YHDSQAASSA-N 409.530 3.900 0 50 HHAA COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@H](NC(=O)C(C)(C)C)C(C)C 409970691 KHRGSPAYWVKGAI-MLGOLLRUSA-N 413.356 3.822 0 50 HHAA Cc1ccc2c(c1)N(C(=O)c1ccc3c(=O)n4c(nc3c1)CCCCC4)C[C@@H](C)O2 477552306 KHRSGXBENWEAKK-MRXNPFEDSA-N 403.482 3.859 0 50 HHAA C[C@@](NC(=O)CCC(=O)c1ccccc1)(C(=O)O)c1cccc(Br)c1 776651558 KWTWIWQEUCPDER-IBGZPJMESA-N 404.260 3.528 0 50 HHAA c1ccc2c(-c3ncc(CN4CCC[C@@H](CN5CCOCC5)C4)cn3)cccc2c1 827603753 SUFABRPYNLVGHL-FQEVSTJZSA-N 402.542 3.841 0 50 HHAA CC(C)N(CCNS(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1)C(C)C 1309015559 APKNIMZTSRCNSJ-UHFFFAOYSA-N 408.539 3.802 0 50 HHAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3csc(-c4ccccc4)n3)C1)CC2 1704335571 OQRZJHFCXGMPNE-QHCPKHFHSA-N 404.539 3.958 0 50 HHAA O=C(CCOc1ccccc1)NC[C@@H]1CCC[C@H](NC(=O)c2ccncc2Cl)C1 1857689453 QDXODNRRZZJTEU-SJORKVTESA-N 415.921 3.609 0 50 HHAA C[C@H]1CCN(c2cc(C(=O)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccn2)C1 1875343666 QHYJSTJESXIZTF-KRWDZBQOSA-N 421.522 3.714 0 50 HHAA COc1cccc(C(=O)Nn2c(COc3ccccc3C)nc3ccccc3c2=O)c1 1166773 QDPSNZAUWIQJAJ-UHFFFAOYSA-N 415.449 3.676 0 50 HHAA CCn1ncc(S(=O)(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1C 2804905 PLBRNAFSWCIMDD-UHFFFAOYSA-N 407.927 3.527 0 50 HHAA O=C(O)c1ccc(C(=O)O)c(OC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c1 4991895 OGRSYSBBLFHKLH-UHFFFAOYSA-N 406.346 3.521 0 50 HHAA O=C(NCCc1cn[nH]c1)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 11662583 MBSYUMGBHVZGFY-UHFFFAOYSA-N 416.953 3.821 0 50 HHAA CN(Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2cccc(F)c2)cc1 12076205 XJIXUZMUXVQFHE-DEOSSOPVSA-N 408.517 3.987 0 50 HHAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)c2csc(C)n2)C3)n1 12149583 QJKANFRAOWDSIM-UHFFFAOYSA-N 411.483 3.566 0 50 HHAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1 12612209 ZAJVSQQCVRSNIM-IBGZPJMESA-N 402.432 3.991 0 50 HHAA COc1ccc(C(=O)NC[C@@H]2Cc3cc(-c4ccc(C)cn4)ccc3O2)c(OC)c1 14888139 ZDGSWNLLYSTVKM-IBGZPJMESA-N 404.466 3.808 0 50 HHAA COc1ccc(C[C@@]2(CCC(=O)N[C@H](c3ccco3)C(F)(F)F)CCC(=O)N2)cc1 14987325 YYIYIEVPHZLKFF-WOJBJXKFSA-N 424.419 3.680 0 50 HHAA C[C@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)nc1N1CCOCC1 15001549 SVWLUAFFIJAZMR-SFHVURJKSA-N 402.498 3.604 0 50 HHAA O=C(NCc1cn2cccnc2n1)c1ccc2oc(CCCc3ccccc3)nc2c1 15074545 XABOGBOYEKRDHY-UHFFFAOYSA-N 411.465 3.976 0 50 HHAA CCOC(=O)COc1ccccc1C(=O)c1ccn2nc(-c3ccccc3)cc2n1 43214612 WUNGBLMQHHDLBS-UHFFFAOYSA-N 401.422 3.569 0 50 HHAA Cc1nc(C)c(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)s1 55153362 KMXIHWHENWMZKM-IBGZPJMESA-N 418.994 3.840 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(Cc2cnc(SC)nc2)C1 55569005 QHNLWPDXPLZHIK-OAQYLSRUSA-N 403.523 3.726 0 50 HHAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1nc(-c2ccccn2)cs1 61719832 CJEJPOHODZAHEP-UHFFFAOYSA-N 423.885 3.721 0 50 HHAA CCC(CC)CN1CC2(CCN(C(=O)c3c(F)cc(OC)cc3F)CC2)OC1=O 77455068 BYZOTYHNNJTGIC-UHFFFAOYSA-N 410.461 3.837 0 50 HHAA O=C(NCCN1CCCC1)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77554124 XLFGSCTVZMGKCR-UHFFFAOYSA-N 410.562 3.544 0 50 HHAA O=C(COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(Cl)cc1 100635597 RLCLQYOWGDOQQY-LATRNWQMSA-N 407.853 3.913 0 50 HHAA Fc1cccc(Cc2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)c1 169780525 XJAAMNMAVJWCKQ-KRWDZBQOSA-N 411.824 3.983 0 50 HHAA CCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1C 170623919 ANUMJXVWSAQDLV-UHFFFAOYSA-N 408.951 3.948 0 50 HHAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 772239260 ZWUNGMYIAFVWCJ-OAHLLOKOSA-N 423.460 3.984 0 50 HHAA COc1ccc(-c2n[nH]c(C)c2CC(=O)N(C)C[C@H]2CCCN3CCCC[C@@H]23)cc1 888088461 BAESOZMHMPOBGQ-KNQAVFIVSA-N 410.562 3.659 0 50 HHAA COCCNc1nc2cc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)ccc2n1C 1506412266 BBCSJEPYSPHECS-UHFFFAOYSA-N 409.465 3.524 0 50 HHAA COc1ccccc1-c1ccc(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1 1857728794 DNBYVPVIGQNVCG-HOKHCIIBSA-N 420.509 3.560 0 50 HHAA NC[C@@H]1CCCC[C@]12NC(=O)N(Cc1cc(-c3cccc(F)c3F)ccc1F)C2=O 1875309765 MJKHTHQGAGYOIA-NYHFZMIOSA-N 417.431 3.710 0 50 HHAA O=C(Nc1cnn2cccnc12)N1CCC[C@@H]1Cc1ccc(OC(F)(F)F)cc1 2325818707 STYICYAHLAJKHQ-CQSZACIVSA-N 405.380 3.867 0 50 HHAA Cc1cc([C@H](O)[C@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1F 2325861077 DZMMAYIVZWPDCH-PDIWNELESA-N 420.484 3.844 0 50 HHAA CCCN(CCC)C(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 715857 ZEXGDKWOBNAQGP-UHFFFAOYSA-N 421.497 3.574 0 50 HHAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1OC 1169040 LRLRSYQTSICKAK-GOSISDBHSA-N 416.861 3.686 0 50 HHAA COCCCn1c(S)nnc1-c1cc(Br)c(Br)s1 2788983 OTMPERVTKJHTQX-UHFFFAOYSA-N 413.160 3.857 0 50 HHAA O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)CCC1=O 2879637 LBWLSXSILLQFKY-UHFFFAOYSA-N 421.678 3.809 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@H]2C)c(OC)c1OC 5223329 ZNLOZQFWYMUGDC-OAHLLOKOSA-N 412.486 3.979 0 50 HHAA biogenic,in-vitro COc1ccc(C(=O)NC2CC2)cc1OC1CCN([C@H](C)Cc2ncccc2C)CC1 11937342 GPWRSBWFDTYYSX-GOSISDBHSA-N 423.557 3.765 0 50 HHAA Cc1ccc(OCC(=O)NC[C@@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)cc1 12051607 LLSZKZCFXSIHLC-IBGZPJMESA-N 409.873 3.604 0 50 HHAA COc1ccc(CC(=O)NC[C@H]2Cc3cccc(-c4ncccc4C)c3O2)cc1OC 12186088 GODBFVNPBMZAPJ-LJQANCHMSA-N 418.493 3.737 0 50 HHAA O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCCCCCC1 12206081 GTQMKZHRDJGUCV-XMMPIXPASA-N 414.521 3.948 0 50 HHAA COc1ccccc1/C=C/CN1CCC[C@H](CNC(=O)c2n[nH]c3ccccc23)C1 12316992 NGSVQXLDIUZZGZ-RUJXFNLJSA-N 404.514 3.727 0 50 HHAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(F)(F)F 12571195 WWAWBPBEZVBSGY-KRWDZBQOSA-N 412.496 3.683 0 50 HHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)C(=O)c2ccccc2)C1 15078692 DHZOILFUQPQKJV-DEOSSOPVSA-N 409.482 3.510 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)cc3)n2)ccc1C 16626687 PMIFXVKZWYEZBQ-OAHLLOKOSA-N 422.460 3.906 0 50 HHAA CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ncccc3C)n2C)cc1 17440363 RZJMLMIFNXRNEF-HNNXBMFYSA-N 411.531 3.952 0 50 HHAA CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 19884308 HBWOOSBWRJGZLK-KBPBESRZSA-N 420.506 3.779 0 50 HHAA Cn1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c(-c2ccccc2)n1 22852998 UQECSUXYMZJBMK-RUZDIDTESA-N 418.585 3.589 0 50 HHAA Cn1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 23145154 UQECSUXYMZJBMK-VWLOTQADSA-N 418.585 3.589 0 50 HHAA O=C1N(Cc2ccccc2)C(c2ccccc2)=N[C@@]1(Nc1ncccn1)C(F)(F)F 40267626 HHZQABCGNKLLEA-FQEVSTJZSA-N 411.387 3.636 0 50 HHAA CCOC(=O)c1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1 54254192 YGGOOACURLFNCK-RMKNXTFCSA-N 409.555 3.891 0 50 HHAA COc1ccc(N[C@@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1OC 55325161 HFHVUMHYWXULLZ-QGZVFWFLSA-N 402.564 3.837 0 50 HHAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ncn2)n1 65365116 DITSGWKBAYOVKX-UHFFFAOYSA-N 418.545 3.539 0 50 HHAA CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 67602027 GFFRTQKELLTWEY-UHFFFAOYSA-N 401.514 3.846 0 50 HHAA O=C1CCC(=O)N1c1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2 100817158 RWEIRVOZDJGCAW-KRWDZBQOSA-N 405.845 3.641 0 50 HHAA O=C(c1ccc(SCc2cn3ccccc3n2)cc1)N1CCCN(C2CC2)CC1 149048270 GXBAKOXUDIMVMZ-UHFFFAOYSA-N 406.555 3.937 0 50 HHAA Cc1ccc(-n2c(C3CCN(C(=O)c4cc(Cl)ccc4F)CC3)n[nH]c2=O)cc1 169780290 GSVROOZUPOXFQB-UHFFFAOYSA-N 414.868 3.681 0 50 HHAA O=C(c1ccc(F)cc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169780572 RRAYIRXSRAJDIQ-UHFFFAOYSA-N 418.432 3.612 0 50 HHAA Cn1cc([C@H]2[C@H](CNCc3cccc(-c4cccnc4)c3)CC(=O)N2C(C)(C)C)cn1 328606738 SRZVUQUAJCARND-XUZZJYLKSA-N 417.557 3.960 0 50 HHAA CN(C)C(=O)c1cccc(N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 1704310005 WAAWIEIUQYJHOS-VWLOTQADSA-N 413.525 3.725 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(Cc4cscn4)C3)[C@@H]3CCCC(=O)N23)c1 2356144876 PQRUTUFNVYXQMT-KSCDAYEDSA-N 411.571 3.596 0 50 HHAA CCc1oc2cc(O[C@@H](C)C(=O)OC)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 630393 AERIAYTYXLBWKK-ZDUSSCGKSA-N 410.422 3.734 0 50 HHAA biogenic Cc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 1152089 UDANQTLTMFDQAL-GOSISDBHSA-N 412.795 3.915 0 50 HHAA COCCn1c(C)cc(C(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)c1C 3441936 HMRDFWFTNOMLLL-UHFFFAOYSA-N 400.504 3.520 0 50 HHAA CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C)c3OC)cc2Cl)CC1 4412866 NMAWLHSOPRFPQT-UHFFFAOYSA-N 415.921 3.968 0 50 HHAA COc1cccc(C(=O)NC(NC(=O)c2cccc(OC)c2)c2ccc(F)cc2)c1 4832821 REZCRJCXGBOVSZ-UHFFFAOYSA-N 408.429 3.702 0 50 HHAA O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)NCCOc1ccccc1 5077788 KPYCVRCOLDMYIO-UHFFFAOYSA-N 413.543 3.825 0 50 HHAA O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cn(CCCc2ccccc2)nn1 11759666 ZDOMLHDYGWJZOU-XMMPIXPASA-N 417.557 3.868 0 50 HHAA COc1cccc(-c2cn3c(C(=O)N(C)Cc4cnc5ccccn45)csc3n2)c1 11936372 OPEBEXSVFWZJSN-UHFFFAOYSA-N 417.494 3.991 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CCc2cnn(C)c2)CC1 12072486 RONBNTWGCLQAOV-UHFFFAOYSA-N 411.546 3.548 0 50 HHAA O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)CC1 12475231 FWHXLJLYGGEMKO-OAQYLSRUSA-N 422.500 3.686 0 50 HHAA Cc1cccc([C@@H]2CCCN(C(=O)C[C@]3(c4ccccc4F)CC(=O)N(C)C3=O)C2)c1 14879844 ILWZZIOCYXWARN-CLOONOSVSA-N 422.500 3.557 0 50 HHAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C2)c1 15936603 GEQPPDSGGJGCMC-AWEZNQCLSA-N 409.408 3.951 0 50 HHAA O=C(CSc1nnc(-c2ccco2)n1C[C@@H]1CCCO1)Nc1ccccc1F 17082377 HQXHRBTYPCKRDI-ZDUSSCGKSA-N 402.451 3.587 0 50 HHAA COc1ccccc1CCC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 20599244 QFOHONOLSKIYTE-QGZVFWFLSA-N 407.436 3.827 0 50 HHAA OCC[C@H]1CN(C2CCN(c3ccccc3)CC2)CCN1Cc1ccc(F)c(F)c1 20600937 LOGUSFOQXAHZOA-QFIPXVFZSA-N 415.528 3.502 0 50 HHAA COc1cc(C)c(Br)cc1S(=O)(=O)NCc1ccccc1Cl 170615045 QZEUHYCTQILFMV-UHFFFAOYSA-N 404.713 3.898 0 50 HHAA C[C@@H]1[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C[C@H]2C[C@H]1C2(C)C 241338529 MBLHPHOEBDBRME-KNIMUDFMSA-N 423.550 3.840 0 50 HHAA Cc1cccc([C@@H]2CCCN2C(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1C 253417377 RUOHROXEBSFLDS-QUCCMNQESA-N 402.535 3.993 0 50 HHAA COc1ccc([C@H]2Cn3cnc(C(=O)N[C@H](C)c4ccc(OC)cc4)c3CO2)cc1 263619380 YMGYIFLTFUKOPV-QVKFZJNVSA-N 407.470 3.663 0 50 HHAA FC(F)(F)c1cnc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 263640019 TUEAJHFNYUOXGP-UHFFFAOYSA-N 413.827 3.800 0 50 HHAA CCN(CC)CCO[C@H]1CCN(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1 437774386 NOZUGSLQJKYEEA-FQEVSTJZSA-N 413.566 3.762 0 50 HHAA O=C(c1cnc(-c2ccccn2)nc1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506421373 OXZJBIKFTNVFLI-UHFFFAOYSA-N 402.433 3.574 0 50 HHAA CC1(C)COc2c(CN3CC[C@H](O)[C@](CO)(Cc4ccccc4)C3)cc(Cl)cc21 1529189343 MTYKGDHEICBGKY-XUZZJYLKSA-N 415.961 3.798 0 50 HHAA CC(C)(C)[C@H]1CN(C(=O)c2ccc(N3CCOCC3)nc2)C[C@@H](c2ccccc2)O1 1857735702 HFBDGUOHNGRWFI-LEWJYISDSA-N 409.530 3.547 0 50 HHAA NC(=O)N1CCC(C(=O)N[C@@H](c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)CC1 1875252927 RXWXXNQGXRLEEG-SFHVURJKSA-N 423.410 3.841 0 50 HHAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccccc3OCCc3ccccc3)CC2)C1 2356153826 WUFLMESMBGPMJC-XMMPIXPASA-N 409.526 3.844 0 50 HHAA Cc1ccc(C(=O)Nc2c(C(=O)NCc3ccco3)cnn2-c2ccccc2)cc1 708145 JKGMUPVIASBWCT-UHFFFAOYSA-N 400.438 3.956 0 50 HHAA O=C(COc1ccc(Br)cc1Br)NCCc1ccccc1 752060 ZYSZQZICBJKKLK-UHFFFAOYSA-N 413.109 3.949 0 50 HHAA COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)O)c(OC)c1 1137652 HNIUEZVAIMRSMQ-UHFFFAOYSA-N 420.421 3.907 0 50 HHAA O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)o1 1445910 YBEJFGFDDVLIGB-UHFFFAOYSA-N 401.422 3.614 0 50 HHAA CCCC[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 5707945 BUIZSEHOJHEYPY-GOSISDBHSA-N 413.857 3.921 0 50 HHAA COc1ccc(-c2nc3s/c(=C/c4ccc(Cl)c(Cl)c4)c(=O)n3n2)cc1 6245200 HPCPPZNVCGJBIW-OQLLNIDSSA-N 404.278 3.681 0 50 HHAA COCCCNC(=O)c1cc(NC(=O)C(C)C)cc2nc(C)n(Cc3ccccc3)c12 12053172 OOTNSDODVSEWSL-UHFFFAOYSA-N 422.529 3.754 0 50 HHAA COc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCCc2ccccc2)cc1O 12155246 XUYKVBYVNQAOLX-OAQYLSRUSA-N 408.542 3.752 0 50 HHAA COc1ccc(OC)c2nc(N3CCOCC3)c(CNCc3cccc(F)c3)cc12 12219242 JNKHXYKVDCLJLV-UHFFFAOYSA-N 411.477 3.518 0 50 HHAA Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)c(F)c1F 12315294 MUZCTKRIPNVCBX-KRWDZBQOSA-N 404.432 3.510 0 50 HHAA COc1ccc(-c2nc(CN3CCC[C@H](CN4CCCC4=O)C3)c(C)o2)c(OC)c1 12588182 HGZSBEBWQAVVOI-KRWDZBQOSA-N 413.518 3.502 0 50 HHAA CO[C@H]1CN(Cc2cccc(Oc3ccccc3)c2)CC(=O)N(Cc2cccnc2)C1 14539584 ZASYPWYXPYAKEA-DEOSSOPVSA-N 417.509 3.733 0 50 HHAA COC(=O)CCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 14965458 XTHRQWKMKQLVJK-HXUWFJFHSA-N 408.498 3.792 0 50 HHAA Cc1ccsc1C(=O)N[C@@H](C)c1nnc(SCCOc2ccc(F)cc2)n1C 14998226 RDJUMBNJLXZVTP-ZDUSSCGKSA-N 420.535 3.986 0 50 HHAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)[C@H]2CC=CCC2)C3)cc1 15003345 AKHAUYHMGYXMRY-PKOBYXMFSA-N 411.523 3.533 0 50 HHAA CN(C)c1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 17748664 XJZKCVJTEHSOTL-UHFFFAOYSA-N 414.556 3.660 0 50 HHAA COc1cccc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c1OC 23361237 YGTIVCXUPNNMTL-FQEVSTJZSA-N 413.537 3.630 0 50 HHAA O=C(NCc1ccccc1)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 33271759 HRDYVOKOBWHSQA-UHFFFAOYSA-N 415.350 3.879 0 50 HHAA CCOc1ccc([C@@H]2Cn3nnc(-c4nc(-c5cccc(C)c5)no4)c3CO2)cc1 169773167 ZHSXPZIPMIBRGD-IBGZPJMESA-N 403.442 3.974 0 50 HHAA Cc1ccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1N1C(=O)CNC1=O 225439116 NWMJGZMTVZPYQK-WEVVVXLNSA-N 403.360 3.722 0 50 HHAA O=C(NC[C@@H](O)c1ccccc1F)Nc1cc2ccccc2nc1Br 225443269 WEBDQXSCNCKPGS-MRXNPFEDSA-N 404.239 3.992 0 50 HHAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 238901298 LFJOVMNQTHWWAF-LNSITVRQSA-N 422.399 3.855 0 50 HHAA CCOc1ccc([C@@H](COC)N2C(=O)[C@@H](Cc3cccc(Cl)c3)N=C2O)cc1 328595067 JVXXJJPOLGDFSC-RTBURBONSA-N 402.878 3.794 0 50 HHAA O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1nnc(O)c2ccccc12 745884067 YAMHFJSVTDNZIL-UHFFFAOYSA-N 411.502 3.986 0 50 HHAA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 773193241 ZOGISONHTNUGTR-NRFANRHFSA-N 418.541 3.913 0 50 HHAA NC(=O)NC1CCC(C(=O)N[C@@H](c2cccnc2)c2cccc(C(F)(F)F)c2)CC1 1875254377 OBSUFRNQUUMQIA-ZTUNLMCQSA-N 420.435 3.533 0 50 HHAA Cn1nncc1-c1cs/c(=N\c2ccccc2)n1[C@@H]1CCN(C(=O)C2CCCC2)C1 1875255833 IOLQIURRKXUOQY-FNWSHLARSA-N 422.558 3.541 0 50 HHAA FC(F)Cn1ncnc1CSc1nnc(-c2ccncc2)n1Cc1ccccc1 1875265347 KZBNIUDCKZDZSC-UHFFFAOYSA-N 413.457 3.537 0 50 HHAA COC(=O)c1coc2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)[nH]c12 2325822684 IVCPPDDYXLJWPW-UHFFFAOYSA-N 402.834 3.885 0 50 HHAA O=C(c1ccc2nn[nH]c2c1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1ccccc1 2356162102 XOROPSUQDHANPP-SHBJFUFKSA-N 415.541 3.516 0 50 HHAA Cc1sc2ncn(CC(=O)NCc3ccco3)c(=O)c2c1-c1ccc(Cl)cc1 812689 NYBBGVNWLNBIQL-UHFFFAOYSA-N 413.886 3.996 0 50 HHAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)o1 955328 IMHOXJMULUGIHH-FQEVSTJZSA-N 406.442 3.632 0 50 HHAA Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c2ccccc2c1=O 2428550 WLYLJKFVTOZVJO-UHFFFAOYSA-N 424.504 3.563 0 50 HHAA COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCCOc1ccccc1Cl 5101973 NVJJZZGLWDYGPW-BOPFTXTBSA-N 404.875 3.945 0 50 HHAA Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 6700628 RQLSRLFVDLPILU-CYBMUJFWSA-N 400.422 3.807 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)c(C)c1 11697680 QWNAYXXCONPXHO-UHFFFAOYSA-N 403.490 3.586 0 50 HHAA O=C1CC[C@](CCC(=O)N2CC[C@@H](c3ccccc3F)C2)(Cc2cccs2)N1 11998998 QBMPOKVKFPWIAF-ZHRRBRCNSA-N 400.519 3.875 0 50 HHAA OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc3c(c2)OCCO3)CC1 12758276 IULOTDNHUQHDAW-UHFFFAOYSA-N 406.482 3.682 0 50 HHAA CCOCCCN[C@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c23)C1 15069327 OVNFLLHYWBWVIS-SFHVURJKSA-N 411.571 3.688 0 50 HHAA C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 17082276 WEPTUDPQCUPMGC-HNNXBMFYSA-N 401.557 3.619 0 50 HHAA CS(=O)(=O)c1ncc(CN2CCc3sccc3C2)n1CCCc1ccccc1 20538654 VPIDAKSREHMNLD-UHFFFAOYSA-N 415.584 3.539 0 50 HHAA CCn1cc(-c2cc(C(=O)N3CCC[C@@H]3c3nc(C)no3)c3ccccc3n2)cn1 63833244 MZUFLOUJBIDWPN-HXUWFJFHSA-N 402.458 3.787 0 50 HHAA O=C(c1ccc(O)nn1)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67934834 WBGAKSIVHYEMJV-UHFFFAOYSA-N 419.462 3.804 0 50 HHAA O=C(O)[C@H]1CCCN([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 72194177 VWTJKXUNEWVTKH-ROUUACIJSA-N 420.509 3.806 0 50 HHAA C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)o1 170672716 VRCWFFKZJGIMTG-QRWLVFNGSA-N 424.497 3.911 0 50 HHAA CCCOC(=O)[C@H]1[C@@H]2C(=O)N(C(c3ccccc3)c3ccccc3)C[C@@]23C=C[C@H]1O3 226487366 WFWZUJHWDQHSNP-YCFYUYSTSA-N 403.478 3.511 0 50 HHAA CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)C1 229764614 CKZGEUCGLQACRO-VIZSFHNOSA-N 413.606 3.675 0 50 HHAA COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 252497021 PXLLAPFBZLMHMZ-HOTGVXAUSA-N 408.930 3.560 0 50 HHAA Cc1ccc(C2(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)CCOCC2)cc1 427342810 RXTRLIQKMGTEKO-FQEVSTJZSA-N 412.917 3.618 0 50 HHAA C[C@@]1(CNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CCO[C@H]1C1CC1 466691831 QJZVQDPBHPGSQT-GMAHTHKFSA-N 413.539 3.596 0 50 HHAA C[C@@H](NC(=O)COC(=O)c1nnc(O)c2ccccc12)c1ccc(Cl)cc1Cl 745883812 LGEXDZAYMKFCMM-SNVBAGLBSA-N 420.252 3.676 0 50 HHAA CN(CCCOc1ccccc1Cl)C(=O)C1CCN(C(=O)c2ccccn2)CC1 952969647 JIXFWCNDZXJZCE-UHFFFAOYSA-N 415.921 3.515 0 50 HHAA C[C@H]1CCn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3ccccc3)nc2C1 1275153145 JUVWRPLVFVBBFQ-FXAWDEMLSA-N 424.545 3.900 0 50 HHAA COC[C@@H]1CCCN(S(=O)(=O)N(CCC2=CCCCC2)Cc2ccccc2)C1 1506420977 RQGHIZFMDGMHSJ-JOCHJYFZSA-N 406.592 3.982 0 50 HHAA O=C(NCc1ccc2sccc2c1)[C@H]1CC[C@@H](O)[C@H](Nc2ncc(Cl)cn2)C1 1857703809 SKOHJJAINDLKGV-USXIJHARSA-N 416.934 3.603 0 50 HHAA O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cn(Cc2cccnc2)nn1 1875260750 CYMKNXLILRUYGY-HYCNBMAASA-N 421.504 3.749 0 50 HHAA O=C(O)[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@H]21)c1ccc(F)c(F)c1 2325877394 QEVFGTLPKRJJAP-BASLNEPJSA-N 422.225 3.555 0 50 HHAA C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 1125581 YUOBYSBUSXEGJC-UKRRQHHQSA-N 408.955 3.835 0 50 HHAA COC(=O)c1ccccc1NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 4810962 PBENBIKZRNZMNG-UHFFFAOYSA-N 404.348 3.664 0 50 HHAA Cc1ccc(Cn2cc(Br)c(NS(=O)(=O)c3ccccc3)n2)cc1 6502361 UFOGNKJDCCAHQD-UHFFFAOYSA-N 406.305 3.803 0 50 HHAA Cc1ccc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)o1 12149019 YDTASUQYUXEYKL-SFHVURJKSA-N 413.547 3.678 0 50 HHAA CN(Cc1ncc[nH]1)C(=O)c1cccc(OC2CCN(CCc3ccccc3)CC2)c1 12432167 RGNCPHOJIXFSDE-UHFFFAOYSA-N 418.541 3.768 0 50 HHAA O=C(NC1CC1)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 17088514 HGKGBDROGUSSSG-HOTGVXAUSA-N 410.495 3.913 0 50 HHAA Cn1cc(CN2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c(-c2ccccc2)n1 39532074 ILHKSUJDCQOOLT-NRFANRHFSA-N 404.514 3.935 0 50 HHAA O=C(NCc1nc(-c2cccc(Cl)c2)no1)C1CCN(Cc2ccccc2)CC1 67602134 IWWJNABSKNYOMP-UHFFFAOYSA-N 410.905 3.918 0 50 HHAA C[C@@H]1Oc2ccc(NC(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)cc2NC1=O 170634157 XUVZIYKEWSTYAK-NSHDSACASA-N 416.359 3.863 0 50 HHAA C[Si](C)(C)/C=C(/Br)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 212518372 ZUKRUYLDSZRBJN-CSKARUKUSA-N 403.261 3.816 0 50 HHAA C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 225461705 FKKQMZMCZZKANE-KSSFIOAISA-N 418.925 3.901 0 50 HHAA O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1ccc(F)cc1 299773978 HCHXKLXRIKABNK-KRWDZBQOSA-N 404.869 3.879 0 50 HHAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)COc2ccccc2Cc2ccccc2)c1 328589384 BMAUOFPPFHCYTB-ISKFKSNPSA-N 417.505 3.999 0 50 HHAA Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)N1CCO[C@]2(CCCOC2)C1 483877427 RKCIMRGYPCVLRM-LJQANCHMSA-N 424.423 3.519 0 50 HHAA CCN1C(=O)CO[C@H](C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)[C@H]1c1ccccc1 496952776 XXIKDRRKNDOXIA-BWAGFHJFSA-N 412.917 3.645 0 50 HHAA CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CC(=O)N[C@H](CO)c1ccc(F)cc1)C2 771125081 GCLQJNVYPUKSRH-GBESFXJTSA-N 406.498 3.544 0 50 HHAA Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 827989718 ZSLJWLZMBDQEGJ-GVWLRFCXSA-N 404.938 3.813 0 50 HHAA O=C([C@@H]1C[C@H]2CCCCN2C1)N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952891590 AKSWNNKTHOIQCR-TZIWHRDSSA-N 408.521 3.863 0 50 HHAA O=C1CCOC2(CCN(C(=O)c3ccccc3)CC2)CN1CCCc1ccccc1 1704308269 GSNBUPNLRJUFAU-UHFFFAOYSA-N 406.526 3.543 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2Cc2cccc(Br)c2)C1 1875371493 CSDWKFAKVJUPBF-MJGOQNOKSA-N 419.363 3.797 0 50 HHAA CN(C(=O)/C=C/C=C(Cl)Cl)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(Cl)[nH]1 2325872531 BVDMRDKTVRYOKT-PZRAXBJESA-N 417.724 3.532 0 50 HHAA Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N2CCOCC2)cc1 635351 PMWVESRHMRMMHP-UHFFFAOYSA-N 418.902 3.973 0 50 HHAA COC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 951143 SFPBCWHFACINGT-UHFFFAOYSA-N 400.390 3.526 0 50 HHAA O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1nccs1 1058881 NHYIMFWRVWYNSU-UHFFFAOYSA-N 409.496 3.827 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2)c(OC)c1 1165802 NPPJZFOIUKBNFO-GOSISDBHSA-N 417.918 3.789 0 50 HHAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3n2)cc1 2770393 SRPLOFQXWUKECU-UHFFFAOYSA-N 410.428 3.659 0 50 HHAA Cn1ncc2c1ncn1nc(COc3ccc4cc(Br)ccc4c3)nc21 2800315 BJKSDCVOCJFHFQ-UHFFFAOYSA-N 409.247 3.506 0 50 HHAA Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H](N(C)CCc2ccccc2)C1 11933632 BIGDQSQTTORBCH-QFIPXVFZSA-N 404.558 3.900 0 50 HHAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCC3=CCCCC3)cc2)CC1 12704590 FRCMGAKQLPXFPS-UHFFFAOYSA-N 414.546 3.713 0 50 HHAA CCn1c(C(=O)OC)c(NC(=O)[C@H]2CCOC2)c2cc(NC3CCCCC3)cnc21 14535223 SLXUQNLAHYYVHP-AWEZNQCLSA-N 414.506 3.562 0 50 HHAA CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccc(O)c3)CC2)C1=O 14539566 YFOGBHAXQISYSD-UHFFFAOYSA-N 421.541 3.642 0 50 HHAA CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 17089156 NBCMBGKHRJMGEP-CVEARBPZSA-N 412.467 3.809 0 50 HHAA COc1ccc(CN2CCN(Cc3cccc(SC)c3)C[C@@H]2CCO)c(F)c1 23373594 BVBRCFFEJDSXBO-IBGZPJMESA-N 404.551 3.625 0 50 HHAA Cc1cccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 23382386 MBXFWKINGRXSJA-OAQYLSRUSA-N 411.465 3.856 0 50 HHAA Cc1ccc(-n2cccn2)c(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c1 39445450 GMRQTPIFZRPPEU-XMMPIXPASA-N 404.558 3.558 0 50 HHAA C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CCN(C)CC2)C1 55448174 SVQUCCGWWXMXEP-CQSZACIVSA-N 415.534 3.652 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn2)nc1 72434131 XNHKNKXGYFCIPF-UHFFFAOYSA-N 408.893 3.539 0 50 HHAA CC(C)c1noc(-c2ccn3c(CNC(=O)c4ccc(F)cc4Cl)nnc3c2)n1 169776269 WEBMHEHRXFMMFH-UHFFFAOYSA-N 414.828 3.625 0 50 HHAA CC(C)c1noc(-c2cn(C3CCN(C(=O)Cc4cccc(Cl)c4)CC3)nn2)n1 169777508 OQISKYVJZPFAAC-UHFFFAOYSA-N 414.897 3.511 0 50 HHAA CCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(OC)c1 170618385 JWCJUMJJKCWLQV-FQEVSTJZSA-N 415.515 3.545 0 50 HHAA COc1ccc(-c2csc3ncc(C(=O)Nc4nc(C)c(C)s4)c(=O)n23)cc1 170625667 JJSDJBPIIBKEPN-UHFFFAOYSA-N 412.496 3.757 0 50 HHAA Cc1nc(-c2ccc(C(=O)Nc3cccc(C(=O)N4CCC[C@H](O)C4)c3)cc2)cs1 442882314 LDMLGMKRCXJGMS-FQEVSTJZSA-N 421.522 3.968 0 50 HHAA c1ccc(C(c2ccccc2)c2noc(CCc3nc(-c4ncccn4)no3)n2)cc1 731787840 JZARUOSUWLBOGA-UHFFFAOYSA-N 410.437 3.875 0 50 HHAA CC(C)Cc1cc(CNC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)on1 821483334 HXUZCJSKKIIRSW-UHFFFAOYSA-N 416.481 3.566 0 50 HHAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)c1 822376062 JSYWZJNEUWWNPW-PSGXIZKFSA-N 419.529 3.728 0 50 HHAA C[C@@H]1Cc2cc(-n3ccnc3-c3ccc(OCCN4CCOCC4)cc3)ccc2O1 1772809361 UXUOYWVFJCMNMR-GOSISDBHSA-N 405.498 3.574 0 50 HHAA COc1cc(C)c(CN2CCCN(C(=O)c3ccc4nccnc4c3)CC2)cc1C 1772816533 PAUPNFOUHQIDBT-UHFFFAOYSA-N 404.514 3.603 0 50 HHAA O=C(N[C@@H]1COc2cccc(F)c21)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1875258729 AMLRLHSUXGIAQK-OAHLLOKOSA-N 409.383 3.706 0 50 HHAA COC(=O)c1sc(S(=O)(=O)Nc2cc(CCC(C)C)nn2C)c(C)c1Cl 1875264074 UOBOSBQDSUGUFC-UHFFFAOYSA-N 419.956 3.619 0 50 HHAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)C[C@@H]2Oc3ccccc3[C@@H]2C)CC1 1875383282 NKGVXFIXBNQMQZ-CVDCTZTESA-N 418.537 3.804 0 50 HHAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1CCCC[C@H]1c1nccs1 2356139536 ZZFZPLHIUWQKGH-HNNXBMFYSA-N 403.573 3.723 0 50 HHAA COc1cc(/C=C/C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1OC 1149771 AYIRFTBKVJTJTC-MDZDMXLPSA-N 410.514 3.691 0 50 HHAA CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 1231802 WXMCSYGIEMTDMJ-PGAZUGQPSA-N 407.469 3.822 0 50 HHAA O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=S)N1C[C@@H]1CCCO1 9972719 PQGLZYHKUUKCPU-BUKVSMQUSA-N 417.534 3.790 0 50 HHAA COCCCC1CCN(Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)CC1 11664103 IXYNPMOJBDXGEU-UHFFFAOYSA-N 403.523 3.741 0 50 HHAA CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)cc1 12038445 YRQSBVSBPLTUOY-HXUWFJFHSA-N 423.561 3.553 0 50 HHAA COc1ccc(/C=C/CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1 12373347 MRZOBYROKNDFPC-LHXJMTLCSA-N 413.606 3.753 0 50 HHAA FC(F)(F)c1cccc(Cn2cnc(NC(=S)NCCc3ccccc3)n2)c1 13497573 NXHVRAIZBPTGTL-UHFFFAOYSA-N 405.449 3.874 0 50 HHAA COC(=O)c1c(NC(=O)c2ccco2)c2cc(NCc3ccccc3)cnc2n1C 14536700 WOTUHPFATLJHCM-UHFFFAOYSA-N 404.426 3.817 0 50 HHAA O=C(CCC1CCN(C(=O)CCn2cccn2)CC1)Nc1ccc(F)c(Cl)c1 14962368 BEBULWDIUWDBLA-UHFFFAOYSA-N 406.889 3.723 0 50 HHAA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)c1ccccc1 19808915 HITPSSJGUBYTEN-UHFFFAOYSA-N 412.445 3.933 0 50 HHAA CCCCn1c(CN(C)Cc2ccccc2OC)cnc1S(=O)(=O)CC1CCC1 55071299 KXSJJIRWUSRQEM-UHFFFAOYSA-N 419.591 3.898 0 50 HHAA O=C1C[C@H]2CC[C@@H](CN1)N2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 72463375 BRGQTNGSKMHTKL-MOPGFXCFSA-N 419.456 3.623 0 50 HHAA CC(C)N1CCC(N2CCN(Cc3ccccc3-c3ccco3)C[C@H]2CCO)CC1 104633492 KYEAKSSMVVWSFW-HSZRJFAPSA-N 411.590 3.688 0 50 HHAA CC(C)CCn1ccc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 206239310 YSLBWPKBCOJVKU-HXUWFJFHSA-N 418.497 3.767 0 50 HHAA C[C@H](NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1)c1ccccc1 239128749 KSSYLYDKBUDIEJ-JQKDNIJSSA-N 412.489 3.735 0 50 HHAA O=S1(=O)CCC(N(Cc2csc(CCc3ccccc3)n2)CC(F)F)CC1 252482255 DBSRWMJZAFTQOG-UHFFFAOYSA-N 414.543 3.573 0 50 HHAA Cc1ccc(NC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c(F)c1 263616010 GLNVLDJSJFMDGQ-INIZCTEOSA-N 407.493 3.911 0 50 HHAA CNC(=O)c1cccc(CCNC(=O)c2ccc(Br)c(Cl)c2F)c1 435860123 MWSVAADMMGXTEP-UHFFFAOYSA-N 413.674 3.574 0 50 HHAA CCCn1c(C)nc2cc(NC(=O)C3CCN(C(=O)c4ccccn4)CC3)ccc21 952986896 GWEDAMUUGQFYRC-UHFFFAOYSA-N 405.502 3.641 0 50 HHAA Cc1ccc(C(=O)NCC(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)s1 1339638544 XBDVDXHLRQKNQV-SFHVURJKSA-N 408.527 3.930 0 50 HHAA O[C@@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@H]1Cc1ccnc2ccccc12 1529191881 HVPMGPWWRWAHQV-KBMIEXCESA-N 405.517 3.878 0 50 HHAA COc1cc(-c2onc(N3CCC(CCn4cccn4)CC3)c2C(=O)O)ccc1F 1704331666 RMZPIMMQMLOPOL-UHFFFAOYSA-N 414.437 3.691 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@H](C)Oc2ccccc2OC)CC1 1704344482 SJIZGWXMTYMGAW-KRWDZBQOSA-N 411.498 3.562 0 50 HHAA Cc1noc(C)c1CN1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857702849 QVFZJLZGLOOZPB-OAQYLSRUSA-N 411.546 3.890 0 50 HHAA C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(c2ccc([C@H]3CCC(=O)N3)cc2)C1=O 1875335138 TWXBTXJYDPLVEB-UZLBHIALSA-N 417.387 3.628 0 50 HHAA C[C@@H](Sc1ccccc1)C(=O)N=S1(=O)C[C@H]2C[C@@H](CN(C(=O)C(C)(C)C)C2)C1 2332238148 ASEMVFVWYPZRJZ-IKGGRYGDSA-N 422.616 3.686 0 50 HHAA COc1cc2nc(-c3ccc4c(c3)C(=O)N(CCC(C)C)C4=O)oc(=O)c2cc1OC 1178601 NITBATPOEKSQQH-UHFFFAOYSA-N 422.437 3.514 0 50 HHAA biogenic O=C(NCc1ccccn1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 2879376 KFRMDLBMCHSDGY-ZFWWWQNUSA-N 407.421 3.930 0 50 HHAA CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(C)c(Br)c1 2881145 TXZZFVPQNRVMAN-UHFFFAOYSA-N 408.292 3.681 0 50 HHAA CCn1ccnc1CN(C)C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 11664756 YWJGVROGODSQPT-UHFFFAOYSA-N 404.470 3.916 0 50 HHAA O=C(NC[C@@H]1CCCN(C(=O)Cc2cccnc2)C1)c1ccc(-c2ccccc2)cc1 11667831 VBKWMEIJSRCQQV-NRFANRHFSA-N 413.521 3.960 0 50 HHAA O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697510 CQPYVZMCZFTRDF-UHFFFAOYSA-N 410.481 3.731 0 50 HHAA COC(=O)c1cc(CNC(=O)c2ccccc2Cl)cc(NC(=O)c2ccco2)c1 12279969 OJQUBYLWWXBOHJ-UHFFFAOYSA-N 412.829 3.902 0 50 HHAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(F)(F)F 12571190 WWAWBPBEZVBSGY-QGZVFWFLSA-N 412.496 3.683 0 50 HHAA O=C(c1nc(O)nc2ccccc12)N1CCC(c2ccnc(-c3ccccc3)n2)CC1 14879603 PSLROLHWEOQPQV-UHFFFAOYSA-N 411.465 3.812 0 50 HHAA COc1cc(-c2nc(CN3CCC(C(=O)N4CCCC4)CC3)c(C)o2)ccc1F 15073909 DBPRQXBOGSSJDH-UHFFFAOYSA-N 401.482 3.632 0 50 HHAA O=c1c2ccccc2nc(CSc2ncnc3nc[nH]c23)n1-c1ccccc1Cl 18275801 KJQLFFHRDREFOS-UHFFFAOYSA-N 420.885 3.998 0 50 HHAA CCOC(=O)Nc1ccc2c(c1)N(C(=O)[C@H](C)N1CCOCC1)c1ccccc1CC2 19338331 FQYSHXRQTMYISI-KRWDZBQOSA-N 423.513 3.739 0 50 HHAA CN(Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12)[C@H]1CCOC1 19794521 RRQBZVRDXUQYOC-KRWDZBQOSA-N 404.942 3.615 0 50 HHAA CCc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)cc1 65363081 WOTBHGIOFLQHJB-GOSISDBHSA-N 402.502 3.607 0 50 HHAA COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4CC=C(C)C[C@H]4C3=O)c2)c1 100694698 QTGIDGSNHONZFW-RBUKOAKNSA-N 420.465 3.802 0 50 HHAA CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 170597464 KIDNJHVEOHEFJF-OAQYLSRUSA-N 417.594 3.906 0 50 HHAA CCOc1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)CC2)n1 170624940 BIIDITDSWPNINO-GJZGRUSLSA-N 421.328 3.634 0 50 HHAA O=C(OCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C[C@@]23C=C[C@H]1O3 226889253 RUESWPWEMQHVKE-MOXWOTFGSA-N 413.832 3.509 0 50 HHAA Cc1nc(-c2cc(C(=O)NCc3ccc(C(=O)N=c4cc[nH]cc4)cc3)co2)cs1 1875253152 WIRFGWNRCMLVBD-UHFFFAOYSA-N 418.478 3.711 0 50 HHAA O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)N[C@H]1CCc2nnc(O)cc2C1 1875351780 IIUOUXXWPIPKSA-IBGZPJMESA-N 423.900 3.631 0 50 HHAA CCCCn1nc(CC(C)C)c2c(N3CCC(C(=O)N4CCCC4)CC3)ncnc21 2100477151 KEJSIKBXIDYHOU-UHFFFAOYSA-N 412.582 3.664 0 50 HHAA CCn1ccnc1/C=C/C(=O)Nc1cc(F)cc(NC(=O)/C=C/c2nccn2CC)c1 2325743283 ANILLLRPRMJCQT-KQQUZDAGSA-N 422.464 3.562 0 50 HHAA O=C(O)[C@@H](C[C@@H]1CCSC1)NCc1c(Br)cccc1OC(F)F 2325852695 OLIXANLITJRGIK-JOYOIKCWSA-N 410.280 3.737 0 50 HHAA CNC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc(C(C)C)n(-c2ccncc2)n1 2332239384 NVVYPHWAUORABA-GCJKJVERSA-N 423.561 3.548 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CC1 1136873 YYCLILNQQHNACH-UHFFFAOYSA-N 415.540 3.969 0 50 HHAA Cc1cc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1Br 1149735 JUCDBPFGJFEURV-ZDUSSCGKSA-N 411.321 3.551 0 50 HHAA Cc1cccc(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c1 1211181 OLSIEADPGCTWEY-UHFFFAOYSA-N 423.472 3.923 0 50 HHAA COc1cc(C)ccc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 2841674 QDFIVRCQRXCTQG-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c(C)cc1C 2858230 JEGAPXILBXCAEQ-UHFFFAOYSA-N 408.951 3.866 0 50 HHAA O=C(OCc1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4819534 IYXCJFVRKXIRBD-DEDYPNTBSA-N 401.418 3.930 0 50 HHAA CCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)O)cc1)N(C(C)=O)c1ccccc1-2 6577891 QQINSVUBRYKWKV-IBGZPJMESA-N 422.466 3.793 0 50 HHAA CCc1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)s1 9129350 UOHAEMYSKJGPOQ-UHFFFAOYSA-N 423.523 3.530 0 50 HHAA COc1ccc(-c2n[nH]cc2CN(C)Cc2cccc(-n3cccn3)c2)c(OC)c1 12306588 AQNRILWSWLJIQR-UHFFFAOYSA-N 403.486 3.912 0 50 HHAA COc1ccc(OC)c(CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 12595932 PXGCTYKUXZKELN-UHFFFAOYSA-N 400.523 3.722 0 50 HHAA CN(C(=O)c1cccc(Cn2cccn2)c1)[C@@H]1CCCN(Cc2ccccc2F)C1 12836022 UGFGXJRZQDKEFB-JOCHJYFZSA-N 406.505 3.807 0 50 HHAA O=C(NC1CC1)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 17088516 HGKGBDROGUSSSG-CVEARBPZSA-N 410.495 3.913 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)Nc2ccccc2)C1 17090662 CNLJWVUAPAOLKN-CYBMUJFWSA-N 416.499 3.555 0 50 HHAA Oc1cc(C(F)(F)F)c(I)cc1I 95705257 ICJBBXJQOXWUPE-UHFFFAOYSA-N 413.902 3.620 0 50 HHAA in-vitro Cc1cc(NC(=O)NCCc2nc(-c3ccccc3)n[nH]2)ccc1OC1CCOCC1 170617007 MTXWNDHFEJJXQT-UHFFFAOYSA-N 421.501 3.702 0 50 HHAA Cc1nc(C)c(CCNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)s1 170623169 ZUBUKMKTZJRIQA-UHFFFAOYSA-N 418.522 3.740 0 50 HHAA CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 170654881 WJBOWKAXLZCAJA-WMZHIEFXSA-N 408.542 3.756 0 50 HHAA COc1cc(OC)c(NC(=O)c2nnn(-c3ccccc3)c2-n2cccc2)cc1Cl 206648542 FDRCJZJSEKGEKE-UHFFFAOYSA-N 423.860 3.981 0 50 HHAA O=C(N[C@H](CC(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1)c1ccccc1Cl 238070341 RMKKVYUQEMZZSR-QFBILLFUSA-N 414.889 3.524 0 50 HHAA CN(CC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2)Cc1ccccc1 240744091 HULJGNDQQYKBKR-SFTDATJTSA-N 414.496 3.524 0 50 HHAA CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2n1C 253394311 AMMPNECJVSNQEP-QVKFZJNVSA-N 408.477 3.579 0 50 HHAA COC(=O)c1coc(CN2CCC[C@@H](c3nn(-c4ccccc4)cc3C(=N)O)C2)c1 328605644 OJBHYXNMJJJZAB-OAHLLOKOSA-N 408.458 3.515 0 50 HHAA COc1ccccc1[C@@H](NC(=O)N1CCn2nc(C)nc2C1)c1ccccc1Cl 439351163 DAJUGGYTZYRZPJ-FQEVSTJZSA-N 411.893 3.563 0 50 HHAA O=c1cc(CN2CCC[C@@H](c3nnc4ccccn34)C2)c2cc3c(cc2o1)CCC3 738320131 ZRXZVSAZVAZRQZ-GOSISDBHSA-N 400.482 3.704 0 50 HHAA CN1CCN(Cc2cccc(CNC(=O)N3CCCCC[C@H]3c3ccco3)c2)CC1 1321968334 AZVVJYCBMQEWRX-QFIPXVFZSA-N 410.562 3.854 0 50 HHAA CN(C)[C@H]1CCN(Cc2cccnc2)C[C@H]1CCC(=O)NC1CCCCCCC1 1565511324 BNWVLQGBZNVMDF-GGAORHGYSA-N 400.611 3.843 0 50 HHAA COc1ccccc1CC(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cccc3[nH]ccc13)C2 1857705034 PEXXKRYWDSSUOI-FZWXVRBQSA-N 403.526 3.746 0 50 HHAA CCn1cc(/N=c2/scc(-c3cccc(F)c3)n2CCOC[C@H]2CCOC2)cn1 1875257164 MKJDYBMDUDONBZ-ASLPFPAGSA-N 416.522 3.858 0 50 HHAA CNC(=O)c1cnc(NC(=O)Cc2c[nH]c3cc(OCc4ccccc4)ccc23)s1 1875322985 QRNAIQAYEADCMI-UHFFFAOYSA-N 420.494 3.744 0 50 HHAA Cc1c(Cl)cccc1C(=O)N1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356168139 RDMZOGJXUAEWTN-HOIFWPIMSA-N 404.938 3.549 0 50 HHAA CCN(CC)c1nc(N)nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)n1 753175 JSKFNGJACACSEY-UHFFFAOYSA-N 402.458 3.817 0 50 HHAA O=C(O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 754368 RXGNLKDXFQJQCN-UHFFFAOYSA-N 420.450 3.872 0 50 HHAA Cc1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1S(N)(=O)=O 873259 IEBGYCJLPLXZQV-UHFFFAOYSA-N 404.495 3.865 0 50 HHAA CCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2OC)c2cc(Br)ccc21 1078108 MJNXFVHTXWLVEJ-HXUWFJFHSA-N 418.287 3.675 0 50 HHAA CCOc1ccc(C(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C(=O)OC)cc1 1200249 SMBQLSFRRVMVNL-UHFFFAOYSA-N 418.515 3.976 0 50 HHAA O=S(=O)(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(F)cc1 2777848 AAYAKVAETLSOON-UHFFFAOYSA-N 401.250 3.573 0 50 HHAA CCOc1ccc([C@H](CC(=O)O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 4580899 CILSRTZKYUYYAB-NGOBRMJYSA-N 401.503 3.942 0 50 HHAA CCCC[C@@H](C(=O)Nc1ccc(C(=O)OCC)cc1)N1C(=O)c2ccccc2C1=O 4725069 HQIQKBZRBFPRDT-IBGZPJMESA-N 408.454 3.657 0 50 HHAA Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)c1C 8587980 MJBOSTHSOBIYEL-HSZRJFAPSA-N 414.509 3.557 0 50 HHAA O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccccc1O 9147072 ALXJTLFFRHKVDX-UHFFFAOYSA-N 403.467 3.766 0 50 HHAA C[C@H](Cc1ccccn1)NC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 11668256 HLRNSDUYZHORLZ-CQSZACIVSA-N 418.419 3.754 0 50 HHAA COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)Cn4nc(C)cc4C)C3)ccc2c1 11711622 YKTNRFQHZKEVEK-NRFANRHFSA-N 405.498 3.783 0 50 HHAA O=C1CC[C@H](C(=O)N2CCC(c3ccncc3)CC2)CN1CCCc1ccccc1 11753456 DIKNTRKMBODBEK-QHCPKHFHSA-N 405.542 3.659 0 50 HHAA O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC12CCN(C(=O)c1cncs1)CC2 12211920 GSSPPQLXTGOXBJ-HNNXBMFYSA-N 423.460 3.721 0 50 HHAA CN(Cc1ccon1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 13594450 SYJKQPYHGNARSZ-UHFFFAOYSA-N 402.454 3.947 0 50 HHAA CCC(CC)C(=O)N1CCC(Oc2ccc(CN(C)Cc3cnn(C)c3)cc2)CC1 14995816 RTDVZYXRTXKWBY-UHFFFAOYSA-N 412.578 3.858 0 50 HHAA Cc1noc(C)c1CC(=O)NCCN1Cc2ccccc2O[C@@H](c2ccsc2)C1 15002660 RDMDBQXBEXTDJE-OAQYLSRUSA-N 411.527 3.648 0 50 HHAA COc1cc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)ccc1F 15067779 KEKNIEFKMHPULN-SFHVURJKSA-N 408.477 3.871 0 50 HHAA O=C(c1ccc(Cl)cc1OC1CCN(Cc2c[nH]cn2)CC1)N1CCCCC1 15079147 DBGFLVAMTVCRLE-UHFFFAOYSA-N 402.926 3.733 0 50 HHAA Cc1ccc(CNC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CC[C@H](C)C3)cc1 17090019 YKWZASSGWLHIPS-AWEZNQCLSA-N 414.527 3.915 0 50 HHAA CC(=O)Nc1cc(CN[C@@H](C)CCc2ccc(O)cc2)cc(C(=O)N2CCCC2)c1 19740718 ZKDOPRIGNNTIOM-KRWDZBQOSA-N 409.530 3.698 0 50 HHAA CCS(=O)(=O)c1ccc(-c2cccc(-c3ccn(C[C@H]4CCNC4)n3)c2)s1 20211829 GMBKHCGDLASBED-HNNXBMFYSA-N 401.557 3.682 0 50 HHAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2cc(C)ccc2OC)o1 25694750 CJSXGYGSLNIXHD-UHFFFAOYSA-N 411.454 3.844 0 50 HHAA O=C(c1ccccc1Cl)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55199252 NOGCVBNSUSSHJF-QGZVFWFLSA-N 401.913 3.906 0 50 HHAA COc1cccc(-c2nc(CN(C)C[C@H]3COc4ccccc4O3)c(C)o2)c1OC 55342581 SDMGBNZBONYADI-INIZCTEOSA-N 410.470 3.939 0 50 HHAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2cccc3c2OCC3)nc1 67688940 SNSKDEWBUJUGGD-GOSISDBHSA-N 402.450 3.596 0 50 HHAA COC(=O)[C@@H]1[C@H](c2ccc(SC)cc2)c2c(O)nn(-c3ccccc3)c2C[C@]1(C)O 252515323 IRXHRWZNTUIOGA-RFWXGWTQSA-N 424.522 3.528 0 50 HHAA CCOC(=O)c1nc2c(s1)N(S(=O)(=O)c1cccc(Cl)c1)CCCC2 328594049 LMUAWGVSTSBALJ-UHFFFAOYSA-N 400.909 3.505 0 50 HHAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NCC1(O)CCN(C)CC1 823761215 WLPBXUQMRBDBJY-UHFFFAOYSA-N 408.498 3.507 0 50 HHAA CC(C)c1ccc(N2C[C@H](C(=O)NCc3noc(-c4ccccc4)n3)CC2=O)cc1 827696754 VMLHGBPDXRSWBB-GOSISDBHSA-N 404.470 3.529 0 50 HHAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(CSc2ccccn2)cc1 952982390 OWDUOLCZCYAGBS-OAQYLSRUSA-N 411.571 3.747 0 50 HHAA Cc1cnn(CCC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1 1704338178 MTNWWGSQJJPNCU-DEOSSOPVSA-N 401.514 3.545 0 50 HHAA Cc1nc(O)cc(CN2C[C@H](c3ccc4c(c3)OCO4)O[C@H](c3ccccc3)C2)n1 1857710202 LMOZZJVJIUAVLI-FCHUYYIVSA-N 405.454 3.534 0 50 HHAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2cn(C)c3ccccc23)CC1 1875256387 KICNAAIQAJDVMV-QFIPXVFZSA-N 417.509 3.761 0 50 HHAA C=CC(=O)N1CCC(C(=O)Nc2csc(-c3ccc(Br)cc3)n2)CC1 1875372050 UXPQKNHKELLHDJ-UHFFFAOYSA-N 420.332 3.936 0 50 HHAA COc1ccccc1C(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 779546 MWXHHQHAEBKTIR-UHFFFAOYSA-N 400.478 3.960 0 50 HHAA COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 1176429 XCNHRFCVVOJMOA-INIZCTEOSA-N 417.465 3.705 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 1725479 ZAPUUYNFQUEIBP-UHFFFAOYSA-N 417.508 3.872 0 50 HHAA CCN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc2ccccc2c1 2877353 BSCOFJDLOTZWJS-UHFFFAOYSA-N 404.438 3.767 0 50 HHAA O=C1C[C@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 4682445 NLSVFZPHOHCARU-INIZCTEOSA-N 407.695 3.567 0 50 HHAA O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 4749344 DCKQXTJWCYBPJR-MRXNPFEDSA-N 423.479 3.535 0 50 HHAA CC(C)(CO)CN1CCC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 11818841 CULLEFBPLKGCDO-SFHVURJKSA-N 406.530 3.899 0 50 HHAA CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)c1ccccc1 11873229 NJLGVOTYHPRQJT-QHCPKHFHSA-N 420.513 3.752 0 50 HHAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCN2CCCCO2)n1 11932915 XJRSPUVLSNCNPQ-DEOSSOPVSA-N 404.514 3.763 0 50 HHAA Cc1cnc(C)c(-c2cc(F)c3c(c2)C[C@H](CNC(=O)c2cc(CC(C)C)n[nH]2)O3)n1 12218833 IDIVYOSVAGFFBP-GOSISDBHSA-N 423.492 3.555 0 50 HHAA CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)CCn1cnc2ccccc21 12314690 QKDRCQHSWQZVEV-UHFFFAOYSA-N 422.548 3.979 0 50 HHAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccccc2OC(F)F)CC1 12717004 FSHANVCYOABKDC-FQEVSTJZSA-N 423.548 3.881 0 50 HHAA O=C(NCC(F)(F)F)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 15067058 MCAFTLNLQKDKMP-HNNXBMFYSA-N 404.436 3.527 0 50 HHAA Cc1nnc(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)o1 20352227 DJENNZCRLCIVTO-UHFFFAOYSA-N 403.442 3.591 0 50 HHAA O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cc(-c2ccccc2)on1 21807479 ZQCUHUPADKNKDY-FQEVSTJZSA-N 411.889 3.798 0 50 HHAA COc1cccc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c1OC 23361235 YGTIVCXUPNNMTL-HXUWFJFHSA-N 413.537 3.630 0 50 HHAA Cc1cnn(Cc2cccc(F)c2)c1NC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 55255624 DNFWCTOZBLKPFG-FQEVSTJZSA-N 412.509 3.889 0 50 HHAA CCc1cccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)c1 67604014 IEHXDMBZGXYMNI-UHFFFAOYSA-N 403.490 3.532 0 50 HHAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)c2c1 497458810 IJYOZNYFHDSTIO-CYFREDJKSA-N 420.601 3.827 0 50 HHAA Cc1ccc2c(c1)N(C(=O)CN1C(=O)N[C@@](C)(c3ccc4ccccc4c3)C1=O)CC2 746818579 IUZSBFRBJILHEW-VWLOTQADSA-N 413.477 3.505 0 50 HHAA C[C@H](NC(=O)N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(-c2ccncc2)cc1 754664419 VLMDZWUUQUNHAS-RTFZILSDSA-N 405.498 3.593 0 50 HHAA C[C@@H](C(=O)NCc1ccc(CNC(=O)c2cccc3[nH]ncc23)cc1)c1ccco1 1875349725 KJIPHEKKRUFIMH-OAHLLOKOSA-N 402.454 3.506 0 50 HHAA CN(Cc1ccc2ccccc2n1)C(=O)c1cc2c(s1)CCOC21CCNCC1 2356138700 FTOABHDXGHXZJS-UHFFFAOYSA-N 407.539 3.720 0 50 HHAA Cn1ncc(Cl)c1C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356153872 YGNJYWVHJVFKHX-JOCHJYFZSA-N 407.905 3.651 0 50 HHAA COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 781877 RBBNPRUAMRZUML-OAQYLSRUSA-N 404.422 3.726 0 50 HHAA CCOc1ccc([C@@H](O)Cn2c(=N)n(CCN3CCCCC3)c3ccccc32)cc1 845917 MKHUUMRWZZFAQU-QHCPKHFHSA-N 408.546 3.540 0 50 HHAA C[C@H]1CCc2c(sc3nc(SCC(=O)NCc4ccccc4)n(C)c(=O)c23)C1 1159873 AKECPXJPHULJPI-ZDUSSCGKSA-N 413.568 3.528 0 50 HHAA COc1ccc(CNC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1 1203995 HDLPDDBKOWQZDG-UHFFFAOYSA-N 416.359 3.947 0 50 HHAA Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 2872517 DQFPQNCKTCSSLG-UHFFFAOYSA-N 405.863 3.998 0 50 HHAA CC(C)c1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1 5522912 PIFVTVRFRXZMPJ-UHFFFAOYSA-N 420.600 3.626 0 50 HHAA CCc1c(C)sc(NC(=S)N2CCN(c3ccccc3O)CC2)c1C(=O)OC 6394610 CGPOFKLVZQBNTC-UHFFFAOYSA-N 419.572 3.630 0 50 HHAA Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCc2ccc(Cl)c(Cl)c2)CC1=O 9591718 SPRWMDLLYGLCIQ-CQSZACIVSA-N 421.280 3.539 0 50 HHAA Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCc2ccc(Cl)c(Cl)c2)CC1=O 9591725 SPRWMDLLYGLCIQ-AWEZNQCLSA-N 421.280 3.539 0 50 HHAA COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@@H](CNC(=O)c2cccnc2)C3)cc1 11814250 BXOMDAGMLOWEHX-LJQANCHMSA-N 422.868 3.922 0 50 HHAA O=C(NCc1ccco1)[C@H]1CC12CCN(Cc1ccc(Oc3ncccn3)cc1)CC2 11838818 NVFYWZGWRRPZTD-OAQYLSRUSA-N 418.497 3.780 0 50 HHAA COc1cccc(CCC(=O)N2CCC(n3nccc3NC(=O)CC(C)C)CC2)c1 11843694 ORJHCYHGXZFQOS-UHFFFAOYSA-N 412.534 3.673 0 50 HHAA Cc1csc(NC(=O)[C@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)n1 12001070 HXOFVTYGVUZSNA-HNNXBMFYSA-N 407.499 3.769 0 50 HHAA O=C(c1cc(COc2c(F)cccc2F)on1)N1CCN(C2CCCCC2)CC1 12075890 FMDDAEIWZPFYOP-UHFFFAOYSA-N 405.445 3.622 0 50 HHAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)C[C@@H](C)O1 15415841 BVAZCHDMKYNAGC-CALCHBBNSA-N 424.522 3.890 0 50 HHAA C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CCc3ccccc3)n2CC1 19794993 WTXQTXFLCNYJEU-LJQANCHMSA-N 418.541 3.529 0 50 HHAA O=C1CCN(Cc2cccc(OCc3ccccc3)c2)CCN1Cc1ccccn1 20119029 UJKSGGQPFJXLTQ-UHFFFAOYSA-N 401.510 3.895 0 50 HHAA O=C(NCCN1CCN(Cc2ccccc2C(F)(F)F)CC1)Nc1ccccc1 20472465 HYJUSGODYYHMKV-UHFFFAOYSA-N 406.452 3.645 0 50 HHAA Clc1ccc(-c2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nn2)cc1 20725238 SIHUWYPSLXAQAK-UHFFFAOYSA-N 408.889 3.848 0 50 HHAA CC[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 44857014 KHMZHSQPMMSAIE-OAQYLSRUSA-N 400.544 3.567 0 50 HHAA CCOc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1 64800122 OBRVIRFEWCDOKW-UHFFFAOYSA-N 424.549 3.528 0 50 HHAA COCC(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)C[C@@H]1Cc1ccccc1 82120399 HQQIXINAODPRML-DEOSSOPVSA-N 414.505 3.787 0 50 HHAA Cc1cccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1C 101524946 PQBLVODFEIOMIT-PTLNGURQSA-N 417.505 3.851 0 50 HHAA O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21 169340548 SGNRHEDBLPGDDC-GOSISDBHSA-N 406.404 3.899 0 50 HHAA in-vitro CC(C)c1noc(-c2cn(C3CCN(C(=O)c4cc(Cl)ccc4F)CC3)nn2)n1 169777476 PZHUBMDDQMXEAV-UHFFFAOYSA-N 418.860 3.721 0 50 HHAA CCCCS(=O)(=O)Nc1ccc(C(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1 170611586 WRZZMMJDJYKLAY-LJQANCHMSA-N 408.564 3.840 0 50 HHAA C[C@H]1Sc2ccc(C(=O)OC3CCN(c4ccc(Cl)cn4)CC3)cc2NC1=O 170629773 GLBQMRYIKLRTQI-GFCCVEGCSA-N 417.918 3.994 0 50 HHAA O=C(NC1CC1)c1c(-c2ccccc2)csc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 225770547 LUXNNMIEGIKAMQ-DFEHZGFQSA-N 422.506 3.769 0 50 HHAA O=C(COc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(F)cc1 239165272 NUKMQEGPLUMHGV-OPZHZCDLSA-N 417.436 3.645 0 50 HHAA C[C@@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)c1cccc(NS(C)(=O)=O)c1 755169791 SPDNTQVUIYBLFQ-GFCCVEGCSA-N 418.906 3.593 0 50 HHAA COc1ccc(Oc2ccc(C(=O)NC[C@H]3CCCN(C(=O)C4CC4)C3)cc2)cc1 824684104 MRODKQLLFGSIFG-QGZVFWFLSA-N 408.498 3.866 0 50 HHAA O=C(c1ccccc1-c1ncc[nH]1)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857707841 LZUSSSWRSBZPQA-DENIHFKCSA-N 417.509 3.964 0 50 HHAA Cc1cc(NC(=O)c2ccc(N3CCOCC3)cc2)n(Cc2cccc(Cl)c2)n1 1940196246 UYPYBTVYAVWHSM-UHFFFAOYSA-N 410.905 3.982 0 50 HHAA COCCN1CCC[C@@]2(CCCN(C(=O)CCc3cccc(Cl)c3)[C@H]2C)C1=O 1940197991 GNOVCOHGVLZUMQ-JTSKRJEESA-N 406.954 3.539 0 50 HHAA COCCOCc1cccc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1 2325711541 UCRIQAOCLJOYQB-IBGZPJMESA-N 423.962 3.899 0 50 HHAA COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OC(=O)c1ccc(F)cc1 1008351 KDWWTVPOAFDWTA-UHFFFAOYSA-N 409.866 3.715 0 50 HHAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)c(Cl)cc1O 1109646 FRMHZXKGSDMGGH-IBGZPJMESA-N 415.877 3.938 0 50 HHAA CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]12 1156079 ALOBHKZKIFYQSA-OLJONYEBSA-N 409.441 3.956 0 50 HHAA O=C1CCCc2c1cc(C(=O)NCc1ccccc1)c(=O)n2-c1ccc(Cl)cc1 1422936 DMBBDKYLEABGHT-UHFFFAOYSA-N 406.869 3.940 0 50 HHAA Cc1ccc(CN(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 3005463 JSDAGKDFDBCNCH-UHFFFAOYSA-N 422.550 3.545 0 50 HHAA CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3Cl)CC2)cc1 4750301 JLOSGUVLKVOECC-HNNXBMFYSA-N 404.869 3.798 0 50 HHAA O[C@H](COc1cccc(CNCc2ccccc2)c1)CN1CCc2ccccc2C1 11950823 NWKOQLFUZMWAGA-VWLOTQADSA-N 402.538 3.774 0 50 HHAA COc1ccc(F)c(CN2CCOc3ccc(CN4CCCC[C@@H]4CO)cc3C2)c1 11964221 YDVRIQFYIWFRNH-OAQYLSRUSA-N 414.521 3.576 0 50 HHAA C[C@H](NC(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccccc1Cl 11999278 AKMQBXVSZPYVKR-ZDUSSCGKSA-N 413.861 3.853 0 50 HHAA O=C(CN1CCC(c2ccccc2)CC1)N1CCC[C@@](CO)(Cc2ccccc2)C1 12299109 NXNOJOWKIDNUQT-AREMUKBSSA-N 406.570 3.710 0 50 HHAA COC(=O)CCC(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 12338229 PIJZNXABGXABPX-CQSZACIVSA-N 407.388 3.745 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(CC(C)C)n[nH]2)C1 12437707 GPIWHBXDIVJCGJ-QHCPKHFHSA-N 415.509 3.776 0 50 HHAA O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)c1cc3ccccc3oc1=O)CC2 14979018 ODSOLWIQUCNDLB-IBGZPJMESA-N 402.450 3.674 0 50 HHAA COC(=O)c1c(NC(=S)N2c3ccccc3C[C@@H]2C)sc(C(=O)N(C)C)c1C 17091170 GHYASTUHGFOABY-NSHDSACASA-N 417.556 3.693 0 50 HHAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(Cl)cc2Cl)n1 82230420 VGZPDIGLWYPTLU-UHFFFAOYSA-N 408.333 3.924 0 50 HHAA O=C(N[C@@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1ccccc1Br 169754173 SJSNCHBRZQWDKD-GFCCVEGCSA-N 417.332 3.909 0 50 HHAA O=C(Nc1ccc(C(F)(F)F)c(Br)c1)c1cnc2ccccn2c1=O 170606231 ATRANCHOCARELY-UHFFFAOYSA-N 412.165 3.728 0 50 HHAA O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3F)[C@H]2C(=O)N1Cc1ccccc1 230050494 JIHLWDVKLHWOTL-YPAWHYETSA-N 402.425 3.872 0 50 HHAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1 231429429 LTVNDGSTVLSHNB-UHFFFAOYSA-N 408.951 3.866 0 50 HHAA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 247850552 RIHHIXCIPDDYGF-YXAMBPQSSA-N 415.442 3.802 0 50 HHAA CC(C)Cc1cc(C(=O)N2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)n(C)n1 426383880 RFSZHRKSQLEXKM-DEOSSOPVSA-N 414.594 3.654 0 50 HHAA Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(n3)CCCC4)C2)c1 470223533 OWLSEZLIDQFLER-HXUWFJFHSA-N 405.542 3.746 0 50 HHAA CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)n[nH]1 481130328 ZDNQVTYBZJBKKH-ZJUUUORDSA-N 408.293 3.697 0 50 HHAA O=C(c1ccc(-n2cccn2)cc1)N1CCCN(c2nc3ccccc3s2)CC1 1506401011 BFDASBQRFPXVGB-UHFFFAOYSA-N 403.511 3.835 0 50 HHAA O=C(N[C@@H]1CCc2ccc(Cl)cc21)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 1857530487 PFXBVZSASUIJHK-PKOBYXMFSA-N 404.919 3.585 0 50 HHAA COC[C@H](C)[C@@H](C)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1875260798 HTNHYGJXWJCJFW-NWDGAFQWSA-N 407.864 3.757 0 50 HHAA COc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 692424 RYRZXSNWZHIYQX-UHFFFAOYSA-N 402.406 3.881 0 50 HHAA Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1 823267 BSANYHAHOLTZCL-UHFFFAOYSA-N 410.451 3.746 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1 836916 JXCXZFSUBPJUFQ-UHFFFAOYSA-N 405.472 3.768 0 50 HHAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 1109561 PPONHUYCZMBVDR-UHFFFAOYSA-N 408.951 3.785 0 50 HHAA Cc1ccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C)cc1 1230303 HOPLIMMIVSCQKO-UHFFFAOYSA-N 401.509 3.937 0 50 HHAA COc1cccc(-c2nnc(SCC(=O)Nc3nccs3)n2CC(C)C)c1 9426899 XRHZHSAKHZXIOL-UHFFFAOYSA-N 403.533 3.797 0 50 HHAA COc1ccccc1NC(=O)[C@@H]1CC12CCN(Cc1cc3ccccc3[nH]c1=O)CC2 12049223 YNHMECKPTMSESA-IBGZPJMESA-N 417.509 3.778 0 50 HHAA COc1ccc(CC(=O)N(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)cc1 12111861 GOUNFHCRMUQGIR-XMMPIXPASA-N 414.590 3.900 0 50 HHAA COc1ccc(-n2cc(CN[C@H]3CCCCNC3=O)c(-c3ccccc3Cl)n2)cc1 12197109 RWMXAEURGVQPJJ-NRFANRHFSA-N 424.932 3.960 0 50 HHAA COC[C@H]1CCN(C(=O)c2ccc(OC3CCN(C4CCCC4)CC3)c(OC)c2)C1 12204790 OEIUPZSVJZNHDV-SFHVURJKSA-N 416.562 3.590 0 50 HHAA COc1ccc(C(=O)N2CCC(n3c([C@H]4CCCO4)nc4cccnc43)CC2)cc1 12247237 ZFPBDHLEYSIEGD-HXUWFJFHSA-N 406.486 3.769 0 50 HHAA OC[C@@H]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 12314589 CXJHBAATRGEOQL-LJQANCHMSA-N 405.498 3.531 0 50 HHAA CN1CC[C@@H](N(C)C(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)C1 12434203 PJYXNHSNWJTANF-CQSZACIVSA-N 408.449 3.858 0 50 HHAA O=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cccc(N2CCCC2=O)c1 15063183 QWQWQAZGRVJQCL-FQEVSTJZSA-N 411.933 3.861 0 50 HHAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C4CSCCSC4)C3)C2)c1 19223842 AAJUNGJCRPNMJH-OAQYLSRUSA-N 410.624 3.971 0 50 HHAA Cc1c(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)c(=O)n(-c2ccccc2)n1C 19229003 BUDJSXQMAIQOOF-XMMPIXPASA-N 416.569 3.507 0 50 HHAA C[C@H]1Cc2ccccc2N1C(=O)c1cn(C)nc1C(=O)N1c2ccccc2C[C@@H]1C 20616698 XRYGJMJPEGZMTI-HOTGVXAUSA-N 400.482 3.603 0 50 HHAA CCNC(=O)[C@@H]1C[C@H](NCc2c(OC)ccc3ccccc23)CN1Cc1ccccc1 32577807 JFSUSXQFNQWCFL-URXFXBBRSA-N 417.553 3.717 0 50 HHAA Cc1nc2cc(OCc3nc(C(=O)N(C)C[C@@H]4CCCCO4)co3)ccc2s1 67447279 JDIHNSVAJYGXSA-HNNXBMFYSA-N 401.488 3.813 0 50 HHAA O=C(NCC1CCOCC1)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77437478 TXZPFQIMVPGAMN-UHFFFAOYSA-N 411.546 3.875 0 50 HHAA CN(C)c1cccc(-c2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)c1 169780423 WRJGDJPBBPFLDX-SFHVURJKSA-N 422.876 3.986 0 50 HHAA Brc1cnn(Cc2cnc(N3CCC[C@H](c4nccs4)C3)s2)c1 170603423 KWUYHMIASUFJGH-NSHDSACASA-N 410.366 3.991 0 50 HHAA CC(C)(C)N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 248223413 INFCNLJSOSXEKD-ANULTFPQSA-N 418.468 3.692 0 50 HHAA O=C1NC[C@H](NCc2cccc(C(F)(F)F)c2)n2nc(-c3ccc(F)cc3)cc21 263619210 XLSRPOGTGYNBAP-GOSISDBHSA-N 404.367 3.740 0 50 HHAA CCOc1cc(C)c(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1C(C)C 1857711571 HEFFZIMSSUKGGW-AABGKKOBSA-N 413.562 3.777 0 50 HHAA CN(Cc1ccc(Cn2ccnc2)cc1)C(=O)c1ccc2c(c1)nc(O)n2CC1CC1 1875346437 DKUSVOBDYZEXST-UHFFFAOYSA-N 415.497 3.669 0 50 HHAA C=CC(=O)N1CCC(C(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)CC1 1875371898 PDXYUQIUMRPYBS-UHFFFAOYSA-N 409.324 3.815 0 50 HHAA C[C@@H](c1ccccc1)[C@@H](NC(=O)CCC(=O)c1cc(Br)cs1)C(=O)O 2325876512 YCXCWNZVGPPRHT-APPDUMDISA-N 424.316 3.847 0 50 HHAA Cc1cc(=O)cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2[C@H]3Cc2ccccc2)o1 2356147417 VHZRJTDPVUHDPA-VAPSRWTKSA-N 406.526 3.506 0 50 HHAA O=S(=O)(c1ccc(Br)s1)N1CCN(c2cccc(Cl)c2)CC1 653828 KBMMRWWVNVJONT-UHFFFAOYSA-N 421.769 3.675 0 50 HHAA O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 1118208 MUTSXVLLLCUJJO-UHFFFAOYSA-N 420.412 3.938 0 50 HHAA CCOP(=O)(OCC)[C@H](NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 2686439 JOSHPJOYPURCIO-NSHDSACASA-N 424.670 3.927 0 50 HHAA O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)c1ccc(Br)cc1 2900045 FACIBXKGHVCXIR-UHFFFAOYSA-N 423.060 3.624 0 50 HHAA O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCN(Cc2ccccc2)CC1 4725546 DWDRIOMWIJNAQV-UHFFFAOYSA-N 411.977 3.896 0 50 HHAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)c2cccs2)CC1)c1ccccc1 11663071 AXDMXXCVGCKUSX-HXUWFJFHSA-N 424.526 3.748 0 50 HHAA COc1ccc(N[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)cc1OC 11754012 ZLGMWTJAGWLSIY-NRFANRHFSA-N 410.562 3.640 0 50 HHAA Cc1c(C(=O)NCc2ccc(F)cc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 12035199 XDMBPAKNUJTFAB-UHFFFAOYSA-N 413.456 3.805 0 50 HHAA NC(=O)CCC(=O)N1CCC(n2c(C3CCC3)nc3cc(C(F)(F)F)ccc32)CC1 12152073 HETXGZSIXFVZHJ-UHFFFAOYSA-N 422.451 3.752 0 50 HHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cnc(SC)nc2)CC1 12314618 INXNTISUUPJZOG-UHFFFAOYSA-N 415.559 3.595 0 50 HHAA Cc1ccc(C2(c3noc(CN(C)CCCCN4CCOCC4)n3)CCCC2)cc1 12583164 JASRNXKRVJLPJX-UHFFFAOYSA-N 412.578 3.782 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1cnc2ccccc2c1)C[C@@H](NCC1CC1)CC3 14887697 DDVBRLIOBYCHRG-SFHVURJKSA-N 416.550 3.911 0 50 HHAA CC(C)C[C@H](O)C1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1 14958424 MTCMADCJOVYAOE-IBGZPJMESA-N 408.445 3.791 0 50 HHAA COc1ccc([C@H](C)NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)cc1 20602105 GKVQUTFTFWYENI-KPZWWZAWSA-N 403.276 3.828 0 50 HHAA O=C(c1cccs1)[C@@H]1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 170623512 AKEUCVWDCLRVMV-HUBLWGQQSA-N 420.865 3.670 0 50 HHAA COc1cccc(N2CCC[C@H](NC(=O)c3sc(-c4ccccn4)nc3C)C2)c1 170629818 NXAAHSKGUDRQDJ-INIZCTEOSA-N 408.527 3.921 0 50 HHAA CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 225521485 HQEXNEZNSFILMY-RXVVDRJESA-N 413.518 3.559 0 50 HHAA COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@H]2C1=O 230003945 ABBALDGNDSAVGV-BHDDXSALSA-N 400.434 3.746 0 50 HHAA CCN(CC)c1ccc(-c2nnc(SC[C@@H]3CC4(CCC4)C(=O)O3)n2C)cc1 241942367 ULYPSYAFFOWURB-KRWDZBQOSA-N 400.548 3.906 0 50 HHAA COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccccc6Cl)[C@@H]45)[C@H]3C2=O)cc1 248140638 PTFIIWPTYOUWQC-KPLZRCEGSA-N 422.868 3.523 0 50 HHAA CC(C)n1ccc2c(NC(=O)C[C@H]3N=C(O)N(CCc4ccccc4)C3=O)cccc21 252538349 MYOCKKMUDHYAEP-HXUWFJFHSA-N 418.497 3.918 0 50 HHAA O=C(c1cn2cc(C(F)(F)F)cc(Cl)c2n1)N1CCN(Cc2ccccc2)CC1 263639750 HIFOSADRVPBYHE-UHFFFAOYSA-N 422.838 3.965 0 50 HHAA O=C(O)CCC(=O)N1N=C(c2cccc(Cl)c2)C[C@H]1c1ccc2nccnc2c1 408525646 NMFYAWOAPSUDPT-IBGZPJMESA-N 408.845 3.826 0 50 HHAA C=CC(=O)NCC1(c2ccccc2)CCN(C(=O)[C@@]2(C3CCC3)CC2(F)F)CC1 1875385943 FWYFQEYFZXWCPA-QFIPXVFZSA-N 402.485 3.675 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3nc4ccccc4n3C)C2)c2cccc(=O)n21 2356162333 HXBGDGCEVBKZSE-LQWHRVPQSA-N 418.541 3.972 0 50 HHAA COc1cccc2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)oc12 1456704 SCJJCGHERITTKJ-UHFFFAOYSA-N 412.873 3.726 0 50 HHAA O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1ccc2c(c1)OCO2 2861214 SVEWBCTZAMSRET-UHFFFAOYSA-N 415.215 3.583 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1Cl 2861479 NQGMGDDCDVKDIR-UHFFFAOYSA-N 423.659 3.754 0 50 HHAA CCN(CC)C(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 2995716 BQSGIFPCXQZGFV-UHFFFAOYSA-N 412.914 3.538 0 50 HHAA COc1ccc(-c2nc3c4c(C)c(C)n(Cc5ccccn5)c4ncn3n2)cc1OC 8993170 QQNBIEGQPPBBDO-UHFFFAOYSA-N 414.469 3.823 0 50 HHAA Cc1ccn(CCC(=O)N(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)n1 12302529 VDFZQRSWRLDRJU-UHFFFAOYSA-N 402.970 3.648 0 50 HHAA COc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 13677690 VBKSQMMYHNPUKZ-UHFFFAOYSA-N 402.497 3.834 0 50 HHAA CC(=O)Nc1cnn(-c2ccc(C(=O)NCc3scnc3-c3ccccc3)cc2)c1 14883101 IKTPCVBPXWPDGO-UHFFFAOYSA-N 417.494 3.884 0 50 HHAA Cc1c(C(=O)NCC(C)C)sc2ncnc(NC[C@H]3COc4ccccc4O3)c12 14978269 WTFVLXHJYPVOPH-AWEZNQCLSA-N 412.515 3.637 0 50 HHAA COC(=O)c1sc2nc(CN3CCCCCC3)ccc2c1NC(=O)[C@@H]1CCCO1 14994347 IYMZOYIHNPYWKK-INIZCTEOSA-N 417.531 3.576 0 50 HHAA COc1ccc2nc(NC(=O)C3CCN(C(=O)c4cccc(F)c4)CC3)sc2c1 16626888 KJNJBFPHGUHKSF-UHFFFAOYSA-N 413.474 3.935 0 50 HHAA COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 17877097 XDCHNQLTNPMICR-UHFFFAOYSA-N 402.863 3.643 0 50 HHAA O[C@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(c2ccccc2F)CC1 19867600 CYPNYGZHBRYJOW-UQQXROCHSA-N 416.581 3.932 0 50 HHAA CCCCn1c(CN(C)Cc2ccccn2)cnc1S(=O)(=O)CCCC(C)C 55306895 VHGIZJIPWCUOEJ-UHFFFAOYSA-N 406.596 3.920 0 50 HHAA CN(C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)C1CCCCCC1 82092942 ROHNCMGJKZNKHB-QFIPXVFZSA-N 412.622 3.939 0 50 HHAA Brc1cnn(Cc2cnc(N3CCC[C@@H](c4nccs4)C3)s2)c1 170603422 KWUYHMIASUFJGH-LLVKDONJSA-N 410.366 3.991 0 50 HHAA C[C@@H](NC(=O)CNC(=O)c1cc2c(s1)CCCC2)c1nc(C(F)(F)F)cs1 225613051 ZTIHKPYZYSALPY-SECBINFHSA-N 417.478 3.709 0 50 HHAA O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1)c1ccccc1F 239164777 MWQSPSIHKHYIBI-PRDNDHOOSA-N 403.409 3.602 0 50 HHAA Cc1ccc(-c2nc(CN3CCC(CNC(=O)c4ccccn4)CC3)c(C)o2)cc1 952979222 ZNBQPUMYFLXIOK-UHFFFAOYSA-N 404.514 3.995 0 50 HHAA C=CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cc1 1467861680 UGDICBWWHPOYHC-SFHVURJKSA-N 401.507 3.721 0 50 HHAA COc1ccccc1-c1cccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)c1 1506402647 ZRTTWBOFNFLZOW-NRFANRHFSA-N 415.493 3.678 0 50 HHAA COc1ccc(C(=O)N2CCC(C(=O)Nc3c(C)cnn3C3CCCC3)CC2)cc1 1529169480 ZTJZJCAJOPTLSX-UHFFFAOYSA-N 410.518 3.806 0 50 HHAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)NCc1cc(C(C)C)on1)C2 1772819750 RTURFZJURNXKBY-ZDUSSCGKSA-N 400.504 3.948 0 50 HHAA Cn1nc(-c2ccccc2)c2c1CCN(Cc1ccc(N3CCCC3=O)cc1)CC2 1857697537 CGHSBBPJPAZLLO-UHFFFAOYSA-N 400.526 3.815 0 50 HHAA Cc1noc(C)c1-c1cs/c(=N\c2ccsc2)n1[C@@H](C)CN1CCN(C)CC1 1875262537 IKCHMQOZEOVHQO-WBOBJJNYSA-N 417.604 3.924 0 50 HHAA Cc1nc2ccc(Cl)cc2c(-c2ccccc2F)c1CC(=O)NS(C)(=O)=O 1875390677 GVDNOIJRBVMRLW-UHFFFAOYSA-N 406.866 3.621 0 50 HHAA O=C(c1ncc(F)cc1F)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1ccccc1 2356137405 MHLAZLWEPKIICL-KSCDAYEDSA-N 411.496 3.918 0 50 HHAA CCn1nc(C)cc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356156147 SXAVBIKANFBGJS-VAPSRWTKSA-N 424.564 3.908 0 50 HHAA C[C@@H]1CCc2c(sc3nnn(CC(=O)Nc4cc(Cl)ccc4Cl)c(=O)c23)C1 958840 WHRHJPFIZBVLMJ-SECBINFHSA-N 423.325 3.923 0 50 HHAA Cc1c(Cl)cccc1NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1 1093000 ZXNDZIZKOAOCOW-UHFFFAOYSA-N 401.875 3.631 0 50 HHAA CCCCOC(=O)c1cccc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 1801391 JXRMVHYYZWLWDY-HXUWFJFHSA-N 422.481 3.903 0 50 HHAA CCCCNCc1cc(Br)c(OCC(=O)NC(C)(C)C)c(OC)c1 2177953 IAYAMJNDXXRSOI-UHFFFAOYSA-N 401.345 3.641 0 50 HHAA CCOC(=O)COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2nc(C)ccc2c1 2569542 KCASTCXJTDRDFT-UHFFFAOYSA-N 414.483 3.594 0 50 HHAA in-vitro COc1ccc(CC(=O)NC[C@H]2Cc3cc(-c4ccc(C)cn4)ccc3O2)cc1OC 11785511 PBPYSXXVELTGCW-HXUWFJFHSA-N 418.493 3.737 0 50 HHAA COc1cc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)c(OC)cc1Cl 13882232 AJGLYEJFLCYJGS-ZXPDZVFASA-N 416.909 3.883 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N(C)Cc1cccs1)C2 14751272 ACUFXTKWODORDE-KRWDZBQOSA-N 400.592 3.970 0 50 HHAA Cc1cc(=O)[nH]c(SCCOCCOc2ccccc2OCc2ccccc2)n1 16381888 SZGLHMPSGKXMCN-UHFFFAOYSA-N 412.511 3.845 0 50 HHAA CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)NCc2ccccc2)C1 17090010 IMIPKKPWGSZJMY-AWEZNQCLSA-N 414.527 3.996 0 50 HHAA OCC[C@H]1CN(Cc2ccc(CN3CCCCC3)s2)CCN1Cc1ccccc1 19757639 VATDPBUZVCKQBB-QFIPXVFZSA-N 413.631 3.803 0 50 HHAA C[C@@H](c1ccon1)N(C)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67606022 MYZNRSXCVJHJQI-KRWDZBQOSA-N 408.502 3.951 0 50 HHAA Cc1ccccc1CN1CCC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1 67614249 TXNXPYWZYBHUQX-UHFFFAOYSA-N 406.574 3.598 0 50 HHAA Cc1ccc(Nc2ccc(NCCNC(=O)c3ccc(F)cc3Cl)nn2)nc1 82230305 ZFNROCAZKHTMBC-UHFFFAOYSA-N 400.845 3.558 0 50 HHAA COc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4CC(C)=CC[C@H]4C3=O)cc2)cc1 100911347 FHQNHOPKQCMTDK-RTWAWAEBSA-N 405.450 3.803 0 50 HHAA Cc1cc2c(NCc3ccccc3CN3CCN(c4ccccc4)CC3)nccn2n1 170598826 CZQYPBZRDWTSIS-UHFFFAOYSA-N 412.541 3.972 0 50 HHAA C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C2=O 230037353 YSXJUNKETNQRFS-ZNRXUEPQSA-N 415.509 3.674 0 50 HHAA O=C(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@H]21 230133060 OGZDZKXHQKZCSV-KURKYZTESA-N 411.329 3.768 0 50 HHAA Cc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 239386646 PVHOXEDDVYNHRL-PLOUGOBLSA-N 418.530 3.718 0 50 HHAA COc1ccc(CNC(=O)NCCn2ccc3ccc(Br)cc32)cc1 409413092 BTXQBQFTVGAAOE-UHFFFAOYSA-N 402.292 3.912 0 50 HHAA Cc1nn(C(C)(C)C)cc1C(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 469181193 ICNMLUBORNKZDB-UHFFFAOYSA-N 410.543 3.759 0 50 HHAA O=C1Nc2ccc(S(=O)(=O)Nc3cc([C@H]4C[C@H]5CC[C@H]4C5)[nH]n3)c3cccc1c23 474425771 JEJKBWJWQMMSST-HUBLWGQQSA-N 408.483 3.833 0 50 HHAA CCc1c(NC(=O)Nc2ccn(CCOC)n2)cnn1-c1cccc(C(F)(F)F)c1 485324000 PXOLYMFBHPQSMB-UHFFFAOYSA-N 422.411 3.940 0 50 HHAA Cc1ncsc1CCN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1 952962649 DZTJAZVRCJHDFH-UHFFFAOYSA-N 421.422 3.582 0 50 HHAA Cc1ccc([C@@H](CNc2cncc(C(=O)N3CCCC3)n2)N2CCC(C)CC2)cc1 1704297331 MYVQNVFPLFZQEB-JOCHJYFZSA-N 407.562 3.906 0 50 HHAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857668356 WUFJBZXMQHTBBF-XMMPIXPASA-N 415.497 3.570 0 50 HHAA O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(CN2CCCCC2)s1 1875260645 QGQGVOHNOLCVRL-UHFFFAOYSA-N 408.531 3.975 0 50 HHAA CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NC2CCCC2)cc1 854637 ZAULDGBHNNRROD-UHFFFAOYSA-N 406.935 3.979 0 50 HHAA CCOc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1 893986 FXWGNYTYGNGPBP-UHFFFAOYSA-N 416.543 3.539 0 50 HHAA CSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1 1110589 OSTQKXKGMJURGG-UHFFFAOYSA-N 406.573 3.914 0 50 HHAA Cc1oc2c(C)c(OCC(=O)O)ccc2c(=O)c1Oc1cnn(-c2ccccc2)c1 2544579 DDLUKNAIIKKJLJ-UHFFFAOYSA-N 406.394 3.851 0 50 HHAA Cc1cccc(Cn2ccc(NS(=O)(=O)c3ccc(Br)s3)n2)c1 2804248 NOMKMBZKPISWFJ-UHFFFAOYSA-N 412.334 3.865 0 50 HHAA CC(=O)c1cccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)c1 2874564 DJEGXLHUBULIJJ-UHFFFAOYSA-N 415.298 3.601 0 50 HHAA COc1cc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)ccc1Cl 4578111 QNNSJDHXSIXDTL-UHFFFAOYSA-N 424.994 3.624 0 50 HHAA COc1cccc(CN2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CCC2=O)c1 11869912 YUAZSYZSIXVGFV-UHFFFAOYSA-N 420.431 3.518 0 50 HHAA O=C(CCc1[nH]nc2c1CCCC2)N[C@@H]1CCCc2c1cnn2-c1ccccc1F 12316693 CZILDDLRPFCOLN-GOSISDBHSA-N 407.493 3.740 0 50 HHAA COc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 13988042 ODESBGCCVZZCJD-UHFFFAOYSA-N 423.296 3.609 0 50 HHAA O=C(c1cccc(Cl)c1)[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 14956173 JUQFRAIWUIMGAX-INIZCTEOSA-N 405.951 3.728 0 50 HHAA COc1cc(-c2cnnc(N3CC[C@@H](c4ccc(F)cc4)C3)n2)cc(OC)c1OC 14970749 QCOOQLQEYRODFY-OAHLLOKOSA-N 410.449 3.697 0 50 HHAA CCOC(=O)CN(C)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 15063589 KGSYBNJDPYVRAS-UHFFFAOYSA-N 411.405 3.717 0 50 HHAA COc1ccc(CCN2CCC[C@@H](CN(C)Cc3cnc(N(C)C)s3)C2)cc1 15064585 XMSDWRQGCTXPTI-IBGZPJMESA-N 402.608 3.604 0 50 HHAA CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)c1C(=O)NC1CC1 17082929 IPGQQYQCIHVJOH-JKSUJKDBSA-N 404.532 3.897 0 50 HHAA Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)Nc1ccc(F)cc1 18285374 OARXDWGYJKVFGU-UHFFFAOYSA-N 409.442 3.838 0 50 HHAA COc1cccc(CN2CCN(C(=S)Nc3ccc4c(C)cc(=O)oc4c3)CC2)c1 50106688 AYALHSQTILLZMN-UHFFFAOYSA-N 423.538 3.625 0 50 HHAA Cc1ccc(Nc2cc(N3CCN(C(=O)c4sc(C)nc4C)CC3)nc(C)n2)cc1 65362942 RNZCYNQJYUKODF-UHFFFAOYSA-N 422.558 3.873 0 50 HHAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)CC1 71754840 XPYANNSVRJZSCV-JOCHJYFZSA-N 414.571 3.571 0 50 HHAA O=S(=O)(Nc1nc2ccccn2n1)c1cc(Br)c(Cl)cc1Cl 170617524 MCGQSJVPLIKGGO-UHFFFAOYSA-N 422.091 3.599 0 50 HHAA NC(=O)Nc1cccc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)c1 170622639 DVCRPKTVDBOXBT-INIZCTEOSA-N 412.248 3.837 0 50 HHAA C[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CCN(CC(F)(F)F)CC1 239367338 AIJFVHKPBNNODG-SJCJKPOMSA-N 421.866 3.837 0 50 HHAA O=C(NCc1cccc2ccccc12)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 244574749 CQUCZNDDNFQFDH-MXVIHJGJSA-N 415.493 3.889 0 50 HHAA O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NC[C@H]1CCN(c2ccccc2)C1 252467349 FJNSNQCJKHTLOS-DHIUTWEWSA-N 406.574 3.724 0 50 HHAA CCOC(C(=O)N[C@@H](C)c1cn2ncsc2n1)(c1ccccc1)c1ccccc1 426421728 DYOQVRVVUSKLFW-INIZCTEOSA-N 406.511 3.948 0 50 HHAA O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C1CCOCC1 757185211 BEXBMSGWFRXEPY-FCHUYYIVSA-N 421.493 3.995 0 50 HHAA CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)C1 773191259 WVGPKFPWSXGVKE-HXUWFJFHSA-N 416.525 3.985 0 50 HHAA CCSCc1nnc2sc(-c3cccc(I)c3)nn12 1772491460 YWIDWFNWIKLLGQ-UHFFFAOYSA-N 402.286 3.711 0 50 HHAA CCN(CC)CCNC(=O)c1cccc(NC(=O)c2c[nH]nc2C2CCCCC2)c1 1875262106 ZPVFFCOHQBPDQS-UHFFFAOYSA-N 411.550 3.781 0 50 HHAA Nc1ncc(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)cc1Cl 2325702449 BAYVBAXGYFIGSA-UHFFFAOYSA-N 424.726 3.558 0 50 HHAA COc1cc(CN2CCC[C@@]23CCCN(C)C3=O)ccc1OCCOc1ccccc1 2356149924 FEOXWLZBBYENDZ-RUZDIDTESA-N 424.541 3.740 0 50 HHAA O=C(c1ccc2nc[nH]c2c1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356160071 BRCMDHNNMKDUSY-NMMYMHLASA-N 424.504 3.768 0 50 HHAA O=C(Oc1ccc(C(=S)N2CCOCC2)cc1Br)c1ccccc1F 686340 VXRYQYPWZBOTBC-UHFFFAOYSA-N 424.291 3.815 0 50 HHAA CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 754859 SPASZZONRBESNE-UHFFFAOYSA-N 422.355 3.857 0 50 HHAA CCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br 2491316 GBTDGXBMLYPQGB-UHFFFAOYSA-N 417.185 3.910 0 50 HHAA O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccs2)CC1 2760508 ZAFGQJQNKBCXAZ-UHFFFAOYSA-N 406.507 3.779 0 50 HHAA CCOC(=O)C[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(OCC)cc1 4653334 CQGWGZLWANSKTH-GOSISDBHSA-N 401.459 3.527 0 50 HHAA CC1CCN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 5013743 TWKHQGOPYDSOBY-UHFFFAOYSA-N 402.516 3.503 0 50 HHAA O=C(C1CCN(Cc2nc(N3CCCCCC3)c3ccccc3n2)CC1)N1CCCC1 12040291 AUXOUPZNAFYARZ-UHFFFAOYSA-N 421.589 3.845 0 50 HHAA COc1cccc(CNC(=O)c2sc3ncnc(NC[C@@H]4CCCO4)c3c2C)c1 12154345 FEIMPTDTNQIWGA-INIZCTEOSA-N 412.515 3.529 0 50 HHAA O=C(c1ccoc1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(C(F)(F)F)cc2)C1 12194211 GNQCJXHFRAHJQC-QAPCUYQASA-N 406.404 3.952 0 50 HHAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCCC2=CCCCC2)C4)cn1 12279367 BFSVUZUCVSYZFL-GOSISDBHSA-N 423.586 3.577 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cn3c(C)cccc3n2)C1 12306562 SZOWJRXTSYFNRT-XMMPIXPASA-N 423.488 3.810 0 50 HHAA CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNC(C1CC1)C1CC1 12317117 YCAYXUIPCOAXOR-UHFFFAOYSA-N 408.571 3.989 0 50 HHAA S=C(NCc1ccccc1)Nn1c(-c2ccc(Br)cc2)n[nH]c1=S 12377876 FMBUYXXEXPSPQS-UHFFFAOYSA-N 420.361 3.988 0 50 HHAA O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2cccc3cccnc23)C1 12429893 RIYDVGMUGZCAFR-HXUWFJFHSA-N 409.555 3.566 0 50 HHAA CC(C)CN1C[C@@H](C(=O)NC2CCCCC2)C[C@@H](C(=O)Nc2ccc(F)cc2)C1 14754896 LHANVLGDTKUOCP-ZWKOTPCHSA-N 403.542 3.807 0 50 HHAA COc1cccc([C@@H](C)NC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)c1 15078067 CPKGQPOUSXBRTK-QGZVFWFLSA-N 422.525 3.966 0 50 HHAA Cc1ncc(CN2CCC(Oc3ccc(C(=O)NCc4ccncc4)cc3)CC2)s1 20136433 XCJTYYFVEMKLFS-UHFFFAOYSA-N 422.554 3.820 0 50 HHAA O=C(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 56896259 YWRYVRRBDUZEOE-HSZRJFAPSA-N 422.479 3.653 0 50 HHAA CC(C)(NC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)c1ccccc1 82137204 MNXOOURNQVKVFP-JOCHJYFZSA-N 420.601 3.810 0 50 HHAA CCc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(C)cc3)CC2)cc1 169770219 SMLHTGQLUXWOPG-UHFFFAOYSA-N 404.514 3.510 0 50 HHAA Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCC[C@H](CCC(N)=O)C4)ccc32)c1 409514509 QSABARXZZBENCN-GOSISDBHSA-N 404.514 3.760 0 50 HHAA CCO[C@H]1C[C@H](NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)C12CCOCC2 471554242 GHCNBDOBAYUZGI-ROUUACIJSA-N 410.436 3.901 0 50 HHAA O=C1Nc2ccccc2CC[C@@H]1N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 483513982 QBMOGRBVRWLVSU-SFHVURJKSA-N 418.324 3.705 0 50 HHAA O=C(C1CCN(c2noc3ccc(Cl)cc23)CC1)N1CC[C@@H]([C@H]2CCOC2)C1 486799757 WTXOVLVMEUSFDV-CVEARBPZSA-N 403.910 3.583 0 50 HHAA Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(CN(C)C)cc1 952977637 CUTOXTPFGGWQKK-GOSISDBHSA-N 415.515 3.830 0 50 HHAA COc1cccc2c1OC[C@H](C(=O)N[C@@H]1[C@H]3CC[C@@H]1CN(CC1CCCCC1)C3)C2 1857689723 WEURHDZSWYORHJ-SRUXOGRHSA-N 412.574 3.653 0 50 HHAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C(=O)C2Cc3ccccc3C2)CC1 1857723211 YPFYUYMHVQMIRJ-UHFFFAOYSA-N 405.542 3.701 0 50 HHAA CN(C(=O)c1cc(-c2cccs2)nc2onc(C3CC3)c12)[C@@H]1CN2CCC1CC2 1875257485 ALTZKJMLWDWDCW-QGZVFWFLSA-N 408.527 3.995 0 50 HHAA CCCCS[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)(F)F)CC1 1875333086 ZHUWLOGCNYSCDE-XHSDSOJGSA-N 402.551 3.936 0 50 HHAA Cc1cncc(CC(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)c4ccc(C)cc4C)C3)C2)c1 1875361656 YAMKVLVOKOCGPF-XZOQPEGZSA-N 419.569 3.950 0 50 HHAA COC(=O)[C@H](Oc1ccc(-c2cccnc2N2CCOCC2)cc1)c1cccc(O)c1 1875387672 RVLTVJVABGXMCX-JOCHJYFZSA-N 420.465 3.584 0 50 HHAA COc1cc2[nH]c(=N[C@@H](C)c3ccc(Br)c(C)c3)[nH]c(=N)c2cc1OC 2325824501 DNHFDEYJVJMMTK-NSHDSACASA-N 417.307 3.725 0 50 HHAA O=C(O)[C@@H]1CN(C(=O)Cc2c(F)cccc2Br)C[C@H]1Cc1ccccc1 2325851718 HAVZKKWBITVGGR-GDBMZVCRSA-N 420.278 3.533 0 50 HHAA O=C(c1cc(Cl)ccc1F)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356140236 ZWFUUKAZSLBBOL-OAQYLSRUSA-N 401.869 3.672 0 50 HHAA Cc1c(Cl)c(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)ccc12 627850 ZNLQDCLZFJJNJS-ZDUSSCGKSA-N 415.829 3.975 0 50 HHAA COc1cc2c(COC(C)=O)c(c1)CCc1cc(OC)cc(c1COC(C)=O)CC2 639962 BUFYPIRTXKMZPF-UHFFFAOYSA-N 412.482 3.714 0 50 HHAA CCOC(=O)Cn1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 663659 YLQXLBHPLFCIKS-VCHYOVAHSA-N 423.856 3.955 0 50 HHAA COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1I 1111103 BIYLPQZWDYWZPP-UHFFFAOYSA-N 423.659 3.754 0 50 HHAA C[C@H]1CCc2c(sc3nc(SCC(=O)N(C)C)n(-c4ccccc4)c(=O)c23)C1 4313374 YRWYTJIUAZLNHW-ZDUSSCGKSA-N 413.568 3.752 0 50 HHAA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(OC)c(OC)cc2Br)C1 5715005 JPTRSILQIARTDQ-AWEZNQCLSA-N 413.356 3.547 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)NCCc3ccccc3)C2)c1 11999873 SPYZQVRCQKNWIN-OAQYLSRUSA-N 423.557 3.756 0 50 HHAA COc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)o1 12301461 IYQRQGJQUDFTKH-OAHLLOKOSA-N 404.894 3.890 0 50 HHAA NC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCc1ccccc1-2 17093985 WSSQOBWVDYQCNW-YCUKKYJWSA-N 424.522 3.688 0 50 HHAA OCc1nnc(CC2CCN(Cc3cccc4[nH]ccc34)CC2)n1-c1ccccc1 55168723 VBVBXUMGSBFFNH-UHFFFAOYSA-N 401.514 3.696 0 50 HHAA CC(C)Oc1cccc2c1c(NC(=O)c1ccc(=O)[nH]c1)nn2-c1ccc(F)cc1 72428541 QDMLGTYNTMTNDN-UHFFFAOYSA-N 406.417 3.892 0 50 HHAA Cc1ccc(SCc2cc(=O)[nH]c(N3CCN(Cc4ccccc4)CC3)n2)cc1 96839837 NMIGAIIEXWLWIN-UHFFFAOYSA-N 406.555 3.693 0 50 HHAA Cc1ccc(C(=O)COc2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 100921489 JVDJVBTZNXPUJT-HTUUBCJYSA-N 401.462 3.877 0 50 HHAA O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 101464593 FQKVCURUSVXQAR-VCXDHIOWSA-N 414.811 3.719 0 50 HHAA Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)c1cc(O)nc2ccccc12 170620593 BZAXVZQNBHMEJQ-UHFFFAOYSA-N 407.495 3.690 0 50 HHAA Cc1ccccc1-n1cc(C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)cn1 225485907 AVPBRDKGUNFMBN-UHFFFAOYSA-N 410.905 3.919 0 50 HHAA COc1cc(C(N)=O)cc(Br)c1OCc1ccc(Br)cc1 226306735 TVKRZBBGCKWBQP-UHFFFAOYSA-N 415.081 3.898 0 50 HHAA COc1ccc2cc(S(=O)(=O)N3CCN(c4c(C)cccc4C)CC3)ccc2c1 231429302 KBFKATPFAHKJBV-UHFFFAOYSA-N 410.539 3.976 0 50 HHAA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C(=O)NC2CC2)C1 239377565 OCFLZJXDSMDXAV-VHDGCEQUSA-N 418.559 3.985 0 50 HHAA COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2OC)ccc1O 245253991 XQUREHCNYSPPLI-ANJVHQHFSA-N 411.498 3.918 0 50 HHAA O=C(Nc1ccc(OC2CCCC2)cc1)N1CC(S(=O)(=O)c2ccccc2F)C1 328596625 JIHXFEYQGKUVGB-UHFFFAOYSA-N 418.490 3.837 0 50 HHAA CNC(=O)c1cc(Oc2cccc(N[C@H]3CCN(c4ccccc4F)C3=O)c2)ccn1 427422756 XNKWUUMTXMUGSH-IBGZPJMESA-N 420.444 3.590 0 50 HHAA Cc1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 479572225 BESOIQATELCBRI-UHFFFAOYSA-N 410.293 3.536 0 50 HHAA O=C(C1CCN(Cc2ccc(-c3cc[nH]n3)s2)CC1)N1CCc2ccccc2C1 827972683 MFHIIIXCTPVSGQ-UHFFFAOYSA-N 406.555 3.935 0 50 HHAA CN1CCN(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](c2ccccc2)C1 1474791148 XCXLTRSVOMCFMO-XMMPIXPASA-N 422.550 3.943 0 50 HHAA NC(=O)[C@]1(c2ccccc2)CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 1857528512 FNARUDORUXGBCT-NBGIEHNGSA-N 419.525 3.662 0 50 HHAA Cc1[nH]nc(CCC(=O)N[C@@H]2CCCC23CCN(CCc2ccccc2)CC3)c1C 1857698376 NZORUJFXSRGMSX-HSZRJFAPSA-N 408.590 3.953 0 50 HHAA C[C@H]1CCN(C(=O)c2cccc3ccn(C)c23)C[C@H]1CNC(=O)c1ccncc1Cl 1875326754 JBMTWFWGRACCOZ-DOTOQJQBSA-N 424.932 3.755 0 50 HHAA CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1 1015425 IBYVIGBBMQKPDI-ZDUSSCGKSA-N 403.276 3.839 0 50 HHAA CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 1143305 JEMWBFPJKPIAPT-UHFFFAOYSA-N 406.813 3.618 0 50 HHAA COc1ccc(C(=O)NC[C@H](C)OC23CC4CC(CC(C4)C2)C3)c(OC)c1OC 4694826 APQBNQDTWHNATD-NSDYXAQKSA-N 403.519 3.816 0 50 HHAA CCn1c(SCC(=O)NCc2ccco2)nnc1-c1cn(CC)c2ccccc12 4757764 FWXHNZBMJKEUIH-UHFFFAOYSA-N 409.515 3.941 0 50 HHAA COc1cccc(/C=c2/sc3nc4c(Br)c(C)c(C)cc4n3c2=O)c1 6793850 OHDVPDVWKUEANZ-OQLLNIDSSA-N 415.312 3.845 0 50 HHAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2n[nH]c3c2CCC3)C1 11819345 AEMRUBXZZZDINF-DEOSSOPVSA-N 409.530 3.707 0 50 HHAA O=C(Cc1ccsc1)NC[C@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 11881287 JMBYWMXXZOBRTK-LJQANCHMSA-N 402.535 3.760 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCC([C@@H](O)c4cccs4)CC3)n2)cc1 12593384 NZHWHZXDMIXEAL-LJQANCHMSA-N 413.499 3.530 0 50 HHAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCc1ccccc1Cl)CC2 14732116 YFTMZPSBMGASGE-IBGZPJMESA-N 422.960 3.934 0 50 HHAA CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C/C(Cl)=C/c1ccccc1)CC2 14755722 NTEBRIFZJXECOX-ZHZULCJRSA-N 424.932 3.590 0 50 HHAA CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]3CN(C(=O)c4ccccc4F)CC[C@@H]32)cc1 14982981 FKCFDJDWMSVHAA-GCJKJVERSA-N 423.488 3.551 0 50 HHAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)[C@@H]2CC=CCC2)C3)cc1 15003348 AKHAUYHMGYXMRY-MJGOQNOKSA-N 411.523 3.533 0 50 HHAA O=C(NCCN1CCCCC1=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 15069254 BXKJDBGGDAZXEA-UHFFFAOYSA-N 411.889 3.814 0 50 HHAA O=C(c1ccc2c(c1)OCO2)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1 15071108 QYEHSRLHNZLKCI-UHFFFAOYSA-N 404.470 3.905 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)cc1 15078800 UQELNZLKSSJIQV-HXUWFJFHSA-N 418.497 3.714 0 50 HHAA CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 19884272 VZYSEAHSYUDUPQ-HOTGVXAUSA-N 416.543 3.948 0 50 HHAA Cc1cccc(-c2ncc(CN3CCN(CC4CCCCC4)[C@@H](CCO)C3)cn2)c1 20539132 QXTPQLJPPBBABF-DEOSSOPVSA-N 408.590 3.901 0 50 HHAA CC1(C)CCCN1Cc1cn(C2CCN(C(=O)Nc3ccccc3F)CC2)nn1 23619580 BPTGMFAFVUPPGJ-UHFFFAOYSA-N 400.502 3.661 0 50 HHAA Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCCn2ccnc2)cc1 33874836 KFXXZJNEZHXQEF-RCCKNPSSSA-N 422.916 3.822 0 50 HHAA CSc1nnc2c(n1)O[C@@H](c1c(C)nn(-c3ccccc3)c1O)Nc1ccccc1-2 100445073 ANFZYVWQEIFSGG-SFHVURJKSA-N 418.482 3.963 0 50 HHAA COc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(C)cc3C)C4)n2)cc1 169758520 QEPTZGWCGJJDLE-IBGZPJMESA-N 403.442 3.892 0 50 HHAA COC(=O)[C@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)C[C@@H]1c1ccc(F)cc1F 170595303 REHVAKCHZVARPI-MSOLQXFVSA-N 403.400 3.551 0 50 HHAA CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)CCc1ccc(Br)cc1F 240407383 FLVNEHLOAIDYPX-SYJLOODJSA-N 404.345 3.717 0 50 HHAA COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@H](C)Nc3nc(SC)nn32)cc1 247952308 KOLZEXYQKJPCGE-MORSLUCNSA-N 409.515 3.667 0 50 HHAA Cc1cc(NC(=O)CN[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)n(C(C)(C)C)n1 253417379 SBSQIYPSGJBGMP-IDHHARJASA-N 421.586 3.509 0 50 HHAA O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)C1CCC(Cn2cnnn2)CC1 299754405 KFCQFRXXNLDAOZ-JRSKDTKFSA-N 412.925 3.808 0 50 HHAA COc1ccc(Nc2nc(COC(=O)c3nnc(O)c4ccccc34)cs2)cc1 747421557 STJCVSMWZVFIPC-UHFFFAOYSA-N 408.439 3.901 0 50 HHAA O=S(=O)(c1ccc(F)cc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 1247653216 ZBJLQHIOSLCFCF-UHFFFAOYSA-N 405.426 3.583 0 50 HHAA CN1C(=O)C[C@@H](C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c2ccccc21 1317963389 XKKJLNSHLLRARS-LJQANCHMSA-N 412.917 3.655 0 50 HHAA Nc1ncc2c(n1)[C@@]1(CCCN(Cc3ccc(OCc4ccccn4)cc3)C1)CC2 1704311756 BSIHYDVLMJSUTF-DEOSSOPVSA-N 401.514 3.513 0 50 HHAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OC 862830 JQZUGTWYNIBZAH-GOSISDBHSA-N 401.850 3.624 0 50 HHAA CC[C@H](c1nc2ccccc2c(=O)n1-c1cccnc1)N1C(=O)c2ccccc2C1=O 1059122 FQAHDGRESNMTFF-HXUWFJFHSA-N 410.433 3.528 0 50 HHAA Cc1cccc(COc2nc3cc(C)ccc3cc2CN[C@@H]2CCS(=O)(=O)C2)c1 11786012 GDLHBPCTMMIPIB-OAQYLSRUSA-N 410.539 3.707 0 50 HHAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 11911346 XBPHFAJUQINSHC-OAHLLOKOSA-N 421.526 3.635 0 50 HHAA COc1ccccc1/C=C/CN1CCC2(CC1)C[C@@H]2C(=O)N(C)Cc1cscn1 12042603 BIFOXPDCNPMZHT-ZEZYUPADSA-N 411.571 3.926 0 50 HHAA CSCC(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 12205606 IGTQUROHGXJFIR-UHFFFAOYSA-N 402.604 3.850 0 50 HHAA COc1cccc(CN2CCC[C@H](NC(=O)CSc3nc4cc(C)ccc4[nH]3)C2)c1 12307106 DEWOVGGQXHGIGU-SFHVURJKSA-N 424.570 3.753 0 50 HHAA Cc1ncsc1CCC(=O)N(C)CC1CCN(CCc2ccc(F)cc2)CC1 12745286 SKNCCOADTNCRHZ-UHFFFAOYSA-N 403.567 3.936 0 50 HHAA CN1C(=O)C[C@](CC(=O)N2CCC[C@@H](c3ccccc3)CC2)(c2cccc(F)c2)C1=O 14970307 VSDXOMZBVUPCIW-CLOONOSVSA-N 422.500 3.639 0 50 HHAA COc1ccc(CN2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)cc1O 14999639 NDCVGIVTFCOCDW-MOPGFXCFSA-N 418.534 3.800 0 50 HHAA Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)o1 15066570 YKZHAFFGFMKKIC-KRWDZBQOSA-N 403.548 3.539 0 50 HHAA CNc1cc(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)ccn1 19144019 WJTQUCSPFNXIQS-QFIPXVFZSA-N 400.473 3.530 0 50 HHAA CN1CCC(N(CC2CCN(Cc3ccccc3F)CC2)C[C@@H]2CCCO2)CC1 20540193 UUNYSQSATRMLON-QHCPKHFHSA-N 403.586 3.613 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 20599808 KKUNUUAZJKQYAW-MRXNPFEDSA-N 421.419 3.547 0 50 HHAA CC(=O)N1C(=O)[C@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c2ccccc21 25572988 LFXYWSULDJWCCX-RCZVLFRGSA-N 409.445 3.976 0 50 HHAA Cc1ccc(NC(=O)c2cc(NC(=O)/C=C\C(=O)O)ccc2N2CCCCC2)cc1 32666873 AKSHIOJALZTQLT-QXMHVHEDSA-N 407.470 3.817 0 50 HHAA COc1cc(NC(=O)[C@H](C)n2cnc3ccccc3c2=O)ccc1NC(=O)CC(C)C 55384989 VHDONNHMXXOLCM-HNNXBMFYSA-N 422.485 3.589 0 50 HHAA Cc1cccc(OCCCCC(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1 225768377 FTRCZZYBEMUZMK-OAQYLSRUSA-N 408.498 3.788 0 50 HHAA COCCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@H](C)C1 252497020 PXLLAPFBZLMHMZ-CVEARBPZSA-N 408.930 3.560 0 50 HHAA O=C1CCN(C(=O)c2cccc(-c3ccccc3F)c2)CCN1Cc1ccncc1 299765454 HBPBATLTNCOTHC-UHFFFAOYSA-N 403.457 3.762 0 50 HHAA O=C(CC1(n2cccc2)CCOCC1)NCCn1c(C(F)(F)F)nc2ccccc21 409414510 SZWFPZCGSQLFCZ-UHFFFAOYSA-N 420.435 3.569 0 50 HHAA O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1c[nH]c(C(=O)N2CCCC2)c1 477882721 TZVDEQWGVWSSQV-KRWDZBQOSA-N 403.429 3.660 0 50 HHAA O=C(NCC1CCN(C(=O)c2cccc3cc[nH]c23)CC1)[C@@H]1CCc2ccccc21 827763188 HSLAHJKGHZGKIL-OAQYLSRUSA-N 401.510 3.866 0 50 HHAA C[C@@H](CCN(C)Cc1ccccc1CS(=O)(=O)c1ccccc1)N1CCCC1 1506416738 LENRFLOTXCVMPJ-FQEVSTJZSA-N 400.588 3.967 0 50 HHAA NC(=O)c1ccc2[nH]cc(C3CCN(Cc4ccn(-c5cccc(F)c5)n4)CC3)c2c1 1875259212 YTDWONXAFFYZOG-UHFFFAOYSA-N 417.488 3.971 0 50 HHAA CC[C@@H]1CCCN1C(=O)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 1875261622 VAKUWGSKJUIBSO-AUSIDOKSSA-N 422.525 3.579 0 50 HHAA CSc1ccc(C(=O)COC(=O)c2ccc3c(c2O)CCCC3)cc1NC(C)=O 2325853013 AELLELFYPVVMMT-UHFFFAOYSA-N 413.495 3.991 0 50 HHAA CC1(C)C[C@@H](NC(=O)c2cc3c(s2)CCOC32CCNCC2)c2ccccc2O1 2356161029 CRNUVAKYWHPPTK-QGZVFWFLSA-N 412.555 3.932 0 50 HHAA C[C@@H]1CCc2c(sc(NC(=O)COc3c(F)c(F)cc(F)c3F)c2C(N)=O)C1 656928 WYPCLRQTJCPCMN-SSDOTTSWSA-N 416.396 3.546 0 50 HHAA Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3N3CCOCC3)o2)cc1 669348 GIEMMZJIMOAYFW-UHFFFAOYSA-N 410.499 3.612 0 50 HHAA O=C(c1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 779569 FXLVZYWUGKXLBN-UHFFFAOYSA-N 414.914 3.640 0 50 HHAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 861086 BDDJLFJKCZNKKW-CTNGQTDRSA-N 408.454 3.829 0 50 HHAA biogenic CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@@H](C)Oc1ccccc1 1057125 DUFQFMDOPPAZRH-CQSZACIVSA-N 407.499 3.967 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)cc2)c(OC)c1 1159018 VUCNFJOWPZTQDG-SFHVURJKSA-N 401.850 3.624 0 50 HHAA COCc1ccc(CN2CCC[C@H](CCC(=O)NCc3cccc(OC)c3)C2)o1 11816815 RFGKIWZZLKJMGW-GOSISDBHSA-N 400.519 3.743 0 50 HHAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)[C@H]2CC=CCC2)CC1 11948469 DGKPSNPYEIMPAW-KRWDZBQOSA-N 408.502 3.664 0 50 HHAA CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cc[n+]([O-])cc1 12207219 CYJIDHIFZIGARO-DEOSSOPVSA-N 413.477 3.988 0 50 HHAA Cc1ccsc1C(=O)N1CCC2(CC[C@@H](CNC(=O)c3ccccc3F)O2)CC1 14881259 BRNHMKOESBGEOJ-INIZCTEOSA-N 416.518 3.779 0 50 HHAA CN1CCCN(C(=O)[C@@H]2CC23CCN(C/C(Cl)=C/c2ccccc2)CC3)CC1 14953930 BGKCSEGBOWRPAW-LDETYFQJSA-N 401.982 3.533 0 50 HHAA COc1cc(C[C@]2(CCC(=O)N[C@@H](C)Cc3ccsc3)CCC(=O)N2)ccc1F 14998692 QPJGYJPBVNNMNT-NYHFZMIOSA-N 418.534 3.615 0 50 HHAA COc1cccc(NC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CC[C@H](C)C3)c1 17090671 FSYMEWGOSCPFJH-LBPRGKRZSA-N 416.499 3.937 0 50 HHAA COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1C 55325891 JKOGNOBPWWQKOR-QFIPXVFZSA-N 407.558 3.739 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)nn2)nc1 72139991 CCYQNUZWVRTJCF-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 100394927 FQKVCURUSVXQAR-NXPNQGMMSA-N 414.811 3.719 0 50 HHAA COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)c2)cc1 239438996 ZHDUETSVHPQFSE-KKFDQILXSA-N 414.461 3.505 0 50 HHAA O=C(Oc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1F 245311719 QOUJYOJZBOKUNZ-OFDSONOTSA-N 403.409 3.602 0 50 HHAA Cc1cccc(=O)n1CCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 426379694 KVVWAMYEIUOSOT-UHFFFAOYSA-N 400.482 3.624 0 50 HHAA C/C=C/C[C@@H](CO)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 474641220 XKIDYCMBYZHXGI-PBKGFPTLSA-N 423.222 3.650 0 50 HHAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)Nc1ccc2c(c1)OC1(CCCCC1)O2 486671302 NSQSALDGTNJIEG-KJUNRCKNSA-N 422.525 3.749 0 50 HHAA Cc1csc([C@@](O)(CC(=O)N2CCC(c3ncc(C)s3)CC2)C(F)(F)F)n1 762733542 MKHQXKXNERCTGB-INIZCTEOSA-N 419.494 3.763 0 50 HHAA O=C(Cc1cc(-c2ccccc2)on1)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 766736988 FOVLKFSFGMMCSI-OAHLLOKOSA-N 413.836 3.598 0 50 HHAA COc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C4CCOCC4)C3)cn2)c1 824788018 WDKPLQCUUXBEKL-KRWDZBQOSA-N 411.502 3.712 0 50 HHAA CN(C)c1nc(Cl)c(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)s1 857460177 ZNLQMIINGHTUCO-UHFFFAOYSA-N 404.845 3.892 0 50 HHAA O=C1NCCN(C(=O)c2ccc3c(c2)CCC=C3)[C@H]1c1ccc(C(F)(F)F)cc1 1266882759 JLGRVEZZSHTFPF-IBGZPJMESA-N 400.400 3.978 0 50 HHAA Cn1c(=O)cc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c2ccccc21 1318633918 XNQYJZFQUUZVSR-UHFFFAOYSA-N 422.488 3.867 0 50 HHAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)on1 1506413708 LSRPHVCGCCCPHX-LLVKDONJSA-N 416.381 3.511 0 50 HHAA COc1ccc([C@H](CC(=O)NCCCN(C)C)c2ccc3cccnc3c2O)cc1 1776111329 PFAZCYJCTFGGOW-NRFANRHFSA-N 407.514 3.539 0 50 HHAA Cc1cc(C(=O)N2CCC3(CC2)OCCc2cc(OCC4CCC4)ccc23)nc(C)n1 1857670359 JHYNYTPNGIKHRO-UHFFFAOYSA-N 421.541 3.977 0 50 HHAA CCc1n[nH]c(=Nc2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)s1 1857800216 HSXLBXSOXUHXHS-UHFFFAOYSA-N 400.938 3.517 0 50 HHAA CNC(=O)c1ccc(CN2C[C@H](c3ccc4c(c3)OCO4)O[C@H](c3ccccc3)C2)o1 1875240814 GGTLQIOYYZTPLI-XZOQPEGZSA-N 420.465 3.683 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)C1 1875371719 JZRDFUJLWWVJKI-XJKSGUPXSA-N 423.376 3.869 0 50 HHAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CC=C(c2ccccc2)CC1 1940197631 DQMCEPHHXAKOGC-UHFFFAOYSA-N 400.478 3.894 0 50 HHAA C[C@H](NC(=O)CCC(=O)N[C@H](C)c1nc2ccccc2s1)C(=O)c1ccccc1 2325730808 DAQWXABNCPTICP-LSDHHAIUSA-N 409.511 3.641 0 50 HHAA CCO[C@@H]1C[C@@H]1C(=O)NC1(C(=O)Nc2ccc(Br)cc2)CCCCC1 2325824159 RKJFRKJDXWJVAO-JKSUJKDBSA-N 409.324 3.632 0 50 HHAA Cc1ccsc1S(=O)(=O)NC(=O)NCCCc1ccc(Cl)cc1Cl 2325841521 YERIEZQCKBLFCY-UHFFFAOYSA-N 407.344 3.984 0 50 HHAA O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 670576 IDMMBTFWEKZADI-UHFFFAOYSA-N 410.495 3.642 0 50 HHAA O=C1C(Cl)=C(Nc2ccccc2)C(=O)N1c1ccc(I)cc1 947621 KMIPWKBHFGADIU-UHFFFAOYSA-N 424.625 3.727 0 50 HHAA Cn1nccc1CNC(=O)c1cccc(COc2ccc(Br)cc2)c1 2772054 WNDBHRTUNTVUAI-UHFFFAOYSA-N 400.276 3.692 0 50 HHAA COC(=O)Cc1c(C)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2oc1=O 2858915 NHUSMRRDKNUEQN-UHFFFAOYSA-N 423.465 3.760 0 50 HHAA COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 2962850 ZHZBPGAHPBHTKV-UHFFFAOYSA-N 400.784 3.665 0 50 HHAA CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 4147517 CDKCFQOBDRTWOI-UHFFFAOYSA-N 409.511 3.908 0 50 HHAA COc1ccc(CCN2C(=O)CC[C@@H](C(=O)O)[C@@H]2c2ccc(Cl)cc2)cc1OC 4759733 UCMMELSTVMGLSK-UTKZUKDTSA-N 417.889 3.964 0 50 HHAA CCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1Cl 9427045 RDSOUSPYAWIZHQ-UHFFFAOYSA-N 401.894 3.660 0 50 HHAA CCCCc1nc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccc2OC)c[nH]1 11785234 BGYBSVAVBCFXPZ-OAQYLSRUSA-N 424.589 3.722 0 50 HHAA CC[C@@H]1CCCCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 11870861 JQURDRJCRVGWNY-NTKDMRAZSA-N 414.521 3.946 0 50 HHAA COc1cccc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)c1 11969298 JBYNWJVZZBVNSQ-IBGZPJMESA-N 407.445 3.642 0 50 HHAA CCN(CC)CC(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@H]1CCCO1 12373326 HPDBLLPZLCALRO-XMMPIXPASA-N 415.622 3.556 0 50 HHAA Cc1n[nH]cc1C(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 12431478 RIXQFCOCHNYMBR-UHFFFAOYSA-N 422.573 3.832 0 50 HHAA C[C@H](CC1CC1)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 12592993 BXVLMHFZWWYKTP-MRXNPFEDSA-N 407.986 3.663 0 50 HHAA CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1ccoc1)CC2 14531484 MNOQXCSBOBZGGB-UHFFFAOYSA-N 403.482 3.862 0 50 HHAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)cc1 15067403 VYYSFKWJWGDDSW-FQEVSTJZSA-N 404.514 3.623 0 50 HHAA COc1ccccc1NC(=O)C[C@@H]1Cn2ncc(-c3ccc(Cl)cc3)c2NC1=O 16647561 NSINXMVVNGOMLR-CQSZACIVSA-N 410.861 3.809 0 50 HHAA O=C(NCCSCc1ccccc1Cl)c1ccc(CN2CCOCC2)cc1 20238783 RUTUFTVGTYLXII-UHFFFAOYSA-N 404.963 3.835 0 50 HHAA CCN(Cc1cccc(OCCO)c1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 55244911 LCPNDANJCQSZLQ-QHCPKHFHSA-N 414.565 3.973 0 50 HHAA Cc1cn2nc(C(=O)NCc3ccc(C(C)C)cc3)cc2c(N2CCSCC2)n1 169768811 CMSOSEDGZOGSPD-UHFFFAOYSA-N 409.559 3.644 0 50 HHAA CN(Cc1cccc(Cl)c1)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 170607843 QEKQWMLHHQDTBA-WOJBJXKFSA-N 423.900 3.890 0 50 HHAA C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc3c(cn2)OCCC3)CC1 1342137130 BDHBIBVJLLFRSI-OAHLLOKOSA-N 408.527 3.535 0 50 HHAA O=C(c1cc(C(F)F)[nH]n1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704297549 CBJHUEHCZPDEAY-QFIPXVFZSA-N 409.440 3.925 0 50 HHAA COCC1(NC(=O)C[C@H]2CCCN(c3nc4cc(OC)ccc4o3)C2)CCCC1 1857696967 GYIXOQCIEDHSDG-MRXNPFEDSA-N 401.507 3.518 0 50 HHAA Cc1ccc(-c2cc(CN3C[C@@H]4OCCC(=O)N(Cc5ccccc5)[C@H]4C3)on2)cc1 1857716813 FPTPYXVYMSVBJN-ZEQRLZLVSA-N 417.509 3.652 0 50 HHAA CN1CCC2(CCN(C(=O)[C@H]3CCCN(c4nc5cc(Cl)ccc5o4)C3)CC2)C1 1857736497 RLFSYGMOMBJAKW-INIZCTEOSA-N 416.953 3.642 0 50 HHAA Cc1ccc2nc(NC(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)sc2n1 2325852810 UJKCBHKKYWVAHS-UHFFFAOYSA-N 411.512 3.770 0 50 HHAA Cc1cnnc(-c2ccc(C(=O)N3CCC(OCc4ccccn4)CC3)cc2)c1C 2356169643 FWLIEFMVEAHAQA-UHFFFAOYSA-N 402.498 3.977 0 50 HHAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1 978969 FSDGLFUAMYFZNS-MRXNPFEDSA-N 401.532 3.568 0 50 HHAA COc1c(C)cc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(C)c1C 1119989 RRFHIVAYLGKGKS-UHFFFAOYSA-N 408.951 3.785 0 50 HHAA COc1cccc(N2C(=O)c3ccc(C(=O)Nc4cc(C)ccc4O)cc3C2=O)c1 1175357 NCUNBVIZVCOZOA-UHFFFAOYSA-N 402.406 3.762 0 50 HHAA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2Cl)NC(=O)N1C 2057826 KOCXSCGTLRZKQX-LJQANCHMSA-N 400.862 3.932 0 50 HHAA COc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3c(C)csc3n2)c1 8603750 GTZTULFSOSTURT-UHFFFAOYSA-N 421.478 3.904 0 50 HHAA CCCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)s1 9226143 MWRZNOAUVBKNLD-UHFFFAOYSA-N 417.564 3.531 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(N(C)C)cc1 10163956 OVJBIGLOWPDPHT-UHFFFAOYSA-N 411.531 3.770 0 50 HHAA O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCC[C@H]1c1ccc(F)cc1 12300411 SPXWZTRPMDJUDB-KRWDZBQOSA-N 409.417 3.901 0 50 HHAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@H]1CCN1CCCC1 12315822 VULJWMRSKXBTBS-SFHVURJKSA-N 419.932 3.600 0 50 HHAA Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)CCc3ccccn3)C2)c(C)cc1Cl 12434546 LAPZPUGWSBIQQC-LJQANCHMSA-N 421.994 3.679 0 50 HHAA Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1NS(=O)(=O)c1ccccc1 13677372 VQYGPEXLMLTION-UHFFFAOYSA-N 406.507 3.994 0 50 HHAA CC[C@H](C)N1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C 14541115 YGDLGABTKGVDOA-FQEVSTJZSA-N 414.594 3.958 0 50 HHAA CCOC(=O)Nc1ccc2c(c1)N(C(=O)[C@@H](C)N1CCOCC1)c1ccccc1CC2 19338326 FQYSHXRQTMYISI-QGZVFWFLSA-N 423.513 3.739 0 50 HHAA COc1ccc(CN2CCN(Cc3ccccc3Br)CC2)cc1OC 19781589 JPXLPDZXCKWPRR-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA O=S(=O)(c1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 19808135 JLNJACLPIXCYTF-UHFFFAOYSA-N 408.523 3.985 0 50 HHAA CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1ccc(Br)s1 20602025 GKUZVNXJAMCEGD-UHFFFAOYSA-N 406.371 3.555 0 50 HHAA Cc1csc2ncnc(-c3cccc(-c4ccn(CCN5CCOCC5)n4)c3)c12 20996511 FTWJUJWJPOQKTC-UHFFFAOYSA-N 405.527 3.862 0 50 HHAA CC(C)(C)OC(=O)n1nc(I)c2cc(Br)cnc21 66054178 NXIOVBJEZOJTPW-UHFFFAOYSA-N 424.036 3.582 0 50 HHAA COc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C(C)[C@@H](C5)[C@H]4C3=O)c2)c1 101876011 KQDZIQOOXXYAJF-PSMQTCRGSA-N 402.450 3.649 0 50 HHAA C[C@H]1CCN(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c2ccccc2S1 169295811 CKPPZTVWXZYQBP-ONQFPYBPSA-N 415.555 3.778 0 50 HHAA O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 169680865 KVPDPAYJXWEZAU-ZQIUZPCESA-N 414.836 3.609 0 50 HHAA COc1ccc([C@@H]2Cn3nnc(-c4noc(C5(c6ccccc6)CC5)n4)c3CO2)cc1 169780520 HNQGWRCOEVKZGF-IBGZPJMESA-N 415.453 3.688 0 50 HHAA Cc1sc2nc([C@@H](C)OC(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)[nH]c(=O)c2c1C 221999245 LCKYULGSCNFWNK-VPVDRVICSA-N 402.516 3.537 0 50 HHAA O=C(CN1CCC[C@H]2CCCC[C@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 230063591 RUOAGGNHMSYGST-RHSMWYFYSA-N 407.440 3.879 0 50 HHAA CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)CC1 238882050 CBHYCDCXYDIMQW-MQSCRBSSSA-N 407.558 3.888 0 50 HHAA Cc1cc(NC[C@@H](NCc2ccccc2)C(F)(F)F)n2nc(C(F)(F)F)nc2n1 239351925 AAOOPTOPCKRNDW-GFCCVEGCSA-N 418.345 3.584 0 50 HHAA COCCn1c([C@@H](C)NC(=O)CCn2ccc3cc(OC)ccc32)nc2ccccc21 252486255 HKJFPWQOSFXTLI-QGZVFWFLSA-N 420.513 3.914 0 50 HHAA O=C(Cc1coc(-c2ccc(F)cc2)n1)NC[C@@H](CO)Cc1c(F)cccc1Cl 444490195 TWCWFJZEGOLNGC-ZDUSSCGKSA-N 420.843 3.783 0 50 HHAA CCC[C@@H]1CN(C(=O)c2ccnc(Cl)c2)CCN1C(=O)c1ccnc(Cl)c1 753441432 IURPKANFVSNRCB-OAHLLOKOSA-N 407.301 3.550 0 50 HHAA O=C(OCc1csc(-c2ccccn2)n1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 779103950 ZATQXRMSTAXHIT-SNVBAGLBSA-N 408.405 3.795 0 50 HHAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)CCN1Cc2ccccc2C1=O 828072053 CUZFGLIFGOCPFM-KRWDZBQOSA-N 405.498 3.686 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)c2ccc3c(=O)n(C)cnc3c2)cc1 952872545 QVOJDRPNQZGXFK-UHFFFAOYSA-N 401.422 3.987 0 50 HHAA COc1ccc(NC(C)(C)C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1 1506425837 GTRMNRYLOHWCAM-UHFFFAOYSA-N 410.518 3.698 0 50 HHAA COc1ccccc1-c1ncc(CN2CCC[C@@]3(CCc4cnc(N)nc43)C2)s1 1704301166 NGUBWTORYVMZDT-JOCHJYFZSA-N 407.543 3.671 0 50 HHAA Cc1cc(C)n(CCC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 1704338890 JLADMGHEJYZKLO-RUZDIDTESA-N 415.541 3.854 0 50 HHAA O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1CCC2(CCCO2)CC1 1857726687 CIVVBEFMANPRNP-UHFFFAOYSA-N 403.910 3.869 0 50 HHAA COc1ccc([C@H](NC(=O)CN[C@@H](C)c2cc(F)ccc2-n2cccn2)C2CC2)cc1 1875256622 FLSIEWOKUDAMRV-UPCLLVRISA-N 422.504 3.938 0 50 HHAA COCCOCCCSCc1cc(OC)c(C(=O)OC)cc1Br 1875341047 DFUANZNWKXWPKJ-UHFFFAOYSA-N 407.326 3.531 0 50 HHAA COc1cccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 660496 RXHZJSFSRSKEKQ-UHFFFAOYSA-N 403.467 3.556 0 50 HHAA COc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc(Cl)cc3)C2)cc1OC 890351 VCQQLXDZKSPAHO-KRWDZBQOSA-N 416.861 3.900 0 50 HHAA O=C(NC(=S)Nc1ccc(I)cn1)c1cc2ccccc2o1 1135023 JIVWUEFNODMFKA-UHFFFAOYSA-N 423.235 3.559 0 50 HHAA COc1ccc(S(=O)(=O)NCCc2sc(-c3ccccc3)nc2C)cc1OC 4346952 HJAZTNUBZBJVMA-UHFFFAOYSA-N 418.540 3.657 0 50 HHAA CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O 4694606 PAVRCBORQZSTDL-RIYZIHGNSA-N 413.879 3.735 0 50 HHAA COc1cc(C2=N/C(=C\c3cccc(Br)c3)C(=O)O2)cc(OC)c1OC 6603439 WBHWBFCILFHKFA-ZSOIEALJSA-N 418.243 3.819 0 50 HHAA CCCN(C[C@@H]1CCCO1)C(=O)C1CCN(c2nc(C)c3cc(C)ccc3n2)CC1 11815270 JGSNVJDVVXNWPF-FQEVSTJZSA-N 410.562 3.881 0 50 HHAA COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)CCC(F)(F)F)CC2)cc1 12075838 LYMZCAAFTADBGI-UHFFFAOYSA-N 424.423 3.650 0 50 HHAA O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)c1cc2ccccc2[nH]1 12194769 GNZQGDISSJVYHI-SFHVURJKSA-N 405.498 3.581 0 50 HHAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NCc1ccc(Cl)cc1)CC2 14731895 VKGGOKFMCBTILV-KRWDZBQOSA-N 412.921 3.586 0 50 HHAA O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 17987493 YKFAPIXMKVIBJU-ROUUACIJSA-N 419.886 3.787 0 50 HHAA Cc1ccc([C@@H](NC(=O)c2sc3ncn(C)c(=O)c3c2C)c2cccnc2)c(C)c1 55252673 NMDSUYROGNZIPU-IBGZPJMESA-N 418.522 3.835 0 50 HHAA C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O 100548061 ATYQIUHYOIPPCZ-LRDDRELGSA-N 405.235 3.974 0 50 HHAA COc1ccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)no2)cc1OC 169769419 HHNLVNKAPFWCGW-LJQANCHMSA-N 419.441 3.592 0 50 HHAA O=C1O[C@@H](C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)Cc2ccccc21 170627136 GMGIKYIPAUTJNE-PBBNMVCDSA-N 405.475 3.715 0 50 HHAA COC(=O)[C@H](NC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21)c1ccccc1 253369313 AWTTZWCCGXRIMO-LHGONGGSSA-N 423.557 3.505 0 50 HHAA O=C(N[C@H](CC1CC1)c1cc(F)cc(Br)c1)c1ccc2nnc(O)n2c1 428249145 RPGZRWGEJKCQCC-OAHLLOKOSA-N 419.254 3.608 0 50 HHAA CCCC(CCC)C(=O)N1CCCN(C(C)=O)[C@@H](c2ccccc2)CC(=O)NCC1 952866071 YYLHDTAQAVJUDJ-JOCHJYFZSA-N 415.578 3.531 0 50 HHAA COc1c(C)cc([C@@H](C(=O)O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1C 1506420465 DWXRHEPWGBINLS-FQEVSTJZSA-N 412.534 3.635 0 50 HHAA CC(C)(C)c1cc(C(=O)N2C[C@H]3CCC[C@]3(c3nc(Cc4ccccc4)no3)C2)[nH]n1 1857529010 ZSWWTICMWSAKCU-OSPHWJPCSA-N 419.529 3.875 0 50 HHAA O=C(NC[C@H](O)Cc1cccc(F)c1)Nc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 2325879265 OPQBBBYTZWEZRX-MRXNPFEDSA-N 422.382 3.960 0 50 HHAA CCC[C@@]1(CO)CN(Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC[C@H]1O 2356165823 PSNXCYFYDVBOOQ-VWNXMTODSA-N 409.530 3.786 0 50 HHAA O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)NCc1ccccc1 904254 JXCXJLMAXVXEDB-UHFFFAOYSA-N 419.485 3.877 0 50 HHAA CCn1c(SCC(=O)N2CCCCC2)nc2sc3c(c2c1=O)CCCCC3 944683 GCJMUXAMQUARFV-UHFFFAOYSA-N 405.589 3.851 0 50 HHAA Cc1ccc(CNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 1099299 IHOUYTFQQXUFMD-UHFFFAOYSA-N 408.523 3.891 0 50 HHAA CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 1130944 WMPTUJZAWOBWLG-UHFFFAOYSA-N 405.907 3.889 0 50 HHAA aggregator Cc1cc(Br)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 1160306 NCQBSNHRDUDXES-UHFFFAOYSA-N 407.283 3.624 0 50 HHAA CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)c(OC)c3)N2C1=S 2105909 OFRSGGHMZGCSGZ-UTKZUKDTSA-N 421.522 3.648 0 50 HHAA biogenic CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc(C)n(C)n1 2784682 QYPLNXUULNGUSQ-UHFFFAOYSA-N 408.890 3.530 0 50 HHAA COc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)ccc1OC1CCN(C(C)=O)CC1 11753767 KRWPQGUZFGPLOA-ICSRJNTNSA-N 414.546 3.737 0 50 HHAA CCCc1cc(C(=O)N2CCC[C@@](Cc3ccccc3F)(C(=O)OCC)C2)n(C)n1 11933421 NUXITNFKBNUHQG-QHCPKHFHSA-N 415.509 3.540 0 50 HHAA CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCN2CCCC2=O)cc1 12090498 VINMCECDGAJPIF-HXUWFJFHSA-N 408.546 3.676 0 50 HHAA CN(CCCC1CCCC1)C(=O)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12748357 AIDCLBUYYQXFAX-NRFANRHFSA-N 403.611 3.528 0 50 HHAA c1ccc(CCN2CCC(N[C@H]3CCCc4c3cnn4-c3ccccn3)CC2)cc1 19224771 HHRMVQSDNGHAJF-QHCPKHFHSA-N 401.558 3.941 0 50 HHAA Cc1noc(C)c1COc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1 20616214 NYDDUQGUAZVOEJ-UHFFFAOYSA-N 423.488 3.968 0 50 HHAA O=C(c1cc(F)c(F)cc1F)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55042669 JVECWNBAQKCKTG-KRWDZBQOSA-N 421.438 3.670 0 50 HHAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2cnc(SC)nc2)C1 55576121 BOIDZSPBIWRGQC-QFIPXVFZSA-N 415.559 3.595 0 50 HHAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cnc(SC)nc2)C1 55576124 BOIDZSPBIWRGQC-JOCHJYFZSA-N 415.559 3.595 0 50 HHAA O=C(c1cccs1)[C@@H]1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 170623511 AKEUCVWDCLRVMV-ZOWXZIJZSA-N 420.865 3.670 0 50 HHAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1 170623936 VMEYUXVWJGJSQB-UHFFFAOYSA-N 424.950 3.567 0 50 HHAA C[C@@H]1Sc2ccc(C(=O)N3[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]3C)cc2NC1=O 225559052 XEPXNFVFWMLSFA-MJBXVCDLSA-N 419.547 3.589 0 50 HHAA Cc1nn(C)c(C)c1CC(=O)OCc1c(F)c(F)c(Br)c(F)c1F 225691778 IOMMXCALBBHSGJ-UHFFFAOYSA-N 409.177 3.642 0 50 HHAA C[C@H](NC(=O)CN1C(=O)N[C@]2(C1=O)[C@@H](C)CCC[C@H]2C)c1cccc2ccccc12 248382668 XSMZFHHCKSOTGQ-WIBJQZJXSA-N 407.514 3.764 0 50 HHAA COC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1cc2ccccc2n(CC(C)C)c1=O 253413974 WCZBLOXCZPWVQL-INIZCTEOSA-N 423.465 3.787 0 50 HHAA biogenic O[C@@H](c1cccnc1)c1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccccc1)CCO2 299759312 QJPVIDDMDHFWNL-RUZDIDTESA-N 412.493 3.948 0 50 HHAA CCOc1ccc([C@@H](COC)N2C(=O)[C@H](Cc3cccc(Cl)c3)N=C2O)cc1 328595066 JVXXJJPOLGDFSC-RBUKOAKNSA-N 402.878 3.794 0 50 HHAA COc1ccc2cc(C(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)c(C)nc2c1 479263544 OJAWWEUDCXWOHW-UHFFFAOYSA-N 408.473 3.901 0 50 HHAA O=C(Cc1c[nH]c2ccccc12)N1CCCN(C(=O)[C@H]2CCc3ccccc32)CC1 1704337215 SVNIBKNNFKTRTH-QFIPXVFZSA-N 401.510 3.501 0 50 HHAA C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2)C1 1875256272 VUIHMKZUWFBKNX-INIZCTEOSA-N 412.559 3.750 0 50 HHAA O=C1CCC[C@@H](c2cccc(NC(=O)c3cnn4c(-c5ccccc5)ccnc34)c2)N1 1875279551 WHBWKQCEWSYVHU-FQEVSTJZSA-N 411.465 3.990 0 50 HHAA CCOC(=O)c1c(NC(=O)N[C@H]2CCc3ccc(Br)cc32)cnn1CC 2325823910 IIEHERCKALNXFC-AWEZNQCLSA-N 421.295 3.651 0 50 HHAA Cc1c2ccc(NC(=O)C[C@@H](CN)c3ccc(Br)s3)cc2nn1C 2325861630 VVHIFYOXIAQILF-NSHDSACASA-N 407.337 3.777 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)COc3ccccc3Cl)C2)[C@@H]2CCCC(=O)N12 2356146171 VFSDEGFGSGWNDX-NBMJBFSESA-N 404.938 3.747 0 50 HHAA CSc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c1 687370 XEVDGOHCDISPIV-UHFFFAOYSA-N 405.936 3.765 0 50 HHAA O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc12)N1CCC2(CC1)OCCO2 1073698 YSZMFMOYHYZVEM-UHFFFAOYSA-N 409.873 3.929 0 50 HHAA CC[C@@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 2994495 QXGYSMYXEACDCO-CQSZACIVSA-N 412.914 3.585 0 50 HHAA COC(=O)CCC(=O)c1ccc(CCc2ccc(C(=O)CCC(=O)OC)cc2)cc1 4845712 NNLGYFOYLIACGM-UHFFFAOYSA-N 410.466 3.744 0 50 HHAA Sc1nnc(COc2ccccc2I)n1-c1ccccc1 5557365 ARUUWDABEONAQB-UHFFFAOYSA-N 409.252 3.740 0 50 HHAA C[C@@H](C(=O)N1CCC2(CC[C@@H](CNC(=O)c3ccccc3F)O2)CC1)c1ccccc1 11839081 OUTKEDCLMTYECI-QUCCMNQESA-N 424.516 3.899 0 50 HHAA CSc1ncccc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 12596643 OCWOHPWYEGZUOM-MRXNPFEDSA-N 415.534 3.891 0 50 HHAA O=C(NCc1c(F)cccc1F)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12711806 SRMCJXMWTCRTNU-UHFFFAOYSA-N 414.452 3.675 0 50 HHAA O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 15072722 ARJOCDVSDCPEHO-XMMPIXPASA-N 423.601 3.896 0 50 HHAA Cc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1C 54225029 UGNVSBVQWISUQK-UHFFFAOYSA-N 402.336 3.827 0 50 HHAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2nc3ccccc3[nH]2)C1 76996808 IMNNDLKRRHPBDR-XMMPIXPASA-N 407.514 3.960 0 50 HHAA COc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 100702740 DMRCQKATQIAHDF-DNVJHFABSA-N 414.461 3.742 0 50 HHAA O=C(Nc1ccccc1CN1CCOCC1)N(CCN1CCCCCC1)C1CCC1 253424595 IJDBQGQUAFJSOL-UHFFFAOYSA-N 414.594 3.781 0 50 HHAA O=C(NCc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 390826875 CMDLPOPJXJYAMB-GJPOJAMWSA-N 409.530 3.520 0 50 HHAA biogenic O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cnc(Cc2ccccc2)s1 431444402 KDYWCZVWMIQUSO-GOSISDBHSA-N 405.479 3.641 0 50 HHAA CCc1cc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)cc(O)n1 480594069 GIBHNVHSTHBYSM-UHFFFAOYSA-N 401.264 3.609 0 50 HHAA NC(=O)[C@@H]1CCCN(Cc2cccc(CN[C@H]3CCCOc4ccc(F)cc43)c2)C1 482636849 ACUSLUYAUQRTRU-KNQAVFIVSA-N 411.521 3.527 0 50 HHAA Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@]3(Cc2cscn2)C(=O)NCc2ccccn2)o1 1704314502 UAHJZLBJXVFFLW-NWSQWKLXSA-N 422.554 3.722 0 50 HHAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1-n1ccnc1-c1c(F)cccc1Cl 1857685614 ZWKQARCSBULHAM-CYBMUJFWSA-N 408.886 3.505 0 50 HHAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NCc1ccc2ccccc2n1 1857700776 LMZUAZHOAKVUDK-MRXNPFEDSA-N 401.470 3.694 0 50 HHAA O=C(c1ccc(O)c(Cl)c1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857715022 XSAPVMAENAJJEW-SFTDATJTSA-N 400.906 3.724 0 50 HHAA Cc1onc(-c2ccncc2)c1C(=O)O[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1=O 1875254212 GIXKQWAQXRNPIB-WOJBJXKFSA-N 417.465 3.880 0 50 HHAA COC(=O)c1nc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2sccc2n1 2325863866 ZREYVIRYLAYGNT-UHFFFAOYSA-N 422.432 3.823 0 50 HHAA Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 686853 XZJSIPNKPQCKKC-UHFFFAOYSA-N 414.449 3.890 0 50 HHAA CC(C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br 1023709 VGYKSMBQBMXNHE-UHFFFAOYSA-N 417.185 3.909 0 50 HHAA Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Br)cc2)CC1=O 1233544 VUVORKLTZAMXMT-HNNXBMFYSA-N 416.271 3.537 0 50 HHAA COC(=O)c1c(C(=O)OC)c2ccc3cc(OC)ccc3n2c1C(=O)c1ccccc1 2544901 OJZLMRKAGYNEEX-UHFFFAOYSA-N 417.417 3.905 0 50 HHAA CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)c1C 2808625 DXYDWUOYQUFFEZ-UHFFFAOYSA-N 406.364 3.842 0 50 HHAA COc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc(OC(F)F)cc2)cc1 3104150 DONZALOUMKCURO-QFIPXVFZSA-N 403.449 3.947 0 50 HHAA Cc1nc(CNCc2cccc(OC[C@@H](O)CN(C)C3CCCCC3)c2)cs1 12076819 XVCSOKPXMHVAGP-NRFANRHFSA-N 403.592 3.746 0 50 HHAA CC(C)(C)CN1CCN(c2cccc3c2C(=O)N(CCc2cccc(F)c2)C3=O)CC1 12245897 NZFQMHJABNRZBA-UHFFFAOYSA-N 423.532 3.833 0 50 HHAA COc1ccc(C(=O)N2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)o1 12586468 CBTQTJZQDTXHBH-UHFFFAOYSA-N 422.485 3.533 0 50 HHAA COc1ccc(CN2CCCCCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 15062378 XFXPPJZKEIHVSW-QHCPKHFHSA-N 412.574 3.943 0 50 HHAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4nccn4C)C3)cc2)c1 15065538 MZZVNPBWTWSPEF-FQEVSTJZSA-N 404.514 3.946 0 50 HHAA Cc1cnc(CN[C@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)cn1 15071096 QRJHFUKJIFEOHL-KRWDZBQOSA-N 423.586 3.784 0 50 HHAA Cc1ccc(-c2n[nH]c(=S)c3ccccc23)cc1S(=O)(=O)NC[C@H]1CCCO1 18116756 QJTQRWDZFWMEET-OAHLLOKOSA-N 415.540 3.725 0 50 HHAA CC(C)(CN1CCOCC1)CN1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 19222367 UOOKEUKXPMFVSC-SANMLTNESA-N 413.650 3.766 0 50 HHAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 21795141 FMPCKKZAVMUAJO-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA CCCCOc1ccc(CN2CCN(CC(=O)NCCC3=CCCCC3)CC2)cc1 22751950 QMGWJNJFDNWCBO-UHFFFAOYSA-N 413.606 3.990 0 50 HHAA CCOc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(OC)cc5)no4)c3CO2)cc1 169758428 DAFYXNDWUCQOJC-LJQANCHMSA-N 419.441 3.674 0 50 HHAA COc1cc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCCN2C3=O)cc(OC)c1 169766012 IQQDXOHMNWGPJO-NRFANRHFSA-N 409.486 3.748 0 50 HHAA Cc1ccc(C(=O)c2ccccc2NC(=O)CCNS(=O)(=O)c2ccccc2)cc1 170612603 UQKUHHPVFSEILN-UHFFFAOYSA-N 422.506 3.533 0 50 HHAA CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 170654879 WJBOWKAXLZCAJA-AUSIDOKSSA-N 408.542 3.756 0 50 HHAA Cc1nc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)cc(C(F)(F)F)n1 225733703 UGQLPAGZLXPJCF-QPJJXVBHSA-N 410.827 3.819 0 50 HHAA CN1CCC[C@H](COC(=O)CCc2cnn(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 252680056 VBXGEFKAIZDEBB-XLIONFOSSA-N 409.452 3.998 0 50 HHAA C[C@H](CCN(C)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@]12C 253609936 HBDQZJAFAVGPSS-MLQVDNDLSA-N 407.639 3.536 0 50 HHAA COCCn1ccc2c(OCC(=O)N3CCc4[nH]c5ccccc5c4C3)cccc21 263586252 RSAWMSOYTHVPJG-UHFFFAOYSA-N 403.482 3.733 0 50 HHAA biogenic CN(Cc1cccc2ncccc12)C(=O)c1cc(Cc2ccc3c(c2)OCO3)no1 299763357 UXFMJQFMHSMQTP-UHFFFAOYSA-N 401.422 3.815 0 50 HHAA O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCN(c2ccccc2F)CC1 768273602 MCIXNHLMGSKDQP-UHFFFAOYSA-N 401.445 3.522 0 50 HHAA Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc(-n2cnc3ccccc32)nc1 768406104 APKCIBPOMLZUKZ-UHFFFAOYSA-N 420.494 3.526 0 50 HHAA O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)Nc1ccc(Oc2cccnc2)nc1 785890212 MYSGZNHPSGTERC-KRWDZBQOSA-N 402.813 3.917 0 50 HHAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H](N)CCO2)C1 1775988871 NIULHAKXKZALOP-SZMVWBNQSA-N 403.523 3.616 0 50 HHAA COc1ccc(Cc2nc([C@@H]3C[C@@H]4CC[C@H]3O4)n(-c3ccncc3C)n2)cc1OC 1857716712 PSCQWGWHAWIECN-YQVWRLOYSA-N 406.486 3.614 0 50 HHAA COc1ccc([C@@H](CO)NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1 1875255957 QDWVPWJDCIWXOV-GOSISDBHSA-N 400.475 3.653 0 50 HHAA CN(C(=O)c1cc2ccc(F)cc2s1)[C@H]1CCCN(C(=O)[C@H]2CCCS2)C1 1875310412 OYZSDGWBIYCODR-JKSUJKDBSA-N 406.548 3.999 0 50 HHAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCc1ccccc1CN(C)C(=O)c1cc2ccccn2c1 1875342985 BUDZSTPEHLLGSA-IXFSTUDKSA-N 419.525 3.641 0 50 HHAA Cn1cc(C2CCN(C(=O)c3sc4ccccc4c3C[S@@](C)=O)CC2)cn1 2325709524 DSCMVVOPZQKBAZ-HHHXNRCGSA-N 401.557 3.533 0 50 HHAA C[C@@H](NC(=O)CCn1ccc(O)nc1=O)c1ccc(-c2ccc(Cl)cc2)s1 2325850093 LSQFCGDQDPHJHW-GFCCVEGCSA-N 403.891 3.598 0 50 HHAA Cc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 655012 FLNMCYWWHVDYIM-UHFFFAOYSA-N 420.534 3.775 0 50 HHAA CCOc1ccccc1N(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1 857844 OLEAIPHUKSSJKL-UHFFFAOYSA-N 410.495 3.919 0 50 HHAA Cc1ccc(CNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 1206444 IVDUURWGHLKVSJ-UHFFFAOYSA-N 408.523 3.891 0 50 HHAA Cc1nn(C(F)F)c(C)c1S(=O)(=O)Nc1cnn(Cc2cccc(Cl)c2)c1 2805031 ZSNKCAVTVMLBBW-UHFFFAOYSA-N 415.853 3.594 0 50 HHAA CC(C)C(NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)C(C)C 2981975 DIUWYIHJGSDMRT-UHFFFAOYSA-N 406.523 3.818 0 50 HHAA COc1ccc([C@H]2C(=O)N(CCc3ccccc3)CC(=O)N2C2CCCCC2)cc1 3039784 MVGUQUVPZOSVAQ-DEOSSOPVSA-N 406.526 3.983 0 50 HHAA O=C1N[C@H](c2c(F)cccc2Cl)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4163855 MQQPRDGKIBHENW-CKEIUWERSA-N 416.758 3.583 0 50 HHAA CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccccc2)NC(=S)N1 4577890 PTCMKXRZKWPNTE-INIZCTEOSA-N 402.317 3.881 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C2CCN(Cc3ccccn3)CC2)C1 11821351 HUBODLGTDVJOBO-AREMUKBSSA-N 421.585 3.934 0 50 HHAA FC(F)(F)c1ccc(N2CCC[C@@H](NC3CCN(Cc4ccccn4)CC3)C2)nc1 11872951 VYUOFMDVSFBEJO-HXUWFJFHSA-N 419.495 3.718 0 50 HHAA COc1ccc(OC)c(Cc2nnc(CCC(=O)NC3CCCCCCC3)o2)c1 12058431 ATGOAJASXAGYIC-UHFFFAOYSA-N 401.507 3.839 0 50 HHAA C[C@H](NC(=O)c1ccc(CN2CCSCC2)[nH]c1=O)c1cccc2ccccc12 12328930 DJRIGXDDIHOUCF-INIZCTEOSA-N 407.539 3.568 0 50 HHAA CCOC(=O)c1ccc(CNC(=O)c2cc(COc3ccccc3SC)on2)o1 12708370 XNKWPKZLRXPJKR-UHFFFAOYSA-N 416.455 3.675 0 50 HHAA O=C1NCCN1c1ccc(CN2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 12762811 UTOBZSYFHQKVIW-VWLOTQADSA-N 407.558 3.814 0 50 HHAA COC[C@H](C)NC(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C 14991126 BCNHGEOSXOPKQZ-ZDUSSCGKSA-N 423.542 3.900 0 50 HHAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 17090762 SAGPQNGYCCGCHP-GJZGRUSLSA-N 416.543 3.859 0 50 HHAA O=C(COc1cc(Cl)c(Cl)cc1Cl)N1N=C(C(F)F)C[C@@]1(O)C(F)F 17093674 MVQBZVAEMMBEOO-CYBMUJFWSA-N 423.577 3.833 0 50 HHAA CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NC2Cc3ccccc3C2)CC1 67587005 QGEQFDMTWMZSQO-UHFFFAOYSA-N 412.917 3.627 0 50 HHAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc2cc[nH]c12 170597362 CYYIKKZACGLHOE-OAHLLOKOSA-N 401.388 3.718 0 50 HHAA CC(=O)[C@H]1CC(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)=NN1c1ccccc1 170636284 MUQQGFTWWURHIP-LJQANCHMSA-N 406.467 3.678 0 50 HHAA CC(C)[C@@H](NC(=O)c1ccc(-c2nnn(C(C)C)n2)cc1)c1nc2ccccc2[nH]1 223228651 PFRKBLPDQZVLBO-LJQANCHMSA-N 403.490 3.924 0 50 HHAA O=C(NCc1cccnc1Oc1cccc(F)c1)N1CC(O)(c2ccc(F)cc2)C1 225853932 ZCGWPBLWBBSDPJ-UHFFFAOYSA-N 411.408 3.565 0 50 HHAA C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc(C[C@@H]2CCCC2=O)cc1 252536710 JFSPMRQRQOMWKL-IVOMFYJKSA-N 418.537 3.509 0 50 HHAA CC(C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2n1C(C)C 252538679 NDKQAFOMQHOJHA-JOCHJYFZSA-N 417.513 3.841 0 50 HHAA CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@H](c2ccccc2)C1 488861852 SLZLKHGCKLKROM-INIZCTEOSA-N 402.413 3.522 0 50 HHAA O=C1NC(=O)c2ccccc2/C1=C\Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 749153025 XYKUYAVTQIKKKN-CJLVFECKSA-N 423.472 3.541 0 50 HHAA C[C@H](CCN(C)Cc1ccccc1CS(=O)(=O)c1ccccc1)N1CCCC1 1506416743 LENRFLOTXCVMPJ-HXUWFJFHSA-N 400.588 3.967 0 50 HHAA COc1c(C)cccc1C(=O)N1CCC[C@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857670728 BEAOCLVHUYNESF-DEOSSOPVSA-N 409.530 3.917 0 50 HHAA Cc1nc(C)c(C(=O)N2CCC3(CC2)OCCc2cc(-c4cncnc4)sc23)o1 1857709382 UZKGOCFXENYVDC-UHFFFAOYSA-N 410.499 3.514 0 50 HHAA C[C@H](NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1)c1ccc(OCC(N)=O)cc1 1875262462 SRJYGDXJLJWAOP-JTQLQIEISA-N 406.269 3.830 0 50 HHAA O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCCc2ccccc21 882860 RFQJNONXHXAHHD-UHFFFAOYSA-N 401.495 3.887 0 50 HHAA CCOC(=O)CCc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)OCC)cc2oc1=O 2447851 DAGRBLQXDVQERD-LBPRGKRZSA-N 410.850 3.581 0 50 HHAA O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)Nc1ccccc1 4119032 QYVHPHIOEHMSGQ-UHFFFAOYSA-N 420.853 3.523 0 50 HHAA Cc1n[nH]c(O)c1[C@H](c1ccc(OC(=O)c2ccccc2)cc1)c1c(O)n[nH]c1C 4363703 DUECNVLLKAXZOT-UHFFFAOYSA-N 404.426 3.560 0 50 HHAA COc1ccc(CCNC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)cc1OC 4809632 SQLUQBBRRYLHFD-UHFFFAOYSA-N 416.428 3.534 0 50 HHAA CCn1cc(CNC(=S)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)c(C)n1 6145012 TWBHJZBUCBYZKJ-NSHDSACASA-N 406.577 3.671 0 50 HHAA COc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2F)C1 11965747 VFYNMMRZZQCELJ-NQIIRXRSSA-N 410.489 3.530 0 50 HHAA COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@H](O)CN(C)C(C)C 12076541 UVBRARIDQWBIDI-OAQYLSRUSA-N 404.526 3.512 0 50 HHAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2ccc(OC)o2)C1 12226940 XCKNZKQVHIHCCK-JOCHJYFZSA-N 401.459 3.543 0 50 HHAA Cc1ccccc1CC(=O)N1CCC[C@@H]2CN(C(=O)CCOc3ccccc3)CC[C@@H]21 12245150 OAHDUYNOYQQGKA-VWNXMTODSA-N 420.553 3.846 0 50 HHAA CCOC(=O)N1CCC(N2CCC3(CC2)C[C@H]3C(=O)Nc2cc(C)cc(C)c2)CC1 12331345 CQCCPAVVHOWEFD-NRFANRHFSA-N 413.562 3.965 0 50 HHAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C3CCSCC3)CC2)c1 12586114 NEIBHJYLNUATAX-UHFFFAOYSA-N 404.576 3.670 0 50 HHAA Cn1cc(CN2CCOc3ccc([C@@H](O)c4c(F)cccc4Cl)cc3C2)cn1 15067050 FZTTUPGYRFZQLB-OAQYLSRUSA-N 401.869 3.689 0 50 HHAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(N2CCNC(=O)CC2)CC1 19143629 RHWWWMSXHHTVFK-UHFFFAOYSA-N 418.541 3.590 0 50 HHAA COc1ccccc1/C=C/CN1CCC(n2nccc2NC(=O)c2cccnc2)CC1 20119861 LBHNGSXGOJSRJO-VMPITWQZSA-N 417.513 3.889 0 50 HHAA O=C(Cc1csc(-n2cccc2)n1)NCCC1CCN(Cc2ccccc2)CC1 30819526 CSSUZPATKLPIGQ-UHFFFAOYSA-N 408.571 3.895 0 50 HHAA CC(C)Cc1cc(-c2nc3cc(S(=O)(=O)NC(C)C)ccc3n2C(C)C)n[nH]1 82097428 ANNIZQSHIKSMHN-UHFFFAOYSA-N 403.552 3.893 0 50 HHAA Cc1ccc(-n2c(C3CCN(C(=O)/C=C/c4ccc(Cl)cc4)CC3)n[nH]c2=O)cc1 169779847 BGZPTZYBCUYZJE-IZZDOVSWSA-N 422.916 3.942 0 50 HHAA NC(=O)[C@H](Sc1nccc(C(F)(F)F)n1)c1ccc(Br)cc1F 170638481 LVJYMZRUAPRHPZ-SNVBAGLBSA-N 410.190 3.716 0 50 HHAA COc1ccc(N2O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 239164966 NFRIQTUVSBIGGV-FKBYEOEOSA-N 400.434 3.746 0 50 HHAA C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(C(N)=O)c1 261456154 ZJMZEPWGAVIQMD-OLMNPRSZSA-N 423.488 3.647 0 50 HHAA COc1ccc(Nc2nc(COC(=O)[C@H](C)NC(=O)c3cccs3)cs2)cc1 812867900 PXQOZAKFMZFROK-LBPRGKRZSA-N 417.512 3.819 0 50 HHAA CCOc1ccccc1N1CCN(Cc2cnc(NCc3ccccc3)nc2)CC1 823395407 QATCGPFDYBVBMG-UHFFFAOYSA-N 403.530 3.810 0 50 HHAA Cc1ccc2nc(COCC(=O)N3CCC([C@H](O)CCc4ccccc4)CC3)[nH]c2c1 952985995 FSBYGYCVBYNXTO-HSZRJFAPSA-N 421.541 3.620 0 50 HHAA CCN1CCC(N(CCc2ccccn2)C(=O)c2c(C)oc3c2C(=O)CCC3)CC1 1506405681 LCIRKYDWNOMZMJ-UHFFFAOYSA-N 409.530 3.671 0 50 HHAA C[C@@H](C(=O)Nc1cccc(C(=O)Nc2cnccn2)c1)[C@@H]1OCCc2sccc21 1875253336 GRFSWDMOFXWCJD-YJYMSZOUSA-N 408.483 3.679 0 50 HHAA CCc1ncnc(N(C)CC2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)c1F 1875330782 ZPPYRBAPYTVBHN-UHFFFAOYSA-N 409.509 3.956 0 50 HHAA O=C(CN1CCOc2ccccc2C1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 1875356721 VRVRQHBZOXKHCS-UHFFFAOYSA-N 408.454 3.592 0 50 HHAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(CN3CCCC3)o2)CC1 2356142235 JRMNNHFZMQPXPB-UHFFFAOYSA-N 410.514 3.588 0 50 HHAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 861088 BDDJLFJKCZNKKW-FPOVZHCZSA-N 408.454 3.829 0 50 HHAA biogenic Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2cccc(Cl)c2)cc1 1213810 QIPHWZJUIHGBSP-UHFFFAOYSA-N 406.935 3.903 0 50 HHAA COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(O)nn2[C@@H]1CCOC(C)(C)C1 5625262 UEPNIWSBMBAOKJ-PXAZEXFGSA-N 403.504 3.502 0 50 HHAA CCn1c(SCC(=O)N2CCOCC2)nnc1-c1sc2ccccc2c1Cl 9189690 BBONNFKVCIANKI-UHFFFAOYSA-N 422.963 3.784 0 50 HHAA O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1cn(CCCc2ccccc2)nn1 11813123 NHLLJAFMIVHTPO-HSZRJFAPSA-N 417.557 3.520 0 50 HHAA O=C(c1ccc(Cl)cc1OC1CCN(C2CCOCC2)CC1)N1CCCCC1 12053462 GIDVYBAHGOXBJE-UHFFFAOYSA-N 406.954 3.988 0 50 HHAA Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)nc(N)n1 12431549 MFGOEISDRDYSQU-HXUWFJFHSA-N 400.482 3.769 0 50 HHAA O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)ccc1Cl 100747625 JMGAIYCFTKHSOS-PBFVBANWSA-N 424.884 3.983 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC(C)=CC[C@H]4C3=O)cc2)c(OC)c1 100776075 UAZMXPZEVKSZJL-MOPGFXCFSA-N 420.465 3.802 0 50 HHAA O=C(c1cnc(NCc2ccc(Cn3cncn3)cc2)c(Cl)c1)N1CCCCC1 111221820 INXGTWZISVYVGR-UHFFFAOYSA-N 410.909 3.613 0 50 HHAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccc(N3CCCCCC3)cc1)CC2 170619506 YAOGWEDPABODEH-NHCUHLMSSA-N 401.551 3.851 0 50 HHAA COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(F)cc3F)N(C)C)no2)cc1 238900239 IDLFYXFOVJRYEZ-LJQANCHMSA-N 401.413 3.661 0 50 HHAA CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)O)[C@@H]21 248246262 QLJODMDSTUBWDW-AGIYQEDHSA-N 422.562 3.716 0 50 HHAA biogenic,in-vitro O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nc(-c2ccc(F)cc2)cs1 252523307 CHSUHURTZHKOCK-OAHLLOKOSA-N 410.430 3.678 0 50 HHAA Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 670460979 FMWPAMMFJCJUGG-QGZVFWFLSA-N 417.912 3.897 0 50 HHAA Cn1ncc(NC(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1C1CC1 771105526 CBUWPNAXDUWQBS-UHFFFAOYSA-N 424.530 3.902 0 50 HHAA CC(C)CN1CCC[C@@]2(CCc3c(N(C)CCc4cn[nH]c4)nc(C4CC4)nc32)C1 1875248712 IZEMHYKKSQTCOY-XMMPIXPASA-N 408.594 3.692 0 50 HHAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)[nH]n2)C1 1875261452 IBODJJLQENNPMI-CYBMUJFWSA-N 403.408 3.849 0 50 HHAA O=C(N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21)C12CCC(C(=O)N3C[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)(CC1)CC2 2325750124 QVQLVDVBBSOMCH-UMKSQRARSA-N 408.586 3.841 0 50 HHAA CCOC(=O)c1c(NC(=O)C2CC2)sc(C(=O)Nc2ccccc2OC)c1C 812927 FCMQVJDQNALOHM-UHFFFAOYSA-N 402.472 3.843 0 50 HHAA Cn1ncc(Cl)c1CNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2799796 QLDKRBZCYHVUBR-UHFFFAOYSA-N 417.746 3.732 0 50 HHAA Cc1ccc(OCCOCCn2cnc3ccccc3c2=O)c(Br)c1 3003783 BSPGFMSGVIGHTD-UHFFFAOYSA-N 403.276 3.563 0 50 HHAA CCc1cccc(C)c1NC(=O)Cn1cnc2ccc(Br)cc2c1=O 4542323 JNURUSXLHPGFQC-UHFFFAOYSA-N 400.276 3.669 0 50 HHAA Cc1nonc1CC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 11761458 CVUKANNUSKXDPO-GOSISDBHSA-N 405.454 3.834 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2ccc3nccnc3c2)C1 12052888 NTCGRKNTJYJFFL-DEOSSOPVSA-N 421.472 3.797 0 50 HHAA C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)Nc1nc(-c3ccccc3)cs1)C(=O)N2 12140152 RQSZGUHDSLUUPR-VPKVUBIPSA-N 405.479 3.777 0 50 HHAA COc1cccc(C(=O)N2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)c1 12280030 DWTWTGHZUBUQLQ-UHFFFAOYSA-N 406.404 3.589 0 50 HHAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)CSC)O3)c1 14953576 CHJOXXABZVZOIV-INIZCTEOSA-N 405.903 3.576 0 50 HHAA CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCc1cn[nH]c1 15064661 OFJSVHRGGGRAAO-UHFFFAOYSA-N 422.495 3.774 0 50 HHAA CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)O)c2ccc(Br)cc2)CC1 16123850 MULAGSYVTBFWGO-HNNXBMFYSA-N 413.312 3.518 0 50 HHAA COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@@H]2CCCO2)c1 16474920 HUIOSDIIYRWOHY-NRFANRHFSA-N 406.482 3.667 0 50 HHAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(C)[C@@H](c2ccccc2)C1 20909885 OUKOGGNFXGTROH-OAQYLSRUSA-N 419.573 3.695 0 50 HHAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 23541539 KROCVDCWVGJUDH-INIZCTEOSA-N 417.600 3.797 0 50 HHAA CCOC(=O)C1=C(CNCc2cccc(C)c2)NC(=O)N[C@H]1c1cc(C)ccc1C 55227026 XCMFMDPBKODMLU-QFIPXVFZSA-N 407.514 3.573 0 50 HHAA CN1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1=O 72408339 XCKQMCVZDMOTIM-UHFFFAOYSA-N 409.873 3.558 0 50 HHAA COC1(c2nc(-c3ccccn3)no2)CCN(Cc2ccc(Br)o2)CC1 225839695 VCNQYLOGNPTYEG-UHFFFAOYSA-N 419.279 3.625 0 50 HHAA COc1ccc2nc(C)cc(SC[C@@H](NC(=O)c3cccs3)C(=O)O)c2c1 238923530 OLUZXPLNHBRQQN-OAHLLOKOSA-N 402.497 3.589 0 50 HHAA C[C@]12CC[C@H](O[N+](=O)[O-])C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 253501625 BWUSBASZYFDEMR-DKNXKHEBSA-N 419.518 3.820 0 50 HHAA CC(=O)N1CCC(N(Cc2noc(C3CCCCC3)n2)Cc2cncs2)CC1 429176046 MEQYIWJQZLUTMI-UHFFFAOYSA-N 403.552 3.587 0 50 HHAA C[C@@H](c1cn(-c2ccccc2)nn1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 472729944 AJZFKOHGXCXHBB-IBGZPJMESA-N 411.513 3.608 0 50 HHAA CC(C)n1cc(Br)cc1C(=O)NC[C@@](C)(O)c1ccc(F)cc1F 743412978 PBYUSXJWPVNYKE-QGZVFWFLSA-N 401.251 3.747 0 50 HHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCOc1cccc2cccnc12 827846934 NNACQBLXUVIWRF-UHFFFAOYSA-N 400.482 3.775 0 50 HHAA COc1ccc(NC(C)(C)C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cc1 952979295 NHUHYTJOYKFJQA-UHFFFAOYSA-N 407.558 3.587 0 50 HHAA CN1CCO[C@H](c2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)C1 1775988941 SOBRWGPOLCXVHL-HNNXBMFYSA-N 406.364 3.946 0 50 HHAA COc1cc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)ccc1OCc1ccccc1 1857723146 XAUCODJIFSZHEA-DHIUTWEWSA-N 404.510 3.705 0 50 HHAA O=C1CCc2ccc(O)c(c2)Oc2cccc(c2)[C@@H]2CN(Cc3ccccn3)C[C@H]2N1 1875242632 YIPQOUUUWGRDSE-FCHUYYIVSA-N 415.493 3.610 0 50 HHAA CN(CC1CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 2325793773 HLVXAOCHUTZKBY-BQJUDKOJSA-N 404.595 3.857 0 50 HHAA CCc1cccc(C)c1NC(=O)CN1CCN(c2nc(C(F)(F)F)cs2)CC1 2325853710 ZYEOOLXLCJZDDO-UHFFFAOYSA-N 412.481 3.793 0 50 HHAA NC(=O)[C@@H](OC(=O)c1ccc2c(c1)CCCS2)c1cccc(Br)c1 2325870959 WOTZGSCTHLNOBL-INIZCTEOSA-N 406.301 3.871 0 50 HHAA Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3Cc2ccccc2)s1 2356143871 BFLGFKVEAGQZKL-DYXWJJEUSA-N 419.550 3.965 0 50 HHAA COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2OC)cc1 705296 VMVAODVUNFOTPR-UHFFFAOYSA-N 412.467 3.757 0 50 HHAA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccccc3F)C2)cc1OC 890367 GFPBOZOPRURFGB-GOSISDBHSA-N 414.433 3.776 0 50 HHAA CCOc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3CC)n2N)cc1 1049734 BXSXRDXJSMSUDC-UHFFFAOYSA-N 411.531 3.659 0 50 HHAA COC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc(C(=O)N(C)C)c1C 1117165 ZNLVNNALZJBGQH-CMDGGOBGSA-N 424.881 3.989 0 50 HHAA CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 1118474 ATEXUXWABFDANX-MRXNPFEDSA-N 420.918 3.582 0 50 HHAA COc1ccc(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 1149515 FXZAAZSTOSKCEQ-UHFFFAOYSA-N 402.406 3.513 0 50 HHAA COc1ccc(C(=O)Oc2ccc(Cl)cc2C(=S)N2CCOCC2)cc1OC 1162147 YCOSMYHHIWOJNZ-UHFFFAOYSA-N 421.902 3.584 0 50 HHAA Cc1c(N(C)C(=O)c2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C 1186515 NZTSLTCDTOHMKQ-UHFFFAOYSA-N 400.276 3.524 0 50 HHAA Cc1c(NC(=O)CSc2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C 2939478 FRYVANOCHOXQSZ-UHFFFAOYSA-N 410.524 3.825 0 50 HHAA CC(C)(C)SCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 2990590 NCNUUNIUKFXMGD-UHFFFAOYSA-N 424.563 3.669 0 50 HHAA CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc2ccccc2s1 4691621 CYNOUXWNMGFASG-UHFFFAOYSA-N 419.528 3.911 0 50 HHAA CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3N2)cc1 6760262 BTTQUKQEJKPQNI-IAGOWNOFSA-N 408.424 3.578 0 50 HHAA CN1CCCc2cc(C(=O)N3CCC[C@H](Nc4ccc5c(c4)OCCO5)C3)ccc21 11665439 QMDWPZARSYYJNI-FQEVSTJZSA-N 407.514 3.557 0 50 HHAA CCn1ccnc1CN1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 12299790 JKIOTOIFDNLZKT-KRWDZBQOSA-N 400.954 3.616 0 50 HHAA COc1ccc(-c2noc(CN3CCC(c4ccncc4)CC3)n2)c(OC)c1OC 12315350 FTGZERWKQNJNFM-UHFFFAOYSA-N 410.474 3.537 0 50 HHAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c(OC)c1 12386706 PWTDHFNSZJGFRR-IBGZPJMESA-N 422.569 3.980 0 50 HHAA O=C(CCc1nc2ccccc2s1)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 12612746 SRROFXKSNLBOMN-IBGZPJMESA-N 405.567 3.977 0 50 HHAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1I 13117955 UYWXNVYYVZWYTG-UHFFFAOYSA-N 409.252 3.898 0 50 HHAA COc1ccc(NS(=O)(=O)c2ccc(NC(=S)N3CCC[C@H](C)C3)cc2)cc1 17091966 JNMBSNULZSJHEF-HNNXBMFYSA-N 419.572 3.925 0 50 HHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2nc3ccccc3n2C)CC1 19745117 MKBMVPSSOJRXFZ-UHFFFAOYSA-N 421.541 3.970 0 50 HHAA CCOc1ccc(CN2CCN(Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1 19841417 BTFJEQVQNXNDFY-NRFANRHFSA-N 400.588 3.876 0 50 HHAA CC(C)(C)OC(=O)Oc1cc(Br)cnc1I 35270348 ZKGZEMBHNIBNLR-UHFFFAOYSA-N 400.010 3.763 0 50 HHAA in-vitro CCOc1ccccc1-c1noc(-c2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)n1 169758352 KCZKKEROIRFTHW-IBGZPJMESA-N 419.441 3.674 0 50 HHAA Cc1ccc(-n2c(C3CCN(C(=O)c4cc(F)ccc4Cl)CC3)n[nH]c2=O)cc1 169779750 JFQQFXZTRXAEQE-UHFFFAOYSA-N 414.868 3.681 0 50 HHAA COc1ccc(C(=O)CCCCCC(=O)NCc2cccc(-c3nnc[nH]3)c2)cc1 170608500 IUTINRFUBJYDOG-UHFFFAOYSA-N 406.486 3.930 0 50 HHAA CCn1ccnc1CN(C(=O)C(C)C)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 225669131 KNJRCZOOZMMQJL-QGZVFWFLSA-N 404.555 3.677 0 50 HHAA COC1(c2nc(C3CC3)no2)CCN([C@@H](C)C(=O)Nc2cccc(SC)c2)CC1 225839030 XFIUYQPHUBKPLV-AWEZNQCLSA-N 416.547 3.634 0 50 HHAA O=C(Nc1cc(Br)ccc1-n1cccn1)c1nc2cccnc2s1 239367118 AHPILUKWJKSQIZ-UHFFFAOYSA-N 400.261 3.892 0 50 HHAA C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CC[C@@H]3CCCC[C@H]3C2)C1=O 239415204 TZMKODGHOSFECE-FXJWSJNKSA-N 419.525 3.646 0 50 HHAA CC(=O)Nc1sc(NC(=O)c2ccc(N3CCOCC3)cc2)nc1-c1ccccc1 334162472 OGKOKIDLHWEPFY-UHFFFAOYSA-N 422.510 3.857 0 50 HHAA O=C(N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)c1ccc2nnc(O)n2c1 428249141 RPGZRWGEJKCQCC-HNNXBMFYSA-N 419.254 3.608 0 50 HHAA CCNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1 952962931 GMNRFZAJJCQNRQ-GOSISDBHSA-N 423.513 3.524 0 50 HHAA C[C@H]1CCn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3ccccc3)nc2C1 1275153148 JUVWRPLVFVBBFQ-PXNSSMCTSA-N 424.545 3.900 0 50 HHAA CCc1ccc(OS(=O)(=O)c2cc(OC)c(Br)cc2OC)cc1 1462713929 GLPIJFSEMDVWNY-UHFFFAOYSA-N 401.278 3.796 0 50 HHAA O=C(c1cnn(Cc2ccccc2)c1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857672920 MKXAOUFFQDDSRR-ARNLJNQMSA-N 401.510 3.530 0 50 HHAA COc1cc(OC)cc(-c2nccn2C23C[C@H]4C[C@@H](CC(n5cncn5)(C4)C2)C3)c1 1857680211 IBOWVXRRJJKIAU-TWVWUCKLSA-N 405.502 3.863 0 50 HHAA CCCn1ccnc1CNC(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857737353 IVLLDIRVBSIVMU-AWEZNQCLSA-N 401.898 3.621 0 50 HHAA COc1ccc(CN2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)cc1 1857740516 QVVVZVLGYKKPHB-DEOSSOPVSA-N 402.498 3.733 0 50 HHAA Cc1ccccc1/C=C/c1nc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)n[nH]1 1875256950 KTCWSULPVXFUGZ-ABZNLYFFSA-N 413.528 3.563 0 50 HHAA COC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cc(C3CC3)nc3onc(C)c23)n1C 1875342997 BZCFIBKGCYLWMC-GOSISDBHSA-N 422.485 3.901 0 50 HHAA C=CC(=O)N1CCC(C(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)CC1 1875371771 LQNSSXBWDCACIH-INIZCTEOSA-N 423.376 3.869 0 50 HHAA CN(C(=O)CCCc1nc(-c2ccccc2Cl)no1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356136095 GNSPOYRZIGLZSR-GEEKYZPCSA-N 403.910 3.721 0 50 HHAA COc1ccc(Oc2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1 703836 COSGYBLQADNBPW-UHFFFAOYSA-N 411.410 3.733 0 50 HHAA biogenic C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC[C@H]1CCCO1 901037 CRDIITAEENWPCU-TZMCWYRMSA-N 411.449 3.938 0 50 HHAA COC(=O)c1ccc(-n2nnnc2SCc2cccc(Br)c2)cc1 1084491 ZPPNRZGNNKOSLO-UHFFFAOYSA-N 405.277 3.504 0 50 HHAA COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccccc2)cc1 2963001 CPVZXNNTJFCWHT-GOSISDBHSA-N 424.522 3.768 0 50 HHAA CC(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 5614104 DCXCGORUUGMHBZ-UWVAXJGDSA-N 406.404 3.914 0 50 HHAA O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 11770273 IAEXNCQILPFEDN-NRFANRHFSA-N 411.590 3.729 0 50 HHAA Cc1cc(C)nc(-c2cccc3c2O[C@H](CNC(=O)CCOc2ccccc2)C3)n1 11965559 PGJHKGWCXZLXDO-FQEVSTJZSA-N 403.482 3.649 0 50 HHAA COC[C@H]1CCCCN1C(=O)CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1 11971429 QLHDMCHZAMLVPB-PXDATVDWSA-N 408.542 3.839 0 50 HHAA CN1CCC(CN(CCc2ccccc2)C(=O)c2cc(=O)c3ccccc3o2)CC1 12029756 HLWZIVKOZWUCSC-UHFFFAOYSA-N 404.510 3.820 0 50 HHAA Cc1ccccc1-n1cc(CN(C)C(=O)c2cn(C/C=C/c3ccccc3)nn2)cn1 12432725 ONFIVQRUXXFLQH-XYOKQWHBSA-N 412.497 3.758 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@H]1COc2ccccc2C1 12713402 JEFXCBJXTXZNQS-JOCHJYFZSA-N 410.533 3.790 0 50 HHAA NC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCc1ccccc1-2 17093987 WSSQOBWVDYQCNW-DNDXXGFKSA-N 424.522 3.688 0 50 HHAA C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19973435 CXMUAPSVBQJHEF-HNNXBMFYSA-N 418.946 3.894 0 50 HHAA COc1ccc(-c2noc(CN3CC[C@H](c4ccc(F)cc4)C3)n2)c(OC)c1OC 20994951 CBIPHGRENOYLIG-HNNXBMFYSA-N 413.449 3.891 0 50 HHAA O=C(N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1)c1ccc(Br)o1 169754184 NJLFBSUODGYUSD-JTQLQIEISA-N 407.293 3.502 0 50 HHAA CCC(CC)n1ncc(C(=O)N2C[C@H](OC)C[C@@H]2c2nc(-c3cccnc3)c[nH]2)c1C 170591182 UOGKXOYZMRGASA-WIYYLYMNSA-N 422.533 3.940 0 50 HHAA CC(=O)O[C@@H]1[C@H](OC(C)=O)CC(C)(C)[C@@]2(O)CCc3c(cc4occc4c3C)[C@]12C 207633983 FETPRYGDJQBBEF-KOVSNXQUSA-N 414.498 3.970 0 50 HHAA biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@@H]1CCCN(Cc2ncccn2)C1 225855566 GLROCUGBRALKCZ-OAHLLOKOSA-N 412.877 3.915 0 50 HHAA O=C(CCCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)Nc1cccnc1 334162230 QLBNMERTVDWSGR-UHFFFAOYSA-N 410.449 3.877 0 50 HHAA O=C(O)CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(OCc2ccccn2)cc1 432105808 FZBACLBBEXDGGO-FQEVSTJZSA-N 404.466 3.867 0 50 HHAA COc1cc(C(=O)Nc2ccc(OC[C@@H]3C[N@@]3CC(C)C)cc2)cc(OC)c1OC 1875385395 SDKAZASUIFCHEO-AVRWGWEMSA-N 414.502 3.684 0 50 HHAA C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)NCc1cc2c(cc1OC(F)F)OCO2 2325737787 WYUXOHGICPVFTJ-CWTRNNRKSA-N 410.442 3.855 0 50 HHAA COC(=O)c1ccccc1CNC(=O)CN(C)[C@@H](c1ccccc1)c1ccc(F)cc1 2332239405 QHRCUCYZNUOQPH-DEOSSOPVSA-N 420.484 3.950 0 50 HHAA CCOC(=O)c1sc(NC(=O)COc2ccccc2F)c(C(=O)OCC)c1C 673382 DSEONLFEUQSKII-UHFFFAOYSA-N 409.435 3.567 0 50 HHAA O=C(c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCOCC1 865864 ZBXNOESVSIPKMA-GXSJLCMTSA-N 420.844 3.731 0 50 HHAA O=C(CCC1CCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 899738 KHFVJVOGUDLFTA-UHFFFAOYSA-N 400.544 3.643 0 50 HHAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1046508 MNLQZWFTYCCPSC-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1049196 XIIDCEBASXZKKA-UHFFFAOYSA-N 424.522 3.697 0 50 HHAA Cc1ccc(N([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 1064815 SSLHMKBAWOCKQQ-IBGZPJMESA-N 414.571 3.631 0 50 HHAA CC[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1nnc(C(C)C)s1 2775567 DGJHGTDELQHSKF-LBPRGKRZSA-N 413.532 3.990 0 50 HHAA CCSCc1nnc(SCC(=O)Nc2ccc(Br)cc2C)n1C 2879707 QDCANKWCIAHRKY-UHFFFAOYSA-N 415.382 3.870 0 50 HHAA CCOc1ccc(N2C(=O)C[C@H](SCCC(=O)Nc3ccc(C)cc3)C2=O)cc1 2886177 ADANSFCQACPHNC-IBGZPJMESA-N 412.511 3.788 0 50 HHAA CC(C)C[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)O 5092057 MAORSCWMXCIWTC-HJDVLLJCSA-N 414.889 3.726 0 50 HHAA COC[C@@H]1CCCCN1C(=O)CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1 11971422 QLHDMCHZAMLVPB-SQJMNOBHSA-N 408.542 3.839 0 50 HHAA CC(C)CN1CCC(O)(c2ccc3oc(C(=O)N4CCSCC4)cc3c2)CC1 12041513 SCUQLCFHLSQCTA-UHFFFAOYSA-N 402.560 3.561 0 50 HHAA COc1ccc(CN2CCC3(CC2)C[C@H]3C(=O)NCCc2ccccc2)c(OC)c1C 12055921 NDDVSGZNOFDRNH-QFIPXVFZSA-N 422.569 3.973 0 50 HHAA COCC(=O)N1CCC(n2c([C@@H]3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1 12246546 RKFUDXKTONKYCQ-KRWDZBQOSA-N 411.424 3.717 0 50 HHAA CN(C)c1ccc(CCC(=O)N(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 12436161 XWDAYJWUUIIOHO-DEOSSOPVSA-N 405.586 3.775 0 50 HHAA COc1cccc(CNc2ncnc3sc(C(=O)N(C)Cc4ccon4)c(C)c23)c1 14955014 WJZRFGSIDJXRCI-UHFFFAOYSA-N 423.498 3.881 0 50 HHAA COc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC1CCN(C(C)=O)CC1 14962691 JSTKKKFSJGMNRK-UHFFFAOYSA-N 416.905 3.668 0 50 HHAA Cc1cccc(NC(=O)c2c(NC(=O)COCC(=O)O)sc3c2CCCCC3)c1 17090661 DXBKLEKWQBXNAL-UHFFFAOYSA-N 416.499 3.617 0 50 HHAA O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2)CC1 18249900 MWTQRFKCQTUQAY-UHFFFAOYSA-N 413.934 3.566 0 50 HHAA Cc1ccc(C(C)C)c(OC(=O)C[S@@](=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 26894168 YHDRDKSIWVTTCZ-NDEPHWFRSA-N 406.416 3.648 0 50 HHAA O=C(CCc1nc(-c2ccccn2)no1)Nc1cccc2c1CN(CC(F)(F)F)C2 170601762 WMAUHXKQOHPZFW-UHFFFAOYSA-N 417.391 3.581 0 50 HHAA COc1ccccc1N1CCN(C(=O)c2cc(C(C)C)nn2-c2ccccc2)CC1 170625252 RTNKDXNHNQLEMY-UHFFFAOYSA-N 404.514 3.967 0 50 HHAA COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)c(Br)c1 225464930 BUUMEVMDNABZSY-UHFFFAOYSA-N 411.199 3.672 0 50 HHAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCc1ccnc(N2CCN(C)CC2)c1 237104662 WOILASSEKVDYKE-UHFFFAOYSA-N 424.980 3.579 0 50 HHAA O=C(CC[C@H]1NC(=O)N(c2ccccc2)C1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 409414863 PVOZFWQMQGFNGX-WOJBJXKFSA-N 416.481 3.567 0 50 HHAA C[C@@H]1CN(c2cccc3cnccc23)CCN1CCCS(=O)(=O)c1ccccc1 447381366 GUHIUQAJLSRGTH-LJQANCHMSA-N 409.555 3.609 0 50 HHAA O=C(NCc1ccc(-c2ccco2)cc1F)[C@H](c1ccccc1F)N1CCOCC1 468378913 YDQGZYASDMKDBE-QFIPXVFZSA-N 412.436 3.915 0 50 HHAA CC(=O)N1CCN(C(=O)c2cc3c(C(F)F)nn(C)c3s2)CC12CCCCC2 471092764 OKMLRQVTZLPEPP-UHFFFAOYSA-N 410.490 3.580 0 50 HHAA CCC(=O)Nc1ccc(C)c(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)c1 952964626 OMLIMQXUMLGQDZ-WDXRGRCHSA-N 407.518 3.869 0 50 HHAA COc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2onc(C)c2C)o1 1506427589 LIMDNKRVWFOYFF-QGZVFWFLSA-N 402.472 3.916 0 50 HHAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 1857717701 UKZMIQNKVIMQKV-HNNXBMFYSA-N 414.556 3.875 0 50 HHAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCc1cccc(CO)c1 1857724904 RLADCYRFWNFTQC-MRXNPFEDSA-N 413.905 3.896 0 50 HHAA O=C(Cc1ccccc1)Nc1nnc(-c2ccc(I)o2)s1 1857799632 PDNQVJGFQFORCS-UHFFFAOYSA-N 411.224 3.584 0 50 HHAA CC1(CC(=O)N[C@@H]2CN(c3ccc4nccnc4n3)CC[C@@H]2c2cccc(F)c2)CC1 1875333580 CFWUGMSMDDBVLD-UYAOXDASSA-N 419.504 3.833 0 50 HHAA Cc1ccc(C(=O)C(=O)Nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)c2)cc1 1875349847 PNDWDQDSDQDUFR-UHFFFAOYSA-N 417.343 3.719 0 50 HHAA Oc1cccc(N2CCN(c3c(Br)cncc3Br)CC2)c1 2325723189 CXPJAQQJJWTZRB-UHFFFAOYSA-N 413.113 3.639 0 50 HHAA CC1CCN(c2nc3ccccc3nc2SCC(=O)NO[C@@H]2CCCCO2)CC1 2325742209 OMSSBOHWZXKPKA-LJQANCHMSA-N 416.547 3.533 0 50 HHAA O[C@H]1C[C@](Nc2ncnc3sc(I)cc23)(c2ccccc2)C1 2325839921 JNXUIGFEBAXMCL-AITUWYQGSA-N 423.279 3.758 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCSc3ccc(Br)cc32)CC1 2325889556 WJYFMBHUBNKONF-OAHLLOKOSA-N 409.349 3.527 0 50 HHAA Cc1ccc(N2CCC[C@@]3(CCCN3CCn3c(=O)oc4ccccc43)C2=O)cc1 2356134561 SDEMHXPFZZEFMB-DEOSSOPVSA-N 405.498 3.565 0 50 HHAA O=C1N([C@H]2CC[C@H](O)CC2)CCC[C@]12CCCN2Cc1ccc2cccc(F)c2n1 2356165300 BPVBGZXJJWZFNV-YOSAUDMPSA-N 411.521 3.634 0 50 HHAA COC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 1111086 FTOXJSMDKHMORW-UHFFFAOYSA-N 410.451 3.526 0 50 HHAA aggregator CCn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c(C(=O)NC2CCCC2)n1 2730738 IPCSWLQXJZRYPE-IAGOWNOFSA-N 400.910 3.971 0 50 HHAA Cc1cc(OCn2ccc(C(=O)N[C@H](C)c3cn(C)nc3C)n2)cc(C)c1Cl 2798025 DPKCEHDFEOKSJD-CQSZACIVSA-N 401.898 3.723 0 50 HHAA O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc(N3CCN(c4ccccn4)CC3)ncc21 9287087 VABFXTXAIFZXHY-QGZVFWFLSA-N 419.916 3.764 0 50 HHAA COc1ccc(OCc2cc(C(=O)N(C)CCC3CCOCC3)no2)c(Cl)c1 11662940 ROTXIWJMZZTIFB-UHFFFAOYSA-N 408.882 3.804 0 50 HHAA CCN(CC)C[C@@H](O)COc1cc(CNCCc2cccc(Cl)c2)ccc1OC 12056132 AANSUGYZXODQBE-OAQYLSRUSA-N 420.981 3.762 0 50 HHAA O=C(CCc1ccc2c(c1)OCO2)NC[C@@H]1Cc2cc(-c3cccnc3)cc(F)c2O1 12130184 JPLPGTBICZBYDP-IBGZPJMESA-N 420.440 3.669 0 50 HHAA Cc1ccc(C(=O)N2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cn1 12577433 VGHJOKHMKSZQOP-UHFFFAOYSA-N 403.486 3.625 0 50 HHAA CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1ccccn1)CC2 14542884 RJLBMGVIHFISSS-UHFFFAOYSA-N 414.509 3.664 0 50 HHAA Cc1cc(=O)c(C(=O)N2C[C@H]3CC[C@H]2C3)c(CC2CCCC2)n1Cc1cccnc1 102494622 RLURXRJZXZTGMS-FPOVZHCZSA-N 405.542 3.957 0 50 HHAA COc1cccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)c1 104379502 XOEVNSNSUCFBOV-HXUWFJFHSA-N 408.464 3.783 0 50 HHAA COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccco2)[C@H](c2ccc(F)cc2)CN1C 230097850 FNXTVAHVEYQKHE-CODAWKSHSA-N 420.440 3.803 0 50 HHAA CC[C@H]1CN(CCC(=O)N2CCC[C@H]2c2nccs2)Cc2cc(OC)ccc2O1 244691798 JJNMIPRSAJXCLP-HKUYNNGSSA-N 415.559 3.879 0 50 HHAA CCOC(=O)c1nc2c(s1)N(S(=O)(=O)c1cccc(C)c1Cl)CCCC2 328594081 OBWJGXLKDYLTGP-UHFFFAOYSA-N 414.936 3.813 0 50 HHAA COc1ccc(C(=O)Cn2cc(-c3ccc(Br)cc3)n(C)c2=N)cc1 334157612 SKLYUPGWLOXLCM-UHFFFAOYSA-N 400.276 3.627 0 50 HHAA CC(C)c1ccc(-n2cc(O)c(C(=O)N(C)[C@@H]3CCN(c4ccccc4)C3=O)n2)cc1 468612632 ZRKGBFDYUQYJAS-HXUWFJFHSA-N 418.497 3.579 0 50 HHAA O=C(C1=NN(c2ccccc2)C(=O)CC1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 752767755 JJNDBFMOSLXJFN-OAQYLSRUSA-N 417.465 3.525 0 50 HHAA Cc1csc([C@](O)(CC(=O)N2CCC(c3ncc(C)s3)CC2)C(F)(F)F)n1 762733544 MKHQXKXNERCTGB-MRXNPFEDSA-N 419.494 3.763 0 50 HHAA Cc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc(-c2ccccc2O)n1 1704338949 LVTXVFPVRFJQRF-UHFFFAOYSA-N 401.470 3.561 0 50 HHAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NC1(c2cc(F)ccc2F)CC1 1857707863 NJYCKONVMCUIEN-AWEZNQCLSA-N 412.440 3.913 0 50 HHAA Cc1ccc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)c(F)c1F 1857721455 PVACGVHKCLHGHV-UGKGYDQZSA-N 400.469 3.951 0 50 HHAA NC1(c2cccc(NCc3cnc4ccc(Br)cn34)c2)CCOCC1 1875326981 VERVNAAOQYALSP-UHFFFAOYSA-N 401.308 3.673 0 50 HHAA Cc1cc(CN2CCC(c3nnc4cnccn34)CC2)ccc1Oc1cccnc1 2325737445 HRFZYNZBRHOFON-UHFFFAOYSA-N 400.486 4.000 0 50 HHAA O=C(N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21)C12CCC(C(=O)N3C[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]43)(CC1)CC2 2325750121 QVQLVDVBBSOMCH-HCFCPCTKSA-N 408.586 3.841 0 50 HHAA C[C@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)C(=O)Nc1ccc(F)cc1Cl 2325861337 NBNMHKFYPHJVTR-RDBSUJKOSA-N 403.885 3.762 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(c3ncnc4nc(C)cc(C)c34)CC1)OCC2 2356161478 WXSRGINRCVFNQP-UHFFFAOYSA-N 420.513 3.727 0 50 HHAA COC(=O)c1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 780857 QBUSHNMMBZIXLR-HNNXBMFYSA-N 424.400 3.934 0 50 HHAA CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 846515 WKUOCHYIOQJIRR-QFIPXVFZSA-N 412.445 3.735 0 50 HHAA O=C(c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)N1CCOCC1 1109521 YYAVTQOFVXRBHL-UHFFFAOYSA-N 412.287 3.774 0 50 HHAA CCOC(=O)c1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 1185130 JUWOGSKGLAHAIL-NRFANRHFSA-N 406.438 3.816 0 50 HHAA COc1cc([C@@H]2NCC3(CCCC3)c3cc4c(cc32)OCCO4)cc(OC)c1OC 2106063 MNSJXCLIYPYURP-QFIPXVFZSA-N 411.498 3.988 0 50 HHAA biogenic CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC)cc1 2448131 SXLVHHCXWVGFDT-UHFFFAOYSA-N 410.547 3.937 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl 2885018 KDYFFCMBQGEWEG-UHFFFAOYSA-N 409.241 3.676 0 50 HHAA COC(=O)Cc1c(C)c2c(OC(=O)c3ccc(Cl)cc3)cc(C)cc2oc1=O 4820811 ZLJZZCYBIONOJD-UHFFFAOYSA-N 400.814 3.998 0 50 HHAA CN1CCC(N2CCC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)C2)CC1 11772413 TVKMSMUZINAGJT-AWEZNQCLSA-N 403.876 3.647 0 50 HHAA CN1CCC(N2CCC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)C2)CC1 11772419 TVKMSMUZINAGJT-CQSZACIVSA-N 403.876 3.647 0 50 HHAA CCN1C[C@@H](CNC(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)CC1=O 11842730 UJTIBPIEKWURMM-OAHLLOKOSA-N 411.889 3.670 0 50 HHAA Cc1cc(C)cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)c1 11980677 JUTGIKDGHRYUHP-FQEVSTJZSA-N 417.557 3.753 0 50 HHAA C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 11999807 UJCXHTREDKZQAX-SXLOBPIMSA-N 410.514 3.814 0 50 HHAA O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCC[C@H](CO)C1 12452946 YPIQCIRBRWDETE-QFIPXVFZSA-N 422.569 3.617 0 50 HHAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12469444 NPNVNERTKLBKKJ-IBGZPJMESA-N 410.518 3.514 0 50 HHAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)[C@@H]1CC12CCC2 12584947 IBXZYFDIFFYXCZ-VWLOTQADSA-N 423.645 3.836 0 50 HHAA CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 12625238 VZYSEAHSYUDUPQ-IYBDPMFKSA-N 416.543 3.948 0 50 HHAA COC(=O)c1ccc(C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)cc1 12702056 RTGNOMHXMPDPEQ-UHFFFAOYSA-N 412.505 3.639 0 50 HHAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N(CC1CCC1)C[C@H]1CCCO1 12712004 BKKYQOHTGUHNGI-QGZVFWFLSA-N 406.889 3.540 0 50 HHAA Cc1ccccc1CN[C@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 14536101 TWEYDJYGQYDTOQ-NRFANRHFSA-N 402.542 3.589 0 50 HHAA Cc1nn(C)c(C)c1CN(C(=O)c1cn(Cc2cccc3ccccc23)nn1)C1CC1 14980784 JRGLWSKLDMMFPQ-UHFFFAOYSA-N 414.513 3.635 0 50 HHAA C[C@@H](Cn1ccc2ccccc21)NC1CCN(c2ccc(C(=O)N(C)C)cc2)CC1 15001297 WTKCBSNYNOGSAI-IBGZPJMESA-N 404.558 3.990 0 50 HHAA CCOc1ccccc1CN1CCN(C/C=C/c2ccc(OC)cc2)C[C@@H]1CCO 20776934 XUWLTMUIQIJSIZ-YQTDCCHMSA-N 410.558 3.676 0 50 HHAA CC(C)c1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1nccc(-c2cccs2)n1 55358009 XIIBGPRWXALLRJ-UHFFFAOYSA-N 424.574 3.680 0 50 HHAA COc1ccc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)cc1Cn1cccn1 67692312 RSBHPXHPAUZXDZ-VWLOTQADSA-N 416.569 3.963 0 50 HHAA O=C(Nc1ccc2ccccc2c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72437298 QBRJWJVDJCXFPV-UHFFFAOYSA-N 416.529 3.974 0 50 HHAA O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 257199269 XXEFNKUKVVUJPS-CSGUBPAMSA-N 403.530 3.507 0 50 HHAA COC(=O)c1cn(Cc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc2c(=O)[nH]nc1-2 263588078 OWDRVQSNAQHQDY-UHFFFAOYSA-N 414.421 3.628 0 50 HHAA N=C(O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc(OCc3cccs3)c2)C1 328604658 KSUWGZUTPITPPZ-HNNXBMFYSA-N 410.499 3.953 0 50 HHAA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(=O)N(C)Cc1csc([C@@H](C)OC)n1 328606439 RNKJZUOWBUMHPW-QKAVXHIFSA-N 402.516 3.558 0 50 HHAA CCOc1ccc(C2(CNC(=O)[C@H](O)c3ccccc3Cl)CCOCC2)cc1 764873767 GMLDHGFSMRHZFP-HXUWFJFHSA-N 403.906 3.637 0 50 HHAA Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(C)c3nc(N)sc3c2)CC1 952971482 KEOIALCKSKJROH-UHFFFAOYSA-N 408.527 3.986 0 50 HHAA Cc1ccccc1OC[C@H]1CCCN(Cc2cc(=O)n3nc(C4CC4)sc3n2)C1 1529171788 BNHNMDQLYCVZHK-INIZCTEOSA-N 410.543 3.628 0 50 HHAA Cc1ccc2nc(SCCC(=O)N(CCN(C)C)Cc3cnc[nH]3)cc(C)c2c1 1772700971 KUYFWTTXABYFNR-UHFFFAOYSA-N 411.575 3.647 0 50 HHAA COc1ccc(-n2ccnc2CN2C[C@@H]3CNC[C@]3(CCc3ccccc3)C2)cc1 1772813189 VCCXGZXOHVVEEC-SQJMNOBHSA-N 402.542 3.535 0 50 HHAA O=C(c1cc(-n2ccnn2)ccc1F)N1CCC(Oc2ccc(Cl)cc2)CC1 1875315277 NMKZPTWGFJNQMV-UHFFFAOYSA-N 400.841 3.743 0 50 HHAA CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2cc3ncc(C(C)C)cc3[nH]2)s1 2325851052 NRKJXDLCGVLKAS-LBPRGKRZSA-N 413.499 3.812 0 50 HHAA Cc1cc(C[C@@H](C)NC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)sc1C 2356160205 IKIOPTJZTIFGBT-CQSZACIVSA-N 404.601 3.939 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCc2ccccc2)cc1 640686 QNNANQHRWUYUMK-UHFFFAOYSA-N 408.523 3.793 0 50 HHAA O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCCc1ccccc1 711900 KJQWMYXQDNPWHC-UHFFFAOYSA-N 404.495 3.978 0 50 HHAA CCc1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1 881421 VNGZCIBQKXNPLI-UHFFFAOYSA-N 410.280 3.980 0 50 HHAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)n2nnnc2N1 957901 GUYPBPKDRXPMSG-INIZCTEOSA-N 401.257 3.908 0 50 HHAA COc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 1188651 UOSGRWSXNXQFKL-UHFFFAOYSA-N 410.495 3.525 0 50 HHAA COc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)cs2)cc1 2850574 ZBPQUNMVVILBPY-UHFFFAOYSA-N 418.496 3.818 0 50 HHAA CCOc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)NCc1ccccc1 2852905 DFXJMANLPHUKAT-UHFFFAOYSA-N 412.555 3.942 0 50 HHAA COc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)cc1OC 4165012 YNYWWQANRHVOFF-FQEVSTJZSA-N 424.482 3.722 0 50 HHAA O=C(NC[C@@H]1CCCO1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 4952948 UNRABGGJLVMDPJ-IMJJTQAJSA-N 412.387 3.591 0 50 HHAA CCSc1nnc2c(n1)O[C@@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 5102403 HFCJHVREZARONC-LJQANCHMSA-N 411.874 3.913 0 50 HHAA biogenic CN(Cc1cnn(C)c1)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 6828184 JMPUCERXWREPGZ-UHFFFAOYSA-N 414.465 3.679 0 50 HHAA Cc1nnc(SCC(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3C)C2)s1 11765328 LZBYIISPHJFZRC-SFHVURJKSA-N 418.632 3.660 0 50 HHAA COc1cccc(-c2cc(CC3(O)CCN(Cc4nc(C)c(C)nc4C)CC3)on2)c1 11839225 JDSDCDWEOLYNOO-UHFFFAOYSA-N 422.529 3.635 0 50 HHAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2ccncc2)CC1 12305648 HZYKYMVJTIPTBQ-VWLOTQADSA-N 421.585 3.852 0 50 HHAA C[C@H]1CN(Cc2ccc3c(c2)CN(Cc2cc(F)cc(F)c2)CCO3)C[C@@H](C)O1 14878956 JUJFDTSTTAOIEB-CALCHBBNSA-N 402.485 3.969 0 50 HHAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCCN1CCCC1=O 17091172 QTPFUFJGJIELMF-UHFFFAOYSA-N 417.556 3.501 0 50 HHAA COc1ccc(C(=O)N[C@@H](Nc2ccccn2)C(Cl)(Cl)Cl)cc1OC 19954772 ZCLXNAVYGNNYNP-OAHLLOKOSA-N 404.681 3.637 0 50 HHAA CN1C(=O)[C@@]2(NCCc3c2[nH]c2ccc(Cl)cc32)c2cc(Br)ccc21 20064227 BZHLYMGLKOUBBH-LJQANCHMSA-N 416.706 3.950 0 50 HHAA biogenic CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccc(C)cc2)ccc1=O 20095508 PULHMSMVIYBULS-IBGZPJMESA-N 405.454 3.580 0 50 HHAA O[C@@H](COc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 20294432 MIEQTGGXHMZWBB-XMMPIXPASA-N 402.538 3.834 0 50 HHAA COc1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1OC 44851764 QQHBJESKQUWFEA-UHFFFAOYSA-N 414.521 3.804 0 50 HHAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N(C)CC(C)C)nc2c1=O 72456547 GRFNAGYEUWTREW-UHFFFAOYSA-N 410.493 3.996 0 50 HHAA O=C1[C@H]2[C@@H](c3ccc(F)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 138559563 TXHRYVAYLONMQQ-RCCFBDPRSA-N 420.271 3.668 0 50 HHAA CCOc1cc(CN2CCC(NC(=O)c3coc(-c4ccccc4)n3)CC2)ccc1O 170605916 VKRYJOPWIHUFQR-UHFFFAOYSA-N 421.497 3.840 0 50 HHAA COc1c[nH]c(CN2CC[C@]3(CCCN(Cc4ccc(C(C)C)cc4)C3)C2)cc1=O 426414409 OIYMVVWZWKKFQO-VWLOTQADSA-N 409.574 3.995 0 50 HHAA CSCC[C@@H](NS(=O)(=O)c1cccc2ccccc12)c1nnc2ccccn12 437229334 UDUKKQKGRXRMBV-QGZVFWFLSA-N 412.540 3.655 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)NCC[C@@H]2CC[C@H](N)C2)C1 952891803 CICOXSGHYDCVRT-WMZOPIPTSA-N 413.541 3.623 0 50 HHAA C[C@@H]1CCn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3ccccc3)nc2C1 1275153150 JUVWRPLVFVBBFQ-XLIONFOSSA-N 424.545 3.900 0 50 HHAA O=C(CCSc1ccc2c(c1)OCCO2)N1CCC([C@@H](O)c2cccs2)CC1 1506421087 DYKACCVDEZSRTE-OAQYLSRUSA-N 419.568 3.974 0 50 HHAA OC[C@@]12CN(Cc3ccc(Cl)s3)C[C@H]1CN(c1ncc(Cl)cc1F)C2 1772805451 KYVSTZNKQHOHOQ-GTNSWQLSSA-N 402.322 3.520 0 50 HHAA O=C(c1ccc(F)cc1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857699954 FXOAQUOIFNCEML-QHCPKHFHSA-N 404.445 3.504 0 50 HHAA O=C(c1cnccn1)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857705262 ZXMXHPMKHGFXGX-NRFANRHFSA-N 408.546 3.579 0 50 HHAA Cc1c(F)cccc1C(=O)N1CCC2(CC1)CN(Cc1ccccc1)C(=O)CCO2 1857718821 USSMEDRNCYBJBK-UHFFFAOYSA-N 410.489 3.558 0 50 HHAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCC[C@H]1c1nc(-c2ccncc2)no1 1857728590 ILKROXQMXJPKAL-KRWDZBQOSA-N 400.442 3.807 0 50 HHAA O=C1CCSc2ccc(S(=O)(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)cc2N1 2325820464 XUVJHAWAXZTNOI-CTYIDZIISA-N 422.959 3.999 0 50 HHAA COc1cc2c(=NCC(C)(C)c3ccc(C)cn3)[nH]cnc2cc1Br 2325861865 ATBSPUBFMYFNOK-UHFFFAOYSA-N 401.308 3.916 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC1)OCC2 2356149918 YKVNZJDLRGKSQB-UHFFFAOYSA-N 408.498 3.555 0 50 HHAA Cn1nc(-c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccccc2c1=O 1112597 RHQUHWACTWDKRN-UHFFFAOYSA-N 403.413 3.757 0 50 HHAA CCOC(=O)c1c(NC(=O)CSc2nc(SC)ns2)sc(C)c1C 2323868 XPGCXECBWBWPOZ-UHFFFAOYSA-N 403.576 3.846 0 50 HHAA CCSc1nnc2c(n1)O[C@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 5102404 HFCJHVREZARONC-IBGZPJMESA-N 411.874 3.913 0 50 HHAA biogenic Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 7054475 BLAVTDXTPPQOAC-INIZCTEOSA-N 422.572 3.525 0 50 HHAA Cc1c(C(=O)N(C)C[C@H]2CCCN(C)C2)sc2ncnc(NCc3ccco3)c12 12097217 AUDCXPPTAAWESO-HNNXBMFYSA-N 413.547 3.619 0 50 HHAA COc1cccc(C(=O)NC[C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)c1OC 12192463 ZLROBFLQINHSMG-QGZVFWFLSA-N 407.514 3.827 0 50 HHAA O=C(NC1CCCC1)c1ccc(OC2CCN(C[C@H]3CCOC3)CC2)c(Cl)c1 14947857 OSQXMHWGPXSOJN-MRXNPFEDSA-N 406.954 3.892 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)CCCN2CCCCC2=O)C1 14966347 FUZLYTDRUSAASQ-FQEVSTJZSA-N 408.546 3.795 0 50 HHAA Cc1ncc2c(c1CNC(=O)c1ccoc1C)CCN(C(=O)CC1=CCCCC1)C2 15006668 YHKBNAAROVDZFC-UHFFFAOYSA-N 407.514 3.997 0 50 HHAA Cc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 23382472 ZFGCDSKRXFMZOM-OAQYLSRUSA-N 411.465 3.856 0 50 HHAA Cc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)c1 67604730 RPYZOBGBVWAMGX-UHFFFAOYSA-N 408.477 3.713 0 50 HHAA Cc1cccnc1CN1CCC2(CC1)CN(CCCN(C)C1CCCCC1)C(=O)O2 77485917 FZZWLBDRSDKSKT-UHFFFAOYSA-N 414.594 3.831 0 50 HHAA CCCn1c(C)c(CC(=O)NCc2nc(C(C)C)no2)c2c1CC(C)(C)CC2=O 95526256 DLQUCJYJSPUQGF-UHFFFAOYSA-N 400.523 3.727 0 50 HHAA CCCn1c(C)c(CC(=O)N(C)[C@@H](C)c2nc(C)no2)c2c1CC(C)(C)CC2=O 95529470 SUUDQNBWSWPNST-AWEZNQCLSA-N 400.523 3.815 0 50 HHAA CCOc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5OC)no4)c3CO2)cc1 169758425 VNYLRAZCXGPJCD-IBGZPJMESA-N 419.441 3.674 0 50 HHAA C[C@@H](Nc1ccc(S(C)(=O)=O)cc1F)c1cc(F)ccc1N1CCC(O)CC1 807968161 PSOTZLSMBKVGEO-CYBMUJFWSA-N 410.486 3.503 0 50 HHAA CN1CCN(C2(CNC(=O)C[C@H](c3ccccc3)c3ccco3)CCCCC2)CC1 823789311 CXYUMJOILHEQLY-JOCHJYFZSA-N 409.574 3.868 0 50 HHAA Cc1nn(C)c(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1Cl 1704300002 UECYWMCGBLAFEI-QHCPKHFHSA-N 421.932 3.959 0 50 HHAA CSc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 780277 IIIISBBIMGFDBD-UHFFFAOYSA-N 418.584 3.556 0 50 HHAA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 991015 LDJDUPYUAUBCRL-QGZVFWFLSA-N 403.276 3.610 0 50 HHAA C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 1093655 OGAVNWQOHIZJAB-OAHLLOKOSA-N 406.935 3.618 0 50 HHAA Cc1ccc(-n2ncc3c(N4CCN(c5ccc(F)cc5)CC4)ncnc32)c(C)c1 1144614 PYNAQPHABVNSSS-UHFFFAOYSA-N 402.477 3.898 0 50 HHAA CCCCN(C)S(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1C 2195465 IQBAGXZJJPJYAX-UHFFFAOYSA-N 423.542 3.982 0 50 HHAA O=C(NCCCn1ccnc1)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 2876273 KOBSNTCMQVRZQT-SJORKVTESA-N 418.423 3.560 0 50 HHAA CSc1nc2ccc(NC(=O)CSc3nnnn3-c3ccccc3)cc2s1 2944098 KNMYSCLRCUZPOG-UHFFFAOYSA-N 414.541 3.725 0 50 HHAA CCOc1ccc(CN2CCC(C(=O)N(CCN(C)C)Cc3ccccc3)CC2)cc1 4725507 RKWCCXSRLCVDDC-UHFFFAOYSA-N 423.601 3.888 0 50 HHAA O=C(OCc1cc2c(cc1Br)OCO2)c1ccc(-n2cccn2)cc1 4727267 DYLJZIOIKJHPSK-UHFFFAOYSA-N 401.216 3.721 0 50 HHAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1C 4858435 GFDMVVRSUDZCDA-UHFFFAOYSA-N 420.506 3.572 0 50 HHAA CCCc1cc(C(=O)N2CCC[C@](Cc3ccccc3F)(C(=O)OCC)C2)n(C)n1 11933422 NUXITNFKBNUHQG-HSZRJFAPSA-N 415.509 3.540 0 50 HHAA CSCCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12073158 TUULIMNMALDMND-QHCPKHFHSA-N 416.631 3.627 0 50 HHAA Cc1c(C(=O)NC[C@@H]2CCCO2)sc2ncnc(NCc3cccc(F)c3)c12 12149713 KRYAQYUNZBDCQW-HNNXBMFYSA-N 400.479 3.660 0 50 HHAA COc1ccc(CN2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC 12333271 UWPNJDCQJVMWBY-UHFFFAOYSA-N 422.447 3.957 0 50 HHAA O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 12433810 KZBOBIXDIQYDLH-FQEVSTJZSA-N 421.589 3.981 0 50 HHAA Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccccn3)c2)s1 12612769 OKLJEYQKYSQLNO-SFHVURJKSA-N 407.499 3.542 0 50 HHAA O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3ccc(Oc4ncccn4)cc3)N3CCC[C@@]123 12712320 NOVGIWLDHTVHCS-XZOYJPPVSA-N 404.514 3.949 0 50 HHAA C[C@]1(NC(=O)CN2CCN(c3ccccc3)CC2)CCCC[C@H]1c1ccc(O)cc1 55552699 QJDUGJCDLGRUEZ-ZCYQVOJMSA-N 407.558 3.747 0 50 HHAA Cc1ccc(NC(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cc1Cl 82230362 BRCNVPCVVXQATN-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA Fc1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c(F)c1F 169816976 LSCKCFIFEWTGMT-UHFFFAOYSA-N 408.470 3.620 0 50 HHAA O=C(O)[C@H]1CC[C@H](c2nc3ccc(Cl)cc3c3nc(=O)c(-c4ccccc4)nn23)C1 170620157 MZJANNJFIYBDHZ-KBPBESRZSA-N 420.856 3.926 0 50 HHAA CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)ccc1Cl 170623916 FBERZJSJKQPXLU-UHFFFAOYSA-N 415.342 3.903 0 50 HHAA Cn1ccc2c(OCC(=O)NCCOc3ccc(Br)cc3)cccc21 252500042 SMJHBBAZLUIBIS-UHFFFAOYSA-N 403.276 3.515 0 50 HHAA O=C(NCc1cccc(F)c1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263618114 RHMOFTSCZJCPFF-UHFFFAOYSA-N 404.441 3.677 0 50 HHAA CCOc1cc2c(cc1CNC(=O)[C@H]1CC(c3cc(C)ccc3C)=NO1)O[C@@H](C)C2 1264928497 BXPXUMWYFRCOSU-QMHKHESXSA-N 408.498 3.835 0 50 HHAA Cc1cc(C)n2ncc(-c3nccn3-c3cccc(C(=O)N4CCCCC4)c3)c2n1 1857681306 IHMZAHOYSQYFEK-UHFFFAOYSA-N 400.486 3.825 0 50 HHAA Cc1ncn(Cc2cccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)c2)c1C 1875262521 VLDQYFGRPZNBIE-OAQYLSRUSA-N 402.498 3.535 0 50 HHAA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C(=O)NCc1cccnc1O 1875323053 UTLOHURCANSITF-UHFFFAOYSA-N 418.478 3.627 0 50 HHAA Cc1nccn1[C@H]1CCCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)C1 1875332331 XFYIPNXPIAKCQU-HNNXBMFYSA-N 419.407 3.958 0 50 HHAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N[C@H](C)[C@H]4CCCO4)c3n2)cc1 815409 SPAGQJGMHUFECD-KZULUSFZSA-N 416.428 3.640 0 50 HHAA COc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC 869992 IJPQGRUSJZIPCB-SFHVURJKSA-N 414.502 3.714 0 50 HHAA biogenic CC(C)OC(=O)c1ccc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 943456 YORAADYWXYRSRM-IBGZPJMESA-N 408.454 3.511 0 50 HHAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2ccccn2)CC1 971064 CCWYDHUCRJAQPD-UHFFFAOYSA-N 400.841 3.800 0 50 HHAA CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 980848 PJIPPXKDOWSBLC-UHFFFAOYSA-N 408.520 3.587 0 50 HHAA COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2cccc(C)c2)c(OC)c1 1111741 PMDGAWLQPKXTDW-NRFANRHFSA-N 420.469 3.636 0 50 HHAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 1134604 QDNFDRMYAXLVQJ-SFHVURJKSA-N 424.522 3.614 0 50 HHAA O=C(O)C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(OC2CCCC2)cc1 4745743 FPPLIUTYUUHIII-HXUWFJFHSA-N 403.500 3.643 0 50 HHAA CCn1nc(C)cc1C(=O)N1CCC[C@H](CNC(=O)c2cccc3ccccc23)C1 11661064 MZLOIXFMCWMLBL-GOSISDBHSA-N 404.514 3.647 0 50 HHAA CO[C@@H](C(=O)NC[C@H]1CCC2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1 11998364 XHUGRGRARYVJTQ-DHIUTWEWSA-N 408.542 3.704 0 50 HHAA Cc1csc(-c2cc(C(=O)N(C)C[C@H](O)c3ccccc3)cc(-n3cnnn3)c2)c1 12149516 MWFYAZPOBLWEDA-FQEVSTJZSA-N 419.510 3.505 0 50 HHAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)CC2CCCC2)CC1)c1ccccc1 12298535 AIOCHPBBVIZSLS-QHCPKHFHSA-N 424.545 3.953 0 50 HHAA CC(=O)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)[nH]n1 12315621 USXWQLBSUGYQRG-KRWDZBQOSA-N 401.466 3.599 0 50 HHAA CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)c2cccc(C(=O)OC)c2)CC1 12386915 OYPJPURIVOITLH-UHFFFAOYSA-N 423.509 3.892 0 50 HHAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@H]2CCCCCN2C)CC1 12458936 UUHZMHSFRCELPX-HXUWFJFHSA-N 420.981 3.929 0 50 HHAA COc1ccc(CCN(C)[C@H]2CCC(=O)N(Cc3ccccc3F)CC2)cc1OC 14955484 JFXOAQYMPNMJFX-FQEVSTJZSA-N 414.521 3.899 0 50 HHAA COc1ccc(OC)c(CN2CCN(Cc3ccccc3Br)CC2)c1 19832123 PODKBKIOCLNLSV-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA O=C1N(CN2CCc3ccccc3C2)c2ccccc2C12O[C@H]1CCCCC[C@@H]1O2 19874401 BVZPIBXMSLWZEV-GOTSBHOMSA-N 404.510 3.950 0 50 HHAA CC[C@@H](C(=O)NC[C@H](C)Cn1cc(Cl)cn1)n1nc(C(F)(F)F)c2c1CCC2 20607696 XYQCLPFYJUPKFX-FZMZJTMJSA-N 417.863 3.644 0 50 HHAA Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(CN3CCOCC3)c2)c1 20617587 XXGCSYXCJXWZAY-UHFFFAOYSA-N 421.497 3.955 0 50 HHAA C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 225461667 FKKQMZMCZZKANE-KDOFPFPSSA-N 418.925 3.901 0 50 HHAA Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(Cl)cc12 238881755 BFYMPCVNAMZPLB-IHRRRGAJSA-N 421.877 3.529 0 50 HHAA biogenic O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Oc1ccc(-c2ccccc2)cc1 239184786 QZFVGTCQAMIXKK-IFQWMDHTSA-N 413.473 3.702 0 50 HHAA O=C(COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1)c1cccs1 239306128 GLQHCYADLDGXKN-OPLYSGQSSA-N 405.475 3.567 0 50 HHAA O=C(NCc1ccccc1Br)c1ncn2c1CO[C@H](c1ccccc1)C2 263615930 GBPBVSXZVGIWCY-SFHVURJKSA-N 412.287 3.847 0 50 HHAA COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@H](N2CCCC2)C4)c1 299762594 XNBZPSJPWSBLFK-KRWDZBQOSA-N 409.555 3.662 0 50 HHAA CC(C)CN1CCC[C@@H](CNC(=O)c2ccn(-c3cccc(Br)c3)n2)C1 448425421 OAEQTTUWEIMVDL-INIZCTEOSA-N 419.367 3.733 0 50 HHAA O=C(NC1(c2ccc(F)cc2F)CCCC1)c1ccc(S(=O)(=O)N2CCCC2)o1 760728300 LYUDPMZTOLMYOT-UHFFFAOYSA-N 424.469 3.542 0 50 HHAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCCc3ccc(OC)cc32)(c2ccccc2)CC1 1446420307 AHWFHZIVLQYVIG-QHCPKHFHSA-N 418.537 3.935 0 50 HHAA CNS(=O)(=O)c1ccc(N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c(F)c1 1776003425 OSFDFPOYSNDEOF-KRWDZBQOSA-N 420.403 3.828 0 50 HHAA CCn1nc(CC(C)C)cc1C(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857678060 RLCGPBWUGCOEIU-UHFFFAOYSA-N 405.546 3.743 0 50 HHAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)c1 1857714972 VCBKBEDDOZJPEH-TZIWHRDSSA-N 400.563 3.597 0 50 HHAA C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)CC[C@H]1O 1875328582 ZVJXGQJTSPCUIG-HIEASQCPSA-N 420.553 3.842 0 50 HHAA O=S(=O)(Nc1ccccc1-c1cn[nH]c1)c1cnn(-c2ccc(Cl)c(F)c2)c1 1875335779 GWXXMMJPQFNEPO-UHFFFAOYSA-N 417.853 3.856 0 50 HHAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C(=O)CCc2cccc(O)c2)CC1 1940198179 SHMMDUGJVDNSKF-UHFFFAOYSA-N 409.530 3.625 0 50 HHAA C[C@@H]1CN(c2cc(C(=O)N3CCCc4cc(C(F)(F)F)ccc43)ccn2)CCO1 2325738233 ATCGWXQMORATGB-CQSZACIVSA-N 405.420 3.919 0 50 HHAA COc1ncc(-c2nc([C@@H](OC)C3CC3)nn2[C@H]2CCc3c(F)cccc32)nc1C 2325872897 RCGIYTKHDFYOJQ-OALUTQOASA-N 409.465 3.824 0 50 HHAA O=C(Nc1nn(Cc2c(F)cccc2Cl)cc1Br)[C@H]1CCCO1 1052422 KWGPQUUYQPVPDJ-CYBMUJFWSA-N 402.651 3.604 0 50 HHAA CSc1nnc2c(n1)O[C@H](c1ccccn1)Nc1ccc(Br)cc1-2 1168895 KTXYQBRWWBQFDY-CQSZACIVSA-N 402.277 3.921 0 50 HHAA O=S(=O)(Oc1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 2923879 HKUGJSPKBZLOCI-UHFFFAOYSA-N 424.883 3.875 0 50 HHAA C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 2957957 PBQSEDYIRUFVEK-QGZVFWFLSA-N 412.486 3.898 0 50 HHAA CCCn1ccc2c(OCC(=O)Nc3ccccc3C(=O)OCC)cccc2c1=O 4584149 DRZQWLZMGRHAOM-UHFFFAOYSA-N 408.454 3.606 0 50 HHAA COCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-c3ccccc3F)cc2)C1 12218473 LDRCMPCFYVMPTM-KNQAVFIVSA-N 410.489 3.592 0 50 HHAA COc1ccc(N[C@@H]2CCCN(C(=O)c3ccc4nc(C)c(C)nc4c3)C2)cc1OC 12432783 WPECONUPMHVKHZ-LJQANCHMSA-N 420.513 3.981 0 50 HHAA FC(F)(F)c1ccc(N2CCC[C@@H](NC3CCN(Cc4ccco4)CC3)C2)nc1 12597158 QKAUJUXFINJHOI-GOSISDBHSA-N 408.468 3.916 0 50 HHAA CN(C(=O)c1cc2ccccc2oc1=O)[C@H]1CCCN(CCCc2ccccc2)C1 14948436 VXOUDUDNWRLPEQ-NRFANRHFSA-N 404.510 3.962 0 50 HHAA CCNC(=O)c1ccc(-c2cc(C)cs2)nc1N1CCC(C(=O)OCC)CC1 15072543 JTXZPRZISSUFPP-UHFFFAOYSA-N 401.532 3.648 0 50 HHAA COc1ccc([C@@H]2c3c(nn(-c4ccccc4)c3C)C[C@@](C)(O)[C@@H]2C(C)=O)cc1OC 33837875 CQJYUMMMUFETNO-UBFVSLLYSA-N 420.509 3.842 0 50 HHAA O=C(/C=C/c1ccncc1)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55054473 BBXYBEHOABOWPP-WMWRJIBUSA-N 410.949 3.561 0 50 HHAA COc1ccc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1Cn1cccn1 67692314 RSBHPXHPAUZXDZ-RUZDIDTESA-N 416.569 3.963 0 50 HHAA O=C1[C@H]2[C@H](/C=C/c3ccccc3)N3CSC[C@@H]3[C@@H]2C(=O)N1c1ccc(Cl)cc1 138209256 UNKLTRXXWKZTPX-LSTODMQZSA-N 410.926 3.916 0 50 HHAA COc1ccccc1CC(=O)N[C@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169753494 WGNFGIQNTIRGQY-IBGZPJMESA-N 408.477 3.552 0 50 HHAA COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(OC(C)C)c(C(N)=O)c1 225545528 ZIHLYCVBBPYNJQ-UHFFFAOYSA-N 405.882 3.594 0 50 HHAA CCCc1nc2ccccc2n1[C@H](C)C(=O)N(C)Cc1nc(-c2ccccn2)no1 426399351 FCSDQYOQFRZTLM-OAHLLOKOSA-N 404.474 3.653 0 50 HHAA O=C(NS(=O)(=O)C1=Cc2ccccc2CC1)c1cccc(OCc2cccnc2)c1 733685440 LTIUNGLDNFKCRP-UHFFFAOYSA-N 420.490 3.708 0 50 HHAA O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1ccc(-n2ccnc2)nc1 789890136 PXXHWILVFIAXLZ-MRXNPFEDSA-N 416.312 3.973 0 50 HHAA O=S(=O)(NCc1nc(-c2ccccc2)n[nH]1)c1cc(Cl)ccc1C(F)(F)F 795816559 UVSKDJIKCCEGCR-UHFFFAOYSA-N 416.812 3.622 0 50 HHAA O=C(c1cn(CC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)c2ccccc12)C1CC1 1506412257 AXVUZEPCSVDSQD-GOSISDBHSA-N 415.493 3.751 0 50 HHAA Oc1nc(-c2cccnc2)nc2c1CC[C@]21CCCN(c2cnc3ccccc3n2)C1 1857701156 QYFIEWOCRJHGAY-DEOSSOPVSA-N 410.481 3.672 0 50 HHAA CC(C)[C@H]1CN(Cc2cc(=O)n3nc(C4CC4)sc3n2)C[C@@H](c2ccccc2)O1 1875243141 SDSXLRACJOTEGM-MOPGFXCFSA-N 410.543 3.627 0 50 HHAA CCO[C@@H]1C[C@H](NC(=O)c2ccc(NC[C@H]3Cc4ccccc43)nc2)C12CCOCC2 1875325424 NJGBSQOQNXNOED-BAGYTPMASA-N 421.541 3.537 0 50 HHAA Cc1cc(C(=O)N2CCC[C@]23CCCN(CCc2ccccc2)C3=O)cc(C)c1O 2356167258 VXIDNEBLDUCMQO-VWLOTQADSA-N 406.526 3.849 0 50 HHAA COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1Br 813078 HYADBFUXVFEUTA-UHFFFAOYSA-N 406.685 3.921 0 50 HHAA O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc2c(c1)OCO2 916926 WGEMIXYCMPEKTB-HNNXBMFYSA-N 410.373 3.876 0 50 HHAA COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1Cl 983156 IYWKLUKVKAKEDX-UHFFFAOYSA-N 401.315 3.513 0 50 HHAA Cc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccccc2)cc1 2903674 PQGDMWRGNZDVQM-UHFFFAOYSA-N 402.560 3.987 0 50 HHAA CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCc1ccccc1 4189506 OAPFFNVLXQTFPA-FQEVSTJZSA-N 412.511 3.800 0 50 HHAA COc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 4756906 UGWSUKXYBCZYDQ-UHFFFAOYSA-N 410.495 3.734 0 50 HHAA COc1cc2c(c(OC)c1)[C@H](c1cc(OC)c(OC)cc1Br)CC(=O)N2 9559829 ULUABFXIPLOUMK-LBPRGKRZSA-N 422.275 3.958 0 50 HHAA Cc1csc(S(=O)(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)c1 11715503 USKZWWHXHMZVOE-UHFFFAOYSA-N 424.563 3.693 0 50 HHAA O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCCc1ccncc1 12246944 URVPQDOWKBGPAF-GOSISDBHSA-N 415.921 3.567 0 50 HHAA CSc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@H](NC(C)=O)C(C)C)O3)cc1 14970255 XLCXIEUAZWQWBU-DENIHFKCSA-N 412.555 3.656 0 50 HHAA COc1ccc(Cl)cc1-c1cc(C(=O)N2CCC[C@@H](C)C2)cc(-n2cnnn2)c1 14986837 VDERCTIBGNZHSL-CQSZACIVSA-N 411.893 3.863 0 50 HHAA COc1cccc(CN2CCN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)c1 20271142 CCECIBGDBLVZJV-NRFANRHFSA-N 423.582 3.888 0 50 HHAA COc1ccccc1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1 20271438 ZWZJBNGAAWYFDQ-MRXNPFEDSA-N 400.425 3.854 0 50 HHAA COc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OC)cc3C)n(C)n2)c(C)c1 20616484 RRNJWLFKCAPGDZ-UHFFFAOYSA-N 408.458 3.559 0 50 HHAA Cn1c(CN2CCC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2)nc2ccccc21 20908155 DCLOUYRAQCDSAF-UHFFFAOYSA-N 414.513 3.814 0 50 HHAA CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2n[nH]c3c2CCC3)C1 76954679 KDRFPIFNUWHHPG-IWXKUNQBSA-N 407.514 3.787 0 50 HHAA Cc1ccc(CN2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)cc1 104469133 PZCSKNDBULZYLA-HSZRJFAPSA-N 408.521 3.593 0 50 HHAA CCc1ccc(OC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c1 225540458 ZDYHYPWCMZNSCM-UHFFFAOYSA-N 408.951 3.730 0 50 HHAA CCS(=O)(=O)Nc1ccccc1C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 470582949 OWVWNEGFSZLOSQ-UHFFFAOYSA-N 422.497 3.821 0 50 HHAA COc1ccc(CN2CCC[C@H]2c2nc(-c3cccnc3)no2)cc1Cn1cccn1 824722891 XJAWJPLWMGFBKD-FQEVSTJZSA-N 416.485 3.722 0 50 HHAA Cc1ccc(C(=O)N2CCC(C(=O)NCCc3nc4ccc(C)c(C)c4[nH]3)CC2)cc1 825168350 CGHWUXQXVKYXIZ-UHFFFAOYSA-N 418.541 3.699 0 50 HHAA Cc1ccc(C(=O)N2CCC(C(=O)NCc3c[nH]nc3-c3cccs3)CC2)cc1 952980372 KGQBIDQZQOCJNQ-UHFFFAOYSA-N 408.527 3.615 0 50 HHAA Cc1ccc(S[C@H](C)C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)cc1 952984589 WWZOFUCRNMWLRJ-JOQGTDRZSA-N 411.575 3.635 0 50 HHAA COc1cc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)ccc1OCc1ccccc1 1800411418 JPFQWGOLLQLKKF-FQEVSTJZSA-N 411.498 3.587 0 50 HHAA Oc1nc(-c2ccccc2)nc2c1CCC21CCN(c2noc(C3CCC3)n2)CC1 1857725688 IMFWJFDCQMMRFN-UHFFFAOYSA-N 403.486 3.984 0 50 HHAA COc1ccccc1-c1noc(CCCC(=O)Nc2cc(-c3ccccn3)nn2C)n1 2356138276 KRPPSPCVPACSBJ-UHFFFAOYSA-N 418.457 3.502 0 50 HHAA COC(=O)c1c(N2CCC[C@@]3(CCc4cnc(C)nc43)C2)noc1-c1ccccc1 2356159597 IQTDWDZBQWDSIO-HSZRJFAPSA-N 404.470 3.711 0 50 HHAA Cc1cccc(C)c1NC(=O)CSc1nc(O)c(C)c(=O)n1-c1ccc(F)cc1 1101512 HMEGXBYWNFGAHW-UHFFFAOYSA-N 413.474 3.733 0 50 HHAA CCOC(=O)c1c(NC(=O)[C@H]2CCC(=O)N2C2CCCC2)sc2c1CCCC2 1123357 PZQMWTRIMXLUOS-OAHLLOKOSA-N 404.532 3.676 0 50 HHAA CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccccc1 2760364 BSPMLFLFBDUHPG-KGLIPLIRSA-N 400.456 3.592 0 50 HHAA Cc1nnc(SCC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)s1 11719240 BEKOHJYJOYTDKS-MRXNPFEDSA-N 413.572 3.954 0 50 HHAA CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cc(O)c3ccccc3n2)CC1 11753771 QXMMVGUFLRJNAX-UHFFFAOYSA-N 407.518 3.959 0 50 HHAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 11818742 XEAOYOOEWMDBDA-SFHVURJKSA-N 411.521 3.789 0 50 HHAA O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCSCC1 12429317 GZKVWRZIVBATRU-UHFFFAOYSA-N 410.583 3.962 0 50 HHAA Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1CNC[C@H]1CCCO1 13660096 FOFDCQHEZOTDFJ-HLAWJBBLSA-N 400.906 3.580 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2[nH]c3ccccc3c2C)C[C@@H]1CCO 19720622 SQBVFYILJFUUST-NRFANRHFSA-N 407.558 3.944 0 50 HHAA Cc1cnccc1CNC(=O)C1CCN(C2CCN(Cc3ccccc3C)CC2)CC1 55183349 PRKRGRIUOUPOMI-UHFFFAOYSA-N 420.601 3.691 0 50 HHAA CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc(F)c1 169620970 PFQZJEUDBCQQSR-NWFVXXGESA-N 422.493 3.549 0 50 HHAA CC[C@@H](N[C@@H](C)c1nnc(-c2ccccc2F)s1)c1cccc(S(N)(=O)=O)c1 170616891 PTQICLHGDRUWCO-YVEFUNNKSA-N 420.535 3.794 0 50 HHAA CSCC[C@@H](NC(=O)Cc1ccc2c(c1)OCCCO2)c1nc2ccccc2[nH]1 223237566 XHLYSVFDTBJNFE-GOSISDBHSA-N 411.527 3.877 0 50 HHAA O=C(c1cc(Cl)cc(Br)c1F)N1CCC(OC[C@H]2CCOC2)CC1 225525705 PQXBHUPBMHXMHU-NSHDSACASA-N 420.706 3.899 0 50 HHAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)cc1C 245311651 PNWRSFZTCKAQCO-XSDIEEQYSA-N 422.912 3.792 0 50 HHAA O=C(N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1cccn1Cc1cccs1 328589582 DOAUODHSOYDXSB-IBGZPJMESA-N 407.539 3.561 0 50 HHAA Fc1ccc(/C=C/CN2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c(F)c1 328602962 DKKBWLJILFRQSJ-FUOJELCOSA-N 409.440 3.872 0 50 HHAA O=C(c1ccc(OC2CCOCC2)cc1)N1CCC(CO)(Cc2ccccc2)CC1 444623571 YICWUNFZYRIGAX-UHFFFAOYSA-N 409.526 3.702 0 50 HHAA Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)N1CC[C@@H]1c1cccc(F)c1 1476481082 SHZGLMOXOOAEHQ-HXUWFJFHSA-N 412.465 3.517 0 50 HHAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCCC[C@@H]1CCn1cccn1 1506401847 GIHACXLEVVHHEB-OAHLLOKOSA-N 406.533 3.542 0 50 HHAA O=C(N[C@H]1CCc2nn[nH]c2C1)c1sc2cc(C(F)(F)F)ccc2c1Cl 1857530474 LVXFAKYILVWSNR-QMMMGPOBSA-N 400.813 3.979 0 50 HHAA Cc1ccc(NC(C)C)c(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1 1857712264 ULFIPHUEJOLWSA-RQTOMXEWSA-N 419.525 3.730 0 50 HHAA O=C(c1n[nH]c2ccccc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356159254 SGPXAAGLTSMSTO-MSYCTHLASA-N 424.504 3.768 0 50 HHAA COc1ccc(OCc2ccc(C(=O)N3N=C(C)C[C@]3(O)C(F)(F)F)cc2)cc1 652840 GBXUTHDPRUJKFH-IBGZPJMESA-N 408.376 3.747 0 50 HHAA CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 827306 UCSIATKRJMOHFN-AWEZNQCLSA-N 401.260 3.643 0 50 HHAA CCOC(=O)C1=C(CSc2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 1069974 VTWHJWALLXQIEV-HXUWFJFHSA-N 412.511 3.967 0 50 HHAA O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 1131653 HGPAUEJLKZJLHH-UHFFFAOYSA-N 408.523 3.779 0 50 HHAA Cc1cc(Br)ccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 2883572 NRDCSXJBLBWRFE-UHFFFAOYSA-N 401.260 3.772 0 50 HHAA CCOC(=O)c1ccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 4971946 RTNDKLOBRISSRU-UHFFFAOYSA-N 408.845 3.710 0 50 HHAA COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 12458068 AXYPDWMLKORYNS-QGZVFWFLSA-N 403.906 3.815 0 50 HHAA COC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1cc(OC)c(OC)c(OC)c1 13638107 ZQGGTDDDIJTIOE-IBGZPJMESA-N 409.442 3.502 0 50 HHAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20230423 MNHOHFACYQYFRQ-UHFFFAOYSA-N 407.392 3.784 0 50 HHAA CN(CCc1ccccc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 23128944 DUEYJYGKJWDQKJ-XMMPIXPASA-N 415.537 3.857 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@H](NCc2cccc(F)c2)CN1Cc1ccccc1Cl 32516130 WXVOFQXWFWYGOL-FPOVZHCZSA-N 403.929 3.736 0 50 HHAA Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)CCCn3cnnn3)cc(Cl)cc12 77322171 LJFIVNNLYPJHDP-UHFFFAOYSA-N 408.893 3.880 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2ccc3cc(F)ccc3n2)C[C@@H]1CCO 95522422 MDIKGYXQBWMGSZ-QHCPKHFHSA-N 423.532 3.841 0 50 HHAA O=C1[C@@H]2[C@H](C(=O)N1c1c(Cl)cccc1Cl)N1CCCN1[C@H]2c1ccc(F)cc1 138562460 WBFBOAWLYBFSTP-XYJFISCASA-N 420.271 3.668 0 50 HHAA COc1ccccc1CC(=O)NCCn1cccc1-c1nc(-c2ccccc2)no1 169754428 YBGXYJHQKGIHCU-UHFFFAOYSA-N 402.454 3.573 0 50 HHAA CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)CC1 222427206 HBIHILGQENLYSC-TUNPWDSISA-N 407.599 3.698 0 50 HHAA CC(C)(C)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccc(F)cc1 225514368 CBQDWGINBFJVHF-LJQANCHMSA-N 417.506 3.921 0 50 HHAA COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3nc(SC)nn32)cc1 229865323 KOLZEXYQKJPCGE-FSPWUOQZSA-N 409.515 3.667 0 50 HHAA CCc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)cc1 238882137 CMQKVNGXBJDBNQ-FUHIMQAGSA-N 406.404 3.661 0 50 HHAA CCCc1cc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)sc1C 328603551 GMCSYRZKKUKEAR-OXJNMPFZSA-N 416.591 3.861 0 50 HHAA CNC(=O)c1cc2cc(NC(=O)N3CCC[C@H]3c3cccc4c3OCCO4)ccc2[nH]1 471376023 LBXGPGFULCUZMN-IBGZPJMESA-N 420.469 3.668 0 50 HHAA Cc1sc(NC(=O)c2cccn3ccnc23)nc1-c1ccc2c(c1)CCC(=O)N2 1875261200 ZVTBFIMJPUMXAY-UHFFFAOYSA-N 403.467 3.903 0 50 HHAA CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2CCC[C@@H]2C(=O)OC(C)(C)C)CCCCC1 1875356205 JVEVGEWZSORNOY-JKSUJKDBSA-N 410.555 3.841 0 50 HHAA Cc1nc(N[C@H](C)c2noc(COC(C)C)n2)c2cnn(-c3cccc(F)c3)c2n1 1875361100 PJNZDHNTIBAQOQ-GFCCVEGCSA-N 411.441 3.744 0 50 HHAA O=C(N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21)C12CCC(C(=O)N3C[C@H]4[C@H]5CC[C@@H](C5)[C@@H]43)(CC1)CC2 2325750123 QVQLVDVBBSOMCH-IWEVGIETSA-N 408.586 3.841 0 50 HHAA COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 731770 HJZJRVLKVSCTMZ-UHFFFAOYSA-N 424.313 3.705 0 50 HHAA O=C(Nc1cc(NC(=O)c2ccccc2)c(C(=O)O)cc1C(=O)O)c1ccccc1 754759 UUDYZUDTQPLDDP-UHFFFAOYSA-N 404.378 3.588 0 50 HHAA in-vitro Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2)c1C 1088126 RCBKTSYZYLPKRP-RTBURBONSA-N 411.483 3.834 0 50 HHAA COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc(C(=O)OC)c1 1199856 FWLNTQLKUVBRJB-LBPRGKRZSA-N 405.834 3.628 0 50 HHAA Cc1cc(OCC(=O)c2ccc(Br)cc2)ccc1N1C(=O)CCC1=O 2871337 AMECYKKGJJZQTE-UHFFFAOYSA-N 402.244 3.673 0 50 HHAA Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 2876117 GOOOYKKZSKWMLA-UHFFFAOYSA-N 414.458 3.952 0 50 HHAA COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccc5c(c4)OCO5)cc23)c1 6577639 RPQPDDHHQSWGMU-UHFFFAOYSA-N 421.478 3.969 0 50 HHAA aggregator Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@H]3C(=O)Nc2ccc(F)c(F)c2)s1 11880838 CHLKZKNEKUUAIE-AWEZNQCLSA-N 405.470 3.919 0 50 HHAA O=C(Cc1ccccc1)Nc1ccnn1C1CCN(C2Cc3ccccc3C2)CC1 12204816 JAWANJHDDARNMU-UHFFFAOYSA-N 400.526 3.869 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(Cc2cccc(OCCO)c2)C1 12210083 LKILXATTWHWHQB-RUZDIDTESA-N 411.542 3.754 0 50 HHAA Cn1ccnc1[C@@H]1CCCCN1C(=O)c1cn(Cc2cccc3ccccc23)nn1 12306416 MXSBOFOWMPQXFN-NRFANRHFSA-N 400.486 3.581 0 50 HHAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 12308047 CUPQDYJHMFIDHB-QGZVFWFLSA-N 424.570 3.958 0 50 HHAA Cc1cc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCCN24)cc(C)c1O 12372830 BBCCJVHLTGSGHW-KJOQGJGQSA-N 402.538 3.914 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1ccc(F)c(F)c1)C2 14752575 JLWYUIFEFVLQKA-QGZVFWFLSA-N 416.516 3.845 0 50 HHAA Cc1cccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)n1 14972263 IGUVDUDQEPNWSV-JOCHJYFZSA-N 417.513 3.826 0 50 HHAA O=C(NCCC1=CCCCC1)c1cn2c3c(cc(Br)cc3c1=O)CC2 33088962 FMSSYZSUOBZJTJ-UHFFFAOYSA-N 401.304 3.940 0 50 HHAA O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 229693736 RTPIUFALSYGFOB-BHIFYINESA-N 415.493 3.528 0 50 HHAA CC(C)c1c(NC(=O)N2CC(=O)N(CC3CC3)C2)cnn1-c1ccccc1Cl 433843809 OQRVDCCBKAOODQ-UHFFFAOYSA-N 401.898 3.693 0 50 HHAA Cc1nccn1-c1ncccc1CNC(=O)C1(c2ccccc2Cl)CCOCC1 730533500 GGSGSZOPTJLQTJ-UHFFFAOYSA-N 410.905 3.594 0 50 HHAA C[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2cccc(C(F)(F)F)c2)C1 822416745 AMHLZKUKRDJODE-BXUZGUMPSA-N 406.408 3.911 0 50 HHAA CN(C)[C@H]1CC[C@H](NC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)C1 952891846 CRPHDOTYRLWJCV-PMACEKPBSA-N 411.525 3.654 0 50 HHAA COc1cc2c(cc1CN1CCC[C@H](c3nc(CC(C)C)no3)C1)OCCCO2 952966223 URAXBZYAJPBXKZ-INIZCTEOSA-N 401.507 3.818 0 50 HHAA CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cs1 1292393942 DFOGGYJAVVRYTC-OLMNGRFOSA-N 405.564 3.765 0 50 HHAA O=C(NC[C@H]1CC[C@H](O)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 1875328601 ASKQRMNWMIOOLZ-UDZUZDSLSA-N 420.553 3.890 0 50 HHAA Cc1cc2c(=O)n(NC(=O)c3ccc(COc4ccc(F)cc4)o3)c(C)nc2s1 651340 RGAPGZBCDBIWCA-UHFFFAOYSA-N 413.430 3.770 0 50 HHAA CCOC(=O)c1cc(CC)sc1NC(=O)C[C@H]1Nc2cc(C)c(C)cc2NC1=O 1135473 WXUGNLRCZZLCLI-QGZVFWFLSA-N 415.515 3.865 0 50 HHAA CCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)/C=C/c1ccc(OC)cc1 2814697 YYMUFEACGOVIFW-ITZXJQBVSA-N 422.481 3.511 0 50 HHAA CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 7381703 GGALXFHDQMEOLG-HXUWFJFHSA-N 407.445 3.947 0 50 HHAA CCOc1cc(CN2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)ccc1OC 11782523 HRNJOSHRILPRRL-VWLOTQADSA-N 420.509 3.965 0 50 HHAA CSc1nc(C(=O)N2CCc3ccc(NC(=O)c4ccccn4)cc3C2)cs1 11843359 AUOSHZNBLZMCNU-UHFFFAOYSA-N 410.524 3.711 0 50 HHAA O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 11970834 RINPRFIETJKKDZ-SFHVURJKSA-N 422.868 3.793 0 50 HHAA Cc1ccccc1C[C@]1(CO)CCCN(S(=O)(=O)c2cccc3cccnc23)C1 12386310 CGAIIBILERZHFF-HSZRJFAPSA-N 410.539 3.549 0 50 HHAA COc1ccccc1CCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc(F)cc3)CC[C@@H]21 20209589 LQYOTJMRXCPMQS-CTNGQTDRSA-N 410.489 3.530 0 50 HHAA Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 23411672 CASCNTPYVNBPJT-OAQYLSRUSA-N 411.465 3.856 0 50 HHAA COc1cccc(N2CCN(Cc3nc(-c4cc(F)cc(F)c4)oc3C)CC2=O)c1 55255328 MJAUZBLKHSREHM-UHFFFAOYSA-N 413.424 3.786 0 50 HHAA O=C(NCc1nc(-c2ccccc2Cl)no1)C1CCN(Cc2ccccc2)CC1 67604573 ASNPJELJLHWSEC-UHFFFAOYSA-N 410.905 3.918 0 50 HHAA Brc1cc(I)cc(I)c1 75629371 WIKWRDOTWLACTF-UHFFFAOYSA-N 408.802 3.658 0 50 HHAA COc1ccc(C(C)=O)cc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 115116167 BVGMDGGEYSMACZ-UHFFFAOYSA-N 406.467 3.612 0 50 HHAA COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccc(F)cc3)C2)c1 170615614 INQUCXVNZJQNED-FQEVSTJZSA-N 414.433 3.776 0 50 HHAA O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 229971429 YZOYYNUALNCASF-JEDBISTDSA-N 417.347 3.555 0 50 HHAA Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)c2ccccc21 263588056 OOHURPRMEZSTJU-NTLWEQJWSA-N 423.557 3.943 0 50 HHAA O=C(NCc1ccc2c(c1)OCO2)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 390826876 CMDLPOPJXJYAMB-MXBUBSDBSA-N 409.530 3.520 0 50 HHAA biogenic O=C(NC[C@@]1(O)CCCc2ccccc21)c1c[nH]nc1-c1cccc(OC(F)F)c1 743345654 VFZUETJVPPEEGX-QFIPXVFZSA-N 413.424 3.632 0 50 HHAA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@H](c1ccccc1)N1Cc2ccccc2C1=O 888088832 SQXVFVPFHVOKLL-ZTCOLXNVSA-N 417.553 3.764 0 50 HHAA O=C(CCC(=O)N1CCC[C@H](C(=O)CCc2ccccc2)C1)Nc1cccc(F)c1 1506419109 XUQASRUAHQZDDG-IBGZPJMESA-N 410.489 3.985 0 50 HHAA Cn1nc2c(c1NC(=O)c1ccc(CN3CCc4ccccc4C3)cc1)CSC2 1529174435 RZHLXLKWPBHPFV-UHFFFAOYSA-N 404.539 3.978 0 50 HHAA COc1cc(C)ccc1CN1C[C@H]2CN(Cc3cccc(SC)c3)C[C@@]2(CO)C1 1772708565 IQOLTSAUJPBLNE-QPPBQGQZSA-N 412.599 3.652 0 50 HHAA O=C1NCCC[C@]12CN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC[C@H]2O 1857685130 CQJPEYUQFUMUNB-IFMALSPDSA-N 400.906 3.595 0 50 HHAA FC(F)(F)CN1CCCN(c2nc3ccccc3c(=NCc3ccccc3)[nH]2)CC1 2325866591 QOTCYMLXVCLGJH-UHFFFAOYSA-N 415.463 3.738 0 50 HHAA O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(C(=O)O)c1 799956 POJPHDRZUAGZKQ-CQSZACIVSA-N 410.373 3.845 0 50 HHAA Cc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)c(C)cc1Br 1064445 YFVNMSLLHPMFTF-UHFFFAOYSA-N 403.320 3.794 0 50 HHAA O=C(COc1ccc(C(=S)N2CCOCC2)cc1)Nc1ccccc1C(F)(F)F 1105940 ZWVSJWYLYPUGMS-UHFFFAOYSA-N 424.444 3.731 0 50 HHAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)c(OC)c1 1177401 COELZKRGDSOTOI-HXUWFJFHSA-N 411.527 3.752 0 50 HHAA Cc1c(N(C)C(=O)c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 1184263 MQSHDROUNKQEHZ-UHFFFAOYSA-N 400.276 3.524 0 50 HHAA O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc2c(c1)OCCO2 2874760 ULXFOFAKMKWVLB-UHFFFAOYSA-N 417.918 3.838 0 50 HHAA COC[C@H]1CCCN(C(=O)CC[C@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)C1 11783060 FDTLDHWSBDHXFM-CPJSRVTESA-N 408.542 3.696 0 50 HHAA C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCN(C4CCCC4)CC3)c2C1=O 12152145 FBVWBPWHHWZMMQ-HNNXBMFYSA-N 410.543 3.565 0 50 HHAA CC(C)CC[C@@]1(C2CCN(Cc3ccc(OC(C)C)cc3)CC2)NC(=O)NC1=O 12209583 FAFBKSGJHLLEPC-QHCPKHFHSA-N 401.551 3.700 0 50 HHAA O=C(N[C@H](c1ccccn1)C(F)(F)F)c1cc(COc2c(F)cccc2F)on1 12430941 RYZONVZBUICBQQ-MRXNPFEDSA-N 413.302 3.960 0 50 HHAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)[C@H]1CC12CCC2 12584953 IBXZYFDIFFYXCZ-RUZDIDTESA-N 423.645 3.836 0 50 HHAA Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1c(C(=O)O)cnn1C 20602650 VDWRNHMRRGXABF-UHFFFAOYSA-N 422.272 3.539 0 50 HHAA Cc1cc(C)n([C@H]2CCN(C(=O)c3coc(COc4cccc5cccnc45)n3)C2)n1 67673737 JROZHGJUPDJSSM-SFHVURJKSA-N 417.469 3.702 0 50 HHAA Cc1ccsc1C(=O)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777534 JWBNGAVHDFVQBZ-UHFFFAOYSA-N 420.498 3.842 0 50 HHAA CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cccc(NC(=O)NC(C)C)c1 225410862 FDIQWDRYOYWEMU-OAHLLOKOSA-N 406.527 3.592 0 50 HHAA NC(=O)c1ccc(OCCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 482041074 LJADIJNJVSPQCB-QHCPKHFHSA-N 400.478 3.729 0 50 HHAA O=C(CCS(=O)(=O)c1ccccc1)N1CCCC[C@@H]1CCc1cccc(O)c1 952965651 BACNXZZYTAPYMI-LJQANCHMSA-N 401.528 3.570 0 50 HHAA COc1cc2c(cc1-c1nccn1[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)OCO2 1857707934 AHLHFZXDNOSNIF-OAHLLOKOSA-N 411.845 3.919 0 50 HHAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857737670 YDDWBFDBRICZMG-CZUORRHYSA-N 403.832 3.686 0 50 HHAA COCCN(C(=O)[C@@H](O)[C@@H](C)NC1CCCC1)[C@H](C)c1cccc(C(F)(F)F)c1 1875316392 NJAQQVJQGCLBJS-CLCXKQKWSA-N 416.484 3.523 0 50 HHAA C[C@H](OC(=O)c1ccc(-c2ccccc2Br)n1C)[C@@H]1CCNC(=O)C1 2325826673 JEJPJIOIJHDZLQ-QWHCGFSZSA-N 405.292 3.526 0 50 HHAA O=C1c2ccccc2C(=O)N1C[C@@H]1c2ccccc2CCN1C(=O)C1CCCCC1 758719 JNQOJGREFSDASH-JOCHJYFZSA-N 402.494 3.989 0 50 HHAA CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1c(F)cccc1Cl 1077222 XBUQDAYYZATOFG-QGZVFWFLSA-N 409.870 3.548 0 50 HHAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3CS[C@H](c4cccs4)N3C2=S)cc1 4698470 YIPFYUIYAWXZNN-XJKSGUPXSA-N 404.538 3.673 0 50 HHAA CCN(CC)C[C@H](O)COc1ccc(CNCc2cccc(Cl)c2)cc1OC 11771520 LCJLWOSWJQKFON-FQEVSTJZSA-N 406.954 3.720 0 50 HHAA Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 11873386 KHUNRGJSTUWMTJ-HXUWFJFHSA-N 411.926 3.793 0 50 HHAA CSc1ncccc1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(C)o2)C1 12075077 NWKZZFDCFORIMZ-INIZCTEOSA-N 401.532 3.654 0 50 HHAA COc1ccc2c(c1)c(C(=O)N[C@@H]1CCCc3c1cnn3-c1ccccn1)c(C)n2C 12303471 KFXSGDSMFWQXEI-LJQANCHMSA-N 415.497 3.883 0 50 HHAA Cc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)Cc2cccc(F)c2)CC1 12373395 BBINSLSUZVNYQI-UHFFFAOYSA-N 420.488 3.989 0 50 HHAA CC(=O)c1ccc(OCC(=O)N(CCc2ccccc2)C[C@@H]2CCCN(C)C2)cc1 12711021 PWYHYTIAALABGN-JOCHJYFZSA-N 408.542 3.681 0 50 HHAA CCOC(=O)N1CCC(N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)CC1 15064593 QNIAAFPKSWOAQZ-SFHVURJKSA-N 419.541 3.555 0 50 HHAA COc1ccc([C@H](CC(=O)N2CCN(c3ccncc3)CC2)c2ccccc2)cc1 15065652 JEXNCZWKAMATON-XMMPIXPASA-N 401.510 3.961 0 50 HHAA COC[C@@H]1CCCCN1C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 15079639 VQICNZOXRVIVQO-QFIPXVFZSA-N 423.557 3.766 0 50 HHAA Cc1cccn2c(CN(C)C[C@@H]3Cc4ccccc4O3)c(C(=O)N3CCCCC3)nc12 19229182 MVTMEDJGGSLEJJ-FQEVSTJZSA-N 418.541 3.704 0 50 HHAA CC[C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2c(Br)cnn2CC)cc1 20608244 IEONWTLFVJYWFW-CYBMUJFWSA-N 414.369 4.000 0 50 HHAA CCCN1CCC(N2C[C@@H](NC3CCCCCCC3)C[C@H]2C(=O)NC(C)C)CC1 23358848 JEGMQVOITSSUHJ-GMAHTHKFSA-N 406.659 3.531 0 50 HHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1 23374862 YUOIRBBLTKYSQJ-QHCPKHFHSA-N 404.558 3.762 0 50 HHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(Cc3ccsc3)[C@H](CCO)C2)c1 43041578 NRXVZASICILMNS-OAQYLSRUSA-N 410.587 3.824 0 50 HHAA Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 55343478 YJGZFCIQIOUXSI-QFIPXVFZSA-N 407.558 3.577 0 50 HHAA Cc1ccc(CCNC(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)o1 91586948 HQJKJFYQHJQDBZ-UHFFFAOYSA-N 406.269 3.541 0 50 HHAA CN(C)c1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)C2)cc1 169753794 SLWWRUHRWRTUNO-SFHVURJKSA-N 409.921 3.805 0 50 HHAA O=C(c1cccc(Cl)c1)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169778042 UDEJNXSNSLHZTI-KRWDZBQOSA-N 420.860 3.736 0 50 HHAA COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CC[C@H](C)OC 225738041 APYUNYLPTMYAGA-FUHWJXTLSA-N 406.523 3.631 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 226838431 RDSZSZCWVRPPOI-OLKYXYMISA-N 408.457 3.819 0 50 HHAA COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(F)cc3F)N(C)C)no2)cc1 238900238 IDLFYXFOVJRYEZ-IBGZPJMESA-N 401.413 3.661 0 50 HHAA Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@H]5C4)c2)c1 239173642 OITVFZXFBDIOLE-YNUHATHGSA-N 404.466 3.692 0 50 HHAA Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)c1 239338964 LMMYRXURCHDBOR-YNUHATHGSA-N 404.466 3.692 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]2[C@@H]2C=Cc3cc(C)ccc3N21 248378488 JRJFEBNWTRACFP-NNXSRULWSA-N 400.478 3.591 0 50 HHAA C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(C(N)=O)c1 261456152 ZJMZEPWGAVIQMD-JLSDUUJJSA-N 423.488 3.647 0 50 HHAA Cn1cnc2cc(C(=O)NCC[C@@H](c3ccc(F)cc3)c3ccco3)ccc2c1=O 670472063 IJPUAXNXGCDBCO-SFHVURJKSA-N 405.429 3.618 0 50 HHAA C[C@@H](C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1cn(C)c2ccccc12 772838286 AEMNCMJBJOWZHN-BFUOFWGJSA-N 418.415 3.940 0 50 HHAA CCS(=O)(=O)c1ccc(CNc2nc(C)nc3c2cnn3-c2ccccc2)cc1 776816600 YUWCKICHRQGLHK-UHFFFAOYSA-N 407.499 3.530 0 50 HHAA Cc1cc(C(N)=O)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1 1776003557 XFOXXFSNYVVEQL-UHFFFAOYSA-N 401.879 3.903 0 50 HHAA COc1ccc(/C=C/C(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1F 1875260472 JCSOFGBNIIHHDV-XVNBXDOJSA-N 421.472 3.834 0 50 HHAA COc1ccccc1OCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2CCC(C)C 2356146821 WXKVHJZPZVXROW-DYXWJJEUSA-N 424.541 3.859 0 50 HHAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 627736 SZZBOLKXOKEKAN-UHFFFAOYSA-N 418.836 3.806 0 50 HHAA CCOC(=O)c1ccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CCOCC2)cc1 892566 DCGNQHRROODLQU-UHFFFAOYSA-N 413.470 3.567 0 50 HHAA biogenic Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 1147058 HUAFDHZWYKPLLO-UHFFFAOYSA-N 416.524 3.905 0 50 HHAA CCOc1ccccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O 1174224 CFMKCKFGLDNDAG-UHFFFAOYSA-N 416.421 3.509 0 50 HHAA CCN(CC)C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 1743933 RXLALFUZCDDYRY-JOCHJYFZSA-N 412.555 3.738 0 50 HHAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 2765923 RJTBEHDMKQEGKJ-SFTDATJTSA-N 401.466 3.823 0 50 HHAA CSc1ccccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 2884737 QFFVWPJUUHVLEW-UHFFFAOYSA-N 402.900 3.606 0 50 HHAA COc1ccc(OCCOCCOc2ccc(I)cc2)cc1 2983823 CHWFTFVOLOJOTA-UHFFFAOYSA-N 414.239 3.774 0 50 HHAA Cn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1ccccc1Cl 4682010 HZUYYCVLOFDJES-UHFFFAOYSA-N 402.863 3.565 0 50 HHAA CCN(CC)C(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl 5101438 RYWAMNJKWONDTN-GZTJUZNOSA-N 400.862 3.708 0 50 HHAA CN(C[C@H]1Cc2ccccc2O1)C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1 11709381 NDMLRRMRVIDAGZ-GOSISDBHSA-N 416.481 3.536 0 50 HHAA Cn1cc(CCC(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)cn1 11754074 WMUWCNCDXNUJNS-HXUWFJFHSA-N 401.510 3.726 0 50 HHAA Cc1ccsc1C(=O)NC[C@@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1 11964348 VOFIYPRIBGIGED-SFHVURJKSA-N 416.518 3.779 0 50 HHAA Cc1cnc(C)c(-c2cccc3c2O[C@@H](CNC(=O)c2ccc4nc(C)[nH]c4c2)C3)n1 12047979 TUTUVULXVMJIQY-GOSISDBHSA-N 413.481 3.679 0 50 HHAA O=C1C[C@H](c2ccc(OCc3ccccc3F)cc2)c2c(n3ccsc3nc2=O)N1 12375540 CYEIXONFWDLPBH-MRXNPFEDSA-N 421.453 3.948 0 50 HHAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 12432678 PMFDIEMSVICVHN-MRXNPFEDSA-N 408.951 3.539 0 50 HHAA COCCn1c(CN(C)[C@H](C)c2cccs2)cnc1S(=O)(=O)CC(C)(C)C 15063147 MVLODLDPPBWYIM-OAHLLOKOSA-N 413.609 3.604 0 50 HHAA CCOc1ccccc1C(=O)N1C[C@@H](C)N(C(=O)c2ccccc2OCC)C[C@@H]1C 16226137 AUDQJKYQQYNZFO-HDICACEKSA-N 410.514 3.859 0 50 HHAA O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)Nc1nccs1 16382144 GINKLJVFQBQPMR-UHFFFAOYSA-N 422.535 3.827 0 50 HHAA CN(C)CCCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 19808896 LXTOBPMIIKMKLX-UHFFFAOYSA-N 409.574 3.546 0 50 HHAA CCOc1ccc(CN2CCN(C/C=C/c3ccccc3OC)C[C@@H]2CCO)cc1 20201564 LNDUVYGXYZIAIR-DRGXBFSJSA-N 410.558 3.676 0 50 HHAA O=C(c1ccccc1N1CCCC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 95386901 KLVKTDQEUOXEKT-ICDZXHCJSA-N 401.554 3.989 0 50 HHAA Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnc(-c4cccnc4)o3)c2C)cc1 139147860 WKCCIDDKBTUHTF-UHFFFAOYSA-N 420.498 3.973 0 50 HHAA Cc1cc(C)n(-c2cncc(N[C@@H](c3ccc(Br)cc3)[C@H](C)CO)n2)n1 225606476 ZGIJNPODXVHUCP-CWTRNNRKSA-N 416.323 3.823 0 50 HHAA CC(C)(C)OC(=O)N1CCN(Cc2noc(C(C)(C)C)n2)[C@H](c2cccnc2)C1 225726876 DNODXIJPHCDZCQ-INIZCTEOSA-N 401.511 3.556 0 50 HHAA Cc1ccc(C2(CNC(=O)NC3CCN(C(=O)c4ccoc4)CC3)CCC2)cc1C 433989451 YDJINFRQFCPLOL-UHFFFAOYSA-N 409.530 3.922 0 50 HHAA Cc1ccc(-c2cc(C(=O)NCCc3nc(O)c4c(C)c(C)sc4n3)n[nH]2)cc1 670464053 OEMOXMROLWCDLR-UHFFFAOYSA-N 407.499 3.685 0 50 HHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC2(CCC(=O)N(C)CC2)CC1 952986138 DUSMLCBTEPNINH-UHFFFAOYSA-N 405.926 3.553 0 50 HHAA CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 1440715582 VNMBNIYQVCUMLT-QHCPKHFHSA-N 416.525 3.585 0 50 HHAA COCCC(=O)N1C[C@@H]2CN(CCSC(C)C)C[C@]2(CCc2ccccc2)C1 1772710891 UBVDRLIXYJJMBR-JTHBVZDNSA-N 404.620 3.558 0 50 HHAA NC(=O)[C@H]1c2ccccc2CCN1C(=O)C1CC(c2ccc(C(F)(F)F)cc2)C1 1875253580 IPSHSTZTXSBYGD-LADRWXRNSA-N 402.416 3.810 0 50 HHAA CNC(=O)Nc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)ccc1F 2325878144 GJAMOOIPAVHSSG-INIZCTEOSA-N 420.444 3.736 0 50 HHAA Cc1ccc(C(=O)Nc2c(C(=O)N3C[C@H](C)O[C@@H](C)C3)cnn2-c2ccccc2)cc1 751904 HJPKZEVFFLHINQ-ROUUACIJSA-N 418.497 3.682 0 50 HHAA Brc1cnn(Cc2cccc(-c3nc4c5ccccc5ncn4n3)c2)c1 2806759 JGGJVCSBTWZNJI-UHFFFAOYSA-N 405.259 3.952 0 50 HHAA Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccco4)s3)CC2=O)cc1Cl 8673382 LLMHZLPYPMKXDZ-LLVKDONJSA-N 402.863 3.866 0 50 HHAA CCC(=O)N[C@H](NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl 8692069 FLLFQWCIOCBSOS-CYBMUJFWSA-N 405.738 3.744 0 50 HHAA Cc1nc(CC(=O)N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3)C2)cs1 11708393 CZNUMMIWCRVWRT-NRFANRHFSA-N 405.514 3.787 0 50 HHAA COc1cccc(CNCC[C@H]2CCC(=O)N2Cc2ccc(-n3cccn3)cc2)c1 11784293 RTLVOUNNBKKESA-OAQYLSRUSA-N 404.514 3.552 0 50 HHAA CC(=O)Nc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)N2CCc3ccccc3C2)cc1 11882076 AKSDHXJYCWDFRP-XMMPIXPASA-N 417.553 3.832 0 50 HHAA Cc1noc(C)c1-c1cc(C(=O)NCCc2cccc(Cl)c2)cc(-n2cnnn2)c1 11910858 CVROWTLWLADRKE-UHFFFAOYSA-N 422.876 3.560 0 50 HHAA CCN(C[C@@H]1CCCO1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12317975 XHHVFPIFKNSBSN-DEOSSOPVSA-N 423.557 3.766 0 50 HHAA O=S(=O)(c1ccccc1Cl)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 12440782 BNCDHYUJLINDTD-IBGZPJMESA-N 414.354 3.999 0 50 HHAA Cc1ccccc1CNC(=O)c1cn(C2CCCC2)cc(C(=O)N(C)CC(C)C)c1=O 14962264 YWHXGDJQCCNAOF-UHFFFAOYSA-N 423.557 3.930 0 50 HHAA COCc1ccc(C(=O)N[C@H](C)c2nnc(SCc3ccccc3C)n2C)o1 15068784 SYYNYAVEOSPMJY-CQSZACIVSA-N 400.504 3.646 0 50 HHAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N(C)Cc1cnn(C)c1 17082028 FBDGYBFAFLUVBA-UHFFFAOYSA-N 400.529 3.764 0 50 HHAA CNC(=O)[C@@H]1C[C@H](NCC2=CC[C@H]3C[C@@H]2C3(C)C)CN1Cc1ccc(Cl)cc1 19839388 NXUVTLKPOLOEOC-VMXMFDLUSA-N 401.982 3.611 0 50 HHAA O=C(COc1ccc(Br)cc1)N1CCN(CCCc2ccccc2)CC1 19889320 ODOAUYHUPHXSPM-UHFFFAOYSA-N 417.347 3.605 0 50 HHAA CN(C(=O)c1cc(=O)[nH]c2ccccc12)[C@@H]1CCCN(CCCc2ccccc2)C1 39479095 CMSJZCMXSZDGJF-HXUWFJFHSA-N 403.526 3.697 0 50 HHAA COc1ccc(Cn2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 40391878 FPSCKLJJMRNRNK-UHFFFAOYSA-N 415.428 3.611 0 50 HHAA Cc1ccc2c(C(=O)N(Cc3nccn3C)C(C)C)cc(-c3cnn(C)c3)nc2c1 63833982 KSEGQXZDHXMSER-UHFFFAOYSA-N 402.502 3.728 0 50 HHAA CCc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCCC3)nn2)cc1 65362015 LNOJBXXOWSMBEL-LJQANCHMSA-N 416.529 3.998 0 50 HHAA O=C(c1nc2ccc(Cl)cn2c1CN1CCCOCC1)N1CCCCCCC1 71749265 CXEBMOWOTVAYHI-UHFFFAOYSA-N 404.942 3.616 0 50 HHAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2cccc(Cl)c2C)n1 72115501 HFWKIUUOVIUEML-UHFFFAOYSA-N 402.930 3.971 0 50 HHAA COc1ccc(-c2noc(CC3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n2)cc1 169754743 WICRCMVZDIATEY-UHFFFAOYSA-N 421.453 3.569 0 50 HHAA COc1ccccc1Cc1nc(-c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)no1 169769211 PFDMFXHMQUYVDU-SFHVURJKSA-N 423.860 3.852 0 50 HHAA O=C(OCc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C[C@@]23C=C[C@H]1O3 226889244 RUESWPWEMQHVKE-YXTQBTIXSA-N 413.832 3.509 0 50 HHAA Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1ccc2c(cnn2C(C)C)c1 489731496 BFTPCWJLLJYBFS-UHFFFAOYSA-N 412.515 3.619 0 50 HHAA Cc1ccc(-c2cccc(CNC(=O)c3cc(C)c4c(O)nc(O)nc4n3)c2)cc1 1446144006 WSOYNFYKGYWYMQ-UHFFFAOYSA-N 400.438 3.650 0 50 HHAA O=C(O)[C@@]1(Cc2ccccc2)CN(Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1O 1704332020 WGRAQSYURCNJII-ICSRJNTNSA-N 411.395 3.725 0 50 HHAA O=C(NC[C@@H]1CC[C@@H](O)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 1875328600 ASKQRMNWMIOOLZ-JYCPNYGHSA-N 420.553 3.890 0 50 HHAA CCCC(=O)N1CCCN(c2nc3ccccc3c(=NCc3ccccc3)[nH]2)CC1 2325866586 QJPJMXVUWYNTLM-UHFFFAOYSA-N 403.530 3.503 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3n[nH]c4ccccc34)C2)c2cccc(=O)n21 2356143438 HVVDHMZAHMENMF-WWMYMODYSA-N 404.514 3.961 0 50 HHAA O=C(NCCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 834583 NXAFSAKGPPKSJW-CQSZACIVSA-N 421.722 3.814 0 50 HHAA COc1ccccc1C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 1146679 HGNPHNYYJCJOGY-CQSZACIVSA-N 414.527 3.797 0 50 HHAA CCOC(=O)c1sc2ncn3nc(COc4ccc(F)cc4F)nc3c2c1C 2790910 AXIAXWZPWWLPHM-UHFFFAOYSA-N 404.398 3.681 0 50 HHAA COCCCNC(=O)c1c(NC(=O)COc2ccccc2F)sc2c1CCCC2 2828896 AMUWGVPPESIRIV-UHFFFAOYSA-N 420.506 3.550 0 50 HHAA COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2c[nH]cn2)c1OC 11663333 GCJZBAFRGWCNCL-OAQYLSRUSA-N 402.454 3.696 0 50 HHAA COc1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cc(OC)c1OC 11717939 QOSZIUVHLPOTET-GOSISDBHSA-N 416.493 3.588 0 50 HHAA Cc1nnc(SCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)s1 11719248 BEKOHJYJOYTDKS-INIZCTEOSA-N 413.572 3.954 0 50 HHAA COc1cc(C)ccc1OCc1nc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)co1 11843349 KOGFAQDQVGYEIS-KRWDZBQOSA-N 408.454 3.646 0 50 HHAA O=C(Nc1ccnn1C1CCN(C[C@@H]2CC=CCC2)CC1)c1ccc2c(c1)OCO2 11934820 PBUOGKUWSXQAKN-QGZVFWFLSA-N 408.502 3.857 0 50 HHAA O=C(NC[C@H]1CCC2(CCN(Cc3ccccn3)CC2)O1)c1ccc2cc[nH]c2c1 11973530 SRRFOSLDBCTSQK-OAQYLSRUSA-N 404.514 3.507 0 50 HHAA CC(=O)N1CCCN(C(=O)C[C@H](c2cccc(O)c2)c2cccc(Cl)c2)CC1 12073640 JXYPKRFQYFNZDH-NRFANRHFSA-N 400.906 3.648 0 50 HHAA COc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)cc1F 12228083 WODNBKZHSPRBNN-INIZCTEOSA-N 401.434 3.587 0 50 HHAA COc1ccc2c(c1)c(C(=O)N1CCC(c3nnc4ccccn34)CC1)c(C)n2C 12324233 JEDLNOIYUWCINA-UHFFFAOYSA-N 403.486 3.558 0 50 HHAA O=C(CCc1ccccc1)Nc1ccc(N2CCC(NC[C@@H]3CCCO3)CC2)cc1 12573211 HAMAQUVOWFQXOQ-DEOSSOPVSA-N 407.558 3.995 0 50 HHAA COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CCN(CC=C(C)C)CC3)cc1 14530447 SXFYKFVDLFXCGF-UHFFFAOYSA-N 413.562 3.711 0 50 HHAA CCS(=O)(=O)NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1 14994535 DWMSHRFXRLQDPD-UHFFFAOYSA-N 424.448 3.700 0 50 HHAA CCC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3)n2)ccc1C 16625618 AEGCRMKWXXTCEU-INIZCTEOSA-N 404.470 3.767 0 50 HHAA CCn1ncc(CN2CCN(C(=S)Nc3ccccc3C(F)(F)F)CC2)c1C 20214028 VPOPVBSUMDXZHZ-UHFFFAOYSA-N 411.497 3.745 0 50 HHAA CCc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 21795178 IAKKFXUIQNFSIV-UHFFFAOYSA-N 408.550 3.692 0 50 HHAA c1ccc(N2CCN([C@H]3CCCN(Cc4cccc(-n5cccn5)c4)C3)CC2)cc1 55307914 CWZXMHRGETYTKU-VWLOTQADSA-N 401.558 3.659 0 50 HHAA CC(C)=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NCC3CC3)nc2c1=O 72480137 WSFGQNBPBLEIIC-UHFFFAOYSA-N 410.905 3.922 0 50 HHAA Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)CC1 97468993 AFJONKXKVPKHIE-HSZRJFAPSA-N 415.585 3.967 0 50 HHAA CCOc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3ccc(F)cc3)C2=O)cc1 101160227 RBXSXSHEJORWED-GOSISDBHSA-N 416.474 3.618 0 50 HHAA Cc1cccc([C@@H]2NC(=O)N(CC(=O)N[C@H](c3cccs3)C(C)(C)C)C2=O)c1C 170613142 KPKZYJAJIRIPOP-RBUKOAKNSA-N 413.543 3.861 0 50 HHAA COc1ccccc1-c1noc(-c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)n1 263618052 QZZQZDNZWPZKBZ-FQEVSTJZSA-N 418.409 3.609 0 50 HHAA CCc1ccc(CN2CCc3c(C(=O)N(C)Cc4c[nH]nc4C)csc3C2)nc1 426420004 MGTWWNVSKUYXMD-UHFFFAOYSA-N 409.559 3.568 0 50 HHAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cccc3ccc(C)nc13)CC2 431994600 WMCDYTRXXWWDBB-LJQANCHMSA-N 420.465 3.775 0 50 HHAA COCCn1c(NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)nc2ccccc21 464342593 NBFCDVOZQXIGBL-DEOSSOPVSA-N 420.513 3.564 0 50 HHAA CC(C)(C)c1nnc2ccc(C(=O)N3CCC(c4ncc5n4CCCC5)CC3)cn12 468807709 BZUBYWIRCAQABZ-UHFFFAOYSA-N 406.534 3.579 0 50 HHAA COc1nc2c(cc1C(=O)Nc1ccc3c(c1)C[C@H](C)O3)C(=O)N(C1CCCC1)C2 824845447 OEJHAJWRGDGVHL-ZDUSSCGKSA-N 407.470 3.564 0 50 HHAA N[C@H]1CC[C@@H](CCNC(=O)N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)C1 952894016 PDJYDZDHUDBAMU-JXFKEZNVSA-N 411.525 3.689 0 50 HHAA Cc1ccc(N2C[C@H]3CN(Cc4nccs4)C[C@@]3(CCc3ccccc3)C2)nn1 1772816855 VMYLHTAKNZBFMX-OFNKIYASSA-N 405.571 3.813 0 50 HHAA O=C(c1ccccc1)N1C[C@@H]2CCN(c3nc(C(F)(F)F)nc4ccccc34)[C@H]2C1 1775988545 VACPOPZJJYXXTP-YJBOKZPZSA-N 412.415 4.000 0 50 HHAA C[C@@]1(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC12CCNCC2 1857690527 METPNNYJFAMMDI-VWLOTQADSA-N 403.570 3.700 0 50 HHAA C[C@@]1(c2ccccc2)CN(C(=O)c2ccc(NC(=O)c3ccncc3)cc2)CCO1 1875261573 UEMHLGUEVFGCNN-DEOSSOPVSA-N 401.466 3.722 0 50 HHAA Cc1cc(Cl)c(C)c(S(=O)(=O)NC2CCC(N3CCCC3=O)CC2)c1Cl 1875354963 VWUOLILHONQIKT-UHFFFAOYSA-N 419.374 3.822 0 50 HHAA O=C(c1cn(CCc2ccccc2)nn1)N1CCc2ccccc2[C@H]1C(F)(F)F 2325827250 ABVCCJLHCXJBMO-IBGZPJMESA-N 400.404 3.823 0 50 HHAA CCOC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 636129 HVUBGUWPVAGHIX-UHFFFAOYSA-N 420.469 3.603 0 50 HHAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)nc(C)n1 1088115 FNVFSMBZIPQTMP-PMACEKPBSA-N 422.510 3.636 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 1110006 JXDZFBZUFDLMHA-UHFFFAOYSA-N 424.950 3.854 0 50 HHAA CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 1438114 SLNOARDVTWNEAF-INIZCTEOSA-N 402.516 3.901 0 50 HHAA COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 5013827 QBNZBMVRFYREHK-QFIPXVFZSA-N 407.495 3.698 0 50 HHAA in-vitro CC1=NN(C(=O)c2ccn(COc3ccc(C(C)C)cc3)n2)[C@](O)(C(F)(F)F)C1 6394527 STDSKUWVDVEZOY-GOSISDBHSA-N 410.396 3.516 0 50 HHAA CN(Cc1ccco1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11937378 ZNJKOIIJTGPTHS-UHFFFAOYSA-N 405.498 3.990 0 50 HHAA Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)cc2)n1 12073185 AUGOSPYKDZQRCS-NRFANRHFSA-N 406.530 3.856 0 50 HHAA CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](CNC2CCN(C(C)C)CC2)C[C@@]1(C)CO 12467345 ZPLXTCVQMDNBPM-OIBXWCBGSA-N 408.030 3.936 0 50 HHAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(C)s1)CC2 14749742 ZLFOZRKQWMLELS-UHFFFAOYSA-N 423.582 3.843 0 50 HHAA O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 15859890 AGDZVTALUXFZGO-MRXNPFEDSA-N 400.862 3.996 0 50 HHAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3cn(CC(N)=O)c4ccccc34)C2)cc1 19147131 DDXUCNKGWNDEKK-SFHVURJKSA-N 421.566 3.943 0 50 HHAA Cc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 20599109 OFRZCWUFJFPXLL-HXUWFJFHSA-N 421.545 3.755 0 50 HHAA CCn1c(S)nnc1C1CCN(C(=O)Nc2cccc(COCC3CC3)c2)CC1 170600053 BJHMYBHGIKPZRF-UHFFFAOYSA-N 415.563 3.925 0 50 HHAA Ic1cnc(CN2CCO[C@H](CCc3ccccc3)C2)s1 241157232 JVXSLSMGMOCDJK-CQSZACIVSA-N 414.312 3.581 0 50 HHAA Cc1cc(NC(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1Br 253415744 RMAZQVBCSWZSOJ-UYAOXDASSA-N 402.336 3.731 0 50 HHAA CC(C)[C@H](Oc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N(C)C 253418907 DOFKPEUBFWESRR-IBGZPJMESA-N 424.950 3.657 0 50 HHAA Cc1nc2n(n1)CCN(C(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl)C2 439330028 VXVSYYHMEWNAGV-IBGZPJMESA-N 417.847 3.833 0 50 HHAA C[C@H](C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)c1ccc(Cl)c(Cl)c1 471897462 IDLDTACCCRXCTF-ZDUSSCGKSA-N 406.313 3.545 0 50 HHAA Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 476240281 DZXREGVJWYTTDF-IBGZPJMESA-N 421.522 3.968 0 50 HHAA COC(=O)N(C)Cc1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)cc1 770738203 HDLZHPCWOJLFCD-UHFFFAOYSA-N 408.458 3.640 0 50 HHAA Cc1ccc(S(=O)(=O)C2CCN(C(=O)[C@@H](C)CSC(F)(F)F)CC2)cc1 1303301518 YXXMOPJDOYOUAQ-ZDUSSCGKSA-N 409.495 3.649 0 50 HHAA C[C@H](NC(=O)[C@@H]1CNC(=O)c2ccccc21)c1cccc(OCc2ccccc2)c1 1459800463 DDIGERLDGRUGJE-GAJHUEQPSA-N 400.478 3.970 0 50 HHAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3nc(-c4ccccc4)oc3C)C1)CC2 1704344705 WNEZTLGPVRDWAX-DEOSSOPVSA-N 402.498 3.798 0 50 HHAA O=C(O)[C@]1(F)CN(c2ncnc3[nH]c4cc(Br)ccc4c23)CC12CCC2 2325844807 RIJVOOFUJLZCSA-GOSISDBHSA-N 419.254 3.657 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4cncc(C)c4)C3)[C@@H]3CCCCN23)c1 2356145047 YHUDRZCEJMDIJH-NJRQHTIISA-N 419.569 3.956 0 50 HHAA Cn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccncc1 886450 LOCRMSDRJUUQGA-UHFFFAOYSA-N 408.512 3.731 0 50 HHAA Cc1ccccc1OCc1nnc(SCC(=O)N2CCCC2)n1Cc1ccccc1 903561 ZMWSXGNDSWRJMU-UHFFFAOYSA-N 422.554 3.928 0 50 HHAA Cc1nn([C@@H](C)c2nnc(S)n2-c2cnn(Cc3ccccc3)c2)c(C)c1Cl 2808245 QHJBXQHQDWYDJB-AWEZNQCLSA-N 413.938 3.877 0 50 HHAA CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 3017680 UZGSSUYDCMAERB-UHFFFAOYSA-N 417.314 3.698 0 50 HHAA COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 4855510 ZOLBRCNSANUNFS-GOSISDBHSA-N 416.543 3.660 0 50 HHAA O=C(CCSCCC(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1 6341704 GUWQTWYSTDYOSD-UHFFFAOYSA-N 408.567 3.670 0 50 HHAA Cc1ncoc1C(=O)N(CCN1CCCCC1)C[C@H]1CCCN(C2CCCC2)C1 12002629 FOHCVDDJOSPNHB-FQEVSTJZSA-N 402.583 3.566 0 50 HHAA CN(Cc1ccc(OCCO)cc1)CC1CCN(CCc2cccc(F)c2)CC1 12298812 ZTIZTEFORDRNPZ-UHFFFAOYSA-N 400.538 3.583 0 50 HHAA COc1ccc(CNCCCSC)cc1OC[C@@H](O)CN1CCCCCCC1 12301859 JMRCPKRXVRXREH-FQEVSTJZSA-N 410.624 3.544 0 50 HHAA COc1ccc(CNCCCC2CCCC2)cc1OC[C@@H](O)CN1CCCCC1 12432016 QUKQTYQBXIPUQW-QFIPXVFZSA-N 404.595 3.981 0 50 HHAA CN1CCC(N2C[C@@H]3C[C@@H](c4ccc(-c5ccco5)cc4)N4CCC[C@@]34C2=O)CC1 12747174 AWADSBHJWVLQBL-XTJBDQBJSA-N 405.542 3.779 0 50 HHAA COC[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 15079642 VQICNZOXRVIVQO-JOCHJYFZSA-N 423.557 3.766 0 50 HHAA Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)c4cccc(F)c4)CC3)CC2)c1C 16647624 OIWNNGCHQNDBDV-UHFFFAOYSA-N 423.532 3.644 0 50 HHAA Cc1nc(NCc2ccc(F)c(F)c2)sc1-c1ccn(CCN2CCOCC2)n1 19837554 CQEXOQQSMDCPFZ-UHFFFAOYSA-N 419.501 3.538 0 50 HHAA CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Br)c2)NC(=O)N1 38144627 MYNMNSGETXGELN-KRWDZBQOSA-N 401.260 3.820 0 50 HHAA CCCc1noc(-c2cn(C3CCN(C(=O)c4cc(Cl)ccc4F)CC3)nn2)n1 169777386 NBPUZDUPGQVXEM-UHFFFAOYSA-N 418.860 3.550 0 50 HHAA O=C(C1CCCCC1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777527 LTLOXDQILXRPQT-UHFFFAOYSA-N 406.490 3.739 0 50 HHAA Cc1nc(-c2ccccc2)n(Cc2nc(-c3ccccc3)oc2C)c(=O)c1CCO 169781079 CWRHUWOCTGKCTL-UHFFFAOYSA-N 401.466 3.765 0 50 HHAA O=C(Nc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)CC1 239159678 MOZWIIKZGVFYHI-QTOLMLJGSA-N 424.928 3.890 0 50 HHAA CCOc1cccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)c1 263615975 GILZHKROOBMEPM-LJQANCHMSA-N 412.877 3.532 0 50 HHAA COc1ccc2cc(CNCCc3ccc(F)cc3)c(N3CCC[C@@H](CO)C3)nc2c1 299796125 NKTAIXLYAMSGHJ-LJQANCHMSA-N 423.532 3.924 0 50 HHAA O=C(NC[C@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1)c1ccc2c(c1)OCO2 828171208 YGPMVKLJGOZMNQ-OAHLLOKOSA-N 404.869 3.850 0 50 HHAA COC(=O)Cc1cc(OC)ccc1S(=O)(=O)N(C)[C@@H](C)c1cc2ccccc2o1 1474817284 KYURLLLWIADEBL-AWEZNQCLSA-N 417.483 3.539 0 50 HHAA CCC[C@@H](CO)N1CCN([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 1875254085 XTFIWXMSZUQSCA-FPOVZHCZSA-N 411.546 3.585 0 50 HHAA O=C(c1onc2ncccc12)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356138674 PAOWVPHILJDWQJ-XMMPIXPASA-N 411.465 3.800 0 50 HHAA CSc1nnc2c(n1)O[C@H](c1ccncc1)Nc1ccc(Br)cc1-2 683666 GMENRRQUQSJVCH-CQSZACIVSA-N 402.277 3.921 0 50 HHAA O=C(Nc1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1074970 BYBRSTOTGNLPBH-UHFFFAOYSA-N 423.332 3.876 0 50 HHAA O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2cccc(Br)c2)c1 1134294 CVFRTDLZCASWMW-UHFFFAOYSA-N 413.680 3.928 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(F)c1 2843012 ODFRBITUQQISKY-UHFFFAOYSA-N 424.803 3.903 0 50 HHAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 2876413 WCJUFRDLHRYUTQ-INIZCTEOSA-N 402.516 3.704 0 50 HHAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cc(OC)c(OC)cc1OC 4626587 YCBVBQSFBFHCBP-OAQYLSRUSA-N 423.469 3.914 0 50 HHAA CCOc1cc(CNc2nn[nH]n2)cc(Br)c1OCc1ccccc1 4943032 XKZGAKVVBOHQLU-UHFFFAOYSA-N 404.268 3.552 0 50 HHAA Cc1n[nH]c(C)c1[C@@H](C)N(C)Cc1cnc(S(=O)(=O)C(C)C)n1CCC(C)C 11664816 DOUYMZGWRRJCEX-QGZVFWFLSA-N 409.600 3.644 0 50 HHAA C/C=C(\C)C(=O)N1CCC([C@@]2(CCC)NC(=O)N(CCc3cccs3)C2=O)CC1 11872861 AWLIOOHNTYXGFP-AHPDCTIBSA-N 417.575 3.586 0 50 HHAA COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1OC 12073538 IWRFYUDAOAOWFC-HXUWFJFHSA-N 421.541 3.964 0 50 HHAA COCCN(Cc1cccc2c1OCO2)CC1CCN(Cc2ccccc2F)CC1 12701463 VUKRSZQSAQLSCY-UHFFFAOYSA-N 414.521 3.915 0 50 HHAA CC(C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2Cc1ccccc1 14748153 MRMACFBVXZTPQX-UHFFFAOYSA-N 420.557 3.722 0 50 HHAA COc1cccc(CNc2ncnc3sc(C(=O)NCC4CC4)c(C)c23)c1OC 14980400 FJWVMSQCZJVSCH-UHFFFAOYSA-N 412.515 3.769 0 50 HHAA CCCCC(n1nnc2ccccc21)(n1nnc2ccccc21)n1nnc2ccccc21 15771222 AXQDSQVZQNPHEE-UHFFFAOYSA-N 423.484 3.818 0 50 HHAA Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1F)C2 18223042 GVFONCALCWAOSM-KRWDZBQOSA-N 417.488 3.558 0 50 HHAA O=c1c2cc(Cl)cc(Cl)c2nc(CN2CCOCC2)n1-c1ccccc1F 20351512 MQXYOHZOSGATAO-UHFFFAOYSA-N 408.260 3.664 0 50 HHAA CC(=O)Nc1ccc(NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)cc1 20602111 ROIZGOCKUXFIMY-QGZVFWFLSA-N 402.248 3.539 0 50 HHAA Cc1ccccc1CN1CCN(C(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)CC1 20616644 QCQLFHHFGZETQJ-UHFFFAOYSA-N 422.476 3.920 0 50 HHAA COc1cccc(CN2C[C@@H](c3nc(-c4ccc5nc[nH]c5c4)no3)CCC2=O)c1 91649779 ITLUQZWLORMSLQ-INIZCTEOSA-N 403.442 3.528 0 50 HHAA COc1cccc(C(=O)COc2cccc(N3C(=O)[C@H]4[C@H]5C=C(C)[C@@H](C5)[C@H]4C3=O)c2)c1 101881820 FLWLHMPISASJLV-HZUHNNHMSA-N 417.461 3.659 0 50 HHAA Cc1c(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)oc2ccc(Cl)cc12 170599017 PTRZPMZWLCHOIA-AWEZNQCLSA-N 408.882 3.760 0 50 HHAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc2c(c1)oc1ccccc12 239173763 OPVIIPNZEKVHJG-BJFYZAGBSA-N 412.445 3.578 0 50 HHAA CC(C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccccc2n1C(C)C 252482663 DLUHWLTZGMSAEP-JOCHJYFZSA-N 417.513 3.841 0 50 HHAA CC(C)c1c(NC(=O)N2CCS(=O)(=O)C[C@H](C)C2)cnn1-c1ccc(Cl)cc1 433105717 REWNVFWUTOCHNA-CQSZACIVSA-N 424.954 3.548 0 50 HHAA O=C(CCc1nc2ccc(F)cc2[nH]1)N1CCC(N2CCc3ccccc3C2)CC1 1506397514 VYKWAHKLBBSIEF-UHFFFAOYSA-N 406.505 3.684 0 50 HHAA Cc1ccc(N2CCC(NC34C[C@@H]5C[C@H](C3)CC(n3nnc(C)n3)(C5)C4)CC2)cc1 1506422256 POHFIFDGKZTFMC-TUUBTQOTSA-N 406.578 3.596 0 50 HHAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)O1 1857708129 GQSXSYRGNPDJRQ-NVXWUHKLSA-N 401.425 3.756 0 50 HHAA O=C(O)[C@H](C[C@@H]1CCSC1)NCc1c(Br)cccc1OC(F)F 2325852694 OLIXANLITJRGIK-CABZTGNLSA-N 410.280 3.737 0 50 HHAA CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)N3CCOCC3)cc12 795641 WDTDYVYQOVKYJI-UHFFFAOYSA-N 412.236 3.511 0 50 HHAA biogenic COc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2OC)cc(C(=O)O)c1 1075162 BIQJZLNDWWJJIP-UHFFFAOYSA-N 420.421 3.907 0 50 HHAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 5091467 HOMAZFZOKVXGJL-INIZCTEOSA-N 420.962 3.876 0 50 HHAA CCc1cc(CNC(=O)c2ccc3nc(Cc4ccc(OC)c(OC)c4)oc3c2)on1 12029497 XUQVUFKZFCKHER-UHFFFAOYSA-N 421.453 3.916 0 50 HHAA O=C(NC[C@H]1CC(Cc2cccc(F)c2)=NO1)c1csc(Cc2ccccc2)n1 12050366 GPWPADBFZLZZDV-LJQANCHMSA-N 409.486 3.990 0 50 HHAA O=S(=O)(c1ccsc1)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 12075424 ISXFHBJWNRJQPZ-UHFFFAOYSA-N 419.490 3.773 0 50 HHAA Cc1ccn2c(CN[C@@H](C)c3cn(C)nc3C)c(C(=O)N3CCCCCC3)nc2c1 12316341 VGONXDGCNFVQQS-KRWDZBQOSA-N 408.550 3.552 0 50 HHAA Cc1cc(C)c(C(=O)N2CC[C@]3(CCCN(CCCc4ccccc4)C3)C2)c(=O)[nH]1 12712675 ZBCUHANVBOGLOF-VWLOTQADSA-N 407.558 3.553 0 50 HHAA Cc1ccc(CN2CCC(c3nnc(SCCN4CCCCC4)n3C)CC2)o1 14982026 QAQMIFURQZXYPU-UHFFFAOYSA-N 403.596 3.674 0 50 HHAA O=C(NCc1cccnc1)c1cccc(OC2CCN(Cc3nccs3)CC2)c1 19939956 VWYQTUQPOXENSO-UHFFFAOYSA-N 408.527 3.512 0 50 HHAA OCC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CCN1CCc1ccccc1 22932730 HWASPSPGVHLQBT-QFIPXVFZSA-N 407.583 3.921 0 50 HHAA COc1cc(F)ccc1CN1CCC[C@H](N(C)CCc2ccc(OC)c(OC)c2)C1 23375310 MXZHMJXBRQHIJN-NRFANRHFSA-N 416.537 3.990 0 50 HHAA C[C@@H]1CN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)CCN1C 23375473 YWMVMYBOCBTWHG-QGZVFWFLSA-N 417.985 3.530 0 50 HHAA COc1ccc(OCC(=O)Nc2ccccc2C(=O)n2cnc3ccccc32)cc1 55282744 XTGPBVCJCPUEGP-UHFFFAOYSA-N 401.422 3.751 0 50 HHAA Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 148996341 WIYUZYBFCWCCQJ-ZDULRJDPSA-N 414.505 3.573 0 50 HHAA in-vitro Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NC1CCN(CC(F)F)CC1 170595706 OHFGFMRQBARVCN-UHFFFAOYSA-N 408.923 3.871 0 50 HHAA COc1ccc(N2C(=O)C[C@H](N3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 229482973 CIUAZHNDAIVYBK-BEFAXECRSA-N 421.522 3.816 0 50 HHAA NC(=O)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)nc1Cl 242273561 YDVKTSCXTDGHJP-UHFFFAOYSA-N 408.163 3.681 0 50 HHAA COC(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)cc3)no2)c1 263618715 VDTQUAJCRZYRSX-GOSISDBHSA-N 407.426 3.509 0 50 HHAA Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC(CN(C)C)C3)c12 1298091889 GOZOEBGLFIINHE-UHFFFAOYSA-N 418.419 3.851 0 50 HHAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(Cc3cc(CN4CCCC4)cs3)C1)CC2 1704311998 JASUOFVYBJRTNM-QHCPKHFHSA-N 411.619 3.680 0 50 HHAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3csc(Cc4ccccc4)n3)CC2)O1 1857699422 UBKMHLBEKUMDQP-UYAOXDASSA-N 414.571 3.905 0 50 HHAA CCCOc1cccc(CNC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)c1 1857739325 OGINGCDOTYIELZ-GOSISDBHSA-N 408.502 3.935 0 50 HHAA CC1=C(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)Cc2ccccc2O1 1875260649 VTXZJAKIINNZMV-NRFANRHFSA-N 412.917 3.739 0 50 HHAA Cn1cc(C2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2cn(CC(F)(F)F)nc2C2CC2)cn1 1875329840 GAUKPZPIMAVCTL-VHRNVKJDSA-N 422.455 3.999 0 50 HHAA O=C(NS(=O)(=O)c1c[nH]c2cccc(F)c12)c1ccc(Oc2ccccc2)cn1 1875343723 SEPMVUTZIIAUME-UHFFFAOYSA-N 411.414 3.613 0 50 HHAA C=CC(=O)N1CCCc2cc(C(=O)N[C@H]3CCCCN(Cc4ccccc4)C3)ccc21 1875371503 DFDBBIIQQHHSKE-QHCPKHFHSA-N 417.553 3.936 0 50 HHAA O=C(NCCn1cnc2cc(Cl)ccc21)NCCn1cnc2cc(Cl)ccc21 2325817108 ISXVSRNDDAKWJS-UHFFFAOYSA-N 417.300 3.692 0 50 HHAA O=S(=O)(NC1(Cc2ccc(Cl)cc2Cl)CCC1)c1cnn2c1CCCC2 2325820348 PQRRSVGSKYVKDI-UHFFFAOYSA-N 414.358 3.970 0 50 HHAA CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C(=O)O)cc1 684678 BYAODLCHIRSVLB-LJQANCHMSA-N 422.466 3.793 0 50 HHAA CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 986075 CWWKBFGGHHAYPJ-UHFFFAOYSA-N 414.552 3.845 0 50 HHAA CCOC(=O)c1sc(NC(=O)c2cccc(OC)c2OC)c(C(=O)OCC)c1C 1054859 GYIOJKPMYNNEPZ-UHFFFAOYSA-N 421.471 3.679 0 50 HHAA Cc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 1075723 UTZCVWNHWCPLRO-UHFFFAOYSA-N 406.935 3.856 0 50 HHAA Cc1nn(-c2ccccn2)c2c1C(=O)C(Br)(Br)C(C)(C)C2 1422542 FLLXVLJOQJIEMS-UHFFFAOYSA-N 413.113 3.827 0 50 HHAA COC(=O)C1CCN(C(=O)Cc2c(OC)ccc3cc(Br)ccc23)CC1 2890408 YWNVKHBDMULYMP-UHFFFAOYSA-N 420.303 3.565 0 50 HHAA COc1ccccc1N1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 10343565 UAXKAXLCAOWLDW-UHFFFAOYSA-N 415.493 3.910 0 50 HHAA Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccn4-c4ccccn4)N4CCC[C@@]34C2=O)o1 11668208 IIOYNGSMAXLYKZ-XZOYJPPVSA-N 402.498 3.712 0 50 HHAA COc1ccc(-c2noc(CN(C)Cc3cccc4cnccc34)n2)c(OC)c1OC 11817529 KMNTZHQKJIBDOR-UHFFFAOYSA-N 420.469 3.943 0 50 HHAA Cc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)n(C)n1 12315354 PGUJTFXPDKANJZ-SFHVURJKSA-N 422.495 3.774 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3nc4ccccc4n3C)C2)c1 12316643 QWDWKHRIYQUHTF-LJQANCHMSA-N 420.557 3.891 0 50 HHAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C3Cc4ccccc4C3)C2)c(OC)c1 12386707 PWTDHFNSZJGFRR-LJQANCHMSA-N 422.569 3.980 0 50 HHAA COc1cc(CNc2nnn[nH]2)cc(Br)c1OCc1ccccc1Cl 13517645 GFLLUSSEIJHHAR-UHFFFAOYSA-N 424.686 3.815 0 50 HHAA CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2ccc(F)cc2)cc1 14963464 ZNKLOUSJVHPISO-XMMPIXPASA-N 408.517 3.987 0 50 HHAA CCc1ccc(-c2ccc(NCc3ccccc3Cl)nn2)cc1S(N)(=O)=O 16652496 LLSAMTXNYJSQMS-UHFFFAOYSA-N 402.907 3.619 0 50 HHAA COCCC(=O)Nc1ccc2c(c1)CN(Cc1cc(Cl)c(OC)c(OC)c1)CC2 19837469 DDWDQVSTPFFROS-UHFFFAOYSA-N 418.921 3.891 0 50 HHAA O=C(c1ccc(OC2CCN(Cc3cccc4nonc34)CC2)cc1)N1CCCC1 63848523 KZKWDDZUXXCJBO-UHFFFAOYSA-N 406.486 3.502 0 50 HHAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)nc(C)n2)n1 65363481 PPGXKSMYUXQMAD-UHFFFAOYSA-N 419.533 3.559 0 50 HHAA CCOc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)CC2)cc1 100769751 SFWYBYVIERABKU-SMFUMEQPSA-N 410.514 3.614 0 50 HHAA CC(C)CN1CCO[C@H](CNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)C1 248220407 HOGDXWPASSFKCX-AVDSPKTLSA-N 410.602 3.998 0 50 HHAA Cc1cc([C@@H](NC(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)C2CC2)ccc1F 479921469 QCYDDHZJMUBBHF-BTYIYWSLSA-N 408.477 3.683 0 50 HHAA CC(C)C(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccccc2F)cc1Cl 952870262 ZCZGAXSQSHXLCG-UHFFFAOYSA-N 405.857 3.832 0 50 HHAA O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H]3Cc3ccccc3Cl)ccc2N1 1251237156 CGGBRVYQGBDGIO-MRXNPFEDSA-N 404.919 3.621 0 50 HHAA COc1ccc(CC(=O)N2CCCN(c3nc4ccccc4s3)CC2)cc1OC 1506419080 WXRDSGPIJTYCLD-UHFFFAOYSA-N 411.527 3.595 0 50 HHAA CN1CCC[C@@](O)(Cc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)C1 1875268160 AFIFAYRRMJMRPN-OAHLLOKOSA-N 409.330 3.773 0 50 HHAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCCC[C@H]1c1nccs1 2356158900 DJXSFKGNVCATCR-HNNXBMFYSA-N 403.573 3.723 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cc(C)ccc2C)cc1 978982 IOQBLJSOUYAEEG-UHFFFAOYSA-N 400.544 3.820 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3OC)sc2c1 1121584 QQIWELGWVPZFRN-UHFFFAOYSA-N 419.528 3.588 0 50 HHAA Cc1ccc(CN(c2ccc(C(=O)N3CCCCCC3)cc2)S(C)(=O)=O)cc1 1147119 OBVVJOMQNPFHID-UHFFFAOYSA-N 400.544 3.977 0 50 HHAA O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N1CCCC1 1178994 OEAQNUCKGBXNKE-UHFFFAOYSA-N 413.326 3.811 0 50 HHAA CN(C)[C@H]1CCN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)C1 11753658 GCUWPQFDUKLSGJ-AWEZNQCLSA-N 408.449 3.858 0 50 HHAA Cc1cc(C)n(CCCNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)n1 11762903 DIJMONZLAXGSJN-UHFFFAOYSA-N 408.502 3.766 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2cn(CC)nc2C)C1 11879386 KFAFOGSDCSNULQ-JOCHJYFZSA-N 405.489 3.878 0 50 HHAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)[C@H]1CC=CCC1 12205245 ZVFMLXVAQNPHBS-NRFANRHFSA-N 400.563 3.739 0 50 HHAA COc1ccccc1N1C[C@@H]2C[C@@H](c3ccc4nsnc4c3)N3CCC[C@@]23C1=O 12314098 FJTHRORWNVRXJJ-OHEPNIRZSA-N 406.511 3.642 0 50 HHAA O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCN(c2ccccn2)CC1 12589017 VLIMYLYPRZYNLR-UHFFFAOYSA-N 412.493 3.970 0 50 HHAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccc(C)cc1)CC2 14532382 AHKFICBEVIZEQG-UHFFFAOYSA-N 421.541 3.823 0 50 HHAA CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N(C)CCc1ccccn1)C2 14535017 RJPNDOYIAIJCBS-OAQYLSRUSA-N 423.605 3.736 0 50 HHAA C[C@]1(C2CCN(Cc3cccc(F)c3F)CC2)NC(=O)N(Cc2ccsc2)C1=O 14881216 QQRSKISYDKPERH-OAQYLSRUSA-N 419.497 3.749 0 50 HHAA CN(C[C@H](O)COc1cccc(CNCCOc2ccccc2)c1)C1CCCCC1 14975368 GDRYLGHEUJHSGX-QHCPKHFHSA-N 412.574 3.859 0 50 HHAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1ccc(Cl)cc1 39516189 GCEBDVNRVLWMHO-JOCHJYFZSA-N 421.928 3.500 0 50 HHAA CCCn1c(C)c(CC(=O)N(C)Cc2nc(CC)no2)c2c1CC(C)(C)CC2=O 95497935 HDYHEYJQUBHKOV-UHFFFAOYSA-N 400.523 3.508 0 50 HHAA COc1cccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)c1 169758473 SYFZRYPCUTXTDI-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1C 170623977 JFESAAUCXLCNTI-UHFFFAOYSA-N 408.951 3.866 0 50 HHAA O=C(CSc1nncs1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 225551524 WKUFZDKVJKOVHG-LBPRGKRZSA-N 408.307 3.676 0 50 HHAA C[C@@]1(c2ccc(F)cc2)NC(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)C1=O 252444098 MZAQCTGHSWQNAB-JTSKRJEESA-N 424.501 3.997 0 50 HHAA Cc1ccc(C(=O)c2ccccc2NC(=O)c2n[nH]cc2C(=O)N2CCCCC2)cc1 253392707 VNFLHOLXHZAYRR-UHFFFAOYSA-N 416.481 3.828 0 50 HHAA COc1ccc([C@@H](NC(=O)CC2(n3cccc3)CCOCC2)C(C)C)cc1OC 409414312 PBDNRZGJJCHOCY-QFIPXVFZSA-N 400.519 3.915 0 50 HHAA biogenic COc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)CC2=O)cc1 409415138 UYHSWGJPPXJSAK-BTYIYWSLSA-N 403.482 3.723 0 50 HHAA O=C(CN[C@H]1Cc2cccc(O)c2C1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 429321793 FVYIRQNXFGYMQF-FQEVSTJZSA-N 424.504 3.940 0 50 HHAA Cc1cn2ccnc(C(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)c(C)s3)c2n1 467760799 VZKKTYHJKHCHFM-UHFFFAOYSA-N 418.482 3.607 0 50 HHAA CCOC(=O)c1cc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cn1C 471254939 OOCAJVLLDRTCKX-UHFFFAOYSA-N 410.474 3.947 0 50 HHAA CC(C)(C)n1ncc2c(N3CCN(C(=O)c4cccc5ccccc45)CC3)ncnc21 766388549 UNQBDBIECZUGCJ-UHFFFAOYSA-N 414.513 3.697 0 50 HHAA O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1csc2ccccc12 803032725 WBOOHMWJCYRMJH-UHFFFAOYSA-N 410.314 3.711 0 50 HHAA C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc2c(O)ncnc2c1 1298397583 ZUHHISLJORCRSE-KPZWWZAWSA-N 417.387 3.956 0 50 HHAA CCc1ccc(-c2ccc(C(=O)N(CC(=O)NC)C[C@H]3CCO[C@H]3C(C)C)o2)cc1 1875380693 WLBSZZMCFTXRIZ-XXBNENTESA-N 412.530 3.758 0 50 HHAA Cc1oc2cc(OC[C@H]3C[N@@]3Cc3cnn(C)c3)ccc2c(=O)c1-c1ccccc1 1875382285 XCXSPRNYVJWKGR-XHCCPWGMSA-N 401.466 3.765 0 50 HHAA O=C([C@H]1CCCCN1C(=O)c1ccccc1)N1CCC2(CC1)OCCc1sccc12 2356150021 ILIIQHRRNOACBX-HXUWFJFHSA-N 424.566 3.833 0 50 HHAA COc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1Cl 1119887 IWAUZTJINQFRDD-UHFFFAOYSA-N 402.619 3.909 0 50 HHAA O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(Cl)c1 2979911 VUHSXFALDCIIIG-UHFFFAOYSA-N 410.326 3.957 0 50 HHAA CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCCCC1 5317288 UGZPQLMDOBTRTE-UZLBHIALSA-N 411.502 3.689 0 50 HHAA CC(=O)Nc1cnn(-c2ccc(C(=O)N3CCCC[C@H]3CCc3ccccn3)cc2)c1 11910749 LVHMXMZYFBUSKU-QFIPXVFZSA-N 417.513 3.853 0 50 HHAA COC[C@H]1CCCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 12318398 CNVBMOHOWJDSIS-FQEVSTJZSA-N 423.557 3.624 0 50 HHAA CCN(CC)C(=O)[C@@H]1CCCN([C@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 12456469 AAEKLLNHPOWZGU-UXHICEINSA-N 419.997 3.802 0 50 HHAA Cc1nc([C@H](C)NC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)cs1 12702156 FTKPJBHOEQRPOF-AWEZNQCLSA-N 413.543 3.722 0 50 HHAA COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(C4CCCC4)CC3)C2=O)cc1 14531677 JRZWIYNXZGULOL-UHFFFAOYSA-N 413.562 3.893 0 50 HHAA CC[C@H](NC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C)c1cccs1 14991171 PCPDUBYRWGHREH-AWEZNQCLSA-N 415.588 3.694 0 50 HHAA CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 17091496 CQWJQRSBPZLAEU-UHFFFAOYSA-N 418.540 3.717 0 50 HHAA Cc1cc(C)n(-c2cccc(CN3CCN(CCc4ccccc4)[C@@H](CCO)C3)c2)n1 20202480 XYZFJEYWQBSSJM-SANMLTNESA-N 418.585 3.600 0 50 HHAA O=C(OCC(=O)c1ccccc1Cl)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100354606 OLPDUOFTHJCPEI-CALCHBBNSA-N 423.852 3.835 0 50 HHAA CCOc1ccc(CC(=O)N2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1 170605905 ZXQRTAUSNVQFBV-UHFFFAOYSA-N 405.498 3.627 0 50 HHAA CCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C 170623930 GAGIOBKYDMSNFE-UHFFFAOYSA-N 408.951 3.948 0 50 HHAA CSCC[C@@H](CO)NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 252495172 OMBYQWVSGSHPHJ-ZFWWWQNUSA-N 406.375 3.735 0 50 HHAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 252674596 SIXCHSTYCOPRDB-PGRDOPGGSA-N 421.545 3.591 0 50 HHAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H](CCSC)n1cccc1 263586426 UIJKCOXPFDVUFE-PWRODBHTSA-N 407.624 3.522 0 50 HHAA biogenic Cc1ccc(C(=O)N2CCC(C(=O)NCCc3cccc(OC(C)C)c3)CC2)cc1 952977778 ISZQGVBWKCKFEE-UHFFFAOYSA-N 408.542 3.993 0 50 HHAA Cc1cc(C)c(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c(O)n1 1704299146 NZELWAKPOJYOCD-RUZDIDTESA-N 414.509 3.981 0 50 HHAA Cc1ccc(F)c(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)c1Cl 1857667968 SLPIJVIPSMHSMZ-NRFANRHFSA-N 402.853 3.677 0 50 HHAA CC1=C(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)Cc2ccccc2O1 1875260650 VTXZJAKIINNZMV-OAQYLSRUSA-N 412.917 3.739 0 50 HHAA Cc1nc(C2CCC2)sc1CC(=O)Nc1ccc(CCN2CCN(C)CC2)cc1 1875346866 NWQUBEKHEFSYQY-UHFFFAOYSA-N 412.603 3.690 0 50 HHAA O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NC[C@@H]1CCCO1 646605 MNSPVCQQSQQYTL-ZDUSSCGKSA-N 415.412 3.689 0 50 HHAA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 1114231 WFMVFIYQPAXONU-UHFFFAOYSA-N 401.743 3.806 0 50 HHAA O=C(CCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 1132883 MNOAGBVLHAFMBY-NWDGAFQWSA-N 401.677 3.840 0 50 HHAA COc1cc([C@H]2N[C@@H](C(=O)O)CS2)cc(Br)c1OCc1ccccc1 2501102 YTLSLXBJQVQBSF-PBHICJAKSA-N 424.316 3.825 0 50 HHAA Cc1nc2ccccc2nc(C)c1=NOCc1cc2c(cc1Br)OCO2 4717429 BZJIPJXAFLUVOK-UHFFFAOYSA-N 414.259 3.770 0 50 HHAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)c3cn(Cc4ccc(F)cc4)nn3)c2)n1 11955408 QFCYFNROEPPECU-UHFFFAOYSA-N 418.476 3.540 0 50 HHAA Cc1cc2c(c(-c3ccc(Cl)cc3)c1)O[C@H](CNC(=O)CCC(=O)N(C)C)C2 11976712 GPJGDVKCUYPFHM-SFHVURJKSA-N 400.906 3.604 0 50 HHAA CCn1ccnc1CN(C)Cc1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 12306028 URQKIXHKDYHYHK-QFIPXVFZSA-N 414.594 3.539 0 50 HHAA Cc1ncc(CN2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 12435044 OKPPWGGAVDFNJZ-LJQANCHMSA-N 403.486 3.823 0 50 HHAA O[C@@H](COc1cccc(CNC(C2CC2)C2CC2)c1)CN1CCc2ccccc2C1 12702260 BILKMLFBRLYXNU-XMMPIXPASA-N 406.570 3.763 0 50 HHAA CO[C@@H]1CN(Cc2cccc(Oc3ccccc3)c2)CC(=O)N(Cc2cccnc2)C1 14539583 ZASYPWYXPYAKEA-XMMPIXPASA-N 417.509 3.733 0 50 HHAA O=C1C[C@@H](/C=C/c2ccccc2)Cc2nc(N3CCN(c4ccccn4)CC3)ncc21 18223130 VRIPVTBAAHOYBI-XTXLJPNXSA-N 411.509 3.657 0 50 HHAA Cc1ccccc1Cn1cnc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n1 20616185 QJNJXNSRBQLRDG-UHFFFAOYSA-N 420.420 3.854 0 50 HHAA CCCCn1c(CN(C)C[C@H]2CCCCO2)cnc1S(=O)(=O)CCCC(C)C 55211596 ALKUDBFQXKHCGJ-HXUWFJFHSA-N 413.628 3.894 0 50 HHAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 65365627 VYHOVTJPJYTSGS-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA Cc1noc2nc(C(C)C)cc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)c12 170613557 MXVFHURRBLVQAD-IBGZPJMESA-N 422.529 3.676 0 50 HHAA OC[C@@]12[C@@H]3[C@H]4[C@H]([C@H]5CCC[C@H]53)[C@@]3(COc5ccccc5)[C@@H]5[C@H]6[C@H](CC[C@H]6[C@@H]1[C@@H]45)[C@]32O 257356460 IEUFYJSOEMIWDR-LSOGDAQRSA-N 404.550 3.599 0 50 HHAA O=C(OCc1cccnc1)c1cc(C(F)(F)F)cc(C(=O)OCc2cccnc2)n1 263639795 JAGGRAARWIEFFP-UHFFFAOYSA-N 417.343 3.604 0 50 HHAA Cn1cc(C(=N)O)c([C@H]2CCCN(C(=O)Nc3ccc(-c4nccs4)cc3)C2)n1 328604442 JWAAEZINPQKMOU-AWEZNQCLSA-N 410.503 3.838 0 50 HHAA Cc1noc(C)c1CN1CCc2c(C(=O)N(C)[C@@H](C)c3ccncn3)csc2C1 426662239 NNMAZQIIXJLOHW-AWEZNQCLSA-N 411.531 3.534 0 50 HHAA Cc1ccc(Br)cc1C(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 484164565 RNADQLLYNOLETR-HNNXBMFYSA-N 401.304 3.883 0 50 HHAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cc3ccccc3nc1C)CC2 746337882 JAKASPWSWOXBPP-HXUWFJFHSA-N 420.465 3.775 0 50 HHAA O=C(CCN1CCCCCC1=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 828019307 AXNPGRNMVOOUIA-FQEVSTJZSA-N 405.970 3.776 0 50 HHAA CN1CC[C@@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)[C@H](c2cnn(C)c2)C1 849577076 GMDSLCLTSYCIFA-PKTZIBPZSA-N 400.526 3.712 0 50 HHAA O=C(CCSc1ccc2c(c1)OCCO2)N1CCC([C@H](O)c2cccs2)CC1 1506421080 DYKACCVDEZSRTE-NRFANRHFSA-N 419.568 3.974 0 50 HHAA O=C(O)c1cscc1C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1857782932 DLNSQNKNGCVMIM-UHFFFAOYSA-N 421.474 3.899 0 50 HHAA CN(C(=O)c1cc2ccc(F)cc2s1)[C@@H]1CCCN(C(=O)[C@@H]2CCCS2)C1 1875310409 OYZSDGWBIYCODR-CVEARBPZSA-N 406.548 3.999 0 50 HHAA COC(=O)[C@@H](Cc1ccoc1)NC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 2325826420 AQJBAMGUWCOGTI-LJQANCHMSA-N 423.856 3.990 0 50 HHAA CN(C)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(Br)cc1 751929 GXCLGHAMFPRBPP-UHFFFAOYSA-N 413.275 3.589 0 50 HHAA CCOc1ccccc1CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 795500 XQENKQDASGROHS-UHFFFAOYSA-N 421.585 3.642 0 50 HHAA CCc1cccc(C)c1NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 1141638 YMQDBVJJKPNOLQ-UHFFFAOYSA-N 410.923 3.624 0 50 HHAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 2926128 KXIDZRYCTFORKW-QFIPXVFZSA-N 424.497 3.815 0 50 HHAA CCOc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccccc2)cc1 3670241 FWCMXTOZUAUDDM-XMMPIXPASA-N 417.465 3.599 0 50 HHAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)c(OC)c1 4907029 QNGIVWCHXKNYRJ-GOSISDBHSA-N 417.918 3.789 0 50 HHAA Cc1ccccc1CCN1CCC[C@@H](CN(C)Cc2cccn2-c2ncccn2)C1 11842983 HNWHZIKBMJEVNJ-QFIPXVFZSA-N 403.574 3.962 0 50 HHAA COc1ccccc1OCC(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2C)C1 12049637 FCFHONCSPXTZPZ-NRFANRHFSA-N 410.558 3.796 0 50 HHAA COc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3cccc4cccnc34)c2C)cc1 12373164 KITFSXUVDSGCBU-HNNXBMFYSA-N 422.510 3.777 0 50 HHAA CCc1cccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2-c2ccc(C)cc2)c1 12413501 RRPJTNQHTGZZHN-UHFFFAOYSA-N 419.510 3.710 0 50 HHAA biogenic,in-vitro CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCCN(CCc2ccccc2)C1 12751126 HIDSCOUMHCWCJC-XMMPIXPASA-N 402.542 3.711 0 50 HHAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1c[nH]c3ccccc13)CC2 14746029 JGNPIWCFCJEPTH-UHFFFAOYSA-N 416.525 3.639 0 50 HHAA O=C(NCCc1ccccc1)[C@@H]1CC12CCN(C(=O)CSc1ccccc1)CC2 14984312 GYXMSVBPRHLFTQ-NRFANRHFSA-N 408.567 3.766 0 50 HHAA CC(=O)NC(NCCOC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F 20494935 WGZALXGQVKMDGC-UHFFFAOYSA-N 402.379 3.518 0 50 HHAA Cc1ccc(OCn2ccc(C(=O)N3CCN(Cc4cccc(F)c4)CC3)n2)c(C)c1 20528476 FTKKEXNXYOAIRN-UHFFFAOYSA-N 422.504 3.634 0 50 HHAA COc1ccc(-c2nc(CN3CCN(c4nc(C)cnc4C)CC3)c(C)o2)cc1C 55107815 HXRYZCOESQQWCI-UHFFFAOYSA-N 407.518 3.696 0 50 HHAA CCc1ccc2nc(-c3cnn(CCO)c3)cc(C(=O)N3CCCC(F)(F)C3)c2c1 63844581 LHOQFQMNGZLKDF-UHFFFAOYSA-N 414.456 3.524 0 50 HHAA Cc1cc(C)nc(SCC(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)n1 225326514 BBKUYXFIUZXIPC-IKGGRYGDSA-N 405.564 3.687 0 50 HHAA CC(=O)Nc1sc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)nc1-c1ccccc1 479351331 PXWJVIZUWKJRCC-OAHLLOKOSA-N 406.467 3.833 0 50 HHAA OC[C@]12CN(Cc3ccc(Cl)s3)C[C@H]1CN(c1ncc(Cl)cc1F)C2 1772805449 KYVSTZNKQHOHOQ-APPDUMDISA-N 402.322 3.520 0 50 HHAA CCOc1cc2c(c3[nH]c(C(=O)Nc4cc(C(N)=O)c(F)cc4F)cc13)O[C@@H](C)C2 1875256847 IKWBYZIBMPRLEF-VIFPVBQESA-N 415.396 3.519 0 50 HHAA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(I)cc1 623624 ICZVSUMEKOYLMV-AWEZNQCLSA-N 424.263 3.733 0 50 HHAA CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(Oc2ccccc2)cc1 840644 QQGICJDIWNUJBH-UHFFFAOYSA-N 402.516 3.694 0 50 HHAA CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 1110718 ALSAHWBJRWYQIK-UHFFFAOYSA-N 424.478 3.916 0 50 HHAA O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccco1)Nc1ccc(F)cc1 1125686 VUKWUWKYYUZZFJ-IBGZPJMESA-N 407.401 3.785 0 50 HHAA COc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccccc2)cc1 2903053 QVCVXIBAONCCSC-UHFFFAOYSA-N 418.559 3.687 0 50 HHAA O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1)C1CC1 4823486 DAXOUFYGDWOFLS-SFHVURJKSA-N 406.438 3.602 0 50 HHAA CCC(=O)N[C@@H](NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl 8692070 FLLFQWCIOCBSOS-ZDUSSCGKSA-N 405.738 3.744 0 50 HHAA CCc1cc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)n(C)n1 11663019 PQOOQHWBYLSZLM-INIZCTEOSA-N 400.498 3.701 0 50 HHAA CCN(Cc1ccncc1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 11820528 CARMFWNRAHQWQJ-UHFFFAOYSA-N 407.514 3.524 0 50 HHAA O=C(CCc1nc2cc(F)ccc2[nH]1)NC[C@@H]1Cc2cc(-c3cccnc3)ccc2O1 12025992 HOKLCKXKGGRPCG-IBGZPJMESA-N 416.456 3.817 0 50 HHAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CC=C(c3ccccc3)CC1)C2 14536163 DVMZLFMHBYPJKW-OAQYLSRUSA-N 404.558 3.786 0 50 HHAA CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(Cc1ccccc1)CC2 14536497 IWZJUBADLIRZMT-UHFFFAOYSA-N 421.570 3.580 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(C)cc3)n2)ccc1C 16651783 WIMGKUWGEQHZDJ-INIZCTEOSA-N 404.470 3.685 0 50 HHAA COC(=O)c1ccccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 18172596 VWYODXVPXYOCPE-ZXPDZVFASA-N 414.893 3.652 0 50 HHAA CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1nc2ccccc2[nH]1 20868376 UIGYGHZTUFLJOZ-UHFFFAOYSA-N 414.509 3.987 0 50 HHAA COc1ccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc1F 169753591 ASZSKFAUMVBGAZ-QGZVFWFLSA-N 412.440 3.762 0 50 HHAA COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccco4)N(c4ccc(Cl)cc4)O[C@H]3C2=O)cc1 229968953 HXJRKUHQBVJCQZ-XUVXKRRUSA-N 424.840 3.993 0 50 HHAA COc1ccccc1C(=O)N1[C@H](C(=O)Nc2cccc3nonc23)C[C@H]2CCCC[C@H]21 253395721 GJFGQJAXKOKWPZ-ZMYBRWDISA-N 420.469 3.643 0 50 HHAA Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 426684417 ZMFYSIZBYHLLDL-NKNQFRNOSA-N 405.498 3.663 0 50 HHAA CNC(=O)[C@]1(C)CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)C1 431231296 LHKFZJRJCIUZGT-RUZDIDTESA-N 416.525 3.505 0 50 HHAA O=C([C@@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 475466270 KLVZOWFXYSIQGA-VJQJMSHESA-N 400.526 3.572 0 50 HHAA CC(C)CN1CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C[C@@H]1CCO 952966843 GYMAGIGNPYGIIE-QFIPXVFZSA-N 414.521 3.570 0 50 HHAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCC[C@H]1c1ccc(CN(C)C)cc1 952981402 MMAQTCINNVYCJQ-QFIPXVFZSA-N 424.570 3.768 0 50 HHAA CCc1cccc2c(C(C)=O)cn(CC(=O)N(C)C[C@H]3Cc4ccccc4CN3C)c12 1506399809 JFXSIOYORURDOX-JOCHJYFZSA-N 417.553 3.921 0 50 HHAA O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CCN(Cc2ccc3ccccc3c2)CC1 2325871270 FVZCLZUZTNHPKD-UHFFFAOYSA-N 412.497 3.871 0 50 HHAA COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 951526 BYZCMPFDONZEQS-GOSISDBHSA-N 400.862 3.916 0 50 HHAA Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 3874478 ZHVWWEYETMPAMX-IFKAHUTRSA-N 415.489 3.838 0 50 HHAA biogenic,in-vitro CCc1nc(C)c(CN2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)[nH]1 11818857 VYROOMWPOJHMTH-UHFFFAOYSA-N 423.605 3.622 0 50 HHAA CC1(C)C[C@H](NC(=O)CCc2nnc(Cc3cccc(C(F)(F)F)c3)o2)CCO1 12029145 NPBVZYYVDQCWDH-OAHLLOKOSA-N 411.424 3.686 0 50 HHAA CCCC[C@@H]1CN(CCC(=O)NCCCOc2cccnc2)Cc2ccccc2O1 12160324 OZRFPZKWXWFHHQ-JOCHJYFZSA-N 411.546 3.810 0 50 HHAA CCCCn1c(CN(C)Cc2nc(C)c[nH]2)cnc1S(=O)(=O)CCCC(C)C 12302156 RMJPLCIDQQNIRJ-UHFFFAOYSA-N 409.600 3.557 0 50 HHAA Cc1ccccc1CCN1CCC(CN(C(=O)[C@H](C)n2cncn2)C2CCCC2)CC1 12303749 VETLOEHAXNQMEE-NRFANRHFSA-N 423.605 3.873 0 50 HHAA Cn1c2c(cc(Cc3ccccc3F)c1=O)CN(C(=O)c1cc3sccc3[nH]1)CC2 14532886 GHBRJTKQURZBOW-UHFFFAOYSA-N 421.497 3.857 0 50 HHAA O=C(O)CCCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 17081945 NAZTUURKUFLERC-UHFFFAOYSA-N 400.500 3.750 0 50 HHAA O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 17090767 CDAQZPATSIGLSB-HUUCEWRRSA-N 416.543 3.905 0 50 HHAA Cc1nc(Nc2ccc(NC(=O)COc3ccccc3)cc2)cc(-n2ccnc2)n1 72441937 OAWHABXIGOLXDR-UHFFFAOYSA-N 400.442 3.732 0 50 HHAA COc1cc(Cl)ccc1C(=O)N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1 169759531 ZNLAUZSHKKJINC-ZDUSSCGKSA-N 402.907 3.809 0 50 HHAA Cc1ccc(C)c(C(=O)NCCn2ccn3nc(-c4cc(C)ccc4C)cc3c2=O)c1 169775776 WKZYYGGWYYAQBV-UHFFFAOYSA-N 414.509 3.827 0 50 HHAA Cc1cc(C)n2nc(C)c(C(=O)N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)c2n1 170623574 YAAPJSIDBNVXGB-HXUWFJFHSA-N 412.921 3.894 0 50 HHAA O=S(=O)(Nc1cnc[nH]1)c1ccc(Oc2cccc(F)c2)c(Br)c1 225392330 QBRTUYYWYSUWIE-UHFFFAOYSA-N 412.240 3.904 0 50 HHAA CN([C@@H]1[C@@H]2CCO[C@H]2C1(C)C)S(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 241277689 LIGLKRUDWXSVAU-RCCFBDPRSA-N 413.486 3.650 0 50 HHAA O=C(Cc1ccc(NC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)cc1)NC1CC1 952975131 OFYQWNSBTZJKSC-QHCPKHFHSA-N 409.505 3.813 0 50 HHAA O=C1Nc2ccccc2[C@@H]1C1CCN(c2nc(-c3ccccn3)nc3c2CCC3)CC1 1251902297 ISIGQIZBNKHGQO-QFIPXVFZSA-N 411.509 3.980 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)C1 1875371659 INZSIVZUXVAINC-DOTOQJQBSA-N 412.477 3.747 0 50 HHAA O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cc(-c2ccccc2F)nc2onc(C3CC3)c12 2325738525 XCHNFWJAYSQPSE-CQSZACIVSA-N 417.444 3.917 0 50 HHAA O=C(O)[C@H](Cc1ccc(Br)cc1F)NC(=O)[C@@H]1CC=Cc2ccccc21 2325862170 LTITZCGPBKJLGQ-AEFFLSMTSA-N 418.262 3.901 0 50 HHAA O=C(NCCCCn1cc(-c2ncccc2F)nn1)C(F)(F)/C=C/c1ccccc1 2325871025 ZCPBUOOWQZPOSP-ZHACJKMWSA-N 415.419 3.724 0 50 HHAA Cc1ccc(-n2c(C)c(C)c3c(NC(=O)C[C@@H]4COCC(C)(C)O4)ncnc32)cc1 2325879733 FZTCSFYHIINHDW-GOSISDBHSA-N 408.502 3.868 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cnc4c(c3)CCCC4)CC1)OCC2 2356144839 OCKYUDJHSQDAEN-UHFFFAOYSA-N 422.525 3.682 0 50 HHAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2Cl)c1 909949 PIONEMPAISDVGO-GOSISDBHSA-N 401.850 3.624 0 50 HHAA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCOCC2)cc1 1181719 CVGTYXSYPAQXBD-XCVCLJGOSA-N 401.919 3.703 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl 2874548 QFPWWLBMZZMEKK-UHFFFAOYSA-N 409.241 3.676 0 50 HHAA CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccc1C 7043982 TUHCSIYJGSQCLR-UHFFFAOYSA-N 410.499 3.775 0 50 HHAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 11948475 DGKPSNPYEIMPAW-QGZVFWFLSA-N 408.502 3.664 0 50 HHAA CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccn2)cc1 12029315 YVFXOACYODTBHV-JOCHJYFZSA-N 419.569 3.980 0 50 HHAA CC(C)c1cc(C(=O)N2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)on1 12308965 JSUSJKVXOGJOPK-SFHVURJKSA-N 412.534 3.527 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4cc[n+]([O-])cc4)C3)c2)c1 12387616 RBQHVEDSRBURHE-QFIPXVFZSA-N 415.493 3.786 0 50 HHAA COc1ccccc1CCN1CCC(CN(C)C(=O)c2cccc(N(C)C)c2)CC1 12437738 VDAGQLKITMMQNF-UHFFFAOYSA-N 409.574 3.788 0 50 HHAA O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCC(c2nc3ccccc3o2)CC1 12746163 KVVGLVALXRERMX-UHFFFAOYSA-N 405.433 3.627 0 50 HHAA O=C(c1ccncc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 14961901 CZERPZUJOQJMIG-VWLOTQADSA-N 419.569 3.582 0 50 HHAA CCN(C[C@H]1CCCO1)C(=O)c1cc(COc2ccc3sc(C)nc3c2)on1 14980771 VFPNMGVBEZBISK-OAHLLOKOSA-N 401.488 3.813 0 50 HHAA O=C(NCCCn1ccnc1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 18209950 KOBSNTCMQVRZQT-IAGOWNOFSA-N 418.423 3.560 0 50 HHAA O=C1CCN(Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccn1 20861621 VZHYXEDVDOJLIF-UHFFFAOYSA-N 401.510 3.895 0 50 HHAA COc1cc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc(OC)c1 23282453 GPROBVCGWZKAFV-UHFFFAOYSA-N 406.320 3.950 0 50 HHAA O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1 114896012 ZGCMQKWOUIMBEP-UHFFFAOYSA-N 411.469 3.990 0 50 HHAA Cc1nc(N2CCC(NC(=O)C3(c4ccccc4)CC3)CC2)cc(C(F)(F)F)n1 169780441 QKATUQBCIRXTCW-UHFFFAOYSA-N 404.436 3.621 0 50 HHAA Cc1nc2sc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(C)c2c(=O)[nH]1 170625517 NBKOEISAUQVANJ-UHFFFAOYSA-N 400.891 3.709 0 50 HHAA Cc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3NS(C)(=O)=O)C2)cc1 242263290 XXRDSTNTSIECHH-HXUWFJFHSA-N 423.494 3.951 0 50 HHAA NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl 247702464 APZQJYMEOLWFTA-ZWZTZDBGSA-N 404.725 3.704 0 50 HHAA COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)c1noc([C@H](C2CC2)N(C)C)n1 252499995 SLKZYRPWVDKMDE-SJORKVTESA-N 402.495 3.705 0 50 HHAA C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)CCc1nc(C2CCCC2)no1 253418695 ZUFALUYLVNOBEM-SPYBWZPUSA-N 420.554 3.810 0 50 HHAA CCOc1ccccc1N1CCN(C(=O)CC(=O)Nc2cccc(Cl)c2C)CC1 952978296 DVYNVJVLKMRCQC-UHFFFAOYSA-N 415.921 3.725 0 50 HHAA CC(C)c1noc(C2CCN(C(=O)c3ccc4sc5c(c4c3)CCNC5=O)CC2)n1 952980002 GXVLWFADHYMPNJ-UHFFFAOYSA-N 424.526 3.713 0 50 HHAA O=C(O)C[C@@H]1C[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)CO1 1857783550 XSGVESBLDAPUMH-GYCJOSAFSA-N 407.466 3.891 0 50 HHAA O=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccc2c(c1)OCO2 655960 UEQJAJOIVWRWSX-UHFFFAOYSA-N 404.378 3.649 0 50 HHAA Cc1cccc(C)c1-n1nnnc1SCSc1nnnn1-c1c(C)cccc1C 683822 NPHFDKAEYQLXKR-UHFFFAOYSA-N 424.559 3.714 0 50 HHAA NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Cl 845257 ZQSOJXYVYGINNK-UHFFFAOYSA-N 419.588 3.930 0 50 HHAA O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 913164 JLGOXOVUTOOTSI-UHFFFAOYSA-N 423.903 3.615 0 50 HHAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC1CCCCCC1 1142643 WSIKXEYECUEWBZ-UHFFFAOYSA-N 404.507 3.860 0 50 HHAA CCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1 1169791 HQTHBZQHTOBDKL-UHFFFAOYSA-N 406.305 3.924 0 50 HHAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)cc1OC 4672240 ZFFASVBUFWWVMU-QFIPXVFZSA-N 424.497 3.898 0 50 HHAA COc1cc(CNCCc2ccco2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 11766419 KCHHUZMTXYTUPQ-NRFANRHFSA-N 416.562 3.625 0 50 HHAA COc1ccc(-n2ccnc2CN2CCC[C@@](CO)(Cc3cccc(OC)c3)C2)cc1 11820068 DOMJLOCFGVMPJJ-RUZDIDTESA-N 421.541 3.707 0 50 HHAA COC(=O)c1ccccc1C(=O)N1CCC(c2ccnc(-c3ccccc3)n2)CC1 11872843 DISJDUBWDSOHGR-UHFFFAOYSA-N 401.466 3.950 0 50 HHAA O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCC[C@H](CCCO)C1 11873527 ZZEAYDCZQXELJD-CQSZACIVSA-N 412.408 3.897 0 50 HHAA COc1cccc(C[C@]2(CCC(=O)NCc3c(F)ccc(C)c3F)CCC(=O)N2)c1 11965419 PPJMYBDEBZGGMG-QHCPKHFHSA-N 416.468 3.570 0 50 HHAA COc1ccccc1N1C[C@@H]2C[C@@H](c3nc4ccccc4n3C)N3CCC[C@@]23C1=O 12193586 SXTZSVJQMVMIHM-YFBXQHAESA-N 402.498 3.524 0 50 HHAA Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)CSc2ccccn2)n1C 12213685 AIDRHUPNNMZHNJ-OAHLLOKOSA-N 413.572 3.780 0 50 HHAA COc1cc(C)c(CN2CCC([C@]3(CCC(C)C)NC(=O)NC3=O)CC2)cc1C 12213907 LJSGUVRHARXDAM-QHCPKHFHSA-N 401.551 3.538 0 50 HHAA C[C@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(CN(C)Cc2ccsc2)c1 12218716 OPWYJCANLDKKDT-MRXNPFEDSA-N 424.570 3.789 0 50 HHAA CC(C)CS(=O)(=O)c1ncc(CN2C[C@@H]3CCC[C@H]2C3)n1Cc1ccccc1 12302486 OUPBVFYLDDAQNS-UXHICEINSA-N 401.576 3.736 0 50 HHAA O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)C1(N2CCCCC2)CCCCC1 12305823 JKVXLAWMRNYIDF-FQEVSTJZSA-N 407.562 3.950 0 50 HHAA O=C1CCN(Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1ccncc1 14882802 VBDROGSSUSDDDS-UHFFFAOYSA-N 401.510 3.895 0 50 HHAA CCc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C(N)=O)cc1 17089223 PVFSCEJMKFTQQV-CVEARBPZSA-N 412.511 3.990 0 50 HHAA OCC[C@@H]1CN(Cc2nc3ccccc3s2)CCN1Cc1ccc(F)c(F)c1 22919063 ASAYGHNWFSTXTA-MRXNPFEDSA-N 403.498 3.643 0 50 HHAA COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccnc3)c3ccccc3C(=O)N2C)cc1OC 40267883 AIOKNPIENITEMR-FCHUYYIVSA-N 417.465 3.648 0 50 HHAA COc1cccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)c1 100314486 HHWBNEXNRKNJLF-HXUWFJFHSA-N 420.490 3.852 0 50 HHAA CCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1 170623979 SBCKFXHFJJJIOC-UHFFFAOYSA-N 408.951 3.866 0 50 HHAA CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 225521506 HQEXNEZNSFILMY-NQIIRXRSSA-N 413.518 3.559 0 50 HHAA CN1CCC(O)(c2ccc3c(c2)CN(Cc2ccc(F)cc2Cl)CCO3)CC1 299756493 FZVLTFKFKQGTAZ-UHFFFAOYSA-N 404.913 3.787 0 50 HHAA Cc1cc(C[C@@H](C)NC(=O)NC[C@@H](c2ccco2)N2CCCC2)n(-c2ccccc2)n1 448117036 UQOLBFBXCGRYIS-GCJKJVERSA-N 421.545 3.841 0 50 HHAA C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)C1 461299933 IDTMQLOLJRFBGC-IERDGZPVSA-N 419.518 3.998 0 50 HHAA Cc1nnc2n[nH]c(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)c2c1C 808064054 NLWUMRYRQPQPKD-SFHVURJKSA-N 413.437 3.676 0 50 HHAA Cc1cc(F)ccc1N1CCC(NCc2noc(-c3ccc4c(c3)OCO4)n2)CC1 1506398945 IGZVLTYNIGUYHZ-UHFFFAOYSA-N 410.449 3.671 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)CCc3ccsc3)CC1)OCC2 1704305474 WNWDOPGOSUMZGQ-UHFFFAOYSA-N 401.528 3.789 0 50 HHAA O=C(NC[C@H]1[C@H]2CN(Cc3cccc(Cl)c3)C[C@]23CC[C@H]1O3)c1cccs1 1857733983 IULFARKZMPSLHW-XKGFGPFHSA-N 402.947 3.811 0 50 HHAA O=S(=O)(Cc1cccc(F)c1)N1CCC(c2nc(-c3cccs3)no2)CC1 1857799594 NAJZIEUDYIKGKM-UHFFFAOYSA-N 407.492 3.647 0 50 HHAA Cc1nsc2ncc(C(=O)N3CCC[C@H]3COC(=O)NC3CCCCC3)cc12 1875257037 IHJHUAFXTUVSIX-INIZCTEOSA-N 402.520 3.663 0 50 HHAA CCCOc1ccccc1CNC(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356138029 FPNZSRXWMAOFRC-UHFFFAOYSA-N 400.544 3.618 0 50 HHAA Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2)cc1 754889 NFVDKCSHTYREHI-UHFFFAOYSA-N 400.390 3.746 0 50 HHAA O=C(CS[C@@H]1CC(=O)N(c2ccccc2F)C1=O)Nc1ccc2ccccc2c1 778036 KRJIWJQCGXFPKX-LJQANCHMSA-N 408.454 3.983 0 50 HHAA CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1c(F)cccc1Cl 1077223 XBUQDAYYZATOFG-KRWDZBQOSA-N 409.870 3.548 0 50 HHAA CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1cccs1 2387386 CBQHZWWCMNWOBU-UHFFFAOYSA-N 402.501 3.544 0 50 HHAA COc1cc(C(=O)N2CCOCC2)cc(Br)c1OCc1ccccc1 3612337 LJNGOSHFSDBEPL-UHFFFAOYSA-N 406.276 3.509 0 50 HHAA CCOC(=O)c1ccc(NC(=S)N2CCN(c3ccccc3OCC)CC2)cc1 5041421 XPIVJJPALRZCOO-UHFFFAOYSA-N 413.543 3.781 0 50 HHAA CCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl 5261160 TWBRUIWSNZUBCS-ZDUSSCGKSA-N 412.770 3.984 0 50 HHAA O=C(CSc1nc2ccccc2c2nc(-c3ccncc3)nn12)Nc1nccs1 9575535 QFZMSWIXEWBGQM-UHFFFAOYSA-N 419.495 3.527 0 50 HHAA O=C(NC[C@@H]1CCC2(CCN(Cc3cccc4ccccc34)CC2)O1)C1CCOCC1 11872780 LWCJNYXWPVZGGZ-QHCPKHFHSA-N 422.569 3.896 0 50 HHAA O=C(NC[C@H]1CCC2(CCN(C(=O)c3ccc(F)c(F)c3)CC2)O1)C1CCCCC1 12039249 CMJGNFLMWZJDEB-GOSISDBHSA-N 420.500 3.815 0 50 HHAA CN(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 12332551 IKIKLHCVDXAMCT-QFIPXVFZSA-N 416.525 3.778 0 50 HHAA COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 19595035 ZGMQTMDJMLCSGY-UHFFFAOYSA-N 408.420 3.681 0 50 HHAA CSc1n[nH]c(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)n1 19821295 YTKXUEKDZQXPRH-UHFFFAOYSA-N 423.889 3.502 0 50 HHAA COc1ccc2c(c1)c(C(=O)Cn1nc(-c3ccc(F)cc3)ccc1=O)c(C)n2C 40283683 NJMRUDVYLFGUDZ-UHFFFAOYSA-N 405.429 3.741 0 50 HHAA CN(Cc1ccccc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 55037036 VFJPAXOOIZRONW-UHFFFAOYSA-N 419.569 3.809 0 50 HHAA COc1cccc(CCC(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1 169753579 TYUVPNSNEXORDR-HXUWFJFHSA-N 422.504 3.942 0 50 HHAA CCN(CC)CCCNC(=O)C1CCN(c2c(C)cnc3c(OC)cccc23)CC1 170604900 PDROGPXDAAUUGD-UHFFFAOYSA-N 412.578 3.616 0 50 HHAA CSCC[C@H](C(=O)N1CCC[C@@H]2CCCC[C@H]21)N1C(=O)c2ccccc2C1=O 229901896 QQTGLNBFIIIEEA-KFKAGJAMSA-N 400.544 3.586 0 50 HHAA COCCn1ccc2c(OCC(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cccc21 263588460 UIWVGPLPGHTEKJ-NRFANRHFSA-N 418.497 3.907 0 50 HHAA O[C@H](c1cccnc1)c1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccccc1)CCO2 299759314 QJPVIDDMDHFWNL-VWLOTQADSA-N 412.493 3.948 0 50 HHAA COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cnc(SC)n2-c2ccccc2)C1 328592623 PYFJULXEDGZIDO-QHCPKHFHSA-N 421.522 3.551 0 50 HHAA c1cc(CN2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc(OCCCn2ccnc2)c1 952969665 OQGIKOFWLWSADR-DEOSSOPVSA-N 414.513 3.618 0 50 HHAA COc1ccccc1Oc1ccc(NC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)cc1 952985649 FZTZYJVWEPSZPK-WOVMCDHWSA-N 407.474 3.774 0 50 HHAA C[C@@]12CC3CC(OCCNc4nccc(N5CCC[C@H](O)C5)n4)(C1)C[C@](C)(C3)C2 1529168140 WUTLOUZLPGHMBO-YSAFUNNSSA-N 400.567 3.615 0 50 HHAA COc1ncccc1CN1CCC2(CC1)OCCc1cc(-c3cncnc3)sc12 1857725883 QYDCFIQMVRYSPN-UHFFFAOYSA-N 408.527 3.673 0 50 HHAA CCCO[C@@H]1C[C@@H](C(=O)N2CCCC2)CC[C@H]1NC(=O)CCc1ccccc1C 1875241545 XHFDMOGARWVBCR-BHDDXSALSA-N 400.563 3.630 0 50 HHAA COC(=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 1903846773 DLYVTEULDNMQAR-KKQAHQLYSA-N 422.606 3.537 0 50 HHAA O=C1CC[C@H](c2ccc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)cc2)N1 2325860598 MVDCSFLKAKFXSH-XMMPIXPASA-N 413.521 3.749 0 50 HHAA Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(C)c1 673934 AHYAHMJOXPDTKM-UHFFFAOYSA-N 406.463 3.905 0 50 HHAA CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 969710 VTDWLDUENZUQNL-UHFFFAOYSA-N 420.534 3.851 0 50 HHAA FC(F)c1cc(C(F)F)n(Cc2nc3c4cnn(-c5ccccc5)c4ncn3n2)n1 2800332 AUCUVJPNCRFGGF-UHFFFAOYSA-N 416.342 3.583 0 50 HHAA COc1ccc(CC2=NO[C@@H](CNC(=O)c3ccc(-n4nc(C)cc4C)cc3)C2)cc1 11870071 ANESPPXNLMNILN-HSZRJFAPSA-N 418.497 3.615 0 50 HHAA CCOc1ccc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3OC)nc(C)c2c1 12055087 RNXRAOJNGIJAHM-OAQYLSRUSA-N 420.513 3.631 0 50 HHAA CSc1nc(C(=O)NC[C@@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)cs1 12149667 GTQYZWIAVYQRAK-ZDUSSCGKSA-N 401.488 3.800 0 50 HHAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C[C@H](C)Cc1ccc2c(c1)OCO2 12438411 UWEPOVFTSBYRPV-HXUWFJFHSA-N 415.622 3.722 0 50 HHAA CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCCN(Cc2ccccc2F)C1 12744580 OCIJXYCPLQMMRO-JOCHJYFZSA-N 406.505 3.807 0 50 HHAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NC1CCCCCCC1)C2 14744886 OJRBNWDORJBTIP-SFHVURJKSA-N 404.624 3.652 0 50 HHAA Cc1cccc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)n1 14751667 RABBUGBRJYDZLW-JOCHJYFZSA-N 421.541 3.593 0 50 HHAA CC(=O)Nc1cc(C(=O)NCC2CCCCC2)cc2ncn(CCc3ccccn3)c12 14977955 BNEVSVZGQPMGJJ-UHFFFAOYSA-N 419.529 3.943 0 50 HHAA Cn1cc(CN2CCCN(C3Cc4ccccc4C3)CC2)c(-c2ccccc2F)n1 23358794 XUFRCWDAEURTED-UHFFFAOYSA-N 404.533 3.901 0 50 HHAA Cc1cc(CNC(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)no1 77523778 IYPFPCARNDGWDO-UHFFFAOYSA-N 408.502 3.945 0 50 HHAA COc1ccc(CCS(=O)(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1 170603723 WBHFPNURIRGMLA-UHFFFAOYSA-N 416.474 3.684 0 50 HHAA COc1ccc(C2(CNC(=O)[C@@H]3CCCCN3C3CCCC3)CCOCC2)cc1 239359539 AEPYNSXQVWGSTG-QFIPXVFZSA-N 400.563 3.657 0 50 HHAA CC(C)(C)OC(=O)NCC1(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)CC1 242048148 VTHIGPLHDXNBGD-SFHVURJKSA-N 413.562 3.908 0 50 HHAA COCCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCO[C@@H](C)C1 252497023 PXLLAPFBZLMHMZ-JKSUJKDBSA-N 408.930 3.560 0 50 HHAA O=C(CC1(n2cccc2)CCOCC1)Nc1n[nH]c(-c2ccc(F)c(Cl)c2)n1 409414733 VUUZMIPKOAEAOL-UHFFFAOYSA-N 403.845 3.600 0 50 HHAA COc1ccc(CNC(=O)C2CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)cc1 952964103 MBEVXFFCMRXESE-NRFANRHFSA-N 406.526 3.670 0 50 HHAA CC[C@@]1(O)CCC[C@@H]2CN(c3nnnn3Cc3ccc(-c4ccccc4)cc3)C[C@@H]21 1704343483 HWVWBVKFTIQYPM-AOHZBQACSA-N 403.530 3.766 0 50 HHAA O=C(Nc1nc(N2CCCCC2)n[nH]1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 1875255324 CMVQQWHHUFLVSO-UHFFFAOYSA-N 413.485 3.900 0 50 HHAA CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2nc(-c3cccc(Cl)c3)cs2)C1=O 1875319392 ALYKIXBUILTECU-LJQANCHMSA-N 415.906 3.554 0 50 HHAA O=C1N(Cc2ccccn2)CCC[C@@]12CCCN2Cc1coc(-c2ccccc2)n1 2100534313 CGKYVSSEHMQGHX-XMMPIXPASA-N 402.498 3.894 0 50 HHAA Cc1nn(C)cc1CC(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccn1 2325821097 CBFUNGKXBSKXBI-UHFFFAOYSA-N 418.284 3.864 0 50 HHAA CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCc1ccccc1 4189507 OAPFFNVLXQTFPA-HXUWFJFHSA-N 412.511 3.800 0 50 HHAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2cc(Br)cn2)cc1 4789192 ROGDGRGVNNWSJO-UHFFFAOYSA-N 400.232 3.658 0 50 HHAA O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 8035185 ZLTAIQRXTDSWQA-UHFFFAOYSA-N 400.834 3.655 0 50 HHAA Cc1csc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2CC(C)C)n1 9095994 WOUJQAPTEOSSGR-CYBMUJFWSA-N 402.549 3.880 0 50 HHAA O=C(c1ccncc1)N(Cc1ccc(OCCN2CCCCC2)cc1)C[C@H]1CCCO1 11999436 PSKFUFKYVUZKLM-XMMPIXPASA-N 423.557 3.768 0 50 HHAA CCc1ccccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccc(C)cc1 12413576 JBMKWMCVEFIMKX-UHFFFAOYSA-N 419.510 3.710 0 50 HHAA biogenic,in-vitro CN(Cc1ccn[nH]1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12446723 WILPTBITWMNCIF-UHFFFAOYSA-N 418.541 3.768 0 50 HHAA CCn1c(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)nnc1-c1ccco1 17093333 JLRGHIJTMFXKHB-UHFFFAOYSA-N 422.894 3.959 0 50 HHAA Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N[C@](C)(C(=O)O)C(C)C 170592092 OCMNHSDFGLDCMR-IBGZPJMESA-N 411.424 3.666 0 50 HHAA Cc1ccc2c(COC(=O)[C@@H]3CC(=O)N([C@@H]4CCC[C@@H](C)[C@H]4C)C3)cc(=O)oc2c1 230073692 RXAKGOIIRQKABJ-WOCWXWTJSA-N 411.498 3.818 0 50 HHAA Oc1cccc(N2C[C@@H]3[C@@H](C2)[C@@H]2[C@@H]3[C@@H]3C=C[C@H]2[C@@H]2CN(c4cccc(O)c4)C[C@H]32)c1 245239987 JIWQDZWKSMMLQN-NTRMVETHSA-N 400.522 3.965 0 50 HHAA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCO[C@H](c3ccccc3)C2)CC1 245325289 FGBUMEXHLWVKHB-IHPCNDPISA-N 402.535 3.918 0 50 HHAA COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(OC)c(OC)c3)n2)cc1 263617181 MNNYWLVWDPTIRA-QGZVFWFLSA-N 409.442 3.740 0 50 HHAA COc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)c(OC)cc1Br 436058119 JYGUDUIIAPZKJO-UHFFFAOYSA-N 400.294 3.884 0 50 HHAA Cc1cc(CN(CC(C)C)C(=O)c2c(O)cccc2F)nc(N2CCCCC2)n1 436991267 UXPHMQSXSGQDEM-UHFFFAOYSA-N 400.498 3.918 0 50 HHAA O=C(Cc1coc2cc(F)ccc12)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 470233849 MDXOJGDZNFPIDO-IBGZPJMESA-N 416.399 3.700 0 50 HHAA O=C(N[C@@H](C(=O)O)[C@@H](O)Cc1ccccc1)OCC1c2ccccc2-c2ccccc21 722975930 AVWRDMWEWHYRJC-XZOQPEGZSA-N 417.461 3.582 0 50 HHAA O=C(CCNC(=O)c1ccc(F)cc1)Nc1ccc(OC[C@H]2CCCCO2)cc1 952983269 SKKSEXQQBXXQIQ-HXUWFJFHSA-N 400.450 3.532 0 50 HHAA CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1cnc(Cl)c(Cl)c1 1384882042 KOYCYKTZXKKMQR-UHFFFAOYSA-N 410.304 3.975 0 50 HHAA OC(CN1CCCC[C@H]1c1ccc(F)cn1)CN1CCCC[C@H]1c1ccc(F)cn1 2325706473 UBDFEQVTTGYNET-GOTSBHOMSA-N 416.516 3.870 0 50 HHAA CC(C)(C)c1nccc(CCCNC(=O)NCCCc2ccnc(C(C)(C)C)n2)n1 2325732480 NCTVTJHRNIQDCW-UHFFFAOYSA-N 412.582 3.726 0 50 HHAA CCc1cc(C(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2F)C(=O)O)cc2c[nH]nc12 2325877687 XRXVQSMQRBDBEK-HNNXBMFYSA-N 423.366 3.709 0 50 HHAA CCCO[C@@H]1C[C@@H](C(=O)N2CCC3(CC3)C2)CC[C@H]1Nc1ncc(CCC)cn1 2356169089 UQKVCAXNRMDTAD-XUVXKRRUSA-N 400.567 3.817 0 50 HHAA Cc1ccc(CN(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 1015413 DGEFMYYJXOLPFX-UHFFFAOYSA-N 414.571 3.897 0 50 HHAA CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 1062391 GWICTBGYCQWDGW-UHFFFAOYSA-N 400.422 3.663 0 50 HHAA COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1OC 1141832 YUWLVPOQZPVNCW-UHFFFAOYSA-N 404.466 3.929 0 50 HHAA CCOc1cc(C(=O)NC(=S)Nc2ccccc2O)cc(OCC)c1OCC 1181499 LQYRFLZNQZMBNK-UHFFFAOYSA-N 404.488 3.715 0 50 HHAA COCCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)sc2c1CCCC2 2744857 IJOIIEFBUVMNPW-ZDUSSCGKSA-N 421.490 3.975 0 50 HHAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CCCN(CC)C2)CC1 11813463 YLNJHQHDZKABAK-LJQANCHMSA-N 420.981 3.786 0 50 HHAA COCC(=O)Nc1cccc(-c2nc(CNC(=O)c3ccc(C)cc3C)c(C)o2)c1 12202702 WGVMJOJFEXHQRF-UHFFFAOYSA-N 407.470 3.782 0 50 HHAA O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@H](NCCc1ccccc1)CC3 12218735 NCDRVEOQGSNCFJ-GOSISDBHSA-N 416.550 3.591 0 50 HHAA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(OC[C@@]2(C)CCCNC2)nc1 12313896 KKFPLTSNDFGXDL-DEOSSOPVSA-N 404.514 3.671 0 50 HHAA CN(Cc1cc2ccccc2s1)C(=O)c1cn(C[C@H]2COc3ccccc3O2)nn1 12571198 KMUCIEMIJQITRZ-INIZCTEOSA-N 420.494 3.605 0 50 HHAA CCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(OC)cc3)CC2)C1=O 14731901 SQOPJGZICGTZRM-UHFFFAOYSA-N 421.541 3.557 0 50 HHAA COc1cccc(NC(=O)Nc2nnc(Cc3ccc(OC)c(OC)c3)s2)c1 17138095 PRXGLMXRLSHQBG-UHFFFAOYSA-N 400.460 3.799 0 50 HHAA COc1cc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc(OC)c1 20906228 XOBPOBDLJMITKE-FQEVSTJZSA-N 413.537 3.630 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c(C)c1C 22853399 IAUOFQLPOPMPBS-HXUWFJFHSA-N 404.501 3.659 0 50 HHAA O=C(c1c(F)cccc1F)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55035786 GRZCGSZVMIXVJP-SFHVURJKSA-N 403.448 3.531 0 50 HHAA COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)c2ccccc21 225476070 GZRQSBJSAMOMFO-IBGZPJMESA-N 424.522 3.963 0 50 HHAA CCN1C(=S)N[C@H]2c3ccccc3O[C@@]1(C)[C@H]2C(=O)Nc1ccc(Cl)cc1 242498439 HELMWCMSJLOZLM-UWVAXJGDSA-N 401.919 3.955 0 50 HHAA CC(C)C[C@H](C(=O)NC1CCC(C(F)(F)F)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248271034 QDKIIHNRLYKCJJ-SWHNLWLKSA-N 414.468 3.590 0 50 HHAA CCOC(=O)C1=C(CN2CCC[C@H]2c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(C)o1 252457267 RZERJTPZGGSCHA-UGKGYDQZSA-N 423.513 3.905 0 50 HHAA O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1Cc1ccc(F)cc1 299773979 HCHXKLXRIKABNK-QGZVFWFLSA-N 404.869 3.879 0 50 HHAA O[C@@H](c1ccncc1)c1ccc2c(c1)CN(Cc1cc3c(cc1Cl)OCO3)CCO2 299777961 OEPHGLALTUYRHW-QHCPKHFHSA-N 424.884 3.940 0 50 HHAA CC[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCC(F)(F)CC2)C1 1292320185 WXCIYXMTLJFUQB-FQEVSTJZSA-N 409.525 3.966 0 50 HHAA O=C1C[C@H](NC2CCN(c3ccc(F)c(F)c3)CC2)CN1c1ccccc1Cl 1506400141 ANDSEZKTLXNWJG-HNNXBMFYSA-N 405.876 3.982 0 50 HHAA CCCOc1ccc(CN2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)cc1CO 1615739909 ONADHBJRWBIPDM-RDPSFJRHSA-N 406.526 3.551 0 50 HHAA Cn1ccnc1-c1ccccc1C(=O)N1C[C@H]2CCC[C@](O)(c3ccccc3)[C@H]2C1 1704329171 OCAGOCLHWHZKQU-MOADCYBESA-N 401.510 3.847 0 50 HHAA C[C@H](COc1ccc(F)c(F)c1)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 1875257358 YHZYVHGETWAIIP-OAHLLOKOSA-N 403.473 3.542 0 50 HHAA COc1ccccc1OCc1ccc(C(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)cc1 652910 LJFJAJZRFQMHBU-IBGZPJMESA-N 408.376 3.747 0 50 HHAA Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 1110632 ALYGNNQAZNFOPA-CYBMUJFWSA-N 411.321 3.551 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cccc(C)c2C)cc1 1142817 HGMXINSUAODSIM-UHFFFAOYSA-N 400.544 3.820 0 50 HHAA CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2cccc3ccccc23)NC(=O)N1 1190472 HEQLEUFDWUEEBK-JOCHJYFZSA-N 416.433 3.940 0 50 HHAA Cc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2)c(C)c1 1219208 NZAAQJUXPODAQZ-UHFFFAOYSA-N 400.544 3.948 0 50 HHAA O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O 2765921 RJTBEHDMKQEGKJ-LEWJYISDSA-N 401.466 3.823 0 50 HHAA CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(F)cc2C)c2ccccc12 2856242 QNYNNUMJZXUIFQ-UHFFFAOYSA-N 415.442 3.954 0 50 HHAA COC(=O)c1cc(NC(=O)c2ccc(I)cc2)ccc1Cl 2871405 WSGMQFJTMQXRRS-UHFFFAOYSA-N 415.614 3.984 0 50 HHAA Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)c1 8844995 ATCCXFPLFIWCFM-IBGZPJMESA-N 416.525 3.878 0 50 HHAA Cc1nn(C)c(C)c1[C@@H](C)N(C)Cc1cnc(S(=O)(=O)C(C)C)n1CCC(C)C 11819423 OXWNTOKJBZEJLO-QGZVFWFLSA-N 423.627 3.655 0 50 HHAA COc1cccc(-c2cc(CC3(O)CCN(Cc4cccc5c4OCO5)CC3)on2)c1 12315794 NWUYPIGDAYWNEU-UHFFFAOYSA-N 422.481 3.649 0 50 HHAA COc1ccc(Cc2nc3ccc(C(=O)N(C)Cc4cc(C)[nH]n4)cc3o2)cc1OC 12433293 UYUOWQDEXYJNPF-UHFFFAOYSA-N 420.469 3.740 0 50 HHAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CSc2nnc(C)o2)cc1 12577031 NUTKNHJAXVPATL-QGZVFWFLSA-N 411.531 3.794 0 50 HHAA COC(=O)c1ccccc1C(=O)N(C)CC1CCN(CCc2ccccc2OC)CC1 12714111 IEZXIOCWEOEYSA-UHFFFAOYSA-N 424.541 3.509 0 50 HHAA CCOC(=O)N1CCC(NC(=O)c2ccc(-c3cc(C)cs3)nc2N(C)C)CC1 15000530 ZGJBPPSREXZSGQ-UHFFFAOYSA-N 416.547 3.535 0 50 HHAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 15078348 WRZGLTKZVPPUAJ-PEAOBZDDSA-N 412.505 3.755 0 50 HHAA COc1ccc(Cl)cc1C(=O)Nn1c(=S)[nH]c2sc3c(c2c1=O)CCC3 17087808 SQKVSFSGGUQKKT-UHFFFAOYSA-N 407.904 3.655 0 50 HHAA CCc1ccc(CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 19789279 SSGOFUOBNXNZLC-UHFFFAOYSA-N 417.347 3.735 0 50 HHAA OCC[C@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1Cc1ccccc1 23360410 ABXUNKFPSUJBEL-QHCPKHFHSA-N 422.960 3.866 0 50 HHAA CCc1nnc(SCC(=O)N(Cc2cc(OC)ccc2OC)C2CCCC2)o1 55153923 ZKOLQXAKVJTWMT-UHFFFAOYSA-N 405.520 3.713 0 50 HHAA O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)N1CCC[C@@]2(CC=CCC2)C1 170626810 SQJXWXVIBNNCKN-QHCPKHFHSA-N 408.477 3.508 0 50 HHAA CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 239235563 WFWZUJHWDQHSNP-VWEIPLKFSA-N 403.478 3.511 0 50 HHAA CCOC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@H](NC(=O)c1cccc(Br)c1)[C@H](C3)C2 245253993 XTIZQSJHWUWRNY-ISXYMIMESA-N 406.320 3.937 0 50 HHAA COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)cc1OC 263617571 ONGHOXQWUSCHFW-QGZVFWFLSA-N 411.433 3.799 0 50 HHAA Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263618853 VUSWOZNVNZMVFH-MRXNPFEDSA-N 407.493 3.911 0 50 HHAA CC[C@H](C)n1nc(NC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc1C 480358032 RSJSCCQEBYTCSX-HNNXBMFYSA-N 419.489 3.664 0 50 HHAA O=C1Nc2ccccc2[C@H]1C1CCN(c2nc(-c3cccnc3)nc3c2CCC3)CC1 488384071 HJOJKUGNYDAOPM-JOCHJYFZSA-N 411.509 3.980 0 50 HHAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@@H](c2cccnc2)N2CCOCC2)c1 827654473 SEUZICMBYLQVER-JOCHJYFZSA-N 422.529 3.531 0 50 HHAA COc1nc2c(cc1C(=O)N1CCCN(c3nc4ccccc4s3)CC1)CCC2 1506402935 MSXYTKBXDWMXMA-UHFFFAOYSA-N 408.527 3.541 0 50 HHAA COc1cc(OC)c2nc(N3CCC[C@H](c4nnc5ccccn45)C3)cc(C)c2c1 1704336366 MIBQWYCFTMVOEC-INIZCTEOSA-N 403.486 3.987 0 50 HHAA COCC(=O)N1C[C@@H]2CN(Cc3ccc(Cl)s3)C[C@@]2(CCc2ccccc2)C1 1772812534 LFGPWUZICAVTTL-AVRDEDQJSA-N 418.990 3.941 0 50 HHAA CCOc1ccc(CNS(=O)(=O)c2cn(C(C)C)nc2C)c(C(F)(F)F)c1 2325841432 UWWUEDBXXIVGGZ-UHFFFAOYSA-N 405.442 3.668 0 50 HHAA CC(=O)c1cccc(NC(=S)NC(=O)COc2ccc(Br)c(C)c2)c1 675535 VPWFBEJOCXCPBO-UHFFFAOYSA-N 421.316 3.852 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1 786644 TZCIWBLKPOERDI-UHFFFAOYSA-N 417.712 3.507 0 50 HHAA COc1ccc(OCc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1 813708 OYPAXRCCUGCSQK-UHFFFAOYSA-N 416.478 3.581 0 50 HHAA Cc1nn(Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)o2)c(C)c1Br 999853 DKKDSXSFDLJAAX-UHFFFAOYSA-N 418.247 3.885 0 50 HHAA O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 1059056 YIKANVZPYDKBGM-UHFFFAOYSA-N 407.495 3.600 0 50 HHAA CCC(=O)n1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(-c2ccc(F)cc2)n1 1069705 WAGMCPDZAUASTA-WQRHYEAKSA-N 418.453 3.510 0 50 HHAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)CSc1ccc(Cl)cc1 1159174 XFXPIGSKCDPCJK-UHFFFAOYSA-N 410.904 3.652 0 50 HHAA Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCCOc3ccccc3)c2)c(C)c1 2862646 PRYLKSQOARUQLY-UHFFFAOYSA-N 424.522 3.913 0 50 HHAA COc1ccc(-c2csc(NC(=S)NC(=O)/C=C/c3ccco3)n2)cc1OC 2997988 WEOKDHLYLYEXAL-SOFGYWHQSA-N 415.496 3.947 0 50 HHAA CC(C)OC(=O)c1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc(C(=O)OC(C)C)c1 4651255 CDIORBZSJUAOPQ-ZWKOTPCHSA-N 419.474 3.647 0 50 HHAA CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1 4756952 GUJYKLDFHPZWQW-UHFFFAOYSA-N 416.927 3.514 0 50 HHAA COc1cc(S(=O)(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c(C)cc1C 4809177 VMFJTTLAHRFUDD-UHFFFAOYSA-N 408.483 3.823 0 50 HHAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)n1 5497418 JJYSAJDAAKYLAQ-UHFFFAOYSA-N 413.528 3.703 0 50 HHAA O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(NS(=O)(=O)c2ccccc2)nc1 6270619 VXGCGAFNFTUPKZ-UHFFFAOYSA-N 422.388 3.549 0 50 HHAA O=C(NCc1ccccn1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 6403051 PDMAJDJQRYSYBW-UHFFFAOYSA-N 403.389 3.802 0 50 HHAA COc1cccc(-n2cc(CN(C)C(=O)c3cc(Cc4ccc(F)cc4)no3)cn2)c1 11882172 DYIAAEMVOGHNCJ-UHFFFAOYSA-N 420.444 3.871 0 50 HHAA COc1ccc2c(c1)c(C(=O)N[C@H]1CCCc3c1cnn3-c1ccccn1)c(C)n2C 12303472 KFXSGDSMFWQXEI-IBGZPJMESA-N 415.497 3.883 0 50 HHAA CCCCn1c(CN2CCCC[C@H]2CCc2ccccn2)cnc1S(=O)(=O)CC 12307355 HWAISZMQBGHFKU-FQEVSTJZSA-N 418.607 3.859 0 50 HHAA Cn1cc(CN[C@@H](Cn2ccnc2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 12437608 WNXOAYMHTBLUKD-NRFANRHFSA-N 415.497 3.586 0 50 HHAA COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)/C=C/c1cccs1 12454335 OEKBFPDJBPKXGB-WGIDWCPNSA-N 402.903 3.748 0 50 HHAA O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CCc2ccccc2C1 12591619 UYERPBOTZVPKHY-UHFFFAOYSA-N 404.510 3.665 0 50 HHAA CCn1cc(CN(CCOC)C[C@H]2CCCN(C3Cc4ccccc4C3)C2)c(C)n1 12708730 BWGASRSRGOFNDJ-OAQYLSRUSA-N 410.606 3.539 0 50 HHAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(Cc1cccnc1)CC2 14733166 HVVJCFKBYUDLFV-UHFFFAOYSA-N 404.514 3.646 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C 16097065 BVEWIPQIIXKBBQ-UHFFFAOYSA-N 416.524 3.905 0 50 HHAA O=C(NCCCn1ccnc1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 18209943 KOBSNTCMQVRZQT-IRXDYDNUSA-N 418.423 3.560 0 50 HHAA C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 19920724 DMNCYDBTVZYWOX-MRXNPFEDSA-N 403.320 3.561 0 50 HHAA CCN1CCC(N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 20212345 RUGMAWYFZRANSR-QFIPXVFZSA-N 424.555 3.776 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2)CN1Cc1cccc(Cl)c1 32565479 CKEGYIGRVBBALO-RTWAWAEBSA-N 403.929 3.736 0 50 HHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(Cc3cccs3)[C@H](CCO)C2)c1 43083391 IGLVHPCDDMUATD-HXUWFJFHSA-N 410.587 3.824 0 50 HHAA COc1cccc(OCCN2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)c1 54074885 VWMKFNUSFCFMBM-UHFFFAOYSA-N 424.570 3.780 0 50 HHAA Cc1cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc(N2CCCCC2)n1 65364505 GJDXNAVYUBYURK-UHFFFAOYSA-N 414.941 3.783 0 50 HHAA Cc1cccc(CN2CCC(C(=O)N(C)Cc3nc(-c4ccccc4)no3)CC2)c1 67613817 BJXCVOOZKMMRJR-UHFFFAOYSA-N 404.514 3.916 0 50 HHAA CC(C)Cn1ccc2c(NC(=O)CC[C@@H]3NC(=O)N(Cc4ccco4)C3=O)cccc21 170625626 UONFXTOFWCMUFO-IBGZPJMESA-N 422.485 3.730 0 50 HHAA O=C([C@@H]1CSCN1C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)N1CCCC1 170625847 DMVHWCSOYZKUIJ-SFHVURJKSA-N 418.465 3.895 0 50 HHAA O=C(O)c1cc(-c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)nc2ccccc12 239306062 GJLLLDIBBXHCSW-ZYNNUQKQSA-N 410.429 3.912 0 50 HHAA O=C(Nc1cc(F)ccc1C(=O)NCc1noc(-c2ccccc2F)n1)c1ccoc1 252502260 UOWAKLWFOSRIFV-UHFFFAOYSA-N 424.363 3.790 0 50 HHAA Cc1nnn(-c2ccc(NC(=O)[C@H](Sc3nnc(C)s3)c3ccccc3)cc2)n1 252508104 XCWPNWBOGGXXIN-QGZVFWFLSA-N 423.527 3.603 0 50 HHAA C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1 254128338 LOAFSWHUOUKUPQ-HIOPTLFOSA-N 416.521 3.506 0 50 HHAA CC1(C)C=C(CSc2nnc(-c3ccncc3)o2)c2cccc3c2N1C(=O)C3=O 334161313 YWRDUEVJEJSTER-UHFFFAOYSA-N 404.451 3.629 0 50 HHAA O=C(N[C@@H]1CCOc2c1ccc(Cl)c2Cl)c1ccnc(NC(=O)C2CC2)c1 803195153 CYZLGEZEGRTIDP-CQSZACIVSA-N 406.269 3.991 0 50 HHAA CCc1ccc(CN2C[C@@H](C(=O)Nc3cccc(CN4CCCC4)c3)CC2=O)cc1 823517662 WJTPYSBUNHYCOU-QFIPXVFZSA-N 405.542 3.832 0 50 HHAA CC(C)C(=O)Nc1cccc(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1 952983762 QPLPVHMYIRURRG-UHFFFAOYSA-N 421.541 3.792 0 50 HHAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)NCCN1CCCCCC1)C2 1772819968 YXJKULRMLOVKBN-INIZCTEOSA-N 402.564 3.512 0 50 HHAA CCO[C@@H](C)c1nc(-c2cc(=O)c(Br)c[nH]2)n(Cc2ccccc2)n1 1875348664 YKTTZEONJOTKID-LBPRGKRZSA-N 403.280 3.542 0 50 HHAA Cc1nc2cc(C(=O)N3CCC[C@@H]([C@@H]4CCNC4)C3)ccc2n1Cc1ccsc1 1875348942 HSQPJBGSOPBOPP-WOJBJXKFSA-N 408.571 3.916 0 50 HHAA O=C1NC2(CC(c3ccccc3Cl)C2)C(=O)N1c1cc(C(F)(F)F)cnc1O 2325869510 RCGICOPOZIHKND-UHFFFAOYSA-N 411.767 3.832 0 50 HHAA O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 899709 NNOLDPMXORBWNP-UHFFFAOYSA-N 414.914 3.640 0 50 HHAA CCOc1ccccc1N1CCN(C(=O)C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 2828228 MTEFEMYTWMEHFL-OAQYLSRUSA-N 411.590 3.802 0 50 HHAA CC1CCN(S(=O)(=O)c2ccc(NC(=S)NCCc3ccccc3)cc2)CC1 4749285 SKQLRIYEBRLGNW-UHFFFAOYSA-N 417.600 3.636 0 50 HHAA CCN(Cc1ccccc1OCCO)C[C@H]1CCCN(CCc2cccc(F)c2)C1 11878513 JGHVJTJCBLHBRE-JOCHJYFZSA-N 414.565 3.973 0 50 HHAA CCOC(=O)[C@@H]1CCCCN1C(=O)c1csc2nc(-c3cccc(OC)c3)cn12 11932739 LWFVTGHAVVUJHQ-KRWDZBQOSA-N 413.499 3.629 0 50 HHAA CC1=C(C(=O)N2CCC(CCC(=O)Nc3ccc(F)c(Cl)c3)CC2)OCCO1 11951975 HTBSVRIDQMVCQA-UHFFFAOYSA-N 410.873 3.715 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)C2=C(C)OCCO2)C1 11996759 ROZIPCTZIPKOPW-HNNXBMFYSA-N 422.909 3.584 0 50 HHAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(Cl)c2)CC1 12112097 VAQFHYQQIMVYPT-OAQYLSRUSA-N 419.997 3.502 0 50 HHAA CCc1ccc(CN(C)Cc2cccc(OC[C@H](O)CN3CCCCCC3)c2)nc1 12318598 IALIRZZGQASOCF-XMMPIXPASA-N 411.590 3.892 0 50 HHAA CCc1ccc(CN(C)C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)nc1 12320412 DLCSTKGHABVGHH-UHFFFAOYSA-N 417.513 3.885 0 50 HHAA COc1ccc(CCc2nnc(CCC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)o2)cc1 12706893 FTTXSQXASDXFOV-LJQANCHMSA-N 423.488 3.951 0 50 HHAA COc1ccc(OC)c(CN2CCN(C(=O)Nc3cccc(SC)c3)CC2)c1 13320014 CRVXBBGIPCJVAO-UHFFFAOYSA-N 401.532 3.775 0 50 HHAA C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 13708636 HYGTUTBAIXPDAG-KRWDZBQOSA-N 404.466 3.718 0 50 HHAA COc1cc(C[C@@]2(CCC(=O)N[C@@H]3CCCc4ccccc43)CCC(=O)N2)ccc1F 14965105 KCEWKDGSVUALEE-PXDATVDWSA-N 424.516 4.000 0 50 HHAA CCn1c2ccccc2c2cc(CN3CCC([C@@]4(C)NC(=O)NC4=O)CC3)ccc21 14996634 HQYHTFVEUQPEBK-XMMPIXPASA-N 404.514 3.625 0 50 HHAA CCOc1ccc(-c2nc(CN3CCNC(=O)[C@@H]3Cc3ccccc3)c(C)o2)cc1 39445354 HVFYYGFVMMZLAP-QFIPXVFZSA-N 405.498 3.592 0 50 HHAA COc1cc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)c(OC)cc1Cl 52537728 QMRBPBVKQOMMBJ-UHFFFAOYSA-N 424.328 3.771 0 50 HHAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)n1 72437558 UYPUKQKCRHPXFU-UHFFFAOYSA-N 408.550 3.746 0 50 HHAA CC(C)(NC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)c1ccccc1 82137205 MNXOOURNQVKVFP-QFIPXVFZSA-N 420.601 3.810 0 50 HHAA CN1CCN(C(=O)c2ccc(Nc3nccc(-c4cccs4)n3)cc2Cl)CC1 95911067 CLDIUVXCUVQLGD-UHFFFAOYSA-N 413.934 3.990 0 50 HHAA in-vitro CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(F)c(Cl)c1 225518632 VSUKLVKOGNDEHO-GOSISDBHSA-N 409.870 3.548 0 50 HHAA CCn1cc(CN2CCOc3ccc(CN(C)CCc4ccccn4)cc3C2)c(C)n1 299781014 WFCQYHAUKYHBFT-UHFFFAOYSA-N 419.573 3.676 0 50 HHAA Cn1c(CNC(=O)C2CCN(Cc3ccco3)CC2)nc2cc(C(F)(F)F)ccc21 827758346 XBRAJCYYDCPODI-UHFFFAOYSA-N 420.435 3.714 0 50 HHAA COc1ccc(-c2noc(-c3cc(Br)cc4nc(O)[nH]c34)n2)cc1OC 904280322 TWWLANCOOIFVKF-UHFFFAOYSA-N 417.219 3.765 0 50 HHAA Cc1ccccc1-c1noc(CCC(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)n1 952987574 NFUJXMACGOXWPO-IBGZPJMESA-N 406.486 3.580 0 50 HHAA CC(C)(O)CCc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)cc1 1704280232 XBXQMWQVCSOOHY-ZJSXRUAMSA-N 418.537 3.926 0 50 HHAA Cc1noc(C)c1CC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704300432 VRBQPSJATXIRAY-XMMPIXPASA-N 402.498 3.798 0 50 HHAA COc1c(C(=O)O)cc(-c2cc(OC)c3oc(C(=O)O)cc3c2)c(OC)c1OC 1875245105 KHCUNNDCVIZIBR-UHFFFAOYSA-N 402.355 3.531 0 50 HHAA CN(C)c1noc([C@H]2CCCN2CC(=O)N2c3ccccc3CCc3ccccc32)n1 2325703152 VEBLBTFYPXVATB-OAQYLSRUSA-N 417.513 3.736 0 50 HHAA CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)C(=O)c1cnc(N)c(Cl)c1 2325725118 MEZZHJXJXHIKMU-UHFFFAOYSA-N 406.273 3.672 0 50 HHAA CCCN1CCC[C@]2(CCCN2Cc2ccc(OC)c(CN(CC)CC)c2)C1=O 2356166542 BYDIJNGULVPTAR-DEOSSOPVSA-N 401.595 3.904 0 50 HHAA COC(=O)c1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 629803 QOQWOEKMXOENCO-BWWMBTDCSA-N 409.441 3.870 0 50 HHAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OC1CCCC1 1122903 WNNPKLXGQUINEI-INIZCTEOSA-N 409.280 3.571 0 50 HHAA CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1 1167598 XWWHJVFNRRAPJL-AWEZNQCLSA-N 410.923 3.840 0 50 HHAA O=c1c2ccccc2ncn1CCCCOc1ccc(I)cc1 2863289 SUPIGFWTGFBUGO-UHFFFAOYSA-N 420.250 3.860 0 50 HHAA CC[C@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 2994496 QXGYSMYXEACDCO-AWEZNQCLSA-N 412.914 3.585 0 50 HHAA O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc(Br)c1 4716468 PWXLTTJMHPVJHH-UHFFFAOYSA-N 403.122 3.912 0 50 HHAA C[C@]1(C(=O)Nc2nnc(SCc3ccccc3)s2)Cc2ccccc2C(=O)O1 9319848 WZCZEUYRKPERDX-HXUWFJFHSA-N 411.508 3.941 0 50 HHAA Cc1nc(C)c(CN2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)nc1C 11753659 CFQUNHNXDRHOKA-JOCHJYFZSA-N 404.518 3.581 0 50 HHAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)CCc4ccccn4)C3)C2)c1OC 11933412 WTQYFIMKLDVEAT-VWLOTQADSA-N 423.557 3.546 0 50 HHAA CSc1ncccc1C(=O)NC[C@@H]1Cc2cc(-c3nc(C)cnc3C)ccc2O1 11996114 WSVSANCIFXZWSB-KRWDZBQOSA-N 406.511 3.611 0 50 HHAA Cc1csc(NC(=O)[C@@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)n1 12001077 HXOFVTYGVUZSNA-OAHLLOKOSA-N 407.499 3.769 0 50 HHAA COC(=O)c1ccccc1C(=O)N(C)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 12578037 GAZUVUQKVUUQRW-IBGZPJMESA-N 412.505 3.639 0 50 HHAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC[C@H](C(N)=O)C1 12595124 AVIXWNUGZDCXHI-INIZCTEOSA-N 410.468 3.823 0 50 HHAA CN(CCOc1ccccc1)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 15073803 AYFRXAOXLAIQSW-LJQANCHMSA-N 414.933 3.659 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3C)n2)ccc1C 16624891 MXGBNLLTLVVGNO-INIZCTEOSA-N 404.470 3.685 0 50 HHAA O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCN(C2CCCC2)CC1 67434618 OCNHPOWBPVUGFN-UHFFFAOYSA-N 409.530 3.833 0 50 HHAA CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n2CCN1C(=O)CN 84687267 BUPRVECGWBHCQV-UHFFFAOYSA-N 411.456 3.608 0 50 HHAA Clc1ccccc1[C@H]1Cn2nnc(-c3noc(-c4cc(C5CC5)n[nH]4)n3)c2CO1 169769448 MCMKBRBJONJWLN-MRXNPFEDSA-N 409.837 3.521 0 50 HHAA O=C(c1cccc(OCC(F)(F)F)n1)N1CCC(c2c[nH]c3ncccc23)CC1 170635344 SCBXIPLUVYBLHL-UHFFFAOYSA-N 404.392 3.919 0 50 HHAA O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CC(O)(c2ccc(F)cc2)C1 252494069 NKECSYULZAFBKY-SFHVURJKSA-N 400.450 3.509 0 50 HHAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC12CCN(Cc1ccc3c(c1)CCO3)CC2 299794055 IZLYMFGBCICAKV-LJQANCHMSA-N 406.482 3.591 0 50 HHAA CC[C@H](NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)c1ncc(C)[nH]1 426527686 FYPIQHOEZZRWQI-SFHVURJKSA-N 413.547 3.824 0 50 HHAA O=C(NCCN1CCCC[C@@H]1CO)c1ccccc1SCc1ccc(F)cc1 670473389 MVCVYKBXPNDQLF-LJQANCHMSA-N 402.535 3.695 0 50 HHAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccc(C)cc3OC)CC1)OCC2 1704299242 GRRTWOFLJCNMPV-UHFFFAOYSA-N 411.498 3.725 0 50 HHAA CCC[C@H](C(=O)N1CCC2(CC1)OCCc1cc(OC)c(OC)cc12)n1cccc1 1704325800 SDBSPWHQLKUTKV-HXUWFJFHSA-N 412.530 3.937 0 50 HHAA O=C(c1ccccc1OC(F)(F)C(F)F)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 1857729259 BUMYJTOYXVIARQ-FMKPAKJESA-N 400.416 3.870 0 50 HHAA Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCc1ncc(-c2ccccc2)s1 1875265504 KENWBUZQYJDEMX-WQRHYEAKSA-N 421.457 3.986 0 50 HHAA Cc1cncc(CC(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)c4ccc(C)cc4C)C3)C2)c1 1875361655 YAMKVLVOKOCGPF-PKTZIBPZSA-N 419.569 3.950 0 50 HHAA COc1cccc(OC)c1C(=O)N1CCC[C@]12CCCN(c1ccc(C)cc1)C2=O 2356164527 WIJIGEKQLURLAV-DEOSSOPVSA-N 408.498 3.814 0 50 HHAA COc1cc(OC)c([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c(OC)c1 684049 NPGOEIZCXRECDZ-GOSISDBHSA-N 412.471 3.789 0 50 HHAA CCOc1cc(C)ccc1OCc1nnc(SCC(=O)NC2CCCCC2)n1C 1122145 JMCKWYNLWPHWNP-UHFFFAOYSA-N 418.563 3.642 0 50 HHAA COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 1206837 PRJADSJRPHOCES-VGOFMYFVSA-N 400.500 3.522 0 50 HHAA CCOc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccc3ccccc3c2)cc1OC 3622917 SZQXQHPFXQKHLB-HXUWFJFHSA-N 423.465 3.958 0 50 HHAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cccc(Br)c2)NC(=S)N1 4806957 GSTOFBBMTINCGD-QGZVFWFLSA-N 416.344 3.558 0 50 HHAA Cc1nc2ccc(C(=O)N3CCC(CCC(=O)NCc4ccc(F)cc4)CC3)cc2[nH]1 11936487 XSACAZUMGFHUTQ-UHFFFAOYSA-N 422.504 3.959 0 50 HHAA COc1ccc(-c2noc(CN(C)CCOc3ccc(C)cc3)n2)c(OC)c1OC 12001470 GOGZUZAJCCZIJG-UHFFFAOYSA-N 413.474 3.582 0 50 HHAA Cc1ccn(CCC(=O)NC[C@H]2Cc3cc(F)cc(-c4ccc(F)c(C)c4)c3O2)n1 12077947 ZPXCVKJBEQBISF-LJQANCHMSA-N 411.452 3.955 0 50 HHAA C[C@@H](Sc1nc(O)c(-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 13496811 OGETWRVLVJZZOE-LLVKDONJSA-N 401.875 3.915 0 50 HHAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)C(=O)c2ccccc2)C1 15064758 RMYYGXLHVSLSFR-QHCPKHFHSA-N 413.901 3.937 0 50 HHAA COc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1OC 19782006 AQACFEZZRVCAJI-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA COc1ccc(C(=O)COc2ccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)cc2)cc1 100911344 FHQNHOPKQCMTDK-NHCUHLMSSA-N 405.450 3.803 0 50 HHAA Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccccc3C(C)C)C3=C2C(=O)OC3)cc1 169757996 XNPIDLXUDFYIDD-JOCHJYFZSA-N 419.481 3.634 0 50 HHAA CCOc1ccc(-c2cn(C3CN(C(=O)CCc4c[nH]c5ccccc45)C3)nn2)cc1 170593247 UNIQUQCDWAVEAO-UHFFFAOYSA-N 415.497 3.841 0 50 HHAA O=C(Nc1ccc(Cl)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)CC1 239159676 MOZWIIKZGVFYHI-BFLPPAKKSA-N 424.928 3.890 0 50 HHAA CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257358361 SZTAYWGUFKACAE-CFRYJQDFSA-N 408.510 3.552 0 50 HHAA CC(C)(C)[C@@H](NS(=O)(=O)c1cnc2n1CCC2)c1cccc(C(F)(F)F)c1 475800764 VVRNVHZLNQUGPY-INIZCTEOSA-N 401.454 3.914 0 50 HHAA O=C(Nc1ccc(OC[C@H]2CCCCO2)cc1)C1(N2CCOCC2)CCCCC1 827661381 VUQIQFQYYZMESG-OAQYLSRUSA-N 402.535 3.608 0 50 HHAA COc1ccc(CCN(Cc2ccncc2)C(=O)c2cc(Cl)cn2C)cc1OC 952976550 FVJFMSTWTOPOTL-UHFFFAOYSA-N 413.905 3.976 0 50 HHAA O=C(CCC(=O)N1CCC[C@@H](C(=O)CCc2ccccc2)C1)Nc1cccc(F)c1 1506419110 XUQASRUAHQZDDG-LJQANCHMSA-N 410.489 3.985 0 50 HHAA O=C(CNC(=O)c1cc(C(F)(F)F)ccc1SC1CCCC1)Nc1cn[nH]c1 1875259226 HORJICOKIPBROT-UHFFFAOYSA-N 412.437 3.832 0 50 HHAA COc1cccc(C(=O)NC2CCN(c3nccc(Oc4ccccc4)n3)CC2)c1 2325746768 QHHMEDOLZKSFPN-UHFFFAOYSA-N 404.470 3.676 0 50 HHAA Cc1cnnc(-c2ccc(C(=O)N[C@H]3CCCN(Cc4cccnc4)C3)cc2)c1C 2356134042 UVTOHDYPHLSTOZ-QFIPXVFZSA-N 401.514 3.550 0 50 HHAA N=c1[nH]nc(-c2ccc(-c3ccc(C(=O)N4CCC[C@H]4c4cccnc4)cc3)o2)[nH]1 2356153821 WMZUJJSHHBCPOM-KRWDZBQOSA-N 400.442 3.517 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 917343 MUFUGPIPNGPBCH-UHFFFAOYSA-N 422.506 3.627 0 50 HHAA Cc1ccccc1OCCn1cc(C(=S)N2CCC(C(N)=O)CC2)c2ccccc21 1108517 NEOFXNCOBROXHJ-UHFFFAOYSA-N 421.566 3.902 0 50 HHAA Cc1ccc(OCCOCCN2CCC(C)CC2)c(I)c1 2955917 UXCTYFGTSBTYDE-UHFFFAOYSA-N 403.304 3.727 0 50 HHAA COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2ccccc2C(=O)O)cc1 4652683 OSMCMVUCBQXDRB-QNGOZBTKSA-N 416.433 3.803 0 50 HHAA Cc1c(C(=O)N(C)C[C@@H](O)c2ccccc2)cnn1-c1nccc(-c2cccs2)n1 15067098 XTXMEOGXPNFRFA-LJQANCHMSA-N 419.510 3.505 0 50 HHAA CC(C)C1=NO[C@H](C(=O)N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)C1 20599047 FFFHGJMJCMXNIF-SFHVURJKSA-N 412.452 3.650 0 50 HHAA C[C@H](C(=O)Nc1ccc(F)cc1F)n1ccc(C(=O)Nc2ccc(F)cc2F)n1 20617301 KWLQQSUJHYHCTD-SNVBAGLBSA-N 406.339 3.892 0 50 HHAA Cn1ccnc1-c1ccccc1C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1 55403723 LQKGJAYDTHAEHR-UHFFFAOYSA-N 424.504 3.723 0 50 HHAA COc1ccc2ccc(OCc3nc(C(=O)N4CCC[C@@](C)(CO)C4)co3)cc2c1 67850886 LSXHUDYDINAXKG-HSZRJFAPSA-N 410.470 3.650 0 50 HHAA Cc1ccc(Nc2ccc(NCCNC(=O)c3c(F)cccc3Cl)nn2)nc1 82230227 GNLXSOKAKWVOQT-UHFFFAOYSA-N 400.845 3.558 0 50 HHAA O=C(c1ccccc1Cl)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101282833 MXOPGELMGWMTLK-WZBLMQSHSA-N 424.859 3.844 0 50 HHAA COC(CCCC(C)(C)CNS(=O)(=O)c1sccc1Br)OC 170618789 QDZZMGWCJCRUBP-UHFFFAOYSA-N 414.387 3.604 0 50 HHAA Cc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 239038977 FFOCRYAYFPOZSH-RTOMLYRKSA-N 416.521 3.884 0 50 HHAA CCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 245256950 UNJYTPNGOZQTFM-GTAWCEEGSA-N 406.507 3.616 0 50 HHAA COc1cc2c(OCc3cc(C)no3)c(I)cnc2cc1F 252506915 WDDLPEYGAWYUIG-UHFFFAOYSA-N 414.174 3.863 0 50 HHAA CC1(C)Cc2cccc(S(=O)(=O)Nc3ccccc3-c3n[nH]c(C4CC4)n3)c2O1 443410602 NZBVUZPFDILQJY-UHFFFAOYSA-N 410.499 3.863 0 50 HHAA O=C(c1cccc(O)c1)N1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 1321368342 DWMUALTZESRZNA-UHFFFAOYSA-N 417.465 3.523 0 50 HHAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1529158745 KJEZUKNXSXBZPE-XMSQKQJNSA-N 406.530 3.637 0 50 HHAA COc1cc2oc(-c3ccccc3)c(CC(=O)N3CCOCC3)c2c(OC)c1OC 1848444109 KOUTZUBTRJEWAW-UHFFFAOYSA-N 411.454 3.527 0 50 HHAA COCC1(C(=O)N2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)CC1 1857697302 ODHSHFUGBKYCLX-JOCHJYFZSA-N 414.590 3.902 0 50 HHAA COc1ccccc1CCC(=O)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857698282 JRTPVUKMVSRJIF-FYYLOGMGSA-N 409.526 3.902 0 50 HHAA Cc1oc(CNS(C)(=O)=O)cc1C(=O)N1CCc2c(-c3ccccc3)cccc21 1875260729 GFQQCGVLCKPYLM-UHFFFAOYSA-N 410.495 3.507 0 50 HHAA CCOC(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 626457 NDGCBVCMJWYQNM-IBGZPJMESA-N 408.454 3.513 0 50 HHAA O=C(NC(=S)Nc1ccccc1F)c1ccccc1I 724691 IDQNRCBRERABLN-UHFFFAOYSA-N 400.216 3.557 0 50 HHAA O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 1095628 QWOYGAZMDDEGML-GOSISDBHSA-N 415.902 3.680 0 50 HHAA COc1ccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)cc1 1179243 BGRQQJUFBHQDJD-UHFFFAOYSA-N 411.487 3.989 0 50 HHAA C[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CCOCC2)C1 1212918 MDGYVPJWILNQBB-ZDUSSCGKSA-N 402.491 3.737 0 50 HHAA CSCC[C@@H](C(=O)N1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 2072000 WRFQDQIWGURORS-HNNXBMFYSA-N 415.342 3.724 0 50 HHAA Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2780721 JKZKPKJKDHWXMT-WCBMZHEXSA-N 403.836 3.913 0 50 HHAA COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(I)cc2)c1 2884498 GAXMGJWVNVXFLG-UHFFFAOYSA-N 415.614 3.984 0 50 HHAA CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)CC1 4058208 GUGSAGLBZLYZFW-UHFFFAOYSA-N 422.312 3.679 0 50 HHAA CCOc1cccc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(=O)oc12 4413183 DJLBXIFRIGCGFZ-UHFFFAOYSA-N 412.873 3.808 0 50 HHAA COCc1ccc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)o1 12054824 WFYLTHKFLRXRSB-JOCHJYFZSA-N 404.457 3.833 0 50 HHAA COC(=O)c1ccc(-c2noc(CN3CCC[C@H](C(=O)Cc4ccccc4)C3)n2)cc1 12314403 NUTPFWFBSJRZBF-FQEVSTJZSA-N 419.481 3.547 0 50 HHAA Cc1ccc(-n2ncc3c2CCC[C@H]3NCc2cnc(N3CCOCC3)s2)cc1C 12589817 OHHNYVVZHQDBPB-OAQYLSRUSA-N 423.586 3.949 0 50 HHAA Cc1ccc([C@@H](C)CCN2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)o1 14748277 PUNKYBXDPMHCBG-KRWDZBQOSA-N 406.530 3.803 0 50 HHAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)CCN1CCCCC1=O 14981152 XVOZEMMNYNNLGF-IBGZPJMESA-N 408.546 3.713 0 50 HHAA O=[S@](C[C@H](O)COc1c(F)c(F)c(F)c(F)c1F)c1nc2ccccc2s1 15930996 HRYQOZQMLPHROP-RMSCKQAGSA-N 423.384 3.539 0 50 HHAA CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1ccccc1)C3 20110064 KUDKJKRGDLBESN-SFHVURJKSA-N 411.571 3.920 0 50 HHAA COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1C 55054531 NWXPHGIVOQGAHE-FQEVSTJZSA-N 411.521 3.570 0 50 HHAA FC(F)(F)c1cccc(-c2noc(-c3ccc(NCCN4CCOCC4)nc3)n2)c1 72433750 FSIGVELUJWCXOW-UHFFFAOYSA-N 419.407 3.562 0 50 HHAA OCCC[C@@H]1CN(Cc2ccc(-c3ccccc3)s2)CC[C@@H]1N1CCOCC1 95380099 HNSAMCRSRPXWMC-IRLDBZIGSA-N 400.588 3.710 0 50 HHAA COc1cc(/C=C/C(=O)N2CC[C@H](OCc3ccncc3)C2)cc(Cl)c1OC 170627281 UXXOIAHXDHYNCV-IDOMTICXSA-N 402.878 3.583 0 50 HHAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(Cl)c1 229923413 VKWSFDREYVMNBZ-FZKCQIBNSA-N 414.889 3.699 0 50 HHAA Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 239403105 RMWSJUFPGVUPNV-PXVQWCDCSA-N 414.505 3.660 0 50 HHAA Ic1cnc(CN2CCO[C@@H](CCc3ccccc3)C2)s1 241157231 JVXSLSMGMOCDJK-AWEZNQCLSA-N 414.312 3.581 0 50 HHAA Oc1cccc(N2C[C@H]3[C@@H]4C=C[C@H]([C@H]3C2)[C@@H]2[C@H]4[C@@H]3CN(c4cccc(O)c4)C[C@@H]32)c1 245239985 JIWQDZWKSMMLQN-LWGLOODYSA-N 400.522 3.965 0 50 HHAA COc1cccc(C(=O)Cn2cc(-c3cccc(Br)c3)n(C)c2=N)c1 334157530 HCCGZWGNEWBUMT-UHFFFAOYSA-N 400.276 3.627 0 50 HHAA C[C@H](c1ccncc1)N1CCC(NC(=O)Cc2cccc(Br)c2)CC1 439772504 WOPPSPJUCMZXHD-OAHLLOKOSA-N 402.336 3.728 0 50 HHAA O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1cccc(N2CCNC2=O)c1 828314690 MJESAIFPHUGRMP-QFIPXVFZSA-N 406.530 3.563 0 50 HHAA CCOc1ccc(N(C(=O)[C@@H]2CCCS2(=O)=O)c2nc3ccccc3s2)cc1 1350597570 BKFHZCDOGANLNU-SFHVURJKSA-N 416.524 3.937 0 50 HHAA COCCc1noc([C@H]2CCCN(C3CCN(c4ccc(F)cc4C)CC3)C2)n1 1506404218 BMDWNTHQHWIDOT-KRWDZBQOSA-N 402.514 3.554 0 50 HHAA C[C@H](NC(=O)N[C@@H](C(=O)O)[C@@H]1CCCOC1)c1ccc(-c2ccc(F)cc2)cc1 1776004230 IGJSGHPYGLFICS-BOUXLOLZSA-N 400.450 3.733 0 50 HHAA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)NC[C@H]1CC(=O)Nc2ccccc21 1875263324 CLDLYPKAJPEMDH-UTKZUKDTSA-N 413.493 3.653 0 50 HHAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(-c4ccccc4Cl)oc3C)C[C@@H]2O)on1 2100539756 WYLKPKVBNVILRP-KUHUBIRLSA-N 400.862 3.880 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)CC1 2325889447 QZMMCCBGCKZTAL-KRWDZBQOSA-N 421.335 3.546 0 50 HHAA O=C(c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCOCC1 865861 ZBXNOESVSIPKMA-KOLCDFICSA-N 420.844 3.731 0 50 HHAA O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 1051754 ZCZNYHCZBXTULV-OAHLLOKOSA-N 409.294 3.997 0 50 HHAA CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(OC(=O)c2ccccc2F)cc1 1090441 QBHXJZFDHNZKJN-UHFFFAOYSA-N 410.426 3.630 0 50 HHAA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1C 2800969 AZGPUABLWBGKKR-LJQANCHMSA-N 400.862 3.932 0 50 HHAA COc1ccccc1/C=C/[C@@H]1C(C(=O)OCC(C)C)=C(C)N=C2SCCC(=O)N21 3640331 ASGZOHIKTAMBGT-OAGJVSPASA-N 414.527 3.885 0 50 HHAA CCOc1ccc2nc(N3C[C@H](C(=O)OCc4ccccc4F)CC3=O)sc2c1 4809599 YNLYUQZSJNORGY-CQSZACIVSA-N 414.458 3.930 0 50 HHAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3CCCn3cccn3)cc2)n1 11838297 OMJHYCVNKAQONC-QFIPXVFZSA-N 406.534 3.569 0 50 HHAA Cc1cnc(C)c(-c2cccc3c2O[C@H](CNC(=O)c2ccc4nc(C)[nH]c4c2)C3)n1 12047976 TUTUVULXVMJIQY-SFHVURJKSA-N 413.481 3.679 0 50 HHAA Cc1ncc(CN2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)n1C 12197225 CUVIFFLGVUQQLZ-SFHVURJKSA-N 405.502 3.767 0 50 HHAA COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@@H](C)Cc2cccnc2)no1 12303903 SOZWQAUJGSJSBW-ZDUSSCGKSA-N 401.850 3.672 0 50 HHAA COc1cc(-c2n[nH]cc2CN2CCCC[C@@H]2c2nccn2C)cc(OC)c1OC 12317726 JGSGHOOJNRUFRF-QGZVFWFLSA-N 411.506 3.563 0 50 HHAA COC(=O)c1ccccc1C(=O)N(C)CC1CCN(CCc2ccccc2F)CC1 12456886 SIHVQVMAUPVIEH-UHFFFAOYSA-N 412.505 3.639 0 50 HHAA CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)CN1CCCCCC1 12572628 CUUJOQNPEPKGBP-OAQYLSRUSA-N 406.014 3.929 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCCc1ccccc1F)C2 14539940 QOZIIAMJDGWBMX-LJQANCHMSA-N 412.553 3.748 0 50 HHAA CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(O)cc3)CC2)C1=O 14733158 NNUHDZLTNDQLHG-UHFFFAOYSA-N 421.541 3.642 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCCc1cccc(OC)c1)C2 14743086 SBDKQRYSQDDSFE-HXUWFJFHSA-N 424.589 3.617 0 50 HHAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1cccc3ccccc13)C(=O)N2CCOC 14754675 XXCXDUZZRGBXQW-LJQANCHMSA-N 423.557 3.884 0 50 HHAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(Cc2cc(C)c(C)cc2C)CCO3)CC1 14990409 BHAKRQUQLRROSR-UHFFFAOYSA-N 421.585 3.671 0 50 HHAA S=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccc(Cl)cc2)CC1 20457817 IRUFCWOTRXUZNS-UHFFFAOYSA-N 403.935 3.626 0 50 HHAA O=C(c1ccncc1)N1CC[C@H]2[C@@H](CCCN2C(=O)/C=C/c2ccccc2Cl)C1 43619453 BZAHWPONERRQMA-QGELVWPYSA-N 409.917 3.902 0 50 HHAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67867851 XLPVHYOWKLMQHX-CYBMUJFWSA-N 400.841 3.577 0 50 HHAA CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(C)nn2C)cc1 225718829 QATPUUUSPVCLOY-HXUWFJFHSA-N 412.534 3.725 0 50 HHAA CCCc1ccc(-c2nc(NC(=O)[C@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)sc2C)cc1 245227339 CXUDFBFMYVQCIC-QBPKDAKJSA-N 400.500 3.888 0 50 HHAA O=C1c2ccccc2C(=O)N1[C@H](Cc1ccccc1)c1nc2c3ccccc3ncn2n1 252483435 FBNXIWSNGNABPA-OAQYLSRUSA-N 419.444 3.858 0 50 HHAA O=C(C1CCN(c2noc3ccc(Cl)cc23)CC1)N1CC[C@@H]([C@@H]2CCOC2)C1 486800094 WTXOVLVMEUSFDV-HZPDHXFCSA-N 403.910 3.583 0 50 HHAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 772239255 ZWUNGMYIAFVWCJ-HNNXBMFYSA-N 423.460 3.984 0 50 HHAA C[C@@](O)(CN1CCc2c(Cl)cc(Cl)cc2C1)c1ccc(S(C)(=O)=O)cc1 777603549 AOVLISUAIYZCRK-LJQANCHMSA-N 414.354 3.663 0 50 HHAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NC1CCN(C4CCSCC4)CC1)(C3)C2 1506427652 RPDKFLIWAMRHRE-FJTGNWTPSA-N 406.636 3.574 0 50 HHAA CCOc1cc2c(cc1CN1CCC[C@]3(CCc4cnc(N(C)C)nc43)C1)CCC2 1704303726 BAEFPQWRNBNNAJ-VWLOTQADSA-N 406.574 3.910 0 50 HHAA COc1ccc2oc(N3CCC[C@@H](CC(=O)N(C)Cc4cccc(O)c4)C3)nc2c1 1857671562 VIWSKMHQDTURFO-KRWDZBQOSA-N 409.486 3.807 0 50 HHAA COc1cc(Cl)cc2cc(C(=O)N3CCN(c4ccc(F)cn4)[C@@H](C)C3)oc12 1857698337 LYVQYGGVZNFOGQ-LBPRGKRZSA-N 403.841 3.980 0 50 HHAA O=C(N[C@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1)c1ccccc1 1875263272 NMYZAHSCUCJDSZ-INIZCTEOSA-N 413.403 3.566 0 50 HHAA C=CC(=O)N1CCC[C@@H](C(=O)N2Cc3cccc(Br)c3C[C@@H]2CC)C1 1875371799 MKHOEBZPXAPNAC-CVEARBPZSA-N 405.336 3.537 0 50 HHAA COC(=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 1903846772 DLYVTEULDNMQAR-FHTKOCPXSA-N 422.606 3.537 0 50 HHAA Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1I 675357 KVVSGLXUUADCAZ-UHFFFAOYSA-N 414.268 3.629 0 50 HHAA O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cncc(Br)c1 977582 BQAPLDYHNMQWFT-UHFFFAOYSA-N 404.211 3.990 0 50 HHAA O=C(Nc1ccc(Br)cn1)c1ccc(COc2ccc3c(c2)OCO3)o1 2777661 BMRCQSFWLAYTHO-UHFFFAOYSA-N 417.215 3.997 0 50 HHAA COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc12 4027376 CPZCWDVKIGXKBZ-UHFFFAOYSA-N 414.410 3.781 0 50 HHAA biogenic CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CN1CCCC1 4276594 OELCMAXPWZPJQK-UHFFFAOYSA-N 418.515 3.643 0 50 HHAA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 4756970 SJFJFIPLPYWPAS-UHFFFAOYSA-N 406.507 3.994 0 50 HHAA Cc1ccc(CN(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 4833555 NVJDRTRAEXTHDC-UHFFFAOYSA-N 420.962 3.852 0 50 HHAA NC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccccc1OCc1ccccc1 5027759 DQTVTAWLVMWQPC-JOCHJYFZSA-N 415.518 3.681 0 50 HHAA Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)o1 11753625 QQYYECIHGWLZEE-CYBMUJFWSA-N 413.421 3.610 0 50 HHAA Cc1noc(C)c1CC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2Cl)C1 12023408 NNNPPOBXPZKMNV-KRWDZBQOSA-N 417.937 3.823 0 50 HHAA C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCC(=O)N(CCN2CCCCC2)CC1 12244295 XQAWXXOXHMWXDQ-GOSISDBHSA-N 411.512 3.657 0 50 HHAA Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCCC2=CCCCC2)C4)cn1 12279366 BFSVUZUCVSYZFL-SFHVURJKSA-N 423.586 3.577 0 50 HHAA COCC(=O)N1CCC(Oc2ccccc2C(=O)NC2CCCCCCC2)CC1 12431359 VETPMSIFJTYIIX-UHFFFAOYSA-N 402.535 3.546 0 50 HHAA COc1cc(C)ccc1OCc1cc(C(=O)N2CCN(C3CCCCC3)CC2)no1 12576815 VYLWYOFTSUTHAG-UHFFFAOYSA-N 413.518 3.661 0 50 HHAA CCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(C)cc3)CC2)C1=O 14532652 HJTHUHSVTUXJBS-UHFFFAOYSA-N 405.542 3.856 0 50 HHAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1ccc(Cl)s1)C2 14744179 VSLOJYRHNCMANC-CQSZACIVSA-N 406.983 3.798 0 50 HHAA Cc1ccc(CNCc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)o1 15064229 DPACQDWFZBUUTL-UHFFFAOYSA-N 408.527 3.902 0 50 HHAA COc1cc(C)ccc1OCc1cc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)no1 15065704 ZXLSXKZJILGQRS-GOSISDBHSA-N 421.375 3.999 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(C[C@@H]3CC=CCC3)CC2)c(Cl)c1 15070601 TWMHQIODQUHYQX-QGZVFWFLSA-N 406.954 3.916 0 50 HHAA O=S(=O)(c1ccccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20234719 ZUSKMLKGTKVOJR-UHFFFAOYSA-N 410.514 3.922 0 50 HHAA COc1ccccc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccc(F)c(F)c1 20271440 ZWZJBNGAAWYFDQ-INIZCTEOSA-N 400.425 3.854 0 50 HHAA O=C(Nc1ccc2c(c1)CN(Cc1cccn1-c1ccccn1)CC2)[C@@H]1CCCO1 20451224 GEEAYAFAXYBECL-QFIPXVFZSA-N 402.498 3.548 0 50 HHAA Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1C 20778333 HEMUQYAYZQYXFK-UHFFFAOYSA-N 423.605 3.501 0 50 HHAA O=C1CCC2(CCN(c3ncccc3C(F)(F)F)CC2)CN1Cc1ccncc1 91304193 XLVKQBXUCGHVRW-UHFFFAOYSA-N 404.436 3.905 0 50 HHAA CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)CC1 95630465 MRECHDRIOBTOBZ-OAHLLOKOSA-N 419.513 3.620 0 50 HHAA Cn1c(-c2ccc(NC(=O)Cn3c(=O)n(C)c4ccccc43)cc2)nc2ccccc21 110582289 MNDFGZDDTRTJLL-UHFFFAOYSA-N 411.465 3.532 0 50 HHAA C[C@@H]1C[C@@H](O)CCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 170610103 NTWHYCGMRFUCIQ-SYNHAJSKSA-N 400.906 3.573 0 50 HHAA Cc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1Br 170615081 OSHVORGEHSTUGW-UHFFFAOYSA-N 407.333 3.825 0 50 HHAA Cc1ccc2cc(C(=O)N[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)[nH]c2c1 170626791 KVEWAARIZGBYOE-INIZCTEOSA-N 417.387 3.910 0 50 HHAA CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c1 231429593 MLDVKDXTZYMJBQ-UHFFFAOYSA-N 418.559 3.612 0 50 HHAA CCOC(=O)c1sc(NC(=O)c2cccc3oc(=O)[nH]c23)nc1-c1ccccc1 253431549 SGENDZUEMOZSHR-UHFFFAOYSA-N 409.423 3.674 0 50 HHAA Cc1cc2occ(CC(=O)N[C@H]3CCCN(C(=O)c4ccco4)C3)c2cc1Cl 827855284 WDMSOJWXRKBZNV-HNNXBMFYSA-N 400.862 3.951 0 50 HHAA O=C(N=c1nc(-c2ccccc2C(F)(F)F)[nH]s1)N[C@@H]1CC[C@H]2[C@@H]1C2(F)F 1875342014 UGEDZBBIEFQCME-AXFHLTTASA-N 404.364 3.811 0 50 HHAA O=C(NC1CCC(C(=O)O)CC1)c1cc(-c2cccnc2)nc2onc(C3CC3)c12 2325720323 HRZWENMQVVPCIH-UHFFFAOYSA-N 406.442 3.535 0 50 HHAA CCOC(=O)c1sc(NC(=O)CCOc2ccccc2)c(C(=O)OCC)c1C 728832 MYUWUIBVFZNSPG-UHFFFAOYSA-N 405.472 3.818 0 50 HHAA O=C(NC(=S)Nc1ccccc1F)c1ccc(I)cc1 881423 CJVFUXQJQUVGNT-UHFFFAOYSA-N 400.216 3.557 0 50 HHAA COc1ccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1Cl 2869505 XARWGRSEIFHGQR-AWEZNQCLSA-N 410.923 3.759 0 50 HHAA Cc1ccc(C)c(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCOCC2)c1 4785364 GVUMOFZYRMBIPM-UHFFFAOYSA-N 416.474 3.767 0 50 HHAA COc1ccc(CNC2CCCCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12055356 NRXLYAYUOABZBJ-HSZRJFAPSA-N 412.574 3.989 0 50 HHAA Cc1c(C(=O)NCc2cc(F)cc(F)c2)sc2ncnc(NC[C@@H]3CCCO3)c12 12080308 QIBKUBZTTYJLBD-HNNXBMFYSA-N 418.469 3.799 0 50 HHAA COc1ccc(OCc2cc(C(=O)NC[C@@H](C)Oc3cccnc3)no2)c(Cl)c1 12305310 QTUIGICFLKDWDM-CYBMUJFWSA-N 417.849 3.508 0 50 HHAA COCCNC(=O)c1cccc(OC2CCN(Cc3cc4ccccc4o3)CC2)c1 12313904 VIQCXQCSUPUTDA-UHFFFAOYSA-N 408.498 3.852 0 50 HHAA O=C(NC[C@@H]1CCCN(C(=O)C2CCOCC2)C1)c1ccc(-c2ccccc2)cc1 12463356 SLDXXYHVBAXKOP-IBGZPJMESA-N 406.526 3.749 0 50 HHAA COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)c1 12579904 SHOXPSHQGFYRFF-HXUWFJFHSA-N 423.557 3.962 0 50 HHAA CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1ccc(F)cc1 12654189 BFNDHFOGBJSEFL-UHFFFAOYSA-N 400.410 3.947 0 50 HHAA O=C(c1ccc2c(c1)OCCO2)N1CCC(c2[nH]ncc2CCc2ccccc2)CC1 14984229 DATFANGROCWBNW-UHFFFAOYSA-N 417.509 3.986 0 50 HHAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ocnc3C)C2)cc1Cl 15063425 XAYICCWVCDTFEM-CQSZACIVSA-N 405.882 3.916 0 50 HHAA CCC(=O)c1c(-c2ccccc2)nc2n(CCN3CCOCC3)c3ccccc3n12 19757399 NNYAYDQQXIGIDA-UHFFFAOYSA-N 402.498 3.881 0 50 HHAA O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@]1(O)C(F)(F)F 36056508 KVPDPAYJXWEZAU-GRDNDAEWSA-N 414.836 3.609 0 50 HHAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(CCC(C)C)[C@H](CCO)C1 38149276 UGCGHCLEVHEWLA-JOCHJYFZSA-N 402.558 3.543 0 50 HHAA COCCn1cc(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)c2cc(Cl)ccc21 169680686 BXWNTNUOICLLTI-UZLBHIALSA-N 403.954 3.935 0 50 HHAA biogenic COc1cccc(-c2nc(-c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)no2)c1OC 169769306 MVBKRBZUNOUMRX-GOSISDBHSA-N 419.441 3.592 0 50 HHAA CCc1ccc2nc([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3)[nH]c(=O)c2c1 170596421 WDOFRGKRLSTPAR-CYBMUJFWSA-N 412.287 3.769 0 50 HHAA O=C(NC[C@H](NCc1ccccc1)C(F)(F)F)Nc1cc(C(F)(F)F)ccn1 240471664 GDQGKEXBQJYRKB-ZDUSSCGKSA-N 406.330 3.943 0 50 HHAA COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2ccccc2Cl)cs1 240756952 HVRMEQZAATZBQU-CYBMUJFWSA-N 411.911 3.942 0 50 HHAA O=C(c1ccc2nn[nH]c2c1)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 426599505 GBDKTBXCBIXLRO-DEOSSOPVSA-N 403.530 3.519 0 50 HHAA CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)n[nH]1 481130326 ZDNQVTYBZJBKKH-VHSXEESVSA-N 408.293 3.697 0 50 HHAA CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 498266203 CPOUNEYEYWKBGT-INIZCTEOSA-N 400.498 3.707 0 50 HHAA Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(C)nc4onc(C(C)C)c34)C2=O)cc1 742010089 JOYIPDZQTURFFP-GOSISDBHSA-N 406.486 3.888 0 50 HHAA COc1cc([C@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4c3c2cn4C)ccc1O 888090299 QDNKNKCXOQVTEH-HXUWFJFHSA-N 403.438 3.742 0 50 HHAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccccc1OC(F)F 1078919823 IRGKIGWNOUIPOP-WBVHZDCISA-N 400.425 3.665 0 50 HHAA CC(=O)N(c1ccccc1)c1nc(CNc2cccc(NS(C)(=O)=O)c2)cs1 1875326320 PVNGMEKWHORUDG-UHFFFAOYSA-N 416.528 3.811 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2Cl)c1 862827 BSLJOPAGXOEIMS-SFHVURJKSA-N 401.850 3.624 0 50 HHAA O=C(NC1(C(=O)O)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 1081432 JACJNSRYTDVVMR-UHFFFAOYSA-N 423.465 3.666 0 50 HHAA in-vitro C[C@@H](C(=O)NC1CCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1137143 CJDFBONZMQLNAO-INIZCTEOSA-N 402.516 3.692 0 50 HHAA COc1ccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1 1144097 JSGIFBCZVCOTLM-UHFFFAOYSA-N 410.495 3.767 0 50 HHAA COc1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(OC)cc2)cc1 2745412 MLTVOOOHCZXWFD-UHFFFAOYSA-N 400.328 3.552 0 50 HHAA O=C1[C@H](Oc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1Cc1ccc2c(c1)OCO2 2862333 WELZJIPTOGHIJL-XZOQPEGZSA-N 417.417 3.675 0 50 HHAA O=S(=O)(c1ccccc1)n1nc(NCc2ccccc2)nc1NCc1ccccc1 4723807 OENRVGUGLHPJMZ-UHFFFAOYSA-N 419.510 3.739 0 50 HHAA Cn1ccnc1CN1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12307346 GEYFVWKYAXRBHP-FQEVSTJZSA-N 400.486 3.567 0 50 HHAA O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1cccc(Cl)c1 12360190 WEEQYGXVXCTTNO-UHFFFAOYSA-N 423.900 3.920 0 50 HHAA biogenic,in-vitro Cc1ccoc1C(=O)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 12579204 KRQOHKVSRQTQLQ-INIZCTEOSA-N 400.906 3.942 0 50 HHAA COc1cccc(CCNC(=O)c2cc(COc3ccc(C)c(C)c3)on2)c1OC 12703128 XBVGIOCHNXJRSG-UHFFFAOYSA-N 410.470 3.860 0 50 HHAA C[C@H](CC1(C)CC1)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 12705004 NJGZXEODDWLLPA-LJQANCHMSA-N 401.595 3.742 0 50 HHAA CC(=O)N1CCC(C(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)CC1 12714074 UJQCWYGHRSOCJR-XMMPIXPASA-N 403.611 3.530 0 50 HHAA CSC[C@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1 14748969 GZIZGCBMGKEJHQ-IBGZPJMESA-N 417.619 3.735 0 50 HHAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(-c3ccco3)cc1)CC2 14950516 SLARTPYQDGFRHH-NRFANRHFSA-N 421.545 3.820 0 50 HHAA Cc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1 14996697 SVFMORRGCMIXQU-HXUWFJFHSA-N 421.545 3.755 0 50 HHAA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CSc2ncccn2)C1 15075916 AZTWOYSAMZEGAO-CQSZACIVSA-N 409.433 3.709 0 50 HHAA O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 16977082 AATIORCMPHHGDY-ZHACJKMWSA-N 422.535 3.871 0 50 HHAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 17092591 GUNICUWADKLIFD-UHFFFAOYSA-N 421.296 3.778 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)cc2)c(OC)c1 17987868 UAZMXPZEVKSZJL-RTBURBONSA-N 420.465 3.802 0 50 HHAA Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 20028564 DLXQELHBKMMLGL-UHFFFAOYSA-N 412.477 3.829 0 50 HHAA Cc1ccc(C)c(OCn2ccc(C(=O)N3CCN(Cc4ccccc4F)CC3)n2)c1 20028701 OPHNROXKYXTQCO-UHFFFAOYSA-N 422.504 3.634 0 50 HHAA Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccc3c(c2)CCC3)CC1 22298780 VLFKLHBWWGECIT-NRFANRHFSA-N 400.950 3.699 0 50 HHAA CCCC[S@@](=O)C[C@H](COC(=O)c1ccc(Cl)cc1)[S@](=O)CCCC 36505298 NIRPRRAVLOKFOQ-HDBFHEOPSA-N 406.997 3.963 0 50 HHAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C[C@@H]3CN(C)CCN3C)cc12 43154235 VZZIQFSVKOXMNT-GOSISDBHSA-N 408.521 3.535 0 50 HHAA O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H](F)[C@H]1/C=C/[C@@H](O)C1Cc2ccccc2C1 43771948 WTYSXBKKVNOOIX-IGXCXLFISA-N 402.506 3.855 0 50 HHAA in-vitro CC(C)CC[C@@]1(C2CCN(C/C(Cl)=C/c3ccccc3)CC2)NC(=O)NC1=O 55134383 IFCCCQXOLCHDTE-DJAVKIJBSA-N 403.954 3.993 0 50 HHAA CCc1ccccc1NC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1 65363994 ZUTCNKLDGRULEA-UHFFFAOYSA-N 419.533 3.504 0 50 HHAA COc1ccccc1-c1nc(-c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)no1 169769283 IJGSIWAUXNWMRC-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(c4cccc5ccccc45)C(=O)[C@H]13)O2 245380418 YQTZBTOOISNFSV-KSZLKVKMSA-N 411.457 3.870 0 50 HHAA CC(C)n1ccc2c(NC(=O)C[C@H]3N=C(O)N(Cc4ccccc4)C3=O)cccc21 252551836 UHSIMTJEAJGNRW-LJQANCHMSA-N 404.470 3.876 0 50 HHAA COc1ccc2c(c1)O[C@H](C)CN(CC(=O)N1CCC[C@@H]1c1ccccc1OC)C2 299793844 KLAUQPQMTSBYEQ-DYESRHJHSA-N 410.514 3.650 0 50 HHAA Cc1ccc(C2(CNc3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)CCC2)cc1C 432823535 LDSVYTGJPSMDKM-UHFFFAOYSA-N 421.584 3.644 0 50 HHAA COc1ccc([C@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4c3c2cn4C)cc1O 888089786 HWUQDULPFNGVLN-HXUWFJFHSA-N 403.438 3.742 0 50 HHAA O=C(c1ccc(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)nc1)N1CCCCC1 1704340075 SUKYSQJVVMQACU-OFNKIYASSA-N 416.525 3.926 0 50 HHAA Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@H]2CNC[C@]2(CCc2ccccc2)C1 1772703372 MUCUDGMQKUSVAV-ATIYNZHBSA-N 415.537 3.873 0 50 HHAA Cc1cc(C)cc(OCC(=O)N2CCN(CCCOc3ccc(Cl)cc3)CC2)c1 1875319961 AFKVKTQZCPXDLN-UHFFFAOYSA-N 416.949 3.949 0 50 HHAA Cc1cc(N(C)c2ccccc2)nc(=NCc2nc3ccccn3c2Br)[nH]1 1875328692 HTKZXOXBQKETDC-UHFFFAOYSA-N 423.318 3.997 0 50 HHAA C=CC(=O)Nc1ccc(NC(=O)c2ccccc2I)c(C)c1 2325787084 JAJLMVHINGOTBY-UHFFFAOYSA-N 406.223 3.976 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)CCC(=O)c3ccc(F)cc3)C2)[C@@H]2CCCC(=O)N12 2356161469 WVOIHJGTEIDBEP-YHELAOLJSA-N 414.521 3.817 0 50 HHAA CC1=C(C)C[C@@H](C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)[C@H](C(=O)O)C1 915935 LVFLAQWNCZHCGE-WOJBJXKFSA-N 418.449 3.873 0 50 HHAA COc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc(Br)c1OC 1058907 CFNXOUBSWWCANB-SNVBAGLBSA-N 406.232 3.669 0 50 HHAA CCOc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1C 1130807 WKWBFRPJVONOLK-UHFFFAOYSA-N 402.560 3.830 0 50 HHAA CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Br 1782532 LXXYBCJAIZYCQG-GOSISDBHSA-N 415.287 3.835 0 50 HHAA biogenic CCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1OCC 2845170 UOYPOZMCISGHQD-UHFFFAOYSA-N 403.431 3.540 0 50 HHAA Cc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)cc1Br 2857495 SGKQISSSTQBPBS-UHFFFAOYSA-N 403.386 3.653 0 50 HHAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 2883070 VEGVXTQRQJZNTP-HNNXBMFYSA-N 422.934 3.696 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2ccc(CO)o2)C[C@H]2CCCO2)CC1 11763086 RGIQHRNOPIOYFM-HSZRJFAPSA-N 412.574 3.974 0 50 HHAA COC[C@@H]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)C1 11935130 QDFDPXFDEBKOFI-QGZVFWFLSA-N 418.969 3.862 0 50 HHAA O=C1NCCCC[C@@H]1NCc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 11996417 LJEMAJMGECOOFC-SFHVURJKSA-N 407.445 3.528 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 12836319 RMXVXENATYKQKW-QHCPKHFHSA-N 413.445 3.583 0 50 HHAA COc1ccc2c(C)nc(N3CCC[C@H](C(=O)NCCc4cccc(F)c4)C3)nc2c1 14879807 NGYXDWNLMHOZPM-SFHVURJKSA-N 422.504 3.661 0 50 HHAA O=C1C[C@H](/C=C/c2ccccc2)Cc2c1cnc1nc(N3CCCCC3)[nH]c(=O)c21 19973979 JYSWZGFRBWCKAY-OAGJVSPASA-N 400.482 3.767 0 50 HHAA OCC[C@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CCN1CC1CCCCC1 20454937 LTMZNPJOHOZUQA-DEOSSOPVSA-N 403.586 3.743 0 50 HHAA COCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc21 20605515 PRJNGUFITYLBAW-UHFFFAOYSA-N 421.425 3.824 0 50 HHAA Cc1cc(C)cc(N2CCC(N3CCN(Cc4cccc(C)n4)[C@H](CCO)C3)CC2)c1 104316039 RBMFTKGRPXPNFH-RUZDIDTESA-N 422.617 3.544 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)Cc4ccc(F)cc4)C3)[nH]n2)cc1 169753659 QLVFFXUACFSUPY-LJQANCHMSA-N 408.477 3.552 0 50 HHAA CCO[C@H]1C[C@@H](N(C)C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1(C)C 170636681 CNCPXSMWDWHNAH-MOPGFXCFSA-N 403.473 3.915 0 50 HHAA O=S(=O)(c1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CCC[C@@H]23)[C@H]1S(=O)(=O)c1ccccc1 257357291 NCEPVJVJJQQOIF-BIRZXAFVSA-N 414.548 3.658 0 50 HHAA Cc1nc2ccccc2n1CCCCCN1CCN(C[C@@H](O)c2ccccc2)CC1 328593978 FQWOOWVGGFGKOR-RUZDIDTESA-N 406.574 3.866 0 50 HHAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCc2nc[nH]c2[C@@H]1c1ccncc1 827972398 CATCCXBNAWIJBA-NRFANRHFSA-N 407.905 3.846 0 50 HHAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)O1 1857700192 CFXZBVCDACYNRR-CRAIPNDOSA-N 416.345 3.929 0 50 HHAA CCOC(=O)Cn1ccc2cc(NC(=O)c3cc4cccc(OC)c4oc3=O)ccc21 1875258158 HMDXSZKJHXJMGH-UHFFFAOYSA-N 420.421 3.572 0 50 HHAA COC(=O)/C=C/CCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 1875311771 NAMORXJKUQUENT-FARCUNLSSA-N 407.392 3.618 0 50 HHAA C=CC(=O)N(C)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 1875373822 PTIFQZPRFKACRC-IBGZPJMESA-N 402.853 3.842 0 50 HHAA CCN(c1ccccc1)S(=O)(=O)c1cccc(-c2nc(Cc3ccno3)no2)c1 2325735943 FEUBXQPCIXYSFI-UHFFFAOYSA-N 410.455 3.531 0 50 HHAA O=C(N[C@@]1(C(=O)O)CCCC2(CCC2)C1)c1cnc2ncc(Br)cc2c1 2325851591 DEVCFRLJWGLOPD-IBGZPJMESA-N 418.291 3.690 0 50 HHAA Cc1ccc(NC(=O)C2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1 2325878979 CZCPPZUCIKAJOF-UHFFFAOYSA-N 402.502 3.871 0 50 HHAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc4c(Cl)cccc4[nH]3)C1)CC2 2356157214 FSPKPMHNHKSLJI-QFIPXVFZSA-N 409.921 3.798 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2cc(Cl)ccc2C)cc1 654262 KRHPQLBDLAAIKY-UHFFFAOYSA-N 406.935 3.775 0 50 HHAA CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(OC)c2)sc2c1CCCC2 724623 STTUKRMOCVLUPU-UHFFFAOYSA-N 418.540 3.939 0 50 HHAA O=C(CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)cc1 778074 LAYYXIGFCWOFMS-HNNXBMFYSA-N 409.294 3.997 0 50 HHAA COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1I 1078743 BOIWCKIQTKHWMQ-UHFFFAOYSA-N 423.659 3.754 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2cccc(C)c2C)cc1 1147460 RBXHWKILMRRTLU-UHFFFAOYSA-N 400.544 3.866 0 50 HHAA CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 2811833 FCHQGFGGCWAQDN-UHFFFAOYSA-N 402.516 3.902 0 50 HHAA O=C(O)c1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)O)c1 4542422 NCFBSNJESIUISJ-UHFFFAOYSA-N 404.378 3.588 0 50 HHAA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2OC(F)F)cc1C 5171185 QPSWHAQZDZJAOF-UHFFFAOYSA-N 405.430 3.611 0 50 HHAA CCc1nnc(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2CC(C)C)s1 9224932 IITZIGMLRHQYTO-LBPRGKRZSA-N 417.564 3.529 0 50 HHAA CN1CCCN(C(=O)[C@@H]2CC23CCN(Cc2cnc(-c4ccccc4)s2)CC3)CC1 12019944 CBBSVIFVSCXGND-NRFANRHFSA-N 424.614 3.576 0 50 HHAA COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 12380116 HRVAIPXCXCHAAV-XSFVSMFZSA-N 404.422 3.900 0 50 HHAA CN(C)Cc1ccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)o1 12711712 KWVLHJICAZCAIZ-LJQANCHMSA-N 401.526 3.507 0 50 HHAA Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccnn4C)C3)c2)c1 12714603 JHSLBDITZPNZIT-HXUWFJFHSA-N 402.498 3.886 0 50 HHAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N(C)Cc1cccs1)C2 14751274 ACUFXTKWODORDE-QGZVFWFLSA-N 400.592 3.970 0 50 HHAA CCCC[C@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)Cc2ccccc2O1 14883982 DONFIEKCJJTBSR-IBGZPJMESA-N 405.498 3.767 0 50 HHAA C[C@@H](NC(=O)c1cccs1)c1nnc(SCCOc2ccc(F)cc2)n1C 14966460 QJPUBYNTINBQDW-GFCCVEGCSA-N 406.508 3.678 0 50 HHAA COc1ccc(C[C@@]2(CCC(=O)N(C)[C@H](C)c3cccs3)CCC(=O)N2)cc1 15006515 MSBNWIRHRKSIKA-ZHRRBRCNSA-N 400.544 3.948 0 50 HHAA CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1C(=O)NC1CCCC1 17082918 RTOIUWWMFAMKHX-CVEARBPZSA-N 404.532 3.897 0 50 HHAA O=S(=O)(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1cccc2nonc12 17093771 BGPGJKQHFQSPTA-UHFFFAOYSA-N 424.269 3.575 0 50 HHAA O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 19720655 GBYRDWDZZPYLTJ-SFHVURJKSA-N 422.287 3.587 0 50 HHAA O[C@H](COc1ccccc1CNCCc1ccc(Cl)cc1)CN1CCCCC1 20454943 KJMWVTLTNPQBQU-QFIPXVFZSA-N 402.966 3.898 0 50 HHAA CC(C)CC(=O)Nc1ccccc1N1CCN(Cc2nc3ccccc3n2C)CC1 20468503 OOAZXAHHALRGLT-UHFFFAOYSA-N 405.546 3.880 0 50 HHAA COc1ccc(-c2nc(CN3CCC(CN4CCCC4=O)CC3)c(C)o2)c(OC)c1 39393498 MAAKYWAKNNRWQE-UHFFFAOYSA-N 413.518 3.502 0 50 HHAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2c(C)nc3sccn23)CC1 55199391 PZLQTAKJACJXCW-QGZVFWFLSA-N 405.564 3.809 0 50 HHAA Cc1ccc(-c2noc(CCNC(=O)c3ccc(NC(=O)C4CCC4)cc3)n2)cc1 55254220 RWSYJGOYUDNBDG-UHFFFAOYSA-N 404.470 3.756 0 50 HHAA COc1ccc(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cc1Cl 71279457 GIGBOBAYNYSPKO-UHFFFAOYSA-N 404.253 3.864 0 50 HHAA C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1c(F)cccc1Cl 170631605 KCGQJVCIOMTBPJ-RISCZKNCSA-N 400.878 3.969 0 50 HHAA O=C(C[C@H]1C(=O)Nc2ccccc21)N[C@H]1CCOc2c(Br)cccc21 225710002 RBMJKJQUWTYBEG-CJNGLKHVSA-N 401.260 3.515 0 50 HHAA CC[C@H]1CN(C(=O)Nc2nc(-c3cccnc3)cs2)[C@H](CC)CN1CC(C)(C)O 230151610 DGVXAVIHODYYOB-DLBZAZTESA-N 417.579 3.683 0 50 HHAA CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2[C@@H](CC)c2ccccc2)C1 252475131 UEEXERHIKLQSMH-ACRUOGEOSA-N 406.592 3.623 0 50 HHAA C[C@H]1CCCN(C(=O)C2CCN(C(=O)[C@H](C)Cc3cncc4ccccc34)CC2)C1 408516420 PEHDUSHCEMIYAI-RBUKOAKNSA-N 407.558 3.911 0 50 HHAA COCCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 409415029 RNSYTVZHTBTVMV-UGKGYDQZSA-N 404.599 3.742 0 50 HHAA O=C(COc1ccccc1CNCCOc1cccc2cccnc12)N1CCCCC1 952872649 BFMRJXYIZHMSAC-UHFFFAOYSA-N 419.525 3.795 0 50 HHAA CN1CCC(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)NC(C)(C)C)cc2)CC1 952963458 IONMRLYPEBKZRD-LEWJYISDSA-N 415.578 3.819 0 50 HHAA COc1cccc(OCc2nc([C@H]3C[C@@H]4CC[C@H]3O4)n(-c3ccccc3OC)n2)c1 1857723681 QLSJMQBEZUDDRP-CMKODMSKSA-N 407.470 3.898 0 50 HHAA CCO[C@@H]1C[C@@H](NC(=O)c2ccc(NC[C@@H]3Cc4ccccc43)nc2)C12CCOCC2 1875325431 NJGBSQOQNXNOED-KSEOMHKRSA-N 421.541 3.537 0 50 HHAA Cc1sc2nc(-c3cccnc3)nc(NCCn3c(O)nc4cccnc43)c2c1C 1875359681 MLNHACIGOWPERB-UHFFFAOYSA-N 417.498 3.933 0 50 HHAA CCOC(=O)c1c(-c2ccccc2)oc2cc(Br)c(OCC(N)=O)cc12 623731 REJGATLHRCCKLU-UHFFFAOYSA-N 418.243 3.903 0 50 HHAA O=S(=O)(NCc1ccccc1)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1 754825 KADDLPAQUDUNKN-UHFFFAOYSA-N 421.927 3.651 0 50 HHAA COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc(OC(C)=O)c3ccccc23)cc1 1132910 WDBWRGSZYZIEFY-UHFFFAOYSA-N 413.451 3.516 0 50 HHAA COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(F)cc3C)cc12 2685495 YPMZGKAYKROBBE-UHFFFAOYSA-N 419.430 3.717 0 50 HHAA CCOP(=O)(OCC)[C@@H](NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 2686440 JOSHPJOYPURCIO-LLVKDONJSA-N 424.670 3.927 0 50 HHAA CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)ccc1OC 4736954 IRRLTSSMYVVQCY-OAQYLSRUSA-N 419.485 3.921 0 50 HHAA Cc1ccc(-n2cccn2)c(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c1 12076177 BWPSUWIZTOIOJT-IBGZPJMESA-N 406.505 3.962 0 50 HHAA COc1cccc(CNCC[C@@H]2CCC(=O)N2Cc2cccc(-n3cccn3)c2)c1 14977811 IDOASEZUIBGWJM-NRFANRHFSA-N 404.514 3.552 0 50 HHAA COc1cccc([C@@H](C)NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)c1 20608139 QUUDLPAVJHGAFF-KZULUSFZSA-N 403.276 3.828 0 50 HHAA CC(C)=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NCC3CC3)nc2c1=O 72407442 AVWZYSVMVHIDIP-UHFFFAOYSA-N 410.905 3.922 0 50 HHAA CC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)[C@H](c1ccsc1)CC(=O)O3 253396066 AUCUQGOHACGXKV-INIZCTEOSA-N 411.479 3.535 0 50 HHAA biogenic COc1ccc(F)c(CN2CCC[C@@]3(CCN(CCn4cc(Cl)cn4)C3)C2)c1 426648175 RPOGEBDWDQUXDG-NRFANRHFSA-N 406.933 3.672 0 50 HHAA C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4coc5ccccc45)CC3)cc2NC1=O 499976974 JWJCCQYGTLSZTL-CQSZACIVSA-N 418.449 3.887 0 50 HHAA O=C(NCc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCCN1Cc1ccncc1 1318462294 DWJNINUKCYDRTG-QFIPXVFZSA-N 402.498 3.940 0 50 HHAA Cc1ccnc(Nc2cccc(C(=O)Nc3cc(F)cc(N4CCOCC4)c3)c2)n1 1464581738 DEXWJXIBVJJJSZ-UHFFFAOYSA-N 407.449 3.757 0 50 HHAA Cc1nn(C)c(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1Cl 1704299993 UECYWMCGBLAFEI-HSZRJFAPSA-N 421.932 3.959 0 50 HHAA CCOc1ccc(NC(=O)C[C@@H]2SC(=N)N(c3ccc(OCC)cc3)C2=O)cc1 1857799273 UQJIXIPTAYUPFA-SFHVURJKSA-N 413.499 3.896 0 50 HHAA NC(=O)NC1CCC(C(=O)N[C@H](c2cccnc2)c2cccc(C(F)(F)F)c2)CC1 1875254376 OBSUFRNQUUMQIA-SYGMWZTRSA-N 420.435 3.533 0 50 HHAA COC(=O)c1csc(NS(=O)(=O)c2c(C)cc(Br)cc2C)c1 2325841668 COLRPFDDHLYYPS-UHFFFAOYSA-N 404.307 3.715 0 50 HHAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3n[nH]c4ccccc34)C2)[C@@H]2CCCC(=O)N12 2356137093 FJLBPBANLLAINB-SEONNTABSA-N 408.546 3.841 0 50 HHAA Cc1cc(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)c(Cl)cc12 627884 XIFLXCNHIGUAIM-ZDUSSCGKSA-N 415.829 3.975 0 50 HHAA O=C(c1ccc(COc2ccccc2Cl)o1)N1N=C(C(F)F)C[C@]1(O)C(F)F 655213 CHWPJTMCMGLFAG-KRWDZBQOSA-N 420.746 3.933 0 50 HHAA CCOC(=O)c1sc(NC(=O)/C=C/c2cnn(CC)c2C)c(C(=O)OCC)c1C 657237 FPKOOTRNDWTUTF-MDZDMXLPSA-N 419.503 3.587 0 50 HHAA O=C(NCc1cccnc1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 1062245 OICGUUJJQSEUDC-IRXDYDNUSA-N 401.392 3.868 0 50 HHAA CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)c1cc(OC)c(OC)c(OC)c1 1125508 LMLFYGYJRUJDGN-UHFFFAOYSA-N 412.438 3.951 0 50 HHAA CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 1142603 BOEOIGSEGXHBOF-LBPRGKRZSA-N 414.886 3.671 0 50 HHAA COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 1173261 SWJGGLIDPZECPL-LBPRGKRZSA-N 416.421 3.507 0 50 HHAA CCCC(=O)N[C@@H](Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(Cl)(Cl)Cl 2067471 INWJCRWBMKWZER-INIZCTEOSA-N 419.740 3.509 0 50 HHAA Cc1sc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c(C(N)=O)c1C 2780311 ULPBSKIDUOFQFE-UHFFFAOYSA-N 405.430 3.574 0 50 HHAA C[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccccc1 2966952 MRMMUZLYVIQSLJ-KRWDZBQOSA-N 412.486 3.898 0 50 HHAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2cccc(C)c2)cc1 2981916 WUORQWMVNAIEPD-UHFFFAOYSA-N 400.544 3.901 0 50 HHAA Cc1ccccc1N1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1 12305079 VUMIEZRLHXDKPG-UHFFFAOYSA-N 413.424 3.803 0 50 HHAA Cc1nc(C(=O)NC[C@H]2CCC3(CCN(CCCc4ccccc4)CC3)O2)cs1 14984809 SLNGDTNXTUTPBK-HXUWFJFHSA-N 413.587 3.828 0 50 HHAA Cc1ccc(CN2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)cc1 19300375 NVXKYLORNKHLOC-VWLOTQADSA-N 404.558 3.558 0 50 HHAA O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc(F)cc1 20103523 GIQTXDJLBPQPCA-FQEVSTJZSA-N 415.428 3.687 0 50 HHAA CSc1nccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cc2cccs2)C3)n1 20271744 QTKYZXIJYYJCRB-CQSZACIVSA-N 415.515 3.729 0 50 HHAA CCC1(CC)CCN(C(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)C1 82106572 LOHCNZQMOTXGAU-JOCHJYFZSA-N 412.622 3.797 0 50 HHAA CN1CC2(CCN(c3nc(-c4ccccc4)no3)CC2)C[C@H](c2ccccc2)C1=O 96162176 KROKRKJQMZOXOB-HXUWFJFHSA-N 402.498 3.969 0 50 HHAA CC1(C)CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CCS1(=O)=O 446486247 USVHFTJZENLAHK-UHFFFAOYSA-N 404.359 3.841 0 50 HHAA COC(=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 1848443574 DLYVTEULDNMQAR-MGWGTQJXSA-N 422.606 3.537 0 50 HHAA Cc1nc(C2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2cn(CC(F)(F)F)nc2C2CC2)no1 1875330523 RZURAMDPBRPELL-AGUYFDCRSA-N 424.427 3.957 0 50 HHAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1OC 799796 GATNAZAVTARQFL-SFHVURJKSA-N 401.850 3.624 0 50 HHAA C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O 840932 ATYQIUHYOIPPCZ-BLLLJJGKSA-N 405.235 3.974 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 980849 NFZJBMMWHLSFET-UHFFFAOYSA-N 406.935 3.996 0 50 HHAA CCN(CC)C(=O)c1sc(NC(=O)c2cccnc2)c(C(=O)OC(C)C)c1C 1116459 SGLYUQCAZDKXJE-UHFFFAOYSA-N 403.504 3.751 0 50 HHAA CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 6243953 JWTHPLAAUAYREK-UHFFFAOYSA-N 417.314 3.943 0 50 HHAA COc1ccc(Cn2c(SCc3ccccc3F)nc3nccnc3c2=O)cc1 6818552 AFJPWTXALRVBGL-UHFFFAOYSA-N 408.458 3.675 0 50 HHAA CC[C@@H]1CN(Cc2ccc(Sc3nncn3C)o2)Cc2cc(OC)ccc2O1 11782230 HLILKBHMLPPMMR-OAHLLOKOSA-N 400.504 3.741 0 50 HHAA OC[C@@H]1CCCCN1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 12028392 KZMPPEGHWBFNSS-NRFANRHFSA-N 405.498 3.674 0 50 HHAA COc1ccccc1C(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 12207286 HLYGVWFIHRHYMI-UHFFFAOYSA-N 418.497 3.930 0 50 HHAA CS(=O)(=O)c1ncc(CN(CC2CCC2)C[C@@H]2CCCO2)n1CC1CCCCC1 12447351 ISXJXBPJIQJYOW-NRFANRHFSA-N 423.623 3.648 0 50 HHAA COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)cc1 13768263 ZVKBSENSURYYII-QPTUXGOLSA-N 400.563 3.812 0 50 HHAA COc1ccc(-c2nnsc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 36360698 ZMHLZIGCOAUJKY-UHFFFAOYSA-N 408.527 3.608 0 50 HHAA CCN(C(=O)c1cccc(NC(=O)CN(C)Cc2ccncc2)c1)c1ccccc1 55415034 ACXQCLUGYQLWQK-UHFFFAOYSA-N 402.498 3.819 0 50 HHAA Cc1cc(N2CCC3(CCCN3Cc3cn(CCO)nc3C)CC2)c2ccccc2n1 72458469 JSKPHFPZEDKDEL-UHFFFAOYSA-N 419.573 3.675 0 50 HHAA CCCCn1c(=O)c(C(=O)Nc2ccccc2C(=O)OCC)c(O)c2ccccc21 100543170 UUWWWQCCYUXVRW-UHFFFAOYSA-N 408.454 3.936 0 50 HHAA C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 101795682 DOJLHUMRZPZHPU-GGZOMVNGSA-N 401.677 3.838 0 50 HHAA C[C@@H]1CCN(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c2ccccc2S1 169295810 CKPPZTVWXZYQBP-IMOWGURISA-N 415.555 3.778 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4cc5ccccc5[nH]4)C3)[nH]n2)cc1 169753878 SXLBIYVYVSPHRV-SFHVURJKSA-N 415.497 3.965 0 50 HHAA CCN(Cc1cccs1)C(=O)CCCN1CCC(NC(=O)OC(C)(C)C)CC1 170595758 BKODUMQVBXHOHV-UHFFFAOYSA-N 409.596 3.866 0 50 HHAA CO[C@H]1C[C@H](C(=O)Nc2cccc(OC3CCCC3)c2)N(C(=O)OC(C)(C)C)C1 170611041 WTIVEZNTBCWDFY-RBUKOAKNSA-N 404.507 3.971 0 50 HHAA Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc2ccc(Br)cn2n1 170617372 VKBZPVQGDAZBHA-UHFFFAOYSA-N 400.685 3.859 0 50 HHAA O=C1O[C@H](C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)Cc2ccccc21 170627135 GMGIKYIPAUTJNE-KCWXNJEJSA-N 405.475 3.715 0 50 HHAA O=C1[C@H]2[C@@H](c3ccco3)N(c3ccc(Cl)cc3)O[C@H]2C(=O)N1Cc1ccccc1 238899440 GKHNZKLMLAWTOH-XUVXKRRUSA-N 408.841 3.980 0 50 HHAA CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)n[nH]1 481130322 ZDNQVTYBZJBKKH-NXEZZACHSA-N 408.293 3.697 0 50 HHAA Cc1cccc(Oc2ccc(NC(=O)COC(=O)CSc3nncs3)cc2)c1 775968925 GQSLTPCPXJZZNN-UHFFFAOYSA-N 415.496 3.913 0 50 HHAA COc1nc2c(cc1C(=O)Nc1cc(C)ccc1NC(C)=O)C(=O)N(C1CCCC1)C2 952971739 XVDSRZONZPOBLE-UHFFFAOYSA-N 422.485 3.508 0 50 HHAA CC(C)n1ncc2c1[C@@H](NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)CCC2 1320371837 KJDPMSOUFQSCKR-HNNXBMFYSA-N 403.552 3.641 0 50 HHAA CC(C)n1ncc2c1[C@H](NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)CCC2 1320371838 KJDPMSOUFQSCKR-OAHLLOKOSA-N 403.552 3.641 0 50 HHAA C[C@H](NC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc(OCC(N)=O)cc1 1875261012 FBSLLFIBPWPXBG-QFBILLFUSA-N 420.513 3.682 0 50 HHAA CCCN1C(=O)[C@]2(CCN(C(=O)c3ccc(-c4cnco4)cc3)C2)c2ccccc21 2100557673 YTACDQODLSTONL-DEOSSOPVSA-N 401.466 3.882 0 50 HHAA O=C(CCc1nc2cnccc2[nH]1)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 2325853793 BOSASTRINFFBQO-UHFFFAOYSA-N 420.860 3.830 0 50 HHAA CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 824472 ZRCLKUTZIWKLDY-UHFFFAOYSA-N 406.813 3.764 0 50 HHAA CCOc1cccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)c1 842570 ZIXQVWPVRUZRKC-QGZVFWFLSA-N 418.902 3.743 0 50 HHAA COc1ccccc1N(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccccc1 1171212 CIANYABXFGLGOO-UHFFFAOYSA-N 424.522 3.515 0 50 HHAA O=C(c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 1211882 BJAQNQNGNVCADF-INIZCTEOSA-N 413.193 3.950 0 50 HHAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3)C2)cc1Cl 1329944 XBPLRHQWSYLHKM-HNNXBMFYSA-N 422.934 3.696 0 50 HHAA NC(=O)NC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 2789238 UVEFJWRADUEHGF-UHFFFAOYSA-N 412.298 3.995 0 50 HHAA Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)cc1 2905264 DLWZJVVZOMIAQD-UHFFFAOYSA-N 418.902 3.973 0 50 HHAA COc1ccc(CCNC(=O)Cc2c(C)c3cc(Cl)c(OC)cc3oc2=O)cc1 4742624 KOALVQHSLFMENQ-UHFFFAOYSA-N 415.873 3.673 0 50 HHAA COc1ccc(CCN2C(=O)CC[C@H](C(=O)O)[C@H]2c2ccc(Cl)cc2)cc1OC 4759735 UCMMELSTVMGLSK-LAUBAEHRSA-N 417.889 3.964 0 50 HHAA Cc1ccccc1OCC(=O)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 8598141 JDJUHKUFZSGZDY-UHFFFAOYSA-N 415.449 3.599 0 50 HHAA Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C)ccc1Br 9304401 MUYOBJDATPCVFJ-UHFFFAOYSA-N 418.320 3.679 0 50 HHAA O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)c(Cl)c1 12023261 UUUCMDCPYMDHPC-FQEVSTJZSA-N 420.937 3.561 0 50 HHAA Cn1ccnc1[C@H]1CCCCN1C(=O)c1cc(COc2cccc3cccnc23)on1 12315761 HBJPENHMLHBIAF-LJQANCHMSA-N 417.469 3.903 0 50 HHAA O=C(NCCc1cccc(C(F)(F)F)c1)c1cn(Cc2ccccc2Cl)nn1 12709329 QFYGKKCZSAWJOS-UHFFFAOYSA-N 408.811 3.971 0 50 HHAA O=C(NCc1ccc(-n2cncn2)cc1)c1ccc2oc(Cc3ccccc3)nc2c1 12836703 WTYQAUODTOAQDA-UHFFFAOYSA-N 409.449 3.929 0 50 HHAA CC(C)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1 14954890 MSPREXONPCFQPL-QGZVFWFLSA-N 407.518 3.544 0 50 HHAA O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)c1ccc2c(c1)OCCO2 16400334 BHABUUJHQJJFEK-UHFFFAOYSA-N 424.478 3.783 0 50 HHAA COc1cccc([C@@H](C)NC(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)c1 19110922 PBVLRNHXUKNSLJ-OAHLLOKOSA-N 404.470 3.960 0 50 HHAA COc1cc2c(cc1CN[C@@H]1CCCN(c3ccc(C(F)(F)F)cn3)C1)OCO2 19223092 ZGTWOWATIZMULZ-OAHLLOKOSA-N 409.408 3.596 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2cccc3cnccc23)C[C@@H]1CCO 19839230 UMNKVMHXBWOOKA-QHCPKHFHSA-N 405.542 3.702 0 50 HHAA C[C@H]1CN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)CCN1C 23375475 YWMVMYBOCBTWHG-KRWDZBQOSA-N 417.985 3.530 0 50 HHAA Cc1csc2nc(=O)c(-c3ccccc3NC(=O)c3ccc4cc[nH]c4c3)nn12 55108035 QGPCTBSWWDBFBA-UHFFFAOYSA-N 401.451 3.860 0 50 HHAA Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCN(C)CC2)CC[C@H](C)C3)cc1 55195850 SOKJWCIEGGIQFV-INIZCTEOSA-N 411.571 3.821 0 50 HHAA Cc1nc(-c2cn(CCO)c(-c3ccc(Br)cc3F)n2)n(C(C)C)n1 116315285 MXQLKKJIZSLULM-UHFFFAOYSA-N 408.275 3.592 0 50 HHAA CN(C)c1ccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)cc1 169775362 GTRCOOJCXUQCSK-IBGZPJMESA-N 407.493 3.681 0 50 HHAA CCN(CC)c1ccc(NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)cc1 225799252 SZJVGKCCKYWXCK-OAQYLSRUSA-N 411.550 3.502 0 50 HHAA COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@H]32)cc1 390827946 MIOSFPFSZMLAKQ-SCDRESIJSA-N 409.574 3.842 0 50 HHAA O=C(CCn1ccc2cc(Br)ccc21)N1CC[C@]2(O)CCCC[C@@H]2C1 409412976 BWDPTYLFMJMUHW-OXQOHEQNSA-N 405.336 3.948 0 50 HHAA biogenic Cc1ccsc1[C@@H](CO)NC(=O)NCc1ccccc1CN(C)Cc1ccco1 487218997 LOHJRRFDVSYPHS-HXUWFJFHSA-N 413.543 3.814 0 50 HHAA O=C(O)c1ccc(S(=O)(=O)Nc2ccc(OCc3ccncc3)cc2)c(Cl)c1 489700628 XXBBISFJLJAEHJ-UHFFFAOYSA-N 418.858 3.813 0 50 HHAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCCc1nc2ccccc2s1 497704978 CFXJSZYPMXYJTP-GOSISDBHSA-N 423.538 3.659 0 50 HHAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2[nH]c3ccccc3c2Cl)cc1OC 1529186586 ILKGVNULSZXCOH-IFMALSPDSA-N 416.905 3.773 0 50 HHAA CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1C[C@H]2CC[C@H](C1)C2 1875357719 UDRCLGVSGLOPKM-IRXDYDNUSA-N 419.591 3.692 0 50 HHAA Cc1ccc(-c2noc(Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)nc1C 2325850048 KJPCKCSFHBGMBK-UHFFFAOYSA-N 412.515 3.514 0 50 HHAA CCc1oc(C(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)cc1CN(CC)CC 2356155713 KOYPFIOGCITFFH-DEOSSOPVSA-N 410.562 3.902 0 50 HHAA COc1ccc(CCNC(=O)COc2cc(C)c(Br)c(C)c2)cc1OC 1159205 SEMHPHLHLVBUTG-UHFFFAOYSA-N 422.319 3.821 0 50 HHAA O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccc(C(=O)O)cc1 1185467 MUYPMCWJNCWCHX-AQHRCUNFSA-N 408.435 3.616 0 50 HHAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1c(F)cccc1F 2854984 PITVTBQJAJBLAF-UHFFFAOYSA-N 420.412 3.938 0 50 HHAA Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(Br)cc1 2865813 KFQMMPFJUJXZHV-UHFFFAOYSA-N 423.361 3.961 0 50 HHAA COc1ccc(/C=C2\N=C(c3ccccc3I)OC2=O)cc1 2878944 XGJNIDVBFKCIMN-GDNBJRDFSA-N 405.191 3.644 0 50 HHAA CC[C@H](C)NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 4996139 IEKMGBRDTOUYMZ-HNNXBMFYSA-N 424.950 3.767 0 50 HHAA CCOc1ccc(OCc2ccc(-c3nnc(S)n3C[C@H]3CCCO3)o2)cc1 8324361 GYYFPDLGOCOBIM-MRXNPFEDSA-N 401.488 3.984 0 50 HHAA C[C@H](Cc1cccs1)NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 11998515 XBUMXWAMLQUQCG-MRXNPFEDSA-N 412.555 3.889 0 50 HHAA CO[C@H]1CCCN(C(=O)c2cc(C)ccc2OC2CCN(Cc3ccncc3)CC2)C1 12197216 FYGKEPONFGFFSV-QFIPXVFZSA-N 423.557 3.684 0 50 HHAA COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@@H](O)CN1CCCC1 12297987 HCGCPEARIYQGAH-INIZCTEOSA-N 410.967 3.535 0 50 HHAA Cc1[nH]c2ccc(C(=O)N3CCC(n4nccc4NC(=O)C4CC4)CC3)cc2c1C 14974877 OWJMNWJBYFKSKG-UHFFFAOYSA-N 405.502 3.807 0 50 HHAA CN1CCC(N2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)CC1 15065758 KZQCGFCGIJYVTE-UHFFFAOYSA-N 419.997 3.950 0 50 HHAA CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 21795204 JVZIPLFNYJHAGG-UHFFFAOYSA-N 424.549 3.528 0 50 HHAA O=C(c1ccc(F)c(F)c1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55134138 VMAXUMGFPHQVEY-IBGZPJMESA-N 403.448 3.531 0 50 HHAA CC(C)CC[C@]1(C2CCN(C/C(Cl)=C/c3ccccc3)CC2)NC(=O)NC1=O 55134386 IFCCCQXOLCHDTE-PZNLSKEWSA-N 403.954 3.993 0 50 HHAA O=C1[C@H]2[C@@H](c3ccc(F)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 138557884 JQRWBFCBYZXBRZ-RCCFBDPRSA-N 420.271 3.668 0 50 HHAA CC(C)(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccsc1 170618382 RWMYHVGWKDLEQD-QGZVFWFLSA-N 405.545 3.843 0 50 HHAA Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC[C@H]4CCCO4)cc3N2)cc1 239125184 KBDSXPOYXRGAKL-VYDXJSESSA-N 408.424 3.761 0 50 HHAA O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1cccnc1)c1ccc2c(c1)OCO2 240551362 GTCADHDXOKWQEW-UHFFFAOYSA-N 420.849 3.998 0 50 HHAA CCn1ncc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1C(F)(F)F 410400464 BWIJNXAEGQNMGG-UHFFFAOYSA-N 412.231 3.794 0 50 HHAA Cc1cccc2c1CN(CC(=O)N1c3ccccc3NC(=O)C[C@@H]1C(F)(F)F)CC2 429572335 ZJNSQZOAGDPBEX-LJQANCHMSA-N 417.431 3.659 0 50 HHAA COc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1C1CC1 435664947 WATNSDBVZOYUIC-UHFFFAOYSA-N 402.497 3.838 0 50 HHAA O=C1Nc2ccc(S(=O)(=O)Nc3cc([C@@H]4C[C@H]5CC[C@H]4C5)[nH]n3)c3cccc1c23 474425773 JEJKBWJWQMMSST-SLEUVZQESA-N 408.483 3.833 0 50 HHAA CCCn1c(SCc2nc([C@H](C)OC)no2)nc2sc3c(c2c1=O)CCC3 476483701 BBNCWDKTDNOIOC-JTQLQIEISA-N 406.533 3.739 0 50 HHAA CCN1Cc2ccccc2C[C@H]1C(=O)NC1CCN(Cc2ccccc2Cl)CC1 952870323 WCFWGXBRAWYJFZ-QHCPKHFHSA-N 411.977 3.867 0 50 HHAA O[C@H]1CN(Cc2cc(CN3CCCC3)cs2)C[C@@H]1Cc1ccc2ccccc2n1 1616069000 DRKLAXWXIWTPHY-RDPSFJRHSA-N 407.583 3.928 0 50 HHAA Cc1cc(C(=O)N2CCCN(c3ccnc4c(C(F)(F)F)cccc34)CC2)no1 1772805248 IRMYCYMCFCQTSW-UHFFFAOYSA-N 404.392 3.903 0 50 HHAA Cc1ccccc1-c1noc(CCCC(=O)N2CCN(c3ccc(F)cn3)[C@H](C)C2)n1 1857683116 VRGFXTTWHWZUGQ-QGZVFWFLSA-N 423.492 3.639 0 50 HHAA Cc1cc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)ccc1N1CCOCC1 1857726483 TZJOVPBVDAAIIB-BJKOFHAPSA-N 406.526 3.824 0 50 HHAA C[C@@H](CNC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)c1cccc(F)c1 1875256832 YTMCUOKKGOSYQB-ZDUSSCGKSA-N 413.474 3.703 0 50 HHAA O=C1CCc2ccc(NC(=O)c3cc4ccc(C(F)(F)F)cc4nc3O)cc2CN1 1875337070 RMKPIAWWPDJUEV-UHFFFAOYSA-N 415.371 3.774 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Br)cc3)C[C@H]2C)CC1 2325889594 YFIXBZDNZRGPFZ-RHSMWYFYSA-N 405.336 3.578 0 50 HHAA O=C(c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCOCC1 865863 ZBXNOESVSIPKMA-MWLCHTKSSA-N 420.844 3.731 0 50 HHAA CCCOc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3cccc(F)c3)C2=O)cc1 3095273 JNGRKWFPUIFKGB-SFHVURJKSA-N 416.474 3.618 0 50 HHAA O=c1oc2ccccc2c(O)c1C(c1cccnc1)c1c(O)c2ccccc2oc1=O 5174554 GWSQNOUPFNPZPT-UHFFFAOYSA-N 413.385 3.886 0 50 HHAA biogenic COc1cccc(NC(=O)C2CCN(C(=O)N3C[C@@H](C)Oc4ccccc43)CC2)c1 6841918 FLIFPLOYIOQGSW-MRXNPFEDSA-N 409.486 3.753 0 50 HHAA Cc1ccc(-c2cc(C(=O)NC3CCN(C(=O)Nc4ccccc4)CC3)[nH]n2)cc1 9903073 WDGBSGDNJWWPBW-UHFFFAOYSA-N 403.486 3.811 0 50 HHAA Cc1cccc(Nc2ccc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)nn2)n1 11697231 BHFXEZFFDPFFKJ-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 11817951 VNPZUJYCHABABL-MRXNPFEDSA-N 410.436 3.529 0 50 HHAA Cc1cccn2c(CN3CC[C@@H](C4CCCCC4)C3)c(C(=O)N3CCOCC3)nc12 12434051 SPNPRRBGAOQNNS-HXUWFJFHSA-N 410.562 3.517 0 50 HHAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4[nH]c(C)cc4C)C3)C2)c1OC 12589663 FIUMEAGAWGOHFK-XMMPIXPASA-N 411.546 3.777 0 50 HHAA CCc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)on1 12594475 SSGTUQQGZFGEAW-FQEVSTJZSA-N 421.501 3.673 0 50 HHAA CC[C@H]1CCCCN1C(=O)c1cn(CC(C)C)cc(C(=O)N2CCCCCC2)c1=O 14996319 BMRBUXDWAUNVCU-IBGZPJMESA-N 415.578 3.925 0 50 HHAA O=C1N[C@H](c2c(F)cccc2Cl)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 16805350 MQQPRDGKIBHENW-CPUCHLNUSA-N 416.758 3.583 0 50 HHAA COc1cc(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)cc(OC)c1OC 19549539 CNVCJJIBVAHGFN-UHFFFAOYSA-N 420.509 3.824 0 50 HHAA COCCN(Cc1ccc(COC)o1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 20204742 CZTGEGCYMNDDNT-FQEVSTJZSA-N 412.574 3.754 0 50 HHAA COc1ccc(S(=O)(=O)CCc2nnc(-c3ccc(Br)cc3)o2)cc1 22135422 MIKLWCBZWPWEGJ-UHFFFAOYSA-N 423.288 3.524 0 50 HHAA Cc1nnc2ccc(N3CCC[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)C3)nn12 32071744 GIVCBZOQIOCYQR-LBPRGKRZSA-N 405.289 3.595 0 50 HHAA CCOc1ccc2nc(S[C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)nc(C)c2c1 100617491 VNVGRTIYAMUCOJ-IBGZPJMESA-N 423.494 3.770 0 50 HHAA O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1CCN(C[C@H]2CCCc3ccccc32)C1 253371036 ZUKZVSRIWTYJHA-QZTJIDSGSA-N 406.505 3.760 0 50 HHAA COc1cc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc(OC)c1O 253403110 GXSXNKJHXSTFDU-INIZCTEOSA-N 420.417 3.787 0 50 HHAA biogenic COCCn1cc(CCC(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21 253412369 QTRDUETWKJKTES-JTHBVZDNSA-N 411.590 3.943 0 50 HHAA biogenic CC[C@@H]1NC(=O)N(c2cccc(NCc3ccc(Oc4cnccn4)cc3)c2)C1=O 475575880 QWWOTVPLEAWGTE-IBGZPJMESA-N 403.442 3.716 0 50 HHAA O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(CN3CCCC3)o2)CC1 952986935 HCBXPGZMQPLNRU-UHFFFAOYSA-N 401.551 3.567 0 50 HHAA Cc1noc(-c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)c4cccs4)C3)o2)c1C 1506410875 GJCAIYLQVICWRV-AWEZNQCLSA-N 420.512 3.897 0 50 HHAA CCCn1ncc(CN2[C@H]3CC[C@@H]2[C@](CC)(C(=O)N(C)Cc2cscn2)C3)c1C 1857695254 BDJRXDSXBJUGKD-TUNNFDKTSA-N 415.607 3.850 0 50 HHAA CN(C[C@H]1COc2ccccc2O1)c1ccnc(-c2cncc(Br)c2)n1 1875332844 NPALXPNIMFQVBM-HNNXBMFYSA-N 413.275 3.577 0 50 HHAA COc1cc(CN(C)C(=O)Nc2nc(COc3ccccc3OC)cs2)sn1 1875339006 SOSHYZGYFLGLIF-UHFFFAOYSA-N 420.516 3.860 0 50 HHAA O=C(NCCC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1c[nH]c2ncc(Br)cc12 2325839566 XRIIGWWXRCDQAW-CJKMCJCZSA-N 418.335 3.777 0 50 HHAA Cc1cc(OCc2cccnc2)ccc1NC(=O)NCCc1ccc(O)c(CO)c1 2325872524 BEPHGBHHUOYEPO-UHFFFAOYSA-N 407.470 3.531 0 50 HHAA COc1ccc(OC)c([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)c1 683368 YMTZXJCRWWZPDL-FQEVSTJZSA-N 424.482 3.722 0 50 HHAA COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(C2CCCCC2)n1N 1049780 RIGLTNUTUIZLRW-UHFFFAOYSA-N 409.943 3.741 0 50 HHAA O=C(c1cccc(NC(=O)C(F)(F)F)c1)c1cccc(NC(=O)C(F)(F)F)c1 1233584 OISPOUOYGSCKCI-UHFFFAOYSA-N 404.266 3.919 0 50 HHAA Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 4600307 FBYOEQUYTUOXGO-UHFFFAOYSA-N 414.458 3.952 0 50 HHAA CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccncc1 5312322 TUKCXCLOXMVNFL-UHFFFAOYSA-N 405.430 3.692 0 50 HHAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 11840629 XPHDCABCOCELDW-LJQANCHMSA-N 404.470 3.582 0 50 HHAA CCCC[C@@H](CC(=O)OCC)NC(=O)c1cc(COc2cccc(OC)c2)on1 11842335 BBVFVEWLYPDVSP-HNNXBMFYSA-N 404.463 3.504 0 50 HHAA CCN(CC)CC(=O)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 12209443 XANGEHRZIVVDRD-QFIPXVFZSA-N 400.611 3.797 0 50 HHAA CC[C@@H](Nc1ncnc2sc(C(=O)NCCN(C)C)c(C)c12)c1cccs1 12450363 ZBGWESZCPXMKSL-CYBMUJFWSA-N 403.577 3.916 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(Cc3ccccc3F)CC2)c(Cl)c1 12584803 YYRDIEBOSSGNFO-UHFFFAOYSA-N 420.912 3.899 0 50 HHAA O=C1CN(C2Cc3ccccc3C2)C[C@H](OCc2ccccn2)CN1C1CCCCC1 14531591 XDDPWSDYICWHCV-VWLOTQADSA-N 419.569 3.611 0 50 HHAA O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCc1csc(Cc2ccccc2)n1 14982270 AEQWFJVZASBNED-QHCPKHFHSA-N 423.538 3.615 0 50 HHAA COc1cccc(-c2cc(CC3(O)CCN(Cc4ccc5c(c4)CCO5)CC3)on2)c1 15070822 VCERQRQDHAWSRJ-UHFFFAOYSA-N 420.509 3.855 0 50 HHAA CCN[C@@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 15073070 BPHQHWQMNGESCW-CQSZACIVSA-N 407.461 3.992 0 50 HHAA C[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)O)c2C(=O)NCc2ccco2)C1 17082872 RCOVNFQMPDJWBQ-GFCCVEGCSA-N 404.488 3.589 0 50 HHAA CC(C)Cn1c(CN(C)C[C@@]2(c3ccccc3)CC2(C)C)cnc1S(C)(=O)=O 20600814 HSVGOHYJKLEKEK-JOCHJYFZSA-N 403.592 3.742 0 50 HHAA CN1C(=O)COc2cc3c(cc21)[C@H](c1ccc(Oc2ccccc2)nc1)CC(=O)N3 65420831 QOHJNDSWHFVVIE-INIZCTEOSA-N 401.422 3.703 0 50 HHAA CCOc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2=O)cc1 101159903 KUAFUXASZGPXCX-LJQANCHMSA-N 412.511 3.652 0 50 HHAA CC(C)(C)OC(=O)N[C@@H]1CN(CC(=O)Nc2ccccc2F)C[C@H]1c1ccccc1 225733940 PBZJMEUPKYCVNA-FXAWDEMLSA-N 413.493 3.757 0 50 HHAA COCCc1noc([C@H]2CCCCN2C(=O)CCc2nc3ccccc3s2)n1 952985896 IODGVBNIUFEWBF-OAHLLOKOSA-N 400.504 3.555 0 50 HHAA C=CC(=O)Nc1cccc(C(=O)Nc2cccc(I)c2C)c1 1466774833 NDFHPFMXDHHZCH-UHFFFAOYSA-N 406.223 3.976 0 50 HHAA CC(C)c1nc2ccc(-n3ccnc3-c3cnc(NC[C@@H]4CCCO4)nc3)cc2[nH]1 1800411802 OLZRAOXSXZHMGL-KRWDZBQOSA-N 403.490 3.920 0 50 HHAA O=C(c1cccnc1O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857705547 LVSKYVFSONTCBH-OAQYLSRUSA-N 423.557 3.889 0 50 HHAA O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1nn(-c2cccc(F)c2)ccc1=O 1875254685 QJUFDMDBXOOVCA-UHFFFAOYSA-N 417.322 3.519 0 50 HHAA COc1ccc(C)cc1C(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 1875264969 OIDGPZFLHPTSCZ-QFIPXVFZSA-N 409.507 3.927 0 50 HHAA CCOc1ccccc1C(=O)Nc1ccsc1C(=O)NCCCCn1ccnc1 2325737058 CZKJJYJEYMTEAM-UHFFFAOYSA-N 412.515 3.806 0 50 HHAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C1 2356145659 HDKKTHUKUOKCNP-DEOSSOPVSA-N 402.473 3.815 0 50 HHAA COc1cccc(C(=O)N2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)c1C 2356158380 ZQGNNCFUNHIOBU-RUZDIDTESA-N 406.526 3.844 0 50 HHAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4cnn(C)c4)c3n2)cc1 649055 HQQYSYGDZZFZDL-UHFFFAOYSA-N 410.428 3.648 0 50 HHAA NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1SCc1ccc(F)cc1 1059963 QXDMFVGKSQNRKR-HXUWFJFHSA-N 408.498 3.944 0 50 HHAA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1 1110890 DITMWHITOYIJPR-UHFFFAOYSA-N 408.951 3.523 0 50 HHAA C[C@@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccccc1 2960213 FPOBYXZVXQJBJO-GFCCVEGCSA-N 401.315 3.637 0 50 HHAA CC1=C(CCN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)C(C)(C)CCC1 12054347 JHNXZDPRHOVKEL-SFHVURJKSA-N 401.599 3.886 0 50 HHAA Cc1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)[nH]n1 12304735 WSOPNXBYRIYTFS-UHFFFAOYSA-N 406.534 3.713 0 50 HHAA Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1 12306576 XDWZQSFXSXZQIB-OAQYLSRUSA-N 416.525 3.966 0 50 HHAA COc1cc(C(=O)N[C@H](C)Cn2ccc3ccccc32)ccc1OC1CCN(C)CC1 12442535 JPYIFXKJMQGGMT-GOSISDBHSA-N 421.541 3.941 0 50 HHAA O=C([C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccc(O)cc2)C1)N1CCCC1 14745105 XVXTXZPNYKWQKU-VQTJNVASSA-N 412.505 3.671 0 50 HHAA COc1ccc(OC)c(CN2CCN(Cc3cccc(Br)c3)CC2)c1 19781845 BUZNUXVSZZPPEE-UHFFFAOYSA-N 405.336 3.784 0 50 HHAA CC[C@@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc(-c2ccc(C)cc2)ccc1=O 20095670 MMOBLEJHCQJXNH-NRFANRHFSA-N 407.470 3.826 0 50 HHAA COc1ccc(C[C@H](C)NCc2cc(NC(C)=O)cc(C(=O)N3CCCC3)c2)cc1 20322379 BGVBNGQOIGHKGO-KRWDZBQOSA-N 409.530 3.610 0 50 HHAA CCCOc1ccc(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1OCC 28629667 AMKMLKDMDJEACU-ZHZULCJRSA-N 421.522 3.862 0 50 HHAA Cc1cccc(C)c1NC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)CC1 239339174 LUIYJCWQDJMRHS-DWQCYQSMSA-N 418.537 3.854 0 50 HHAA CCCc1nc(C(=O)NCC2CCN(c3ncnc4sccc34)CC2)cs1 823023350 UVLJZBKDVXSZOR-UHFFFAOYSA-N 401.561 3.747 0 50 HHAA COc1ccc(CN(Cc2ccccn2)C(=O)CCc2n[nH]c3c2CCCC3)cc1 952861434 FUQCGJVZKPCONJ-UHFFFAOYSA-N 404.514 3.854 0 50 HHAA COc1cc(-c2onc(N(C)C)c2C(=O)N(C)CCN2CCCC[C@H]2C)ccc1F 1704311306 DTSNDLGSNHBUAP-OAHLLOKOSA-N 418.513 3.502 0 50 HHAA COc1ccc(CN2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)cc1 1857740517 QVVVZVLGYKKPHB-XMMPIXPASA-N 402.498 3.733 0 50 HHAA NCc1cncc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)c1 1875336189 UYXJAICQUHGJEM-UHFFFAOYSA-N 412.852 3.515 0 50 HHAA c1cncc(-c2nc(N3C[C@@H]4COC[C@]4(CN4CCCCC4)C3)c3ccccc3n2)c1 1875361388 YNANEQJCRVQCBH-NLFFAJNJSA-N 415.541 3.631 0 50 HHAA Cc1cc(C)n(CCC(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CCC(C)C)n1 2356137204 SBLFSDLKGMICNU-MLNNCEHLSA-N 414.594 3.554 0 50 HHAA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(NC(C)=O)cc2)cc1 987066 ASASZEAGFQWJBO-UHFFFAOYSA-N 417.531 3.708 0 50 HHAA CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(I)cc1 1050026 OGLUCGQGVRXQDW-CQSZACIVSA-N 422.266 3.643 0 50 HHAA Cc1ccc(CNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 2979834 BPFHNBSCQQYGAW-UHFFFAOYSA-N 408.523 3.815 0 50 HHAA O=c1[nH]c(CSc2nnc(-c3cccnc3)n2-c2ccccc2)nc2ccccc12 5126263 GFRDAYWEJOSXJD-UHFFFAOYSA-N 412.478 3.858 0 50 HHAA O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3Cl)nn2)C1 11761538 HFVMDKSFUXNRQW-HNNXBMFYSA-N 414.918 3.776 0 50 HHAA COc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(N4CCCC4=O)cc3)C2)cc1OC 11873021 OZQFKVWIKBTQCB-LJQANCHMSA-N 423.513 3.547 0 50 HHAA CC(=O)c1ccc(-c2nnc(CCC(=O)N[C@@H](c3cccnc3)C(F)(F)F)o2)s1 12441201 YAARIXROFKVTEA-INIZCTEOSA-N 424.404 3.748 0 50 HHAA C[C@H](NC(=O)c1cccs1)c1nnc(SCCOc2ccc(F)cc2)n1C 14966464 QJPUBYNTINBQDW-LBPRGKRZSA-N 406.508 3.678 0 50 HHAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN([C@H](C)CCSC)CC2)c1 15063112 OHOXUWAWULAMTD-QGZVFWFLSA-N 406.592 3.916 0 50 HHAA Cc1cnc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cnc(Br)n2)(C4)C3)s1 15931546 FCDIQWRUVJMVFV-GKUGFIGPSA-N 422.352 3.740 0 50 HHAA COC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 17093357 WTODHEYCRGJHGJ-UHFFFAOYSA-N 422.919 3.714 0 50 HHAA O=C1C[C@@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 18250427 NLSVFZPHOHCARU-MRXNPFEDSA-N 407.695 3.567 0 50 HHAA Cc1ccc(CNC(=O)CC[C@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)o1 23340384 RGNRPHUAJKZHBN-UPTIQUDWSA-N 416.543 3.697 0 50 HHAA Cn1c(C(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cc(Cl)c1Cl 170629483 DAKUBPIMGBPYJW-JTQLQIEISA-N 404.244 3.942 0 50 HHAA C[C@](Cc1ccccc1)(NC(=O)c1cc2cc(Br)ccc2[nH]1)C(=O)O 170671898 FBJQSXBGQOTEEI-LJQANCHMSA-N 401.260 3.746 0 50 HHAA CCCN1CCN(c2ccc(NC(=O)CSC(F)(F)F)c(OCC)c2)CC1 225555739 JJHCWINEFOZDDF-UHFFFAOYSA-N 405.486 3.809 0 50 HHAA Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(N4C[C@H](C)O[C@@H](C)C4)ccn3)[C@@H](C)CO2)c1 242273832 YGCYAZVOHWKQFF-XHOYROJHSA-N 423.557 3.914 0 50 HHAA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 247850545 RIHHIXCIPDDYGF-GVAFMPQTSA-N 415.442 3.802 0 50 HHAA O=c1cc(CN2CCC[C@H](c3nnc4ccccn34)C2)c2cc3c(cc2o1)CCC3 738320132 ZRXZVSAZVAZRQZ-SFHVURJKSA-N 400.482 3.704 0 50 HHAA CC(C)c1ccc(C[C@H](C)NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 766721450 USSFOPZXLRYJFK-INIZCTEOSA-N 419.616 3.978 0 50 HHAA Cc1cn2c(=O)c(C(=O)Nc3ccc(CC[C@H](O)c4ccccc4)cc3)cnc2s1 772763328 BAJFFIWVBFPCHW-FQEVSTJZSA-N 419.506 3.983 0 50 HHAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCC[C@@H](OCc3ccccn3)C2)no1 1506420975 CXDHZKRGAOKNMR-MRXNPFEDSA-N 401.898 3.613 0 50 HHAA CN1C[C@@H]2C[C@H](N(C)C(=O)CCc3ccc(-c4ccc(Cl)cc4)[nH]3)C[C@@H]2CC1=O 1529150961 CIZATSITOSEJHJ-FUHIMQAGSA-N 413.949 3.983 0 50 HHAA CC(F)(F)c1cccc(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)c1 1875309753 LRZYRFXACYIOCJ-UHFFFAOYSA-N 400.473 3.864 0 50 HHAA O=C(OCc1nnc(-c2ccco2)o1)c1cnnn1-c1cccc(Cl)c1Cl 1875340614 KOQZJENKTGVDCH-UHFFFAOYSA-N 406.185 3.574 0 50 HHAA O=C(CCCc1ccc2c(c1)CCCC2)NS(=O)(=O)c1ccn(-c2ccccc2)n1 1875343561 NDNUWLCDTYWNGX-UHFFFAOYSA-N 423.538 3.579 0 50 HHAA O[C@H](c1ccc(F)cc1)C1CCN(Cc2nc3cc(Br)cnc3[nH]2)CC1 2325733812 DYEIPKVVLXQVIF-GOSISDBHSA-N 419.298 3.805 0 50 HHAA O=C(CSc1nnc([C@H](O)c2ccccc2)n1-c1ccccc1)NC1CCCCC1 643221 MRMKBEWFMRDABX-OAQYLSRUSA-N 422.554 3.890 0 50 HHAA O=C(CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 778042 YHLRSBPWCVVCJF-HNNXBMFYSA-N 409.294 3.997 0 50 HHAA CCOc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1 902349 SRGNXIFBHILRSN-UHFFFAOYSA-N 410.495 3.919 0 50 HHAA O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccco1)Nc1ccc(F)cc1 1125683 VUKWUWKYYUZZFJ-LJQANCHMSA-N 407.401 3.785 0 50 HHAA COc1c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc(Cl)c1Cl 6144489 JDSCMNFHGSXQFP-UHFFFAOYSA-N 419.305 3.652 0 50 HHAA aggregator CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1 6697914 MYQVDLVSYWOORV-UHFFFAOYSA-N 423.557 3.961 0 50 HHAA CSc1ccc(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)cc1 11701353 MPMIVLJIODUEGT-SFHVURJKSA-N 417.552 3.895 0 50 HHAA COc1ccc(CC(=O)NC[C@@H]2Cc3cc(-c4ccc(C)cn4)ccc3O2)cc1OC 11785510 PBPYSXXVELTGCW-FQEVSTJZSA-N 418.493 3.737 0 50 HHAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCCC2=CCCCC2)c1 11878561 OWLMEQHSPQLTDP-UHFFFAOYSA-N 400.519 3.705 0 50 HHAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC12CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 12041576 YFKUPLOVEFUZLC-GOSISDBHSA-N 417.465 3.778 0 50 HHAA Cc1nc(C)c(C(=O)NC[C@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)s1 12042582 WWGAJWPPBLGJCS-OAHLLOKOSA-N 400.891 3.604 0 50 HHAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CC1CCN(C)CC1 12056920 OUXACKJYKVAILL-JOCHJYFZSA-N 403.586 3.661 0 50 HHAA CCOc1cc(CN(C)Cc2nnc(SCc3ccncc3)n2C)ccc1OC 12243807 LVYMBMSSTKYPTD-UHFFFAOYSA-N 413.547 3.542 0 50 HHAA COc1ccc(CCNc2ncnc3sc(C(=O)NCc4ccon4)c(C)c23)cc1 12279514 MFTWYRGOYBATOQ-UHFFFAOYSA-N 423.498 3.581 0 50 HHAA COc1ccc(OCc2cc(C(=O)NCCc3nc(C)c(C)s3)no2)c(Cl)c1 12430635 AIJZMMVMPLJTQL-UHFFFAOYSA-N 421.906 3.961 0 50 HHAA CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1 12837009 PNPPCZKMYDOURI-KRWDZBQOSA-N 408.454 3.919 0 50 HHAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cc(OC)c3c(c2)OCO3)C1 14947883 FTFNEYVOYXDDAF-HNNXBMFYSA-N 401.434 3.667 0 50 HHAA Cc1ccccc1CN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CCC1=O 14998551 VOWHZHHXUQTZJR-UHFFFAOYSA-N 419.569 3.856 0 50 HHAA Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCN(c2cnccn2)CC1 55386231 ZTSUBZBMRJIWIP-UHFFFAOYSA-N 403.408 3.781 0 50 HHAA COc1ccc([C@@H](C)NC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1 169780186 LQARMMFPWGAURO-CYBMUJFWSA-N 422.451 3.906 0 50 HHAA CC(C)(C)OC(=O)NCC1(C(=O)NCC2(c3ccccc3)CCCC2)CCOCC1 170594467 QRWHMCXSFPTWLG-UHFFFAOYSA-N 416.562 3.936 0 50 HHAA O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(N2CCCC2)c(F)c1 225438971 GPWXBISAKLJWNN-MRXNPFEDSA-N 412.383 3.788 0 50 HHAA CSc1ccc(O[C@@H](C)C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)cc1 328592411 HZVBMZBWKDMRLD-HSQYWUDLSA-N 414.571 3.706 0 50 HHAA COc1ccc(C(=O)C[C@@H](C)C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)cc1 410159322 UTBSZLBBFWZFHA-CYBMUJFWSA-N 415.877 3.726 0 50 HHAA CCCOc1ccc(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)c(OCCC)c1 430094503 KMLUXRFJEVBYQD-IERDGZPVSA-N 401.507 3.648 0 50 HHAA Cn1cnnc1C1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 498120004 WMZBABGOBDZJBM-UHFFFAOYSA-N 417.351 3.796 0 50 HHAA CN(Cc1nnc2ccccn12)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 743156306 XGMGKANKEAWSEH-UHFFFAOYSA-N 415.379 3.598 0 50 HHAA O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1ccc(-n2ccnc2)nc1 789890132 PXXHWILVFIAXLZ-INIZCTEOSA-N 416.312 3.973 0 50 HHAA CC[C@]1(C(=O)N2CCC(c3ccccc3)CC2)C[C@H]2CC[C@@H]1N2C(=O)C1CCOCC1 1704326440 WVYZDJRBAKVXIA-UMFSSWHCSA-N 424.585 3.979 0 50 HHAA Cc1onc(-c2ccncc2)c1C(=O)O[C@H]1CCN([C@H]2CCCc3ccccc32)C1=O 1875254209 GIXKQWAQXRNPIB-PMACEKPBSA-N 417.465 3.880 0 50 HHAA O=C(N[C@H]1CCc2n[nH]cc2C1)c1cc(-c2ccccc2F)nc2onc(C3CC3)c12 2325730467 IGKZUQBGWMLVMR-AWEZNQCLSA-N 417.444 3.917 0 50 HHAA CCN(CC)C(=O)c1cccc(NC(=O)c2cc(Br)c3nccn3c2)c1 2325823355 PBYNINBWRRMRQX-UHFFFAOYSA-N 415.291 3.831 0 50 HHAA CCN1Cc2ccccc2C[C@H]1C(=O)N1CCC2(CC1)OCCc1cccc(OC)c12 2356134226 FKDRRHTULYECJG-QFIPXVFZSA-N 420.553 3.532 0 50 HHAA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 1080773 LTWFZHRSQFIBBG-UHFFFAOYSA-N 423.420 3.909 0 50 HHAA O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1cccs1 1113976 XRVYLMULVVFHHA-UHFFFAOYSA-N 410.480 3.744 0 50 HHAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 1117888 UVBYYSANMQIZPC-UHFFFAOYSA-N 404.532 3.858 0 50 HHAA Cc1ccccc1N1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@@H]21 1295791 PYBHVKNHDKMSIR-IRXDYDNUSA-N 410.417 3.626 0 50 HHAA CCn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1ccccc1 2848299 ZCGONFKVUNIDDT-UHFFFAOYSA-N 423.542 3.532 0 50 HHAA COc1cccc(C(=O)Nc2ccc(C(=O)O)cc2NC(=O)c2cccc(OC)c2)c1 2881713 QEVFDLQXQHJKDA-UHFFFAOYSA-N 420.421 3.907 0 50 HHAA COc1cc(/C=C2\SC(=N)N(c3nccs3)C2=O)cc(Cl)c1OC(C)=O 4580468 BSOGXWZXHZVBBE-KBEFMPHXSA-N 409.876 3.786 0 50 HHAA CC(C)CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 5041286 BOPDQKHBHSKYOX-UHFFFAOYSA-N 400.972 3.826 0 50 HHAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CCn3c(=O)[nH]c4ccccc43)C2)cc1 11665298 JKEHYPYOAGMVPJ-HXUWFJFHSA-N 406.530 3.946 0 50 HHAA O=C(NCCCn1ccc2ccccc21)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 11666972 ZJAPDQLWRRGRPA-JOCHJYFZSA-N 403.526 3.629 0 50 HHAA Cc1c(C(=O)NCc2ccco2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 12163106 OJRQEAAERPRQMM-UHFFFAOYSA-N 422.466 3.864 0 50 HHAA CCN(CC)CCN(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12201997 SKZFFJATXLOGNG-UHFFFAOYSA-N 424.589 3.539 0 50 HHAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)Cn2cccn2)CC1 12304432 NJYYKCWTJHSKOF-UHFFFAOYSA-N 417.557 3.528 0 50 HHAA O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 12464584 HVQVUNOZAQNOSL-OAQYLSRUSA-N 412.461 3.974 0 50 HHAA CN(Cc1nc(COc2ccccc2)no1)CC1CCN(Cc2ccccc2)CC1 12715925 VPNFAPNWUVUYAT-UHFFFAOYSA-N 406.530 3.993 0 50 HHAA Cc1nn(C)cc1CN(C)[C@H](Cc1ccccc1)C1CCN(C(=O)c2ccco2)CC1 15001262 PCYFJADTPSVWBV-HSZRJFAPSA-N 420.557 3.917 0 50 HHAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)c1ccccc1F 15071311 XLGYBAPTKKUHNE-UHFFFAOYSA-N 411.477 3.737 0 50 HHAA COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@H]2O 15262534 GWDFJIBHVSYXQL-SYTFOFBDSA-N 416.470 3.978 0 50 HHAA biogenic,in-vitro Cc1nc(Cn2ccc(-c3cccc(-c4cncc(C(=O)N(C)C)n4)c3)n2)cs1 19228518 IROVLOHTWRDVIJ-UHFFFAOYSA-N 404.499 3.522 0 50 HHAA Cc1cc(C)n(-c2ccc(F)cc2CN2CCN(Cc3ccccc3)[C@H](CCO)C2)n1 38149286 VSPBXXAVMJANBD-XMMPIXPASA-N 422.548 3.697 0 50 HHAA CCc1nn2c(ncc3c(=O)n(NC(=O)c4ccccc4)ccc32)c1-c1ccccc1 40387915 YVKCJORAXNFWGZ-UHFFFAOYSA-N 409.449 3.658 0 50 HHAA c1ccc(N2CCN([C@@H]3CCCN(Cc4cccc(-n5cccn5)c4)C3)CC2)cc1 55307911 CWZXMHRGETYTKU-RUZDIDTESA-N 401.558 3.659 0 50 HHAA Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3c(F)cccc3Br)n2)c1 428610415 KCRZTOLMMJWNGB-SNVBAGLBSA-N 404.243 3.568 0 50 HHAA COc1ccc(Nc2nc(-c3cccnc3)nc3c2CCC3)cc1N1CCCC1=O 488384424 AJQHBWOHQAWTDO-UHFFFAOYSA-N 401.470 3.906 0 50 HHAA Cc1ccc([C@H](NC(=O)C2(N3CCOCC3)CCCCC2)c2cccnc2)cc1C 825145675 WZSIYGTWIZFKEW-QHCPKHFHSA-N 407.558 3.939 0 50 HHAA CCC1CCC(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)(C(=O)OC)CC1 1445300372 XATNNHPOVAHNBU-BXFSZVDSSA-N 412.571 3.944 0 50 HHAA CC(C)c1ccc(N2CCC(CNC(=O)COc3ccc(Cl)cc3)CC2)nn1 1506404973 SVMROSPMOANZTE-UHFFFAOYSA-N 402.926 3.665 0 50 HHAA CC(F)(F)CCCn1ccnc1CCC(=O)Nc1nc(-c2ncccn2)cs1 1875387357 DECSBQZVOXALTG-UHFFFAOYSA-N 406.462 3.803 0 50 HHAA COc1cccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)c1 2356155403 FUMROZNYCXOKLZ-KJBBBAAKSA-N 418.537 3.780 0 50 HHAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1Br 832313 WZTQGCSTUMSKPC-MRXNPFEDSA-N 409.280 3.571 0 50 HHAA CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)ccc1O 845729 URAZWSUNFCBGDP-GOSISDBHSA-N 417.918 3.876 0 50 HHAA COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12 996582 OZXGKZPERBZZSZ-UHFFFAOYSA-N 400.154 3.964 0 50 HHAA O=C(Nc1c(C(=O)NCc2ccco2)cnn1-c1ccccc1)c1ccc(F)cc1 1148061 HKSARJVFQXCQOX-UHFFFAOYSA-N 404.401 3.787 0 50 HHAA COC(=O)c1cn(C(=O)c2cccc(I)c2)c2ccccc12 1173872 DEAVXXQBRXEIPB-UHFFFAOYSA-N 405.191 3.721 0 50 HHAA Cc1[nH]c2c(Cl)cccc2c1CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 1430699 GMEGTEFXUGHRQN-UHFFFAOYSA-N 416.886 3.757 0 50 HHAA COC(=O)C1(C(=O)OC)[C@@H](/C=C/c2ccc(OC)cc2)[C@]1(C)C(=O)c1ccc(C)cc1 1441079 JXEXCTWSULYEKG-GBISVBOJSA-N 422.477 3.868 0 50 HHAA CCCCc1ccc(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 2853549 VTLBLFZXELAPRO-INIZCTEOSA-N 404.532 3.831 0 50 HHAA CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2cccnc2)cc1 4819097 MQSSVQRINYBBIZ-UHFFFAOYSA-N 415.902 3.954 0 50 HHAA Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)c1cccc(-n3cccn3)c1)C2 11971583 XBCHROXHXQUHKD-OAQYLSRUSA-N 410.477 3.976 0 50 HHAA COc1ccc(CC(=O)NC[C@@H]2Cc3cc(-c4cccnc4)cc(F)c3O2)cc1OC 12149989 WQRZMCGSLCXIFK-IBGZPJMESA-N 422.456 3.567 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)c1 12316642 QWDWKHRIYQUHTF-IBGZPJMESA-N 420.557 3.891 0 50 HHAA COc1ccc(NC(=O)CCC2CCN(C(=O)c3ccoc3C)CC2)c(OC)c1 12595353 WYBPNANGYYYZHH-UHFFFAOYSA-N 400.475 3.876 0 50 HHAA O=C(NCCc1cccnc1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 15004784 JIQKHLYHJZAXHY-UHFFFAOYSA-N 416.510 3.636 0 50 HHAA Cc1ccc(-c2nnc(CCC(=O)N[C@H](Cn3ccnc3)c3ccccc3)o2)s1 19111213 YTRQUZXBQWDDCV-QGZVFWFLSA-N 407.499 3.793 0 50 HHAA CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1NCCCN1CCOCC1 19792955 DAOULEHZLBPMOR-UHFFFAOYSA-N 411.424 3.565 0 50 HHAA Cc1nn(C)cc1[C@@H](C)NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 20602438 CSSCVVXKDHIDPY-SNVBAGLBSA-N 420.439 3.555 0 50 HHAA COc1ccc(-n2ccnc2CN(C)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 22914125 HXFVDWDGYXMZDK-HSZRJFAPSA-N 416.569 3.945 0 50 HHAA CCn1c(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)nc2ccccc21 23375460 HIZUDPWVAHSKOT-HXUWFJFHSA-N 421.564 3.982 0 50 HHAA O=C([C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCCCC1 82127218 PAVSQWRGQBNVCP-QHCPKHFHSA-N 412.622 3.941 0 50 HHAA CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1 95537775 WBKCKEHGXNWYMO-UHFFFAOYSA-N 417.513 3.509 0 50 HHAA in-vitro O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1CN1CCC[C@@H]1CO 170610648 QZBGWHXOWHIDJF-YADHBBJMSA-N 423.582 3.802 0 50 HHAA COc1ccc(-c2noc(CCCC(=O)N3CCC[C@@H]3[C@H]3CCCC[C@H]3O)n2)cc1 252571703 YLARIWDLJNEZMJ-VAMGGRTRSA-N 413.518 3.610 0 50 HHAA COc1cccc(C2(C(=O)N[C@H]3C[C@H](C)S(=O)(=O)c4sccc43)CCCC2)c1 427982138 FPWAQIBEESNNKV-KSSFIOAISA-N 419.568 3.992 0 50 HHAA CCn1nc(C)c([C@@H](C)NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c1C 670468163 HPGQWOPLHRLTJF-CQSZACIVSA-N 402.520 3.831 0 50 HHAA COc1ccc(NC(=O)C(C)C)c(NC(=O)c2cnn(-c3ccccc3OC)c2)c1 952975928 MBDONEJVIRUVKR-UHFFFAOYSA-N 408.458 3.736 0 50 HHAA CCOc1ccc(N(C(=O)[C@H]2CCCS2(=O)=O)c2nc3ccccc3s2)cc1 1350597569 BKFHZCDOGANLNU-GOSISDBHSA-N 416.524 3.937 0 50 HHAA O=C(NCc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1cnc2nccn2c1 1361143883 DHXSCZFZFOWCCS-UHFFFAOYSA-N 422.872 3.771 0 50 HHAA Cc1ccn(CCC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)n1 1704335474 AMOGAWIJMPGLQL-XMMPIXPASA-N 401.514 3.545 0 50 HHAA COc1ccc(Br)cc1/C=c1\sc2nc3cc(C)c(C)cc3n2c1=O 1022993 ZWOFBBQCJMJXJR-MFOYZWKCSA-N 415.312 3.845 0 50 HHAA COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CO[C@H](C(C)C)C4)cc1 1128325 HNASEONELFJYMJ-INIZCTEOSA-N 410.499 3.509 0 50 HHAA CCOc1ccc(NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1144827 VHDLUXBUDWDJGF-UHFFFAOYSA-N 424.522 3.742 0 50 HHAA COc1ccc(/C=C2/SC(=O)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1 1184580 MEWMMGOXTQGLCE-QGOAFFKASA-N 412.467 3.856 0 50 HHAA COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2)cc1OC 4821058 FBKITJUUISLMTI-UHFFFAOYSA-N 415.453 3.658 0 50 HHAA O=C(CCn1cnc2ccccc21)N[C@H]1CCCc2c1cnn2-c1ccccc1F 11663964 RTWZWTZCUBFDTG-SFHVURJKSA-N 403.461 3.945 0 50 HHAA CCc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1 11697239 NTUHWYBFKMJARC-UHFFFAOYSA-N 417.517 3.840 0 50 HHAA O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 11818981 QNXRVFHOBFRBQZ-INIZCTEOSA-N 404.470 3.649 0 50 HHAA O=C(CC1CCCC1)NC[C@@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1 11841718 YLTLVOKCFFYDGO-FQEVSTJZSA-N 402.510 3.676 0 50 HHAA CCN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccccc2C)c1=O 11964786 BESQDPJNVZJWJU-UHFFFAOYSA-N 409.530 3.684 0 50 HHAA Cc1c(C(=O)N2CC[C@@H](N(C)C)C2)sc2ncnc(NCCCc3ccccc3)c12 12163124 MMCBKGIYEGWPLE-GOSISDBHSA-N 423.586 3.821 0 50 HHAA O=C(C1CCN(C2CCN(Cc3nc4ccccc4s3)CC2)CC1)N1CCCC1 14959230 PLZOLZGYDBANQT-UHFFFAOYSA-N 412.603 3.595 0 50 HHAA C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CC[C@@H](C)C2 17087441 FVNWFVJGTYFRCU-CHWSQXEVSA-N 406.548 3.985 0 50 HHAA COc1cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)ccc1F 20234053 PIBJGTDDZKGXKY-WXVUKLJWSA-N 410.489 3.781 0 50 HHAA Cc1ccc(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2ccnn2C)cc1C 20614362 LAUIUYZKLSLZEN-UHFFFAOYSA-N 401.507 3.610 0 50 HHAA CCNC(=O)[C@@H]1C[C@@H](NCc2ccc(SC)cc2)CN1Cc1ccccc1Cl 32540709 BRTAIAWAOFNFNP-NQIIRXRSSA-N 418.006 3.931 0 50 HHAA CCOc1ccc([C@H]2Cn3nnc(-c4nc(-c5cccc(C)c5)no4)c3CO2)cc1 169773168 ZHSXPZIPMIBRGD-LJQANCHMSA-N 403.442 3.974 0 50 HHAA O=C(Cc1ccc(F)cc1)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 225444794 AKVFHQSBWZSJAM-HNNXBMFYSA-N 420.200 3.999 0 50 HHAA CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCCCN1CCCC[C@H]1C 248264747 XJEALIUWFHBSEA-XLIONFOSSA-N 407.986 3.865 0 50 HHAA Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(O)cc2)c2ccccc21 263586365 SYNBYSKVVZJCAM-IBGZPJMESA-N 409.486 3.958 0 50 HHAA biogenic N=C(O)c1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc(OCc3cccs3)c2)C1 328604659 KSUWGZUTPITPPZ-OAHLLOKOSA-N 410.499 3.953 0 50 HHAA O=C(OCc1nn(-c2ccccc2)c2c1CCC2)c1csc(-c2cnccn2)n1 728380853 WINQZPRCKIPDCE-UHFFFAOYSA-N 403.467 3.632 0 50 HHAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CCC[C@H](COC)C1 1704312769 ZCGMLNYEHKKXQV-AWEZNQCLSA-N 407.898 3.552 0 50 HHAA C[C@H](C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 1857531322 IAMBCSFKKGSRDN-HNNXBMFYSA-N 421.946 3.917 0 50 HHAA Cc1onc(-c2c(Cl)cccc2Cl)c1CN1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857668793 BKXMZJFGCQWTGD-HXPMCKFVSA-N 411.285 3.880 0 50 HHAA O=C1NCCC[C@]12CN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC[C@@H]2O 1857694161 CQJPEYUQFUMUNB-RBBKRZOGSA-N 400.906 3.595 0 50 HHAA Cn1cc(Cl)cc1C(=O)NC1CC2(CCN(C(=O)c3cc4ccccn4c3)CC2)C1 1875327000 OJEUOSJWQSPZIR-UHFFFAOYSA-N 424.932 3.746 0 50 HHAA CC(C)(C)OC(=O)N[C@H]1CCN(c2ccnc(N3CCC(C4CCC4)CC3)n2)C1 1875330648 XEPHPZIHPDSRCZ-SFHVURJKSA-N 401.555 3.597 0 50 HHAA C[S@](=O)Cc1c(C(=O)Nc2cccc3c2OCC[C@H]3O)sc2ccccc12 2325738513 MHWXLVBJLJAKMM-JWIGPWBQSA-N 401.509 3.848 0 50 HHAA Cc1cc(Nc2nccc(N3CCC[C@H](O)C3)n2)n(-c2cc(C)c3ccccc3n2)n1 2356149506 FDLDFORAPCSIMU-KRWDZBQOSA-N 415.501 3.532 0 50 HHAA O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 814071 BHSYPXUZYLJMOS-UHFFFAOYSA-N 422.550 3.599 0 50 HHAA O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1123631 YDPGZXGMSMKYGF-HNNXBMFYSA-N 421.931 3.742 0 50 HHAA aggregator CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCCc2ccccc2)c(OC)c1 1128547 PNCCOBRIMHWZEW-NRFANRHFSA-N 410.470 3.508 0 50 HHAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(C)c2Cl)CC1 1131334 WXXZZQHSCWJRJN-UHFFFAOYSA-N 415.342 3.821 0 50 HHAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2757078 UPNCJAGKAHYGAH-VXKWHMMOSA-N 404.510 3.587 0 50 HHAA CCOc1ccc(N2C(=O)C[C@H](Sc3nc(-c4cccc(C)c4)n[nH]3)C2=O)cc1 5408551 LNYWMOOANWIOGL-KRWDZBQOSA-N 408.483 3.603 0 50 HHAA CCc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cccc(C)n3)nn2)CC1 11697240 DPPLLVHCIYNHFG-UHFFFAOYSA-N 417.517 3.840 0 50 HHAA COc1cc(CNC(C2CC2)C2CC2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 11753896 GDZOQCLKEUBKBW-QFIPXVFZSA-N 416.606 3.978 0 50 HHAA CN(C(=O)c1cn(Cc2cccc3ccccc23)nn1)C1CC(C)(C)NC(C)(C)C1 12030805 LWSUKCWNNLTQTF-UHFFFAOYSA-N 405.546 3.861 0 50 HHAA CCCn1ncc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C 12596346 QMORCQAOTCEDPH-UHFFFAOYSA-N 410.562 3.881 0 50 HHAA COC(=O)c1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1 20117833 QLFGVQRIYTUAGX-HSZRJFAPSA-N 407.558 3.568 0 50 HHAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(Cc2ccccc2)[C@@H](CCO)C1 22913351 XZVKUQKLYWSWFI-DEOSSOPVSA-N 422.548 3.697 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1 23095827 PPCKKCFOVYEYIY-UHFFFAOYSA-N 417.981 3.874 0 50 HHAA O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(F)c1 23382405 SSUSHHKAPOPJHE-HXUWFJFHSA-N 415.428 3.687 0 50 HHAA O=C(c1ccccc1F)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169778639 ROQXWLBMRLZNNS-UHFFFAOYSA-N 418.432 3.612 0 50 HHAA CON(C)S(=O)(=O)c1cccc(C(=O)N2CCCCC[C@H]2c2ccc(C)o2)c1 170634360 DKRARKVRJOMIEF-SFHVURJKSA-N 406.504 3.527 0 50 HHAA CSc1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c1 218518209 RRNHBXOTWFBSBK-JOCHJYFZSA-N 409.511 3.735 0 50 HHAA O=C(Nc1ccccc1Cl)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 239203441 SJTPZESSUTXFJT-NHUSPQTBSA-N 422.912 3.921 0 50 HHAA CCC1CCC(N(CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)c2ccc(F)cc2)CC1 252504700 CWVNGBSHLZZPPF-DQOAATFDSA-N 405.558 3.750 0 50 HHAA Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@H](CO)Cc4ccccc4)c(C)c3cc12 253414730 YJTXLKTUINSUOB-SFHVURJKSA-N 419.477 3.727 0 50 HHAA biogenic CCS(=O)(=O)c1cccc(CC(=O)N2CCS[C@H](C)[C@H]2c2ccccc2)c1 461011188 BXYIVMAXOSXLAM-IERDGZPVSA-N 403.569 3.728 0 50 HHAA CCOc1ccc(C2(CNC(=O)N[C@@H]3CCc4c(O)cccc43)CCOCC2)cc1 465741589 HJMIBADLAUSDLP-OAQYLSRUSA-N 410.514 3.826 0 50 HHAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 486014111 ZKDWDGXXIGVMPJ-OAQYLSRUSA-N 424.460 3.759 0 50 HHAA CC(C)(C)C1CCC(C(=O)NCC2CCN(C(=O)c3ccc(O)nc3)CC2)CC1 952992065 YWLGQVYQBWHOQA-UHFFFAOYSA-N 401.551 3.608 0 50 HHAA COc1ccc(-c2ocnc2C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)cc1 1857701974 URRKAXDFDPASBJ-UHFFFAOYSA-N 414.465 3.981 0 50 HHAA COc1ccccc1N(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1 1147203 AFYVQPHDDRNTHU-UHFFFAOYSA-N 410.495 3.838 0 50 HHAA Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c(Br)c1 1167172 JECDQQYQRUAHCT-UHFFFAOYSA-N 419.319 3.920 0 50 HHAA CC(C)(C)c1cc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)no1 4841120 CGHUTTPUAUNLME-UHFFFAOYSA-N 409.483 3.538 0 50 HHAA Cc1ccc2[nH]c(SCC(=O)N[C@@H]3CCCN(Cc4ccccc4F)C3)nc2c1 11664597 YNMRAJXILJVQSV-QGZVFWFLSA-N 412.534 3.883 0 50 HHAA O=C(CCC1CCN(C(=O)c2scc3c2CCCC3)CC1)NCc1cccnc1 11874055 PLXZRGMDBRFXTE-UHFFFAOYSA-N 411.571 3.971 0 50 HHAA Cc1nn(C)cc1[C@H](C)NC1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 11911041 VDIKRMWWARNSPX-KRWDZBQOSA-N 409.578 3.721 0 50 HHAA Cc1ccccc1[C@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1ccncc1 11938193 IHOMQITWUGVNHI-JOCHJYFZSA-N 419.435 3.827 0 50 HHAA Cc1cccnc1CNC(=O)CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1 12152095 SMHITAOCXKZXRZ-VWLOTQADSA-N 401.510 3.831 0 50 HHAA COc1ccc(CCN2CCC(CN(C)C(=O)c3ccnc(Cl)c3)CC2)cc1 12443105 OGAQKZDDTJISBD-UHFFFAOYSA-N 401.938 3.770 0 50 HHAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccccc1)CC2 14745829 MOZOACKSJKSKOC-UHFFFAOYSA-N 406.530 3.537 0 50 HHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(Cc2cnc(SC)nc2)C1 14958019 BGBMPEIEYACYKP-NRFANRHFSA-N 421.513 3.865 0 50 HHAA CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12 19733364 NAEXLICUXPUTJS-UHFFFAOYSA-N 410.539 3.745 0 50 HHAA CCOC(=O)[C@@H](C)C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O 34059939 PYNXFZCZUAOOQC-LAUBAEHRSA-N 411.498 3.835 0 50 HHAA in-vitro CC(C)NS(=O)(=O)c1ccc2c(c1)nc(-c1cc(C(C)(C)C)[nH]n1)n2C(C)C 82092294 JISBEHRNOWPWIO-UHFFFAOYSA-N 403.552 3.992 0 50 HHAA CC(=O)C(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1 82161650 DXFCOBPXAOOYHX-JOCHJYFZSA-N 412.489 3.729 0 50 HHAA CCOc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(OC)cc5)no4)c3CO2)cc1 169758427 DAFYXNDWUCQOJC-IBGZPJMESA-N 419.441 3.674 0 50 HHAA CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1c(Cl)ccc2scnc12 170597002 SNJSSMBSLGYPIO-UHFFFAOYSA-N 418.931 3.956 0 50 HHAA CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)Nc2ccc(CNc3ccccc3)cc2)=NO1 225581913 IELPNBNSZORJLF-IBGZPJMESA-N 424.501 3.907 0 50 HHAA Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CC(=O)N(C4CC4)C3)cc12 225741148 LBFWXWLWDRGMSU-UHFFFAOYSA-N 414.918 3.512 0 50 HHAA COc1ccc([C@H]2CCCN2C(=O)CCc2nc(O)c3ccccc3n2)cc1OC 253613634 VSTXDBCPSKANFS-GOSISDBHSA-N 407.470 3.649 0 50 HHAA C[C@@H](CNC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)c1ccccc1 263619105 WYJIOTUFSRVEHL-SFHVURJKSA-N 417.557 3.744 0 50 HHAA CC1(C)C[C@H](C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)CCO1 299770199 QFJSKZJYZRUYPF-TZIWHRDSSA-N 418.553 3.661 0 50 HHAA C[C@H]1c2cccn2CCN1C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 328589856 LDUUYHUBAQPLLC-KRWDZBQOSA-N 422.554 3.594 0 50 HHAA COc1ccc2nc(C)c(C(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)cc2c1 771641672 QDEAGEVCONJUOP-UHFFFAOYSA-N 408.473 3.901 0 50 HHAA Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(NC[C@@H](O)CN(C)C)c2c1C 915213979 WLCLZFGUPUXCIG-CQSZACIVSA-N 422.501 3.911 0 50 HHAA Cc1c(Cl)cccc1NC(=O)CC(=O)N1CCCN(Cc2cccc(F)c2)CC1 1506416804 GLZZKDGBCFZCDU-UHFFFAOYSA-N 417.912 3.851 0 50 HHAA Cc1nc(C[C@H]2CCCN(c3nc4ccc(Cl)cc4o3)C2)n(-c2ccnn2C)n1 1857671510 ZOMBCDWHAMCHLK-CQSZACIVSA-N 411.897 3.563 0 50 HHAA CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)cc1 1857716154 YYFVEAYAVNENGN-SVFBPWRDSA-N 400.906 3.683 0 50 HHAA CCOc1ccc(NC(=O)C[C@H]2SC(=N)N(c3ccc(OCC)cc3)C2=O)cc1 1857799272 UQJIXIPTAYUPFA-GOSISDBHSA-N 413.499 3.896 0 50 HHAA COc1cc(C(=O)Nc2ccc(OC[C@H]3C[N@]3CC(C)C)cc2)cc(OC)c1OC 1875385397 SDKAZASUIFCHEO-CJAUYULYSA-N 414.502 3.684 0 50 HHAA Cc1cc2oc(-c3ccc(Cl)cc3)c(CC(=O)O)c2c(=O)n1CCCC(=O)O 2049513413 QVFTVUUHMKWRQF-UHFFFAOYSA-N 403.818 3.715 0 50 HHAA Cc1cc(C)c(C(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c(C)c1 623112 VDUIHCOZPASLMO-UHFFFAOYSA-N 402.545 3.744 0 50 HHAA Cc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 652934 IDOWXAQPEYJKLD-UHFFFAOYSA-N 408.523 3.849 0 50 HHAA O=C(CCn1cnc2ccccc2c1=O)Nc1nnc(SCc2ccccc2)s1 1071736 XTIVLFATXKNKIW-UHFFFAOYSA-N 423.523 3.569 0 50 HHAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2Cl)c1 1177330 ZXIMPOONCHTJAP-GOSISDBHSA-N 417.918 3.789 0 50 HHAA CCCCOc1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1OC 2375230 BINHOXPZIAVTRN-SFQUDFHCSA-N 413.524 3.615 0 50 HHAA Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2846609 IVVGTHRWTCLZDD-UHFFFAOYSA-N 419.553 3.983 0 50 HHAA COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 4578113 DUKKLCXROMDWSL-UHFFFAOYSA-N 424.994 3.624 0 50 HHAA CC(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 5614105 DCXCGORUUGMHBZ-ZWOKBUDYSA-N 406.404 3.914 0 50 HHAA O=C(c1cccc2ccccc12)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697944 AUIVDAGGUFYZRX-UHFFFAOYSA-N 410.481 3.731 0 50 HHAA CCCCn1c(CN(C)CC2CCOCC2)cnc1S(=O)(=O)CCCC(C)C 11819441 RLSJAKCURBFFIV-UHFFFAOYSA-N 413.628 3.752 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccc(N(C)C)cc2)C1 11873961 YPGXWPLYLRDBMH-XMMPIXPASA-N 412.505 3.920 0 50 HHAA COc1ncccc1C(=O)N1CCC(CCC(=O)NCc2cccc(Cl)c2)CC1 12030183 XPHOFQAMNPDBTC-UHFFFAOYSA-N 415.921 3.692 0 50 HHAA CC[C@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCc1ccc(Cl)cc1)C2 12056930 RKECDGWJWFUYAC-WCQYABFASA-N 419.934 3.843 0 50 HHAA Cc1c([C@@H](C)NC(=O)CCCN2CCCC2=O)cnn1-c1cccc2ccccc12 12207386 SBWXSXHNMLJFRF-QGZVFWFLSA-N 404.514 3.914 0 50 HHAA Cc1c(C(=O)N2CCC(O)CC2)sc2ncnc(NCCCc3ccccc3)c12 12244815 PVHLBIKGYCYBKP-UHFFFAOYSA-N 410.543 3.641 0 50 HHAA Cc1ncoc1C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 12459203 TUYGPMOQNKKDAD-UHFFFAOYSA-N 421.501 3.618 0 50 HHAA COc1cc(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c(OC)cc1Cl 14196196 WBKXXROZPFQBIL-UHFFFAOYSA-N 417.937 3.735 0 50 HHAA Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)c2)s1 14979938 CSLZIAXXPPSKMY-SFHVURJKSA-N 410.543 3.881 0 50 HHAA Cc1noc(C)c1CC(=O)N1CCC[C@@H]2CN(C(=O)CCCc3ccccc3)CC[C@@H]21 14996616 SVUJQDTYAFHOGP-GGAORHGYSA-N 423.557 3.696 0 50 HHAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)CC1 67770902 PSWURDLASJCZPB-OAQYLSRUSA-N 418.541 3.603 0 50 HHAA COc1cc2c(cc1OC)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)[C@@H](CC(C)C)CN1CC2 114741564 GEJDGVNQKABXKG-UDSSINMLSA-N 418.578 3.564 0 50 HHAA in-vitro COc1ccc(Cl)cc1C(=O)N[C@@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1 169754253 TZGWIAMSFAQJKQ-CYBMUJFWSA-N 402.907 3.809 0 50 HHAA Cc1nc(COc2ccc(/C=C/C(=O)N3CCCC[C@@H]3CC(=O)O)cc2)cs1 170593185 XZBXWMKJGSRIIT-RUJXFNLJSA-N 400.500 3.900 0 50 HHAA CC[C@H](N[C@H](C)c1nnc(-c2ccccc2F)s1)c1cccc(S(N)(=O)=O)c1 170616892 PTQICLHGDRUWCO-PXAZEXFGSA-N 420.535 3.794 0 50 HHAA CC[C@H](C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCCCC[C@H]32)C(=O)NC1=S 229919834 FAXHGYNNSDBMHI-IBNJYYFUSA-N 419.978 3.673 0 50 HHAA C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](c1ccccc1)c1nnc[nH]1 253419147 JZFSZIXWHHXPHF-FZKQIMNGSA-N 403.408 3.920 0 50 HHAA COc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc6c(c5)OCO6)no4)cc3CO2)cc1 263615831 FKDCNUDKPXNVQY-HXUWFJFHSA-N 418.409 3.609 0 50 HHAA COc1ccccc1-c1ccc(C(=O)O)c(N2CCN(c3ccccc3F)CC2)n1 299757046 HXJJVNVRDRGRCX-UHFFFAOYSA-N 407.445 3.921 0 50 HHAA CSc1nc(C(=O)N2CCC[C@@H]3CN(C(=O)c4ccccc4)CC[C@@H]32)cs1 299790017 AUZDAPMFQIPZBZ-WBVHZDCISA-N 401.557 3.632 0 50 HHAA Cc1cc([C@H](NC(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)C2CC2)ccc1F 479921471 QCYDDHZJMUBBHF-QVKFZJNVSA-N 408.477 3.683 0 50 HHAA O[C@H]1CN(Cc2ccccc2OCc2c(F)cccc2Cl)C[C@@H]1N1CCCC1 828896608 AAZQCGMYTVPVKR-SFTDATJTSA-N 404.913 3.699 0 50 HHAA Cc1cccc(-n2ncc(C(=O)NCC(=O)OCc3ccccc3)c2C(F)(F)F)c1 843518145 SRJHITGLFIPMPU-UHFFFAOYSA-N 417.387 3.673 0 50 HHAA Cn1ccc2c(C(=O)N3CCO[C@@H](CN4CCCC4)[C@@H]3c3ccccc3)cccc21 1857738041 OYLOPZFMWBCLBK-ZEQRLZLVSA-N 403.526 3.856 0 50 HHAA N[C@H](CCNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)Cc1ccccc1 2325866216 DNMJBMNLMXRYHC-OAQYLSRUSA-N 414.981 3.564 0 50 HHAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 844407 QWRRGCMLBCNIRF-AVRDEDQJSA-N 422.481 3.616 0 50 HHAA biogenic Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 974226 QEPKJDWRLSGDDS-GJZGRUSLSA-N 410.392 3.701 0 50 HHAA biogenic,in-vitro O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1Cl 1175689 RCDSKEGCHYBMJY-UHFFFAOYSA-N 422.293 3.976 0 50 HHAA COCCn1c(C)cc(C(=O)CSc2nnc3sc4ccccc4n23)c1C 1802733 NTHWGGQNWZZBAJ-UHFFFAOYSA-N 400.529 3.984 0 50 HHAA CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCc1ccccc1-3 2214661 KYOLXMYEOSEHOU-UHFFFAOYSA-N 413.568 3.721 0 50 HHAA COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1Cl 4701834 RIEQOAZGLCNLDN-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA CCCCOc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)NCCCO)cc1 4801804 KDVMAYKPUPQRAR-RNEIAKJQSA-N 422.525 3.691 0 50 HHAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@H]1CC(=O)c2ccccc21 12706877 GLQKNOKMSUCPSS-QHCPKHFHSA-N 408.517 3.909 0 50 HHAA O=C1CC[C@@H](N2CCN(c3ccc(F)cc3)CC2)CCN1Cc1ccc(F)c(F)c1 14991516 VMWLSQVDCYAHMB-HXUWFJFHSA-N 417.475 3.807 0 50 HHAA O=C(NCc1ccco1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCC2 17090652 GTUFFAQCMFLGQJ-UONOGXRCSA-N 416.499 3.589 0 50 HHAA COc1cc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)cc(OC)c1O 19549414 WZXZMABMHOMLOA-UHFFFAOYSA-N 406.482 3.521 0 50 HHAA CCNC(=O)[C@@H]1C[C@H](NCc2ccccc2C(F)(F)F)CN1Cc1ccccc1 20119112 UJGGCVWVCXQTIZ-ICSRJNTNSA-N 405.464 3.574 0 50 HHAA CC(C)C1=NO[C@@H](C(=O)N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)C1 20599046 FFFHGJMJCMXNIF-GOSISDBHSA-N 412.452 3.650 0 50 HHAA O=C(NCc1cccnc1)C1CCN(C2CCN(C/C=C/c3ccccc3)CC2)CC1 23339628 AIOYQLWQSZFKPY-WEVVVXLNSA-N 418.585 3.588 0 50 HHAA Cc1oc(-c2ccc(F)cc2F)nc1CN1CCNC(=O)[C@H]1c1cccc(F)c1 39516250 FWFBOGDUVSPKKL-LJQANCHMSA-N 401.388 3.740 0 50 HHAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(C[C@H]2CCCO2)CC1 67856489 DBCNTGHMNPOGHK-GOSISDBHSA-N 409.452 3.965 0 50 HHAA COc1cccc(-c2cc(-c3nc([C@H]4CC(=O)N(C5CCCCC5)C4)no3)[nH]n2)c1 169762213 FENTVHACBQAAIC-HNNXBMFYSA-N 407.474 3.784 0 50 HHAA NC(=O)CCc1nnc(SCCCc2cncc3ccccc23)n1Cc1ccco1 170597174 IPKCAKCLAJABFA-UHFFFAOYSA-N 421.526 3.610 0 50 HHAA C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 170623111 XZGYRANEBLFPOQ-IGKOOGGESA-N 412.599 3.973 0 50 HHAA Cc1cc(C)nc(N2CCC[C@H](C(=O)N[C@@H](c3nc4ccccc4n3C)C(C)C)C2)n1 252489005 JDNZDALQCFDGCF-GHTZIAJQSA-N 420.561 3.710 0 50 HHAA O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 257199270 XXEFNKUKVVUJPS-JFSTXAPLSA-N 403.530 3.507 0 50 HHAA CN(C(=O)c1ccc(Br)nc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 791106466 QZXONLKDVBWTCP-AWEZNQCLSA-N 412.328 3.706 0 50 HHAA C=CC(=O)Nc1cccc(C(=O)N2CCc3c(F)cc(Br)cc3C2)c1 1465976315 NHOHJMVFTPSRQX-UHFFFAOYSA-N 403.251 3.911 0 50 HHAA COc1cccc([C@@H](O)CN(Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)c1 2325742837 YDTNNOUWLBZDKR-DQEYMECFSA-N 407.510 3.973 0 50 HHAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccc(C)nc4)C3)[C@@H]3CCCCN23)c1 2356157732 OPTAQDNRYIHQOO-NJRQHTIISA-N 419.569 3.956 0 50 HHAA O=S(=O)(Nc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1 694703 AIHMUJTWBROTHC-UHFFFAOYSA-N 424.450 3.566 0 50 HHAA CCCC(=O)Oc1ccc(N(C(=O)CCC)S(=O)(=O)c2ccc(OC)cc2)cc1 822160 NJQPECIPUFUMSJ-UHFFFAOYSA-N 419.499 3.923 0 50 HHAA COc1cc(C(=O)Nc2nnc(C(C)C)s2)c(Br)c(OC)c1OC 943765 FSUSNJURARBXJZ-UHFFFAOYSA-N 416.297 3.702 0 50 HHAA CCOc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1 1051273 KLWAFMTUKAYNAX-UHFFFAOYSA-N 412.511 3.888 0 50 HHAA COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)c1 1146681 BWZNITRNYILQFO-HXUWFJFHSA-N 411.527 3.752 0 50 HHAA COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)c1 1188519 LMNMIBGZBLXLAU-IBGZPJMESA-N 415.877 3.932 0 50 HHAA COc1ccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 1778259 CCIODYMBFQRCQV-ZDUSSCGKSA-N 402.516 3.778 0 50 HHAA Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cccc(F)c2)n1C 2886602 PSAPHHIRFAGSNF-UHFFFAOYSA-N 400.479 3.881 0 50 HHAA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 4742249 OFZDBNJFOPNPTC-IBGZPJMESA-N 422.572 3.582 0 50 HHAA COc1ccc(CNC(=O)c2sc3ncnc(NC[C@@H]4CCCO4)c3c2C)cc1 11977236 WJYXYPBZOMKMLR-INIZCTEOSA-N 412.515 3.529 0 50 HHAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)C(=O)CCc1ccccc1 12004189 JKWJECJZNUUZCQ-OAQYLSRUSA-N 410.533 3.741 0 50 HHAA COc1ccc(F)c(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1 12457896 QKWDQONQIIRBHX-UHFFFAOYSA-N 400.498 3.997 0 50 HHAA Cc1cc(N2CCN(C(=O)c3cncc(Br)c3)CC2)nc2ccccc12 13629626 CXTPFRZKIVWBCR-UHFFFAOYSA-N 411.303 3.663 0 50 HHAA Cc1cnc(-n2ncc(C(=O)NCc3cccnc3)c2C2CC2)nc1-c1cccs1 14990166 DZDRKBQEPHYFLV-UHFFFAOYSA-N 416.510 3.902 0 50 HHAA CCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C(C)C 15001136 WQGKPWIWYBRFAZ-UHFFFAOYSA-N 412.563 3.586 0 50 HHAA OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc3nsnc3c2)CC1 15066344 IKUZLYAWIYIGGL-UHFFFAOYSA-N 406.511 3.916 0 50 HHAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20406366 YOMZQNGQEUTCJA-GOSISDBHSA-N 424.541 3.825 0 50 HHAA Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN5CCC[C@@H]5C4)cc3)sc2c1 22752751 PZSUYMXJTDFDJP-LJQANCHMSA-N 406.555 3.990 0 50 HHAA Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@H](c1cccc(Cl)c1)CC(=O)N2 65365909 SWBBWKQGLSXTKF-INIZCTEOSA-N 408.893 3.698 0 50 HHAA CC(=O)N[C@H]1CCN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C1 72432547 QTBASGPLWTXDLG-INIZCTEOSA-N 417.391 3.532 0 50 HHAA COc1ccc(C(=O)N2CCC(Cc3nc(-c4ccccc4)no3)CC2)c(OC)c1 169754860 VLRXFDUJXGHZHA-UHFFFAOYSA-N 407.470 3.849 0 50 HHAA Cc1ccc2c(COC(=O)[C@@H]3CC(=O)N([C@@H]4CCC[C@@H](C)[C@@H]4C)C3)cc(=O)oc2c1 229417127 RXAKGOIIRQKABJ-AXVVYFOYSA-N 411.498 3.818 0 50 HHAA C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229513093 GXWIXIRANLPCDP-JLTOFOAXSA-N 402.878 3.512 0 50 HHAA Cc1cccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 239338627 KVOJDABPDJXEKZ-CSCWZEDUSA-N 412.489 3.652 0 50 HHAA O=C1CC[C@H]2[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C1 242574899 NIRUKWHZKOUGIS-PGKMIFDNSA-N 405.450 3.690 0 50 HHAA C[C@H](NC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)c1ccccc1 263616031 GOPVGOHANDMJHR-KRWDZBQOSA-N 403.530 3.702 0 50 HHAA CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1 432640021 BXBGGQKUWBOQOB-UHFFFAOYSA-N 407.517 3.511 0 50 HHAA O=C1CN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c2cccc(F)c2N1 783519364 RUIMHHPAFBFTOY-FQEVSTJZSA-N 416.408 3.879 0 50 HHAA CC(C)c1nccc(CN2CCC(CNC(=O)c3cc4ccccc4cn3)CC2)n1 828215158 OYVDEXRMPVTDBD-UHFFFAOYSA-N 403.530 3.790 0 50 HHAA O=C(NC[C@H]1[C@H]2CN(Cc3cc4ccccc4o3)C[C@]23CC[C@H]1O3)c1ccsc1 1857734636 XTSAKKQIDJHOOA-KLJZETAQSA-N 408.523 3.904 0 50 HHAA O=C(NCCc1ccc(C(F)(F)F)cc1)N[C@@H](C(=O)N1CCCC1)c1ccccc1 1875253442 UPYCXBYKEWJELD-LJQANCHMSA-N 419.447 3.911 0 50 HHAA CCCCS[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)(F)F)CC1 1875333085 ZHUWLOGCNYSCDE-OAGGEKHMSA-N 402.551 3.936 0 50 HHAA CC(C)(C)n1cc(CN[C@@H]2CCN(Cc3ccccc3)c3ccccc32)c(O)nc1=O 2325824978 XWKSQDBGUWXUGJ-OAQYLSRUSA-N 418.541 3.945 0 50 HHAA Cc1cc(S(=O)(=O)NC(=O)N2CC[C@H](Cc3cccc(F)c3)C2)ccc1Cl 2325841219 JAFSELDPVWWPDU-OAHLLOKOSA-N 410.898 3.750 0 50 HHAA COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CO[C@@H](C(C)C)C4)cc1 1128323 HNASEONELFJYMJ-MRXNPFEDSA-N 410.499 3.509 0 50 HHAA CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2384759 FODJWPHPWBKDON-IBGZPJMESA-N 411.454 3.710 0 50 HHAA O=C(O)CNC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2583038 KDFMTQUDCOODFY-UHFFFAOYSA-N 416.433 3.862 0 50 HHAA COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O 4694705 IASBDBSQUYMHRN-LICLKQGHSA-N 401.415 3.614 0 50 HHAA O=C(COc1ccccc1)Nc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1 4954459 IZBVCBWBKOJQFM-UHFFFAOYSA-N 407.378 3.893 0 50 HHAA Cc1nc(CCNC(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)sc1C 11765021 QPFXUUFWMYYBSY-MRXNPFEDSA-N 405.951 3.511 0 50 HHAA CC[C@H]1CN(CCC(=O)NCCCOc2cccnc2)Cc2ccc(Cl)cc2O1 11786757 FACYANXFTBYNML-IBGZPJMESA-N 417.937 3.683 0 50 HHAA COc1ccc(N[C@H]2CCCN(C(=O)c3ccc(N4CCCC4=O)cc3)C2)cc1OC 11873022 OZQFKVWIKBTQCB-IBGZPJMESA-N 423.513 3.547 0 50 HHAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@@H]3CCCN(C(N)=O)C3)cc12 11879063 BYRDCQCQLXCUTM-QGZVFWFLSA-N 408.477 3.689 0 50 HHAA O=C1CC[C@H](C(=O)N2CCc3sccc3C2)CN1CCc1ccc(Cl)cc1 11932751 JIMGRPJITQAOPP-KRWDZBQOSA-N 402.947 3.768 0 50 HHAA CN(C(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 11999782 OETAEOSXABOKHQ-HSZRJFAPSA-N 400.526 3.576 0 50 HHAA COc1ccc2cc(CNCc3nccn3C)c(OCc3ccccc3F)nc2c1 12242532 BFOKVCHYZGDQTA-UHFFFAOYSA-N 406.461 3.985 0 50 HHAA CCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 14542644 HHAHBXFVNFLYOZ-UHFFFAOYSA-N 406.530 3.703 0 50 HHAA CN(C)C(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 22205107 SGOSWKHGNGVAIQ-RGEXLXHISA-N 405.410 3.714 0 50 HHAA CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C 55226539 IIWDWNYHEGFJHI-QFIPXVFZSA-N 407.514 3.573 0 50 HHAA aggregator CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OC 65364053 NMIJKENCZSUNSW-CYBMUJFWSA-N 413.865 3.506 0 50 HHAA CCn1cnnc1CN(C)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 67690416 BZBCLTIUMQIQIA-UHFFFAOYSA-N 400.895 3.600 0 50 HHAA Cc1ccc([C@@H]2Cn3nnc(-c4noc(COc5cccc(C)c5)n4)c3CO2)cc1 169769385 DXUPPHNBURYKEG-IBGZPJMESA-N 403.442 3.795 0 50 HHAA Cc1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(-c5ccccc5)no4)nn3)C2)cc1C 169781377 BDSSFXLEMUEIDG-IBGZPJMESA-N 414.469 3.699 0 50 HHAA Cc1nc(CCC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)oc1-c1ccccc1 170622432 FWACMVIZTFBNOO-FQEVSTJZSA-N 403.482 3.672 0 50 HHAA Cc1cc(C)nc(N2CCC(C(=O)N[C@@H](c3nc4ccccc4n3C)C(C)C)CC2)n1 223239292 DBBVWRWNNNTXGA-OAQYLSRUSA-N 420.561 3.710 0 50 HHAA COc1ccc(COC[C@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 247894644 OALJIVLWVZBTOD-IRLDBZIGSA-N 413.514 3.571 0 50 HHAA O=C(c1cnc2ccccc2c1O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 263585614 KRBMRKCWXILMNK-ZRGHVXQMSA-N 403.526 3.976 0 50 HHAA biogenic CN(C)c1ncc(/C=C/C(=O)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cn1 827603905 XUKDJLOLFKEFAT-LTDXDOBXSA-N 408.546 3.589 0 50 HHAA CCc1ccccc1OC1CN(Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1 952975303 TUMQKFMVOPZSPV-UHFFFAOYSA-N 407.602 3.876 0 50 HHAA COc1cc(-c2onc(NCCc3noc(C4CCCC4)n3)c2C(=O)O)ccc1F 1704304935 PDMJUJAPSUZABP-UHFFFAOYSA-N 416.409 3.883 0 50 HHAA CCOC(=O)CCC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21 1775998018 YHPSYINJHIJDFP-QHCPKHFHSA-N 404.470 3.804 0 50 HHAA Cc1ccc(CN2CCC3(CC2)CN(Cc2cccc(O)c2)C[C@@H]3C(=O)O)s1 1857683818 ZHCGFWZMHOLIMO-HXUWFJFHSA-N 400.544 3.561 0 50 HHAA O=C(NC[C@H]1[C@H]2CN(Cc3cc4ccccc4o3)C[C@]23CC[C@H]1O3)c1ccccc1 1857727403 QXQJVDNSATYBLB-KWLZBDKBSA-N 402.494 3.842 0 50 HHAA CC(C)c1ccc(CC(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)cc1 1857729769 GQYABRVBHCBURX-RQTOMXEWSA-N 404.510 3.654 0 50 HHAA CC(C)c1ccoc1C(=O)N1CCC[C@H](NC(=O)c2cnn3cccc(Cl)c23)C1 2325829077 ZSKFCIPHTHCMRD-AWEZNQCLSA-N 414.893 3.739 0 50 HHAA O=C(NC(=S)Nc1ccc(F)cc1)c1ccccc1I 724597 FVKVXHLNXLJOKL-UHFFFAOYSA-N 400.216 3.557 0 50 HHAA CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2OC)cc1Cl 1160180 STLXUPSEPVAZNK-UHFFFAOYSA-N 408.863 3.572 0 50 HHAA COCC(COC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12 1489783 MDWRPTOUDPFXKK-UHFFFAOYSA-N 410.305 3.788 0 50 HHAA in-vitro Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)s1 2869160 RBVKADLNCHZYTH-UHFFFAOYSA-N 424.511 3.531 0 50 HHAA CCCC[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 5707922 BUIZSEHOJHEYPY-SFHVURJKSA-N 413.857 3.921 0 50 HHAA COCCN(C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C)C(C)C 12030006 NZKKFAQPDQJFKA-UHFFFAOYSA-N 419.529 3.623 0 50 HHAA O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1 12303792 YIVDUBAKLDGSOM-HXUWFJFHSA-N 406.526 3.777 0 50 HHAA O=C([C@@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCC([C@@H](O)c2ccccc2)CC1 15001337 WMXYRKTXRKRZNF-VXKWHMMOSA-N 412.917 4.000 0 50 HHAA Cc1cc(C)n(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)n1 16283334 YQPXLOZKPCVEOP-UHFFFAOYSA-N 404.499 3.634 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cc(C)ccc3C)n2)ccc1C 16650632 RLBNEHAUBNMYDH-QGZVFWFLSA-N 418.497 3.994 0 50 HHAA COc1cc2c(cc1OC)CN([C@@H]1CCCN(Cc3cccc(C(C)=O)c3)C1)CC2 19745119 WTQQWFDYLVQIKA-HSZRJFAPSA-N 408.542 3.929 0 50 HHAA COc1cc(NC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)cc2=O)cc(OC)c1 169755651 DEBARHIGKFLKSO-UHFFFAOYSA-N 413.861 3.528 0 50 HHAA CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(Br)c(F)c1 170620533 UYLASEBOHVGJCN-CYBMUJFWSA-N 419.316 3.514 0 50 HHAA CN(CCC(=O)O)C(=O)c1cc2cc(Br)cc(Br)c2o1 428061940 TZYFMIGAXRUFTN-UHFFFAOYSA-N 405.042 3.505 0 50 HHAA CC(=O)Nc1ccc2nc(CN3CCN(Cc4ccc(F)c(F)c4)CC3)ccc2c1 820592951 GJWLVFYTTYUJJK-UHFFFAOYSA-N 410.468 3.789 0 50 HHAA O=C(c1cccnc1)N1CCC(N2CCCN(c3nc4ccccc4s3)CC2)CC1 952974256 BKJGFHNBUGWUTD-UHFFFAOYSA-N 421.570 3.508 0 50 HHAA O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1N1CCCC1=O 1318022517 VCDUBSMGMQKJIB-UHFFFAOYSA-N 412.917 3.945 0 50 HHAA O=C(CCc1cc(Cl)no1)NC[C@H](CN1Cc2ccccc2C1=O)c1ccccc1 1775972344 XOORYPFDOXXAIK-GOSISDBHSA-N 423.900 3.817 0 50 HHAA CCCC[C@@H]1CN(C(=O)c2ccc3nnc(-c4cccn4C)n3c2)C[C@H](C(C)C)O1 1857737796 CYOINSIZUIOSPE-UYAOXDASSA-N 409.534 3.791 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cc(Cl)n(C)n3)cc2)cc1 2325819926 VDLDUFWQDIGICD-UHFFFAOYSA-N 405.907 3.786 0 50 HHAA COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccc(C)cc3)C(=O)O)no2)c(Cl)c1 2325877345 PCSALQCSQSELDL-SFHVURJKSA-N 414.845 3.738 0 50 HHAA COc1cc([C@H]2Cc3c(C(=O)O)c(=O)cc(C)n3-c3ccccc3S2)ccc1O 755552 FWCNOZKILZANNI-HXUWFJFHSA-N 409.463 3.948 0 50 HHAA CCc1cccc(CC)c1NC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C 1113790 JNUSWRVJHRGWRY-UHFFFAOYSA-N 402.560 3.996 0 50 HHAA CCOc1ccc2nc(SCC(=O)Nc3ccc(O)c(C(=O)O)c3)sc2c1 2990837 KZJPVAQYDUDFIA-UHFFFAOYSA-N 404.469 3.830 0 50 HHAA Cc1cc(Br)ccc1OCCOCCn1cnc2ccccc2c1=O 3001908 OONYYBIZGNSCJB-UHFFFAOYSA-N 403.276 3.563 0 50 HHAA COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)no2)cc1 4176547 XSQTXXRWBRHYCM-NSHDSACASA-N 411.483 3.888 0 50 HHAA CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1 4614155 LMJKBIGGFULITG-INIZCTEOSA-N 407.333 3.939 0 50 HHAA COC(=O)c1ccc2c(=O)n(CCc3c[nH]c4ccc(OC)cc34)c(=S)[nH]c2c1 9108910 QWYCGRAYWUOUKP-UHFFFAOYSA-N 409.467 3.578 0 50 HHAA biogenic Cc1cccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@H]2c2ccco2)c1 9673775 PKRFCXVSJIJPKL-FQEVSTJZSA-N 423.494 3.951 0 50 HHAA O=C(CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)NC1CCOCC1 11881338 XRZVJWTVYWDKRD-VWLOTQADSA-N 406.526 3.620 0 50 HHAA CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CCn2ccnc2C)CC1 12317759 JAMJYNNOJRZOGY-UHFFFAOYSA-N 417.937 3.650 0 50 HHAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12385852 NZPNUYBCZNIJNN-NRFANRHFSA-N 408.546 3.650 0 50 HHAA Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc21 12428167 XKGDYLSTGYFORZ-ZDLGFXPLSA-N 409.442 3.992 0 50 HHAA O=C(c1cn(CCc2ccccc2)nn1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 12442000 LBGHTQIBYWEIMB-HXUWFJFHSA-N 404.449 3.514 0 50 HHAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)C2CCCC2)CC1)c1ccccc1 12709384 DUZQQVNLJGDLPB-NRFANRHFSA-N 410.518 3.563 0 50 HHAA COc1ccc(CNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 13615210 VFJNTYMSALFWAN-UHFFFAOYSA-N 424.522 3.591 0 50 HHAA Clc1cccc(N2CCN([C@@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)c1 20534143 YFPTWHYSRQMSGA-HXUWFJFHSA-N 411.937 3.663 0 50 HHAA CCOc1ccccc1-n1c(=S)[nH]c(=O)c2c(C(=O)OC)c(Cl)c(C)nc21 20604079 RIEYMFQWELUKJH-UHFFFAOYSA-N 405.863 3.590 0 50 HHAA CCOc1ccc(CN2CCN(Cc3cn(C)c4ccccc34)C[C@@H]2CCO)cc1 20869660 IDHJARVLFPJUGW-QFIPXVFZSA-N 407.558 3.646 0 50 HHAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)/C(F)=C/c3ccccc3)C2)CC1 55211116 JGGJMODYEXYZLH-UEBMVEOSSA-N 423.532 3.819 0 50 HHAA C[Si](C)(C)CCOCN1C(=O)C(Br)(Br)c2cccnc21 169984379 XMWMAADRRDTDHM-UHFFFAOYSA-N 422.193 3.683 0 50 HHAA Brc1cc2c(c(CN3CCC(c4nnc5ccccn45)CC3)c1)OCC2 462799032 VVVMRFFIVXDRHN-UHFFFAOYSA-N 413.319 3.806 0 50 HHAA Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc(I)c[nH]2)cc1 470270121 GGDDDLIBBUQNMA-GOEBONIOSA-N 410.255 3.578 0 50 HHAA Cc1cc(-c2cc(S(=O)(=O)N(Cc3ccncc3)CC(C)C)c(C)s2)n[nH]1 1506400998 YIRKYKDQXOXRPV-UHFFFAOYSA-N 404.561 3.997 0 50 HHAA COc1ccc(F)c(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)c1F 1565526847 AQUCOOWJQZWALO-WBVHZDCISA-N 404.432 3.849 0 50 HHAA CN(C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704297750 DOWBKJXAIOPTLR-VNHYZAJKSA-N 423.460 3.816 0 50 HHAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N(CCN(C)C)Cc2[nH]cnc2C)c1 1704307027 QRYOYQQOAOQDII-UHFFFAOYSA-N 400.567 3.898 0 50 HHAA CC(C)(N)c1nnc(NCC2(c3ccccc3)CCN(Cc3ccccc3)CC2)o1 1772703738 DOJTXCUIEDNWFF-UHFFFAOYSA-N 405.546 3.909 0 50 HHAA CCOC(OCC)c1nnc(S[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1C 2325860982 ATPVBDJOCXVMEB-AWEZNQCLSA-N 414.572 3.768 0 50 HHAA Cc1c(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)cnn1C 884631 GLOZPZJWWGAWLC-WBVHZDCISA-N 418.423 3.515 0 50 HHAA CC[C@@H](c1nc2ccccc2c(=O)n1-c1ccccn1)N1C(=O)c2ccccc2C1=O 1063870 VJJMWMKQSQUGDN-IBGZPJMESA-N 410.433 3.528 0 50 HHAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 1119398 IMDXWPOZNVMMDP-UHFFFAOYSA-N 412.511 3.934 0 50 HHAA Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1119536 URYWMVVCGXWYTF-UHFFFAOYSA-N 406.813 3.584 0 50 HHAA CCOC(=O)c1ccc(N2C(=O)[C@H]3CS[C@@H](c4cccs4)N3C2=S)cc1 1428621 YIPFYUIYAWXZNN-CJNGLKHVSA-N 404.538 3.673 0 50 HHAA COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 2843700 HEFROEQKLMKHHP-UHFFFAOYSA-N 404.271 3.898 0 50 HHAA FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ccc4c(c3)OCO4)CC2)c1 2856927 BKAYRGBZKMWQCK-UHFFFAOYSA-N 409.433 3.953 0 50 HHAA Nc1cccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)c1 2883448 SUZMQSIEAAXENN-XMMPIXPASA-N 420.896 3.972 0 50 HHAA Cc1cc(-n2nc3ccccc3n2)c2oc(SCC(=O)N3CCCCC3)nc2c1 4745201 JUEJFPRALVWKPY-UHFFFAOYSA-N 407.499 3.975 0 50 HHAA COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)cc1 6767409 IFWWDPHKAGLZFO-UHFFFAOYSA-N 403.482 3.745 0 50 HHAA Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 7388305 RPWNVWKGUMEUKQ-UHFFFAOYSA-N 409.530 3.707 0 50 HHAA Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn2)n1 11697195 IDFAJYXNSNTBIW-UHFFFAOYSA-N 408.893 3.539 0 50 HHAA CC(C)C[C@@]1(C2CCN(C(=O)C3CCC3)CC2)NC(=O)N(Cc2cccs2)C1=O 12038357 GRMBSPQZWQTQGD-QFIPXVFZSA-N 417.575 3.624 0 50 HHAA CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)CC1 12440814 WIRFMMBAMYKCSH-UHFFFAOYSA-N 423.435 3.847 0 50 HHAA Cc1cccc(-c2nc(Cn3c(=O)c4cccnc4n(-c4ccccc4)c3=O)c(C)o2)c1 12462874 RSZJJAPDXVSKBG-UHFFFAOYSA-N 424.460 3.868 0 50 HHAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(CCCSC)CC1)c1ccccc1 14970948 HBNROBDMIYBIGE-HXUWFJFHSA-N 402.564 3.599 0 50 HHAA Fc1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl 20364023 IZVWTJIIIRVVNN-UHFFFAOYSA-N 407.898 3.722 0 50 HHAA Cc1cc(N2CCN(c3ccccn3)CC2)n2nc(C)c(-c3ccc(F)cc3)c2n1 21798776 QBCLIGWRQGDPET-UHFFFAOYSA-N 402.477 3.874 0 50 HHAA Cc1cc(CNC(=O)C[C@@H]2CN(C)CCN2C)c2[nH]c(-c3ccccc3)c(C)c2c1 39412891 CBPVSJYQNQCXGJ-OAQYLSRUSA-N 404.558 3.704 0 50 HHAA Nc1nc(CN2CCN(c3ccccc3)CC2)nc(Nc2cccc3ccccc23)n1 54313815 AHMKFZVLXSZMKV-UHFFFAOYSA-N 411.513 3.673 0 50 HHAA CCCO[C@@H]1CCCN(Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)C1 55182568 GYLHHQNXFHSQAH-OAQYLSRUSA-N 420.557 3.998 0 50 HHAA Cc1cc(CNC(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)on1 77453854 OHSMTKLVCHFYEF-UHFFFAOYSA-N 408.502 3.945 0 50 HHAA O=C(CSCC1CC1)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 91985790 LWFRUCIFYBPPQB-UHFFFAOYSA-N 400.588 3.604 0 50 HHAA O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)cc(Cl)c1)N1CCCN1[C@H]2c1ccc(F)cc1 138561392 GZLMSOWNPLTRQW-OKZBNKHCSA-N 420.271 3.668 0 50 HHAA COc1cccc(-c2nsc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)n2)c1 170620987 YTSJUSYZKZGJJX-UHFFFAOYSA-N 423.903 3.523 0 50 HHAA Cc1nc(CCC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)oc1-c1ccccc1 170622430 FWACMVIZTFBNOO-HXUWFJFHSA-N 403.482 3.672 0 50 HHAA CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)c2cc(F)c(Cl)cc2F)c1 225855969 JJVUXGHXBREIMD-UHFFFAOYSA-N 422.236 3.983 0 50 HHAA COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN3CCC[C@H]3C2)c(F)c1 244626590 FONMVGHTTJLKOH-FQEVSTJZSA-N 406.505 3.967 0 50 HHAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 252516377 SGWBLBLPDDZRPY-XOPPTJLZSA-N 400.288 3.627 0 50 HHAA O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1)c1onc2c1CCCC2 426434877 QVJGZIWRZUTHNA-QHCPKHFHSA-N 417.509 3.919 0 50 HHAA CC1(C)CCc2ccccc2[C@@H](NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 442968673 SVQMJSUSPPCKQK-YADARESESA-N 405.498 3.575 0 50 HHAA COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)OCCO2 734807504 SLKROMNVIFZWRE-IBGZPJMESA-N 414.458 3.671 0 50 HHAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)N(Cc1ccncc1)C[C@H]1CCCO1 952982375 WPUSMNVXACSKPI-LJQANCHMSA-N 418.559 3.758 0 50 HHAA CN1CCC(Oc2ccc(NC(=O)Cc3cc4c(cc3Cl)OCCO4)cc2)CC1 952984292 ZMCCOOUUMPYGDF-UHFFFAOYSA-N 416.905 3.765 0 50 HHAA Cc1nsnc1C(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857698463 SMXCDXGFRRCILK-IBGZPJMESA-N 414.575 3.559 0 50 HHAA Cc1cc(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)nc(C)n1 1857702108 AEZXVBDUSPSTHS-QFIPXVFZSA-N 422.573 3.805 0 50 HHAA C[C@@H](NC(=O)CCC(=O)N[C@H](C)c1nc2ccccc2s1)C(=O)c1ccccc1 2325730807 DAQWXABNCPTICP-HUUCEWRRSA-N 409.511 3.641 0 50 HHAA CC1CN(Cc2nc3cccnc3[nH]2)c2ccccc2N(Cc2nc3cccnc3[nH]2)C1 2325744286 ITAPBVRIDWDLTC-UHFFFAOYSA-N 424.512 3.892 0 50 HHAA CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)cc2)c(C(=O)OC)c1C 994724 CVTCJQMSLNAEPG-UHFFFAOYSA-N 404.488 3.586 0 50 HHAA Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 1130034 VZNQGFYXGGMWAY-UHFFFAOYSA-N 408.523 3.697 0 50 HHAA CCc1ccc(OCc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1 2762931 HCNYPPYOFKXYDH-UHFFFAOYSA-N 410.495 3.728 0 50 HHAA O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 4679496 BGZKXLXTOYBVFH-KPKJPENVSA-N 403.570 3.756 0 50 HHAA Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nc3c(=O)[nH]cnc32)cc1 12462118 OUHWEALRGXTYNH-UHFFFAOYSA-N 423.473 3.596 0 50 HHAA biogenic,in-vitro Cc1cc(CN(C)Cc2cccc(OC[C@H](O)CN(C)C3CCCCC3)c2)on1 12702136 RCSXVQUYMROYNN-OAQYLSRUSA-N 401.551 3.619 0 50 HHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2csc(C)n2)C1 14953826 ZGFIMXBGAFEURV-NRFANRHFSA-N 402.516 3.706 0 50 HHAA Cc1ccccc1Cn1cc(C(=O)NCc2csc(Cc3ccccc3)n2)nn1 14963946 AVIUNDAPIXZXAG-UHFFFAOYSA-N 403.511 3.612 0 50 HHAA COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)CC(C)C)C3)n2)c(OC)c1OC 15066229 BFXUYORKMKJSSR-OAHLLOKOSA-N 417.506 3.590 0 50 HHAA Cc1cnc(NC(=O)CCNC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)s1 20740026 ZYPHWMCKRPVOHC-UHFFFAOYSA-N 417.922 3.683 0 50 HHAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 23541534 KROCVDCWVGJUDH-MRXNPFEDSA-N 417.600 3.797 0 50 HHAA CC(=O)c1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 55182706 DETJZQXMLAOUAZ-QHCPKHFHSA-N 405.542 3.624 0 50 HHAA CCNc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc(C)n1 67630197 DZFZERAXXXTYBF-UHFFFAOYSA-N 401.514 3.846 0 50 HHAA O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@H]1CC12CCNCC2 67847596 PNJIUJKDJLPRDK-QGZVFWFLSA-N 405.420 3.899 0 50 HHAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C3CCN(CCO)CC3)cc12 77320290 IKFPTTBRMRAKBV-UHFFFAOYSA-N 409.505 3.603 0 50 HHAA CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 245310689 JTOIVJRANRGGDG-PXVQWCDCSA-N 414.505 3.606 0 50 HHAA O=C(Nc1ccc2ncnc(O)c2c1)c1cc(-c2ccc(Br)s2)n[nH]1 253623906 SJSBYPBJIFLZJR-UHFFFAOYSA-N 416.260 3.802 0 50 HHAA COc1ccc2cc(C(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)c(C)nc2c1 474832290 LXHAUQMRNKXPAK-UHFFFAOYSA-N 408.473 3.901 0 50 HHAA Cc1ccc([C@H](CNc2cncc(C(=O)N3CCCC3)n2)N2CCC(C)CC2)cc1 1704297332 MYVQNVFPLFZQEB-QFIPXVFZSA-N 407.562 3.906 0 50 HHAA CC[C@]12COC(=O)N1CCN(C(=O)c1cc(-c3ccccc3)nn1-c1ccccc1)C2 1857688296 BANNFICPFFAHAU-DEOSSOPVSA-N 416.481 3.596 0 50 HHAA O=C1C[C@H]2N(Cc3ccc4ccn(Cc5ccccc5)c4c3)CC[C@]23OCCCN13 1857731634 NCVXCOPEWKASEQ-NOZRDPDXSA-N 401.510 3.613 0 50 HHAA Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)sc2N2CCOCC2)cc1 1857800212 FJGGILHKPZKKNN-UHFFFAOYSA-N 400.525 3.788 0 50 HHAA CC[C@@H]1CN(C(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)C[C@]2(CCCOC2)O1 1875262354 XZJKOKNLJSQLGM-QRWLVFNGSA-N 423.435 3.691 0 50 HHAA COc1ccc(NC(=O)c2cc(O)nc3c2CCCN3)c(OCc2ccccc2)c1 2325862086 IQHFIUPPAPLHMV-UHFFFAOYSA-N 405.454 3.985 0 50 HHAA CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1 824213 CHNDDZNLOSEDLZ-UHFFFAOYSA-N 408.523 3.682 0 50 HHAA Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 884703 LJOYNDBBBDAMAC-DOTOQJQBSA-N 418.423 3.515 0 50 HHAA O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1cccnc1 887118 VQQMSYKKQJQPNE-UHFFFAOYSA-N 401.875 3.569 0 50 HHAA Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1nn(C)cc1Cl 1071443 OLGFSFANRKOHBP-UHFFFAOYSA-N 422.714 3.950 0 50 HHAA Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C 1126866 VVTVNSMQGKNOPF-GOSISDBHSA-N 416.543 3.884 0 50 HHAA O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NC1CCCC1 1162186 CGRHRONGWAULKM-UHFFFAOYSA-N 406.935 3.590 0 50 HHAA COc1cc(OC)c2c(C)c(CC(=O)NCc3ccc(Cl)cc3)c(=O)oc2c1 4540663 MGPAXXLHRDYZKK-UHFFFAOYSA-N 401.846 3.631 0 50 HHAA COc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1OC1CCN(C(C)=O)CC1 12206041 HGSSSKHGSWTSKS-NRFANRHFSA-N 408.498 3.502 0 50 HHAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 12297311 HSPHTQBRPFYQSK-VWLOTQADSA-N 417.509 3.901 0 50 HHAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)C3CCN(C(=O)N(C)C)CC3)C2)cc1 12308993 JYRKKOANGDFNCD-NRFANRHFSA-N 400.567 3.607 0 50 HHAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCCCC3)cc2)CC1 12746982 ILNZJEDMHVKEMG-UHFFFAOYSA-N 402.535 3.546 0 50 HHAA COc1cc(C[C@]2(CCC(=O)N[C@@H](C)c3cccs3)CCC(=O)N2)ccc1F 14886248 CMTHFPQHVFWXNO-QKKBWIMNSA-N 404.507 3.745 0 50 HHAA O=C(c1cccnc1)N1CCC(Oc2ccc(C(=O)N3C[C@@H]4CCC[C@H]3C4)cc2)CC1 14958530 IMFLGAOPBDVRLJ-NQIIRXRSSA-N 419.525 3.780 0 50 HHAA O=C(NCc1ccccn1)c1ccc(OC2CCN(C3CCSCC3)CC2)cc1 15073082 QXAUATWXMRUKRU-UHFFFAOYSA-N 411.571 3.750 0 50 HHAA CCc1c(C)sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)c1C(=O)NC1CC1 17082928 IPGQQYQCIHVJOH-HZPDHXFCSA-N 404.532 3.897 0 50 HHAA CCn1nccc1[C@@H](C)NC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 20602531 OWCRHFVVDPDYDJ-LLVKDONJSA-N 420.439 3.730 0 50 HHAA COc1ccc(Cn2ccc3c(cnc4c(-c5ccccc5)cnn43)c2=O)cc1OC 40387674 GLWSHLWDPWILSC-UHFFFAOYSA-N 412.449 3.777 0 50 HHAA COC(=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 49767861 DLYVTEULDNMQAR-SRNOMOOLSA-N 422.606 3.537 0 50 HHAA biogenic,in-vitro CCN(Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)C[C@H]1CCCO1 55211125 LXTXMQQYLKSVSE-OAQYLSRUSA-N 423.623 3.648 0 50 HHAA Cc1ccc(N2C(=O)C[C@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1Cl 96279699 YUAQEIFALPIACG-PABBZOGXSA-N 423.944 3.611 0 50 HHAA C[C@@H](Oc1ccccc1)C(=O)NCc1nnc2ccc(-c3ccc(Cl)cc3)nn12 169778491 NYHSIUMCWGOTQL-CQSZACIVSA-N 407.861 3.528 0 50 HHAA CN1CCCN(c2ccc(NC(=O)N[C@H]3CCc4cc(F)ccc43)cc2F)CC1 239352693 ADBORCLBYCLPMF-FQEVSTJZSA-N 400.473 3.916 0 50 HHAA Cc1cccc([C@@H]2CCCN2C(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)c1C 253417376 RUOHROXEBSFLDS-ICSRJNTNSA-N 402.535 3.993 0 50 HHAA Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(O)c2)c2ccccc21 263586724 XEIZGCFBTZRYEA-IBGZPJMESA-N 409.486 3.958 0 50 HHAA biogenic O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1ccccc1C(F)(F)F 263615229 BHHXGLNGHSKICK-UHFFFAOYSA-N 417.362 3.862 0 50 HHAA O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 426580420 QTHXQYCPBXLXQL-BHDDXSALSA-N 413.525 3.947 0 50 HHAA CCc1ncc(CN(CC(=O)O)C(=O)c2csc(CCc3ccccc3)n2)s1 1875258108 BPZHWNLXDNYCGV-UHFFFAOYSA-N 415.540 3.674 0 50 HHAA CCC(=O)N[C@@H](C(=O)N1CC(Cc2ccccc2C(F)(F)F)C1)c1ccccc1 1875264961 JXFVYFQWVLGYOB-HXUWFJFHSA-N 404.432 3.974 0 50 HHAA O=S(=O)(Cc1cc(Cc2ccccc2)on1)Cc1cc(Cc2ccccc2)on1 2325816703 ZNRDPWSHNHTCOE-UHFFFAOYSA-N 408.479 3.959 0 50 HHAA CN1C(=O)CCCc2occ(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c21 2325822808 PZXIODAXMWVLMX-UHFFFAOYSA-N 402.878 3.916 0 50 HHAA O=C(NC(=S)Nc1ccc(F)cc1)c1cccc(I)c1 724585 SFZSHRJXKHWOBG-UHFFFAOYSA-N 400.216 3.557 0 50 HHAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)c1OC 844112 SABSWWQMCOVDBD-KRWDZBQOSA-N 401.850 3.624 0 50 HHAA Cc1ccc(OCC(=O)NC(=S)Nc2cccc(NC(=O)c3ccco3)c2)cc1 1172790 ZXLAMJJLGKGYLX-UHFFFAOYSA-N 409.467 3.732 0 50 HHAA CCc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(CO)c2ccccc21 1195454 VKOUJLZCQHFUKH-PGAZUGQPSA-N 409.485 3.792 0 50 HHAA O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)NC1CC1 2871421 DSKAZSDQNLNERB-UHFFFAOYSA-N 422.506 3.953 0 50 HHAA Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)ccc2Cl)c1 4869089 KJNPWHBFVAFABW-GJZGRUSLSA-N 422.934 3.699 0 50 HHAA Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)cn1 11699407 MZDBLQCLEDMWBQ-UHFFFAOYSA-N 421.526 3.708 0 50 HHAA CC[C@@H](C)CNC1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 11783485 BHJGQJKOPPBAOG-GOSISDBHSA-N 423.557 3.950 0 50 HHAA COc1ccc(CNCc2ccc(Cl)s2)c(OC[C@@H](O)CN2CCCC2)c1 12027885 HAPBVQXNBMUOIG-INIZCTEOSA-N 410.967 3.535 0 50 HHAA O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCOc2ccc(Cl)cc2C1 12192978 KNXTWWFOLUETEZ-UHFFFAOYSA-N 403.269 3.668 0 50 HHAA CSc1ccc(CN2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 12244352 LAPNXSBFDOUNRS-XMMPIXPASA-N 423.582 3.832 0 50 HHAA CN(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 12332544 IKIKLHCVDXAMCT-JOCHJYFZSA-N 416.525 3.778 0 50 HHAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2cc3ncccn3n2)C1 15064413 XGPBHENZNLOVAH-DEOSSOPVSA-N 420.513 3.538 0 50 HHAA Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC[C@@H]4CCCO4)cc3N2)cc1 18210444 KBDSXPOYXRGAKL-ZOBUZTSGSA-N 408.424 3.761 0 50 HHAA COc1ccc(C(=O)N[C@@H](NCc2ccccc2)C(Cl)(Cl)Cl)cc1OC 19792344 BLJDTJAITLSMEC-QGZVFWFLSA-N 417.720 3.920 0 50 HHAA Clc1ccc(CN[C@H]2CCN(c3ncc(Br)cn3)C2)c(Cl)c1 35999346 PXQNLQLMRMROSB-ZDUSSCGKSA-N 402.123 3.914 0 50 HHAA in-vitro COc1ccc(CCN2CCC[C@H](CN(C)C(=O)c3cc(Cl)cn3C)C2)cc1 95497632 NAEAKXXMQKOGGR-GOSISDBHSA-N 403.954 3.714 0 50 HHAA O=C(COc1ccccc1)N1CCCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 169764816 FERNFQYPWXOFHT-UHFFFAOYSA-N 410.905 3.848 0 50 HHAA Cc1ccc([C@@H]2Cn3nnc(-c4noc(-c5cccc(N(C)C)c5)n4)c3CO2)cc1 169781133 BKFOPNJIFNRORJ-IBGZPJMESA-N 402.458 3.641 0 50 HHAA N[C@H](CCC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 170677474 VOUDSWOCIYOBSB-OAQYLSRUSA-N 423.538 3.584 0 50 HHAA CCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(c3ccccc3)c3ccccc3)C[C@@]23C=C[C@H]1O3 226888436 QPNGJIVJKYBPSE-SRCYTUNASA-N 417.505 3.901 0 50 HHAA CC[C@H](C)[C@H](C(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12)N1Cc2ccccc2C1=O 257198522 BGJGYRYEEYYBGW-NEKRIBJYSA-N 411.590 3.780 0 50 HHAA biogenic Cn1c([C@@H](Cc2ccccc2)NC(=O)C[C@@H]2NC(=O)c3ccccc32)nc2ccccc21 334160727 LDSYTBVBYZUWEM-FCHUYYIVSA-N 424.504 3.848 0 50 HHAA Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 670434987 BFPZSWSHJCFPSC-QHCPKHFHSA-N 416.525 3.601 0 50 HHAA O=S(=O)(c1ccc(-c2ccno2)o1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 952964011 MHNCZEDZHJYAOB-UHFFFAOYSA-N 416.434 3.518 0 50 HHAA Cc1ccc2cc(CN3CCO[C@H](c4ccccc4)C3)c(N3CCOCC3)nc2c1 952965959 DNWOBQRAXBXCEL-DEOSSOPVSA-N 403.526 3.953 0 50 HHAA O=C(c1ccc(CSc2ccccn2)cc1)N1CCOc2ccc(CO)cc2C1 952977764 YNCLQIGYKMRPNG-UHFFFAOYSA-N 406.507 3.901 0 50 HHAA Cc1ccc(NC(C)C)c(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)c1 1857735163 KRDQVUAFRSXSCS-FBLLAGFSSA-N 419.525 3.730 0 50 HHAA Cn1nncc1-c1cs/c(=N\c2ccccc2)n1[C@H]1CCN(C(=O)C2CCCC2)C1 1875255834 IOLQIURRKXUOQY-LWVPEANGSA-N 422.558 3.541 0 50 HHAA C[C@@](N)(C(=O)N[C@H]1CCCN(c2ccccc2F)C1)c1ccc(C(F)(F)F)cc1 2325828586 LSHAIFGGUMYFGZ-JXFKEZNVSA-N 409.427 3.804 0 50 HHAA Cc1cc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c2cccc(C)c2n1 2356147480 YDRNULAESLOKET-VWLOTQADSA-N 415.541 3.828 0 50 HHAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2Br)cc1 845629 NEQKDMLPQLYNAX-KRWDZBQOSA-N 416.275 3.724 0 50 HHAA COc1ccc(Cl)cc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 935940 LJKFBDKNARMOLV-LLVKDONJSA-N 417.918 3.884 0 50 HHAA Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(C)c1 2852323 LGGGOUNUWRKCNW-UHFFFAOYSA-N 416.543 3.742 0 50 HHAA O=C(N[C@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O)c1ccc(Cl)cc1Cl 2869313 YMXDQSZFWZWVAB-MRXNPFEDSA-N 416.186 3.558 0 50 HHAA COc1cc(CNc2nc(C)c(-c3ccn([C@@H]4CCOC4)n3)s2)cc2c1OCO2 11815008 RDKWQJIXWIFOMM-CQSZACIVSA-N 414.487 3.626 0 50 HHAA CN(C[C@@H]1CCCCO1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11818059 ABCRPPHVKGQIKF-DEOSSOPVSA-N 423.557 3.766 0 50 HHAA COc1ccc(C(=O)NC[C@@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)c(OC)c1 11872234 DHCACFWKUKVGQU-IBGZPJMESA-N 419.481 3.511 0 50 HHAA FC(F)(F)c1ccc(N2CCC[C@H](NC3CCN(Cc4ccccn4)CC3)C2)nc1 11872952 VYUOFMDVSFBEJO-FQEVSTJZSA-N 419.495 3.718 0 50 HHAA COc1ccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3OC)C2)cc1F 11879612 MDQHNCAPICFHBF-GOSISDBHSA-N 414.521 3.870 0 50 HHAA Cc1cc(C)n(CC(=O)NC[C@H]2Cc3cc(F)cc(-c4ccc(F)c(C)c4)c3O2)n1 12005204 NLLVDOPSFHGLCS-LJQANCHMSA-N 411.452 3.873 0 50 HHAA CC1CCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1 12281144 LGJRNAKPYASULS-RUZDIDTESA-N 404.510 3.629 0 50 HHAA CCOC(=O)C1CCN(C(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)CC1 12597607 PXAYNZAOEPPISM-UHFFFAOYSA-N 412.486 3.548 0 50 HHAA COc1ccc(CNC(C2CC2)C2CC2)cc1OC[C@@H](O)CN1CCCCCCC1 12718000 HYJBSLAYBTZDSI-QFIPXVFZSA-N 416.606 3.979 0 50 HHAA COc1cc(Cl)ccc1OCc1cc(C(=O)N(C)CCc2c(C)n[nH]c2C)no1 12761908 HIPDCNBENUFCPF-UHFFFAOYSA-N 418.881 3.570 0 50 HHAA COc1ccc(OC)c([C@@H]2CCN(C(=O)CCc3nnc(-c4ccsc4)o3)C2)c1 19145450 QRNNNCYJMHHBQD-CQSZACIVSA-N 413.499 3.764 0 50 HHAA CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@H]2CCCCN2C)C3)c1 39353430 LWHZBPGVISUMPF-AUSIDOKSSA-N 424.516 3.908 0 50 HHAA CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(NC(=O)C2CCC2)cc1 55199109 YRKRHPPRSQTLGT-UHFFFAOYSA-N 402.498 3.942 0 50 HHAA Cc1nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc(-n2cccn2)n1 65364212 FAEBOSXHTMOBFL-UHFFFAOYSA-N 424.508 3.600 0 50 HHAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CC(=O)N(C1CCCCC1)C1CCCCC1 100609083 HVKBCQRKIKYMBQ-MOPGFXCFSA-N 406.954 3.998 0 50 HHAA CCOc1cc2c(cc1CN1CCC[C@@]3(CCc4cnc(N(C)C)nc43)C1)CCC2 1704303703 BAEFPQWRNBNNAJ-RUZDIDTESA-N 406.574 3.910 0 50 HHAA COc1cc(C)ccc1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cc(C(C)C)[nH]n1 1875324900 NNKZMNPBIFQKAB-SJORKVTESA-N 412.534 3.521 0 50 HHAA COc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1Cl 1060440 RGHNALYLQZFGQU-AWEZNQCLSA-N 410.923 3.759 0 50 HHAA O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 1167117 HMOWZSHOZJIGIZ-UHFFFAOYSA-N 422.915 3.942 0 50 HHAA CC(=O)c1c(N2CCN(c3ccccn3)CC2)nc(=S)n(-c2ccccc2)c1C 1440762 ZFGQVYASTUFKOI-UHFFFAOYSA-N 405.527 3.834 0 50 HHAA CCCCc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 2853548 VTLBLFZXELAPRO-MRXNPFEDSA-N 404.532 3.831 0 50 HHAA Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F 4708078 AGYKTANDHHMBRN-GFCCVEGCSA-N 412.371 3.679 0 50 HHAA Cc1nc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)sc1C 4814876 MOLKUYCINHIPGA-GFCCVEGCSA-N 403.533 3.759 0 50 HHAA COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc4ccccc4c3)n2)c1 4838403 XDKKZDNSKFGSLV-UHFFFAOYSA-N 409.467 3.719 0 50 HHAA CN1CCN(c2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)CC1 5047549 JRCDRZBTYIOGJB-UHFFFAOYSA-N 417.918 3.580 0 50 HHAA CCn1cc(CNC(=S)Nc2sc(-c3ccccc3)cc2C(=O)OC)cn1 6605476 RXVNROOWINSCKA-UHFFFAOYSA-N 400.529 3.905 0 50 HHAA Cc1nn(C)cc1CNc1nc(C)c(-c2ccn(-c3ccc4c(c3)OCO4)n2)s1 12129283 QKRFHHKODAYUNE-UHFFFAOYSA-N 408.487 3.687 0 50 HHAA CC1CCN(C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC1 12193707 LZCURRLWEIXJHC-OAQYLSRUSA-N 422.447 3.513 0 50 HHAA Cc1ncoc1C(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 12199099 AZNLTJGDYMESHK-SFHVURJKSA-N 403.482 3.932 0 50 HHAA CCn1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)c2ccc(C)nc21 12390671 PEQMLUIUGOKXOJ-UHFFFAOYSA-N 408.889 3.832 0 50 HHAA O=C(C1CCN(C2CCN(Cc3ccc(F)cc3Cl)CC2)CC1)N1CCCC1 12469797 DYXXNSANCZQOMC-UHFFFAOYSA-N 407.961 3.778 0 50 HHAA CN1CCC(N2CCN(Cc3ccc(-c4cccc(Cl)c4)o3)C[C@@H]2CCO)CC1 19740641 IQZPLNCCQZCVQM-NRFANRHFSA-N 417.981 3.563 0 50 HHAA OCC[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)CCN1CCCc1ccccc1 23373892 AXEXRAZVQLVEKS-HSZRJFAPSA-N 422.548 3.513 0 50 HHAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H]2c2ccccn2)n1CCc1ccccc1 55154470 XTVYCYVYBQCFKD-JOCHJYFZSA-N 424.570 3.652 0 50 HHAA O=C(c1ccc(=O)[nH]c1)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67588931 URCKECIBUOKYBK-UHFFFAOYSA-N 418.474 3.997 0 50 HHAA O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1CSCN1[C@@H]2/C=C/c1ccccc1 109496865 UNKLTRXXWKZTPX-UZDYOHJUSA-N 410.926 3.916 0 50 HHAA Cc1cc(C)nc(N2CCC(C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)CC2)n1 223238499 SDWMHVRHVCXMBV-HXUWFJFHSA-N 406.534 3.700 0 50 HHAA COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)cc1 239306157 GMQIQKZJRYRUKH-PCPGVINSSA-N 414.461 3.505 0 50 HHAA Cc1ccc(C(=O)COc2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 239403113 RNDYWWHMPXGAFG-BSZKWMGISA-N 413.473 3.814 0 50 HHAA O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N1CCN(C(=O)c2ccco2)CC1 253410489 NKMKFDYEJHWUHY-LJQANCHMSA-N 411.889 3.699 0 50 HHAA O=c1cc(CN2CCO[C@H](c3ccccc3Br)C2)c2ccc(O)cc2o1 725806155 KDKCBMHNHCOXKD-IBGZPJMESA-N 416.271 3.835 0 50 HHAA CN1CCN(c2ccc(C(=O)N3CCCC[C@H]3CCc3cccc(O)c3)cc2)CC1 952873495 ZOSQHXBTPODGAM-QHCPKHFHSA-N 407.558 3.772 0 50 HHAA CCOC(=O)[C@]1(C(=O)O)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1772716036 JPIZDNGCUJFBFP-XMMPIXPASA-N 423.465 3.665 0 50 HHAA Cc1ccccc1-n1nc(SCC(=O)N2CCOc3ccncc32)sc1=S 1875263550 AIJDVMVRCRWAKC-UHFFFAOYSA-N 416.553 3.884 0 50 HHAA Cc1cc([C@H](NC(=O)c2nc(N3CCOCC3)ncc2Cl)C(C)C)c(C)s1 2325726481 QBPBIUDPQAIDFM-MRXNPFEDSA-N 408.955 3.772 0 50 HHAA COc1cccc2c1C1(CCN(C(=O)c3cnn(Cc4ccccc4)c3)CC1)OCC2 2356157356 HEDBVLOVPNEQOL-UHFFFAOYSA-N 417.509 3.644 0 50 HHAA COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 1163045 DKUDPTJEMOIXSD-UHFFFAOYSA-N 420.506 3.796 0 50 HHAA O=C(c1ccncc1)N(Cc1ccc(OCCN2CCCCC2)cc1)C[C@@H]1CCCO1 11999434 PSKFUFKYVUZKLM-DEOSSOPVSA-N 423.557 3.768 0 50 HHAA CSCCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12073160 TUULIMNMALDMND-HSZRJFAPSA-N 416.631 3.627 0 50 HHAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2cc(C)nc(C)n2)C1 12298793 DRUXTYCJYGWJPG-DEOSSOPVSA-N 409.530 3.902 0 50 HHAA COC(=O)CCC(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 12338228 PIJZNXABGXABPX-AWEZNQCLSA-N 407.388 3.745 0 50 HHAA Cc1ncc(CN2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 12435045 OKPPWGGAVDFNJZ-IBGZPJMESA-N 403.486 3.823 0 50 HHAA COc1ccc(CNCCc2ccc(Cl)cc2)cc1OC[C@@H](O)CN1CCCC1 12761944 OCCAYSAOZMWHRI-NRFANRHFSA-N 418.965 3.516 0 50 HHAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C/C=C/c3ccccc3OC)C2)c1 14953532 YRHMMHDZALZIJI-QPGLYAHGSA-N 424.541 3.868 0 50 HHAA Cc1ccc(-c2noc(CNC(=O)C3CCN(Cc4cccc(C)c4)CC3)n2)cc1 67622126 NTWDZXLWHSOSRB-UHFFFAOYSA-N 404.514 3.882 0 50 HHAA O=S(=O)(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1c(Cl)cccc1Cl 170609128 GEXVDDZDEGWLJJ-UHFFFAOYSA-N 414.226 3.573 0 50 HHAA C[C@]12CCC(=O)N1c1ccc(Br)cc1-c1nc(=O)c(-c3ccccc3)nn12 170620174 VPJBIBYBDNVRTK-FQEVSTJZSA-N 423.270 3.548 0 50 HHAA C[C@H](OC(=O)c1cc(=O)c2cc(Cl)ccc2o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229590141 PLOUSOOVTSNWOG-LMOYCYGVSA-N 405.878 3.933 0 50 HHAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1c(Cl)ccnc1Cl 241701734 QKUQTNKAZVPGTJ-CJNGLKHVSA-N 412.342 3.693 0 50 HHAA COc1ccc([C@@H](CC(=O)Nc2cccc(OC)c2)c2c(O)cc(C)oc2=O)cc1 253470792 DSFDLACOASROGJ-LJQANCHMSA-N 409.438 3.832 0 50 HHAA O=C1C[C@@H](C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)c2cc(F)ccc2N1 670459574 IARNGTDWUVLZKT-CQSZACIVSA-N 400.841 3.530 0 50 HHAA COc1cccc(-c2ccc(C(=O)N3CCc4nc[nH]c4[C@H]3c3cccnc3)o2)c1 952988541 JMHXZYNJXMYOGM-JOCHJYFZSA-N 400.438 3.861 0 50 HHAA COc1cc(-c2[nH]c(-c3ccc(O)cc3)nc2-c2oc(C)cc(=O)c2O)ccc1O 1857526527 KTFZVTJEAGZJCW-UHFFFAOYSA-N 406.394 3.798 0 50 HHAA CN(c1ccnc(N2CCC(C)(C)C2)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1875330674 XQKMSMYMVCUUGU-KRWDZBQOSA-N 403.571 3.939 0 50 HHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3nc(-c4ccc(F)cc4)[nH]c3C)C1)CC2 2356159488 CVRFUIDYBOUDAL-HSZRJFAPSA-N 405.477 3.743 0 50 HHAA CSCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1nc(-c2ccccc2)cs1 2382215007 MVXCBDXYQGDDNA-INIZCTEOSA-N 412.540 3.695 0 50 HHAA O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(F)c3)c2)c1 844930 KTGGLLIBJAEZJG-UHFFFAOYSA-N 414.414 3.577 0 50 HHAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 861085 BDDJLFJKCZNKKW-TZIWHRDSSA-N 408.454 3.829 0 50 HHAA biogenic C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC[C@H]1CCCO1 901036 CRDIITAEENWPCU-GXTWGEPZSA-N 411.449 3.938 0 50 HHAA Cc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1051957 HLEKJANMHSSILM-UHFFFAOYSA-N 406.935 3.903 0 50 HHAA CCN(CC)C(=S)SCCC(=O)NC(=O)Nc1ccc(Br)cc1 2983324 FLXBSYCDTWZZLL-UHFFFAOYSA-N 418.382 3.847 0 50 HHAA COc1ccc(NC(=S)N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 3130671 DNPSCWWNVBZSJL-ZDUSSCGKSA-N 412.770 3.840 0 50 HHAA CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 4951837 WXMCSYGIEMTDMJ-ZCOIRKDISA-N 407.469 3.822 0 50 HHAA Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)cc2)c1 5049702 LMMYRXURCHDBOR-XTSANDPQSA-N 404.466 3.692 0 50 HHAA Cc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)[C@@H]1CCCO1 11786573 JJHOIOSVCBIWAE-NRFANRHFSA-N 419.481 3.626 0 50 HHAA CC(=O)c1cccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1 11905587 LDIRYGNCCKKEDB-UHFFFAOYSA-N 407.495 3.603 0 50 HHAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2cc(C)on2)C1 11950754 CYTLYGAVIYUCID-CQSZACIVSA-N 405.882 3.916 0 50 HHAA CO[C@H](C(=O)NC[C@@H]1CCC2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1 11998362 XHUGRGRARYVJTQ-GOTSBHOMSA-N 408.542 3.704 0 50 HHAA Cc1cccc(N2CCN([C@H]3CCC(=O)N(Cc4ccccc4Cl)CC3)CC2)n1 12050790 YPILWXQKKXTHTP-FQEVSTJZSA-N 412.965 3.747 0 50 HHAA Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)s1 12193320 MPIFODAVNAFILW-OAHLLOKOSA-N 409.483 3.876 0 50 HHAA O=C(NCCCN1CCOCC1)c1sc2cc(Br)ccc2c1Cl 20472639 ZKDHPMYHSXIDJT-UHFFFAOYSA-N 417.756 3.769 0 50 HHAA C[C@@H](C(=O)Nc1ccc(F)c(F)c1)n1ccc(C(=O)Nc2ccc(F)c(F)c2)n1 20616994 BPYDRBJKSMWELD-JTQLQIEISA-N 406.339 3.892 0 50 HHAA Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)nc(N2CCCC2)n1 64800079 CLARHUBRCHASAQ-UHFFFAOYSA-N 414.941 3.701 0 50 HHAA CCCN(CC1CC1)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1ccsc1)C2 77424909 KBEGDQJVVAOXDJ-UHFFFAOYSA-N 418.584 3.757 0 50 HHAA C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc(COCC(F)(F)F)cc1 170612375 JVDQDFNBFAMYFK-KBPBESRZSA-N 418.456 3.931 0 50 HHAA CNS(=O)(=O)c1cc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)c(C)o1 433055750 BTDJMOJLWMBANP-SECBINFHSA-N 417.314 3.562 0 50 HHAA Cc1nc(-c2ccc(C(=O)Nc3cccc(C(=O)N4CCC[C@@H](O)C4)c3)cc2)cs1 442882315 LDMLGMKRCXJGMS-HXUWFJFHSA-N 421.522 3.968 0 50 HHAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1506427565 KXDKOYPQDYGCLG-OAHLLOKOSA-N 410.424 3.665 0 50 HHAA CO[C@H]1CCn2cc(C(=O)OCc3csc(Cc4ccc(Cl)cc4)n3)nc2C1 2325825297 LMGYAZUFAAVOGQ-INIZCTEOSA-N 417.918 3.902 0 50 HHAA CCc1cccc(CC)c1N(COC)C(=O)Cn1cnc2ccc(Cl)cc2c1=O 626838 AIQMXEXCTMMDSC-UHFFFAOYSA-N 413.905 3.812 0 50 HHAA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1063174 NGSQDQQENBUCFQ-OAHLLOKOSA-N 414.458 3.924 0 50 HHAA O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl 1122225 GOPUBXWEFCJXGK-UHFFFAOYSA-N 415.836 3.835 0 50 HHAA CNC(=O)CSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 1140843 FZVAITNKENDAAW-UHFFFAOYSA-N 404.495 3.838 0 50 HHAA CN(CCC1CCOCC1)Cc1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 11934540 LTWNDJXSVFBICG-DEOSSOPVSA-N 418.622 3.939 0 50 HHAA Cc1ccccc1CC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCCc1ccccc1 11973874 WENGYLYZRZYNNX-HSZRJFAPSA-N 404.554 3.915 0 50 HHAA O=C(CCc1[nH]nc2c1CCCC2)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 12317242 GCLQEYLVXUWEGL-SFHVURJKSA-N 400.954 3.655 0 50 HHAA O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cn(C/C=C/c2ccccc2)nn1 12705371 DNSCXIHZBJSGPH-XOJVXBCLSA-N 415.541 3.949 0 50 HHAA CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 12713529 RGSHHXBHDHEQRH-JOCHJYFZSA-N 405.489 3.762 0 50 HHAA CC(=O)NCCc1nc2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc2n1C 13483463 JLEWRXNLXSUDSZ-UHFFFAOYSA-N 422.529 3.701 0 50 HHAA COc1ccc(NC(=S)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(OC)c1 17090403 LQBIEYKCNISWHQ-UHFFFAOYSA-N 415.603 3.987 0 50 HHAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 59759678 LHVLYOGSTAYEOH-UHFFFAOYSA-N 413.905 3.903 0 50 HHAA O=C1CCC2(CCN(C3CSCCSC3)CC2)CN1CCc1ccccc1 95383665 HEYNRVLAXTZNBU-UHFFFAOYSA-N 404.645 3.782 0 50 HHAA Nc1nc(SCCCC(=O)O)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1 149885892 IFJXIADRKWHCEN-UHFFFAOYSA-N 416.890 3.915 0 50 HHAA COc1cc(-c2nc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)no2)cc(OC)c1OC 169755348 PZRLVSCYSCZLIP-OAHLLOKOSA-N 409.442 3.591 0 50 HHAA O=C(Cc1ccc(Cl)cc1)NCc1nnc2ccc(-c3ccc(Cl)cc3)nn12 169778479 ZAIXWUYNFBKLNZ-UHFFFAOYSA-N 412.280 3.957 0 50 HHAA C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1)C(=O)O 170594910 ASLMHQCBUYMHKO-JTQLQIEISA-N 405.369 3.909 0 50 HHAA COc1ccc(NS(=O)(=O)c2cc(F)ccc2OCC2CC2)c(C(F)(F)F)n1 170617343 WROFPVMZSSKORU-UHFFFAOYSA-N 420.384 3.838 0 50 HHAA COc1cccc2[nH]cc(CCNC(=O)N3C[C@@H](n4cccn4)Cc4ccccc43)c12 225646883 AUDCPQOOZZQFMR-IBGZPJMESA-N 415.497 3.929 0 50 HHAA C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[C@@H](O)CO[C@H]1CCCc3ccccc31)C2=O 245266945 KUPSUZJFKVBUJG-RUSORYGASA-N 414.546 3.578 0 50 HHAA CC[C@H]1CN(CC(=O)NCc2cnc3ccccc3c2)Cc2cc(OC)ccc2O1 299774833 IRSXQZOPFJNIST-FQEVSTJZSA-N 405.498 3.533 0 50 HHAA COc1cc(NC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)ccn1 806662509 DALWKTIZVSJCAK-UHFFFAOYSA-N 411.380 3.504 0 50 HHAA O=C(NCCNC(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1)c1ccccc1Cl 952987499 IBIGOZYDEHXCNY-HXUWFJFHSA-N 417.912 3.552 0 50 HHAA CCN(Cc1nc(C(C)C)no1)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C 952992183 YJJPMBVVOLSOCX-UHFFFAOYSA-N 404.492 3.676 0 50 HHAA O=C(NCc1nn2c(c1C(=O)O)CCC2)OCC1c2ccccc2-c2ccccc21 1775956682 KEWBBYPJHMMVMT-UHFFFAOYSA-N 403.438 3.566 0 50 HHAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NC1(c2cc(F)ccc2F)CC1 1857707864 NJYCKONVMCUIEN-CQSZACIVSA-N 412.440 3.913 0 50 HHAA Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(Cl)cc1Cl 643280 DFURKKJXHFDHDI-UHFFFAOYSA-N 412.277 3.836 0 50 HHAA CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2F)cc1 944375 LNEKJQPMUZONGO-LJQANCHMSA-N 421.432 3.522 0 50 HHAA C[C@@H](NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3)c1ccccc1 1156361 YDJUPSFRHSYOOK-CYBMUJFWSA-N 413.568 3.843 0 50 HHAA O=C(c1cccc(Br)c1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 1211780 VALJIBFIAHTUET-MRXNPFEDSA-N 413.193 3.950 0 50 HHAA Cc1ccc(Cn2cc(-n3c(S)nnc3-c3cc(C(F)(F)F)n(C)n3)cn2)cc1 2808352 ZIJUWZJVZFZUJG-UHFFFAOYSA-N 419.436 3.529 0 50 HHAA CCOc1ccccc1NC(=O)CS[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 2882953 VVPSAPYNZJKIAL-LJQANCHMSA-N 412.511 3.706 0 50 HHAA CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O 3792417 PYNXFZCZUAOOQC-UTKZUKDTSA-N 411.498 3.835 0 50 HHAA fda O=C1C[C@H](N2CCC(Nc3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 4594145 RONKPWXRKIXARG-IBGZPJMESA-N 401.869 3.688 0 50 HHAA COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)ON(c3ccccc3)[C@H]2c2ccccc2)cc1 4751594 UJVPADQYHUNJPW-FKBYEOEOSA-N 418.449 3.896 0 50 HHAA O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(CCCn2cccn2)CC1 11661551 VORBEWJQQFFKII-UHFFFAOYSA-N 405.502 3.811 0 50 HHAA COc1cccc(C[C@@]2(CCC(=O)NCCc3c[nH]c4ccccc34)CCC(=O)N2)c1 12038399 VAJDHIKRWUFGMC-RUZDIDTESA-N 419.525 3.507 0 50 HHAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@]2(CCCN(CC3CCCCC3)C2)C1 12373193 NYBDCEWUCXHPMD-DEOSSOPVSA-N 400.611 3.864 0 50 HHAA O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 12744315 JYEFWYNZMKPUNB-YZGWKJHDSA-N 408.542 3.799 0 50 HHAA O=C(CCOc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2F)C1 15005449 QOXSKCDOCRRJLZ-GCJKJVERSA-N 410.489 3.748 0 50 HHAA CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2)CN1Cc1ccccc1Cl 32590471 MPJTUOXLAMSWQD-CTNGQTDRSA-N 403.929 3.736 0 50 HHAA CN(Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@@H]1COc2ccccc2O1 55255010 OTXNYMAEFXHVEH-MRXNPFEDSA-N 419.403 3.951 0 50 HHAA CCc1nc(C)c(C(=O)N2CCC3(CC2)CN(C[C@@H](C)c2ccccc2)C(=O)O3)o1 77487061 FZOHJHGFYWUXCD-MRXNPFEDSA-N 411.502 3.776 0 50 HHAA O=C(NCCC1=CCCCC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 82139247 AIEYWUUNZPCUFT-HSZRJFAPSA-N 410.606 3.765 0 50 HHAA Cc1cc(C)cc(C(=O)NCCn2ccn3nc(-c4cc(C)ccc4C)cc3c2=O)c1 169775937 GPUXWERAIYVHFN-UHFFFAOYSA-N 414.509 3.827 0 50 HHAA CC(C)c1noc(-c2cn([C@H]3CCN(C(=O)c4cccc(C(F)(F)F)c4)C3)nn2)n1 169781412 OACDASNSEXZZFQ-AWEZNQCLSA-N 420.395 3.558 0 50 HHAA CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ccc(-n2cnc3ccccc32)cc1 170594590 ZDILVMWNSLDHFY-VOTSOKGWSA-N 406.486 3.836 0 50 HHAA O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1coc(C2CCOCC2)n1 170597860 YSBBUPWUOVYUSH-UHFFFAOYSA-N 410.430 3.660 0 50 HHAA O=C(O)CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cnc2ccccc2n1 225504334 KLPSZSPNNKVWNO-LJQANCHMSA-N 408.845 3.826 0 50 HHAA CC1(C)C[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)C3CCCC3)c2F)C(C)(C)O1 242242371 XUHWTKANHWLYEC-HNNXBMFYSA-N 415.502 3.757 0 50 HHAA Cc1nc(-c2ccc(S(=O)(=O)N3CCc4cccc(C(=O)O)c43)s2)cs1 253397905 GZHVSUCWIAHOHE-UHFFFAOYSA-N 406.510 3.630 0 50 HHAA COc1ccccc1C1(F)CCN(C(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)CC1 253426526 HIEVBUFBZFNTCN-LVCYWYKZSA-N 406.542 3.616 0 50 HHAA CCO/C=C/[C@](O)(CNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C(F)(F)F 253430067 PSPRWGRQSSHZTM-ZKKXHLJNSA-N 422.329 3.813 0 50 HHAA COc1ccc(OC)c([C@H](O)Cn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c1 263616927 LFVMDXFBDNIYFQ-JOCHJYFZSA-N 419.481 3.531 0 50 HHAA COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H](C)CCOc1ccccc1 427073929 TTWHNVIQFZWESO-VFNWGFHPSA-N 412.461 3.613 0 50 HHAA CC(C)c1ccc(-n2cc(O)c(C(=O)N(C)[C@H]3CCN(c4ccccc4)C3=O)n2)cc1 468612631 ZRKGBFDYUQYJAS-FQEVSTJZSA-N 418.497 3.579 0 50 HHAA COc1ccc(CN(C)C(=O)[C@@H](C)c2nnc(O)c3ccccc23)c2cccnc12 952983937 SPRDODAZIGMMJZ-AWEZNQCLSA-N 402.454 3.654 0 50 HHAA COC(=O)[C@@H](NC(=O)c1ccnn1-c1ccccc1)c1cccc(C(F)(F)F)c1 1288526598 OZEVDXKODHVNHM-KRWDZBQOSA-N 403.360 3.535 0 50 HHAA O=C(c1cccn1C1CC1)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857714178 MFLFJCMKJJCUCN-DEOSSOPVSA-N 415.497 3.501 0 50 HHAA Cc1sc2nc(-c3cccnc3)nc(N[C@H](Cc3ccccc3)C(N)=O)c2c1C 1875253257 NZWAWCLBSBAOIV-QGZVFWFLSA-N 403.511 3.879 0 50 HHAA C=CC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1 1875369363 KDKKVFRQYKLPBR-UHFFFAOYSA-N 417.509 3.820 0 50 HHAA Cc1ccc(Br)c(CS(=O)(=O)N2CCC(c3cc(C)no3)CC2)c1 2325818891 CXZKQBXROJMUSZ-UHFFFAOYSA-N 413.337 3.763 0 50 HHAA Cc1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1 756407 CQGMCGYYDFLSCR-UHFFFAOYSA-N 415.540 3.883 0 50 HHAA CN(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1 915168 VQKGTTAEGJAZKK-AREMUKBSSA-N 414.505 3.803 0 50 HHAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 1113770 HDXULONANHJJCC-SNVBAGLBSA-N 410.904 3.759 0 50 HHAA O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)CSc2ncccn2)C1 11816778 BIHCJTVVNFEEOB-GOSISDBHSA-N 417.534 3.942 0 50 HHAA COc1ccc2c(c1)C[C@H](C(=O)N1CCC(CCC(=O)Nc3ccccc3)CC1)CO2 12200171 WJVRMTWGRVYLEE-FQEVSTJZSA-N 422.525 3.904 0 50 HHAA CC[C@H](C)n1cc(C(=O)NCc2cccs2)c(=O)c(C(=O)N2CCCCCC2)c1 12279179 OSQACTFFXPEEOI-INIZCTEOSA-N 415.559 3.827 0 50 HHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 12434133 RRVDZXIBVHQVIB-JOCHJYFZSA-N 417.456 3.594 0 50 HHAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cscn3)cc2)n1 12574812 ZFBFWMBMJCQKTR-IBGZPJMESA-N 409.515 3.579 0 50 HHAA CCC(CC)CN1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC 14534455 ZLRWQSHEEFDYLT-UHFFFAOYSA-N 400.567 3.569 0 50 HHAA CCCS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 20443602 WMIVKWDDOFUSGG-UHFFFAOYSA-N 415.489 3.559 0 50 HHAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCc3scnc3C)C2)CC1 55281709 FDIYKKQAUGVWHB-HXUWFJFHSA-N 412.603 3.506 0 50 HHAA Clc1cccc(-c2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)c1 65362526 DJZIYDCRLDQFPP-UHFFFAOYSA-N 410.934 3.828 0 50 HHAA Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1 68246140 OVJBNYKNHXJGSA-UHFFFAOYSA-N 407.522 3.986 0 50 HHAA in-vitro Cn1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1-c1ccccc1 95353309 ZDKDTUAYNJOLRC-RBBKRZOGSA-N 400.526 3.824 0 50 HHAA CN1c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C(=O)N2CCC[C@H]21 169765839 ZBOGBCSXJRDVJO-KRWDZBQOSA-N 405.376 3.849 0 50 HHAA Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)CC2)c(C)c1 239173618 OHIHFIOKVVHIOU-ZIIQTJOBSA-N 418.537 3.854 0 50 HHAA CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cc(N)n[nH]1 426667687 WUOGNYBKIHFNRX-HXUWFJFHSA-N 417.513 3.707 0 50 HHAA O=C(CC12CC3CC(CC(C3)C1)C2)N(Cc1ccccc1)[C@@H](CO)Cc1cnc[nH]1 828664417 JQNWSQPEFTUQQM-ZFDSFTMVSA-N 407.558 3.948 0 50 HHAA O=C1CCCN1C[C@H]1CCN(C(=O)c2cccnc2SCC2CCCCC2)C1 1301094329 VNFSCODNKDHOLO-GOSISDBHSA-N 401.576 3.839 0 50 HHAA CC(=O)c1ccc(F)cc1NC(=O)[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1C(C)=O 2325732873 VKLZBTKKXSXRPT-CALCHBBNSA-N 400.381 3.583 0 50 HHAA O=C(O)c1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 858202 RDLGOYXBOAXCEV-UHFFFAOYSA-N 404.378 3.588 0 50 HHAA COC(=O)c1ccc(Cn2nnc(-c3ccc(OCc4ccccc4F)cc3)n2)cc1 1079646 NORVUVIZVPTILE-UHFFFAOYSA-N 418.428 3.893 0 50 HHAA CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)c(OC)c3)N2C1=S 2105908 OFRSGGHMZGCSGZ-DYESRHJHSA-N 421.522 3.648 0 50 HHAA biogenic O=C(O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1 2344716 BLPBYUAREMOSRM-JXMROGBWSA-N 415.037 3.660 0 50 HHAA CN(c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1)S(C)(=O)=O 2855011 XXKPBXPMTBEOOD-UHFFFAOYSA-N 417.712 3.751 0 50 HHAA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C(=O)O)c3ccccc32)cc1 3635181 LDDJBMPSZLFYJZ-OLJONYEBSA-N 409.441 3.630 0 50 HHAA Cc1ccc(CCNC(=O)C[S@](=O)Cc2nc(-c3ccccc3F)oc2C)cc1 5057888 WSSGOPHIHYZWQP-LJAQVGFWSA-N 414.502 3.705 0 50 HHAA CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1c(F)cccc1Cl 9382131 IIGQZAYWHACVIH-KRWDZBQOSA-N 423.897 3.938 0 50 HHAA Cc1ccc2[nH]c(C(=O)NC[C@H]3CCC4(CCN(Cc5ccncc5)CC4)O3)cc2c1 11783005 UONHVQOMXXTMQT-OAQYLSRUSA-N 418.541 3.815 0 50 HHAA COc1ccc(F)c(C[C@]2(CCC(=O)N(C)Cc3ccc(C)cc3)CCC(=O)N2)c1 11786789 HQHQFWPKTCKLKC-XMMPIXPASA-N 412.505 3.773 0 50 HHAA Cc1cc(C)c(CN2CCC3(CC[C@H](CNC(=O)c4cccnc4)O3)CC2)cc1C 11970945 CWZWVJIXZPGYTH-HSZRJFAPSA-N 407.558 3.950 0 50 HHAA COc1ccc(CCC(=O)N2CCC3(CC2)C[C@H]3C(=O)Nc2ccccc2)cc1OC 12280073 FBMQUMDYYGVLOY-FQEVSTJZSA-N 422.525 3.904 0 50 HHAA Cc1ncccc1C(=O)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 12297343 WCHOQJXGFAIAGS-QGZVFWFLSA-N 411.933 3.744 0 50 HHAA CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12317976 XHHVFPIFKNSBSN-XMMPIXPASA-N 423.557 3.766 0 50 HHAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 14540920 DCQXSNVOTJBAIK-UHFFFAOYSA-N 402.498 3.597 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)n2)ccc1C 16650998 ARCBZOUPDINRLQ-UHFFFAOYSA-N 424.888 3.778 0 50 HHAA O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 17082489 UDLVDBPNXKKGGT-KGLIPLIRSA-N 402.516 3.515 0 50 HHAA CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1CC2 19338452 ZVWHBOUJAFWVEB-UHFFFAOYSA-N 423.513 3.741 0 50 HHAA biogenic CO[C@H]1CCCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 55244901 GKFDKSXLDNKBGZ-NRFANRHFSA-N 420.557 3.568 0 50 HHAA Cc1ccc(CN2CCC(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2)cc1 67622844 DVSFXORUFKKWRS-UHFFFAOYSA-N 406.574 3.598 0 50 HHAA C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O 100548063 ATYQIUHYOIPPCZ-WBMJQRKESA-N 405.235 3.974 0 50 HHAA O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 239090986 HOBQGCIXASHARF-GHDARCQNSA-N 413.832 3.509 0 50 HHAA CC(=O)[C@@H]1[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@H]2C=Cc3cc(C)ccc3N12 248378489 JRJFEBNWTRACFP-YYTDSSBASA-N 400.478 3.591 0 50 HHAA Cc1nc(C)c(-c2csc(NC(=O)C(=O)N3CCC[C@H]3c3ccncc3)n2)s1 328596680 OTMQDBIUXOOWSF-HNNXBMFYSA-N 413.528 3.581 0 50 HHAA COC1(C)CN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)C1 777440665 PSDZRDWYBSHJFV-UHFFFAOYSA-N 412.287 3.920 0 50 HHAA CC(C)c1ccc(N2C[C@@H](C(=O)NCc3cccc(-n4cccn4)c3)CC2=O)cc1 822264169 PCQBEPZSHXORBY-FQEVSTJZSA-N 402.498 3.665 0 50 HHAA Cc1c(CN2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)oc2ccccc12 1857682652 YFZNTQKVYRYGDN-ZEQRLZLVSA-N 408.546 3.903 0 50 HHAA CN1CC[C@H](CN=c2cc[nH]c(-c3ccc(F)cn3)n2)[C@@H]1c1ccc(Cl)c(F)c1 1875334979 NMCKGOXMSZNLNC-VLIAUNLRSA-N 415.875 3.997 0 50 HHAA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Cc2nc(-c3ccc4nncn4c3)no2)CC1 1875352646 OEUBMZOAQRNCMT-SHTZXODSSA-N 412.494 3.653 0 50 HHAA COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1 598353 TZZGTNZBLPCBIS-UHFFFAOYSA-N 413.949 3.840 0 50 HHAA investigational COc1cccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 821409 UEQFXIGHQMWMBQ-UHFFFAOYSA-N 416.543 3.648 0 50 HHAA Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)NC4=O)cc2)cc1C 1133316 PMGLIXHYCIWPPJ-UHFFFAOYSA-N 416.433 3.997 0 50 HHAA CCOc1cc(/C=c2/sc3nc4c(C)cc(C)cc4n3c2=O)cc(Cl)c1O 1212662 QKASMLCIQKCWOU-CXUHLZMHSA-N 400.887 3.831 0 50 HHAA COc1ccc(C(=O)CN2C(=O)O[C@H](c3ccccc3)[C@]2(O)c2ccccc2)cc1 1422472 PJDQYVLNACAXBY-ISKFKSNPSA-N 403.434 3.917 0 50 HHAA COc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccc(OC3CCCC3)cc2)cc1 4650999 KCMQZLIVXHMEQT-FQEVSTJZSA-N 419.499 3.511 0 50 HHAA Cc1ccc(-c2cnn3c(N4CCN(c5nc(C)cc(C)n5)CC4)cc(C)nc23)cc1 6760213 DHHASLFXJYFNJA-UHFFFAOYSA-N 413.529 3.747 0 50 HHAA COc1cccc(CN2C[C@H](C(=O)N(C)Cc3ccnc4ccccc34)CCC2=O)c1 11937057 ZGWRDPDCSAFWTO-HXUWFJFHSA-N 417.509 3.641 0 50 HHAA O=C(NC[C@@H]1CCCN(Cc2cccc3nonc23)C1)C1(c2ccc(Cl)cc2)CC1 12298880 HHSMNIATYWDCAV-INIZCTEOSA-N 424.932 3.936 0 50 HHAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCc1cc(F)cc(F)c1)CC2 14535120 GZCQYSWHRVNZCZ-FQEVSTJZSA-N 424.495 3.559 0 50 HHAA CC[C@@H](NC(=O)c1cc(COc2ccc(C(C)=O)cc2OC)on1)c1ccncc1 15072429 PRPIFFCOXFUUNL-GOSISDBHSA-N 409.442 3.741 0 50 HHAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@@H]2CC(C(C)C)=NO2)CC1 15075140 GMKNXWXRKGBJSG-NRFANRHFSA-N 414.546 3.982 0 50 HHAA CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(C)c(C)c3)n2)ccc1C 16626193 IIXRHYCGHHPMJI-KRWDZBQOSA-N 418.497 3.994 0 50 HHAA Cc1ccc(-c2csc3ncc(C(=O)N4CCc5ccccc5C4)c(=O)n23)cc1 16650060 JPLFVPYWRJKRGO-UHFFFAOYSA-N 401.491 3.930 0 50 HHAA COc1cc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1F 19841068 KFUBOLGRZBKLLL-OAQYLSRUSA-N 401.501 3.760 0 50 HHAA CCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccc(OC)c(OC)c3)nc21 20603152 SHLHTJMAJAVYJK-UHFFFAOYSA-N 405.401 3.925 0 50 HHAA CCn1cc(Br)c(CN(C)S(=O)(=O)c2ccc(C(C)C)cc2)n1 20608180 FIGQROOIWCHMBS-UHFFFAOYSA-N 400.342 3.610 0 50 HHAA c1ccc(CCc2noc(CN3CCN([C@@H]4CCc5ccccc5C4)CC3)n2)cc1 20784114 RBCYSMKKPFYTLJ-HSZRJFAPSA-N 402.542 3.530 0 50 HHAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)/C=C/c1cc(F)ccc1F 23338006 MCLVXYYYZPJHHB-QPJJXVBHSA-N 405.533 3.633 0 50 HHAA CCOc1ccccc1CN1CCN(Cc2ccc3ncccc3c2)C[C@H]1CCO 104374979 FMCQCQCOAYGEEY-HSZRJFAPSA-N 405.542 3.702 0 50 HHAA O=C(Cn1ncc2ccccc2c1=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 169774008 FACVGGMMIWPJEX-GOSISDBHSA-N 406.873 3.725 0 50 HHAA O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169779850 RPMSXSNNJIENBE-UHFFFAOYSA-N 416.403 3.599 0 50 HHAA Cc1nn2cc(CCCOC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)cnc2c1C 170621425 ZOCZRGOLQPUPKG-AWEZNQCLSA-N 410.499 3.568 0 50 HHAA O=C(Cn1cnc2ccccc21)N(Cc1cccc(OC[C@H]2CCOC2)c1)C1CC1 299759921 PCHMTSJTGFOSAI-IBGZPJMESA-N 405.498 3.643 0 50 HHAA Cn1c(CN2CCC[C@H](c3nn(-c4ccccc4)cc3C(=N)O)C2)nnc1C1CCC1 328606758 SVVQHHFJJFRLJI-KRWDZBQOSA-N 419.533 3.531 0 50 HHAA CN1CC[C@@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)[C@@H](c2cnn(C)c2)C1 849577074 GMDSLCLTSYCIFA-DHIUTWEWSA-N 400.526 3.712 0 50 HHAA Cc1oc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)CC[C@@H]1CCCCO1 952973442 CQOFGVMAHFWATR-LBPRGKRZSA-N 422.425 3.842 0 50 HHAA CN([C@@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1ccnn1C 1475643544 GADDNMITPVXAOF-SFHVURJKSA-N 420.332 3.593 0 50 HHAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCC[C@H](OCc3ccccn3)C2)no1 1506420933 CXDHZKRGAOKNMR-INIZCTEOSA-N 401.898 3.613 0 50 HHAA CC=CC[C@H](CO)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F 1857530857 XKIDYCMBYZHXGI-SNVBAGLBSA-N 423.222 3.650 0 50 HHAA CC(C)c1cccc(N2C[C@H](C(=O)NCc3ccc(-n4ccnc4)cc3)CC2=O)c1 1875255050 JKQMLUOGOAUMLL-HXUWFJFHSA-N 402.498 3.665 0 50 HHAA CCc1c(NC(=O)N[C@@H](C)[C@@H](C)n2cncn2)cnn1-c1ccc(C(F)(F)F)cc1 1875262920 UTINRUDZYKNLKN-QWHCGFSZSA-N 421.427 3.816 0 50 HHAA C=CC(=O)NC[C@@H](NC(=O)[C@H]1COc2ccc(F)cc2C1)c1ccc2ccccc2c1 1875383054 DXDXRULCJKKTRW-IFMALSPDSA-N 418.468 3.690 0 50 HHAA Cc1cc(C)c(OCC(=O)NS(=O)(=O)c2csc(-c3ccccc3)n2)c(C)c1 2325866518 NWXXGLKKPDYUAF-UHFFFAOYSA-N 416.524 3.619 0 50 HHAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)c1C 1088124 RCBKTSYZYLPKRP-RBUKOAKNSA-N 411.483 3.834 0 50 HHAA C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N)c1ccccc1 1160350 PEPZUDFJRSSKQC-NSHDSACASA-N 422.341 3.935 0 50 HHAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3[C@@H](C)CCC[C@@H]3C)c2n1 2781696 BNCMSVCLGLHPSX-RYUDHWBXSA-N 420.439 3.860 0 50 HHAA CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl 2855403 ZTRQZEBFJRSKOT-UHFFFAOYSA-N 403.287 3.682 0 50 HHAA Cc1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(C[C@H](N)C(=O)O)c2)cc1 4899678 USIYUUIKLMCEIP-DEOSSOPVSA-N 411.505 3.986 0 50 HHAA CCOC[C@H](O)CNCc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl 12298997 SRQMMUGAEAQKBM-GOSISDBHSA-N 415.921 3.688 0 50 HHAA Cc1nc2cc(OCc3cc(C(=O)N(CCO)Cc4ccccc4)no3)ccc2s1 12593902 ZDSQFJODFMSZSL-UHFFFAOYSA-N 423.494 3.806 0 50 HHAA O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12757710 LZLUJFLUVHQBFI-KRWDZBQOSA-N 422.422 3.942 0 50 HHAA Sc1nnc(COc2ccc(Br)cc2Cl)n1C[C@@H]1CCCO1 17083045 DMHXXROKEIBCKU-JTQLQIEISA-N 404.717 3.741 0 50 HHAA Cc1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 18271143 BPGLPAIFJLXHAK-UHFFFAOYSA-N 401.919 3.708 0 50 HHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 20166562 IGLVHPCDDMUATD-FQEVSTJZSA-N 410.587 3.824 0 50 HHAA COc1ccc(CNC(=O)c2ccc(-c3ccsc3)nc2N2CCOCC2)cc1 20451061 KVADRRFRFUIGNM-UHFFFAOYSA-N 409.511 3.585 0 50 HHAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)c1cccc(OC)c1 39515753 ZMTPQCBDNSCPOV-UHFFFAOYSA-N 423.513 3.607 0 50 HHAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@@H]2CCc3ccccc32)c1 77351958 LZXSGFYOQMNFQV-JOCHJYFZSA-N 408.498 3.502 0 50 HHAA CCOc1ccc2c(C)c(C(=O)N3CCC[C@H](CCC(N)=O)C3)oc2c1OCC 91547967 SQRCRPUKSUNIFR-OAHLLOKOSA-N 402.491 3.656 0 50 HHAA COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccc(F)cc3)C2)c1 170615615 INQUCXVNZJQNED-HXUWFJFHSA-N 414.433 3.776 0 50 HHAA COc1ccccc1[C@H](NC(=O)OC(C)(C)C)c1noc([C@@H](C2CC2)N(C)C)n1 252499992 SLKZYRPWVDKMDE-DLBZAZTESA-N 402.495 3.705 0 50 HHAA CC[C@H](C)[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O)c1nc2ccccc2[nH]1 252540212 PBKGTTSTTRCDRN-YHJVDBJQSA-N 419.485 3.557 0 50 HHAA CC(C)(C)OC(=O)N1CCN(C2CCC(NC(=O)c3cc(F)ccc3F)CC2)CC1 253429438 SGHLJIHASAUEOR-UHFFFAOYSA-N 423.504 3.559 0 50 HHAA Cc1ccc(Cl)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 497535610 WFOIENVSYSTRGC-UHFFFAOYSA-N 410.898 3.827 0 50 HHAA O=S1(=O)N(C[C@@H]2CC2(Cl)Cl)c2ccccc2N1C[C@H]1CC1(Cl)Cl 913549348 QMLFJGALGOVRPU-AOOOYVTPSA-N 416.157 3.945 0 50 HHAA Cn1cnc2cnc(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)nc21 1165101078 SCJNXMOZLDAZAI-NRFANRHFSA-N 418.932 3.928 0 50 HHAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N(CCO)Cc1ccc(F)cc1)O2 1506422293 PVCZTSWXCIQAMV-QHCPKHFHSA-N 401.478 3.561 0 50 HHAA O=C(c1ccc2nccnc2c1)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857671513 ZRNJZPBBOANSMP-DENIHFKCSA-N 403.482 3.517 0 50 HHAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ccc(C(F)(F)F)nc1)CC2 1857714065 KDFJKERSOJMZSR-UHFFFAOYSA-N 400.404 3.742 0 50 HHAA O=C(O)c1ccc(S(=O)(=O)NCc2ccc(OCc3ccccc3)cc2)cc1F 1875265524 VVMKZQDMZWOJDC-UHFFFAOYSA-N 415.442 3.581 0 50 HHAA CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 1875344194 GYAFRACBTNNFJY-VXKWHMMOSA-N 408.542 3.892 0 50 HHAA Cc1nc(C)c(C(=O)N2CCN([C@H](COc3ccccc3)c3ccccc3)CC2)o1 2100543159 NFYAHWFUPCZYAA-JOCHJYFZSA-N 405.498 3.870 0 50 HHAA O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1 866147 YSGVMHGOUNYZCT-UHFFFAOYSA-N 421.902 3.554 0 50 HHAA CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@H]1c1cc(C)ccc1C 1062080 OAZUYVHBKGGAJN-QFIPXVFZSA-N 405.498 3.537 0 50 HHAA O=S(=O)(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 1152302 AZDGHBCHIHIHMJ-UHFFFAOYSA-N 422.915 3.942 0 50 HHAA Cc1ccn(Cc2nnc(S)n2-c2cnn(Cc3ccc(Cl)cc3Cl)c2)n1 2808571 SXPKXBBISMBYLD-UHFFFAOYSA-N 420.329 3.661 0 50 HHAA CN1CCC(N2C[C@@H]3C[C@@H](c4ccccc4C(F)(F)F)N4CCC[C@@]34C2=O)CC1 11816722 BMUFMCCPAAOOCS-ZRCAFCQKSA-N 407.480 3.537 0 50 HHAA COc1ccc2c(c1)O[C@H](C)CN(CC(=O)N(C)Cc1nc3ccccc3s1)C2 12123734 CTPGJHXBLPCOIB-OAHLLOKOSA-N 411.527 3.546 0 50 HHAA COCCCNC(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C 12163871 CPZKFPDSEUGXAG-UHFFFAOYSA-N 423.542 3.902 0 50 HHAA c1ccc(CN(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)nc1 12308506 NJPIXUSARONFBC-AREMUKBSSA-N 405.586 3.942 0 50 HHAA O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12429345 QZOMLJMDFNQETF-MRXNPFEDSA-N 424.394 3.779 0 50 HHAA Cc1cc(CNC(=O)c2c(CC3CCCC3)n(Cc3cccnc3)c(C)cc2=O)on1 14997993 KXSVPOAZGBFXJV-UHFFFAOYSA-N 420.513 3.559 0 50 HHAA C[C@H]1CN(CCC(=O)N2CCC(Oc3ccccc3F)CC2)Cc2ccccc2O1 15004128 SXCLYLMIANEXIV-SFHVURJKSA-N 412.505 3.869 0 50 HHAA COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccc(SC)cc2)CC1 19781717 TYBAKKFHVSVKDH-UHFFFAOYSA-N 402.560 3.752 0 50 HHAA Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1nn(C)cc1C(=O)O 20602577 JLKVQCNRVCGHAI-UHFFFAOYSA-N 422.272 3.539 0 50 HHAA COc1cc([C@H](c2ccc(C(F)(F)F)cc2)N2CCNCC2)cc(OC)c1OC 22125136 ZDEIQJMNUOZCPA-IBGZPJMESA-N 410.436 3.726 0 50 HHAA CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CCN(C[C@@H]2CC=CCC2)CC1 39544240 GXURHFUZUZWSSM-GOSISDBHSA-N 423.550 3.744 0 50 HHAA NS(=O)(=O)c1ccc(CCn2cnc(-c3ccccc3)c2-c2cccnc2)cc1 65458747 IKEUKNOVJRPMDW-UHFFFAOYSA-N 404.495 3.502 0 50 HHAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 100394925 FQKVCURUSVXQAR-VUKUWZNJSA-N 414.811 3.719 0 50 HHAA CC1CCC(NC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)CC1 169760217 RHNJJTJIKXTKBY-UHFFFAOYSA-N 418.541 3.732 0 50 HHAA COc1ccccc1-c1nc(-c2nnn3c2CO[C@H](c2ccccc2Cl)C3)no1 169769208 LVZISEVNMQJXGN-KRWDZBQOSA-N 409.833 3.929 0 50 HHAA COC(=O)CCN(Cc1cccc(Br)c1)c1nccc(C(F)(F)F)n1 170611236 CAHASXBMRACHMB-UHFFFAOYSA-N 418.213 3.828 0 50 HHAA O=C(CCn1ccc2ccc(Br)cc21)NC[C@H]1CC[C@H](C(=O)O)CC1 245257235 XIUNFXZKIOHACZ-CTYIDZIISA-N 407.308 3.801 0 50 HHAA CC(C)N(CCCOC(=O)CCC(=O)c1ccc2c(c1)OCCO2)CC(F)(F)F 252552864 VCBBRUJRSCGJIF-UHFFFAOYSA-N 417.424 3.627 0 50 HHAA COc1ccc2cc(CNCCc3ccc(F)cc3)c(N3CCC[C@H](CO)C3)nc2c1 299796105 NKTAIXLYAMSGHJ-IBGZPJMESA-N 423.532 3.924 0 50 HHAA COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@H](C)c2nc3ccccc3n2C)cc1 334162684 WTXFVLMFRVOHBL-OAHLLOKOSA-N 403.486 3.700 0 50 HHAA O=C(Nc1ccn(CC(F)F)n1)NC(Cc1ccccc1F)Cc1ccccc1F 437766528 UBQIZBFYNQTFHM-UHFFFAOYSA-N 420.410 4.402 0 50 HHAA COC(=O)c1cc(CN2CCN(C(=O)CCCc3ccccc3)CC2)c(C)s1 464865007 VKOYKVNDMTXQJN-UHFFFAOYSA-N 400.544 3.510 0 50 HHAA Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC(c2nc3cccc(F)c3[nH]2)CC1 1875259731 OFPNMCJXDKQGKH-QGZVFWFLSA-N 408.521 3.937 0 50 HHAA O=C(CCc1cncc(Br)c1)N(Cc1ccccc1)[C@H](CO)C1CC1 1875330016 JTCBOGVYZRJNMD-LJQANCHMSA-N 403.320 3.576 0 50 HHAA C[C@@H](C1CCOCC1)n1nc(-c2ccncc2)nc1[C@@H]1CCO[C@H]1c1ccncc1 1875348680 YWIZUZLCYAGBMV-DQLDELGASA-N 405.502 3.968 0 50 HHAA Cc1cncc(C(=O)N2CC([C@H]3CCCCN(C(=O)c4ccc5c(c4)CCC5)C3)C2)c1 1875360966 OEMJBEBSESLFFQ-QFIPXVFZSA-N 417.553 3.893 0 50 HHAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc(-c4ccc(C)o4)[nH]n3)C2)[C@@H]2CCCC(=O)N12 2356157779 QIULEFRRWVOILO-JSJNYSNDSA-N 410.518 3.620 0 50 HHAA O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1ccc(I)cc1 639158 BUVRDENDPPDSKC-UHFFFAOYSA-N 424.625 3.537 0 50 HHAA Cc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1Cl 708699 CVOOCRPSZYGVTL-IBGZPJMESA-N 418.324 3.756 0 50 HHAA Cc1cc(-c2ccccc2)nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn12 829525 ASFLTSMNCCHSLI-UHFFFAOYSA-N 415.472 3.806 0 50 HHAA O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 1430087 QQOLHYFNMCCTGL-UHFFFAOYSA-N 403.262 3.826 0 50 HHAA O=C1N[C@H](c2c(F)cccc2Cl)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 2459085 MQQPRDGKIBHENW-JJRVBVJISA-N 416.758 3.583 0 50 HHAA COc1ccc(/C=C/C(=O)NCC(C)(C)CNC(=O)/C=C/c2ccc(OC)cc2)cc1 2749080 JXLCPZXCOWDOFS-KAVGSWPWSA-N 422.525 3.689 0 50 HHAA NS(=O)(=O)c1cccc(NC(=O)c2cccc3c(Br)cccc23)c1 4162693 YOEAXWNWFAADSH-UHFFFAOYSA-N 405.273 3.502 0 50 HHAA COc1cc(C[C@]2(CCC(=O)N(C)Cc3ccsc3)CCC(=O)N2)ccc1F 11788864 IMQOJAMYJSJOOV-OAQYLSRUSA-N 404.507 3.526 0 50 HHAA Cc1cc(C)n(CCC(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ccncc4)c3O2)n1 12079503 RXJZXOPUZHDGGD-IBGZPJMESA-N 410.905 3.725 0 50 HHAA O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 12404187 AXKQSMSSPPGZII-UHFFFAOYSA-N 416.477 3.844 0 50 HHAA O=C(NCc1c[nH]nc1-c1ccc(Cl)cc1)[C@H]1CCC(=O)N(C2CCCC2)C1 12433796 FCLCGKFBSUVWHI-HNNXBMFYSA-N 400.910 3.528 0 50 HHAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cc1csc(C)n1 12704257 PWDDMMDAUVYIOL-LJQANCHMSA-N 403.567 3.936 0 50 HHAA C[C@@H](CC1(C)CC1)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 12704995 NJGZXEODDWLLPA-IBGZPJMESA-N 401.595 3.742 0 50 HHAA Cc1nn(C)cc1-c1cc(C(=O)O)n2nc3nc(C(F)(F)F)cc(C4CC4)c3c2n1 13645400 CLCPAMUTJOIAGW-UHFFFAOYSA-N 416.363 3.581 0 50 HHAA O=C1CN(C2Cc3ccccc3C2)C[C@@H](OCc2ccccn2)CN1C1CCCCC1 14531590 XDDPWSDYICWHCV-RUZDIDTESA-N 419.569 3.611 0 50 HHAA CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)C1 14531845 OHYBQFRJUFKKAJ-VQTJNVASSA-N 411.521 3.819 0 50 HHAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 14543518 MHUPHIYDTQVUNO-HXUWFJFHSA-N 420.557 3.722 0 50 HHAA O=C(c1ccco1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 15066500 ZMVVZYZJWLEGKD-HXUWFJFHSA-N 400.494 3.952 0 50 HHAA COc1ccccc1[C@@H](C)N(C)Cc1nc(-c2ccc(OC)c(OC)c2OC)no1 15071196 RVAUWSVISNUKKO-CQSZACIVSA-N 413.474 3.964 0 50 HHAA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)[C@H](C(=O)O)C1 17082480 HMUFGBIGWBOOGP-HUUCEWRRSA-N 402.516 3.515 0 50 HHAA CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 19884310 HBWOOSBWRJGZLK-ZIAGYGMSSA-N 420.506 3.779 0 50 HHAA CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)n1nc(-c2ccc(C)cc2)ccc1=O 20095573 DXRREFYCHSQYDW-IBGZPJMESA-N 407.470 3.826 0 50 HHAA COc1cccc(CN2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)c1 20274256 FBJZUHMGHJQOSX-UHFFFAOYSA-N 408.329 3.758 0 50 HHAA CCOc1ccccc1NC(=O)CC(=O)N(Cc1ccccc1F)[C@@H](C)COC 55089451 IMNWXNZGEJJOHU-INIZCTEOSA-N 402.466 3.617 0 50 HHAA COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCNC(=O)CC2)cc1OC 72479175 UVIRDTRBTISQAJ-UHFFFAOYSA-N 405.498 3.549 0 50 HHAA CC(=O)N[C@@H](C)CC(=O)Nc1nn(Cc2ccccc2)c2cc(OC(C)C)ccc12 77438203 PNEDTJWPCAXIFN-INIZCTEOSA-N 408.502 3.725 0 50 HHAA O=C([C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCC2(CCCC2)C1 82096862 WUVAGZCQZBCYTP-JOCHJYFZSA-N 410.606 3.551 0 50 HHAA CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2cccc3c2OCO3)C[C@@]1(C)CO 97468995 UOTWNGAPCSZWCF-JZWVFAODSA-N 416.949 3.992 0 50 HHAA COc1ccc2[nH]c([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)nc2c1 170598441 QHFGKCLWIUUIEZ-IERDGZPVSA-N 422.529 3.902 0 50 HHAA CCO[C@@H]1C[C@H](O)C12CCN(c1ccc(-c3ccc(Br)s3)nn1)CC2 225541132 ZKXVZZROHJLFDZ-LSDHHAIUSA-N 424.364 3.724 0 50 HHAA O=C(Nc1ccccc1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCC2 225768330 MHAUZFPQJSLITI-DSIZOQBWSA-N 422.506 3.951 0 50 HHAA C[C@@H]1C[C@@H](O)CCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 230287520 NTWHYCGMRFUCIQ-OXFYSEKESA-N 400.906 3.573 0 50 HHAA C[C@@H]1[C@@H](N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2cccnc2)CCC[C@H]1C 241124217 JGLODEHLJBUCJW-GJYPPUQNSA-N 402.516 3.826 0 50 HHAA C[C@H]1CCC[C@H](OCC(=O)N(C)CCCCNC(=O)CO[C@H]2CCC[C@@H](C)C2)C1 252511729 KCTYKTUAQBKKBX-ANULTFPQSA-N 410.599 3.532 0 50 HHAA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 445820502 TWCXKUROQXRNIQ-TUKIKUTGSA-N 413.444 3.523 0 50 HHAA Cc1cc2c(cc1C)[C@H](C(=O)N1CCC(c3nc(-c4ccccn4)no3)CC1)CO2 471776606 YFAGULMKCMWVGY-GOSISDBHSA-N 404.470 3.631 0 50 HHAA CC(=O)N1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC12CCCCC2 498614186 IVVIULREVDFUTN-UHFFFAOYSA-N 406.530 3.757 0 50 HHAA COc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)c(OC)c1OC 824525135 SMSWOUDZDUWUDE-UHFFFAOYSA-N 400.475 3.801 0 50 HHAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(C(=O)[C@H]2C[C@H]3CCCCN3C2)C1 952894635 SPOYUDULDICBRL-LAUBAEHRSA-N 410.537 3.797 0 50 HHAA COc1cc(-c2onc(N(C)C)c2C(=O)N(C)CCC[C@H]2CCCO2)ccc1F 1704327282 REZSUEJKSSVRRK-HNNXBMFYSA-N 405.470 3.587 0 50 HHAA O=C(c1cc2c(O)ncnc2cn1)N1CCCc2cc(OCc3ccccc3)ccc21 2325744172 FCIKICHJQIYRAD-UHFFFAOYSA-N 412.449 3.902 0 50 HHAA O=C(O)c1ccc(CN2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3Cc2ccccc2)cc1 2356159243 RSNXHXYIEJDOSA-SBFWRKJZSA-N 418.537 3.829 0 50 HHAA O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NCc1ccc2c(c1)OCO2 811900 FJPXUAPYKZDUQB-UHFFFAOYSA-N 402.406 3.510 0 50 HHAA Cc1sc2nc(SCC(N)=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c2c1C 1154388 OVJFSWGZYOFAEL-UHFFFAOYSA-N 414.339 3.948 0 50 HHAA Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3n3c(-c4ccco4)nnc23)cc1 2365253 KJAMIMWJKVHMGF-UHFFFAOYSA-N 419.466 3.671 0 50 HHAA CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1 2877927 XRHBPZOPGMBMPY-UHFFFAOYSA-N 400.422 3.575 0 50 HHAA CCOc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)cc1 4758047 HEDJOMMVEZIKDD-UHFFFAOYSA-N 417.508 3.719 0 50 HHAA CN(C)c1ccc(C(=O)N2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 11665165 ORRRKVAVYBHWTD-UHFFFAOYSA-N 409.534 3.555 0 50 HHAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2cccnc2)O3)c1 11996122 OJGQZBXITCAXBS-IBGZPJMESA-N 422.868 3.922 0 50 HHAA CSc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)[C@H]2Cc4ccccc4O2)CC3)cc1 12054745 IMQMOJQGWUYOAN-PZJWPPBQSA-N 422.550 3.979 0 50 HHAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)c1 12304301 LWKXITQDLXPELL-IBGZPJMESA-N 423.557 3.710 0 50 HHAA CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CSc2ccccn2)CC1 12449508 JPBFIHPSMZEDCA-UHFFFAOYSA-N 411.571 3.851 0 50 HHAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cnn(CC)c2)C1 12458210 IXBFKCAPRDJKEG-NRFANRHFSA-N 403.910 3.585 0 50 HHAA CC(=O)Nc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cc1 12582391 XDACXLVVHRHSPQ-QHCPKHFHSA-N 417.513 3.824 0 50 HHAA Cc1ccn(CC(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1 12596364 XLIIZHOTGGYYTK-HXUWFJFHSA-N 420.488 3.875 0 50 HHAA COc1ccc(C[C@@]2(CCC(=O)NCc3ccc(Cl)s3)CCC(=O)N2)cc1 15002216 MLCYWLLUNUVQPY-HXUWFJFHSA-N 406.935 3.698 0 50 HHAA CN(Cc1cc(-c2ccccc2)[nH]n1)C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 15066515 PJZRNQWXAIPARJ-UHFFFAOYSA-N 424.867 3.781 0 50 HHAA O=C(O)c1ccccc1C(=O)c1ccc(Cl)c(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 15724035 CESIRSTWILZTFW-GASCZTMLSA-N 409.825 3.725 0 50 HHAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(c2ncccn2)CC1 55099711 BAWBFKKYYQKHJV-UHFFFAOYSA-N 403.408 3.781 0 50 HHAA Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3snnc3C)cc2)n1 65365654 FHXMJBPXGFXADW-UHFFFAOYSA-N 409.519 3.931 0 50 HHAA COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(C(F)(F)F)n1 170600370 AQFZOQAJYVZAHY-SNVBAGLBSA-N 413.783 3.754 0 50 HHAA O=C(CCCC(=O)N1CCN(CC(F)(F)F)CC1)c1ccc(Br)cc1 225551172 PRQAEQNSZWYXAW-UHFFFAOYSA-N 421.257 3.509 0 50 HHAA C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n(C)n1)[C@@H]1C[C@H]2CC[C@H]1C2 248261121 QPPGMHIYLRSRQW-NPFOMWILSA-N 412.578 3.529 0 50 HHAA COCCn1c([C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)nc2ccccc21 252510358 ZIFRMZCMWICMJC-GOSISDBHSA-N 407.514 3.608 0 50 HHAA Cc1c(C(=O)O)cc(Br)cc1S(=O)(=O)N(C)c1cc(F)ccc1F 476418586 ZLBWFFFNEUHKMO-UHFFFAOYSA-N 420.231 3.559 0 50 HHAA Cc1nc2ccccc2n1CCC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 548446930 RIAFRBBUZUHCED-UHFFFAOYSA-N 404.514 3.677 0 50 HHAA CN1CCN(c2ccc(C(=O)Nc3ccc(N4CCCC4)c4ncccc34)cc2)CC1 823792684 HZQJGNBETYUTBL-UHFFFAOYSA-N 415.541 3.839 0 50 HHAA Cc1noc(-c2ccc(S(=O)(=O)N(C)Cc3nc4ccc(Cl)cc4[nH]3)o2)c1C 952969661 QAUPZXZYCHBQFF-UHFFFAOYSA-N 420.878 3.902 0 50 HHAA Cc1cc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3c3ccc(CN(C)C)cc3)o2)on1 952979318 UNPPTHOGYXBXQY-GOSISDBHSA-N 415.515 3.830 0 50 HHAA O=C(C[C@@H]1CCc2ccccc21)N1CCCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 1775982010 ZVPHRHPVQAJZEG-IBGZPJMESA-N 404.514 3.824 0 50 HHAA CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1nc2cccnc2[nH]1 1875252840 ZBSJUHFNTCKGKU-MRXNPFEDSA-N 421.284 3.763 0 50 HHAA O=C(Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1)c1cnc(-c2ccccc2)nc1 1875261533 MOUNPZGKUPQWNY-UHFFFAOYSA-N 422.388 3.657 0 50 HHAA Cn1nnc([C@H]2CN(Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)CCO2)n1 2100548337 XYCWNVLJHJQFII-GOSISDBHSA-N 419.407 3.595 0 50 HHAA CC(C)(C)OC(=O)N1CCN[C@H](c2cnn(-c3ccc(Br)cc3)c2)C1 2325805732 NSSPXNWCUPAFSM-INIZCTEOSA-N 407.312 3.516 0 50 HHAA CCn1ncc2ccc(NC(=O)C[C@@H](CN)c3ccc(Br)s3)cc21 2325862288 OWIYHEYTCHTEOK-LBPRGKRZSA-N 407.337 3.951 0 50 HHAA Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCC3 752957 SDDOZVVNEWFNEV-UHFFFAOYSA-N 413.524 3.990 0 50 HHAA COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)cc1 755179 ZSYDBEBWYNCNFU-UHFFFAOYSA-N 402.406 3.757 0 50 HHAA COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O 1108981 UXGHEFPESOPHEV-UHFFFAOYSA-N 417.314 3.715 0 50 HHAA O=C(CCSc1nnnn1-c1ccccc1)Nc1ccc(Cc2ccncc2)cc1 6670040 ZQLMAAUNDLMRCY-UHFFFAOYSA-N 416.510 3.769 0 50 HHAA CSc1ccccc1OCc1cc(C(=O)N(Cc2nccn2C)C(C)C)no1 12314401 LMLLPPLBIAHUGA-UHFFFAOYSA-N 400.504 3.760 0 50 HHAA O=C(NC[C@@H]1CCCN(Cc2ccc3nonc3c2)C1)c1cccc(C(F)(F)F)c1 12594510 YUXXKZDJCVKSPZ-HNNXBMFYSA-N 418.419 3.884 0 50 HHAA CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCCN(Cc2ccccc2F)C1 12744584 OCIJXYCPLQMMRO-QFIPXVFZSA-N 406.505 3.807 0 50 HHAA CCn1c(C(=O)OC)c(NC(C)=O)c2cc(N[C@@H]3CCc4ccccc4C3)cnc21 14534874 KUEHDEMSBGUIPA-QGZVFWFLSA-N 406.486 3.771 0 50 HHAA Cc1ccccc1CCN1CCC(CN(C(=O)Cn2ccnc2)C2CCCC2)CC1 15074778 YPNSFEUIHZHWSR-UHFFFAOYSA-N 408.590 3.917 0 50 HHAA Cc1ccc(CNC(=O)c2c(NC(=O)CCCC(=O)O)sc3c2CCC3)cc1 17081926 WITLPSBAXRFLBZ-UHFFFAOYSA-N 400.500 3.669 0 50 HHAA CCOC(=O)CN1C(=O)S/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 18254761 MHRPWPWNWLCYMA-WLRTZDKTSA-N 409.261 3.530 0 50 HHAA COCc1ccc(CN2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)o1 19836695 JTFODVSMNAUHED-LJQANCHMSA-N 402.535 3.582 0 50 HHAA Cc1ccc(C)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCCC3)nn2)c1 65363816 QMRJSQNXHPEOSI-SFHVURJKSA-N 402.502 3.662 0 50 HHAA Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]1c1ccccn1 101232121 MJQGWYFYAQTZTH-ACRUOGEOSA-N 403.413 3.580 0 50 HHAA CCOc1ccccc1-c1noc(-c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)n1 169758269 SCSYFFJDKGPHLW-GOSISDBHSA-N 407.405 3.804 0 50 HHAA O=S(=O)(c1cccc(Cl)c1F)N(Cc1cccnc1)c1ccc2c(c1)OCO2 253429997 WAEPOFJZFQCSTP-UHFFFAOYSA-N 420.849 3.998 0 50 HHAA Cc1ccc2c(c1)CN(CCC(=O)N(Cc1c(C)nn(C)c1C)C(C)C)C[C@@H](C)O2 299773708 DJUPVHHIECPROS-GOSISDBHSA-N 412.578 3.756 0 50 HHAA O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1c[nH]nc1-c1ccc(Cl)cc1 442931407 HBULYRXLNDDIMO-SFHVURJKSA-N 400.910 3.784 0 50 HHAA Cc1oc(-c2ccccc2F)nc1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 755623993 ZTUSHCWPULQADS-MRXNPFEDSA-N 415.371 3.603 0 50 HHAA COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)cc1 888103547 MIOSFPFSZMLAKQ-WMIMKTLMSA-N 409.574 3.842 0 50 HHAA CC[C@@H](C)C(=O)Nc1cccc(C(=O)NC2CCN(C3CCSCC3)CC2)c1 952962303 AEBDCBYBGLZBSG-MRXNPFEDSA-N 403.592 3.761 0 50 HHAA CC[C@H](C(=O)Nc1ccnn1C1CCN(C)CC1)n1cc(C(C)=O)c2ccccc21 1506397592 WONFARPRGKFYGV-HXUWFJFHSA-N 407.518 3.897 0 50 HHAA Cc1cc(C)n(-c2ccc(F)cc2CN2CCN(CCOc3ccccc3)CC2)n1 1506408042 BETFYELNIRFBGX-UHFFFAOYSA-N 408.521 3.825 0 50 HHAA O=C(Nc1cc(F)ccc1F)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857693206 MTQAKJFKLUTCQA-NRFANRHFSA-N 400.429 3.850 0 50 HHAA CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 789445 JPGIWBBJCVMZGY-UHFFFAOYSA-N 422.934 3.778 0 50 HHAA COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 804683 AEKMRWWYTNUQOU-UHFFFAOYSA-N 408.907 3.776 0 50 HHAA C[C@H](C(=O)NC1CCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 1137144 CJDFBONZMQLNAO-MRXNPFEDSA-N 402.516 3.692 0 50 HHAA Cc1ccc(C)c(N2C(=O)[C@@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@@H]3C2=O)c1 1195602 LIZOMENHPWXLET-ZOVQAKDCSA-N 409.485 3.847 0 50 HHAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2739066 XPQRTZDIRPPNBW-FGZHOGPDSA-N 406.526 3.811 0 50 HHAA COc1ccc(OC)c(-c2csc(NC(=O)c3nn(C)cc3Br)n2)c1 2755078 FLRPWKKLQDLEOD-UHFFFAOYSA-N 423.292 3.576 0 50 HHAA COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc(C(=O)N(C)C)c1C 4894156 MKVCVPPLLNOLLI-UHFFFAOYSA-N 404.532 3.700 0 50 HHAA Cc1c(Cl)cccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1 6211244 FNTBHBHNUZGCFX-UHFFFAOYSA-N 415.902 3.877 0 50 HHAA O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697550 ALKFLLLAPPPLMJ-UHFFFAOYSA-N 409.881 3.623 0 50 HHAA Cc1nnc(SCC(=O)N(C)C[C@H]2CCCN(CCc3ccccc3C)C2)s1 11765314 LZBYIISPHJFZRC-GOSISDBHSA-N 418.632 3.660 0 50 HHAA CCn1ccnc1CN1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1 11817813 FRHNSAIWLQSQOG-UHFFFAOYSA-N 423.521 3.589 0 50 HHAA COC(=O)CCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 12054829 DVHBHFHSGUAVDK-GOSISDBHSA-N 412.461 3.623 0 50 HHAA Cc1c(C(=O)NCc2ccc(F)c(F)c2)sc2ncnc(NC[C@H]3CCCO3)c12 12078864 XFNRTSWXGZNGPL-CYBMUJFWSA-N 418.469 3.799 0 50 HHAA C[C@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(CN(C)Cc2ccoc2)c1 12149194 MMUKZBSDIMKJEH-QGZVFWFLSA-N 422.481 3.838 0 50 HHAA CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2)C(C)C 12244613 KOZVLWJFDAFVRL-HSZRJFAPSA-N 411.594 3.758 0 50 HHAA Cn1cc(CN2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)c(-c2ccccc2)n1 12711240 AMNYHIHGDBCMRK-QHCPKHFHSA-N 416.525 3.763 0 50 HHAA COc1cc(OC)c(NC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1Cl 13324853 YXMNGQCJWQGKBU-UHFFFAOYSA-N 405.882 3.833 0 50 HHAA COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)Cc1ccsc1 14993989 PYRQIZHBMMGWGJ-FPOVZHCZSA-N 418.518 3.983 0 50 HHAA Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(N)=O)cc1 17081938 QCQKJJPWRYUPBD-GJZGRUSLSA-N 400.500 3.960 0 50 HHAA O=C(c1cn(CCCc2ccccc2)nn1)N1CCN(Cc2cccc(Cl)c2)CC1 20211843 KISFORNNBWNCOP-UHFFFAOYSA-N 423.948 3.522 0 50 HHAA CCN(CC)CCn1c(=N)n(C[C@@H](O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 22780055 RDABDVRRVUPTQC-HPIWNNMISA-N 410.606 3.841 0 50 HHAA Cc1occc1C(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 95531825 AZLUDENEZUNBQR-LJQANCHMSA-N 401.526 3.643 0 50 HHAA O=C(c1c[nH]n2c1nc(=O)c1ccccc12)N1Cc2ccccc2[C@H](c2ccccc2)C1 115708163 XSOPCTGACPKQIB-QFIPXVFZSA-N 420.472 3.964 0 50 HHAA CCOc1ccccc1C(=O)NCc1nnc2ccc(-c3ccc(C)c(C)c3)nn12 169778600 DEADNOAXVJSNRU-UHFFFAOYSA-N 401.470 3.737 0 50 HHAA COc1ccc([C@H]2Cn3nnc(-c4noc(-c5cccc(Cl)c5)n4)c3CO2)cc1 169780905 VUXFFKZEKBUSGM-QGZVFWFLSA-N 409.833 3.929 0 50 HHAA CC(C)(C)C(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccc(F)cc1 225514327 CBQDWGINBFJVHF-IBGZPJMESA-N 417.506 3.921 0 50 HHAA CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253498092 IAWKZZUGLFNRFG-OWGNLMRPSA-N 404.547 3.708 0 50 HHAA COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)cc1 390827947 MIOSFPFSZMLAKQ-SGKWCMOWSA-N 409.574 3.842 0 50 HHAA COc1ccccc1CNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426690733 SCHWENTZLBMQMF-UHFFFAOYSA-N 411.527 3.850 0 50 HHAA Cc1ccc(N2CC[C@@H](CNC(=O)CCSc3nnc(-c4ccncc4)o3)C2)cc1 952862647 PFUNEYUVJGRPCZ-KRWDZBQOSA-N 423.542 3.565 0 50 HHAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)c1 1446978261 ISUXVIFOKONBJO-SFHVURJKSA-N 401.470 3.616 0 50 HHAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cccc3ccccc23)cn1 1857738729 VYVNKHJAXBEVIJ-ZEQRLZLVSA-N 418.541 3.642 0 50 HHAA C=CC(=O)N1CCC(C(=O)N2Cc3cc(OC)ccc3C[C@H]2c2ccccc2)CC1 1875369352 JPJKYLSRCRRKFF-QHCPKHFHSA-N 404.510 3.746 0 50 HHAA C[C@H](NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccccc1)c1nc2ccccc2s1 2325730805 DAQWXABNCPTICP-CABCVRRESA-N 409.511 3.641 0 50 HHAA CCCOc1ccccc1C(=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356149443 AJQVDXZWJXTBGY-DEOSSOPVSA-N 407.514 3.668 0 50 HHAA CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)NC1=S 683451 CLOGFRBLVIGQLW-YBEGLDIGSA-N 403.301 3.716 0 50 HHAA COC(=O)C1=CN(C2CCCCC2)C=C(C(=O)OC)C1c1ccc(OC)c(OC)c1 816037 LJQWTBMLDILOLA-UHFFFAOYSA-N 415.486 3.550 0 50 HHAA CCN(CC)c1nc(SCCOC(=O)Nc2ccccc2)nc(N(CC)CC)n1 4907091 MFZJWDIBTMJVQW-UHFFFAOYSA-N 418.567 3.905 0 50 HHAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)c1 11816429 GGLZEGTYABZUNU-SFHVURJKSA-N 412.530 3.657 0 50 HHAA CN1CCCN(C(=O)[C@H]2CC23CCN(Cc2cnc(-c4ccccc4)s2)CC3)CC1 12019946 CBBSVIFVSCXGND-OAQYLSRUSA-N 424.614 3.576 0 50 HHAA COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(C)o3)CC2)c(Cl)c1 12072780 VXHNQAPABVSVEW-UHFFFAOYSA-N 406.910 3.661 0 50 HHAA COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1OC 12073540 IWRFYUDAOAOWFC-FQEVSTJZSA-N 421.541 3.964 0 50 HHAA O=C(CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCc2ccccc2C1 12296758 XOZITJDEKUZSCI-UHFFFAOYSA-N 416.525 3.601 0 50 HHAA biogenic CC(=O)n1cc(/C=c2/sc3nc4c(C)c(C)ccc4n3c2=O)c(-c2ccccc2)n1 12462659 SQTODBVWXWCEIY-YBFXNURJSA-N 414.490 3.597 0 50 HHAA COc1ccc(C(=O)N[C@@H](C)c2nccs2)cc1OC1CCN(C(C)C)CC1 12707309 HOQHZOWYMGLXON-HNNXBMFYSA-N 403.548 3.894 0 50 HHAA CCn1c(C(=O)OC)c(NC(C)=O)c2cc(N[C@@H](C)Cc3ccccc3OC)cnc21 14537584 SHHBSSMTKWWMTG-AWEZNQCLSA-N 424.501 3.853 0 50 HHAA COc1ccc(C(=O)N2CCC(Cc3nc(-c4cccc(OC)c4)no3)CC2)cc1 169754828 JIUMVUKLFXINDL-UHFFFAOYSA-N 407.470 3.849 0 50 HHAA Cc1noc([C@H](NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)C(C)C)n1 170625494 RMNIEVLHSOSACF-WOJBJXKFSA-N 405.454 3.959 0 50 HHAA CNC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1Cl 390832815 BYKQIISMVVXTEE-OCCSQVGLSA-N 409.914 3.674 0 50 HHAA Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCC3(c4ccccc4Cl)CC3)c2C)n1 482214066 CIJBLAXZRZATQV-UHFFFAOYSA-N 423.948 3.940 0 50 HHAA COc1cc(Br)cc2sc(NC(=O)CCOC[C@@H]3CCCO3)nc12 1463345712 IOMMFIFKFAWAFL-NSHDSACASA-N 415.309 3.592 0 50 HHAA CC[C@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 1875256039 ZSIJBNUXHSZCRV-SFTDATJTSA-N 405.502 3.679 0 50 HHAA COc1cc2c(cc1OC)CN(C(=O)c1cccc(-c3nncc(C)c3C)c1)CC2 2356134247 GDIQOAUNBCJPFR-UHFFFAOYSA-N 403.482 3.976 0 50 HHAA COc1ccc(F)cc1C(=O)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356146097 RHQSCIGDJDJLNN-XMMPIXPASA-N 410.489 3.674 0 50 HHAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 646705 BPPZFJOSNPTQQL-UHFFFAOYSA-N 422.572 3.715 0 50 HHAA O=C(Cc1cccc2ccccc12)NC(=S)Nc1ccc(N2CCOCC2)cc1 1126163 GWHPCDXZJDOLQU-UHFFFAOYSA-N 405.523 3.732 0 50 HHAA CCOC(=O)[C@@H](C(=O)Nc1ccc(I)cc1)C1CCCCC1 1187260 SDQIJHXFVMMTFY-OAHLLOKOSA-N 415.271 3.989 0 50 HHAA COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 2735120 CGLCSODPASXQPS-UHFFFAOYSA-N 410.495 3.986 0 50 HHAA O=C(c1cccc(OC2CCN(C3CSCCSC3)CC2)c1)N1CCCC1 12091739 IIYHGUKNEIXLOG-UHFFFAOYSA-N 406.617 3.614 0 50 HHAA CCOC(=O)[C@@]1(CCOC)CCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 12475929 XISGKDPRTZVVOW-OAQYLSRUSA-N 405.926 3.708 0 50 HHAA COc1cc2nc(N(C)C)c(CNCCc3ccccc3F)cc2c(OC)c1OC 14955264 SCZVFBYRZHBQKZ-UHFFFAOYSA-N 413.493 3.798 0 50 HHAA CSc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)[C@@H](NC(C)=O)C(C)C)O3)cc1 14970251 XLCXIEUAZWQWBU-UGKGYDQZSA-N 412.555 3.656 0 50 HHAA COC(=O)c1c(NC(=S)N2CCN(CCc3ccccc3)CC2)sc(C)c1C 17091217 UCKXGPOPQMIVPL-UHFFFAOYSA-N 417.600 3.709 0 50 HHAA CSc1cccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)c1 65362820 XYAANXKUAMVFLH-UHFFFAOYSA-N 421.530 3.691 0 50 HHAA COc1cccc(CC(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)n[nH]3)C2)c1 169770257 XUIPKUQRQUUIBF-LJQANCHMSA-N 408.477 3.552 0 50 HHAA COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3Cl)C2)c1 170615613 ACSQOWMOZCFZBW-LJQANCHMSA-N 416.861 3.900 0 50 HHAA O=S(=O)(Nc1ccc(Br)c(O)c1)c1cc(Cl)cc2c1OCC2 170617696 YJBAGTAVKTUZSW-UHFFFAOYSA-N 404.669 3.544 0 50 HHAA CSCC[C@@H](NC(=O)c1sc(-n2cccc2)nc1C)c1nnc2ccccn12 223219770 AUCRVGSUKBISNR-CQSZACIVSA-N 412.544 3.509 0 50 HHAA O=C([C@H]1CC[C@H](O)CC1)N1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 240971744 UCCFHIDCRPXHGE-BJLQDIEVSA-N 406.517 3.576 0 50 HHAA CCOc1ccccc1-c1nc(-c2ccc(CCNS(C)(=O)=O)cc2)cs1 253416291 UYNVXRVGYYPPKM-UHFFFAOYSA-N 402.541 3.968 0 50 HHAA N=C(O)c1c[nH]nc1[C@@H]1CCCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 328608548 ZNVXCLNQVIZSHR-CYBMUJFWSA-N 411.487 3.525 0 50 HHAA COc1ccc(C[C@@H](CO)CNC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1O 480619723 XWPBAPNDQZGRLB-GFCCVEGCSA-N 416.371 3.531 0 50 HHAA Cc1ccc(C(=O)N2CCC(C(=O)NCCOc3c(C)cc(C)cc3C)CC2)cc1 952967449 KPIPJEGTFPQQEL-UHFFFAOYSA-N 408.542 3.968 0 50 HHAA COc1ccc2c(C)c(C(=O)N3CCC[C@]4(CCc5cnc(N(C)C)nc54)C3)oc2c1 1704297680 DYQSCNWLDDULSO-DEOSSOPVSA-N 420.513 3.726 0 50 HHAA COc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)ccc1OC(C)C 1704357828 XPTGEZPJRXXPTG-DENIHFKCSA-N 420.509 3.706 0 50 HHAA O=C(NCc1cc[nH]c1)c1cccc(Cn2cc(-c3cccc4cnccc34)nn2)c1 1875350046 YTNLLJSTXDVXNM-UHFFFAOYSA-N 408.465 3.800 0 50 HHAA Cc1ccccc1[C@@H](C)C(=O)NC[C@@H](C)CNC(=O)CCC(=O)c1cccs1 2325825863 FSINEQBALJHYES-DOTOQJQBSA-N 400.544 3.692 0 50 HHAA NS(=O)(=O)c1c(N[C@@H]2CCc3c(Cl)cccc32)cccc1OC(F)(F)F 2325828366 FLQQZLIJLYATRJ-GFCCVEGCSA-N 406.813 3.985 0 50 HHAA CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N2CCCCC2)cc1 843090 WIIPAXPZIAYNTR-UHFFFAOYSA-N 406.935 3.932 0 50 HHAA CCOc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(Cl)(Cl)Cl)c1 847622 BGPXPGQOVRRHOW-CYBMUJFWSA-N 407.681 3.627 0 50 HHAA CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C(N)=O)c1C 994669 OZSRLENOPJHVAO-UHFFFAOYSA-N 401.271 3.891 0 50 HHAA COc1ccc(OCC(=O)Nc2ccc(I)cc2Cl)cc1 1217294 GQMDFHZYLPDBBP-UHFFFAOYSA-N 417.630 3.971 0 50 HHAA Cc1nc2sc3c(c2c(=O)n1NC(=O)c1cc(-c2ccccc2)on1)CC[C@@H](C)C3 2797100 UMXMZVXEMFGCLJ-GFCCVEGCSA-N 420.494 3.930 0 50 HHAA CCCCOC(=O)c1c(N)n(-c2ccc(C(=O)O)cc2)c2nc3ccccc3nc12 3000069 HEQNREOFNBEFBJ-UHFFFAOYSA-N 404.426 3.811 0 50 HHAA Cc1nnc(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)s1 9426927 HTZSASVMOMEGHF-LBPRGKRZSA-N 423.527 3.609 0 50 HHAA Cn1nccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1 11709845 BDHYTROHWBBMNS-SFHVURJKSA-N 406.461 3.717 0 50 HHAA CC[C@H]1CCCCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 11870864 JQURDRJCRVGWNY-YADARESESA-N 414.521 3.946 0 50 HHAA Cc1c(C(=O)NCc2nccs2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 12028091 IYSBRDDFCJJRRR-UHFFFAOYSA-N 416.510 3.513 0 50 HHAA O=C1CC[C@@](CCC(=O)N2CCC3(C=Cc4ccccc43)CC2)(Cc2ccco2)N1 12165940 HICQYLMYQCUSML-RUZDIDTESA-N 404.510 3.838 0 50 HHAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CC(Cc4ccc(F)cc4)=NO3)c2)n1 12206839 QCVYYCRDPPUXMX-QHCPKHFHSA-N 420.488 3.974 0 50 HHAA CC(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)[nH]n1 12315620 USXWQLBSUGYQRG-QGZVFWFLSA-N 401.466 3.599 0 50 HHAA CCc1ccc(CN(C)Cc2ccc(OC[C@H](O)CN(CC)CC)c(OC)c2)cc1 12571305 FOCDSYQEIKKVDU-HSZRJFAPSA-N 414.590 3.971 0 50 HHAA O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1F 14959107 RSLFTPMNDYTWIQ-KRWDZBQOSA-N 418.896 3.921 0 50 HHAA c1ccc(-c2nc3c(c(N4CCN(Cc5nc6ccccc6[nH]5)CC4)n2)CCC3)cc1 19841986 IPEXWHNZPMDCEN-UHFFFAOYSA-N 410.525 3.831 0 50 HHAA CCOC(=O)c1c(NC(=O)CCN2CCOCC2)sc(C)c1-c1ccccc1 19910757 CGEQTVNVVCVKDH-UHFFFAOYSA-N 402.516 3.561 0 50 HHAA Cc1nc2nc3ccn(Cc4ccccn4)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 38828871 VMZYGVGGDTVTDF-UHFFFAOYSA-N 402.845 3.511 0 50 HHAA Cc1ccc(N2CCC(N3CCC(n4nccc4NC(=O)C4CC4)CC3)CC2)cc1 39537082 MATGDJFCJIKFAV-UHFFFAOYSA-N 407.562 3.846 0 50 HHAA Cc1nn(C)cc1CN(C)Cc1cccc(-c2nc(O)c(C)c(C(F)(F)F)n2)c1 48353773 VCKGLSUGVPVTCC-UHFFFAOYSA-N 405.424 3.850 0 50 HHAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)nn2)nc1 72139189 CQDNKFAXABQEJD-UHFFFAOYSA-N 423.908 3.931 0 50 HHAA C[C@@H]1CN(CCC(=O)N[C@H](C)c2cnn(-c3ccccc3)c2)Cc2ccccc2O1 104412329 LEVBHEHWBXAUTO-RTBURBONSA-N 404.514 3.723 0 50 HHAA COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 137754379 AJAPTWKTHVPRHV-BHDDXSALSA-N 418.424 3.885 0 50 HHAA Cc1nc(N2CCC(C(=O)N[C@@H]3CCc4ccccc43)CC2)cc(C(F)(F)F)n1 169772582 QCHMHJSJAKSRPZ-QGZVFWFLSA-N 404.436 3.824 0 50 HHAA COc1ccc2c(c1)c1cnn(Cc3cccc(OC(F)(F)F)c3)c(=O)c1n2C 170624986 HHVPSOVSFWQKGN-UHFFFAOYSA-N 403.360 3.844 0 50 HHAA CCC[C@@H]1C[C@@H]1C(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1 207582516 DZBLYVQRGAEDPV-VWNXMTODSA-N 412.622 3.653 0 50 HHAA c1ccc(Nc2nc(N/N=C3\CN4CCC3CC4)nc(NC3CCCCC3)n2)cc1 214473110 OSGYXPMNRHRJBR-TURZUDJPSA-N 406.538 3.853 0 50 HHAA COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CC[C@@H](C)OC 225738014 APYUNYLPTMYAGA-SJLPKXTDSA-N 406.523 3.631 0 50 HHAA C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1=O 230021080 VRMDBXIWIXSHAE-NXQMDHLFSA-N 419.525 3.788 0 50 HHAA CSCC[C@@H](C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O 239038478 DGRZESHMUBNKJP-TWWFPWMWSA-N 414.571 3.832 0 50 HHAA Cn1c([C@H](Cc2ccccc2)NC(=O)C[C@@H]2NC(=O)c3ccccc32)nc2ccccc21 253408867 LDSYTBVBYZUWEM-VXKWHMMOSA-N 424.504 3.848 0 50 HHAA O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)cc1 442209751 SSDMWZPBWAJGBF-LEWJYISDSA-N 407.514 3.549 0 50 HHAA CC(C)CNC(=O)C1(NC(=O)c2cc3cc(Br)ccc3[nH]2)CCCC1 1445367461 HFWRMYORDVZBMX-UHFFFAOYSA-N 406.324 3.745 0 50 HHAA O=C(O)c1c(N2CCC[C@@H](C(=O)N3CCCC3)C2)noc1-c1ccc(Cl)cc1 1704312877 AKZGIKIFJWKBRF-CQSZACIVSA-N 403.866 3.532 0 50 HHAA COc1ccc(CCC(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)cc1OC 1857672965 BNWOLVIBVGIATD-UHFFFAOYSA-N 419.525 3.664 0 50 HHAA COCCn1nc(C2CCCC2)nc1C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857675124 LLIWDHWFTLCXBF-MRXNPFEDSA-N 410.522 3.577 0 50 HHAA CC(=O)c1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)s1 1875253635 JVLIYSSYSIFGMS-FQEVSTJZSA-N 406.507 3.859 0 50 HHAA Cc1ncsc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1[C@H]2Cc1ccccc1 2356158638 SSXFHFGCIYCWNT-FYQPLNBISA-N 409.555 3.536 0 50 HHAA CN(CCOCCOc1ccc(I)cc1)Cc1ccccc1 2821938 RWMLLWGBGPKKOJ-UHFFFAOYSA-N 411.283 3.819 0 50 HHAA O=C(C1CCN(Cc2cccs2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 4725550 HELKXUKYXWYUMC-XBXARRHUSA-N 409.599 3.818 0 50 HHAA Cc1nc2ccc(C(=O)N3CCC[C@@H](CNC(=O)c4ccc(F)cc4)C3)cc2nc1C 11764134 GCRXNEGKVHJAJK-KRWDZBQOSA-N 420.488 3.668 0 50 HHAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)c1 11878620 UGGNLCWENYMPQN-SFHVURJKSA-N 400.519 3.563 0 50 HHAA Cn1c(C(=O)N2CCC(CCC(=O)NCc3cccnc3)CC2)cc2ccccc21 11938397 DYXBVCDRUJCLLL-UHFFFAOYSA-N 404.514 3.522 0 50 HHAA C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 11972684 FOBGLFLIBDWHAH-KSSFIOAISA-N 409.873 3.684 0 50 HHAA COc1cc(F)ccc1CN1CCC(C(=O)Nc2ccc(-n3cccn3)cc2)CC1 19866904 OEGXEZHLEMPXLG-UHFFFAOYSA-N 408.477 3.871 0 50 HHAA CCS(=O)(=O)c1ccc(-c2cccc(-c3ccn(C[C@@H]4CCNC4)n3)c2)s1 20211824 GMBKHCGDLASBED-OAHLLOKOSA-N 401.557 3.682 0 50 HHAA CCN(Cc1nccn1C)C(=O)c1cc(-c2cnc(C)nc2)nc2ccc(F)cc12 63835364 UDADHTBHMDASDK-UHFFFAOYSA-N 404.449 3.535 0 50 HHAA CCCOc1ccccc1CN1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 91624855 SZQJVHNYXNLASC-OAQYLSRUSA-N 400.563 3.859 0 50 HHAA COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4cc(F)ccc4F)C3)[nH]n2)cc1 169753675 ACVKNRNEDDMAJI-MRXNPFEDSA-N 412.440 3.762 0 50 HHAA COc1ccc(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)cn1 431914124 ZIYDGNDHSBCUSL-UHFFFAOYSA-N 401.220 3.687 0 50 HHAA Cc1cccc(C)c1OC[C@H](NC(=O)CCc1c(C)nc(O)nc1O)c1ccccc1 755577253 MDGOMLAZCWJUKN-FQEVSTJZSA-N 421.497 3.682 0 50 HHAA CC1(C(=O)N2CC[C@](c3nc(-c4ccccc4)no3)(C(F)(F)F)C2)CCC(=O)CC1 952892910 JQXNNWDWJARFEH-FQEVSTJZSA-N 421.419 3.918 0 50 HHAA O=C(CNC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(Br)c(F)c1 1301905075 LKFBIZXWALHPSY-UHFFFAOYSA-N 422.147 3.957 0 50 HHAA CCCOc1c(CN2CC[C@H]3[C@@H](C2)CN3Cc2cc[nH]n2)cc(Cl)cc1OC 1775981910 DTXLQFDQHOCVLH-LPHOPBHVSA-N 404.942 3.567 0 50 HHAA CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 1875256036 ZSIJBNUXHSZCRV-LEWJYISDSA-N 405.502 3.679 0 50 HHAA COC(=O)c1cn(Cc2nc(-c3cc4ccccc4nc3O)no2)c2ccccc12 1875337427 ULWXGWVGTOSMPD-UHFFFAOYSA-N 400.394 3.780 0 50 HHAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(Cc3nc(C(C)(C)C)cs3)CC2)C1 1875372093 WIAUZJYWSXDRAW-KRWDZBQOSA-N 403.592 3.646 0 50 HHAA CC(=O)c1ccc(F)cc1NC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1C(C)=O 2325732875 VKLZBTKKXSXRPT-IRXDYDNUSA-N 400.381 3.583 0 50 HHAA COC(=O)[C@](C)(CC1=CCCCC1)NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325819949 VWHOSFUWJYMHTI-REIDKSKDSA-N 412.530 3.535 0 50 HHAA